#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi n ASP 21 N 0.00 -3.44 -1.21 6.12 8.00 -1.26 -4.85 116.55 119.90 2kyi n ASP 21 Ca 0.00 0.44 0.03 0.00 0.71 0.00 0.00 54.79 55.97 2kyi n ASP 21 Cb 0.00 -1.90 0.01 0.00 -0.02 0.00 0.00 41.12 39.21 2kyi n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kyi n ASN 22 N -3.19 0.67 -4.59 -2.24 5.15 -1.26 -5.07 115.26 104.73 2kyi n ASN 22 Ca -0.02 -1.99 -0.42 0.00 -0.60 0.00 0.00 54.58 51.55 2kyi n ASN 22 Cb 0.27 -0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2kyi s ARG 23 N 0.00 3.42 -0.03 1.20 0.52 -1.25 -4.06 118.95 118.75 2kyi s ARG 23 Ca 0.24 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 2kyi s ARG 23 Cb 0.27 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 2kyi s ARG 23 CO -0.12 -1.76 0.02 -0.65 0.02 0.00 0.00 175.30 172.80 2kyi s GLN 24 N 5.30 2.89 -0.38 3.54 -0.21 0.01 -4.83 119.66 125.99 2kyi s GLN 24 Ca 0.63 -0.53 -0.14 0.00 0.02 0.00 0.00 55.36 55.34 2kyi s GLN 24 Cb -0.14 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.13 2kyi s GLN 24 CO 0.30 0.65 0.28 -0.06 -2.12 0.00 0.00 175.29 174.35 2kyi s PHE 25 N -1.04 3.23 -0.13 0.91 0.40 -1.26 -2.41 117.98 117.68 2kyi s PHE 25 Ca 0.18 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2kyi s PHE 25 Cb -0.12 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2kyi s PHE 25 CO 0.08 -0.49 -0.01 -1.17 0.70 0.00 0.00 175.22 174.34 2kyi s LEU 26 N 1.74 3.46 -0.12 -0.37 2.96 0.58 -4.97 118.68 121.96 2kyi s LEU 26 Ca 0.06 0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2kyi s LEU 26 Cb -0.18 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.72 2kyi s LEU 26 CO 0.10 0.25 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.81 2kyi s SER 27 N -0.09 2.23 -0.07 3.68 0.15 -1.26 -0.82 113.70 117.52 2kyi s SER 27 Ca 0.03 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.33 2kyi s SER 27 Cb -0.13 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2kyi s SER 27 CO 0.02 -0.20 -0.18 -0.22 1.20 0.00 0.00 173.24 173.86 2kyi s LEU 28 N 1.82 1.90 -0.25 3.45 2.96 -0.51 -4.97 118.68 123.09 2kyi s LEU 28 Ca 0.03 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 2kyi s LEU 28 Cb -0.14 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 2kyi s LEU 28 CO -0.07 0.13 0.14 0.42 -1.32 0.00 0.00 176.35 175.65 2kyi s THR 29 N 0.27 5.07 0.00 3.68 -4.23 -1.26 -0.40 115.64 118.77 2kyi s THR 29 Ca -0.11 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2kyi s THR 29 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.32 2kyi s THR 29 CO 0.05 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2kyi n GLY 30 N 4.61 1.88 3.70 3.99 0.00 -0.08 -4.97 105.19 114.32 2kyi n GLY 30 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2kyi n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kyi s VAL 31 N -1.88 5.23 -0.28 1.61 1.01 -1.06 -3.72 120.40 121.30 2kyi s VAL 31 Ca 0.00 0.74 0.21 0.00 0.00 0.00 0.00 61.98 62.93 2kyi s VAL 31 Cb 0.00 -3.73 -0.30 0.00 0.00 0.00 0.00 36.38 32.35 2kyi s VAL 31 CO 0.00 0.31 0.57 -1.20 0.00 0.00 0.00 175.10 174.79 2kyi n SER 32 N 3.97 0.35 -3.56 3.32 7.64 0.13 -4.66 113.62 120.80 2kyi n SER 32 Ca -0.09 -0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.44 2kyi n SER 32 Cb 0.51 1.72 -0.04 0.00 -1.01 0.00 0.00 64.21 65.39 2kyi n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kyi s LYS 33 N -3.34 0.63 -0.38 1.43 2.20 -0.75 -5.01 119.74 114.51 2kyi s LYS 33 Ca -0.04 -0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.46 2kyi s LYS 33 Cb 0.14 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.78 2kyi s LYS 33 CO 0.88 -0.23 0.22 0.14 -0.36 0.00 0.00 175.35 176.00 2kyi s VAL 34 N -1.77 4.65 -0.02 4.02 -7.23 -1.26 0.11 120.40 118.89 2kyi s VAL 34 Ca 0.01 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.10 2kyi s VAL 34 Cb -0.01 -3.61 -0.16 0.00 0.56 0.00 0.00 36.38 33.17 2kyi s VAL 34 CO -0.02 -0.26 1.03 1.56 -0.31 0.00 0.00 175.10 177.10 2kyi h GLN 35 N 8.46 -0.33 -3.83 4.82 4.20 -1.47 -3.44 115.11 123.51 2kyi h GLN 35 Ca -0.25 0.02 -0.46 0.00 0.06 0.00 0.00 58.65 58.02 2kyi h GLN 35 Cb 1.10 0.08 -0.38 0.00 0.30 0.00 0.00 27.48 28.58 2kyi h GLN 35 CO 0.68 0.03 -0.78 -1.12 -0.67 0.00 0.00 178.83 176.97 2kyi s SER 36 N -5.23 1.78 -0.51 1.46 0.01 -1.25 -5.01 113.70 104.95 2kyi s SER 36 Ca -0.13 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 56.77 2kyi s SER 36 Cb 0.01 -0.55 0.06 0.00 0.21 0.00 0.00 66.02 65.75 2kyi s SER 36 CO 0.49 -0.18 0.66 0.12 0.41 0.00 0.00 173.24 174.74 2kyi s PHE 37 N 1.90 3.02 -0.04 2.43 5.36 -1.26 -2.06 117.98 127.33 2kyi s PHE 37 Ca 0.05 -0.49 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 2kyi s PHE 37 Cb -0.12 -3.61 0.01 0.00 -0.34 0.00 0.00 43.02 38.96 2kyi s PHE 37 CO -0.06 -1.07 -0.10 0.34 -1.46 0.00 0.00 175.22 172.87 2kyi s ASP 38 N 2.73 1.38 0.00 6.13 -1.08 -1.08 -5.03 116.67 119.72 2kyi s ASP 38 Ca 0.17 -0.22 0.04 0.00 -0.52 0.00 0.00 52.55 52.02 2kyi s ASP 38 Cb -0.19 -0.51 0.18 0.00 -1.46 0.00 0.00 42.92 40.95 2kyi s ASP 38 CO 0.13 0.04 1.12 -2.65 0.52 0.00 0.00 175.17 174.33 2kyi n PRO 39 N 3.57 0.00 0.00 4.34 -0.02 -1.26 -1.10 135.00 140.53 2kyi n PRO 39 Ca -0.21 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2kyi n PRO 39 Cb 0.53 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.51 2kyi n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kyi n LYS 40 N -1.48 0.72 -3.15 -0.52 5.02 -1.26 -1.24 118.16 116.25 2kyi n LYS 40 Ca 0.01 -0.52 0.05 0.00 -2.02 0.00 0.00 58.31 55.83 2kyi n LYS 40 Cb 0.05 -0.96 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2kyi s GLU 41 N -0.40 0.33 -0.24 1.97 2.12 -0.26 -1.24 118.70 120.98 2kyi s GLU 41 Ca 0.02 0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 2kyi s GLU 41 Cb 0.02 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2kyi s GLU 41 CO 0.04 -0.41 0.09 0.42 -0.54 0.00 0.00 175.26 174.87 2kyi s ILE 42 N 2.91 4.63 -0.49 -3.70 1.01 -0.45 -2.62 121.20 122.50 2kyi s ILE 42 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 2kyi s ILE 42 Cb -0.11 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.25 2kyi s ILE 42 CO -0.17 0.35 0.58 -0.76 0.00 0.00 0.00 174.94 174.94 2kyi s LEU 43 N 1.38 4.98 -0.22 2.97 1.43 -0.87 -1.34 118.68 127.00 2kyi s LEU 43 Ca 0.06 -0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 52.10 2kyi s LEU 43 Cb -0.15 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2kyi s LEU 43 CO 0.05 -0.82 0.54 -0.76 0.23 0.00 0.00 176.35 175.59 2kyi s LEU 44 N 2.48 4.11 -0.33 1.79 1.43 -0.21 -1.09 118.68 126.87 2kyi s LEU 44 Ca 0.14 0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 53.71 2kyi s LEU 44 Cb -0.19 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2kyi s LEU 44 CO 0.12 -0.24 0.48 -0.70 0.23 0.00 0.00 176.35 176.25 2kyi s GLU 45 N 1.93 3.71 0.55 1.70 2.12 0.12 0.20 118.70 129.02 2kyi s GLU 45 Ca 0.24 -0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.53 2kyi s GLU 45 Cb -0.15 -3.77 0.05 0.00 0.26 0.00 0.00 34.13 30.51 2kyi s GLU 45 CO 0.09 -0.56 0.52 0.95 -0.54 0.00 0.00 175.26 175.72 2kyi s THR 46 N 2.31 1.84 0.10 -1.70 -4.23 -0.04 0.19 115.64 114.10 2kyi s THR 46 Ca 0.18 -1.34 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 2kyi s THR 46 Cb -0.16 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.54 2kyi s THR 46 CO 0.12 0.00 0.81 2.30 -0.54 0.00 0.00 174.62 177.31 2kyi n ILE 47 N -1.90 -0.32 -2.95 2.99 -5.35 -1.24 -2.61 119.36 107.98 2kyi n ILE 47 Ca 0.04 1.25 -0.13 0.00 -0.27 0.00 0.00 62.75 63.64 2kyi n ILE 47 Cb 0.63 -1.59 0.03 0.00 -1.74 0.00 0.00 39.64 36.97 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kyi n GLN 48 N -4.71 1.02 -3.86 6.28 1.13 -1.26 -5.10 117.38 110.90 2kyi n GLN 48 Ca 0.03 -2.79 -0.02 0.00 -1.94 0.00 0.00 57.00 52.28 2kyi n GLN 48 Cb 0.17 -1.31 0.02 0.00 0.11 0.00 0.00 30.24 29.22 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kyi n GLY 49 N 0.20 0.53 2.72 1.08 0.00 -1.07 -4.84 105.19 103.80 2kyi n GLY 49 Ca 0.15 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2kyi n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kyi s VAL 50 N -2.06 0.02 -0.46 1.61 1.01 -1.26 -0.87 120.40 118.40 2kyi s VAL 50 Ca 0.24 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 2kyi s VAL 50 Cb -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.16 2kyi s VAL 50 CO 0.04 0.19 0.50 -0.22 0.00 0.00 0.00 175.10 175.60 2kyi s LEU 51 N 1.91 5.04 -0.58 3.92 2.96 0.13 -4.18 118.68 127.88 2kyi s LEU 51 Ca 0.02 -0.87 -0.22 0.00 -0.22 0.00 0.00 54.13 52.84 2kyi s LEU 51 Cb -0.12 -2.38 0.06 0.00 0.50 0.00 0.00 46.19 44.25 2kyi s LEU 51 CO -0.03 -0.70 0.87 -0.44 -1.32 0.00 0.00 176.35 174.72 2kyi s SER 52 N 2.26 6.24 -0.37 3.68 0.01 0.12 -1.04 113.70 124.60 2kyi s SER 52 Ca 0.12 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.38 2kyi s SER 52 Cb -0.19 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kyi s SER 52 CO 0.12 -1.23 0.69 -0.63 0.41 0.00 0.00 173.24 172.60 2kyi s ILE 53 N 3.63 4.82 0.01 1.44 1.01 -0.45 -0.55 121.20 131.11 2kyi s ILE 53 Ca 0.23 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.56 2kyi s ILE 53 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2kyi s ILE 53 CO 0.13 -0.39 -0.04 -0.54 0.00 0.00 0.00 174.94 174.11 2kyi s LYS 54 N 2.87 2.63 0.00 2.79 1.02 0.21 -1.35 119.74 127.92 2kyi s LYS 54 Ca 0.27 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2kyi s LYS 54 Cb -0.14 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2kyi s LYS 54 CO 0.16 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 2kyi n GLY 55 N 1.40 -0.30 3.05 -3.33 0.00 -0.38 -0.02 105.19 105.61 2kyi n GLY 55 Ca -0.15 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2kyi n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kyi s GLU 56 N -2.00 0.48 -1.17 1.61 2.02 -0.27 -4.29 118.70 115.08 2kyi s GLU 56 Ca 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.17 2kyi s GLU 56 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2kyi s GLU 56 CO 0.00 -0.09 0.98 1.17 0.02 0.00 0.00 175.26 177.33 2kyi n LYS 57 N 0.95 -6.49 -1.95 1.61 0.00 -0.97 -1.07 118.16 110.24 2kyi n LYS 57 Ca -0.20 0.82 -0.42 0.00 0.00 0.00 0.00 58.31 58.51 2kyi n LYS 57 Cb 0.58 -5.74 0.00 0.00 0.00 0.00 0.00 35.03 29.86 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kyi n LEU 58 N -4.08 6.45 -4.55 3.14 4.32 -0.37 -3.41 117.00 118.49 2kyi n LEU 58 Ca -0.25 -4.13 -0.38 0.00 -0.02 0.00 0.00 56.01 51.22 2kyi n LEU 58 Cb 0.65 -1.67 -0.03 0.00 -1.62 0.00 0.00 43.42 40.75 2kyi n LEU 58 CO 0.59 0.93 1.38 -0.83 -1.22 0.00 0.00 177.39 178.24 2kyi s GLY 59 N 3.26 0.65 0.32 -0.72 0.00 -0.45 -4.79 107.32 105.59 2kyi s GLY 59 Ca 0.48 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 2kyi s GLY 59 CO -0.05 3.01 1.27 -1.50 0.00 0.00 0.00 173.10 175.83 2kyi s ILE 60 N 7.23 2.86 -0.51 0.90 1.10 -1.26 -1.17 121.20 130.35 2kyi s ILE 60 Ca 0.52 0.87 -0.21 0.00 -0.51 0.00 0.00 60.65 61.31 2kyi s ILE 60 Cb -0.08 -3.55 0.05 0.00 0.15 0.00 0.00 42.46 39.03 2kyi s ILE 60 CO 0.09 0.21 0.74 -0.54 -2.11 0.00 0.00 174.94 173.33 2kyi s LYS 61 N -1.73 3.23 0.05 3.50 1.02 0.64 -4.67 119.74 121.78 2kyi s LYS 61 Ca 0.48 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.90 2kyi s LYS 61 Cb -0.38 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 2kyi s LYS 61 CO 0.51 -1.28 0.00 0.72 -0.92 0.00 0.00 175.35 174.38 2kyi n HIS 62 N 6.65 -1.26 -0.17 3.18 8.25 -1.26 -4.61 115.22 126.00 2kyi n HIS 62 Ca -0.03 0.76 -0.04 0.00 -0.26 0.00 0.00 57.72 58.15 2kyi n HIS 62 Cb 0.47 -2.43 0.15 0.00 1.12 0.00 0.00 29.99 29.29 2kyi n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2kyi h LEU 63 N 1.09 0.87 -9.59 2.41 3.38 -2.00 -3.40 115.31 108.07 2kyi h LEU 63 Ca 0.00 -0.16 -0.60 0.00 0.09 0.00 0.00 57.88 57.21 2kyi h LEU 63 Cb 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2kyi h LEU 63 CO 0.00 0.84 -0.18 -1.81 0.09 0.00 0.00 178.44 177.38 2kyi s ASP 64 N -6.54 6.79 -0.05 -0.43 1.11 -1.26 -5.02 116.67 111.27 2kyi s ASP 64 Ca -0.10 0.94 -0.35 0.00 0.18 0.00 0.00 52.55 53.21 2kyi s ASP 64 Cb 0.15 -2.26 -0.13 0.00 1.07 0.00 0.00 42.92 41.75 2kyi s ASP 64 CO 0.82 0.24 1.74 0.00 1.18 0.00 0.00 175.17 179.15 2kyi n LEU 65 N 2.29 3.05 0.40 1.23 -0.00 -1.26 -4.89 117.00 117.82 2kyi n LEU 65 Ca -0.12 1.03 -0.16 0.00 -0.00 0.00 0.00 56.01 56.76 2kyi n LEU 65 Cb 0.52 -1.33 -0.07 0.00 -0.00 0.00 0.00 43.42 42.53 2kyi n LEU 65 CO 0.39 -0.25 0.50 0.50 -0.00 0.00 0.00 177.39 178.53 2kyi h LYS 66 N 7.74 -0.98 -0.60 1.47 3.64 -1.86 -3.44 116.57 122.54 2kyi h LYS 66 Ca -0.47 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 2kyi h LYS 66 Cb 1.28 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.16 2kyi h LYS 66 CO 0.92 -0.66 -0.30 0.00 -2.27 0.00 0.00 179.45 177.15 2kyi s ALA 67 N -5.21 -3.35 0.00 5.00 0.00 -1.26 -4.97 121.76 111.97 2kyi s ALA 67 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2kyi s ALA 67 Cb 0.01 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2kyi s ALA 67 CO 0.45 -2.37 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2kyi n GLY 68 N 3.31 0.64 3.75 0.00 0.00 -1.26 -4.89 105.19 106.74 2kyi n GLY 68 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2kyi n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kyi s GLN 69 N 0.00 4.38 -0.18 1.61 -0.21 -1.26 -0.91 119.66 123.09 2kyi s GLN 69 Ca 0.00 0.83 -0.02 0.00 0.02 0.00 0.00 55.36 56.20 2kyi s GLN 69 Cb 0.00 -3.36 -0.00 0.00 1.00 0.00 0.00 33.01 30.65 2kyi s GLN 69 CO 0.00 0.32 -0.11 0.08 -2.12 0.00 0.00 175.29 173.46 2kyi s VAL 70 N -0.06 2.95 -0.12 1.09 1.01 0.47 -4.02 120.40 121.71 2kyi s VAL 70 Ca 0.33 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2kyi s VAL 70 Cb -0.19 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2kyi s VAL 70 CO 0.19 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.94 2kyi s GLU 71 N 1.10 3.07 0.01 2.72 2.02 -1.26 -1.42 118.70 124.94 2kyi s GLU 71 Ca 0.01 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.16 2kyi s GLU 71 Cb -0.14 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 2kyi s GLU 71 CO -0.03 0.08 -0.06 0.54 0.02 0.00 0.00 175.26 175.81 2kyi s VAL 72 N 0.59 0.44 -0.03 2.63 0.11 -0.00 -0.26 120.40 123.89 2kyi s VAL 72 Ca -0.12 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 2kyi s VAL 72 Cb -0.17 -0.42 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kyi s VAL 72 CO 0.03 -0.03 -0.14 -1.83 -3.33 0.00 0.00 175.10 169.80 2kyi s GLU 73 N -0.55 1.36 0.00 1.54 -1.05 -0.32 -0.30 118.70 119.38 2kyi s GLU 73 Ca -0.02 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2kyi s GLU 73 Cb -0.04 -1.23 0.00 0.00 -0.44 0.00 0.00 34.13 32.41 2kyi s GLU 73 CO -0.00 0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.83 2kyi n GLY 74 N 3.11 -0.35 2.69 -3.83 0.00 -1.01 -1.34 105.19 104.46 2kyi n GLY 74 Ca -0.17 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2kyi n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kyi n LEU 75 N 0.00 7.21 -4.65 0.99 4.77 -0.23 -0.81 117.00 124.28 2kyi n LEU 75 Ca 0.00 -4.50 -0.43 0.00 -0.03 0.00 0.00 56.01 51.05 2kyi n LEU 75 Cb 0.00 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.54 2kyi n LEU 75 CO 0.00 1.49 1.13 0.27 -1.33 0.00 0.00 177.39 178.95 2kyi s ILE 76 N 1.20 4.18 -0.16 -0.08 -4.36 -1.26 -1.12 121.20 119.61 2kyi s ILE 76 Ca 0.48 1.41 -0.14 0.00 -0.26 0.00 0.00 60.65 62.13 2kyi s ILE 76 Cb 0.13 -3.98 -0.10 0.00 1.25 0.00 0.00 42.46 39.76 2kyi s ILE 76 CO -0.05 -0.21 0.06 -0.78 0.24 0.00 0.00 174.94 174.21 2kyi h ASP 77 N 8.63 0.00 -4.96 4.36 3.58 -0.80 -3.46 116.42 123.77 2kyi h ASP 77 Ca -0.27 -0.26 -0.16 0.00 0.42 0.00 0.00 57.03 56.76 2kyi h ASP 77 Cb 1.11 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.95 2kyi h ASP 77 CO 0.98 1.00 -0.58 0.00 -2.88 0.00 0.00 179.24 177.76 2kyi s ALA 78 N -2.54 -0.13 -0.18 -0.78 0.00 -0.83 -5.02 121.76 112.28 2kyi s ALA 78 Ca -0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2kyi s ALA 78 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kyi s ALA 78 CO 0.36 -0.18 -0.13 -0.51 0.00 0.00 0.00 175.76 175.30 2kyi s LEU 79 N -1.40 2.52 -0.31 0.00 1.43 -1.26 -0.62 118.68 119.05 2kyi s LEU 79 Ca -0.15 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 2kyi s LEU 79 Cb -0.09 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.56 2kyi s LEU 79 CO 0.00 0.03 0.08 -0.69 0.23 0.00 0.00 176.35 176.01 2kyi s VAL 80 N 1.14 3.89 -0.39 -1.59 1.01 0.29 -4.94 120.40 119.80 2kyi s VAL 80 Ca 0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2kyi s VAL 80 Cb -0.14 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.28 2kyi s VAL 80 CO -0.05 0.01 0.15 -0.47 0.00 0.00 0.00 175.10 174.75 2kyi s TYR 81 N 1.47 3.64 0.47 5.22 6.14 -1.26 -0.71 117.35 132.32 2kyi s TYR 81 Ca 0.01 -2.66 -0.16 0.00 0.64 0.00 0.00 57.07 54.90 2kyi s TYR 81 Cb -0.18 -3.11 -0.08 0.00 0.42 0.00 0.00 41.96 39.01 2kyi s TYR 81 CO 0.02 -0.96 0.93 -2.14 0.64 0.00 0.00 175.55 174.05 2kyi s PRO 82 N 0.99 3.97 -0.12 4.97 0.02 -1.26 -5.07 135.00 138.51 2kyi s PRO 82 Ca 0.10 0.89 -0.09 0.00 0.02 0.00 0.00 61.00 61.92 2kyi s PRO 82 Cb -0.21 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 2kyi s PRO 82 CO -0.06 -0.16 0.18 -0.51 -0.33 0.00 0.00 177.00 176.12 2kyi s LEU 83 N -3.81 4.37 0.03 -5.54 1.43 -1.26 -4.73 118.68 109.17 2kyi s LEU 83 Ca 0.58 0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 2kyi s LEU 83 Cb -0.10 -2.15 -0.16 0.00 0.03 0.00 0.00 46.19 43.82 2kyi s LEU 83 CO 0.27 0.36 1.29 -0.08 0.23 0.00 0.00 176.35 178.42 2kyi h GLU 84 N 5.22 0.40 -5.84 1.70 4.81 -1.89 -3.39 114.58 115.59 2kyi h GLU 84 Ca -0.52 -0.26 -0.56 0.00 -0.13 0.00 0.00 59.36 57.89 2kyi h GLU 84 Cb 1.22 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 2kyi h GLU 84 CO 0.61 0.85 1.70 -1.58 -0.73 0.00 0.00 179.01 179.87 2kyi s HIS 85 N -4.03 2.49 0.22 0.92 2.46 -1.26 -3.48 115.29 112.61 2kyi s HIS 85 Ca -0.14 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 54.53 2kyi s HIS 85 Cb 0.05 -4.55 0.00 0.00 -0.13 0.00 0.00 32.58 27.95 2kyi s HIS 85 CO 0.77 -1.73 0.00 1.58 -2.47 0.00 0.00 174.74 172.90 2kyi n HIS 86 N 10.08 -3.48 0.00 3.88 -0.00 -1.26 -5.05 115.22 119.39 2kyi n HIS 86 Ca 0.43 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 2kyi n HIS 86 Cb 0.47 2.14 0.00 0.00 -0.00 0.00 0.00 29.99 32.60 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kyi n HIS 87 N -3.18 0.00 -2.01 1.57 -0.00 -1.23 -5.11 115.22 105.27 2kyi n HIS 87 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2kyi n HIS 87 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2kyi n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kyi s HIS 88 N 0.00 1.90 -0.36 1.57 5.65 -1.26 -4.96 115.29 117.83 2kyi s HIS 88 Ca 0.00 0.46 -0.24 0.00 0.25 0.00 0.00 55.06 55.53 2kyi s HIS 88 Cb 0.00 -4.02 0.01 0.00 -1.18 0.00 0.00 32.58 27.39 2kyi s HIS 88 CO 0.00 -3.30 0.81 -1.01 -0.65 0.00 0.00 174.74 170.59 2kyi s HIS 89 N 5.63 3.11 0.00 3.88 0.09 -1.26 -4.23 115.29 122.51 2kyi s HIS 89 Ca 0.77 0.61 0.00 0.00 -0.00 0.00 0.00 55.06 56.44 2kyi s HIS 89 Cb -0.27 -3.44 0.00 0.00 -0.00 0.00 0.00 32.58 28.87 2kyi s HIS 89 CO 0.31 -0.75 0.00 0.72 -0.00 0.00 0.00 174.74 175.03