#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 0.00 -0.01 2.03 0.11 -1.26 -5.17 120.40 116.10 2kgt s VAL 2 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2kgt s VAL 2 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2kgt s VAL 2 CO 0.00 0.00 0.01 -0.55 -3.33 0.00 0.00 175.10 171.23 2kgt s SER 3 N -0.57 0.01 0.41 3.54 0.15 -1.26 -5.03 113.70 110.96 2kgt s SER 3 Ca 0.02 0.01 0.18 0.00 0.70 0.00 0.00 55.95 56.87 2kgt s SER 3 Cb -0.02 -0.01 0.91 0.00 -1.71 0.00 0.00 66.02 65.18 2kgt s SER 3 CO -0.04 -0.03 1.87 0.03 1.20 0.00 0.00 173.24 176.27 2kgt h ARG 4 N 6.37 0.00 0.00 5.44 2.47 -2.01 -2.57 114.38 124.08 2kgt h ARG 4 Ca -0.28 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.29 2kgt h ARG 4 Cb 1.19 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 2kgt h ARG 4 CO 0.50 0.30 -0.68 0.22 0.56 0.00 0.00 179.97 180.87 2kgt h ASP 5 N 0.00 0.00 -0.30 7.04 3.58 -1.96 -3.22 116.42 121.57 2kgt h ASP 5 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2kgt h ASP 5 Cb 0.63 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2kgt h ASP 5 CO 0.04 0.68 -0.15 -0.61 -2.88 0.00 0.00 179.24 176.33 2kgt h GLN 6 N 0.00 0.74 -0.35 0.28 4.15 -1.88 -2.80 115.11 115.25 2kgt h GLN 6 Ca -0.01 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.11 2kgt h GLN 6 Cb 1.37 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 2kgt h GLN 6 CO 0.09 0.85 0.02 0.00 -1.93 0.00 0.00 178.83 177.85 2kgt h ALA 7 N 1.18 1.37 -3.32 3.38 0.00 -1.55 -3.35 119.26 116.96 2kgt h ALA 7 Ca 0.11 -0.20 -0.63 0.00 0.00 0.00 0.00 54.91 54.19 2kgt h ALA 7 Cb 0.62 -0.15 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 2kgt h ALA 7 CO 0.04 0.44 -0.67 -1.01 0.00 0.00 0.00 179.25 178.06 2kgt s HIS 8 N -5.00 2.94 -0.17 0.00 3.76 -1.06 -4.78 115.29 110.99 2kgt s HIS 8 Ca -0.08 -2.96 0.15 0.00 -0.15 0.00 0.00 55.06 52.03 2kgt s HIS 8 Cb 0.16 -2.60 0.36 0.00 1.11 0.00 0.00 32.58 31.61 2kgt s HIS 8 CO 0.77 -0.78 1.20 1.47 -0.85 0.00 0.00 174.74 176.55 2kgt n LEU 9 N 3.37 2.63 -0.38 0.89 -0.00 -1.23 -4.81 117.00 117.47 2kgt n LEU 9 Ca 0.05 -3.46 0.00 0.00 -0.00 0.00 0.00 56.01 52.61 2kgt n LEU 9 Cb 0.34 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2kgt n LEU 9 CO 0.30 1.02 0.00 0.61 -0.00 0.00 0.00 177.39 179.32 2kgt n GLY 10 N -1.26 0.43 3.68 1.47 0.00 -1.26 -5.10 105.19 103.15 2kgt n GLY 10 Ca 0.18 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.55 0.45 0.83 1.61 0.04 -1.26 -5.04 135.00 130.07 2kgt s PRO 11 Ca 0.00 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.45 2kgt s PRO 11 Cb 0.00 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.89 2kgt s PRO 11 CO 0.00 -2.72 1.15 -1.59 0.04 0.00 0.00 177.00 173.88 2kgt s LYS 12 N -4.96 1.85 -0.02 4.56 0.00 -1.26 -4.87 119.74 115.04 2kgt s LYS 12 Ca 0.65 0.25 0.04 0.00 0.00 0.00 0.00 55.97 56.92 2kgt s LYS 12 Cb -0.19 -1.92 -0.03 0.00 0.00 0.00 0.00 37.83 35.69 2kgt s LYS 12 CO 0.58 -1.70 -0.14 0.71 0.00 0.00 0.00 175.35 174.79 2kgt s TYR 13 N -3.43 2.70 0.01 1.78 1.51 0.88 -3.11 117.35 117.69 2kgt s TYR 13 Ca 0.62 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 56.48 2kgt s TYR 13 Cb -0.12 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2kgt s TYR 13 CO 0.51 0.24 0.06 0.54 -1.11 0.00 0.00 175.55 175.79 2kgt s VAL 14 N -0.83 0.09 0.00 0.71 0.11 -0.99 -2.74 120.40 116.75 2kgt s VAL 14 Ca 0.13 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2kgt s VAL 14 Cb -0.11 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2kgt s VAL 14 CO 0.03 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 2kgt n GLY 15 N 1.67 -0.46 2.51 6.54 0.00 -1.26 -1.92 105.19 112.27 2kgt n GLY 15 Ca -0.22 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 0.95 -4.18 0.99 7.99 -1.26 -2.74 117.00 118.74 2kgt n LEU 16 Ca 0.00 -4.74 -0.35 0.00 -0.01 0.00 0.00 56.01 50.91 2kgt n LEU 16 Cb 0.00 0.09 0.08 0.00 -0.11 0.00 0.00 43.42 43.48 2kgt n LEU 16 CO 0.00 1.87 -0.85 1.87 -1.51 0.00 0.00 177.39 178.78 2kgt n TRP 17 N 2.24 -3.28 -1.46 -1.77 -0.00 -1.26 -0.10 117.44 111.81 2kgt n TRP 17 Ca 0.26 0.12 -0.45 0.00 -0.00 0.00 0.00 57.50 57.43 2kgt n TRP 17 Cb 0.44 -1.58 -0.11 0.00 -0.00 0.00 0.00 31.31 30.07 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 1.29 1.07 -3.66 5.87 2.03 -1.26 -4.17 116.55 117.72 2kgt n ASP 18 Ca 0.02 0.18 -0.12 0.00 0.52 0.00 0.00 54.79 55.39 2kgt n ASP 18 Cb 0.57 -1.10 -0.12 0.00 -0.72 0.00 0.00 41.12 39.75 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 8.78 -0.57 -0.23 -0.67 2.19 -1.21 -4.99 117.98 121.29 2kgt s PHE 19 Ca 1.22 1.18 0.00 0.00 0.33 0.00 0.00 56.93 59.66 2kgt s PHE 19 Cb -1.03 0.09 0.03 0.00 -1.31 0.00 0.00 43.02 40.80 2kgt s PHE 19 CO 0.48 -0.41 -0.12 0.15 1.83 0.00 0.00 175.22 177.15 2kgt s LYS 20 N 2.50 2.74 0.30 10.12 3.01 -1.26 -3.13 119.74 134.01 2kgt s LYS 20 Ca 0.00 -1.02 0.03 0.00 -1.01 0.00 0.00 55.97 53.97 2kgt s LYS 20 Cb -0.12 -2.82 0.03 0.00 -1.01 0.00 0.00 37.83 33.92 2kgt s LYS 20 CO -0.10 -0.38 0.27 0.43 0.51 0.00 0.00 175.35 176.09 2kgt n SER 21 N 4.59 1.75 -0.70 2.83 7.64 -1.23 -5.01 113.62 123.49 2kgt n SER 21 Ca -0.17 -1.98 0.05 0.00 1.01 0.00 0.00 58.87 57.78 2kgt n SER 21 Cb 0.47 -0.07 0.09 0.00 -1.01 0.00 0.00 64.21 63.69 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kgt n ARG 22 N -1.32 0.72 -3.83 1.43 1.74 -1.26 -4.78 116.66 109.35 2kgt n ARG 22 Ca 0.01 -2.25 -0.11 0.00 -0.77 0.00 0.00 57.85 54.73 2kgt n ARG 22 Cb 0.34 -0.89 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.52 0.10 0.62 0.55 -4.23 -1.26 -5.02 115.64 104.87 2kgt s THR 23 Ca 0.27 -0.79 0.34 0.00 -1.18 0.00 0.00 61.69 60.32 2kgt s THR 23 Cb 0.27 -0.79 0.38 0.00 1.34 0.00 0.00 72.50 73.70 2kgt s THR 23 CO -0.06 -0.43 2.19 0.44 -0.54 0.00 0.00 174.62 176.21 2kgt h ASP 24 N 3.64 0.00 -0.00 3.99 3.32 -1.97 -0.23 116.42 125.17 2kgt h ASP 24 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2kgt h ASP 24 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2kgt h ASP 24 CO 0.46 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.65 2kgt h GLU 25 N 0.00 0.00 -4.28 3.56 4.39 -1.90 -3.34 114.58 113.01 2kgt h GLU 25 Ca 0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 2kgt h GLU 25 Cb 0.28 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.76 2kgt h GLU 25 CO -0.00 0.00 -0.69 -1.21 -1.16 0.00 0.00 179.01 175.95 2kgt s GLU 26 N -4.16 0.59 0.22 2.33 2.02 -0.10 -3.81 118.70 115.79 2kgt s GLU 26 Ca -0.05 -1.09 0.02 0.00 0.02 0.00 0.00 54.97 53.87 2kgt s GLU 26 Cb 0.13 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 2kgt s GLU 26 CO 0.41 -0.07 0.38 -0.51 0.02 0.00 0.00 175.26 175.49 2kgt s LEU 27 N -2.57 4.25 -0.82 1.80 1.02 -1.26 -4.55 118.68 116.54 2kgt s LEU 27 Ca 0.02 0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.43 2kgt s LEU 27 Cb 0.03 -3.03 0.22 0.00 0.02 0.00 0.00 46.19 43.43 2kgt s LEU 27 CO -0.07 -0.06 0.76 -0.24 0.02 0.00 0.00 176.35 176.76 2kgt n SER 28 N -1.03 4.01 -3.57 2.29 2.88 -1.26 -3.58 113.62 113.36 2kgt n SER 28 Ca -0.07 -3.23 -0.10 0.00 -1.33 0.00 0.00 58.87 54.14 2kgt n SER 28 Cb 0.55 -0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 63.06 2kgt n SER 28 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2kgt s PHE 29 N -1.70 -0.42 0.19 0.66 -0.71 -1.18 -4.97 117.98 109.85 2kgt s PHE 29 Ca 0.29 0.13 -0.06 0.00 -1.04 0.00 0.00 56.93 56.25 2kgt s PHE 29 Cb -0.02 0.61 -0.06 0.00 -1.21 0.00 0.00 43.02 42.34 2kgt s PHE 29 CO -0.10 -0.98 0.44 -0.98 -1.34 0.00 0.00 175.22 172.27 2kgt s ARG 30 N -3.80 3.67 1.06 1.99 1.70 -1.26 -3.28 118.95 119.03 2kgt s ARG 30 Ca 0.04 0.01 -0.19 0.00 -0.47 0.00 0.00 55.73 55.13 2kgt s ARG 30 Cb -0.03 -2.77 0.04 0.00 -0.57 0.00 0.00 34.95 31.62 2kgt s ARG 30 CO -0.06 0.39 -0.17 0.00 -1.08 0.00 0.00 175.30 174.38 2kgt n ALA 31 N -0.13 -4.15 0.00 7.88 0.00 0.85 -3.69 120.51 121.28 2kgt n ALA 31 Ca -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2kgt n ALA 31 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 2.20 3.18 3.76 0.00 0.00 -1.26 -4.94 105.19 108.12 2kgt n GLY 32 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 0.15 4.92 -0.10 1.61 1.11 -1.24 -5.04 116.67 118.09 2kgt s ASP 33 Ca 0.00 2.08 -0.02 0.00 0.18 0.00 0.00 52.55 54.79 2kgt s ASP 33 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2kgt s ASP 33 CO 0.00 -1.76 0.00 0.68 1.18 0.00 0.00 175.17 175.27 2kgt s VAL 34 N -2.24 4.32 0.18 -1.27 -7.23 -1.26 -4.68 120.40 108.22 2kgt s VAL 34 Ca 0.69 -0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 2kgt s VAL 34 Cb -0.22 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2kgt s VAL 34 CO 0.42 0.59 0.35 0.72 -0.31 0.00 0.00 175.10 176.87 2kgt s PHE 35 N -0.73 0.26 0.29 2.82 -0.71 -1.11 -4.16 117.98 114.64 2kgt s PHE 35 Ca 0.12 -0.62 0.11 0.00 -1.04 0.00 0.00 56.93 55.50 2kgt s PHE 35 Cb -0.12 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2kgt s PHE 35 CO 0.02 -0.78 -0.15 -1.58 -1.34 0.00 0.00 175.22 171.39 2kgt s HIS 36 N -3.95 2.38 -0.19 3.49 2.46 -1.20 -0.08 115.29 118.20 2kgt s HIS 36 Ca 0.15 -0.33 -0.14 0.00 0.47 0.00 0.00 55.06 55.21 2kgt s HIS 36 Cb 0.02 -1.09 -0.04 0.00 -0.13 0.00 0.00 32.58 31.34 2kgt s HIS 36 CO -0.00 0.68 0.31 0.14 -2.47 0.00 0.00 174.74 173.39 2kgt s VAL 37 N -2.49 5.28 -0.15 0.89 -7.23 -1.26 -2.53 120.40 112.91 2kgt s VAL 37 Ca 0.31 0.54 0.15 0.00 -1.81 0.00 0.00 61.98 61.17 2kgt s VAL 37 Cb -0.04 -3.64 -0.24 0.00 0.56 0.00 0.00 36.38 33.01 2kgt s VAL 37 CO 0.16 0.33 0.24 0.00 -0.31 0.00 0.00 175.10 175.52 2kgt n ALA 38 N 4.07 1.48 -3.71 1.32 0.00 -1.09 -4.93 120.51 117.64 2kgt n ALA 38 Ca -0.11 -1.14 -0.14 0.00 0.00 0.00 0.00 53.44 52.05 2kgt n ALA 38 Cb 0.52 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 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 0.10 -0.39 0.00 1.81 -1.26 -5.05 118.95 111.63 2kgt s ARG 39 Ca -0.10 0.49 -0.11 0.00 -1.72 0.00 0.00 55.73 54.28 2kgt s ARG 39 Cb 0.07 -0.18 0.04 0.00 -0.45 0.00 0.00 34.95 34.42 2kgt s ARG 39 CO 0.82 -0.22 0.24 -1.59 -0.68 0.00 0.00 175.30 173.87 2kgt s LYS 40 N 1.61 2.81 0.30 3.54 -2.85 -1.26 -1.93 119.74 121.96 2kgt s LYS 40 Ca -0.05 -1.16 0.08 0.00 -1.00 0.00 0.00 55.97 53.84 2kgt s LYS 40 Cb -0.12 -3.80 -0.04 0.00 -2.06 0.00 0.00 37.83 31.82 2kgt s LYS 40 CO -0.07 -0.78 0.12 -1.21 0.10 0.00 0.00 175.35 173.52 2kgt s GLU 41 N 1.55 2.49 0.45 1.78 8.01 -1.21 -5.02 118.70 126.75 2kgt s GLU 41 Ca 0.02 -1.39 0.25 0.00 0.01 0.00 0.00 54.97 53.87 2kgt s GLU 41 Cb -0.20 -2.27 0.87 0.00 -4.31 0.00 0.00 34.13 28.21 2kgt s GLU 41 CO 0.06 0.24 1.80 1.05 0.01 0.00 0.00 175.26 178.42 2kgt h GLU 42 N 1.61 0.00 0.00 1.61 4.11 -2.04 -3.38 114.58 116.49 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 0.17 0.00 1.04 0.07 0.00 0.00 179.01 180.90 2kgt n GLN 43 N -3.26 0.00 -4.37 1.06 6.02 -1.26 -5.04 117.38 110.53 2kgt n GLN 43 Ca 0.01 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 2kgt n GLN 43 Cb 0.44 -0.53 -0.11 0.00 1.02 0.00 0.00 30.24 31.07 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 -0.53 1.90 -0.12 1.08 -2.14 -1.26 -4.34 118.94 113.53 2kgt s TRP 44 Ca 0.00 -0.47 -0.04 0.00 2.66 0.00 0.00 56.10 58.24 2kgt s TRP 44 Cb 0.00 -0.90 -0.04 0.00 -3.10 0.00 0.00 33.47 29.43 2kgt s TRP 44 CO 0.00 0.42 0.05 -0.46 -2.66 0.00 0.00 176.95 174.30 2kgt s TRP 45 N -2.41 3.27 -0.26 1.66 -0.11 0.07 -3.32 118.94 117.85 2kgt s TRP 45 Ca 0.21 0.22 -0.25 0.00 1.22 0.00 0.00 56.10 57.49 2kgt s TRP 45 Cb -0.04 -1.90 -0.00 0.00 -1.50 0.00 0.00 33.47 30.03 2kgt s TRP 45 CO 0.08 0.43 0.87 -1.58 -4.62 0.00 0.00 176.95 172.14 2kgt s TRP 46 N -0.56 3.29 -0.00 5.86 0.52 -0.81 -1.75 118.94 125.49 2kgt s TRP 46 Ca 0.10 1.15 0.06 0.00 0.02 0.00 0.00 56.10 57.43 2kgt s TRP 46 Cb -0.12 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.02 2kgt s TRP 46 CO 0.02 -0.46 -0.18 0.00 0.02 0.00 0.00 176.95 176.35 2kgt s ALA 47 N 2.98 2.54 -0.10 0.98 0.00 -1.08 -2.67 121.76 124.41 2kgt s ALA 47 Ca 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2kgt s ALA 47 Cb -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.21 2kgt s ALA 47 CO 0.08 0.56 -0.09 0.99 0.00 0.00 0.00 175.76 177.30 2kgt s THR 48 N -0.80 1.06 -0.19 0.00 2.01 -1.05 -2.21 115.64 114.46 2kgt s THR 48 Ca 0.13 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 2kgt s THR 48 Cb -0.10 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 2kgt s THR 48 CO 0.02 0.36 0.70 -0.22 -0.69 0.00 0.00 174.62 174.80 2kgt s LEU 49 N 1.36 4.15 0.30 4.42 0.20 -0.52 -3.25 118.68 125.34 2kgt s LEU 49 Ca -0.01 0.95 0.10 0.00 0.69 0.00 0.00 54.13 55.85 2kgt s LEU 49 Cb -0.14 -3.01 -0.05 0.00 -0.43 0.00 0.00 46.19 42.56 2kgt s LEU 49 CO -0.04 -0.33 -0.02 -0.76 -0.29 0.00 0.00 176.35 174.91 2kgt s LEU 50 N 2.06 3.02 1.09 -0.68 1.43 -1.26 -0.11 118.68 124.24 2kgt s LEU 50 Ca 0.32 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2kgt s LEU 50 Cb -0.16 -1.48 0.25 0.00 0.03 0.00 0.00 46.19 44.83 2kgt s LEU 50 CO 0.11 -0.11 1.21 -0.62 0.23 0.00 0.00 176.35 177.17 2kgt s ASP 51 N -3.68 1.91 0.58 2.29 2.15 0.85 -4.82 116.67 115.95 2kgt s ASP 51 Ca 0.33 0.44 0.28 0.00 0.43 0.00 0.00 52.55 54.03 2kgt s ASP 51 Cb -0.03 -0.58 1.73 0.00 -0.30 0.00 0.00 42.92 43.74 2kgt s ASP 51 CO 0.19 -3.49 2.23 1.05 -0.17 0.00 0.00 175.17 174.98 2kgt h GLU 52 N -2.16 0.00 0.00 4.34 4.11 -1.99 0.03 114.58 118.91 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 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kgt h GLU 52 CO 0.35 0.01 -0.53 0.00 0.07 0.00 0.00 179.01 178.92 2kgt h ALA 53 N 1.99 0.71 0.00 1.06 0.00 -2.04 -3.47 119.26 117.50 2kgt h ALA 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kgt h ALA 53 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 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 1.21 1.28 3.66 0.00 0.00 -0.00 -5.07 105.19 106.26 2kgt n GLY 54 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.07 1.46 0.46 -0.02 0.00 -1.26 -4.46 107.32 101.43 2kgt s GLY 55 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 44.72 45.46 2kgt s GLY 55 CO 0.00 3.14 0.81 0.00 0.00 0.00 0.00 173.10 177.05 2kgt n ALA 56 N 7.46 -0.47 0.07 3.20 0.00 -1.26 -0.11 120.51 129.40 2kgt n ALA 56 Ca 0.18 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2kgt n ALA 56 Cb 0.43 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.92 0.60 -4.42 0.00 0.31 0.85 -4.75 118.33 110.00 2kgt n VAL 57 Ca 0.11 0.20 -0.25 0.00 -0.01 0.00 0.00 64.34 64.39 2kgt n VAL 57 Cb 0.41 -1.06 -0.11 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.00 2.48 -0.05 3.52 0.00 -0.98 -5.02 121.76 119.72 2kgt s ALA 58 Ca 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.28 2kgt s ALA 58 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kgt s ALA 58 CO 0.00 0.33 -0.06 -0.65 0.00 0.00 0.00 175.76 175.38 2kgt s GLN 59 N -3.01 1.01 -0.28 0.00 -0.21 -1.26 -1.44 119.66 114.46 2kgt s GLN 59 Ca 0.23 -0.16 -0.23 0.00 0.02 0.00 0.00 55.36 55.22 2kgt s GLN 59 Cb -0.06 -0.97 0.10 0.00 1.00 0.00 0.00 33.01 33.08 2kgt s GLN 59 CO 0.11 -0.07 0.87 0.20 -2.12 0.00 0.00 175.29 174.28 2kgt s GLY 60 N 0.91 -0.34 0.19 3.09 0.00 -0.94 -4.76 107.32 105.48 2kgt s GLY 60 Ca -0.11 2.48 -0.02 0.00 0.00 0.00 0.00 44.72 47.06 2kgt s GLY 60 CO 0.00 1.98 0.40 -2.52 0.00 0.00 0.00 173.10 172.97 2kgt s TYR 61 N 0.62 3.48 0.07 1.90 -0.85 -1.25 -2.64 117.35 118.68 2kgt s TYR 61 Ca -0.01 0.44 -0.17 0.00 -0.52 0.00 0.00 57.07 56.81 2kgt s TYR 61 Cb -0.05 -1.93 0.03 0.00 0.38 0.00 0.00 41.96 40.40 2kgt s TYR 61 CO -0.07 0.37 0.39 0.14 -1.52 0.00 0.00 175.55 174.86 2kgt s VAL 62 N -1.83 0.07 0.59 -3.49 -7.23 -0.72 -4.48 120.40 103.31 2kgt s VAL 62 Ca 0.40 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.85 2kgt s VAL 62 Cb -0.11 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2kgt s VAL 62 CO 0.28 -0.30 1.12 -2.16 -0.31 0.00 0.00 175.10 173.73 2kgt s PRO 63 N -2.89 3.14 0.61 4.82 0.04 -1.26 -0.75 135.00 138.71 2kgt s PRO 63 Ca -0.03 1.52 0.37 0.00 0.04 0.00 0.00 61.00 62.91 2kgt s PRO 63 Cb 0.00 -1.98 2.00 0.00 0.04 0.00 0.00 34.50 34.55 2kgt s PRO 63 CO -0.05 -1.00 2.25 0.45 0.04 0.00 0.00 177.00 178.69 2kgt h HIS 64 N 0.75 0.00 0.00 0.56 3.86 -1.83 -0.14 115.15 118.34 2kgt h HIS 64 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2kgt h HIS 64 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2kgt h HIS 64 CO 0.53 0.02 0.00 -1.71 0.86 0.00 0.00 177.93 177.63 2kgt n ASN 65 N -3.36 0.00 -0.03 2.45 2.85 -1.26 -3.92 115.26 111.99 2kgt n ASN 65 Ca -0.02 0.26 -0.03 0.00 -0.11 0.00 0.00 54.58 54.67 2kgt n ASN 65 Cb 0.13 -0.40 -0.01 0.00 1.24 0.00 0.00 39.78 40.74 2kgt n ASN 65 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgt n TYR 66 N -1.40 0.03 -3.22 1.20 4.19 -0.07 -5.02 117.16 112.86 2kgt n TYR 66 Ca 0.07 0.01 -0.24 0.00 3.31 0.00 0.00 57.90 61.05 2kgt n TYR 66 Cb 0.20 -0.20 -0.01 0.00 0.49 0.00 0.00 39.34 39.83 2kgt n TYR 66 CO 0.00 0.00 0.00 -0.48 0.91 0.00 0.00 176.86 177.29 2kgt s LEU 67 N -6.00 3.89 0.01 2.98 2.34 -1.11 -4.68 118.68 116.11 2kgt s LEU 67 Ca -0.10 0.45 -0.01 0.00 0.06 0.00 0.00 54.13 54.53 2kgt s LEU 67 Cb 0.01 -3.32 -0.01 0.00 -0.56 0.00 0.00 46.19 42.31 2kgt s LEU 67 CO 0.14 -0.42 0.01 0.00 -1.06 0.00 0.00 176.35 175.03 2kgt s ALA 68 N -2.41 0.01 0.42 1.48 0.00 -0.81 -4.68 121.76 115.77 2kgt s ALA 68 Ca 0.43 -0.31 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 2kgt s ALA 68 Cb -0.10 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 2kgt s ALA 68 CO 0.37 -0.12 1.14 -1.83 0.00 0.00 0.00 175.76 175.33 2kgt s GLU 69 N -0.95 3.96 -0.59 0.00 -1.05 -1.26 -2.35 118.70 116.46 2kgt s GLU 69 Ca -0.10 1.74 -0.09 0.00 -0.15 0.00 0.00 54.97 56.37 2kgt s GLU 69 Cb -0.06 -2.54 0.15 0.00 -0.44 0.00 0.00 34.13 31.24 2kgt s GLU 69 CO -0.00 -0.37 0.47 1.03 0.95 0.00 0.00 175.26 177.33 2kgt s ARG 70 N -2.50 2.75 -0.06 -4.83 1.81 -1.18 -4.89 118.95 110.05 2kgt s ARG 70 Ca 0.60 -2.13 -0.25 0.00 -1.72 0.00 0.00 55.73 52.23 2kgt s ARG 70 Cb -0.28 -3.99 -0.03 0.00 -0.45 0.00 0.00 34.95 30.20 2kgt s ARG 70 CO 0.35 -1.21 0.76 -1.21 -0.68 0.00 0.00 175.30 173.30 2kgt s GLU 71 N 0.71 4.45 0.00 3.54 2.02 -1.26 -4.57 118.70 123.58 2kgt s GLU 71 Ca 0.11 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.08 2kgt s GLU 71 Cb -0.21 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.56 2kgt s GLU 71 CO -0.03 0.01 0.31 0.25 0.02 0.00 0.00 175.26 175.82