#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 5.19 0.94 1.12 0.11 -1.26 -5.08 120.40 121.42 2kgt s VAL 2 Ca 0.00 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.76 2kgt s VAL 2 Cb 0.00 -3.38 0.08 0.00 -1.53 0.00 0.00 36.38 31.56 2kgt s VAL 2 CO 0.00 0.39 0.71 -0.24 -3.33 0.00 0.00 175.10 172.64 2kgt n SER 3 N 1.23 -1.08 -0.06 3.54 2.88 -1.26 -4.96 113.62 113.90 2kgt n SER 3 Ca -0.13 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2kgt n SER 3 Cb 0.53 -1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 62.55 2kgt n SER 3 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kgt h ARG 4 N -1.71 -0.01 -6.21 -1.46 2.43 -2.11 -3.47 114.38 101.85 2kgt h ARG 4 Ca -0.43 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.24 2kgt h ARG 4 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2kgt h ARG 4 CO 0.37 0.86 -0.33 0.34 -1.51 0.00 0.00 179.97 179.70 2kgt s ASP 5 N -6.11 5.06 0.21 -3.80 2.15 -1.26 -5.15 116.67 107.78 2kgt s ASP 5 Ca -0.17 -0.79 -0.01 0.00 0.43 0.00 0.00 52.55 52.01 2kgt s ASP 5 Cb -0.02 -0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 42.19 2kgt s ASP 5 CO 0.63 -0.79 0.15 0.00 -0.17 0.00 0.00 175.17 174.99 2kgt s GLN 6 N -4.22 1.25 -0.01 4.34 0.00 -1.26 -5.07 119.66 114.69 2kgt s GLN 6 Ca 0.48 -1.63 -0.14 0.00 -0.00 0.00 0.00 55.36 54.07 2kgt s GLN 6 Cb -0.04 0.28 -0.34 0.00 0.00 0.00 0.00 33.01 32.92 2kgt s GLN 6 CO 0.29 -0.42 0.85 0.00 0.00 0.00 0.00 175.29 176.01 2kgt h ALA 7 N 2.58 -0.02 -2.83 2.60 0.00 -2.01 -3.40 119.26 116.18 2kgt h ALA 7 Ca -0.35 -0.99 -0.74 0.00 0.00 0.00 0.00 54.91 52.83 2kgt h ALA 7 Cb 1.25 0.31 -0.32 0.00 0.00 0.00 0.00 17.79 19.02 2kgt h ALA 7 CO 0.51 0.85 0.03 -1.01 0.00 0.00 0.00 179.25 179.63 2kgt s HIS 8 N -2.59 3.89 0.21 0.00 3.76 -1.26 -4.90 115.29 114.40 2kgt s HIS 8 Ca -0.12 -2.74 -0.10 0.00 -0.15 0.00 0.00 55.06 51.95 2kgt s HIS 8 Cb 0.05 -3.47 0.23 0.00 1.11 0.00 0.00 32.58 30.49 2kgt s HIS 8 CO 0.91 -0.85 1.81 -0.07 -0.85 0.00 0.00 174.74 175.69 2kgt h LEU 9 N 6.60 0.55 0.00 0.89 -0.00 -2.02 -3.44 115.31 117.89 2kgt h LEU 9 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2kgt h LEU 9 Cb 0.88 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2kgt h LEU 9 CO 0.86 0.36 0.00 0.61 -0.00 0.00 0.00 178.44 180.27 2kgt n GLY 10 N -1.28 1.85 3.62 0.83 0.00 -1.26 -5.11 105.19 103.83 2kgt n GLY 10 Ca 0.08 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 0.10 -0.75 0.30 1.61 0.04 -1.26 -5.06 135.00 129.97 2kgt s PRO 11 Ca 0.00 0.11 0.05 0.00 0.04 0.00 0.00 61.00 61.20 2kgt s PRO 11 Cb 0.00 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2kgt s PRO 11 CO 0.00 -3.44 0.44 0.15 0.04 0.00 0.00 177.00 174.19 2kgt s LYS 12 N -5.26 3.31 -0.01 4.56 3.01 -1.26 -5.04 119.74 119.04 2kgt s LYS 12 Ca 0.69 -0.79 0.05 0.00 -1.01 0.00 0.00 55.97 54.92 2kgt s LYS 12 Cb -0.13 -2.82 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 2kgt s LYS 12 CO 0.57 0.22 -0.17 0.71 0.51 0.00 0.00 175.35 177.19 2kgt s TYR 13 N -2.12 2.61 0.02 3.18 1.51 -1.09 -4.05 117.35 117.41 2kgt s TYR 13 Ca 0.39 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 2kgt s TYR 13 Cb -0.09 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 2kgt s TYR 13 CO 0.31 0.18 -0.03 0.54 -1.11 0.00 0.00 175.55 175.45 2kgt s VAL 14 N -0.79 0.13 0.00 0.71 0.11 -1.19 -0.16 120.40 119.20 2kgt s VAL 14 Ca 0.12 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 2kgt s VAL 14 Cb -0.10 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 2kgt s VAL 14 CO 0.02 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.07 2kgt n GLY 15 N 2.05 -1.20 2.43 6.54 0.00 -1.26 -2.67 105.19 111.08 2kgt n GLY 15 Ca -0.20 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 1.28 -4.20 0.99 7.99 -1.26 -2.74 117.00 119.06 2kgt n LEU 16 Ca 0.00 -4.86 -0.35 0.00 -0.01 0.00 0.00 56.01 50.79 2kgt n LEU 16 Cb 0.00 0.08 0.09 0.00 -0.11 0.00 0.00 43.42 43.47 2kgt n LEU 16 CO 0.00 1.95 -0.85 1.87 -1.51 0.00 0.00 177.39 178.85 2kgt n TRP 17 N 1.79 -2.74 -1.50 -1.77 -0.00 -1.26 -0.01 117.44 111.95 2kgt n TRP 17 Ca 0.25 0.18 -0.42 0.00 -0.00 0.00 0.00 57.50 57.51 2kgt n TRP 17 Cb 0.46 -1.58 -0.09 0.00 -0.00 0.00 0.00 31.31 30.10 2kgt n TRP 17 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2kgt n ASP 18 N 0.89 1.33 -3.66 5.87 5.68 -1.26 -4.20 116.55 121.21 2kgt n ASP 18 Ca 0.02 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.19 2kgt n ASP 18 Cb 0.59 -1.21 -0.12 0.00 -1.14 0.00 0.00 41.12 39.24 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2kgt s PHE 19 N 9.71 -0.57 -0.33 2.11 2.19 -1.15 -5.00 117.98 124.93 2kgt s PHE 19 Ca 1.18 1.18 0.04 0.00 0.33 0.00 0.00 56.93 59.65 2kgt s PHE 19 Cb -0.82 0.09 0.10 0.00 -1.31 0.00 0.00 43.02 41.07 2kgt s PHE 19 CO 0.42 -0.40 0.04 0.15 1.83 0.00 0.00 175.22 177.26 2kgt s LYS 20 N 2.49 1.47 0.41 10.12 -0.14 -1.26 -2.42 119.74 130.42 2kgt s LYS 20 Ca 0.00 -1.79 -0.04 0.00 -1.36 0.00 0.00 55.97 52.78 2kgt s LYS 20 Cb -0.12 -3.11 0.09 0.00 -1.68 0.00 0.00 37.83 33.01 2kgt s LYS 20 CO -0.10 -0.92 0.56 -1.13 -0.76 0.00 0.00 175.35 173.00 2kgt n SER 21 N 4.30 0.39 -0.22 2.83 3.41 -1.23 -5.01 113.62 118.09 2kgt n SER 21 Ca 0.03 -1.42 0.07 0.00 -0.26 0.00 0.00 58.87 57.29 2kgt n SER 21 Cb 0.42 -0.40 0.09 0.00 -0.26 0.00 0.00 64.21 64.06 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kgt n ARG 22 N -2.12 0.84 -4.04 4.33 1.85 -1.26 -4.86 116.66 111.40 2kgt n ARG 22 Ca 0.08 -2.04 -0.10 0.00 -1.00 0.00 0.00 57.85 54.79 2kgt n ARG 22 Cb 0.29 -1.16 -0.07 0.00 -1.05 0.00 0.00 32.46 30.47 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 -1.89 0.03 0.28 8.89 -4.23 -1.26 -5.04 115.64 112.42 2kgt s THR 23 Ca 0.21 -1.58 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 2kgt s THR 23 Cb 0.19 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.97 2kgt s THR 23 CO 0.02 -0.16 1.72 0.44 -0.54 0.00 0.00 174.62 176.10 2kgt h ASP 24 N 2.51 0.00 -0.71 3.99 3.32 -1.98 -2.96 116.42 120.59 2kgt h ASP 24 Ca -0.31 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.94 2kgt h ASP 24 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2kgt h ASP 24 CO 0.47 0.47 0.54 1.05 -1.72 0.00 0.00 179.24 180.05 2kgt h GLU 25 N 0.00 0.00 -5.85 3.56 4.11 -1.89 -3.32 114.58 111.18 2kgt h GLU 25 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.91 2kgt h GLU 25 Cb 0.90 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.99 2kgt h GLU 25 CO 0.06 0.00 -0.76 -1.21 0.07 0.00 0.00 179.01 177.17 2kgt s GLU 26 N -4.92 1.36 0.28 1.06 2.02 -1.12 -3.47 118.70 113.91 2kgt s GLU 26 Ca -0.05 -1.54 -0.02 0.00 0.02 0.00 0.00 54.97 53.38 2kgt s GLU 26 Cb 0.20 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 2kgt s GLU 26 CO 0.72 0.25 0.50 -0.51 0.02 0.00 0.00 175.26 176.24 2kgt s LEU 27 N -3.05 4.10 -0.71 1.80 1.43 -1.26 -4.65 118.68 116.34 2kgt s LEU 27 Ca 0.21 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2kgt s LEU 27 Cb -0.04 -3.35 0.18 0.00 0.03 0.00 0.00 46.19 43.01 2kgt s LEU 27 CO 0.08 -0.17 0.52 -1.54 0.23 0.00 0.00 176.35 175.47 2kgt n SER 28 N -1.08 3.13 -3.62 2.29 3.41 -1.26 -3.55 113.62 112.93 2kgt n SER 28 Ca -0.04 -3.23 -0.10 0.00 -0.26 0.00 0.00 58.87 55.25 2kgt n SER 28 Cb 0.54 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2kgt n SER 28 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2kgt s PHE 29 N -1.55 -0.37 0.48 7.33 5.36 -1.02 -4.94 117.98 123.27 2kgt s PHE 29 Ca 0.26 0.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.29 2kgt s PHE 29 Cb -0.03 0.61 0.01 0.00 -0.34 0.00 0.00 43.02 43.27 2kgt s PHE 29 CO -0.16 -1.02 0.70 -0.98 -1.46 0.00 0.00 175.22 172.30 2kgt s ARG 30 N -3.83 2.92 1.11 10.12 1.70 -1.26 -2.94 118.95 126.77 2kgt s ARG 30 Ca 0.06 -0.58 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 2kgt s ARG 30 Cb -0.03 -2.54 0.25 0.00 -0.57 0.00 0.00 34.95 32.06 2kgt s ARG 30 CO -0.04 -0.39 1.05 0.00 -1.08 0.00 0.00 175.30 174.84 2kgt s ALA 31 N -2.61 0.00 0.00 7.88 0.00 0.98 -3.72 121.76 124.30 2kgt s ALA 31 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.39 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 0.38 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 173.01 2kgt n GLY 32 N 0.39 3.09 3.77 0.00 0.00 -1.26 -4.97 105.19 106.21 2kgt n GLY 32 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.19 7.07 0.12 1.61 2.15 -1.24 -5.01 116.67 121.17 2kgt s ASP 33 Ca 0.00 2.07 -0.13 0.00 0.43 0.00 0.00 52.55 54.92 2kgt s ASP 33 Cb 0.00 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.96 2kgt s ASP 33 CO 0.00 -0.27 0.50 0.68 -0.17 0.00 0.00 175.17 175.91 2kgt s VAL 34 N -1.47 4.93 0.12 1.11 -7.23 -1.26 -4.39 120.40 112.21 2kgt s VAL 34 Ca 0.51 0.72 0.03 0.00 -1.81 0.00 0.00 61.98 61.43 2kgt s VAL 34 Cb -0.25 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 2kgt s VAL 34 CO 0.31 0.27 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.93 2kgt s PHE 35 N -1.43 1.02 -0.04 2.82 0.40 0.77 -4.42 117.98 117.09 2kgt s PHE 35 Ca 0.36 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 2kgt s PHE 35 Cb -0.15 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.83 2kgt s PHE 35 CO 0.19 -0.07 -0.09 -1.58 0.70 0.00 0.00 175.22 174.36 2kgt s HIS 36 N -3.53 1.08 -0.09 0.36 2.46 -1.23 -2.65 115.29 111.70 2kgt s HIS 36 Ca 0.14 -0.32 -0.29 0.00 0.47 0.00 0.00 55.06 55.06 2kgt s HIS 36 Cb 0.04 -0.80 -0.02 0.00 -0.13 0.00 0.00 32.58 31.67 2kgt s HIS 36 CO -0.03 -0.17 0.96 0.14 -2.47 0.00 0.00 174.74 173.18 2kgt s VAL 37 N 0.45 4.83 -0.13 0.89 -7.23 -1.26 -2.55 120.40 115.39 2kgt s VAL 37 Ca -0.08 1.96 0.18 0.00 -1.81 0.00 0.00 61.98 62.23 2kgt s VAL 37 Cb -0.12 -4.28 -0.24 0.00 0.56 0.00 0.00 36.38 32.31 2kgt s VAL 37 CO 0.01 0.05 0.41 0.00 -0.31 0.00 0.00 175.10 175.26 2kgt n ALA 38 N 4.76 1.86 -3.27 1.32 0.00 -0.86 -4.97 120.51 119.36 2kgt n ALA 38 Ca 0.07 -0.91 -0.13 0.00 0.00 0.00 0.00 53.44 52.46 2kgt n ALA 38 Cb 0.49 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.81 0.52 -0.26 0.00 1.81 -1.24 -5.02 118.95 111.95 2kgt s ARG 39 Ca -0.07 0.32 0.02 0.00 -1.72 0.00 0.00 55.73 54.28 2kgt s ARG 39 Cb 0.08 0.24 0.05 0.00 -0.45 0.00 0.00 34.95 34.88 2kgt s ARG 39 CO 0.84 -0.10 -0.10 -1.59 -0.68 0.00 0.00 175.30 173.68 2kgt s LYS 40 N -0.25 2.40 0.43 3.54 0.00 -1.26 -0.11 119.74 124.48 2kgt s LYS 40 Ca -0.04 -1.25 0.08 0.00 0.00 0.00 0.00 55.97 54.76 2kgt s LYS 40 Cb -0.03 -2.92 0.01 0.00 0.00 0.00 0.00 37.83 34.89 2kgt s LYS 40 CO 0.02 -0.53 0.56 -2.00 0.00 0.00 0.00 175.35 173.40 2kgt s GLU 41 N 1.16 2.74 0.33 1.78 2.12 -1.09 -5.01 118.70 120.73 2kgt s GLU 41 Ca -0.06 -1.32 0.16 0.00 0.36 0.00 0.00 54.97 54.10 2kgt s GLU 41 Cb -0.19 -2.69 0.52 0.00 0.26 0.00 0.00 34.13 32.03 2kgt s GLU 41 CO -0.05 -0.32 1.66 1.05 -0.54 0.00 0.00 175.26 177.06 2kgt h GLU 42 N 0.65 0.00 0.00 4.30 4.11 -2.04 -3.39 114.58 118.21 2kgt h GLU 42 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2kgt h GLU 42 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kgt h GLU 42 CO 0.46 0.46 0.00 1.04 0.07 0.00 0.00 179.01 181.05 2kgt n GLN 43 N -3.55 0.00 -4.37 1.06 1.13 -1.26 -5.05 117.38 105.34 2kgt n GLN 43 Ca -0.00 0.07 -0.25 0.00 -1.94 0.00 0.00 57.00 54.87 2kgt n GLN 43 Cb 0.57 -0.43 -0.10 0.00 0.11 0.00 0.00 30.24 30.39 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2kgt s TRP 44 N -0.66 2.47 -0.10 1.08 0.23 -1.26 -4.93 118.94 115.77 2kgt s TRP 44 Ca 0.00 -0.28 -0.04 0.00 -2.03 0.00 0.00 56.10 53.75 2kgt s TRP 44 Cb 0.00 -1.14 -0.04 0.00 0.03 0.00 0.00 33.47 32.32 2kgt s TRP 44 CO 0.00 0.60 0.04 -1.58 0.96 0.00 0.00 176.95 176.97 2kgt s TRP 45 N -2.09 3.29 -0.02 -1.98 0.51 -1.25 -2.67 118.94 114.73 2kgt s TRP 45 Ca 0.27 0.27 -0.28 0.00 -2.12 0.00 0.00 56.10 54.24 2kgt s TRP 45 Cb -0.07 -1.86 -0.03 0.00 -0.81 0.00 0.00 33.47 30.70 2kgt s TRP 45 CO 0.15 0.51 0.91 -1.58 -0.51 0.00 0.00 176.95 176.43 2kgt s TRP 46 N -0.80 3.63 0.09 -1.98 0.52 0.84 -3.12 118.94 118.12 2kgt s TRP 46 Ca 0.13 1.58 0.04 0.00 0.02 0.00 0.00 56.10 57.86 2kgt s TRP 46 Cb -0.12 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 2kgt s TRP 46 CO 0.03 0.00 -0.10 0.00 0.02 0.00 0.00 176.95 176.89 2kgt s ALA 47 N 1.02 1.06 -0.03 0.98 0.00 -1.14 -2.02 121.76 121.64 2kgt s ALA 47 Ca 0.48 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2kgt s ALA 47 Cb -0.20 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2kgt s ALA 47 CO 0.25 -0.02 -0.10 0.99 0.00 0.00 0.00 175.76 176.88 2kgt s THR 48 N -2.24 0.84 -0.27 0.00 2.01 -1.06 -2.45 115.64 112.47 2kgt s THR 48 Ca 0.03 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 2kgt s THR 48 Cb -0.04 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2kgt s THR 48 CO 0.00 0.26 0.41 -0.22 -0.69 0.00 0.00 174.62 174.38 2kgt s LEU 49 N 0.23 4.05 0.30 4.42 2.96 -0.67 -3.49 118.68 126.48 2kgt s LEU 49 Ca -0.04 0.34 0.09 0.00 -0.22 0.00 0.00 54.13 54.30 2kgt s LEU 49 Cb -0.09 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2kgt s LEU 49 CO 0.01 -0.21 0.05 -0.76 -1.32 0.00 0.00 176.35 174.12 2kgt s LEU 50 N 2.13 3.21 1.04 -0.68 1.43 -1.26 -0.11 118.68 124.43 2kgt s LEU 50 Ca 0.16 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 2kgt s LEU 50 Cb -0.16 -1.70 0.24 0.00 0.03 0.00 0.00 46.19 44.60 2kgt s LEU 50 CO 0.10 -0.13 1.31 -1.81 0.23 0.00 0.00 176.35 176.05 2kgt s ASP 51 N -3.74 2.44 0.54 2.29 1.01 0.81 -4.83 116.67 115.19 2kgt s ASP 51 Ca 0.34 0.23 0.20 0.00 0.71 0.00 0.00 52.55 54.03 2kgt s ASP 51 Cb -0.04 -0.21 1.40 0.00 1.01 0.00 0.00 42.92 45.07 2kgt s ASP 51 CO 0.21 -3.15 2.15 1.05 0.21 0.00 0.00 175.17 175.64 2kgt h GLU 52 N -1.93 0.00 0.00 8.23 4.11 -2.00 0.71 114.58 123.71 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kgt h GLU 52 CO 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.39 2kgt h ALA 53 N 1.95 1.00 0.00 1.06 0.00 -2.03 -3.47 119.26 117.77 2kgt h ALA 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 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 1.17 1.29 3.70 0.00 0.00 0.24 -5.07 105.19 106.52 2kgt n GLY 54 Ca 0.05 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 -2.15 1.72 0.78 -0.02 0.00 -1.26 -4.50 107.32 101.90 2kgt s GLY 55 Ca 0.00 1.13 -0.15 0.00 0.00 0.00 0.00 44.72 45.70 2kgt s GLY 55 CO 0.00 2.63 0.49 0.00 0.00 0.00 0.00 173.10 176.22 2kgt n ALA 56 N 4.91 -1.81 0.06 3.20 0.00 -1.26 -0.13 120.51 125.47 2kgt n ALA 56 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kgt n ALA 56 Cb 0.41 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.69 0.00 -4.22 0.00 0.31 0.84 -4.67 118.33 107.90 2kgt n VAL 57 Ca 0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.19 2kgt n VAL 57 Cb 0.51 -0.18 -0.07 0.00 -0.91 0.00 0.00 33.84 33.18 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 -1.95 3.33 -0.05 3.52 0.00 -0.89 -5.00 121.76 120.72 2kgt s ALA 58 Ca 0.00 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.15 2kgt s ALA 58 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2kgt s ALA 58 CO 0.00 0.10 -0.06 -0.65 0.00 0.00 0.00 175.76 175.15 2kgt s GLN 59 N -3.77 1.02 -0.25 0.00 -0.21 -1.26 -1.66 119.66 113.52 2kgt s GLN 59 Ca 0.35 -0.17 -0.31 0.00 0.02 0.00 0.00 55.36 55.26 2kgt s GLN 59 Cb -0.03 -0.98 0.17 0.00 1.00 0.00 0.00 33.01 33.18 2kgt s GLN 59 CO 0.21 -0.07 1.28 0.20 -2.12 0.00 0.00 175.29 174.79 2kgt s GLY 60 N 0.91 -0.03 0.26 3.09 0.00 -1.03 -4.66 107.32 105.86 2kgt s GLY 60 Ca -0.11 2.50 0.08 0.00 0.00 0.00 0.00 44.72 47.19 2kgt s GLY 60 CO 0.00 1.00 0.16 -2.52 0.00 0.00 0.00 173.10 171.74 2kgt s TYR 61 N -1.25 3.00 0.06 1.90 -0.85 -1.23 -2.86 117.35 116.13 2kgt s TYR 61 Ca 0.07 -0.15 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 2kgt s TYR 61 Cb -0.01 -1.38 0.03 0.00 0.38 0.00 0.00 41.96 40.98 2kgt s TYR 61 CO -0.06 0.52 0.39 0.14 -1.52 0.00 0.00 175.55 175.02 2kgt s VAL 62 N -2.19 0.07 0.51 -3.49 -7.23 -1.18 -4.34 120.40 102.54 2kgt s VAL 62 Ca 0.33 -0.54 -0.21 0.00 -1.81 0.00 0.00 61.98 59.75 2kgt s VAL 62 Cb -0.07 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 2kgt s VAL 62 CO 0.24 -0.30 1.14 -2.16 -0.31 0.00 0.00 175.10 173.72 2kgt s PRO 63 N -2.82 3.53 0.62 4.82 0.04 -1.26 -3.88 135.00 136.05 2kgt s PRO 63 Ca -0.03 1.68 0.33 0.00 0.04 0.00 0.00 61.00 63.02 2kgt s PRO 63 Cb -0.00 -2.18 1.88 0.00 0.04 0.00 0.00 34.50 34.24 2kgt s PRO 63 CO -0.05 -0.72 2.17 1.12 0.04 0.00 0.00 177.00 179.56 2kgt h HIS 64 N 1.57 0.00 0.00 0.56 2.07 -1.91 0.21 115.15 117.64 2kgt h HIS 64 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 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 0.52 0.00 0.00 -0.97 -3.07 0.00 0.00 177.93 174.41 2kgt h ASN 65 N 0.00 0.00 0.00 3.10 -0.73 -2.01 -3.32 115.58 112.62 2kgt h ASN 65 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2kgt h ASN 65 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2kgt h ASN 65 CO -0.00 0.00 -0.02 0.22 -0.37 0.00 0.00 177.43 177.26 2kgt h TYR 66 N 0.00 0.00 -2.77 0.67 5.03 -0.91 -3.47 116.97 115.52 2kgt h TYR 66 Ca 0.00 0.00 -0.47 0.00 2.58 0.00 0.00 58.73 60.84 2kgt h TYR 66 Cb 0.55 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.84 2kgt h TYR 66 CO 0.00 0.00 -0.17 -0.48 -1.32 0.00 0.00 178.16 176.19 2kgt s LEU 67 N -5.59 3.92 -0.00 2.82 2.34 -1.11 -4.68 118.68 116.38 2kgt s LEU 67 Ca -0.01 0.40 -0.03 0.00 0.06 0.00 0.00 54.13 54.55 2kgt s LEU 67 Cb 0.00 -3.27 -0.00 0.00 -0.56 0.00 0.00 46.19 42.36 2kgt s LEU 67 CO 0.01 -0.40 0.06 0.00 -1.06 0.00 0.00 176.35 174.96 2kgt s ALA 68 N -2.38 -0.14 0.78 1.48 0.00 -1.09 -4.73 121.76 115.68 2kgt s ALA 68 Ca 0.42 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2kgt s ALA 68 Cb -0.10 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.13 2kgt s ALA 68 CO 0.36 -0.14 1.12 -1.83 0.00 0.00 0.00 175.76 175.28 2kgt s GLU 69 N -0.97 2.07 -0.07 0.00 -1.05 -1.26 -3.17 118.70 114.25 2kgt s GLU 69 Ca -0.11 1.36 0.14 0.00 -0.15 0.00 0.00 54.97 56.22 2kgt s GLU 69 Cb -0.06 -1.86 0.28 0.00 -0.44 0.00 0.00 34.13 32.04 2kgt s GLU 69 CO 0.00 -1.81 1.13 0.54 0.95 0.00 0.00 175.26 176.07 2kgt n ARG 70 N -3.37 0.58 -0.70 -4.83 1.74 -1.26 -4.87 116.66 103.94 2kgt n ARG 70 Ca 0.10 -2.10 -0.29 0.00 -0.77 0.00 0.00 57.85 54.79 2kgt n ARG 70 Cb 0.52 -0.77 0.25 0.00 -1.02 0.00 0.00 32.46 31.44 2kgt n ARG 70 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2kgt s GLU 71 N -1.23 -1.30 0.00 5.56 4.04 -1.26 -4.96 118.70 119.55 2kgt s GLU 71 Ca 0.25 0.44 0.25 0.00 0.04 0.00 0.00 54.97 55.95 2kgt s GLU 71 Cb 0.25 -1.54 0.51 0.00 0.02 0.00 0.00 34.13 33.37 2kgt s GLU 71 CO -0.06 -3.87 1.44 2.41 -1.84 0.00 0.00 175.26 173.33