#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 3.34 -0.27 2.03 -7.23 -1.26 -5.03 120.40 111.98 2kgt s VAL 2 Ca 0.00 1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 61.45 2kgt s VAL 2 Cb 0.00 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2kgt s VAL 2 CO 0.00 0.28 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.11 2kgt s SER 3 N -0.88 4.60 0.09 4.85 1.04 -1.26 -4.99 113.70 117.16 2kgt s SER 3 Ca 0.47 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.82 2kgt s SER 3 Cb -0.33 -1.72 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 2kgt s SER 3 CO 0.42 -0.17 1.42 -0.09 0.98 0.00 0.00 173.24 175.80 2kgt h ARG 4 N 8.05 0.66 -5.63 4.02 9.65 -2.06 -3.43 114.38 125.65 2kgt h ARG 4 Ca -0.30 -0.35 -0.59 0.00 -1.10 0.00 0.00 59.98 57.64 2kgt h ARG 4 Cb 1.10 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.60 2kgt h ARG 4 CO 0.57 0.95 -0.27 -0.51 2.80 0.00 0.00 179.97 183.52 2kgt s ASP 5 N -6.49 6.55 -0.53 -3.80 1.01 -1.26 -5.01 116.67 107.14 2kgt s ASP 5 Ca -0.13 0.64 0.05 0.00 0.71 0.00 0.00 52.55 53.83 2kgt s ASP 5 Cb 0.08 -2.21 0.37 0.00 1.01 0.00 0.00 42.92 42.17 2kgt s ASP 5 CO 0.82 0.12 1.00 1.67 0.21 0.00 0.00 175.17 178.99 2kgt n GLN 6 N 3.30 3.30 0.11 8.23 7.27 -1.26 -4.78 117.38 133.55 2kgt n GLN 6 Ca -0.11 -4.74 0.02 0.00 0.07 0.00 0.00 57.00 52.24 2kgt n GLN 6 Cb 0.52 -2.24 -0.00 0.00 2.41 0.00 0.00 30.24 30.93 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kgt h ALA 7 N 2.84 0.66 -3.20 1.69 0.00 -1.99 -3.43 119.26 115.83 2kgt h ALA 7 Ca 0.19 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 2kgt h ALA 7 Cb 0.65 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.07 2kgt h ALA 7 CO 0.83 0.67 -0.81 -1.01 0.00 0.00 0.00 179.25 178.93 2kgt s HIS 8 N -2.96 1.85 0.52 0.00 3.76 -1.26 -5.13 115.29 112.06 2kgt s HIS 8 Ca 0.02 -1.04 -0.12 0.00 -0.15 0.00 0.00 55.06 53.77 2kgt s HIS 8 Cb 0.08 -1.41 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 2kgt s HIS 8 CO 0.76 -0.61 0.93 -0.51 -0.85 0.00 0.00 174.74 174.47 2kgt s LEU 9 N 1.59 3.55 0.00 0.89 2.01 -1.26 -4.95 118.68 120.52 2kgt s LEU 9 Ca 0.04 1.36 0.00 0.00 0.01 0.00 0.00 54.13 55.54 2kgt s LEU 9 Cb -0.13 -4.32 0.00 0.00 0.01 0.00 0.00 46.19 41.75 2kgt s LEU 9 CO -0.09 -0.63 0.00 0.61 1.01 0.00 0.00 176.35 177.25 2kgt n GLY 10 N -1.94 0.21 3.62 -3.19 0.00 -1.26 -5.16 105.19 97.47 2kgt n GLY 10 Ca 0.05 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2kgt n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kgt s PRO 11 N 0.00 -0.71 0.55 1.61 0.04 -1.26 -5.03 135.00 130.20 2kgt s PRO 11 Ca 0.00 0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.01 2kgt s PRO 11 Cb 0.00 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.84 2kgt s PRO 11 CO 0.00 -3.41 1.00 0.15 0.04 0.00 0.00 177.00 174.79 2kgt s LYS 12 N -5.26 3.79 0.01 4.56 3.01 -1.26 -4.84 119.74 119.75 2kgt s LYS 12 Ca 0.69 0.90 0.08 0.00 -1.01 0.00 0.00 55.97 56.63 2kgt s LYS 12 Cb -0.13 -2.11 -0.02 0.00 -1.01 0.00 0.00 37.83 34.56 2kgt s LYS 12 CO 0.57 -0.40 -0.24 0.71 0.51 0.00 0.00 175.35 176.50 2kgt s TYR 13 N -2.80 2.09 -0.02 3.18 1.51 0.93 -1.35 117.35 120.89 2kgt s TYR 13 Ca 0.58 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 2kgt s TYR 13 Cb -0.11 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2kgt s TYR 13 CO 0.39 0.03 0.06 0.54 -1.11 0.00 0.00 175.55 175.46 2kgt s VAL 14 N -0.66 0.00 0.00 0.71 0.11 -0.66 -1.28 120.40 118.62 2kgt s VAL 14 Ca 0.09 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2kgt s VAL 14 Cb -0.09 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2kgt s VAL 14 CO 0.00 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2kgt n GLY 15 N 3.03 0.52 0.00 6.54 0.00 -1.26 -1.61 105.19 112.41 2kgt n GLY 15 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.25 -2.78 0.99 7.99 -1.26 -2.50 117.00 119.68 2kgt n LEU 16 Ca 0.00 -0.59 -0.21 0.00 -0.01 0.00 0.00 56.01 55.19 2kgt n LEU 16 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 2kgt n LEU 16 CO 0.00 0.06 -0.11 1.87 -1.51 0.00 0.00 177.39 177.70 2kgt n TRP 17 N -0.68 -1.58 -3.92 -1.77 -0.00 -1.26 -1.78 117.44 106.45 2kgt n TRP 17 Ca 0.00 0.29 -0.29 0.00 -0.00 0.00 0.00 57.50 57.50 2kgt n TRP 17 Cb 0.00 -4.05 0.02 0.00 -0.00 0.00 0.00 31.31 27.28 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 -2.27 -3.76 -4.59 5.87 -0.08 -1.26 -4.86 116.55 105.60 2kgt n ASP 18 Ca -0.16 -0.83 -0.37 0.00 -1.51 0.00 0.00 54.79 51.93 2kgt n ASP 18 Cb 0.64 -3.72 -0.11 0.00 2.34 0.00 0.00 41.12 40.27 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2kgt s PHE 19 N -3.40 3.23 -0.30 -0.67 5.36 -0.73 -4.88 117.98 116.59 2kgt s PHE 19 Ca 0.53 0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.52 2kgt s PHE 19 Cb -0.27 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2kgt s PHE 19 CO 0.84 -0.09 -0.01 0.15 -1.46 0.00 0.00 175.22 174.65 2kgt s LYS 20 N 1.32 2.41 0.47 10.12 -0.14 -1.26 -3.47 119.74 129.19 2kgt s LYS 20 Ca 0.06 -1.27 0.07 0.00 -1.36 0.00 0.00 55.97 53.47 2kgt s LYS 20 Cb -0.15 -3.15 0.01 0.00 -1.68 0.00 0.00 37.83 32.86 2kgt s LYS 20 CO 0.06 -0.61 0.42 -1.12 -0.76 0.00 0.00 175.35 173.33 2kgt s SER 21 N 1.24 4.91 -0.00 2.83 0.01 -1.21 -4.97 113.70 116.50 2kgt s SER 21 Ca -0.06 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.33 2kgt s SER 21 Cb -0.20 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 2kgt s SER 21 CO -0.01 -0.84 0.09 0.54 0.41 0.00 0.00 173.24 173.42 2kgt n ARG 22 N -1.66 0.71 -2.45 12.44 1.74 -1.26 -4.20 116.66 121.97 2kgt n ARG 22 Ca 0.03 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2kgt n ARG 22 Cb 0.63 -1.05 0.01 0.00 -1.02 0.00 0.00 32.46 31.03 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 -2.17 4.43 0.20 0.55 -4.23 -1.26 -5.00 115.64 108.16 2kgt s THR 23 Ca -0.01 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2kgt s THR 23 Cb 0.03 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 2kgt s THR 23 CO 0.16 -0.75 1.53 -0.78 -0.54 0.00 0.00 174.62 174.24 2kgt h ASP 24 N 0.01 0.61 -0.83 3.99 3.58 -1.96 -2.98 116.42 118.84 2kgt h ASP 24 Ca -0.46 -0.31 0.24 0.00 0.42 0.00 0.00 57.03 56.92 2kgt h ASP 24 Cb 1.22 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 2kgt h ASP 24 CO 0.61 1.01 0.59 1.05 -2.88 0.00 0.00 179.24 179.63 2kgt h GLU 25 N 0.44 0.02 -6.46 0.28 4.11 -1.89 -3.33 114.58 107.76 2kgt h GLU 25 Ca 0.02 -0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.82 2kgt h GLU 25 Cb 1.03 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.12 2kgt h GLU 25 CO 0.10 0.01 -0.77 -1.21 0.07 0.00 0.00 179.01 177.21 2kgt s GLU 26 N -5.01 1.78 -0.03 1.06 2.02 -1.13 -3.40 118.70 114.00 2kgt s GLU 26 Ca -0.05 -1.48 -0.18 0.00 0.02 0.00 0.00 54.97 53.29 2kgt s GLU 26 Cb 0.21 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 2kgt s GLU 26 CO 0.77 0.40 0.49 -0.51 0.02 0.00 0.00 175.26 176.42 2kgt s LEU 27 N -2.94 4.41 -1.20 1.80 1.02 -1.26 -4.61 118.68 115.90 2kgt s LEU 27 Ca 0.24 1.00 -0.08 0.00 0.02 0.00 0.00 54.13 55.31 2kgt s LEU 27 Cb -0.08 -2.73 0.22 0.00 0.02 0.00 0.00 46.19 43.63 2kgt s LEU 27 CO 0.13 0.17 1.67 -1.54 0.02 0.00 0.00 176.35 176.80 2kgt n SER 28 N 2.57 5.58 -3.46 2.29 3.41 -1.26 -3.34 113.62 119.42 2kgt n SER 28 Ca -0.10 -3.20 -0.13 0.00 -0.26 0.00 0.00 58.87 55.18 2kgt n SER 28 Cb 0.52 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 2kgt n SER 28 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kgt s PHE 29 N -0.69 -0.55 0.45 7.33 0.08 -1.23 -4.86 117.98 118.51 2kgt s PHE 29 Ca 0.36 0.48 0.05 0.00 0.12 0.00 0.00 56.93 57.94 2kgt s PHE 29 Cb 0.06 0.51 0.01 0.00 -0.57 0.00 0.00 43.02 43.03 2kgt s PHE 29 CO 0.04 -0.79 0.63 -0.98 -0.10 0.00 0.00 175.22 174.02 2kgt s ARG 30 N -3.17 2.83 1.11 0.44 1.70 -1.26 -3.77 118.95 116.83 2kgt s ARG 30 Ca -0.02 -0.95 -0.12 0.00 -0.47 0.00 0.00 55.73 54.16 2kgt s ARG 30 Cb -0.01 -2.66 0.25 0.00 -0.57 0.00 0.00 34.95 31.96 2kgt s ARG 30 CO -0.08 -0.34 1.05 0.00 -1.08 0.00 0.00 175.30 174.85 2kgt s ALA 31 N -2.47 -0.03 0.00 7.88 0.00 -1.26 -3.71 121.76 122.16 2kgt s ALA 31 Ca 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2kgt s ALA 31 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2kgt s ALA 31 CO 0.35 -3.57 0.00 0.41 0.00 0.00 0.00 175.76 172.95 2kgt n GLY 32 N 0.44 3.08 3.77 0.00 0.00 -1.26 -4.89 105.19 106.32 2kgt n GLY 32 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.17 7.46 0.10 1.61 1.01 -1.24 -5.04 116.67 120.41 2kgt s ASP 33 Ca 0.00 1.73 -0.12 0.00 0.71 0.00 0.00 52.55 54.87 2kgt s ASP 33 Cb 0.00 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 2kgt s ASP 33 CO 0.00 0.18 0.46 0.68 0.21 0.00 0.00 175.17 176.70 2kgt s VAL 34 N -1.08 4.99 0.17 -1.27 -7.23 -1.26 -4.44 120.40 110.28 2kgt s VAL 34 Ca 0.38 0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 61.06 2kgt s VAL 34 Cb -0.24 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.02 2kgt s VAL 34 CO 0.28 0.28 0.34 0.72 -0.31 0.00 0.00 175.10 176.41 2kgt s PHE 35 N -1.42 0.27 0.16 2.82 -0.71 -0.40 -4.20 117.98 114.50 2kgt s PHE 35 Ca 0.35 -0.64 0.09 0.00 -1.04 0.00 0.00 56.93 55.69 2kgt s PHE 35 Cb -0.14 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2kgt s PHE 35 CO 0.18 -0.76 -0.20 -1.58 -1.34 0.00 0.00 175.22 171.52 2kgt s HIS 36 N -3.94 1.94 0.02 3.49 2.46 -1.22 -0.05 115.29 117.99 2kgt s HIS 36 Ca 0.15 -0.43 -0.25 0.00 0.47 0.00 0.00 55.06 55.00 2kgt s HIS 36 Cb 0.02 -0.98 -0.05 0.00 -0.13 0.00 0.00 32.58 31.44 2kgt s HIS 36 CO -0.01 0.35 0.76 0.14 -2.47 0.00 0.00 174.74 173.52 2kgt s VAL 37 N -1.80 4.79 -0.16 0.89 -7.23 -1.26 -1.75 120.40 113.89 2kgt s VAL 37 Ca 0.15 1.61 0.14 0.00 -1.81 0.00 0.00 61.98 62.07 2kgt s VAL 37 Cb -0.07 -4.11 -0.24 0.00 0.56 0.00 0.00 36.38 32.52 2kgt s VAL 37 CO 0.07 0.34 0.22 0.00 -0.31 0.00 0.00 175.10 175.42 2kgt n ALA 38 N 3.02 1.46 -3.36 1.32 0.00 -0.99 -4.96 120.51 117.00 2kgt n ALA 38 Ca -0.02 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 2kgt n ALA 38 Cb 0.50 -0.39 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.53 0.24 -0.36 0.00 1.81 -1.25 -5.04 118.95 111.83 2kgt s ARG 39 Ca -0.12 0.40 -0.07 0.00 -1.72 0.00 0.00 55.73 54.23 2kgt s ARG 39 Cb 0.07 0.03 0.05 0.00 -0.45 0.00 0.00 34.95 34.64 2kgt s ARG 39 CO 0.80 -0.09 0.14 -1.59 -0.68 0.00 0.00 175.30 173.89 2kgt s LYS 40 N 0.58 2.61 0.23 3.54 -2.85 -1.26 -1.15 119.74 121.45 2kgt s LYS 40 Ca -0.04 -1.23 0.08 0.00 -1.00 0.00 0.00 55.97 53.78 2kgt s LYS 40 Cb -0.05 -3.54 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 2kgt s LYS 40 CO -0.03 -0.72 0.05 -2.00 0.10 0.00 0.00 175.35 172.75 2kgt s GLU 41 N 1.41 2.51 0.40 1.78 2.56 -1.17 -5.02 118.70 121.18 2kgt s GLU 41 Ca -0.00 -1.21 0.20 0.00 0.00 0.00 0.00 54.97 53.96 2kgt s GLU 41 Cb -0.20 -2.34 0.80 0.00 2.00 0.00 0.00 34.13 34.39 2kgt s GLU 41 CO 0.03 0.41 1.79 1.05 -0.56 0.00 0.00 175.26 177.97 2kgt h GLU 42 N 2.06 0.00 0.00 4.30 4.11 -2.04 -3.37 114.58 119.64 2kgt h GLU 42 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kgt h GLU 42 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kgt h GLU 42 CO 0.60 0.32 0.00 1.04 0.07 0.00 0.00 179.01 181.04 2kgt n GLN 43 N -3.53 0.00 -4.42 1.06 6.02 -1.26 -5.02 117.38 110.22 2kgt n GLN 43 Ca -0.00 0.21 -0.25 0.00 -0.01 0.00 0.00 57.00 56.94 2kgt n GLN 43 Cb 0.46 -0.65 -0.10 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.78 2.36 -0.11 1.08 0.51 -1.26 -4.91 118.94 115.83 2kgt s TRP 44 Ca 0.00 -0.32 -0.04 0.00 -2.12 0.00 0.00 56.10 53.62 2kgt s TRP 44 Cb 0.00 -1.09 -0.04 0.00 -0.81 0.00 0.00 33.47 31.54 2kgt s TRP 44 CO 0.00 0.61 0.04 -1.58 -0.51 0.00 0.00 176.95 175.51 2kgt s TRP 45 N -2.11 3.28 -0.06 -1.98 0.51 -1.17 -3.01 118.94 114.39 2kgt s TRP 45 Ca 0.26 0.25 -0.19 0.00 -2.12 0.00 0.00 56.10 54.30 2kgt s TRP 45 Cb -0.07 -1.87 -0.05 0.00 -0.81 0.00 0.00 33.47 30.68 2kgt s TRP 45 CO 0.13 0.49 0.53 -1.58 -0.51 0.00 0.00 176.95 176.01 2kgt s TRP 46 N -0.74 3.60 0.07 -1.98 0.52 -0.30 -1.00 118.94 119.10 2kgt s TRP 46 Ca 0.12 1.03 0.04 0.00 0.02 0.00 0.00 56.10 57.32 2kgt s TRP 46 Cb -0.12 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.61 2kgt s TRP 46 CO 0.02 0.27 -0.12 0.00 0.02 0.00 0.00 176.95 177.14 2kgt s ALA 47 N 0.20 1.04 -0.14 0.98 0.00 -0.47 -2.35 121.76 121.01 2kgt s ALA 47 Ca 0.28 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2kgt s ALA 47 Cb -0.16 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kgt s ALA 47 CO 0.13 0.11 -0.05 0.99 0.00 0.00 0.00 175.76 176.94 2kgt s THR 48 N -1.37 0.99 -0.33 0.00 2.01 -0.71 -2.48 115.64 113.74 2kgt s THR 48 Ca -0.03 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 2kgt s THR 48 Cb -0.10 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.30 2kgt s THR 48 CO 0.02 0.21 1.10 -0.76 -0.69 0.00 0.00 174.62 174.50 2kgt s LEU 49 N 1.70 3.90 0.16 4.42 2.01 0.83 -3.42 118.68 128.27 2kgt s LEU 49 Ca 0.02 1.00 0.05 0.00 0.01 0.00 0.00 54.13 55.22 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 -0.08 -0.94 0.12 -0.76 1.01 0.00 0.00 176.35 175.71 2kgt s LEU 50 N 3.79 3.75 1.17 1.79 1.43 -1.26 0.18 118.68 129.53 2kgt s LEU 50 Ca 0.47 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 2kgt s LEU 50 Cb -0.12 -2.36 0.28 0.00 0.03 0.00 0.00 46.19 44.01 2kgt s LEU 50 CO 0.18 0.07 1.16 1.51 0.23 0.00 0.00 176.35 179.50 2kgt s ASP 51 N -3.06 1.24 0.56 2.29 1.47 0.77 -4.79 116.67 115.14 2kgt s ASP 51 Ca 0.30 0.52 0.24 0.00 1.18 0.00 0.00 52.55 54.79 2kgt s ASP 51 Cb -0.10 -0.68 1.57 0.00 -0.34 0.00 0.00 42.92 43.37 2kgt s ASP 51 CO 0.23 -3.92 2.17 1.05 0.68 0.00 0.00 175.17 175.38 2kgt h GLU 52 N -2.44 0.00 0.00 2.11 4.11 -1.98 0.11 114.58 116.49 2kgt h GLU 52 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kgt h GLU 52 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kgt h GLU 52 CO 0.33 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.41 2kgt h ALA 53 N 1.94 1.00 0.00 1.06 0.00 -2.03 -3.47 119.26 117.76 2kgt h ALA 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kgt h ALA 53 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 1.08 1.49 3.72 0.00 0.00 0.37 -5.07 105.19 106.78 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 -2.23 2.06 0.62 -0.02 0.00 -1.26 -4.54 107.32 101.95 2kgt s GLY 55 Ca 0.00 1.18 -0.18 0.00 0.00 0.00 0.00 44.72 45.72 2kgt s GLY 55 CO 0.00 2.32 0.64 0.00 0.00 0.00 0.00 173.10 176.06 2kgt n ALA 56 N 3.46 -0.88 0.05 3.20 0.00 -1.26 -0.17 120.51 124.91 2kgt n ALA 56 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kgt n ALA 56 Cb 0.42 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.89 0.00 -3.79 0.00 0.31 0.13 -4.67 118.33 108.42 2kgt n VAL 57 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.14 2kgt n VAL 57 Cb 0.48 -0.10 -0.04 0.00 -0.91 0.00 0.00 33.84 33.27 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 -1.80 3.90 0.03 3.52 0.00 0.54 -4.94 121.76 123.01 2kgt s ALA 58 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2kgt s ALA 58 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2kgt s ALA 58 CO 0.00 0.75 -0.11 -0.65 0.00 0.00 0.00 175.76 175.75 2kgt s GLN 59 N -2.57 0.71 0.00 0.00 -0.21 -1.26 -0.12 119.66 116.21 2kgt s GLN 59 Ca 0.38 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.10 2kgt s GLN 59 Cb -0.13 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.24 2kgt s GLN 59 CO 0.26 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2kgt n GLY 60 N 1.94 -1.50 3.10 3.09 0.00 -1.04 -4.70 105.19 106.09 2kgt n GLY 60 Ca -0.19 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2kgt n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgt s TYR 61 N -2.59 -0.29 0.07 1.61 -0.85 -1.22 -1.37 117.35 112.71 2kgt s TYR 61 Ca 0.00 0.71 -0.17 0.00 -0.52 0.00 0.00 57.07 57.09 2kgt s TYR 61 Cb 0.00 0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.45 2kgt s TYR 61 CO 0.00 -0.17 0.39 0.14 -1.52 0.00 0.00 175.55 174.39 2kgt s VAL 62 N 0.58 0.07 0.59 -3.49 -7.23 -0.17 -4.52 120.40 106.22 2kgt s VAL 62 Ca -0.04 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 2kgt s VAL 62 Cb -0.05 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2kgt s VAL 62 CO -0.03 -0.30 1.12 -2.16 -0.31 0.00 0.00 175.10 173.42 2kgt s PRO 63 N -2.95 3.14 0.63 4.82 0.04 -1.26 -3.07 135.00 136.35 2kgt s PRO 63 Ca -0.02 1.52 0.35 0.00 0.04 0.00 0.00 61.00 62.89 2kgt s PRO 63 Cb 0.00 -1.98 1.96 0.00 0.04 0.00 0.00 34.50 34.51 2kgt s PRO 63 CO -0.06 -1.00 2.20 1.12 0.04 0.00 0.00 177.00 179.30 2kgt h HIS 64 N 0.74 0.00 0.00 0.56 2.07 -1.94 -0.28 115.15 116.30 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 -0.97 -3.07 0.00 0.00 177.93 174.42 2kgt h ASN 65 N 0.00 0.00 0.00 3.10 -0.73 -2.00 -3.11 115.58 112.83 2kgt h ASN 65 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2kgt h ASN 65 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2kgt h ASN 65 CO -0.00 0.00 -0.51 0.00 -0.37 0.00 0.00 177.43 176.55 2kgt n TYR 66 N -3.09 0.72 -3.97 0.67 9.36 -0.12 -4.95 117.16 115.79 2kgt n TYR 66 Ca -0.03 0.31 -0.36 0.00 3.32 0.00 0.00 57.90 61.14 2kgt n TYR 66 Cb 0.07 -0.68 -0.06 0.00 -0.63 0.00 0.00 39.34 38.04 2kgt n TYR 66 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2kgt s LEU 67 N -7.78 4.24 0.03 2.98 0.05 -1.04 -4.44 118.68 112.72 2kgt s LEU 67 Ca -0.15 0.39 0.05 0.00 0.05 0.00 0.00 54.13 54.47 2kgt s LEU 67 Cb 0.02 -2.12 -0.03 0.00 -2.05 0.00 0.00 46.19 42.01 2kgt s LEU 67 CO 0.22 0.38 -0.10 0.00 -0.55 0.00 0.00 176.35 176.30 2kgt s ALA 68 N -1.06 2.92 0.49 1.48 0.00 -0.63 -4.55 121.76 120.41 2kgt s ALA 68 Ca 0.17 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 2kgt s ALA 68 Cb -0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 2kgt s ALA 68 CO 0.06 0.61 1.15 -1.83 0.00 0.00 0.00 175.76 175.75 2kgt s GLU 69 N -1.58 3.61 -0.66 0.00 -1.05 -1.26 -1.66 118.70 116.11 2kgt s GLU 69 Ca 0.17 1.71 0.05 0.00 -0.15 0.00 0.00 54.97 56.75 2kgt s GLU 69 Cb -0.11 -2.26 0.16 0.00 -0.44 0.00 0.00 34.13 31.49 2kgt s GLU 69 CO 0.08 -0.66 0.44 1.03 0.95 0.00 0.00 175.26 177.11 2kgt s ARG 70 N -2.92 2.33 0.43 -4.83 1.81 -0.46 -4.84 118.95 110.47 2kgt s ARG 70 Ca 0.67 -3.17 -0.26 0.00 -1.72 0.00 0.00 55.73 51.25 2kgt s ARG 70 Cb -0.27 -3.35 -0.09 0.00 -0.45 0.00 0.00 34.95 30.79 2kgt s ARG 70 CO 0.32 -1.25 1.37 0.39 -0.68 0.00 0.00 175.30 175.45 2kgt n GLU 71 N 2.22 2.17 0.00 3.54 -0.58 -1.26 -4.14 120.64 122.59 2kgt n GLU 71 Ca 0.17 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 2kgt n GLU 71 Cb 0.35 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.69 2kgt n GLU 71 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06