#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 1.63 -0.41 3.17 1.01 -1.26 -4.97 120.40 119.57 2kgt s VAL 2 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 61.98 59.94 2kgt s VAL 2 Cb 0.00 -2.20 0.44 0.00 0.00 0.00 0.00 36.38 34.62 2kgt s VAL 2 CO 0.00 -0.69 1.33 -1.20 0.00 0.00 0.00 175.10 174.54 2kgt n SER 3 N 4.28 5.40 -0.04 3.32 7.64 -1.26 -4.76 113.62 128.20 2kgt n SER 3 Ca 0.02 -3.75 -0.14 0.00 1.01 0.00 0.00 58.87 56.01 2kgt n SER 3 Cb 0.40 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2kgt n SER 3 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kgt h ARG 4 N 2.30 0.30 -6.20 1.43 2.47 -2.03 -3.43 114.38 109.23 2kgt h ARG 4 Ca 0.40 -0.19 -0.49 0.00 -1.26 0.00 0.00 59.98 58.44 2kgt h ARG 4 Cb 1.20 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 2kgt h ARG 4 CO 0.93 0.78 -0.36 0.16 0.56 0.00 0.00 179.97 182.05 2kgt s ASP 5 N -6.18 5.10 -1.40 7.04 1.47 -1.26 -4.57 116.67 116.87 2kgt s ASP 5 Ca -0.14 -0.73 -0.10 0.00 1.18 0.00 0.00 52.55 52.76 2kgt s ASP 5 Cb 0.04 -0.54 0.07 0.00 -0.34 0.00 0.00 42.92 42.15 2kgt s ASP 5 CO 0.75 -0.69 0.62 0.00 0.68 0.00 0.00 175.17 176.53 2kgt n GLN 6 N -1.60 -4.10 0.13 2.11 3.00 -1.26 -4.84 117.38 110.82 2kgt n GLN 6 Ca 0.04 0.58 0.01 0.00 -0.01 0.00 0.00 57.00 57.62 2kgt n GLN 6 Cb 0.62 -5.36 0.01 0.00 0.00 0.00 0.00 30.24 25.51 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 0.97 0.64 -0.29 -1.58 0.00 -1.82 -3.35 119.26 113.83 2kgt h ALA 7 Ca -0.48 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.30 2kgt h ALA 7 Cb 1.32 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2kgt h ALA 7 CO 0.58 0.70 2.40 0.72 0.00 0.00 0.00 179.25 183.65 2kgt n HIS 8 N -3.23 2.08 -2.18 0.00 8.25 -1.26 -4.94 115.22 113.93 2kgt n HIS 8 Ca 0.02 -2.66 -0.27 0.00 -0.26 0.00 0.00 57.72 54.54 2kgt n HIS 8 Cb 0.76 -2.02 0.15 0.00 1.12 0.00 0.00 29.99 30.00 2kgt n HIS 8 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kgt s LEU 9 N -0.95 2.81 -0.40 2.41 1.43 -1.26 -5.07 118.68 117.66 2kgt s LEU 9 Ca 0.63 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 2kgt s LEU 9 Cb 0.22 -2.26 0.25 0.00 0.03 0.00 0.00 46.19 44.43 2kgt s LEU 9 CO -0.08 -2.33 0.55 0.61 0.23 0.00 0.00 176.35 175.32 2kgt n GLY 10 N -3.37 2.71 0.65 -3.19 0.00 -1.26 -5.13 105.19 95.59 2kgt n GLY 10 Ca 0.15 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 2kgt n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kgt n PRO 11 N 1.39 -1.43 -1.86 1.61 -0.04 -1.26 -5.03 135.00 128.38 2kgt n PRO 11 Ca 0.20 -0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 63.03 2kgt n PRO 11 Cb 0.54 -0.30 0.01 0.00 -0.04 0.00 0.00 33.50 33.71 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 -3.46 3.51 -0.01 0.54 1.02 -1.26 -5.01 119.74 115.07 2kgt s LYS 12 Ca 0.13 0.81 0.06 0.00 0.02 0.00 0.00 55.97 56.99 2kgt s LYS 12 Cb -0.01 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2kgt s LYS 12 CO 0.10 -0.64 -0.19 0.71 -0.92 0.00 0.00 175.35 174.40 2kgt s TYR 13 N -3.10 2.53 0.04 3.18 1.51 -1.15 -4.09 117.35 116.28 2kgt s TYR 13 Ca 0.56 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 2kgt s TYR 13 Cb -0.12 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2kgt s TYR 13 CO 0.52 0.14 0.02 0.54 -1.11 0.00 0.00 175.55 175.67 2kgt s VAL 14 N -0.77 0.16 0.00 0.71 0.11 -1.20 -1.60 120.40 117.82 2kgt s VAL 14 Ca 0.12 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 2kgt s VAL 14 Cb -0.10 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 2kgt s VAL 14 CO 0.02 -0.75 0.00 0.61 -3.33 0.00 0.00 175.10 171.65 2kgt n GLY 15 N 0.63 -0.21 2.50 6.54 0.00 -1.26 -2.07 105.19 111.31 2kgt n GLY 15 Ca -0.18 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2kgt n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kgt n LEU 16 N 0.00 1.63 -4.18 0.99 4.32 -1.26 -2.81 117.00 115.68 2kgt n LEU 16 Ca 0.00 -4.93 -0.35 0.00 -0.02 0.00 0.00 56.01 50.72 2kgt n LEU 16 Cb 0.00 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 41.80 2kgt n LEU 16 CO 0.00 1.92 -0.83 0.79 -1.22 0.00 0.00 177.39 178.05 2kgt n TRP 17 N 1.82 -3.40 -1.50 -1.77 8.01 -1.26 -0.46 117.44 118.87 2kgt n TRP 17 Ca 0.25 0.11 -0.41 0.00 -1.31 0.00 0.00 57.50 56.14 2kgt n TRP 17 Cb 0.44 -1.58 -0.09 0.00 -2.01 0.00 0.00 31.31 28.07 2kgt n TRP 17 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2kgt n ASP 18 N 1.34 1.31 -3.66 -0.99 5.75 -1.26 -4.26 116.55 114.78 2kgt n ASP 18 Ca 0.02 -0.02 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 2kgt n ASP 18 Cb 0.56 -1.21 -0.12 0.00 -1.03 0.00 0.00 41.12 39.32 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kgt s PHE 19 N 9.82 -0.56 -0.37 2.11 2.19 -1.21 -5.00 117.98 124.95 2kgt s PHE 19 Ca 1.18 1.18 0.00 0.00 0.33 0.00 0.00 56.93 59.62 2kgt s PHE 19 Cb -0.82 0.09 0.10 0.00 -1.31 0.00 0.00 43.02 41.08 2kgt s PHE 19 CO 0.41 -0.40 0.12 0.15 1.83 0.00 0.00 175.22 177.33 2kgt s LYS 20 N 2.49 1.79 0.04 10.12 -0.14 -1.26 -3.26 119.74 129.52 2kgt s LYS 20 Ca 0.00 -1.81 -0.00 0.00 -1.36 0.00 0.00 55.97 52.80 2kgt s LYS 20 Cb -0.12 -3.38 0.01 0.00 -1.68 0.00 0.00 37.83 32.65 2kgt s LYS 20 CO -0.10 -0.98 0.05 0.45 -0.76 0.00 0.00 175.35 174.01 2kgt n SER 21 N 4.44 0.03 -0.88 2.83 2.88 -1.25 -5.03 113.62 116.65 2kgt n SER 21 Ca -0.00 -1.04 0.03 0.00 -1.33 0.00 0.00 58.87 56.53 2kgt n SER 21 Cb 0.42 -0.04 0.04 0.00 -0.75 0.00 0.00 64.21 63.88 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kgt n ARG 22 N -1.10 0.24 -3.84 -1.46 1.85 -1.26 -4.86 116.66 106.22 2kgt n ARG 22 Ca 0.01 -1.73 -0.11 0.00 -1.00 0.00 0.00 57.85 55.02 2kgt n ARG 22 Cb 0.03 -0.47 -0.09 0.00 -1.05 0.00 0.00 32.46 30.88 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kgt s THR 23 N -0.51 0.10 0.64 8.89 -4.23 -1.26 -5.02 115.64 114.25 2kgt s THR 23 Ca 0.20 -0.85 0.39 0.00 -1.18 0.00 0.00 61.69 60.25 2kgt s THR 23 Cb 0.21 -0.84 0.41 0.00 1.34 0.00 0.00 72.50 73.62 2kgt s THR 23 CO -0.07 -0.47 2.30 0.44 -0.54 0.00 0.00 174.62 176.29 2kgt h ASP 24 N 3.57 0.00 0.24 3.99 3.32 -1.98 -0.45 116.42 125.10 2kgt h ASP 24 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2kgt h ASP 24 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2kgt h ASP 24 CO 0.47 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.66 2kgt h GLU 25 N 0.00 0.00 -4.41 3.56 5.08 -1.88 -3.33 114.58 113.60 2kgt h GLU 25 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2kgt h GLU 25 Cb 0.06 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.15 2kgt h GLU 25 CO -0.00 0.00 -0.70 -1.21 -1.00 0.00 0.00 179.01 176.10 2kgt s GLU 26 N -3.71 0.65 0.19 2.33 2.02 -0.18 -3.85 118.70 116.15 2kgt s GLU 26 Ca -0.02 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.85 2kgt s GLU 26 Cb 0.09 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 2kgt s GLU 26 CO 0.33 -0.05 0.34 -0.51 0.02 0.00 0.00 175.26 175.39 2kgt s LEU 27 N -2.65 4.29 -0.83 1.80 1.02 -1.26 -4.60 118.68 116.45 2kgt s LEU 27 Ca 0.04 0.23 -0.01 0.00 0.02 0.00 0.00 54.13 54.41 2kgt s LEU 27 Cb 0.03 -2.99 0.20 0.00 0.02 0.00 0.00 46.19 43.45 2kgt s LEU 27 CO -0.06 -0.01 0.69 -0.94 0.02 0.00 0.00 176.35 176.05 2kgt s SER 28 N -3.40 5.71 0.20 2.29 1.04 -1.26 -3.84 113.70 114.44 2kgt s SER 28 Ca 0.36 -3.65 -0.22 0.00 0.48 0.00 0.00 55.95 52.92 2kgt s SER 28 Cb -0.11 -1.86 0.05 0.00 0.10 0.00 0.00 66.02 64.21 2kgt s SER 28 CO 0.29 -0.19 0.64 0.12 0.98 0.00 0.00 173.24 175.08 2kgt s PHE 29 N -1.22 -0.40 0.50 5.02 5.36 -1.20 -4.98 117.98 121.05 2kgt s PHE 29 Ca 0.26 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 2kgt s PHE 29 Cb -0.08 0.61 0.02 0.00 -0.34 0.00 0.00 43.02 43.22 2kgt s PHE 29 CO -0.12 -0.99 0.72 -0.98 -1.46 0.00 0.00 175.22 172.39 2kgt s ARG 30 N -3.81 2.74 0.99 10.12 1.70 -1.26 -3.32 118.95 126.10 2kgt s ARG 30 Ca 0.05 -0.73 -0.12 0.00 -0.47 0.00 0.00 55.73 54.45 2kgt s ARG 30 Cb -0.03 -2.54 0.18 0.00 -0.57 0.00 0.00 34.95 32.00 2kgt s ARG 30 CO -0.06 -0.52 1.09 0.00 -1.08 0.00 0.00 175.30 174.74 2kgt s ALA 31 N -2.65 0.99 0.00 7.88 0.00 0.39 -3.90 121.76 124.47 2kgt s ALA 31 Ca 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2kgt s ALA 31 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2kgt s ALA 31 CO 0.38 -2.81 0.00 0.41 0.00 0.00 0.00 175.76 173.74 2kgt n GLY 32 N -1.03 3.08 3.82 0.00 0.00 -1.26 -4.96 105.19 104.84 2kgt n GLY 32 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2kgt n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kgt s ASP 33 N -0.20 6.07 0.08 1.61 1.11 -1.25 -5.04 116.67 119.05 2kgt s ASP 33 Ca 0.00 1.72 -0.16 0.00 0.18 0.00 0.00 52.55 54.29 2kgt s ASP 33 Cb 0.00 -2.52 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 2kgt s ASP 33 CO 0.00 -0.97 0.51 0.68 1.18 0.00 0.00 175.17 176.58 2kgt s VAL 34 N -2.53 4.87 0.19 -1.27 -7.23 -1.26 -4.68 120.40 108.50 2kgt s VAL 34 Ca 0.62 0.94 0.02 0.00 -1.81 0.00 0.00 61.98 61.75 2kgt s VAL 34 Cb -0.14 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 32.97 2kgt s VAL 34 CO 0.36 0.44 0.01 -0.36 -0.31 0.00 0.00 175.10 175.23 2kgt s PHE 35 N -1.24 1.33 0.01 2.82 0.08 -0.62 -4.48 117.98 115.87 2kgt s PHE 35 Ca 0.31 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 56.36 2kgt s PHE 35 Cb -0.17 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 2kgt s PHE 35 CO 0.18 -0.17 -0.02 -1.01 -0.10 0.00 0.00 175.22 174.09 2kgt s HIS 36 N -3.60 0.19 -0.12 0.36 3.76 -1.22 -2.95 115.29 111.71 2kgt s HIS 36 Ca 0.26 -0.26 -0.23 0.00 -0.15 0.00 0.00 55.06 54.69 2kgt s HIS 36 Cb 0.06 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 2kgt s HIS 36 CO 0.06 -0.08 0.68 0.08 -0.85 0.00 0.00 174.74 174.63 2kgt s VAL 37 N -0.70 5.03 -0.17 -0.90 1.01 -1.26 -0.94 120.40 122.46 2kgt s VAL 37 Ca -0.07 1.37 0.18 0.00 0.00 0.00 0.00 61.98 63.46 2kgt s VAL 37 Cb -0.05 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.06 2kgt s VAL 37 CO -0.00 0.19 0.14 0.00 0.00 0.00 0.00 175.10 175.42 2kgt n ALA 38 N 4.33 1.74 -3.71 5.51 0.00 -0.88 -4.95 120.51 122.55 2kgt n ALA 38 Ca -0.01 -1.16 -0.14 0.00 0.00 0.00 0.00 53.44 52.13 2kgt n ALA 38 Cb 0.51 -0.26 -0.15 0.00 0.00 0.00 0.00 19.45 19.54 2kgt n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgt s ARG 39 N -2.65 0.03 -0.32 0.00 3.00 -1.24 -5.05 118.95 112.72 2kgt s ARG 39 Ca -0.09 0.27 -0.09 0.00 0.00 0.00 0.00 55.73 55.81 2kgt s ARG 39 Cb 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 34.95 34.83 2kgt s ARG 39 CO 0.82 -0.16 0.14 -1.59 0.00 0.00 0.00 175.30 174.51 2kgt s LYS 40 N 1.06 3.10 0.26 3.54 -2.85 -1.26 -1.39 119.74 122.20 2kgt s LYS 40 Ca -0.09 -0.87 0.09 0.00 -1.00 0.00 0.00 55.97 54.10 2kgt s LYS 40 Cb -0.12 -3.55 -0.04 0.00 -2.06 0.00 0.00 37.83 32.06 2kgt s LYS 40 CO -0.04 -0.51 0.07 -2.00 0.10 0.00 0.00 175.35 172.97 2kgt s GLU 41 N 1.56 2.53 0.26 1.78 2.56 -1.17 -5.01 118.70 121.20 2kgt s GLU 41 Ca 0.03 -1.28 0.25 0.00 0.00 0.00 0.00 54.97 53.97 2kgt s GLU 41 Cb -0.18 -2.31 0.93 0.00 2.00 0.00 0.00 34.13 34.58 2kgt s GLU 41 CO 0.05 0.38 1.74 -0.85 -0.56 0.00 0.00 175.26 176.02 2kgt n GLU 42 N -0.99 0.23 0.00 4.30 0.28 -1.26 -4.28 120.64 118.93 2kgt n GLU 42 Ca -0.07 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 2kgt n GLU 42 Cb 0.58 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2kgt n GLU 42 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2kgt n GLN 43 N -2.29 0.00 -4.30 3.44 6.02 -1.26 -5.07 117.38 113.92 2kgt n GLN 43 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 2kgt n GLN 43 Cb 0.30 -0.19 -0.08 0.00 1.02 0.00 0.00 30.24 31.29 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2kgt s TRP 44 N -0.51 2.67 -0.17 1.08 0.23 -1.26 -4.78 118.94 116.19 2kgt s TRP 44 Ca 0.00 -0.22 -0.07 0.00 -2.03 0.00 0.00 56.10 53.78 2kgt s TRP 44 Cb 0.00 -1.23 -0.04 0.00 0.03 0.00 0.00 33.47 32.23 2kgt s TRP 44 CO 0.00 0.58 0.05 -1.58 0.96 0.00 0.00 176.95 176.96 2kgt s TRP 45 N -2.09 3.22 -0.14 -1.98 0.51 -1.14 -3.07 118.94 114.25 2kgt s TRP 45 Ca 0.29 0.03 -0.27 0.00 -2.12 0.00 0.00 56.10 54.03 2kgt s TRP 45 Cb -0.07 -2.04 -0.01 0.00 -0.81 0.00 0.00 33.47 30.53 2kgt s TRP 45 CO 0.18 0.16 0.91 -1.58 -0.51 0.00 0.00 176.95 176.11 2kgt s TRP 46 N 0.27 3.46 0.16 -1.98 0.52 -0.48 -1.92 118.94 118.97 2kgt s TRP 46 Ca 0.03 1.41 0.07 0.00 0.02 0.00 0.00 56.10 57.63 2kgt s TRP 46 Cb -0.13 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 2kgt s TRP 46 CO 0.01 -0.23 -0.03 0.00 0.02 0.00 0.00 176.95 176.71 2kgt s ALA 47 N 2.10 3.14 -0.10 0.98 0.00 -0.74 -2.06 121.76 125.07 2kgt s ALA 47 Ca 0.43 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2kgt s ALA 47 Cb -0.17 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.02 2kgt s ALA 47 CO 0.14 0.52 -0.10 0.99 0.00 0.00 0.00 175.76 177.31 2kgt s THR 48 N -1.63 1.14 -0.36 0.00 2.01 -0.12 -1.61 115.64 115.07 2kgt s THR 48 Ca 0.26 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2kgt s THR 48 Cb -0.10 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.33 2kgt s THR 48 CO 0.17 0.38 1.09 -0.76 -0.69 0.00 0.00 174.62 174.81 2kgt s LEU 49 N 1.35 3.85 0.17 4.42 2.01 0.76 -3.40 118.68 127.84 2kgt s LEU 49 Ca -0.01 0.89 0.08 0.00 0.01 0.00 0.00 54.13 55.10 2kgt s LEU 49 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.48 2kgt s LEU 49 CO -0.05 -0.98 -0.06 -0.76 1.01 0.00 0.00 176.35 175.51 2kgt s LEU 50 N 3.87 3.09 1.15 1.79 1.43 -1.26 0.19 118.68 128.95 2kgt s LEU 50 Ca 0.46 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 2kgt s LEU 50 Cb -0.11 -1.78 0.26 0.00 0.03 0.00 0.00 46.19 44.60 2kgt s LEU 50 CO 0.20 0.11 1.14 -0.62 0.23 0.00 0.00 176.35 177.40 2kgt s ASP 51 N -2.81 1.40 0.50 2.29 2.15 0.70 -4.79 116.67 116.12 2kgt s ASP 51 Ca 0.25 0.62 0.18 0.00 0.43 0.00 0.00 52.55 54.03 2kgt s ASP 51 Cb -0.09 -0.86 1.23 0.00 -0.30 0.00 0.00 42.92 42.89 2kgt s ASP 51 CO 0.16 -3.82 2.05 1.05 -0.17 0.00 0.00 175.17 174.44 2kgt h GLU 52 N -2.38 0.13 0.00 4.34 4.11 -1.98 0.17 114.58 118.97 2kgt h GLU 52 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kgt h GLU 52 Cb 1.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kgt h GLU 52 CO 0.37 0.08 0.00 0.00 0.07 0.00 0.00 179.01 179.53 2kgt h ALA 53 N 1.82 1.00 0.00 1.06 0.00 -2.04 -3.47 119.26 117.64 2kgt h ALA 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kgt h ALA 53 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kgt h ALA 53 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2kgt n GLY 54 N 0.98 0.78 3.68 0.00 0.00 0.59 -5.07 105.19 106.15 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 -2.03 1.62 0.72 -0.02 0.00 -1.26 -4.51 107.32 101.85 2kgt s GLY 55 Ca 0.00 1.07 -0.16 0.00 0.00 0.00 0.00 44.72 45.63 2kgt s GLY 55 CO 0.00 2.84 0.54 0.00 0.00 0.00 0.00 173.10 176.48 2kgt n ALA 56 N 5.91 -1.48 0.08 3.20 0.00 -1.26 -0.21 120.51 126.74 2kgt n ALA 56 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kgt n ALA 56 Cb 0.42 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.39 0.00 -4.21 0.00 0.31 0.13 -4.70 118.33 107.46 2kgt n VAL 57 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.20 2kgt n VAL 57 Cb 0.50 -0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.19 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 -1.86 3.32 -0.06 3.52 0.00 -0.60 -4.97 121.76 121.11 2kgt s ALA 58 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2kgt s ALA 58 Cb 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.30 2kgt s ALA 58 CO 0.00 0.20 -0.07 -0.65 0.00 0.00 0.00 175.76 175.23 2kgt s GLN 59 N -3.75 1.17 -0.28 0.00 1.11 -1.26 -0.17 119.66 116.48 2kgt s GLN 59 Ca 0.33 -0.22 -0.22 0.00 0.01 0.00 0.00 55.36 55.27 2kgt s GLN 59 Cb -0.05 -1.08 0.12 0.00 -1.01 0.00 0.00 33.01 30.98 2kgt s GLN 59 CO 0.21 -0.06 0.94 0.20 0.01 0.00 0.00 175.29 176.60 2kgt s GLY 60 N 0.89 -0.22 0.24 3.09 0.00 -0.63 -4.79 107.32 105.90 2kgt s GLY 60 Ca -0.11 2.68 0.01 0.00 0.00 0.00 0.00 44.72 47.29 2kgt s GLY 60 CO 0.01 2.06 0.42 -2.52 0.00 0.00 0.00 173.10 173.07 2kgt s TYR 61 N 0.66 3.48 0.06 1.90 -0.85 -1.25 -1.78 117.35 119.57 2kgt s TYR 61 Ca -0.02 0.26 -0.17 0.00 -0.52 0.00 0.00 57.07 56.63 2kgt s TYR 61 Cb -0.05 -1.80 0.03 0.00 0.38 0.00 0.00 41.96 40.53 2kgt s TYR 61 CO -0.09 0.33 0.39 0.14 -1.52 0.00 0.00 175.55 174.81 2kgt s VAL 62 N -2.00 0.06 0.59 -3.49 -7.23 -0.81 -4.28 120.40 103.25 2kgt s VAL 62 Ca 0.38 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.86 2kgt s VAL 62 Cb -0.10 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2kgt s VAL 62 CO 0.31 -0.29 1.12 -2.16 -0.31 0.00 0.00 175.10 173.77 2kgt s PRO 63 N -2.76 3.11 0.61 4.82 0.04 -1.26 -2.89 135.00 136.68 2kgt s PRO 63 Ca -0.03 1.52 0.32 0.00 0.04 0.00 0.00 61.00 62.84 2kgt s PRO 63 Cb -0.00 -1.98 1.80 0.00 0.04 0.00 0.00 34.50 34.36 2kgt s PRO 63 CO -0.04 -1.02 2.13 1.12 0.04 0.00 0.00 177.00 179.23 2kgt h HIS 64 N 0.69 0.00 0.00 0.56 2.07 -1.86 0.26 115.15 116.87 2kgt h HIS 64 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2kgt h HIS 64 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2kgt h HIS 64 CO 0.53 0.00 0.00 -0.91 -3.07 0.00 0.00 177.93 174.48 2kgt h ASN 65 N 0.00 0.00 0.06 3.10 4.21 -1.99 -3.33 115.58 117.63 2kgt h ASN 65 Ca 0.05 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 2kgt h ASN 65 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2kgt h ASN 65 CO -0.00 0.00 -0.03 0.22 -1.29 0.00 0.00 177.43 176.33 2kgt h TYR 66 N 0.00 -0.07 -2.36 1.19 3.20 -0.79 -3.47 116.97 114.66 2kgt h TYR 66 Ca 0.00 -0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.41 2kgt h TYR 66 Cb 0.68 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2kgt h TYR 66 CO 0.00 -0.05 -0.32 -0.48 -1.64 0.00 0.00 178.16 175.67 2kgt s LEU 67 N -6.22 4.13 -0.01 2.82 2.34 -1.12 -4.55 118.68 116.07 2kgt s LEU 67 Ca -0.01 0.17 -0.05 0.00 0.06 0.00 0.00 54.13 54.29 2kgt s LEU 67 Cb 0.00 -3.01 0.00 0.00 -0.56 0.00 0.00 46.19 42.63 2kgt s LEU 67 CO 0.03 -0.23 0.11 0.00 -1.06 0.00 0.00 176.35 175.20 2kgt s ALA 68 N -2.15 -0.26 0.40 1.48 0.00 -0.88 -4.74 121.76 115.61 2kgt s ALA 68 Ca 0.38 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 2kgt s ALA 68 Cb -0.09 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 2kgt s ALA 68 CO 0.32 -0.15 1.29 -1.83 0.00 0.00 0.00 175.76 175.39 2kgt s GLU 69 N -0.92 4.00 -0.37 0.00 -1.05 -1.26 -3.27 118.70 115.83 2kgt s GLU 69 Ca -0.10 2.14 0.02 0.00 -0.15 0.00 0.00 54.97 56.88 2kgt s GLU 69 Cb -0.06 -2.78 0.11 0.00 -0.44 0.00 0.00 34.13 30.96 2kgt s GLU 69 CO 0.01 -0.46 0.12 1.03 0.95 0.00 0.00 175.26 176.91 2kgt s ARG 70 N -2.21 1.30 0.35 -4.83 1.81 -1.26 -4.94 118.95 109.17 2kgt s ARG 70 Ca 0.56 -1.76 0.09 0.00 -1.72 0.00 0.00 55.73 52.90 2kgt s ARG 70 Cb -0.38 -2.75 -0.05 0.00 -0.45 0.00 0.00 34.95 31.32 2kgt s ARG 70 CO 0.49 -1.01 0.05 -1.83 -0.68 0.00 0.00 175.30 172.32 2kgt s GLU 71 N 0.88 2.14 0.00 3.54 4.04 -1.26 -4.69 118.70 123.35 2kgt s GLU 71 Ca 0.12 -1.73 0.00 0.00 0.04 0.00 0.00 54.97 53.40 2kgt s GLU 71 Cb -0.20 -1.97 0.00 0.00 0.02 0.00 0.00 34.13 31.98 2kgt s GLU 71 CO -0.11 0.10 0.49 0.25 -1.84 0.00 0.00 175.26 174.15