#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 2.93 -0.19 2.03 -7.23 -1.26 -5.05 120.40 111.63 2kgt s VAL 2 Ca 0.00 -1.35 0.12 0.00 -1.81 0.00 0.00 61.98 58.94 2kgt s VAL 2 Cb 0.00 -3.05 0.42 0.00 0.56 0.00 0.00 36.38 34.31 2kgt s VAL 2 CO 0.00 -0.05 1.22 -1.20 -0.31 0.00 0.00 175.10 174.75 2kgt n SER 3 N -1.50 1.67 -0.22 4.85 7.64 -1.26 -4.77 113.62 120.02 2kgt n SER 3 Ca 0.02 -3.77 -0.07 0.00 1.01 0.00 0.00 58.87 56.06 2kgt n SER 3 Cb 0.61 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 63.33 2kgt n SER 3 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kgt h ARG 4 N 0.99 0.87 -4.24 1.43 2.43 -1.96 -3.41 114.38 110.49 2kgt h ARG 4 Ca -0.02 -0.11 -0.50 0.00 -0.81 0.00 0.00 59.98 58.55 2kgt h ARG 4 Cb 1.06 -0.17 -0.36 0.00 -0.42 0.00 0.00 29.97 30.09 2kgt h ARG 4 CO 0.01 0.68 -0.80 0.34 -1.51 0.00 0.00 179.97 178.68 2kgt s ASP 5 N -5.96 1.81 0.32 -3.80 2.15 -1.26 -5.02 116.67 104.91 2kgt s ASP 5 Ca -0.13 -0.25 0.06 0.00 0.43 0.00 0.00 52.55 52.66 2kgt s ASP 5 Cb 0.13 -0.73 0.55 0.00 -0.30 0.00 0.00 42.92 42.57 2kgt s ASP 5 CO 0.78 -0.07 1.79 -0.61 -0.17 0.00 0.00 175.17 176.89 2kgt h GLN 6 N 7.68 0.34 -0.04 4.34 4.15 -1.96 -2.21 115.11 127.41 2kgt h GLN 6 Ca -0.30 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 58.93 2kgt h GLN 6 Cb 1.15 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2kgt h GLN 6 CO 0.42 0.57 -0.24 0.00 -1.93 0.00 0.00 178.83 177.65 2kgt h ALA 7 N 1.45 0.08 -0.76 3.38 0.00 -1.99 -3.26 119.26 118.15 2kgt h ALA 7 Ca 0.05 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 2kgt h ALA 7 Cb 0.59 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.16 2kgt h ALA 7 CO 0.04 0.09 0.68 0.72 0.00 0.00 0.00 179.25 180.77 2kgt n HIS 8 N -4.52 2.46 -0.22 0.00 8.25 -1.18 -4.62 115.22 115.39 2kgt n HIS 8 Ca -0.09 -2.52 0.15 0.00 -0.26 0.00 0.00 57.72 55.00 2kgt n HIS 8 Cb 0.46 -1.24 0.45 0.00 1.12 0.00 0.00 29.99 30.79 2kgt n HIS 8 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kgt h LEU 9 N 2.34 0.51 0.00 2.41 7.12 -1.45 -3.44 115.31 122.80 2kgt h LEU 9 Ca 0.47 0.03 -0.26 0.00 0.13 0.00 0.00 57.88 58.25 2kgt h LEU 9 Cb 0.82 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.85 2kgt h LEU 9 CO 1.22 0.25 -0.15 0.61 -0.13 0.00 0.00 178.44 180.24 2kgt n GLY 10 N -1.48 3.25 0.28 3.75 0.00 -1.26 -4.68 105.19 105.05 2kgt n GLY 10 Ca 0.17 -2.24 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.89 -1.19 -4.30 1.61 -0.04 -1.26 -5.08 135.00 123.85 2kgt n PRO 11 Ca -0.04 -0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 2kgt n PRO 11 Cb 0.27 -0.13 -0.08 0.00 -0.04 0.00 0.00 33.50 33.52 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 -3.20 2.12 -0.08 0.54 1.02 -1.26 -4.84 119.74 114.03 2kgt s LYS 12 Ca 0.06 -1.79 0.03 0.00 0.02 0.00 0.00 55.97 54.29 2kgt s LYS 12 Cb -0.01 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2kgt s LYS 12 CO 0.04 0.07 -0.16 0.71 -0.92 0.00 0.00 175.35 175.09 2kgt s TYR 13 N -2.54 2.69 -0.03 3.18 1.51 0.84 -0.61 117.35 122.39 2kgt s TYR 13 Ca 0.36 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2kgt s TYR 13 Cb 0.01 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2kgt s TYR 13 CO 0.20 -0.06 0.09 0.08 -1.11 0.00 0.00 175.55 174.74 2kgt s VAL 14 N -0.17 -0.00 0.00 0.71 1.01 0.38 -2.92 120.40 119.40 2kgt s VAL 14 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2kgt s VAL 14 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2kgt s VAL 14 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2kgt n GLY 15 N 3.06 -0.27 0.07 4.51 0.00 -1.26 -0.53 105.19 110.77 2kgt n GLY 15 Ca -0.13 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2kgt n GLY 15 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kgt n LEU 16 N 0.00 0.37 -1.75 0.99 -0.00 -1.26 -2.47 117.00 112.87 2kgt n LEU 16 Ca 0.00 0.15 -0.17 0.00 -0.00 0.00 0.00 56.01 56.00 2kgt n LEU 16 Cb 0.00 0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.52 2kgt n LEU 16 CO 0.00 0.12 -0.20 1.87 -0.00 0.00 0.00 177.39 179.18 2kgt n TRP 17 N -2.61 -0.58 -2.55 1.96 -0.00 -1.26 -4.08 117.44 108.32 2kgt n TRP 17 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.37 2kgt n TRP 17 Cb 0.77 -3.27 -0.02 0.00 -0.00 0.00 0.00 31.31 28.80 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 -1.08 -4.82 -3.73 5.87 -0.08 -1.26 -4.86 116.55 106.58 2kgt n ASP 18 Ca -0.19 1.26 -0.12 0.00 -1.51 0.00 0.00 54.79 54.23 2kgt n ASP 18 Cb 0.63 -4.87 -0.12 0.00 2.34 0.00 0.00 41.12 39.09 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 -1.14 -0.39 -0.07 -0.67 5.36 -1.23 -4.91 117.98 114.92 2kgt s PHE 19 Ca -0.10 0.90 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 2kgt s PHE 19 Cb 0.01 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.82 2kgt s PHE 19 CO 0.71 -0.24 -0.04 0.15 -1.46 0.00 0.00 175.22 174.33 2kgt s LYS 20 N 1.08 1.00 -0.01 10.12 3.01 -1.26 -3.70 119.74 129.98 2kgt s LYS 20 Ca -0.08 -0.10 0.09 0.00 -1.01 0.00 0.00 55.97 54.87 2kgt s LYS 20 Cb -0.08 -1.11 -0.13 0.00 -1.01 0.00 0.00 37.83 35.50 2kgt s LYS 20 CO -0.08 -0.19 0.19 0.45 0.51 0.00 0.00 175.35 176.24 2kgt n SER 21 N 4.59 2.94 -1.77 2.83 2.88 -1.26 -5.00 113.62 118.83 2kgt n SER 21 Ca -0.16 -0.03 -0.20 0.00 -1.33 0.00 0.00 58.87 57.15 2kgt n SER 21 Cb 0.50 1.37 -0.06 0.00 -0.75 0.00 0.00 64.21 65.28 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kgt n ARG 22 N -1.77 -1.45 -4.46 -1.46 5.12 -1.26 -4.97 116.66 106.41 2kgt n ARG 22 Ca -0.01 1.12 -0.23 0.00 -1.93 0.00 0.00 57.85 56.80 2kgt n ARG 22 Cb 0.22 -5.55 -0.10 0.00 -1.16 0.00 0.00 32.46 25.86 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2kgt s THR 23 N -2.82 2.31 0.01 0.55 -4.23 -1.26 -5.02 115.64 105.16 2kgt s THR 23 Ca 0.00 -2.34 0.32 0.00 -1.18 0.00 0.00 61.69 58.49 2kgt s THR 23 Cb 0.00 -2.31 0.38 0.00 1.34 0.00 0.00 72.50 71.90 2kgt s THR 23 CO 0.00 -0.40 1.93 0.44 -0.54 0.00 0.00 174.62 176.05 2kgt h ASP 24 N 2.28 0.00 -0.37 3.99 3.32 -1.93 -2.39 116.42 121.31 2kgt h ASP 24 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2kgt h ASP 24 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kgt h ASP 24 CO 0.62 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 176.30 2kgt n GLU 25 N -3.01 2.06 -3.66 3.56 0.28 -1.26 -3.91 120.64 114.70 2kgt n GLU 25 Ca 0.01 -1.43 -0.11 0.00 -0.16 0.00 0.00 57.16 55.47 2kgt n GLU 25 Cb 0.32 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.55 0.99 -0.19 3.44 2.02 -0.90 -4.31 118.70 118.19 2kgt s GLU 26 Ca 0.26 -0.56 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 2kgt s GLU 26 Cb 0.15 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.77 2kgt s GLU 26 CO 0.16 -0.36 0.47 -0.51 0.02 0.00 0.00 175.26 175.04 2kgt s LEU 27 N -2.44 4.17 -1.16 1.80 1.43 -1.26 -4.41 118.68 116.80 2kgt s LEU 27 Ca -0.01 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 2kgt s LEU 27 Cb 0.01 -2.63 0.22 0.00 0.03 0.00 0.00 46.19 43.81 2kgt s LEU 27 CO -0.08 -0.12 1.29 -0.94 0.23 0.00 0.00 176.35 176.74 2kgt s SER 28 N 1.04 7.18 0.20 2.29 1.04 -1.26 -4.31 113.70 119.88 2kgt s SER 28 Ca 0.22 -3.25 -0.22 0.00 0.48 0.00 0.00 55.95 53.18 2kgt s SER 28 Cb -0.15 -2.32 0.05 0.00 0.10 0.00 0.00 66.02 63.70 2kgt s SER 28 CO 0.09 -0.55 0.64 0.72 0.98 0.00 0.00 173.24 175.11 2kgt s PHE 29 N 0.36 -0.41 0.09 5.02 -0.71 -1.24 -5.03 117.98 116.06 2kgt s PHE 29 Ca 0.37 0.11 -0.00 0.00 -1.04 0.00 0.00 56.93 56.37 2kgt s PHE 29 Cb -0.06 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 2kgt s PHE 29 CO -0.03 -0.98 0.26 -0.98 -1.34 0.00 0.00 175.22 172.14 2kgt s ARG 30 N -3.81 3.47 0.87 1.99 1.70 -1.26 -3.56 118.95 118.35 2kgt s ARG 30 Ca 0.05 -0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 54.76 2kgt s ARG 30 Cb -0.03 -2.99 -0.01 0.00 -0.57 0.00 0.00 34.95 31.36 2kgt s ARG 30 CO -0.06 0.56 0.34 0.00 -1.08 0.00 0.00 175.30 175.06 2kgt n ALA 31 N 0.09 -2.48 0.00 7.88 0.00 -1.26 -3.52 120.51 121.22 2kgt n ALA 31 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2kgt n ALA 31 Cb 0.52 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.74 3.17 3.86 0.00 0.00 -1.26 -4.89 105.19 107.80 2kgt n GLY 32 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 6.60 -0.10 1.61 1.01 -1.23 -5.07 116.67 118.48 2kgt s ASP 33 Ca 0.00 1.38 -0.04 0.00 0.71 0.00 0.00 52.55 54.61 2kgt s ASP 33 Cb 0.00 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2kgt s ASP 33 CO 0.00 -0.49 0.04 0.68 0.21 0.00 0.00 175.17 175.61 2kgt s VAL 34 N -2.48 4.64 0.15 -1.27 -7.23 -1.26 -4.61 120.40 108.34 2kgt s VAL 34 Ca 0.56 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.53 2kgt s VAL 34 Cb -0.10 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 2kgt s VAL 34 CO 0.30 0.60 0.24 0.72 -0.31 0.00 0.00 175.10 176.65 2kgt s PHE 35 N -0.80 0.46 0.24 2.82 -0.71 -1.15 -4.03 117.98 114.81 2kgt s PHE 35 Ca 0.13 -0.83 0.08 0.00 -1.04 0.00 0.00 56.93 55.27 2kgt s PHE 35 Cb -0.12 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2kgt s PHE 35 CO 0.03 -0.68 -0.14 -1.58 -1.34 0.00 0.00 175.22 171.51 2kgt s HIS 36 N -3.98 1.87 -0.11 3.49 2.46 -1.06 -0.11 115.29 117.86 2kgt s HIS 36 Ca 0.18 -0.55 -0.19 0.00 0.47 0.00 0.00 55.06 54.97 2kgt s HIS 36 Cb 0.04 -0.90 -0.04 0.00 -0.13 0.00 0.00 32.58 31.55 2kgt s HIS 36 CO -0.00 0.41 0.50 0.14 -2.47 0.00 0.00 174.74 173.32 2kgt s VAL 37 N -2.89 5.17 -0.22 0.89 -7.23 -1.26 -1.45 120.40 113.41 2kgt s VAL 37 Ca 0.25 1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 61.23 2kgt s VAL 37 Cb -0.01 -3.84 -0.17 0.00 0.56 0.00 0.00 36.38 32.92 2kgt s VAL 37 CO 0.09 0.32 0.08 0.00 -0.31 0.00 0.00 175.10 175.28 2kgt n ALA 38 N 3.67 0.87 -2.81 1.32 0.00 -0.50 -4.96 120.51 118.10 2kgt n ALA 38 Ca -0.07 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 2kgt n ALA 38 Cb 0.52 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.39 1.25 -0.35 0.00 3.52 -1.23 -5.02 118.95 114.72 2kgt s ARG 39 Ca -0.31 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 54.76 2kgt s ARG 39 Cb 0.08 -1.15 0.05 0.00 -1.56 0.00 0.00 34.95 32.36 2kgt s ARG 39 CO 0.56 0.22 0.13 -1.59 -0.81 0.00 0.00 175.30 173.81 2kgt s LYS 40 N -0.06 2.58 0.28 5.12 -2.85 -1.26 -0.88 119.74 122.67 2kgt s LYS 40 Ca 0.00 -1.25 0.08 0.00 -1.00 0.00 0.00 55.97 53.81 2kgt s LYS 40 Cb -0.08 -3.50 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 2kgt s LYS 40 CO 0.01 -0.72 0.10 -2.00 0.10 0.00 0.00 175.35 172.83 2kgt s GLU 41 N 1.39 2.51 0.42 1.78 2.56 -1.15 -5.02 118.70 121.20 2kgt s GLU 41 Ca -0.01 -1.33 0.23 0.00 0.00 0.00 0.00 54.97 53.86 2kgt s GLU 41 Cb -0.20 -2.29 0.79 0.00 2.00 0.00 0.00 34.13 34.42 2kgt s GLU 41 CO 0.02 0.31 1.77 1.05 -0.56 0.00 0.00 175.26 177.85 2kgt h GLU 42 N 1.67 0.00 0.00 4.30 4.11 -2.04 -3.39 114.58 119.23 2kgt h GLU 42 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 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 0.61 0.24 0.00 1.04 0.07 0.00 0.00 179.01 180.97 2kgt n GLN 43 N -3.33 0.00 -4.16 1.06 1.13 -1.26 -5.04 117.38 105.78 2kgt n GLN 43 Ca 0.01 0.05 -0.24 0.00 -1.94 0.00 0.00 57.00 54.87 2kgt n GLN 43 Cb 0.47 -0.35 -0.06 0.00 0.11 0.00 0.00 30.24 30.41 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 -0.52 2.99 -0.16 1.08 0.52 -1.26 -4.98 118.94 116.62 2kgt s TRP 44 Ca 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 56.10 55.99 2kgt s TRP 44 Cb 0.00 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.91 2kgt s TRP 44 CO 0.00 0.54 -0.07 -1.58 0.02 0.00 0.00 176.95 175.85 2kgt s TRP 45 N -1.96 2.93 -0.18 -1.98 0.51 -1.19 -2.92 118.94 114.15 2kgt s TRP 45 Ca 0.31 -0.53 -0.28 0.00 -2.12 0.00 0.00 56.10 53.48 2kgt s TRP 45 Cb -0.09 -1.94 -0.00 0.00 -0.81 0.00 0.00 33.47 30.63 2kgt s TRP 45 CO 0.22 -0.18 0.96 -1.58 -0.51 0.00 0.00 176.95 175.86 2kgt s TRP 46 N 0.53 3.40 0.07 -1.98 0.52 -0.06 -0.08 118.94 121.34 2kgt s TRP 46 Ca -0.05 1.42 0.07 0.00 0.02 0.00 0.00 56.10 57.56 2kgt s TRP 46 Cb -0.15 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 2kgt s TRP 46 CO 0.03 -0.35 -0.19 0.00 0.02 0.00 0.00 176.95 176.47 2kgt s ALA 47 N 2.60 1.60 -0.06 0.98 0.00 -0.92 -1.41 121.76 124.55 2kgt s ALA 47 Ca 0.43 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2kgt s ALA 47 Cb -0.16 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2kgt s ALA 47 CO 0.11 0.32 -0.07 0.99 0.00 0.00 0.00 175.76 177.11 2kgt s THR 48 N -1.00 0.77 -0.30 0.00 2.01 -0.53 -2.88 115.64 113.72 2kgt s THR 48 Ca 0.05 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 2kgt s THR 48 Cb -0.09 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2kgt s THR 48 CO 0.03 0.29 0.41 -0.22 -0.69 0.00 0.00 174.62 174.44 2kgt s LEU 49 N 1.02 4.21 0.26 4.42 2.96 -1.10 -2.55 118.68 127.90 2kgt s LEU 49 Ca -0.09 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2kgt s LEU 49 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2kgt s LEU 49 CO -0.00 -0.30 0.07 -0.76 -1.32 0.00 0.00 176.35 174.03 2kgt s LEU 50 N 2.15 3.39 0.00 -0.68 1.43 -1.26 -1.77 118.68 121.95 2kgt s LEU 50 Ca 0.16 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 2kgt s LEU 50 Cb -0.16 -1.92 0.22 0.00 0.03 0.00 0.00 46.19 44.37 2kgt s LEU 50 CO 0.11 -0.02 1.33 -0.67 0.23 0.00 0.00 176.35 177.33 2kgt n ASP 51 N -1.00 0.20 0.24 2.29 2.03 -0.90 -4.79 116.55 114.62 2kgt n ASP 51 Ca -0.07 -1.54 0.17 0.00 0.52 0.00 0.00 54.79 53.87 2kgt n ASP 51 Cb 0.59 -1.01 0.86 0.00 -0.72 0.00 0.00 41.12 40.84 2kgt n ASP 51 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kgt h GLU 52 N 0.00 0.00 0.00 -0.67 4.11 -1.97 0.24 114.58 116.29 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 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 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 1.83 0.97 0.00 1.06 0.00 -2.04 -3.47 119.26 117.60 2kgt h ALA 53 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kgt h ALA 53 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 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 2.08 3.66 0.00 0.00 0.84 -5.05 105.19 107.89 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 -2.51 1.57 0.36 -0.02 0.00 -1.26 -4.56 107.32 100.90 2kgt s GLY 55 Ca 0.00 0.82 -0.27 0.00 0.00 0.00 0.00 44.72 45.26 2kgt s GLY 55 CO 0.00 2.88 1.26 0.00 0.00 0.00 0.00 173.10 177.25 2kgt n ALA 56 N 6.93 1.21 0.00 3.20 0.00 -1.26 -2.13 120.51 128.46 2kgt n ALA 56 Ca 0.16 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2kgt n ALA 56 Cb 0.43 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2kgt n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kgt n VAL 57 N 0.15 0.00 -4.33 0.00 0.24 -0.73 -4.89 118.33 108.77 2kgt n VAL 57 Ca 0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.16 2kgt n VAL 57 Cb 0.37 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.74 2kgt n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kgt s ALA 58 N -1.95 1.97 0.13 2.33 0.00 -1.15 -5.06 121.76 118.02 2kgt s ALA 58 Ca 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.41 2kgt s ALA 58 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2kgt s ALA 58 CO 0.00 0.11 -0.09 -0.65 0.00 0.00 0.00 175.76 175.13 2kgt s GLN 59 N -3.37 0.97 0.00 0.00 -0.21 -1.26 -2.71 119.66 113.09 2kgt s GLN 59 Ca 0.20 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2kgt s GLN 59 Cb -0.02 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.51 2kgt s GLN 59 CO 0.06 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 2kgt n GLY 60 N -0.10 3.75 3.88 3.09 0.00 -1.14 -4.68 105.19 110.00 2kgt n GLY 60 Ca -0.11 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.90 3.58 0.07 1.61 -0.85 -1.25 -2.17 117.35 116.43 2kgt s TYR 61 Ca 0.00 0.59 -0.16 0.00 -0.52 0.00 0.00 57.07 56.98 2kgt s TYR 61 Cb 0.00 -2.00 0.03 0.00 0.38 0.00 0.00 41.96 40.37 2kgt s TYR 61 CO 0.00 0.62 0.37 0.14 -1.52 0.00 0.00 175.55 175.15 2kgt s VAL 62 N -1.28 0.07 0.57 -3.49 -7.23 0.88 -4.12 120.40 105.80 2kgt s VAL 62 Ca 0.27 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 2kgt s VAL 62 Cb -0.13 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2kgt s VAL 62 CO 0.15 -0.33 1.12 -2.16 -0.31 0.00 0.00 175.10 173.58 2kgt s PRO 63 N -2.95 3.21 0.05 4.82 0.04 -1.26 -3.14 135.00 135.77 2kgt s PRO 63 Ca -0.02 1.55 0.26 0.00 0.04 0.00 0.00 61.00 62.82 2kgt s PRO 63 Cb 0.00 -1.99 0.62 0.00 0.04 0.00 0.00 34.50 33.17 2kgt s PRO 63 CO -0.06 -0.95 1.51 1.58 0.04 0.00 0.00 177.00 179.12 2kgt n HIS 64 N -1.59 0.25 1.55 0.56 -0.00 -1.26 -3.53 115.22 111.19 2kgt n HIS 64 Ca 0.11 0.07 0.14 0.00 0.46 0.00 0.00 57.72 58.51 2kgt n HIS 64 Cb 0.51 -0.48 0.78 0.00 -0.12 0.00 0.00 29.99 30.68 2kgt n HIS 64 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2kgt n ASN 65 N -1.75 0.00 -0.13 0.26 0.23 -1.26 -3.42 115.26 109.19 2kgt n ASN 65 Ca 0.05 -0.45 -0.18 0.00 -0.53 0.00 0.00 54.58 53.47 2kgt n ASN 65 Cb 0.38 -0.17 -0.12 0.00 -2.08 0.00 0.00 39.78 37.79 2kgt n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kgt n TYR 66 N -1.17 0.00 -4.29 -2.53 9.36 -1.23 -5.01 117.16 112.30 2kgt n TYR 66 Ca 0.17 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.16 2kgt n TYR 66 Cb 0.17 -0.98 -0.07 0.00 -0.63 0.00 0.00 39.34 37.83 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 -6.52 3.13 0.05 2.98 0.05 -1.03 -4.53 118.68 112.81 2kgt s LEU 67 Ca -0.34 -0.73 0.06 0.00 0.05 0.00 0.00 54.13 53.16 2kgt s LEU 67 Cb 0.09 -1.63 -0.02 0.00 -2.05 0.00 0.00 46.19 42.57 2kgt s LEU 67 CO 0.58 -0.06 -0.16 0.00 -0.55 0.00 0.00 176.35 176.17 2kgt s ALA 68 N -2.37 1.31 0.05 1.48 0.00 0.31 -4.80 121.76 117.74 2kgt s ALA 68 Ca 0.32 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2kgt s ALA 68 Cb -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2kgt s ALA 68 CO 0.20 0.25 1.39 -1.83 0.00 0.00 0.00 175.76 175.76 2kgt s GLU 69 N -1.32 4.31 -0.96 0.00 4.04 -1.26 -0.47 118.70 123.04 2kgt s GLU 69 Ca 0.02 2.00 -0.01 0.00 0.04 0.00 0.00 54.97 57.02 2kgt s GLU 69 Cb -0.09 -3.44 0.30 0.00 0.02 0.00 0.00 34.13 30.92 2kgt s GLU 69 CO 0.02 -0.50 1.34 0.54 -1.84 0.00 0.00 175.26 174.82 2kgt n ARG 70 N 4.75 4.13 -1.62 -4.83 1.74 0.22 -4.88 116.66 116.17 2kgt n ARG 70 Ca 0.12 -4.61 -0.46 0.00 -0.77 0.00 0.00 57.85 52.13 2kgt n ARG 70 Cb 0.43 -2.44 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 2kgt n ARG 70 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kgt n GLU 71 N 0.97 1.60 0.00 5.56 1.02 -1.26 -4.33 120.64 124.20 2kgt n GLU 71 Ca 0.30 0.57 0.16 0.00 -0.02 0.00 0.00 57.16 58.16 2kgt n GLU 71 Cb 0.34 -2.09 0.93 0.00 -0.02 0.00 0.00 31.44 30.60 2kgt n GLU 71 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94