#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 3.25 0.03 3.17 1.01 -1.26 -5.08 120.40 121.52 2kgt s VAL 2 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2kgt s VAL 2 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2kgt s VAL 2 CO 0.00 0.37 1.40 -0.55 0.00 0.00 0.00 175.10 176.32 2kgt s SER 3 N 1.44 6.85 -0.03 3.32 0.15 -1.26 -4.94 113.70 119.24 2kgt s SER 3 Ca 0.05 2.17 -0.22 0.00 0.70 0.00 0.00 55.95 58.64 2kgt s SER 3 Cb -0.15 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.44 2kgt s SER 3 CO -0.04 -0.70 0.99 0.03 1.20 0.00 0.00 173.24 174.73 2kgt h ARG 4 N 7.58 -0.30 -6.30 5.44 3.08 -2.09 -3.47 114.38 118.31 2kgt h ARG 4 Ca -0.39 0.02 -0.47 0.00 0.07 0.00 0.00 59.98 59.21 2kgt h ARG 4 Cb 1.19 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 2kgt h ARG 4 CO 0.89 0.07 -0.77 -0.25 -1.07 0.00 0.00 179.97 178.84 2kgt n ASP 5 N -5.02 -4.43 -4.08 7.04 8.00 -1.26 -4.97 116.55 111.83 2kgt n ASP 5 Ca -0.08 -0.79 -0.16 0.00 0.71 0.00 0.00 54.79 54.46 2kgt n ASP 5 Cb 0.26 -3.86 -0.13 0.00 -0.02 0.00 0.00 41.12 37.38 2kgt n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kgt s GLN 6 N -6.58 0.67 0.00 -1.24 -2.07 -1.26 -5.02 119.66 104.16 2kgt s GLN 6 Ca 0.61 -0.66 0.32 0.00 -1.82 0.00 0.00 55.36 53.80 2kgt s GLN 6 Cb -0.30 -0.59 1.83 0.00 -1.09 0.00 0.00 33.01 32.86 2kgt s GLN 6 CO 0.83 0.14 2.19 0.00 -1.32 0.00 0.00 175.29 177.13 2kgt n ALA 7 N 1.90 2.68 -2.40 2.60 0.00 -1.26 -4.95 120.51 119.07 2kgt n ALA 7 Ca -0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 2kgt n ALA 7 Cb 0.55 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.52 2kgt n ALA 7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kgt n HIS 8 N -0.91 -2.48 -0.09 0.00 -0.00 -1.26 -5.02 115.22 105.46 2kgt n HIS 8 Ca 0.23 1.02 -0.15 0.00 -0.00 0.00 0.00 57.72 58.83 2kgt n HIS 8 Cb 0.13 -3.27 -0.07 0.00 -0.00 0.00 0.00 29.99 26.79 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 -0.16 1.85 0.00 2.41 4.77 -1.26 -5.09 117.00 119.51 2kgt n LEU 9 Ca 0.06 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2kgt n LEU 9 Cb 0.24 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2kgt n LEU 9 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2kgt n GLY 10 N 1.50 -0.27 0.00 -0.72 0.00 -1.26 -4.86 105.19 99.58 2kgt n GLY 10 Ca -0.22 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.23 0.00 -3.75 1.61 -0.04 -1.26 -4.97 135.00 126.37 2kgt n PRO 11 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2kgt n PRO 11 Cb 0.00 -0.40 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.15 2.70 0.25 0.54 1.02 -1.26 -4.98 119.74 117.85 2kgt s LYS 12 Ca 0.00 -1.34 0.11 0.00 0.02 0.00 0.00 55.97 54.76 2kgt s LYS 12 Cb 0.00 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 2kgt s LYS 12 CO 0.00 0.03 -0.12 0.71 -0.92 0.00 0.00 175.35 175.05 2kgt s TYR 13 N -2.34 2.49 -0.01 3.18 1.51 0.06 -2.76 117.35 119.48 2kgt s TYR 13 Ca 0.43 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 2kgt s TYR 13 Cb -0.05 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 2kgt s TYR 13 CO 0.27 0.62 0.04 0.08 -1.11 0.00 0.00 175.55 175.45 2kgt s VAL 14 N -2.19 0.01 0.00 0.71 1.01 0.81 -0.79 120.40 119.95 2kgt s VAL 14 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2kgt s VAL 14 Cb -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2kgt s VAL 14 CO 0.16 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2kgt n GLY 15 N 2.96 1.40 3.24 4.51 0.00 -1.26 -0.59 105.19 115.46 2kgt n GLY 15 Ca -0.13 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.13 -4.57 0.99 7.99 -1.23 -3.91 117.00 111.14 2kgt n LEU 16 Ca 0.00 -0.04 -0.28 0.00 -0.01 0.00 0.00 56.01 55.68 2kgt n LEU 16 Cb 0.00 -2.57 -0.06 0.00 -0.11 0.00 0.00 43.42 40.69 2kgt n LEU 16 CO 0.00 -0.97 1.44 0.86 -1.51 0.00 0.00 177.39 177.21 2kgt s TRP 17 N -2.42 1.90 -1.13 -1.77 -0.11 -1.26 -0.78 118.94 113.37 2kgt s TRP 17 Ca 0.20 0.53 -0.19 0.00 1.22 0.00 0.00 56.10 57.86 2kgt s TRP 17 Cb -0.04 -4.02 -0.02 0.00 -1.50 0.00 0.00 33.47 27.90 2kgt s TRP 17 CO 0.82 -1.42 0.81 -3.47 -4.62 0.00 0.00 176.95 169.07 2kgt n ASP 18 N 14.21 -5.45 -3.73 5.86 2.03 -1.26 -4.89 116.55 123.31 2kgt n ASP 18 Ca 0.43 -0.97 -0.22 0.00 0.52 0.00 0.00 54.79 54.55 2kgt n ASP 18 Cb 0.47 -3.65 -0.18 0.00 -0.72 0.00 0.00 41.12 37.04 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kgt s PHE 19 N -3.46 0.46 -0.02 -0.67 2.19 -1.25 -4.98 117.98 110.25 2kgt s PHE 19 Ca 0.47 -0.05 0.03 0.00 0.33 0.00 0.00 56.93 57.71 2kgt s PHE 19 Cb -0.15 -0.70 -0.00 0.00 -1.31 0.00 0.00 43.02 40.86 2kgt s PHE 19 CO 0.84 -0.30 -0.11 -1.59 1.83 0.00 0.00 175.22 175.89 2kgt s LYS 20 N 2.04 1.06 0.25 10.12 0.00 -1.26 -3.89 119.74 128.07 2kgt s LYS 20 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 55.97 55.62 2kgt s LYS 20 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 37.83 36.71 2kgt s LYS 20 CO -0.05 0.20 0.03 0.45 0.00 0.00 0.00 175.35 175.98 2kgt n SER 21 N 3.02 2.57 -0.51 0.03 2.88 -1.26 -4.94 113.62 115.41 2kgt n SER 21 Ca -0.16 -2.06 0.07 0.00 -1.33 0.00 0.00 58.87 55.39 2kgt n SER 21 Cb 0.55 0.15 0.14 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.68 1.11 -3.88 -1.46 1.85 -1.26 -4.44 116.66 107.90 2kgt n ARG 22 Ca -0.09 -2.63 -0.10 0.00 -1.00 0.00 0.00 57.85 54.03 2kgt n ARG 22 Cb 0.31 -1.25 -0.09 0.00 -1.05 0.00 0.00 32.46 30.38 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 -2.35 0.12 0.63 8.89 -4.23 -1.26 -5.02 115.64 112.41 2kgt s THR 23 Ca 0.31 -1.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.17 2kgt s THR 23 Cb 0.30 -0.93 0.38 0.00 1.34 0.00 0.00 72.50 73.59 2kgt s THR 23 CO -0.04 -0.55 2.19 0.44 -0.54 0.00 0.00 174.62 176.12 2kgt h ASP 24 N 3.50 0.00 -0.16 3.99 3.32 -1.97 -0.87 116.42 124.23 2kgt h ASP 24 Ca -0.32 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.77 2kgt h ASP 24 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2kgt h ASP 24 CO 0.50 0.00 0.23 1.05 -1.72 0.00 0.00 179.24 179.29 2kgt h GLU 25 N 0.00 0.00 -4.05 3.56 4.11 -1.89 -3.32 114.58 112.99 2kgt h GLU 25 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.34 2kgt h GLU 25 Cb 0.28 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.36 2kgt h GLU 25 CO -0.00 0.00 -0.61 -1.21 0.07 0.00 0.00 179.01 177.26 2kgt s GLU 26 N -4.52 0.59 -0.18 1.06 2.02 -0.33 -3.62 118.70 113.73 2kgt s GLU 26 Ca -0.04 -0.99 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 2kgt s GLU 26 Cb 0.14 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.56 2kgt s GLU 26 CO 0.50 -0.13 0.55 -0.51 0.02 0.00 0.00 175.26 175.69 2kgt s LEU 27 N -2.52 4.18 -1.17 1.80 2.01 -1.26 -4.52 118.68 117.20 2kgt s LEU 27 Ca 0.01 0.77 -0.16 0.00 0.01 0.00 0.00 54.13 54.75 2kgt s LEU 27 Cb 0.03 -2.77 0.14 0.00 0.01 0.00 0.00 46.19 43.59 2kgt s LEU 27 CO -0.08 -0.17 1.45 -0.94 1.01 0.00 0.00 176.35 177.63 2kgt s SER 28 N 1.05 6.91 0.21 2.29 1.04 -1.26 -3.99 113.70 119.94 2kgt s SER 28 Ca 0.26 -2.63 -0.22 0.00 0.48 0.00 0.00 55.95 53.85 2kgt s SER 28 Cb -0.16 -2.45 0.05 0.00 0.10 0.00 0.00 66.02 63.56 2kgt s SER 28 CO 0.10 -0.94 0.64 -0.36 0.98 0.00 0.00 173.24 173.67 2kgt s PHE 29 N 2.53 -0.39 0.38 5.02 0.40 -1.25 -4.90 117.98 119.77 2kgt s PHE 29 Ca 0.44 0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2kgt s PHE 29 Cb -0.02 0.61 -0.03 0.00 0.51 0.00 0.00 43.02 44.09 2kgt s PHE 29 CO -0.00 -1.00 0.59 -0.98 0.70 0.00 0.00 175.22 174.53 2kgt s ARG 30 N -3.82 3.43 1.13 0.44 1.70 -1.26 -3.90 118.95 116.67 2kgt s ARG 30 Ca 0.05 -0.30 -0.14 0.00 -0.47 0.00 0.00 55.73 54.87 2kgt s ARG 30 Cb -0.03 -2.62 0.22 0.00 -0.57 0.00 0.00 34.95 31.95 2kgt s ARG 30 CO -0.05 0.05 0.74 0.00 -1.08 0.00 0.00 175.30 174.96 2kgt n ALA 31 N -1.88 -3.04 0.00 7.88 0.00 0.04 -3.53 120.51 119.98 2kgt n ALA 31 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2kgt n ALA 31 Cb 0.56 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2kgt n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgt n GLY 32 N 1.23 2.04 3.86 0.00 0.00 -1.25 -4.93 105.19 106.13 2kgt n GLY 32 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.87 6.59 -0.03 1.61 1.11 -1.23 -5.01 116.67 116.85 2kgt s ASP 33 Ca 0.00 1.36 -0.14 0.00 0.18 0.00 0.00 52.55 53.96 2kgt s ASP 33 Cb 0.00 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.52 2kgt s ASP 33 CO 0.00 -0.48 0.36 0.68 1.18 0.00 0.00 175.17 176.91 2kgt s VAL 34 N -2.47 5.12 0.03 -1.27 -7.23 -1.26 -4.25 120.40 109.08 2kgt s VAL 34 Ca 0.55 0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2kgt s VAL 34 Cb -0.10 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2kgt s VAL 34 CO 0.30 0.57 -0.03 -0.36 -0.31 0.00 0.00 175.10 175.27 2kgt s PHE 35 N -0.96 0.34 -0.07 2.82 0.08 0.03 -4.21 117.98 116.01 2kgt s PHE 35 Ca 0.22 -0.68 0.05 0.00 0.12 0.00 0.00 56.93 56.64 2kgt s PHE 35 Cb -0.16 -0.25 -0.00 0.00 -0.57 0.00 0.00 43.02 42.04 2kgt s PHE 35 CO 0.11 -0.24 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.19 2kgt s HIS 36 N -2.13 2.35 -0.22 0.36 2.46 0.26 -0.76 115.29 117.61 2kgt s HIS 36 Ca -0.10 -0.83 -0.19 0.00 0.47 0.00 0.00 55.06 54.42 2kgt s HIS 36 Cb -0.05 -1.57 -0.03 0.00 -0.13 0.00 0.00 32.58 30.81 2kgt s HIS 36 CO -0.03 -0.30 0.55 0.54 -2.47 0.00 0.00 174.74 173.02 2kgt s VAL 37 N 0.13 5.07 -0.27 0.89 0.11 -1.26 -0.14 120.40 124.93 2kgt s VAL 37 Ca -0.11 1.00 0.22 0.00 -2.93 0.00 0.00 61.98 60.16 2kgt s VAL 37 Cb -0.15 -3.87 -0.20 0.00 -1.53 0.00 0.00 36.38 30.63 2kgt s VAL 37 CO 0.06 0.12 0.76 0.00 -3.33 0.00 0.00 175.10 172.71 2kgt n ALA 38 N 5.14 2.99 -3.28 1.54 0.00 -0.76 -4.95 120.51 121.19 2kgt n ALA 38 Ca -0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2kgt n ALA 38 Cb 0.50 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 2kgt n ALA 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kgt s ARG 39 N -3.38 0.53 -0.21 0.00 6.06 -1.22 -5.03 118.95 115.70 2kgt s ARG 39 Ca -0.03 0.33 -0.01 0.00 -2.50 0.00 0.00 55.73 53.53 2kgt s ARG 39 Cb 0.13 0.25 0.06 0.00 0.06 0.00 0.00 34.95 35.45 2kgt s ARG 39 CO 0.85 -0.10 -0.01 -1.59 -2.50 0.00 0.00 175.30 171.95 2kgt s LYS 40 N -0.25 1.17 0.36 5.12 -2.85 -1.26 -1.03 119.74 120.99 2kgt s LYS 40 Ca -0.04 -0.72 0.07 0.00 -1.00 0.00 0.00 55.97 54.28 2kgt s LYS 40 Cb -0.03 -2.36 -0.02 0.00 -2.06 0.00 0.00 37.83 33.35 2kgt s LYS 40 CO 0.02 -0.62 0.34 -2.00 0.10 0.00 0.00 175.35 173.20 2kgt s GLU 41 N 1.61 2.74 0.39 1.78 2.12 -1.08 -5.02 118.70 121.24 2kgt s GLU 41 Ca -0.04 -1.31 0.18 0.00 0.36 0.00 0.00 54.97 54.17 2kgt s GLU 41 Cb -0.18 -2.51 0.79 0.00 0.26 0.00 0.00 34.13 32.49 2kgt s GLU 41 CO -0.07 0.02 1.81 1.05 -0.54 0.00 0.00 175.26 177.52 2kgt h GLU 42 N 1.13 0.00 0.00 4.30 4.11 -2.04 -3.37 114.58 118.72 2kgt h GLU 42 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 0.57 0.35 0.00 1.04 0.07 0.00 0.00 179.01 181.04 2kgt n GLN 43 N -3.73 0.00 -4.34 1.06 6.02 -1.26 -5.03 117.38 110.10 2kgt n GLN 43 Ca -0.01 0.20 -0.21 0.00 -0.01 0.00 0.00 57.00 56.97 2kgt n GLN 43 Cb 0.44 -0.68 -0.11 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.91 1.80 0.10 1.08 0.51 -1.26 -4.83 118.94 115.43 2kgt s TRP 44 Ca 0.00 -0.49 0.05 0.00 -2.12 0.00 0.00 56.10 53.54 2kgt s TRP 44 Cb 0.00 -0.88 -0.04 0.00 -0.81 0.00 0.00 33.47 31.74 2kgt s TRP 44 CO 0.00 0.34 0.01 -1.58 -0.51 0.00 0.00 176.95 175.21 2kgt s TRP 45 N -2.23 2.98 -0.43 -1.98 0.52 -1.03 -2.64 118.94 114.13 2kgt s TRP 45 Ca 0.17 -0.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.11 2kgt s TRP 45 Cb -0.05 -1.52 0.04 0.00 -1.15 0.00 0.00 33.47 30.79 2kgt s TRP 45 CO 0.07 0.49 0.32 -1.58 0.02 0.00 0.00 176.95 176.27 2kgt s TRP 46 N -1.38 3.25 0.07 -1.98 0.52 -0.19 -0.37 118.94 118.86 2kgt s TRP 46 Ca 0.26 -0.77 0.04 0.00 0.02 0.00 0.00 56.10 55.65 2kgt s TRP 46 Cb -0.11 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.38 2kgt s TRP 46 CO 0.19 -0.67 0.02 0.00 0.02 0.00 0.00 176.95 176.50 2kgt s ALA 47 N 1.65 3.36 -0.03 0.98 0.00 -0.58 -1.83 121.76 125.31 2kgt s ALA 47 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2kgt s ALA 47 Cb -0.21 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2kgt s ALA 47 CO 0.08 0.70 -0.09 0.99 0.00 0.00 0.00 175.76 177.45 2kgt s THR 48 N -1.29 0.79 -0.20 0.00 2.01 0.80 -0.69 115.64 117.07 2kgt s THR 48 Ca 0.26 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 2kgt s THR 48 Cb -0.12 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2kgt s THR 48 CO 0.18 0.25 0.31 -0.22 -0.69 0.00 0.00 174.62 174.45 2kgt s LEU 49 N 0.17 4.16 0.30 4.42 2.96 0.82 -0.58 118.68 130.94 2kgt s LEU 49 Ca -0.03 0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.38 2kgt s LEU 49 Cb -0.08 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2kgt s LEU 49 CO 0.00 -0.00 0.05 -0.76 -1.32 0.00 0.00 176.35 174.33 2kgt s LEU 50 N 1.06 3.21 1.09 -0.68 1.43 -1.26 -0.11 118.68 123.41 2kgt s LEU 50 Ca 0.15 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 2kgt s LEU 50 Cb -0.14 -1.70 0.26 0.00 0.03 0.00 0.00 46.19 44.64 2kgt s LEU 50 CO 0.06 -0.13 1.27 -0.62 0.23 0.00 0.00 176.35 177.16 2kgt s ASP 51 N -3.74 2.00 0.60 2.29 2.15 -1.26 -4.81 116.67 113.90 2kgt s ASP 51 Ca 0.34 0.27 0.30 0.00 0.43 0.00 0.00 52.55 53.89 2kgt s ASP 51 Cb -0.04 -0.28 1.80 0.00 -0.30 0.00 0.00 42.92 44.09 2kgt s ASP 51 CO 0.21 -3.42 2.20 1.05 -0.17 0.00 0.00 175.17 175.03 2kgt h GLU 52 N -2.11 0.00 0.00 4.34 4.11 -2.00 0.17 114.58 119.09 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 0.30 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.38 2kgt h ALA 53 N 1.89 1.00 0.00 1.06 0.00 -2.01 -3.47 119.26 117.73 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 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 0.85 0.68 0.00 0.00 0.00 0.61 -5.04 105.19 102.29 2kgt n GLY 54 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2kgt n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgt n GLY 55 N -2.52 1.72 3.63 -0.02 0.00 -1.26 -4.84 105.19 101.90 2kgt n GLY 55 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kgt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgt s ALA 56 N -4.00 -2.12 0.03 4.61 0.00 -1.26 -4.73 121.76 114.29 2kgt s ALA 56 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2kgt s ALA 56 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2kgt s ALA 56 CO 0.00 -0.42 0.00 0.28 0.00 0.00 0.00 175.76 175.62 2kgt n VAL 57 N 0.22 0.00 -4.28 0.00 0.31 0.85 -4.39 118.33 111.05 2kgt n VAL 57 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 2kgt n VAL 57 Cb 0.58 -0.04 -0.11 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.81 1.68 -0.04 3.52 0.00 -1.00 -5.00 121.76 119.12 2kgt s ALA 58 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2kgt s ALA 58 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2kgt s ALA 58 CO 0.00 0.14 -0.13 -0.65 0.00 0.00 0.00 175.76 175.12 2kgt s GLN 59 N -2.76 1.47 -0.22 0.00 -0.21 -1.26 -0.12 119.66 116.55 2kgt s GLN 59 Ca 0.12 -0.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.77 2kgt s GLN 59 Cb -0.05 -1.29 0.09 0.00 1.00 0.00 0.00 33.01 32.76 2kgt s GLN 59 CO 0.04 0.16 0.82 0.20 -2.12 0.00 0.00 175.29 174.39 2kgt s GLY 60 N 0.20 -0.42 0.12 3.09 0.00 0.14 -4.75 107.32 105.69 2kgt s GLY 60 Ca -0.05 2.08 -0.19 0.00 0.00 0.00 0.00 44.72 46.55 2kgt s GLY 60 CO 0.02 1.57 0.61 -2.52 0.00 0.00 0.00 173.10 172.78 2kgt s TYR 61 N -0.08 3.77 0.05 1.90 -0.85 -1.24 -1.53 117.35 119.37 2kgt s TYR 61 Ca -0.01 1.30 -0.10 0.00 -0.52 0.00 0.00 57.07 57.74 2kgt s TYR 61 Cb -0.04 -2.53 0.01 0.00 0.38 0.00 0.00 41.96 39.78 2kgt s TYR 61 CO 0.01 0.52 0.22 0.14 -1.52 0.00 0.00 175.55 174.91 2kgt s VAL 62 N -1.23 0.11 0.31 -3.49 -7.23 0.50 -4.34 120.40 105.04 2kgt s VAL 62 Ca 0.33 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 2kgt s VAL 62 Cb -0.19 -1.01 -0.10 0.00 0.56 0.00 0.00 36.38 35.64 2kgt s VAL 62 CO 0.20 -0.50 1.22 -2.16 -0.31 0.00 0.00 175.10 173.55 2kgt s PRO 63 N -2.87 4.46 0.56 4.82 0.04 -1.26 -2.46 135.00 138.29 2kgt s PRO 63 Ca -0.03 2.05 0.38 0.00 0.04 0.00 0.00 61.00 63.44 2kgt s PRO 63 Cb 0.00 -3.11 1.99 0.00 0.04 0.00 0.00 34.50 33.42 2kgt s PRO 63 CO -0.05 -0.04 2.15 1.25 0.04 0.00 0.00 177.00 180.35 2kgt h HIS 64 N 3.53 0.00 0.00 0.56 2.76 -1.88 -0.41 115.15 119.70 2kgt h HIS 64 Ca -0.48 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2kgt h HIS 64 Cb 1.22 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.18 2kgt h HIS 64 CO 0.57 0.00 -0.00 -0.97 -1.30 0.00 0.00 177.93 176.23 2kgt h ASN 65 N 0.00 0.00 0.00 3.26 -0.73 -1.98 -3.24 115.58 112.89 2kgt h ASN 65 Ca 0.00 0.00 -0.40 0.00 1.87 0.00 0.00 56.30 57.77 2kgt h ASN 65 Cb 0.07 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.59 2kgt h ASN 65 CO 0.00 0.00 -2.47 0.00 -0.37 0.00 0.00 177.43 174.59 2kgt n TYR 66 N -3.10 0.00 -3.50 0.67 9.36 -0.20 -4.96 117.16 115.43 2kgt n TYR 66 Ca 0.01 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.85 2kgt n TYR 66 Cb 0.32 -0.98 -0.06 0.00 -0.63 0.00 0.00 39.34 37.99 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 -6.67 4.47 0.04 2.98 1.98 -0.97 -3.54 118.68 116.97 2kgt s LEU 67 Ca -0.35 0.95 0.04 0.00 -2.89 0.00 0.00 54.13 51.89 2kgt s LEU 67 Cb 0.10 -2.62 -0.02 0.00 0.66 0.00 0.00 46.19 44.30 2kgt s LEU 67 CO 0.57 0.31 -0.13 0.00 -1.89 0.00 0.00 176.35 175.22 2kgt s ALA 68 N -1.11 1.03 -0.22 5.97 0.00 0.24 -4.66 121.76 123.02 2kgt s ALA 68 Ca 0.25 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 2kgt s ALA 68 Cb -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kgt s ALA 68 CO 0.14 0.17 0.95 -1.83 0.00 0.00 0.00 175.76 175.18 2kgt s GLU 69 N -1.27 4.24 -0.23 0.00 -1.05 -1.26 -0.13 118.70 119.00 2kgt s GLU 69 Ca -0.01 1.19 -0.04 0.00 -0.15 0.00 0.00 54.97 55.96 2kgt s GLU 69 Cb -0.08 -3.63 -0.01 0.00 -0.44 0.00 0.00 34.13 29.97 2kgt s GLU 69 CO 0.01 -0.55 -0.02 1.03 0.95 0.00 0.00 175.26 176.68 2kgt s ARG 70 N 2.94 3.35 0.48 -4.83 0.52 -1.11 -4.88 118.95 115.41 2kgt s ARG 70 Ca 0.41 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 55.04 2kgt s ARG 70 Cb -0.15 -3.09 0.04 0.00 0.52 0.00 0.00 34.95 32.26 2kgt s ARG 70 CO 0.07 -0.24 0.65 -1.21 0.02 0.00 0.00 175.30 174.60 2kgt s GLU 71 N 1.49 2.64 0.00 3.54 2.02 -1.26 -3.98 118.70 123.15 2kgt s GLU 71 Ca 0.05 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.72 2kgt s GLU 71 Cb -0.15 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2kgt s GLU 71 CO -0.02 -0.48 0.00 0.25 0.02 0.00 0.00 175.26 175.03