#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt n VAL 2 N 0.00 1.24 -1.94 2.03 3.14 -1.26 -4.51 118.33 117.03 2kgt n VAL 2 Ca 0.00 -0.76 -0.32 0.00 -2.96 0.00 0.00 64.34 60.30 2kgt n VAL 2 Cb 0.00 -0.55 0.04 0.00 -1.06 0.00 0.00 33.84 32.27 2kgt n VAL 2 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kgt n SER 3 N -2.69 6.33 -0.02 6.55 3.41 -1.26 -4.73 113.62 121.22 2kgt n SER 3 Ca -0.30 -3.78 -0.13 0.00 -0.26 0.00 0.00 58.87 54.40 2kgt n SER 3 Cb 1.08 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 2kgt n SER 3 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kgt h ARG 4 N 2.49 0.05 -5.09 4.33 2.47 -2.09 -3.47 114.38 113.07 2kgt h ARG 4 Ca 0.47 -0.02 -0.60 0.00 -1.26 0.00 0.00 59.98 58.57 2kgt h ARG 4 Cb 0.75 -0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.94 2kgt h ARG 4 CO 1.19 0.49 -0.51 0.16 0.56 0.00 0.00 179.97 181.85 2kgt s ASP 5 N -5.71 3.23 -0.73 7.04 -4.77 -1.26 -5.07 116.67 109.40 2kgt s ASP 5 Ca -0.15 -1.67 -0.25 0.00 -3.30 0.00 0.00 52.55 47.17 2kgt s ASP 5 Cb 0.02 0.52 0.05 0.00 -1.09 0.00 0.00 42.92 42.42 2kgt s ASP 5 CO 0.68 -0.91 1.16 -1.58 0.70 0.00 0.00 175.17 175.22 2kgt s GLN 6 N -3.76 3.19 0.15 2.11 2.00 -1.26 -4.83 119.66 117.26 2kgt s GLN 6 Ca 0.18 -0.55 0.12 0.00 -2.00 0.00 0.00 55.36 53.11 2kgt s GLN 6 Cb 0.02 -4.27 -0.10 0.00 0.80 0.00 0.00 33.01 29.46 2kgt s GLN 6 CO 0.11 -2.01 1.21 0.00 -0.50 0.00 0.00 175.29 174.09 2kgt h ALA 7 N 9.81 0.56 -0.70 1.58 0.00 -1.98 -3.38 119.26 125.16 2kgt h ALA 7 Ca -0.25 -0.79 -0.75 0.00 0.00 0.00 0.00 54.91 53.13 2kgt h ALA 7 Cb 1.06 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 2kgt h ALA 7 CO 1.24 1.00 2.28 1.58 0.00 0.00 0.00 179.25 185.36 2kgt n HIS 8 N -3.20 3.07 -3.04 0.00 -0.00 -1.26 -4.81 115.22 105.97 2kgt n HIS 8 Ca -0.02 -2.83 -0.35 0.00 -0.00 0.00 0.00 57.72 54.52 2kgt n HIS 8 Cb 0.86 -2.08 -0.02 0.00 -0.00 0.00 0.00 29.99 28.74 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 4.36 5.48 0.00 0.27 4.77 -1.26 -5.05 117.00 125.58 2kgt n LEU 9 Ca 0.43 -5.41 0.16 0.00 -0.03 0.00 0.00 56.01 51.15 2kgt n LEU 9 Cb 0.37 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 2kgt n LEU 9 CO 0.84 2.00 -0.21 0.61 -1.33 0.00 0.00 177.39 179.30 2kgt n GLY 10 N 0.60 -1.97 3.63 -0.72 0.00 -1.26 -4.89 105.19 100.58 2kgt n GLY 10 Ca 0.32 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.96 -0.54 0.59 1.61 0.04 -1.26 -5.05 135.00 128.42 2kgt s PRO 11 Ca 0.00 0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.18 2kgt s PRO 11 Cb 0.00 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.91 2kgt s PRO 11 CO 0.00 -3.31 0.87 0.21 0.04 0.00 0.00 177.00 174.82 2kgt s LYS 12 N -5.21 2.77 -0.04 4.56 2.20 -1.26 -5.01 119.74 117.76 2kgt s LYS 12 Ca 0.68 -0.20 0.07 0.00 -0.36 0.00 0.00 55.97 56.17 2kgt s LYS 12 Cb -0.14 -2.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2kgt s LYS 12 CO 0.57 -0.74 -0.25 0.71 -0.36 0.00 0.00 175.35 175.28 2kgt s TYR 13 N -2.95 2.33 0.03 4.03 1.51 -1.22 -3.81 117.35 117.27 2kgt s TYR 13 Ca 0.54 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2kgt s TYR 13 Cb -0.10 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2kgt s TYR 13 CO 0.43 -0.12 -0.04 0.54 -1.11 0.00 0.00 175.55 175.25 2kgt s VAL 14 N -0.40 0.25 0.00 0.71 0.11 -1.17 -2.15 120.40 117.75 2kgt s VAL 14 Ca 0.04 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2kgt s VAL 14 Cb -0.11 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2kgt s VAL 14 CO 0.01 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 171.97 2kgt n GLY 15 N 1.66 0.00 2.58 6.54 0.00 -1.26 -2.92 105.19 111.79 2kgt n GLY 15 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 4.44 -4.18 0.99 -0.00 -1.26 -2.94 117.00 114.05 2kgt n LEU 16 Ca 0.00 -5.39 -0.35 0.00 -0.00 0.00 0.00 56.01 50.27 2kgt n LEU 16 Cb 0.00 -0.82 0.09 0.00 -0.00 0.00 0.00 43.42 42.68 2kgt n LEU 16 CO 0.00 1.96 -0.92 1.87 -0.00 0.00 0.00 177.39 180.31 2kgt n TRP 17 N 0.98 -2.77 -1.51 1.96 -0.00 -1.26 -0.11 117.44 114.73 2kgt n TRP 17 Ca 0.29 0.19 -0.40 0.00 -0.00 0.00 0.00 57.50 57.57 2kgt n TRP 17 Cb 0.39 -1.56 -0.10 0.00 -0.00 0.00 0.00 31.31 30.04 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 1.06 1.18 -3.65 5.87 5.75 -1.26 -4.16 116.55 121.33 2kgt n ASP 18 Ca 0.01 -0.05 -0.11 0.00 -0.01 0.00 0.00 54.79 54.63 2kgt n ASP 18 Cb 0.59 -1.19 -0.11 0.00 -1.03 0.00 0.00 41.12 39.38 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kgt s PHE 19 N 10.04 -0.60 -0.31 2.11 2.19 -1.21 -5.00 117.98 125.19 2kgt s PHE 19 Ca 1.20 1.22 0.04 0.00 0.33 0.00 0.00 56.93 59.72 2kgt s PHE 19 Cb -0.83 0.12 0.09 0.00 -1.31 0.00 0.00 43.02 41.08 2kgt s PHE 19 CO 0.41 -0.42 0.00 0.15 1.83 0.00 0.00 175.22 177.19 2kgt s LYS 20 N 2.51 1.73 0.64 10.12 3.01 -1.26 -3.08 119.74 133.41 2kgt s LYS 20 Ca 0.00 -1.71 0.07 0.00 -1.01 0.00 0.00 55.97 53.32 2kgt s LYS 20 Cb -0.12 -3.11 0.11 0.00 -1.01 0.00 0.00 37.83 33.70 2kgt s LYS 20 CO -0.11 -0.82 0.88 -1.12 0.51 0.00 0.00 175.35 174.69 2kgt s SER 21 N 0.97 4.79 -0.15 2.83 0.01 -1.23 -5.03 113.70 115.89 2kgt s SER 21 Ca 0.05 -0.79 0.14 0.00 1.31 0.00 0.00 55.95 56.66 2kgt s SER 21 Cb -0.19 0.36 0.36 0.00 0.21 0.00 0.00 66.02 66.76 2kgt s SER 21 CO -0.07 -1.58 1.18 0.54 0.41 0.00 0.00 173.24 173.72 2kgt n ARG 22 N -2.47 1.24 -3.83 12.44 1.74 -1.26 -4.81 116.66 119.71 2kgt n ARG 22 Ca 0.17 -2.84 -0.12 0.00 -0.77 0.00 0.00 57.85 54.29 2kgt n ARG 22 Cb 0.62 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.60 0.08 0.62 0.55 -4.23 -1.26 -5.02 115.64 103.79 2kgt s THR 23 Ca 0.34 -0.69 0.35 0.00 -1.18 0.00 0.00 61.69 60.51 2kgt s THR 23 Cb 0.33 -0.63 0.38 0.00 1.34 0.00 0.00 72.50 73.92 2kgt s THR 23 CO -0.05 -0.38 2.25 0.44 -0.54 0.00 0.00 174.62 176.34 2kgt h ASP 24 N 3.90 0.00 -0.00 3.99 3.32 -1.96 -0.67 116.42 124.99 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 0.43 0.00 0.02 -0.33 -1.72 0.00 0.00 179.24 177.64 2kgt h GLU 25 N 0.00 0.00 -4.93 3.56 5.08 -1.89 -3.31 114.58 113.09 2kgt h GLU 25 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.08 2kgt h GLU 25 Cb 0.14 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.23 2kgt h GLU 25 CO -0.00 0.00 -0.72 -1.21 -1.00 0.00 0.00 179.01 176.08 2kgt s GLU 26 N -4.20 0.92 0.34 2.33 2.02 -0.26 -3.76 118.70 116.09 2kgt s GLU 26 Ca -0.05 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 53.60 2kgt s GLU 26 Cb 0.13 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.82 2kgt s GLU 26 CO 0.42 0.06 0.61 -0.51 0.02 0.00 0.00 175.26 175.86 2kgt s LEU 27 N -2.82 3.97 -0.74 1.80 2.01 -1.26 -4.65 118.68 116.99 2kgt s LEU 27 Ca 0.11 0.76 0.04 0.00 0.01 0.00 0.00 54.13 55.05 2kgt s LEU 27 Cb 0.01 -3.61 0.27 0.00 0.01 0.00 0.00 46.19 42.86 2kgt s LEU 27 CO -0.01 -0.29 0.94 -1.54 1.01 0.00 0.00 176.35 176.47 2kgt n SER 28 N -1.27 4.47 -3.60 2.29 3.41 -1.26 -3.56 113.62 114.10 2kgt n SER 28 Ca -0.01 -3.47 -0.10 0.00 -0.26 0.00 0.00 58.87 55.03 2kgt n SER 28 Cb 0.54 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.67 -0.39 0.51 7.33 5.36 -1.18 -4.97 117.98 121.97 2kgt s PHE 29 Ca 0.39 0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 2kgt s PHE 29 Cb 0.14 0.61 0.02 0.00 -0.34 0.00 0.00 43.02 43.45 2kgt s PHE 29 CO 0.00 -1.00 0.73 -0.98 -1.46 0.00 0.00 175.22 172.51 2kgt s ARG 30 N -3.82 2.71 1.14 10.12 1.70 -1.26 -3.32 118.95 126.22 2kgt s ARG 30 Ca 0.05 -0.73 -0.13 0.00 -0.47 0.00 0.00 55.73 54.45 2kgt s ARG 30 Cb -0.03 -2.53 0.27 0.00 -0.57 0.00 0.00 34.95 32.09 2kgt s ARG 30 CO -0.05 -0.56 1.04 0.00 -1.08 0.00 0.00 175.30 174.65 2kgt s ALA 31 N -2.67 -0.24 0.00 7.88 0.00 0.84 -3.78 121.76 123.79 2kgt s ALA 31 Ca 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2kgt s ALA 31 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2kgt s ALA 31 CO 0.38 -3.67 0.00 0.41 0.00 0.00 0.00 175.76 172.87 2kgt n GLY 32 N 0.34 3.06 3.81 0.00 0.00 -1.26 -4.95 105.19 106.18 2kgt n GLY 32 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.16 5.87 0.02 1.61 2.15 -1.25 -5.04 116.67 119.87 2kgt s ASP 33 Ca 0.00 1.80 -0.17 0.00 0.43 0.00 0.00 52.55 54.61 2kgt s ASP 33 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 2kgt s ASP 33 CO 0.00 -1.11 0.48 0.68 -0.17 0.00 0.00 175.17 175.05 2kgt s VAL 34 N -2.45 4.92 0.23 1.11 -7.23 -1.26 -4.71 120.40 111.00 2kgt s VAL 34 Ca 0.63 1.01 0.04 0.00 -1.81 0.00 0.00 61.98 61.85 2kgt s VAL 34 Cb -0.16 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 32.93 2kgt s VAL 34 CO 0.36 0.55 -0.02 -0.36 -0.31 0.00 0.00 175.10 175.32 2kgt s PHE 35 N -0.94 1.56 -0.03 2.82 0.08 -0.91 -4.03 117.98 116.53 2kgt s PHE 35 Ca 0.26 -0.89 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 2kgt s PHE 35 Cb -0.18 -0.90 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2kgt s PHE 35 CO 0.15 -0.01 0.06 -1.58 -0.10 0.00 0.00 175.22 173.75 2kgt s HIS 36 N -3.38 -0.04 0.00 0.36 5.65 -1.20 -3.41 115.29 113.26 2kgt s HIS 36 Ca 0.28 0.22 -0.19 0.00 0.25 0.00 0.00 55.06 55.61 2kgt s HIS 36 Cb 0.05 -0.13 -0.06 0.00 -1.18 0.00 0.00 32.58 31.26 2kgt s HIS 36 CO 0.08 -0.09 0.55 0.54 -0.65 0.00 0.00 174.74 175.17 2kgt s VAL 37 N 0.82 4.91 -0.06 0.89 0.11 -1.26 -1.73 120.40 124.08 2kgt s VAL 37 Ca -0.07 1.15 0.12 0.00 -2.93 0.00 0.00 61.98 60.25 2kgt s VAL 37 Cb -0.09 -3.88 -0.18 0.00 -1.53 0.00 0.00 36.38 30.70 2kgt s VAL 37 CO -0.03 0.47 0.28 0.00 -3.33 0.00 0.00 175.10 172.48 2kgt n ALA 38 N 2.44 2.52 -3.48 1.54 0.00 -0.73 -5.00 120.51 117.80 2kgt n ALA 38 Ca -0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 2kgt n ALA 38 Cb 0.51 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.77 0.78 -0.23 0.00 1.81 -1.19 -5.02 118.95 112.33 2kgt s ARG 39 Ca -0.04 0.59 -0.00 0.00 -1.72 0.00 0.00 55.73 54.56 2kgt s ARG 39 Cb 0.08 0.37 0.06 0.00 -0.45 0.00 0.00 34.95 35.02 2kgt s ARG 39 CO 0.49 -0.15 -0.01 0.21 -0.68 0.00 0.00 175.30 175.16 2kgt s LYS 40 N -0.21 1.22 0.72 3.54 2.20 -1.26 -0.07 119.74 125.87 2kgt s LYS 40 Ca -0.04 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 2kgt s LYS 40 Cb -0.03 -2.40 0.11 0.00 -1.51 0.00 0.00 37.83 34.00 2kgt s LYS 40 CO 0.03 -0.66 1.00 -2.00 -0.36 0.00 0.00 175.35 173.36 2kgt s GLU 41 N 1.55 1.74 0.17 4.03 2.12 -0.72 -4.97 118.70 122.62 2kgt s GLU 41 Ca -0.02 -0.92 0.23 0.00 0.36 0.00 0.00 54.97 54.62 2kgt s GLU 41 Cb -0.18 -2.29 0.90 0.00 0.26 0.00 0.00 34.13 32.82 2kgt s GLU 41 CO -0.09 -1.42 1.70 -0.85 -0.54 0.00 0.00 175.26 174.06 2kgt n GLU 42 N -2.87 0.15 0.00 4.30 0.28 -1.26 -4.40 120.64 116.85 2kgt n GLU 42 Ca 0.13 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2kgt n GLU 42 Cb 0.60 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.73 2kgt n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kgt n GLN 43 N -2.02 0.00 -4.08 3.44 10.64 -1.26 -5.10 117.38 119.00 2kgt n GLN 43 Ca 0.04 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.96 2kgt n GLN 43 Cb 0.28 -0.01 -0.05 0.00 -0.86 0.00 0.00 30.24 29.60 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2kgt s TRP 44 N -0.69 3.16 -0.06 2.61 0.51 -1.26 -4.83 118.94 118.38 2kgt s TRP 44 Ca 0.00 -0.04 0.05 0.00 -2.12 0.00 0.00 56.10 53.98 2kgt s TRP 44 Cb 0.00 -1.48 -0.02 0.00 -0.81 0.00 0.00 33.47 31.16 2kgt s TRP 44 CO 0.00 0.52 -0.20 -1.58 -0.51 0.00 0.00 176.95 175.18 2kgt s TRP 45 N -1.88 2.57 -0.32 -1.98 0.51 -1.26 -1.75 118.94 114.82 2kgt s TRP 45 Ca 0.32 -0.47 -0.28 0.00 -2.12 0.00 0.00 56.10 53.55 2kgt s TRP 45 Cb -0.09 -1.63 0.01 0.00 -0.81 0.00 0.00 33.47 30.95 2kgt s TRP 45 CO 0.24 -0.05 1.01 -1.58 -0.51 0.00 0.00 176.95 176.06 2kgt s TRP 46 N -0.35 3.15 0.20 -1.98 0.52 0.89 -3.46 118.94 117.92 2kgt s TRP 46 Ca 0.03 1.09 0.11 0.00 0.02 0.00 0.00 56.10 57.35 2kgt s TRP 46 Cb -0.12 -3.60 -0.04 0.00 -1.15 0.00 0.00 33.47 28.55 2kgt s TRP 46 CO 0.02 -0.73 -0.23 0.00 0.02 0.00 0.00 176.95 176.02 2kgt s ALA 47 N 3.50 2.56 -0.04 0.98 0.00 -1.14 -1.77 121.76 125.85 2kgt s ALA 47 Ca 0.42 -1.65 0.06 0.00 0.00 0.00 0.00 51.96 50.79 2kgt s ALA 47 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2kgt s ALA 47 CO 0.15 0.42 -0.21 0.99 0.00 0.00 0.00 175.76 177.11 2kgt s THR 48 N -1.72 1.75 -0.34 0.00 2.01 -0.71 -0.74 115.64 115.88 2kgt s THR 48 Ca 0.21 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 2kgt s THR 48 Cb -0.08 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.96 2kgt s THR 48 CO 0.10 0.49 0.64 -0.22 -0.69 0.00 0.00 174.62 174.95 2kgt s LEU 49 N -0.21 4.23 0.29 4.42 0.20 0.92 -3.28 118.68 125.26 2kgt s LEU 49 Ca 0.00 0.22 0.09 0.00 0.69 0.00 0.00 54.13 55.12 2kgt s LEU 49 Cb -0.11 -2.80 -0.04 0.00 -0.43 0.00 0.00 46.19 42.80 2kgt s LEU 49 CO 0.02 -0.57 0.09 -0.76 -0.29 0.00 0.00 176.35 174.84 2kgt s LEU 50 N 2.70 3.34 0.99 -0.68 1.43 -1.26 -0.66 118.68 124.55 2kgt s LEU 50 Ca 0.25 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 2kgt s LEU 50 Cb -0.14 -1.85 0.23 0.00 0.03 0.00 0.00 46.19 44.45 2kgt s LEU 50 CO 0.14 -0.13 1.35 -0.62 0.23 0.00 0.00 176.35 177.33 2kgt s ASP 51 N -3.78 2.83 0.56 2.29 2.15 -0.61 -4.72 116.67 115.39 2kgt s ASP 51 Ca 0.34 0.14 0.24 0.00 0.43 0.00 0.00 52.55 53.70 2kgt s ASP 51 Cb -0.05 -0.09 1.52 0.00 -0.30 0.00 0.00 42.92 44.00 2kgt s ASP 51 CO 0.22 -2.90 2.15 1.05 -0.17 0.00 0.00 175.17 175.52 2kgt h GLU 52 N -1.75 0.00 0.00 4.34 4.11 -1.94 0.11 114.58 119.44 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 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgt h GLU 52 CO 0.32 0.00 -0.20 0.00 0.07 0.00 0.00 179.01 179.20 2kgt h ALA 53 N 1.92 0.89 0.00 1.06 0.00 -2.01 -3.47 119.26 117.65 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 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 1.18 1.00 3.62 0.00 0.00 0.37 -5.05 105.19 106.30 2kgt n GLY 54 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.10 1.02 0.24 -0.02 0.00 -1.26 -4.50 107.32 100.69 2kgt s GLY 55 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 44.72 44.91 2kgt s GLY 55 CO 0.00 3.22 1.35 0.00 0.00 0.00 0.00 173.10 177.67 2kgt n ALA 56 N 9.34 0.80 0.00 3.20 0.00 -1.26 -1.57 120.51 131.02 2kgt n ALA 56 Ca 0.21 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2kgt n ALA 56 Cb 0.45 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.68 0.00 -4.36 0.00 0.24 0.17 -4.88 118.33 111.18 2kgt n VAL 57 Ca 0.12 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.23 2kgt n VAL 57 Cb 0.31 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.69 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 1.95 -0.03 2.33 0.00 -0.71 -5.02 121.76 118.34 2kgt s ALA 58 Ca 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 51.96 50.11 2kgt s ALA 58 Cb 0.00 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2kgt s ALA 58 CO 0.00 -0.42 -0.07 -0.65 0.00 0.00 0.00 175.76 174.62 2kgt s GLN 59 N -3.97 0.86 -0.24 0.00 -0.21 -1.26 -0.05 119.66 114.79 2kgt s GLN 59 Ca 0.37 -0.23 -0.26 0.00 0.02 0.00 0.00 55.36 55.26 2kgt s GLN 59 Cb 0.08 -0.82 0.12 0.00 1.00 0.00 0.00 33.01 33.38 2kgt s GLN 59 CO 0.14 0.05 1.00 0.20 -2.12 0.00 0.00 175.29 174.56 2kgt s GLY 60 N 0.39 -0.21 0.25 3.09 0.00 0.08 -4.77 107.32 106.15 2kgt s GLY 60 Ca -0.06 2.44 0.04 0.00 0.00 0.00 0.00 44.72 47.15 2kgt s GLY 60 CO 0.00 1.60 0.39 -2.52 0.00 0.00 0.00 173.10 172.58 2kgt s TYR 61 N -0.14 3.46 0.06 1.90 -0.85 -1.25 -2.88 117.35 117.66 2kgt s TYR 61 Ca 0.01 0.04 -0.17 0.00 -0.52 0.00 0.00 57.07 56.44 2kgt s TYR 61 Cb -0.04 -1.62 0.03 0.00 0.38 0.00 0.00 41.96 40.71 2kgt s TYR 61 CO -0.03 0.39 0.39 0.14 -1.52 0.00 0.00 175.55 174.91 2kgt s VAL 62 N -2.03 0.07 0.43 -3.49 -7.23 -1.22 -4.23 120.40 102.69 2kgt s VAL 62 Ca 0.35 -0.54 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 2kgt s VAL 62 Cb -0.09 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 2kgt s VAL 62 CO 0.30 -0.30 1.18 -2.16 -0.31 0.00 0.00 175.10 173.81 2kgt s PRO 63 N -2.82 3.90 0.59 4.82 0.04 -1.26 -4.14 135.00 136.14 2kgt s PRO 63 Ca -0.03 1.84 0.29 0.00 0.04 0.00 0.00 61.00 63.13 2kgt s PRO 63 Cb -0.00 -2.56 1.62 0.00 0.04 0.00 0.00 34.50 33.60 2kgt s PRO 63 CO -0.05 -0.45 2.06 1.25 0.04 0.00 0.00 177.00 179.86 2kgt h HIS 64 N 2.36 0.00 0.00 0.56 -0.00 -1.88 0.25 115.15 116.44 2kgt h HIS 64 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2kgt h HIS 64 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2kgt h HIS 64 CO 0.54 0.00 0.00 -0.97 -0.00 0.00 0.00 177.93 177.50 2kgt h ASN 65 N 0.00 0.00 0.00 3.26 -0.00 -1.99 -3.27 115.58 113.58 2kgt h ASN 65 Ca 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.24 2kgt h ASN 65 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.91 2kgt h ASN 65 CO -0.00 0.00 -1.53 0.00 -0.00 0.00 0.00 177.43 175.90 2kgt n TYR 66 N -3.08 0.08 -3.47 0.67 9.36 0.83 -4.97 117.16 116.57 2kgt n TYR 66 Ca -0.01 0.03 -0.38 0.00 3.32 0.00 0.00 57.90 60.87 2kgt n TYR 66 Cb 0.21 -0.71 -0.06 0.00 -0.63 0.00 0.00 39.34 38.15 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 -7.78 4.47 -0.05 2.98 1.98 -0.89 -4.47 118.68 114.92 2kgt s LEU 67 Ca -0.32 1.00 -0.14 0.00 -2.89 0.00 0.00 54.13 51.78 2kgt s LEU 67 Cb 0.08 -2.68 0.03 0.00 0.66 0.00 0.00 46.19 44.28 2kgt s LEU 67 CO 0.45 0.30 0.33 0.00 -1.89 0.00 0.00 176.35 175.53 2kgt s ALA 68 N -1.12 -0.82 0.80 5.97 0.00 -1.15 -4.49 121.76 120.96 2kgt s ALA 68 Ca 0.26 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2kgt s ALA 68 Cb -0.17 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 22.91 2kgt s ALA 68 CO 0.15 -0.23 1.11 -1.83 0.00 0.00 0.00 175.76 174.95 2kgt s GLU 69 N -0.88 1.96 -0.50 0.00 -1.05 -1.26 -3.04 118.70 113.93 2kgt s GLU 69 Ca -0.10 1.31 0.08 0.00 -0.15 0.00 0.00 54.97 56.11 2kgt s GLU 69 Cb -0.04 -1.85 0.29 0.00 -0.44 0.00 0.00 34.13 32.08 2kgt s GLU 69 CO 0.03 -1.89 0.72 0.54 0.95 0.00 0.00 175.26 175.62 2kgt n ARG 70 N -3.61 1.83 -1.94 -4.83 1.74 -1.25 -4.86 116.66 103.75 2kgt n ARG 70 Ca 0.10 -4.02 -0.42 0.00 -0.77 0.00 0.00 57.85 52.74 2kgt n ARG 70 Cb 0.53 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2kgt n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kgt s GLU 71 N -2.31 4.22 0.00 5.56 2.02 -1.26 -4.83 118.70 122.10 2kgt s GLU 71 Ca 0.40 2.36 0.31 0.00 0.02 0.00 0.00 54.97 58.06 2kgt s GLU 71 Cb 0.23 -3.19 1.62 0.00 0.10 0.00 0.00 34.13 32.89 2kgt s GLU 71 CO -0.08 -0.61 2.07 0.25 0.02 0.00 0.00 175.26 176.90