#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt s VAL 2 N 0.00 -0.01 -0.36 1.12 0.11 -1.26 -5.13 120.40 114.87 2kgt s VAL 2 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 2kgt s VAL 2 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2kgt s VAL 2 CO 0.00 0.00 0.85 -0.94 -3.33 0.00 0.00 175.10 171.68 2kgt s SER 3 N 1.26 6.61 0.03 3.54 1.04 -1.26 -4.92 113.70 120.00 2kgt s SER 3 Ca -0.09 0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.65 2kgt s SER 3 Cb -0.03 -2.43 -0.36 0.00 0.10 0.00 0.00 66.02 63.30 2kgt s SER 3 CO -0.13 -0.79 1.00 0.03 0.98 0.00 0.00 173.24 174.33 2kgt h ARG 4 N 8.47 0.55 -6.23 4.02 3.08 -2.02 -3.43 114.38 118.82 2kgt h ARG 4 Ca -0.24 -0.94 -0.56 0.00 0.07 0.00 0.00 59.98 58.31 2kgt h ARG 4 Cb 1.09 0.35 -0.08 0.00 0.08 0.00 0.00 29.97 31.41 2kgt h ARG 4 CO 0.94 1.45 -0.58 -0.51 -1.07 0.00 0.00 179.97 180.20 2kgt s ASP 5 N -7.60 5.22 -1.36 7.04 1.01 -1.26 -4.60 116.67 115.13 2kgt s ASP 5 Ca -0.09 -0.29 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 2kgt s ASP 5 Cb 0.04 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.74 2kgt s ASP 5 CO 0.95 0.03 1.00 1.67 0.21 0.00 0.00 175.17 179.03 2kgt n GLN 6 N -0.62 -6.46 0.11 8.23 0.00 -1.26 -4.91 117.38 112.47 2kgt n GLN 6 Ca -0.08 0.73 -0.24 0.00 -0.00 0.00 0.00 57.00 57.41 2kgt n GLN 6 Cb 0.56 -5.64 -0.15 0.00 0.00 0.00 0.00 30.24 25.01 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kgt h ALA 7 N 0.95 -0.05 0.00 1.69 0.00 -1.83 -3.40 119.26 116.61 2kgt h ALA 7 Ca -0.59 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.34 2kgt h ALA 7 Cb 1.36 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2kgt h ALA 7 CO 0.58 0.77 -1.20 -2.39 0.00 0.00 0.00 179.25 177.01 2kgt n HIS 8 N -3.72 0.00 -0.71 0.00 -0.00 -1.26 -5.05 115.22 104.47 2kgt n HIS 8 Ca -0.20 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.20 2kgt n HIS 8 Cb 1.07 -0.13 0.16 0.00 -0.00 0.00 0.00 29.99 31.08 2kgt n HIS 8 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kgt n LEU 9 N -1.96 -1.23 -4.86 2.39 4.77 -1.26 -4.99 117.00 109.86 2kgt n LEU 9 Ca -0.04 0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 2kgt n LEU 9 Cb 0.44 -1.09 0.17 0.00 -2.33 0.00 0.00 43.42 40.61 2kgt n LEU 9 CO 0.07 -3.31 0.81 -0.83 -1.33 0.00 0.00 177.39 172.80 2kgt s GLY 10 N -1.97 1.70 0.59 -0.72 0.00 -1.26 -4.98 107.32 100.68 2kgt s GLY 10 Ca 0.57 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.18 2kgt s GLY 10 CO 0.66 -0.29 0.52 -1.55 0.00 0.00 0.00 173.10 172.45 2kgt n PRO 11 N -3.84 -2.05 -2.51 2.90 -0.04 -1.26 -5.05 135.00 123.16 2kgt n PRO 11 Ca 0.13 -0.84 -0.25 0.00 -0.04 0.00 0.00 63.50 62.50 2kgt n PRO 11 Cb 0.60 -0.78 0.04 0.00 -0.04 0.00 0.00 33.50 33.31 2kgt n PRO 11 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kgt s LYS 12 N -4.19 2.75 -0.08 0.54 -0.14 -1.26 -4.89 119.74 112.46 2kgt s LYS 12 Ca 0.34 -0.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.71 2kgt s LYS 12 Cb -0.03 -2.34 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 2kgt s LYS 12 CO 0.26 -0.72 -0.16 0.71 -0.76 0.00 0.00 175.35 174.68 2kgt s TYR 13 N -2.92 2.69 -0.04 3.18 2.02 0.10 -2.64 117.35 119.75 2kgt s TYR 13 Ca 0.54 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.73 2kgt s TYR 13 Cb -0.10 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2kgt s TYR 13 CO 0.43 -0.07 0.09 0.08 -1.57 0.00 0.00 175.55 174.51 2kgt s VAL 14 N -0.16 -0.02 0.00 0.71 1.01 0.93 -2.57 120.40 120.29 2kgt s VAL 14 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2kgt s VAL 14 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2kgt s VAL 14 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2kgt n GLY 15 N 3.57 0.65 0.00 4.51 0.00 -1.26 -1.32 105.19 111.34 2kgt n GLY 15 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kgt n GLY 15 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kgt n LEU 16 N 0.00 0.16 0.00 0.99 7.94 -1.26 -3.77 117.00 121.06 2kgt n LEU 16 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2kgt n LEU 16 Cb 0.00 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2kgt n LEU 16 CO 0.00 -0.32 0.00 1.87 -1.11 0.00 0.00 177.39 177.83 2kgt n TRP 17 N -2.03 0.00 -3.44 1.96 -0.00 -1.26 -4.99 117.44 107.68 2kgt n TRP 17 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.23 2kgt n TRP 17 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.23 2kgt n TRP 17 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kgt n ASP 18 N 0.00 3.36 -3.77 5.87 -0.08 -1.26 -0.26 116.55 120.41 2kgt n ASP 18 Ca 0.00 -3.36 -0.13 0.00 -1.51 0.00 0.00 54.79 49.80 2kgt n ASP 18 Cb 0.00 -0.67 -0.11 0.00 2.34 0.00 0.00 41.12 42.68 2kgt n ASP 18 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2kgt s PHE 19 N -2.27 -0.31 -0.51 -0.67 0.08 -1.13 -4.79 117.98 108.38 2kgt s PHE 19 Ca 0.38 0.76 -0.14 0.00 0.12 0.00 0.00 56.93 58.05 2kgt s PHE 19 Cb 0.14 0.11 0.12 0.00 -0.57 0.00 0.00 43.02 42.81 2kgt s PHE 19 CO -0.03 -0.16 0.43 0.15 -0.10 0.00 0.00 175.22 175.51 2kgt s LYS 20 N 0.12 2.81 0.65 0.44 -0.14 -1.26 -3.19 119.74 119.16 2kgt s LYS 20 Ca -0.00 -1.68 -0.00 0.00 -1.36 0.00 0.00 55.97 52.93 2kgt s LYS 20 Cb -0.02 -4.14 0.08 0.00 -1.68 0.00 0.00 37.83 32.07 2kgt s LYS 20 CO 0.00 -1.24 0.90 -1.12 -0.76 0.00 0.00 175.35 173.14 2kgt s SER 21 N 3.14 4.77 -0.00 2.83 0.01 -1.24 -4.94 113.70 118.26 2kgt s SER 21 Ca 0.04 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2kgt s SER 21 Cb -0.28 -0.42 -0.06 0.00 0.21 0.00 0.00 66.02 65.47 2kgt s SER 21 CO 0.02 -1.54 0.10 0.54 0.41 0.00 0.00 173.24 172.76 2kgt n ARG 22 N -2.63 0.73 -2.53 12.44 1.74 -1.26 -4.29 116.66 120.87 2kgt n ARG 22 Ca 0.12 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.88 2kgt n ARG 22 Cb 0.60 -1.05 -0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2kgt s THR 23 N -2.18 4.86 0.23 0.55 -4.23 -1.26 -4.99 115.64 108.62 2kgt s THR 23 Ca -0.01 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 2kgt s THR 23 Cb 0.03 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2kgt s THR 23 CO 0.16 -0.86 1.58 0.44 -0.54 0.00 0.00 174.62 175.40 2kgt h ASP 24 N 0.25 0.48 -0.88 3.99 3.32 -1.96 -2.97 116.42 118.64 2kgt h ASP 24 Ca -0.46 -0.24 0.25 0.00 0.02 0.00 0.00 57.03 56.60 2kgt h ASP 24 Cb 1.20 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2kgt h ASP 24 CO 0.62 0.89 0.63 1.05 -1.72 0.00 0.00 179.24 180.71 2kgt h GLU 25 N 0.35 0.04 -6.41 3.56 4.11 -1.93 -3.33 114.58 110.97 2kgt h GLU 25 Ca 0.02 -0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.81 2kgt h GLU 25 Cb 0.99 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.06 2kgt h GLU 25 CO 0.09 0.03 -0.79 -1.21 0.07 0.00 0.00 179.01 177.20 2kgt s GLU 26 N -5.03 1.62 -0.09 1.06 2.02 -1.12 -3.69 118.70 113.47 2kgt s GLU 26 Ca -0.05 -1.64 -0.10 0.00 0.02 0.00 0.00 54.97 53.19 2kgt s GLU 26 Cb 0.22 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 2kgt s GLU 26 CO 0.77 0.37 0.24 -0.51 0.02 0.00 0.00 175.26 176.15 2kgt s LEU 27 N -3.10 4.39 -1.22 1.80 1.02 -1.26 -4.62 118.68 115.70 2kgt s LEU 27 Ca 0.26 0.62 -0.12 0.00 0.02 0.00 0.00 54.13 54.91 2kgt s LEU 27 Cb -0.06 -2.27 0.18 0.00 0.02 0.00 0.00 46.19 44.06 2kgt s LEU 27 CO 0.13 0.34 1.53 -1.54 0.02 0.00 0.00 176.35 176.82 2kgt n SER 28 N 2.19 5.26 -3.60 2.29 3.41 -1.26 -3.70 113.62 118.21 2kgt n SER 28 Ca -0.17 -3.04 -0.10 0.00 -0.26 0.00 0.00 58.87 55.31 2kgt n SER 28 Cb 0.54 -1.52 -0.02 0.00 -0.26 0.00 0.00 64.21 62.95 2kgt n SER 28 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2kgt s PHE 29 N 0.84 -0.39 0.32 7.33 -0.71 -1.19 -4.85 117.98 119.32 2kgt s PHE 29 Ca 0.41 0.08 0.02 0.00 -1.04 0.00 0.00 56.93 56.39 2kgt s PHE 29 Cb 0.00 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 2kgt s PHE 29 CO 0.00 -1.01 0.50 -0.98 -1.34 0.00 0.00 175.22 172.39 2kgt s ARG 30 N -3.82 3.45 0.58 1.99 1.70 -1.26 -2.84 118.95 118.75 2kgt s ARG 30 Ca 0.05 -0.47 -0.19 0.00 -0.47 0.00 0.00 55.73 54.65 2kgt s ARG 30 Cb -0.03 -2.72 -0.04 0.00 -0.57 0.00 0.00 34.95 31.59 2kgt s ARG 30 CO -0.05 0.21 1.21 0.00 -1.08 0.00 0.00 175.30 175.59 2kgt s ALA 31 N -2.23 2.58 0.00 7.88 0.00 0.64 -3.43 121.76 127.20 2kgt s ALA 31 Ca 0.39 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2kgt s ALA 31 Cb -0.09 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2kgt s ALA 31 CO 0.34 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2kgt n GLY 32 N 0.49 3.01 3.79 0.00 0.00 -1.26 -4.95 105.19 106.27 2kgt n GLY 32 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2kgt n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgt s ASP 33 N -0.66 5.64 -0.03 1.61 2.15 -1.22 -5.01 116.67 119.15 2kgt s ASP 33 Ca 0.00 1.88 -0.08 0.00 0.43 0.00 0.00 52.55 54.78 2kgt s ASP 33 Cb 0.00 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 2kgt s ASP 33 CO 0.00 -1.27 0.26 0.68 -0.17 0.00 0.00 175.17 174.68 2kgt s VAL 34 N -2.37 5.30 0.01 1.11 -7.23 -1.26 -4.60 120.40 111.35 2kgt s VAL 34 Ca 0.65 0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 61.01 2kgt s VAL 34 Cb -0.18 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.23 2kgt s VAL 34 CO 0.37 0.48 0.30 0.72 -0.31 0.00 0.00 175.10 176.66 2kgt s PHE 35 N -1.18 -0.13 0.23 2.82 -0.71 -1.06 -4.05 117.98 113.89 2kgt s PHE 35 Ca 0.23 0.11 0.10 0.00 -1.04 0.00 0.00 56.93 56.34 2kgt s PHE 35 Cb -0.14 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2kgt s PHE 35 CO 0.12 -0.43 -0.10 -1.58 -1.34 0.00 0.00 175.22 171.89 2kgt s HIS 36 N -1.85 2.56 -0.16 3.49 2.46 -1.11 0.02 115.29 120.70 2kgt s HIS 36 Ca -0.10 -0.26 -0.09 0.00 0.47 0.00 0.00 55.06 55.09 2kgt s HIS 36 Cb -0.03 -1.18 -0.05 0.00 -0.13 0.00 0.00 32.58 31.19 2kgt s HIS 36 CO 0.01 0.59 0.14 0.14 -2.47 0.00 0.00 174.74 173.15 2kgt s VAL 37 N -2.07 5.45 -0.02 0.89 -7.23 -1.26 -0.23 120.40 115.94 2kgt s VAL 37 Ca 0.28 0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 60.64 2kgt s VAL 37 Cb -0.07 -3.44 -0.27 0.00 0.56 0.00 0.00 36.38 33.16 2kgt s VAL 37 CO 0.16 0.52 0.77 0.00 -0.31 0.00 0.00 175.10 176.24 2kgt h ALA 38 N 5.92 0.37 -2.73 1.32 0.00 -1.31 -3.47 119.26 119.36 2kgt h ALA 38 Ca -0.47 -1.19 -0.13 0.00 0.00 0.00 0.00 54.91 53.12 2kgt h ALA 38 Cb 1.19 0.36 -0.26 0.00 0.00 0.00 0.00 17.79 19.08 2kgt h ALA 38 CO 0.68 1.23 -0.29 1.03 0.00 0.00 0.00 179.25 181.90 2kgt s ARG 39 N -2.61 0.41 -0.26 0.00 1.81 -1.23 -5.04 118.95 112.02 2kgt s ARG 39 Ca -0.10 0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 54.53 2kgt s ARG 39 Cb 0.07 0.08 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2kgt s ARG 39 CO 0.84 -0.11 0.01 -1.59 -0.68 0.00 0.00 175.30 173.76 2kgt s LYS 40 N 0.87 3.09 0.40 3.54 0.00 -1.26 -0.39 119.74 125.99 2kgt s LYS 40 Ca -0.05 -0.83 0.08 0.00 0.00 0.00 0.00 55.97 55.16 2kgt s LYS 40 Cb -0.06 -3.16 -0.02 0.00 0.00 0.00 0.00 37.83 34.58 2kgt s LYS 40 CO -0.07 -0.36 0.36 -1.21 0.00 0.00 0.00 175.35 174.07 2kgt s GLU 41 N 1.44 2.55 0.39 1.78 8.01 -1.09 -5.02 118.70 126.76 2kgt s GLU 41 Ca 0.03 -1.51 0.20 0.00 0.01 0.00 0.00 54.97 53.70 2kgt s GLU 41 Cb -0.16 -2.38 0.73 0.00 -4.31 0.00 0.00 34.13 28.01 2kgt s GLU 41 CO -0.01 -0.15 1.75 1.05 0.01 0.00 0.00 175.26 177.92 2kgt h GLU 42 N 1.07 0.00 0.00 1.61 4.11 -2.04 -3.37 114.58 115.96 2kgt h GLU 42 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kgt h GLU 42 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kgt h GLU 42 CO 0.58 0.34 0.00 1.04 0.07 0.00 0.00 179.01 181.03 2kgt n GLN 43 N -3.51 0.00 -4.40 1.06 6.02 -1.26 -5.03 117.38 110.27 2kgt n GLN 43 Ca -0.00 0.17 -0.23 0.00 -0.01 0.00 0.00 57.00 56.93 2kgt n GLN 43 Cb 0.49 -0.60 -0.11 0.00 1.02 0.00 0.00 30.24 31.04 2kgt n GLN 43 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 2kgt s TRP 44 N -0.70 2.06 -0.05 1.08 -2.14 -1.26 -4.97 118.94 112.96 2kgt s TRP 44 Ca 0.00 -0.42 -0.02 0.00 2.66 0.00 0.00 56.10 58.33 2kgt s TRP 44 Cb 0.00 -0.98 -0.04 0.00 -3.10 0.00 0.00 33.47 29.36 2kgt s TRP 44 CO 0.00 0.48 0.07 -1.58 -2.66 0.00 0.00 176.95 173.26 2kgt s TRP 45 N -2.19 3.30 -0.48 1.66 0.51 -1.20 -2.68 118.94 117.86 2kgt s TRP 45 Ca 0.22 0.25 -0.18 0.00 -2.12 0.00 0.00 56.10 54.27 2kgt s TRP 45 Cb -0.05 -1.78 0.05 0.00 -0.81 0.00 0.00 33.47 30.87 2kgt s TRP 45 CO 0.10 0.56 0.56 -1.58 -0.51 0.00 0.00 176.95 176.07 2kgt s TRP 46 N -1.08 3.10 0.09 -1.98 0.52 0.47 -2.46 118.94 117.60 2kgt s TRP 46 Ca 0.19 -0.54 0.03 0.00 0.02 0.00 0.00 56.10 55.81 2kgt s TRP 46 Cb -0.12 -3.35 -0.04 0.00 -1.15 0.00 0.00 33.47 28.81 2kgt s TRP 46 CO 0.09 -0.93 0.07 0.00 0.02 0.00 0.00 176.95 176.20 2kgt s ALA 47 N 2.40 3.53 -0.09 0.98 0.00 -0.94 -0.80 121.76 126.85 2kgt s ALA 47 Ca 0.13 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2kgt s ALA 47 Cb -0.19 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.55 2kgt s ALA 47 CO 0.12 0.73 -0.06 0.99 0.00 0.00 0.00 175.76 177.54 2kgt s THR 48 N -1.40 0.83 -0.36 0.00 2.01 0.68 -2.65 115.64 114.76 2kgt s THR 48 Ca 0.29 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 2kgt s THR 48 Cb -0.12 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2kgt s THR 48 CO 0.22 0.32 1.11 -0.76 -0.69 0.00 0.00 174.62 174.82 2kgt s LEU 49 N 1.51 3.84 0.12 4.42 2.01 0.93 -2.74 118.68 128.76 2kgt s LEU 49 Ca 0.00 0.89 0.07 0.00 0.01 0.00 0.00 54.13 55.10 2kgt s LEU 49 Cb -0.13 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.48 2kgt s LEU 49 CO -0.05 -1.01 -0.09 -0.76 1.01 0.00 0.00 176.35 175.46 2kgt s LEU 50 N 3.95 3.07 1.17 1.79 1.43 -1.26 0.17 118.68 129.00 2kgt s LEU 50 Ca 0.47 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2kgt s LEU 50 Cb -0.11 -1.84 0.28 0.00 0.03 0.00 0.00 46.19 44.54 2kgt s LEU 50 CO 0.21 0.16 1.13 -0.62 0.23 0.00 0.00 176.35 177.47 2kgt s ASP 51 N -2.33 1.19 0.54 2.29 -1.08 0.19 -4.77 116.67 112.70 2kgt s ASP 51 Ca 0.22 0.59 0.23 0.00 -0.52 0.00 0.00 52.55 53.07 2kgt s ASP 51 Cb -0.11 -0.81 1.43 0.00 -1.46 0.00 0.00 42.92 41.96 2kgt s ASP 51 CO 0.14 -3.95 2.09 1.05 0.52 0.00 0.00 175.17 175.02 2kgt h GLU 52 N -2.47 0.00 0.00 4.34 4.11 -1.95 0.22 114.58 118.83 2kgt h GLU 52 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kgt h GLU 52 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kgt h GLU 52 CO 0.35 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.43 2kgt h ALA 53 N 1.85 1.00 0.00 1.06 0.00 -2.03 -3.47 119.26 117.68 2kgt h ALA 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kgt h ALA 53 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kgt h ALA 53 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kgt n GLY 54 N 0.88 1.22 3.71 0.00 0.00 0.76 -5.06 105.19 106.70 2kgt n GLY 54 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2kgt n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgt s GLY 55 N -2.20 1.69 0.79 -0.02 0.00 -1.26 -4.55 107.32 101.77 2kgt s GLY 55 Ca 0.00 1.27 -0.15 0.00 0.00 0.00 0.00 44.72 45.85 2kgt s GLY 55 CO 0.00 2.56 0.81 0.00 0.00 0.00 0.00 173.10 176.47 2kgt n ALA 56 N 4.10 -0.98 0.01 3.20 0.00 -1.26 -0.64 120.51 124.94 2kgt n ALA 56 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kgt n ALA 56 Cb 0.40 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2kgt n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgt n VAL 57 N -2.92 0.00 -4.08 0.00 0.31 0.13 -4.73 118.33 107.04 2kgt n VAL 57 Ca 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.18 2kgt n VAL 57 Cb 0.51 -0.01 -0.05 0.00 -0.91 0.00 0.00 33.84 33.37 2kgt n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kgt s ALA 58 N -1.71 3.57 0.04 3.52 0.00 -0.75 -4.95 121.76 121.47 2kgt s ALA 58 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.80 2kgt s ALA 58 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2kgt s ALA 58 CO 0.00 0.52 -0.10 -0.65 0.00 0.00 0.00 175.76 175.53 2kgt s GLN 59 N -3.05 0.67 -0.03 0.00 -0.21 -1.26 -0.05 119.66 115.73 2kgt s GLN 59 Ca 0.31 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 2kgt s GLN 59 Cb -0.10 -0.59 0.10 0.00 1.00 0.00 0.00 33.01 33.42 2kgt s GLN 59 CO 0.23 0.13 1.31 0.20 -2.12 0.00 0.00 175.29 175.05 2kgt s GLY 60 N -1.22 -0.19 -0.08 3.09 0.00 -1.08 -4.61 107.32 103.21 2kgt s GLY 60 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.90 2kgt s GLY 60 CO 0.01 4.92 -0.19 -0.19 0.00 0.00 0.00 173.10 177.65 2kgt s TYR 61 N -2.06 2.10 0.02 1.90 2.02 -1.24 -2.21 117.35 117.87 2kgt s TYR 61 Ca 0.27 -0.83 -0.09 0.00 -0.37 0.00 0.00 57.07 56.05 2kgt s TYR 61 Cb 0.01 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 2kgt s TYR 61 CO -0.02 -0.36 0.18 0.14 -1.57 0.00 0.00 175.55 173.92 2kgt s VAL 62 N 0.46 0.09 0.59 0.71 -7.23 -1.03 -4.80 120.40 109.20 2kgt s VAL 62 Ca -0.17 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.05 2kgt s VAL 62 Cb -0.17 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 2kgt s VAL 62 CO 0.07 -0.43 1.12 -2.16 -0.31 0.00 0.00 175.10 173.39 2kgt s PRO 63 N -1.92 3.12 0.26 4.82 0.04 -1.26 -3.25 135.00 136.82 2kgt s PRO 63 Ca -0.10 1.52 0.20 0.00 0.04 0.00 0.00 61.00 62.66 2kgt s PRO 63 Cb -0.04 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2kgt s PRO 63 CO -0.01 -1.02 1.25 1.25 0.04 0.00 0.00 177.00 178.52 2kgt h HIS 64 N 0.70 0.00 0.00 0.56 2.76 -1.93 -3.18 115.15 114.06 2kgt h HIS 64 Ca -0.49 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2kgt h HIS 64 Cb 1.26 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kgt h HIS 64 CO 0.53 0.19 -0.00 -0.97 -1.30 0.00 0.00 177.93 176.37 2kgt h ASN 65 N 0.00 0.00 0.00 3.26 -0.73 -2.01 -2.57 115.58 113.53 2kgt h ASN 65 Ca -0.03 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 2kgt h ASN 65 Cb 1.17 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 2kgt h ASN 65 CO 0.02 0.00 -1.98 0.00 -0.37 0.00 0.00 177.43 175.10 2kgt n TYR 66 N -3.10 0.00 -3.46 0.67 9.36 -1.24 -4.95 117.16 114.45 2kgt n TYR 66 Ca -0.01 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 2kgt n TYR 66 Cb 0.23 -0.54 -0.06 0.00 -0.63 0.00 0.00 39.34 38.34 2kgt n TYR 66 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2kgt s LEU 67 N -4.57 4.48 0.05 2.98 1.98 -0.97 -4.54 118.68 118.08 2kgt s LEU 67 Ca -0.08 1.02 0.04 0.00 -2.89 0.00 0.00 54.13 52.22 2kgt s LEU 67 Cb 0.12 -2.68 -0.04 0.00 0.66 0.00 0.00 46.19 44.24 2kgt s LEU 67 CO 0.82 0.30 -0.04 0.00 -1.89 0.00 0.00 176.35 175.54 2kgt s ALA 68 N -1.11 3.13 -0.17 5.97 0.00 -0.43 -4.86 121.76 124.28 2kgt s ALA 68 Ca 0.26 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 2kgt s ALA 68 Cb -0.17 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2kgt s ALA 68 CO 0.15 0.65 0.58 -1.83 0.00 0.00 0.00 175.76 175.31 2kgt s GLU 69 N -1.84 4.25 -1.02 0.00 -1.05 -1.26 -0.05 118.70 117.72 2kgt s GLU 69 Ca 0.21 0.56 -0.03 0.00 -0.15 0.00 0.00 54.97 55.56 2kgt s GLU 69 Cb -0.11 -3.54 0.30 0.00 -0.44 0.00 0.00 34.13 30.34 2kgt s GLU 69 CO 0.12 -0.13 1.37 0.54 0.95 0.00 0.00 175.26 178.12 2kgt n ARG 70 N 4.65 4.19 -1.71 -4.83 5.12 -1.08 -4.91 116.66 118.09 2kgt n ARG 70 Ca -0.03 -4.57 -0.41 0.00 -1.93 0.00 0.00 57.85 50.91 2kgt n ARG 70 Cb 0.50 -2.48 0.01 0.00 -1.16 0.00 0.00 32.46 29.33 2kgt n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kgt n GLU 71 N 1.31 2.02 0.00 5.56 1.02 -1.26 -4.43 120.64 124.86 2kgt n GLU 71 Ca 0.26 0.72 0.15 0.00 -0.02 0.00 0.00 57.16 58.27 2kgt n GLU 71 Cb 0.34 -2.40 0.89 0.00 -0.02 0.00 0.00 31.44 30.25 2kgt n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56