#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 -0.03 0.13 2.03 0.11 -1.26 -5.15 120.40 116.23 2kgt s VAL 2 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2kgt s VAL 2 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2kgt s VAL 2 CO 0.00 0.00 1.20 -0.44 -3.33 0.00 0.00 175.10 172.53 2kgt s SER 3 N 1.32 7.08 0.05 3.54 0.01 -1.26 -4.96 113.70 119.48 2kgt s SER 3 Ca -0.08 2.13 -0.28 0.00 1.31 0.00 0.00 55.95 59.04 2kgt s SER 3 Cb -0.03 -2.59 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 2kgt s SER 3 CO -0.13 -0.42 1.47 0.03 0.41 0.00 0.00 173.24 174.60 2kgt h ARG 4 N 5.98 -0.53 -6.10 12.44 3.08 -2.06 -3.47 114.38 123.72 2kgt h ARG 4 Ca -0.43 0.04 -0.43 0.00 0.07 0.00 0.00 59.98 59.23 2kgt h ARG 4 Cb 1.21 0.12 0.04 0.00 0.08 0.00 0.00 29.97 31.43 2kgt h ARG 4 CO 0.78 -0.27 -0.80 -0.25 -1.07 0.00 0.00 179.97 178.35 2kgt n ASP 5 N -5.27 -2.36 -4.74 7.04 8.00 -1.26 -4.94 116.55 113.02 2kgt n ASP 5 Ca -0.11 -0.78 -0.31 0.00 0.71 0.00 0.00 54.79 54.30 2kgt n ASP 5 Cb 0.27 -4.13 0.11 0.00 -0.02 0.00 0.00 41.12 37.34 2kgt n ASP 5 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2kgt s GLN 6 N -6.11 1.96 0.50 -1.24 0.74 -1.26 -4.91 119.66 109.34 2kgt s GLN 6 Ca 0.19 1.32 0.14 0.00 0.05 0.00 0.00 55.36 57.07 2kgt s GLN 6 Cb -0.09 -1.85 1.19 0.00 1.10 0.00 0.00 33.01 33.35 2kgt s GLN 6 CO 0.81 -1.89 2.13 0.00 -0.55 0.00 0.00 175.29 175.79 2kgt h ALA 7 N -1.19 1.94 -3.08 1.58 0.00 -1.94 -3.42 119.26 113.15 2kgt h ALA 7 Ca -0.44 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2kgt h ALA 7 Cb 1.25 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 2kgt h ALA 7 CO 0.49 0.05 -0.41 -3.38 0.00 0.00 0.00 179.25 176.00 2kgt s HIS 8 N -5.12 -0.30 0.13 0.00 0.00 -1.26 -5.17 115.29 103.57 2kgt s HIS 8 Ca -0.05 0.73 0.06 0.00 -3.00 0.00 0.00 55.06 52.80 2kgt s HIS 8 Cb 0.17 0.10 -0.04 0.00 -4.00 0.00 0.00 32.58 28.81 2kgt s HIS 8 CO 0.68 -0.15 -0.15 -0.51 -1.00 0.00 0.00 174.74 173.61 2kgt s LEU 9 N 0.28 2.41 0.00 5.38 1.43 -1.26 -5.13 118.68 121.79 2kgt s LEU 9 Ca -0.01 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2kgt s LEU 9 Cb -0.03 -0.62 0.01 0.00 0.03 0.00 0.00 46.19 45.59 2kgt s LEU 9 CO -0.01 -0.12 0.14 0.61 0.23 0.00 0.00 176.35 177.21 2kgt n GLY 10 N 0.48 0.83 3.36 -3.19 0.00 -1.26 -5.06 105.19 100.35 2kgt n GLY 10 Ca -0.15 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.10 1.50 -1.75 1.61 -0.04 -1.26 -4.73 135.00 130.23 2kgt n PRO 11 Ca 0.00 -2.14 -0.30 0.00 -0.04 0.00 0.00 63.50 61.03 2kgt n PRO 11 Cb 0.07 -3.32 0.08 0.00 -0.04 0.00 0.00 33.50 30.30 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 5.81 2.15 -0.09 0.54 3.01 -1.24 -4.72 119.74 125.19 2kgt s LYS 12 Ca 0.63 0.39 0.02 0.00 -1.01 0.00 0.00 55.97 56.01 2kgt s LYS 12 Cb 0.07 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.92 2kgt s LYS 12 CO 0.14 -1.52 -0.15 0.71 0.51 0.00 0.00 175.35 175.03 2kgt s TYR 13 N -3.35 2.71 -0.00 3.18 1.51 0.30 -1.92 117.35 119.78 2kgt s TYR 13 Ca 0.61 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 56.17 2kgt s TYR 13 Cb -0.12 -1.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 2kgt s TYR 13 CO 0.52 -0.06 0.05 0.54 -1.11 0.00 0.00 175.55 175.49 2kgt s VAL 14 N -0.15 0.06 -2.70 0.71 0.11 -0.26 -0.07 120.40 118.10 2kgt s VAL 14 Ca -0.01 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2kgt s VAL 14 Cb -0.14 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2kgt s VAL 14 CO 0.03 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 2kgt n GLY 15 N 2.14 -0.59 2.73 6.54 0.00 -1.26 -1.90 105.19 112.84 2kgt n GLY 15 Ca -0.19 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 -7.69 -4.55 0.99 7.99 -1.26 -3.82 117.00 108.66 2kgt n LEU 16 Ca 0.00 0.86 -0.37 0.00 -0.01 0.00 0.00 56.01 56.49 2kgt n LEU 16 Cb 0.00 -3.26 -0.03 0.00 -0.11 0.00 0.00 43.42 40.02 2kgt n LEU 16 CO 0.00 -2.58 1.84 0.26 -1.51 0.00 0.00 177.39 175.40 2kgt s TRP 17 N -2.13 1.33 -0.62 -1.77 0.51 -1.26 -1.46 118.94 113.55 2kgt s TRP 17 Ca 0.14 1.22 -0.22 0.00 -2.12 0.00 0.00 56.10 55.12 2kgt s TRP 17 Cb -0.04 -3.81 0.03 0.00 -0.81 0.00 0.00 33.47 28.85 2kgt s TRP 17 CO 0.74 -2.45 0.64 -0.40 -0.51 0.00 0.00 176.95 174.97 2kgt n ASP 18 N 14.49 -5.20 -3.69 2.95 5.75 -1.26 -4.84 116.55 124.75 2kgt n ASP 18 Ca 0.29 -0.53 -0.19 0.00 -0.01 0.00 0.00 54.79 54.36 2kgt n ASP 18 Cb 0.54 -1.65 -0.17 0.00 -1.03 0.00 0.00 41.12 38.80 2kgt n ASP 18 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2kgt s PHE 19 N -2.16 0.04 -0.16 2.11 0.08 -1.21 -4.98 117.98 111.71 2kgt s PHE 19 Ca 0.21 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2kgt s PHE 19 Cb -0.02 -0.41 0.03 0.00 -0.57 0.00 0.00 43.02 42.05 2kgt s PHE 19 CO 0.89 -0.17 -0.11 0.15 -0.10 0.00 0.00 175.22 175.87 2kgt s LYS 20 N 1.94 2.00 0.78 0.44 -0.14 -1.26 -2.89 119.74 120.60 2kgt s LYS 20 Ca 0.02 -0.59 -0.06 0.00 -1.36 0.00 0.00 55.97 53.98 2kgt s LYS 20 Cb -0.12 -2.11 0.17 0.00 -1.68 0.00 0.00 37.83 34.08 2kgt s LYS 20 CO -0.03 -0.32 1.07 0.43 -0.76 0.00 0.00 175.35 175.73 2kgt n SER 21 N 4.78 0.87 -1.14 2.83 7.64 -1.22 -4.97 113.62 122.42 2kgt n SER 21 Ca -0.15 -1.87 0.04 0.00 1.01 0.00 0.00 58.87 57.90 2kgt n SER 21 Cb 0.49 -0.74 0.07 0.00 -1.01 0.00 0.00 64.21 63.01 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kgt n ARG 22 N -3.09 0.43 -3.93 1.43 1.85 -1.26 -4.70 116.66 107.39 2kgt n ARG 22 Ca 0.16 -2.24 -0.09 0.00 -1.00 0.00 0.00 57.85 54.68 2kgt n ARG 22 Cb 0.56 -0.49 -0.07 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.88 0.11 -0.01 8.89 -4.23 -1.26 -5.03 115.64 113.23 2kgt s THR 23 Ca 0.32 -1.33 0.32 0.00 -1.18 0.00 0.00 61.69 59.81 2kgt s THR 23 Cb 0.34 -1.59 0.37 0.00 1.34 0.00 0.00 72.50 72.96 2kgt s THR 23 CO -0.12 -0.51 1.93 0.44 -0.54 0.00 0.00 174.62 175.82 2kgt h ASP 24 N 2.69 0.00 0.54 3.99 3.32 -1.98 -2.50 116.42 122.47 2kgt h ASP 24 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2kgt h ASP 24 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2kgt h ASP 24 CO 0.54 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 176.22 2kgt n GLU 25 N -2.98 0.07 -3.94 3.56 0.28 -1.26 -3.82 120.64 112.55 2kgt n GLU 25 Ca 0.01 0.17 -0.09 0.00 -0.16 0.00 0.00 57.16 57.09 2kgt n GLU 25 Cb 0.31 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.59 2kgt n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kgt s GLU 26 N -2.88 0.67 0.09 3.44 2.02 -0.94 -4.24 118.70 116.86 2kgt s GLU 26 Ca 0.11 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2kgt s GLU 26 Cb 0.12 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 2kgt s GLU 26 CO 0.31 -0.18 0.24 -0.51 0.02 0.00 0.00 175.26 175.15 2kgt s LEU 27 N -2.53 4.35 -0.48 1.80 1.02 -1.26 -4.53 118.68 117.04 2kgt s LEU 27 Ca 0.01 0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.40 2kgt s LEU 27 Cb 0.03 -2.99 0.13 0.00 0.02 0.00 0.00 46.19 43.38 2kgt s LEU 27 CO -0.08 0.13 0.29 -0.55 0.02 0.00 0.00 176.35 176.17 2kgt s SER 28 N -2.65 5.31 0.19 2.29 0.15 -1.26 -3.40 113.70 114.32 2kgt s SER 28 Ca 0.35 -2.27 -0.20 0.00 0.70 0.00 0.00 55.95 54.53 2kgt s SER 28 Cb -0.13 -1.86 0.04 0.00 -1.71 0.00 0.00 66.02 62.37 2kgt s SER 28 CO 0.28 -0.51 0.57 0.72 1.20 0.00 0.00 173.24 175.51 2kgt s PHE 29 N 0.80 -0.30 0.30 3.44 -0.71 -1.14 -4.93 117.98 115.43 2kgt s PHE 29 Ca 0.11 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 56.04 2kgt s PHE 29 Cb -0.22 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.06 2kgt s PHE 29 CO -0.04 -0.92 0.44 -0.98 -1.34 0.00 0.00 175.22 172.38 2kgt s ARG 30 N -3.83 3.29 0.49 1.99 3.03 -1.26 -3.29 118.95 119.38 2kgt s ARG 30 Ca 0.06 -0.82 -0.24 0.00 2.03 0.00 0.00 55.73 56.76 2kgt s ARG 30 Cb -0.02 -2.83 -0.07 0.00 -1.03 0.00 0.00 34.95 31.01 2kgt s ARG 30 CO -0.06 0.22 1.39 0.00 -1.13 0.00 0.00 175.30 175.72 2kgt s ALA 31 N -2.12 3.06 0.00 7.88 0.00 -0.53 -2.99 121.76 127.07 2kgt s ALA 31 Ca 0.40 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2kgt s ALA 31 Cb -0.09 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kgt s ALA 31 CO 0.31 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2kgt n GLY 32 N 0.64 2.83 3.76 0.00 0.00 -1.26 -4.89 105.19 106.27 2kgt n GLY 32 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.32 5.53 0.10 1.61 1.11 -1.16 -4.97 116.67 118.57 2kgt s ASP 33 Ca 0.00 2.54 -0.14 0.00 0.18 0.00 0.00 52.55 55.12 2kgt s ASP 33 Cb 0.00 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.31 2kgt s ASP 33 CO 0.00 -1.37 0.50 0.68 1.18 0.00 0.00 175.17 176.16 2kgt s VAL 34 N -1.44 4.91 0.10 -1.27 -7.23 -1.26 -4.34 120.40 109.87 2kgt s VAL 34 Ca 0.70 0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2kgt s VAL 34 Cb -0.34 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 2kgt s VAL 34 CO 0.40 0.35 -0.01 -0.36 -0.31 0.00 0.00 175.10 175.17 2kgt s PHE 35 N -1.34 0.78 -0.02 2.82 0.40 0.90 -4.38 117.98 117.14 2kgt s PHE 35 Ca 0.33 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 2kgt s PHE 35 Cb -0.16 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.91 2kgt s PHE 35 CO 0.18 -0.35 0.01 -1.58 0.70 0.00 0.00 175.22 174.17 2kgt s HIS 36 N -3.87 0.18 0.08 0.36 2.46 -1.23 -0.54 115.29 112.73 2kgt s HIS 36 Ca 0.15 0.03 -0.30 0.00 0.47 0.00 0.00 55.06 55.42 2kgt s HIS 36 Cb 0.07 -0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2kgt s HIS 36 CO -0.04 -0.08 0.96 0.14 -2.47 0.00 0.00 174.74 173.25 2kgt s VAL 37 N 0.75 4.61 -0.04 0.89 -7.23 -1.26 -3.35 120.40 114.77 2kgt s VAL 37 Ca -0.07 2.05 0.08 0.00 -1.81 0.00 0.00 61.98 62.24 2kgt s VAL 37 Cb -0.10 -4.32 -0.12 0.00 0.56 0.00 0.00 36.38 32.40 2kgt s VAL 37 CO -0.02 0.27 0.12 0.00 -0.31 0.00 0.00 175.10 175.17 2kgt n ALA 38 N 3.10 2.10 -3.67 1.32 0.00 -1.21 -4.99 120.51 117.16 2kgt n ALA 38 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 2kgt n ALA 38 Cb 0.50 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.43 0.28 -0.27 0.00 1.81 -1.26 -5.06 118.95 112.01 2kgt s ARG 39 Ca -0.03 0.85 -0.08 0.00 -1.72 0.00 0.00 55.73 54.74 2kgt s ARG 39 Cb 0.04 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 2kgt s ARG 39 CO 0.34 -0.23 0.10 0.15 -0.68 0.00 0.00 175.30 174.98 2kgt s LYS 40 N 2.15 3.48 0.36 3.54 3.01 -1.26 -1.76 119.74 129.26 2kgt s LYS 40 Ca -0.03 -0.60 0.08 0.00 -1.01 0.00 0.00 55.97 54.40 2kgt s LYS 40 Cb -0.11 -3.40 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 2kgt s LYS 40 CO -0.11 -0.29 0.21 -2.00 0.51 0.00 0.00 175.35 173.66 2kgt s GLU 41 N 1.60 2.44 0.38 1.68 2.56 -1.19 -5.02 118.70 121.14 2kgt s GLU 41 Ca 0.05 -1.54 0.19 0.00 0.00 0.00 0.00 54.97 53.68 2kgt s GLU 41 Cb -0.16 -2.23 0.69 0.00 2.00 0.00 0.00 34.13 34.43 2kgt s GLU 41 CO 0.04 0.04 1.74 1.05 -0.56 0.00 0.00 175.26 177.57 2kgt h GLU 42 N 1.41 0.00 0.00 4.30 4.11 -2.04 -3.38 114.58 118.97 2kgt h GLU 42 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgt h GLU 42 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kgt h GLU 42 CO 0.62 0.35 0.00 1.04 0.07 0.00 0.00 179.01 181.10 2kgt n GLN 43 N -3.50 0.00 -4.37 1.06 6.02 -1.26 -5.05 117.38 110.28 2kgt n GLN 43 Ca -0.00 0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 2kgt n GLN 43 Cb 0.50 -0.46 -0.11 0.00 1.02 0.00 0.00 30.24 31.20 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 -0.57 1.94 -0.10 1.08 -2.14 -1.26 -4.77 118.94 113.13 2kgt s TRP 44 Ca 0.00 -0.45 -0.03 0.00 2.66 0.00 0.00 56.10 58.28 2kgt s TRP 44 Cb 0.00 -0.93 -0.03 0.00 -3.10 0.00 0.00 33.47 29.41 2kgt s TRP 44 CO 0.00 0.43 0.03 -1.58 -2.66 0.00 0.00 176.95 173.17 2kgt s TRP 45 N -2.29 3.24 -0.21 1.66 0.52 -0.79 -3.17 118.94 117.90 2kgt s TRP 45 Ca 0.20 0.23 -0.25 0.00 0.02 0.00 0.00 56.10 56.31 2kgt s TRP 45 Cb -0.05 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2kgt s TRP 45 CO 0.09 0.49 0.82 -1.58 0.02 0.00 0.00 176.95 176.79 2kgt s TRP 46 N -0.82 3.36 0.04 -1.98 0.52 -0.72 -1.40 118.94 117.94 2kgt s TRP 46 Ca 0.13 1.18 0.06 0.00 0.02 0.00 0.00 56.10 57.49 2kgt s TRP 46 Cb -0.12 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 2kgt s TRP 46 CO 0.02 -0.32 -0.14 0.00 0.02 0.00 0.00 176.95 176.53 2kgt s ALA 47 N 2.50 2.74 -0.03 0.98 0.00 -0.55 -3.30 121.76 124.10 2kgt s ALA 47 Ca 0.36 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2kgt s ALA 47 Cb -0.16 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2kgt s ALA 47 CO 0.10 0.59 -0.14 0.99 0.00 0.00 0.00 175.76 177.30 2kgt s THR 48 N -0.97 1.13 -0.35 0.00 2.01 -1.21 -2.13 115.64 114.12 2kgt s THR 48 Ca 0.16 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 2kgt s THR 48 Cb -0.11 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 2kgt s THR 48 CO 0.07 0.33 0.48 -0.22 -0.69 0.00 0.00 174.62 174.59 2kgt s LEU 49 N -0.04 4.37 0.20 4.42 2.96 -0.49 -3.50 118.68 126.62 2kgt s LEU 49 Ca -0.01 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2kgt s LEU 49 Cb -0.09 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2kgt s LEU 49 CO 0.01 -0.45 -0.00 -0.76 -1.32 0.00 0.00 176.35 173.82 2kgt s LEU 50 N 2.32 3.26 1.08 -0.68 1.43 -1.26 -0.07 118.68 124.75 2kgt s LEU 50 Ca 0.17 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 2kgt s LEU 50 Cb -0.16 -1.87 0.25 0.00 0.03 0.00 0.00 46.19 44.44 2kgt s LEU 50 CO 0.13 0.06 1.28 -0.62 0.23 0.00 0.00 176.35 177.43 2kgt s ASP 51 N -3.17 2.06 0.55 2.29 2.15 -0.36 -4.81 116.67 115.37 2kgt s ASP 51 Ca 0.28 0.27 0.23 0.00 0.43 0.00 0.00 52.55 53.76 2kgt s ASP 51 Cb -0.08 -0.27 1.49 0.00 -0.30 0.00 0.00 42.92 43.75 2kgt s ASP 51 CO 0.19 -3.39 2.15 1.05 -0.17 0.00 0.00 175.17 175.00 2kgt h GLU 52 N -2.09 0.00 0.00 4.34 4.11 -2.00 0.11 114.58 119.05 2kgt h GLU 52 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgt h GLU 52 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgt h GLU 52 CO 0.31 0.00 -0.06 0.00 0.07 0.00 0.00 179.01 179.33 2kgt h ALA 53 N 1.92 0.97 0.00 1.06 0.00 -2.04 -3.47 119.26 117.70 2kgt h ALA 53 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kgt h ALA 53 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 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 1.07 3.66 0.00 0.00 0.38 -5.06 105.19 106.41 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 -2.14 1.51 0.79 -0.02 0.00 -1.26 -4.52 107.32 101.68 2kgt s GLY 55 Ca 0.00 1.08 -0.15 0.00 0.00 0.00 0.00 44.72 45.65 2kgt s GLY 55 CO 0.00 3.17 0.51 0.00 0.00 0.00 0.00 173.10 176.78 2kgt n ALA 56 N 7.16 -1.78 0.01 3.20 0.00 -1.26 -1.23 120.51 126.61 2kgt n ALA 56 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kgt n ALA 56 Cb 0.42 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.74 0.00 -4.05 0.00 0.31 0.90 -4.76 118.33 107.99 2kgt n VAL 57 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 2kgt n VAL 57 Cb 0.51 -0.02 -0.04 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 -1.91 3.70 -0.01 3.52 0.00 -0.98 -4.97 121.76 121.11 2kgt s ALA 58 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.75 2kgt s ALA 58 Cb 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 2kgt s ALA 58 CO 0.00 0.41 -0.09 -0.65 0.00 0.00 0.00 175.76 175.43 2kgt s GLN 59 N -3.45 0.77 -0.28 0.00 1.11 -1.26 -1.39 119.66 115.16 2kgt s GLN 59 Ca 0.33 -0.30 -0.26 0.00 0.01 0.00 0.00 55.36 55.14 2kgt s GLN 59 Cb -0.09 -0.74 0.17 0.00 -1.01 0.00 0.00 33.01 31.33 2kgt s GLN 59 CO 0.26 0.16 1.28 0.20 0.01 0.00 0.00 175.29 177.20 2kgt s GLY 60 N -0.07 0.14 -0.09 3.09 0.00 -0.90 -4.82 107.32 104.67 2kgt s GLY 60 Ca 0.01 3.11 -0.04 0.00 0.00 0.00 0.00 44.72 47.80 2kgt s GLY 60 CO -0.00 1.76 0.09 -2.52 0.00 0.00 0.00 173.10 172.43 2kgt s TYR 61 N -0.10 3.42 0.07 1.90 -0.85 -1.25 -1.48 117.35 119.06 2kgt s TYR 61 Ca 0.06 0.38 -0.17 0.00 -0.52 0.00 0.00 57.07 56.82 2kgt s TYR 61 Cb -0.04 -1.86 0.03 0.00 0.38 0.00 0.00 41.96 40.47 2kgt s TYR 61 CO -0.11 0.63 0.39 0.14 -1.52 0.00 0.00 175.55 175.08 2kgt s VAL 62 N -1.01 0.07 0.59 -3.49 -7.23 -0.49 -4.19 120.40 104.64 2kgt s VAL 62 Ca 0.16 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.61 2kgt s VAL 62 Cb -0.12 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2kgt s VAL 62 CO 0.05 -0.30 1.12 -2.16 -0.31 0.00 0.00 175.10 173.50 2kgt s PRO 63 N -2.93 3.13 0.61 4.82 0.04 -1.26 -1.88 135.00 137.53 2kgt s PRO 63 Ca -0.02 1.52 0.31 0.00 0.04 0.00 0.00 61.00 62.84 2kgt s PRO 63 Cb 0.00 -1.98 1.77 0.00 0.04 0.00 0.00 34.50 34.33 2kgt s PRO 63 CO -0.06 -1.01 2.13 1.12 0.04 0.00 0.00 177.00 179.23 2kgt h HIS 64 N 0.72 0.00 0.00 0.56 2.07 -1.87 0.25 115.15 116.88 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 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 2kgt h HIS 64 CO 0.53 0.00 -0.01 -0.97 -3.07 0.00 0.00 177.93 174.41 2kgt h ASN 65 N 0.00 0.00 0.15 3.10 -0.73 -1.98 -3.31 115.58 112.81 2kgt h ASN 65 Ca 0.06 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 2kgt h ASN 65 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 2kgt h ASN 65 CO -0.00 0.01 -0.07 0.22 -0.37 0.00 0.00 177.43 177.21 2kgt h TYR 66 N 0.00 -0.18 -2.88 0.67 3.20 -0.85 -3.47 116.97 113.47 2kgt h TYR 66 Ca -0.00 -0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.39 2kgt h TYR 66 Cb 0.66 0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.01 2kgt h TYR 66 CO 0.00 -0.11 -0.13 -0.51 -1.64 0.00 0.00 178.16 175.77 2kgt s LEU 67 N -6.88 3.86 0.04 2.82 1.43 -1.22 -4.14 118.68 114.59 2kgt s LEU 67 Ca -0.03 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2kgt s LEU 67 Cb 0.00 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2kgt s LEU 67 CO 0.09 -0.45 -0.06 0.00 0.23 0.00 0.00 176.35 176.16 2kgt s ALA 68 N -2.44 3.06 0.26 4.21 0.00 -0.80 -4.80 121.76 121.26 2kgt s ALA 68 Ca 0.43 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2kgt s ALA 68 Cb -0.10 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.86 2kgt s ALA 68 CO 0.38 0.64 0.61 -1.83 0.00 0.00 0.00 175.76 175.56 2kgt s GLU 69 N -1.78 3.86 -0.38 0.00 1.03 -1.26 -1.10 118.70 119.06 2kgt s GLU 69 Ca 0.20 0.40 0.12 0.00 0.03 0.00 0.00 54.97 55.72 2kgt s GLU 69 Cb -0.11 -2.57 0.37 0.00 -0.80 0.00 0.00 34.13 31.02 2kgt s GLU 69 CO 0.11 0.26 0.80 0.54 -1.33 0.00 0.00 175.26 175.64 2kgt n ARG 70 N -0.24 1.30 -0.66 -4.83 5.12 -0.81 -4.84 116.66 111.70 2kgt n ARG 70 Ca 0.01 -3.54 -0.32 0.00 -1.93 0.00 0.00 57.85 52.07 2kgt n ARG 70 Cb 0.53 -1.69 0.18 0.00 -1.16 0.00 0.00 32.46 30.31 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 0.14 -1.64 0.00 5.56 1.02 -1.26 -3.72 120.64 120.75 2kgt n GLU 71 Ca 0.23 -0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2kgt n GLU 71 Cb 0.66 -1.72 0.40 0.00 -0.02 0.00 0.00 31.44 30.77 2kgt n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56