#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 0.32 -0.01 7.83 8.00 -1.26 -4.87 116.55 126.55 2kyi n ASP 21 Ca 0.00 -0.37 -0.00 0.00 0.71 0.00 0.00 54.79 55.12 2kyi n ASP 21 Cb 0.00 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.11 -4.47 -4.83 -2.24 5.15 -1.26 -4.99 115.26 101.52 2kyi n ASN 22 Ca 0.13 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.75 2kyi n ASN 22 Cb 0.27 -1.98 -0.06 0.00 -0.53 0.00 0.00 39.78 37.49 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 -1.01 4.06 0.18 1.20 0.52 -1.26 -4.59 118.95 118.04 2kyi s ARG 23 Ca 0.00 0.59 0.09 0.00 -0.52 0.00 0.00 55.73 55.89 2kyi s ARG 23 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2kyi s ARG 23 CO 0.00 0.53 -0.18 -0.65 0.02 0.00 0.00 175.30 175.01 2kyi s GLN 24 N -1.69 1.33 -0.27 3.54 -0.21 -0.51 -4.94 119.66 116.91 2kyi s GLN 24 Ca 0.35 -1.47 -0.05 0.00 0.02 0.00 0.00 55.36 54.21 2kyi s GLN 24 Cb -0.16 -1.38 0.01 0.00 1.00 0.00 0.00 33.01 32.47 2kyi s GLN 24 CO 0.19 0.28 0.04 -0.06 -2.12 0.00 0.00 175.29 173.61 2kyi s PHE 25 N -2.17 3.11 -0.35 0.91 0.40 -1.26 -2.56 117.98 116.06 2kyi s PHE 25 Ca 0.18 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 2kyi s PHE 25 Cb -0.05 -2.20 0.07 0.00 0.51 0.00 0.00 43.02 41.34 2kyi s PHE 25 CO 0.08 -0.59 0.11 -1.17 0.70 0.00 0.00 175.22 174.35 2kyi s LEU 26 N 1.47 4.49 -0.33 -0.37 2.96 0.88 -4.98 118.68 122.80 2kyi s LEU 26 Ca 0.03 -1.45 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 2kyi s LEU 26 Cb -0.17 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.72 2kyi s LEU 26 CO 0.01 -0.38 0.15 -0.44 -1.32 0.00 0.00 176.35 174.37 2kyi s SER 27 N 1.53 5.53 0.05 3.68 0.01 -1.26 -0.36 113.70 122.88 2kyi s SER 27 Ca 0.00 -0.71 0.06 0.00 1.31 0.00 0.00 55.95 56.61 2kyi s SER 27 Cb -0.21 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2kyi s SER 27 CO -0.00 -0.25 -0.12 -0.22 0.41 0.00 0.00 173.24 173.05 2kyi s LEU 28 N 1.57 2.91 -0.18 2.44 2.96 0.48 -4.97 118.68 123.89 2kyi s LEU 28 Ca 0.03 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2kyi s LEU 28 Cb -0.18 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.86 2kyi s LEU 28 CO 0.06 0.24 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.43 2kyi s THR 29 N -1.05 0.79 0.00 3.68 2.01 -1.26 -0.28 115.64 119.53 2kyi s THR 29 Ca 0.18 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2kyi s THR 29 Cb -0.11 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2kyi s THR 29 CO 0.09 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2kyi n GLY 30 N 4.97 0.46 3.72 4.40 0.00 0.10 -4.94 105.19 113.90 2kyi n GLY 30 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 2.14 -0.15 1.61 1.01 -0.76 -3.47 120.40 120.78 2kyi s VAL 31 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2kyi s VAL 31 Cb 0.00 -3.05 -0.23 0.00 0.00 0.00 0.00 36.38 33.10 2kyi s VAL 31 CO 0.00 0.01 0.24 -1.20 0.00 0.00 0.00 175.10 174.14 2kyi n SER 32 N 4.13 1.44 -3.54 3.32 7.64 0.65 -4.28 113.62 122.98 2kyi n SER 32 Ca 0.16 0.14 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 2kyi n SER 32 Cb 0.36 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.55 0.87 -0.19 1.43 2.20 -0.96 -5.04 119.74 115.51 2kyi s LYS 33 Ca -0.19 0.13 -0.13 0.00 -0.36 0.00 0.00 55.97 55.42 2kyi s LYS 33 Cb 0.07 0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 2kyi s LYS 33 CO 0.75 -0.29 0.27 0.14 -0.36 0.00 0.00 175.35 175.86 2kyi s VAL 34 N -1.44 5.31 -0.24 4.02 -7.23 -1.26 -0.54 120.40 119.02 2kyi s VAL 34 Ca -0.06 0.47 0.21 0.00 -1.81 0.00 0.00 61.98 60.79 2kyi s VAL 34 Cb -0.00 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.37 2kyi s VAL 34 CO 0.04 0.35 1.13 1.56 -0.31 0.00 0.00 175.10 177.87 2kyi h GLN 35 N 7.00 0.00 -1.65 4.82 4.20 -1.30 -3.46 115.11 124.72 2kyi h GLN 35 Ca -0.39 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.42 2kyi h GLN 35 Cb 1.16 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.72 2kyi h GLN 35 CO 0.73 0.09 0.06 0.45 -0.67 0.00 0.00 178.83 179.48 2kyi s SER 36 N -5.66 -0.88 -0.42 1.46 0.15 -1.24 -4.95 113.70 102.17 2kyi s SER 36 Ca 0.01 1.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.83 2kyi s SER 36 Cb 0.08 1.86 0.09 0.00 -1.71 0.00 0.00 66.02 66.35 2kyi s SER 36 CO 0.77 -0.18 0.24 0.12 1.20 0.00 0.00 173.24 175.39 2kyi s PHE 37 N 2.41 3.41 -0.01 3.44 5.36 -1.26 -1.18 117.98 130.16 2kyi s PHE 37 Ca -0.06 -1.86 0.02 0.00 -0.96 0.00 0.00 56.93 54.08 2kyi s PHE 37 Cb -0.08 -3.07 -0.00 0.00 -0.34 0.00 0.00 43.02 39.52 2kyi s PHE 37 CO -0.18 -0.91 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.09 2kyi s ASP 38 N 2.09 0.88 0.00 6.13 1.01 -1.05 -5.01 116.67 120.73 2kyi s ASP 38 Ca 0.04 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2kyi s ASP 38 Cb -0.23 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.55 2kyi s ASP 38 CO -0.00 0.07 0.33 -2.65 0.21 0.00 0.00 175.17 173.13 2kyi n PRO 39 N 3.05 0.38 0.00 8.23 -0.02 -1.26 -1.42 135.00 143.97 2kyi n PRO 39 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2kyi n PRO 39 Cb 0.56 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 2kyi n PRO 39 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kyi n LYS 40 N -0.32 2.06 -3.32 -0.52 4.81 -1.26 -0.83 118.16 118.78 2kyi n LYS 40 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2kyi n LYS 40 Cb 0.02 -0.98 -0.02 0.00 0.02 0.00 0.00 35.03 34.07 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2kyi s GLU 41 N -1.93 0.44 -0.19 1.64 2.12 -0.51 -0.47 118.70 119.80 2kyi s GLU 41 Ca 0.00 0.94 -0.03 0.00 0.36 0.00 0.00 54.97 56.23 2kyi s GLU 41 Cb 0.00 0.54 -0.01 0.00 0.26 0.00 0.00 34.13 34.92 2kyi s GLU 41 CO 0.00 -0.33 -0.05 0.42 -0.54 0.00 0.00 175.26 174.76 2kyi s ILE 42 N 2.80 3.50 -0.47 -3.70 1.01 0.16 -2.51 121.20 121.99 2kyi s ILE 42 Ca 0.05 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.07 2kyi s ILE 42 Cb -0.12 -2.56 0.06 0.00 0.01 0.00 0.00 42.46 39.85 2kyi s ILE 42 CO -0.18 0.45 0.45 -0.76 0.00 0.00 0.00 174.94 174.90 2kyi s LEU 43 N 1.06 5.36 -0.43 2.97 1.43 -0.32 -0.69 118.68 128.06 2kyi s LEU 43 Ca 0.01 -1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 2kyi s LEU 43 Cb -0.15 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2kyi s LEU 43 CO 0.00 -0.69 0.42 -0.76 0.23 0.00 0.00 176.35 175.54 2kyi s LEU 44 N 1.94 5.00 -0.66 1.79 1.43 0.49 -0.72 118.68 127.96 2kyi s LEU 44 Ca 0.08 -0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 52.11 2kyi s LEU 44 Cb -0.22 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 43.72 2kyi s LEU 44 CO 0.09 -0.58 1.16 -0.70 0.23 0.00 0.00 176.35 176.55 2kyi s GLU 45 N 2.02 3.28 0.09 1.70 2.12 0.30 0.20 118.70 128.42 2kyi s GLU 45 Ca 0.10 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.31 2kyi s GLU 45 Cb -0.18 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 2kyi s GLU 45 CO 0.12 -1.88 -0.21 -0.08 -0.54 0.00 0.00 175.26 172.67 2kyi s THR 46 N 5.03 1.69 0.00 -1.70 -1.32 0.12 -0.25 115.64 119.21 2kyi s THR 46 Ca 0.35 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 2kyi s THR 46 Cb -0.10 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 2kyi s THR 46 CO 0.18 -0.02 0.00 -0.38 -2.21 0.00 0.00 174.62 172.19 2kyi n ILE 47 N 1.22 0.00 -1.43 5.08 2.08 -1.23 -0.20 119.36 124.89 2kyi n ILE 47 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2kyi n ILE 47 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kyi n GLN 48 N 0.00 0.00 -2.19 0.38 10.64 -1.26 -5.03 117.38 119.91 2kyi n GLN 48 Ca 0.00 -0.52 -0.02 0.00 -1.83 0.00 0.00 57.00 54.63 2kyi n GLN 48 Cb 0.00 -0.40 -0.01 0.00 -0.86 0.00 0.00 30.24 28.97 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kyi n GLY 49 N 0.00 3.80 3.01 2.61 0.00 0.72 -5.16 105.19 110.17 2kyi n GLY 49 Ca 0.00 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.19 1.23 -0.27 1.61 1.01 -1.26 -0.70 120.40 119.83 2kyi s VAL 50 Ca 0.04 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2kyi s VAL 50 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2kyi s VAL 50 CO 0.03 0.38 0.17 -0.22 0.00 0.00 0.00 175.10 175.46 2kyi s LEU 51 N 0.95 3.94 -0.40 3.92 2.96 0.13 -4.04 118.68 126.14 2kyi s LEU 51 Ca -0.09 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.64 2kyi s LEU 51 Cb -0.15 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.46 2kyi s LEU 51 CO 0.00 -0.04 0.31 -0.44 -1.32 0.00 0.00 176.35 174.86 2kyi s SER 52 N 1.71 6.11 -0.34 3.68 0.01 0.12 -0.38 113.70 124.62 2kyi s SER 52 Ca 0.07 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 2kyi s SER 52 Cb -0.16 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2kyi s SER 52 CO 0.10 -0.42 0.46 -0.63 0.41 0.00 0.00 173.24 173.15 2kyi s ILE 53 N 1.76 5.08 -0.08 1.44 -1.09 0.14 -0.65 121.20 127.80 2kyi s ILE 53 Ca 0.06 0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.81 2kyi s ILE 53 Cb -0.18 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 2kyi s ILE 53 CO 0.11 -0.13 -0.15 -0.75 -1.23 0.00 0.00 174.94 172.79 2kyi s LYS 54 N 2.25 2.81 0.00 2.79 2.20 -0.58 -0.67 119.74 128.54 2kyi s LYS 54 Ca 0.16 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2kyi s LYS 54 Cb -0.16 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2kyi s LYS 54 CO 0.12 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 2kyi n GLY 55 N 2.77 -0.61 3.09 5.54 0.00 0.38 -0.05 105.19 116.31 2kyi n GLY 55 Ca -0.18 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.39 0.60 -1.74 1.61 2.02 0.78 -4.11 118.70 116.47 2kyi s GLU 56 Ca 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 2kyi s GLU 56 Cb 0.00 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.86 2kyi s GLU 56 CO 0.00 0.06 0.02 1.63 0.02 0.00 0.00 175.26 176.99 2kyi n LYS 57 N 1.30 -1.80 -1.81 1.61 5.02 -0.01 -0.75 118.16 121.72 2kyi n LYS 57 Ca -0.22 0.99 -0.40 0.00 -2.02 0.00 0.00 58.31 56.66 2kyi n LYS 57 Cb 0.55 -5.66 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 2kyi n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kyi n LEU 58 N -3.03 5.09 -4.97 -0.35 7.94 -0.09 -4.23 117.00 117.35 2kyi n LEU 58 Ca -0.24 -3.60 -0.21 0.00 -1.11 0.00 0.00 56.01 50.86 2kyi n LEU 58 Cb 0.68 -1.54 -0.02 0.00 0.53 0.00 0.00 43.42 43.08 2kyi n LEU 58 CO 0.29 0.04 -0.02 -0.83 -1.11 0.00 0.00 177.39 175.76 2kyi s GLY 59 N 4.43 1.30 0.22 -3.96 0.00 -0.81 -4.07 107.32 104.43 2kyi s GLY 59 Ca 0.55 -1.28 -0.22 0.00 0.00 0.00 0.00 44.72 43.77 2kyi s GLY 59 CO 0.04 -1.27 0.77 -0.42 0.00 0.00 0.00 173.10 172.22 2kyi s ILE 60 N -2.03 4.45 0.00 0.90 -1.09 -1.26 -0.64 121.20 121.54 2kyi s ILE 60 Ca 0.37 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 2kyi s ILE 60 Cb -0.09 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 2kyi s ILE 60 CO 0.30 0.29 0.66 1.17 -1.23 0.00 0.00 174.94 176.13 2kyi n LYS 61 N 0.96 0.00 0.00 2.79 4.81 0.27 -4.85 118.16 122.13 2kyi n LYS 61 Ca -0.03 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2kyi n LYS 61 Cb 0.50 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2kyi n LYS 61 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2kyi n HIS 62 N -1.15 0.00 -3.71 5.64 -0.00 -1.26 -5.09 115.22 109.65 2kyi n HIS 62 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2kyi n HIS 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 2kyi n HIS 62 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2kyi s LEU 63 N 0.00 0.09 0.46 0.27 1.43 -1.26 -5.12 118.68 114.55 2kyi s LEU 63 Ca 0.00 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2kyi s LEU 63 Cb 0.00 1.56 -0.03 0.00 0.03 0.00 0.00 46.19 47.75 2kyi s LEU 63 CO 0.00 -0.17 0.74 1.51 0.23 0.00 0.00 176.35 178.66 2kyi s ASP 64 N 0.62 6.23 -0.52 2.29 -4.77 -1.26 -4.87 116.67 114.39 2kyi s ASP 64 Ca -0.03 0.81 -0.24 0.00 -3.30 0.00 0.00 52.55 49.79 2kyi s ASP 64 Cb -0.05 -2.17 0.04 0.00 -1.09 0.00 0.00 42.92 39.65 2kyi s ASP 64 CO -0.04 -0.55 0.92 -0.22 0.70 0.00 0.00 175.17 175.98 2kyi s LEU 65 N -4.67 4.11 0.00 2.11 0.20 -1.26 -4.67 118.68 114.50 2kyi s LEU 65 Ca 0.46 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 55.03 2kyi s LEU 65 Cb -0.10 -2.91 0.00 0.00 -0.43 0.00 0.00 46.19 42.75 2kyi s LEU 65 CO 0.43 -1.16 0.00 2.29 -0.29 0.00 0.00 176.35 177.62 2kyi n LYS 66 N 7.31 0.04 -0.00 1.98 2.85 -1.26 -4.85 118.16 124.23 2kyi n LYS 66 Ca 0.02 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.37 2kyi n LYS 66 Cb 0.48 -0.51 -0.11 0.00 -0.65 0.00 0.00 35.03 34.23 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kyi n ALA 67 N -0.78 3.41 0.00 0.58 0.00 -1.26 -4.97 120.51 117.48 2kyi n ALA 67 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2kyi n ALA 67 Cb 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2kyi n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kyi n GLY 68 N 1.46 0.79 3.80 0.00 0.00 -1.26 -4.79 105.19 105.19 2kyi n GLY 68 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.46 4.27 -0.13 1.61 -0.21 -1.26 0.01 119.66 123.50 2kyi s GLN 69 Ca 0.00 0.82 -0.07 0.00 0.02 0.00 0.00 55.36 56.13 2kyi s GLN 69 Cb 0.00 -3.21 0.05 0.00 1.00 0.00 0.00 33.01 30.85 2kyi s GLN 69 CO 0.00 0.61 0.30 0.54 -2.12 0.00 0.00 175.29 174.62 2kyi s VAL 70 N -1.16 -0.03 -0.24 1.09 0.11 0.61 -4.59 120.40 116.20 2kyi s VAL 70 Ca 0.32 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 2kyi s VAL 70 Cb -0.20 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2kyi s VAL 70 CO 0.21 0.04 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.31 2kyi s GLU 71 N 1.09 2.80 -0.10 1.54 2.02 -1.26 -0.39 118.70 124.40 2kyi s GLU 71 Ca -0.08 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 53.93 2kyi s GLU 71 Cb -0.08 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2kyi s GLU 71 CO -0.08 -0.38 -0.10 0.08 0.02 0.00 0.00 175.26 174.80 2kyi s VAL 72 N 1.29 3.36 -0.02 2.63 1.01 0.51 -0.57 120.40 128.61 2kyi s VAL 72 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2kyi s VAL 72 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2kyi s VAL 72 CO -0.06 0.56 -0.12 -1.83 0.00 0.00 0.00 175.10 173.64 2kyi s GLU 73 N -0.23 1.09 0.00 2.72 -1.05 0.19 -0.08 118.70 121.34 2kyi s GLU 73 Ca 0.02 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2kyi s GLU 73 Cb -0.13 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.53 2kyi s GLU 73 CO 0.03 0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.88 2kyi n GLY 74 N 2.93 -0.42 3.43 -3.83 0.00 -1.06 -1.92 105.19 104.32 2kyi n GLY 74 Ca -0.15 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 2kyi n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kyi s LEU 75 N 0.00 5.40 -0.26 0.99 1.43 0.07 -1.43 118.68 124.88 2kyi s LEU 75 Ca 0.00 -2.28 -0.29 0.00 -1.03 0.00 0.00 54.13 50.53 2kyi s LEU 75 Cb 0.00 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2kyi s LEU 75 CO 0.00 -0.93 1.13 0.27 0.23 0.00 0.00 176.35 177.05 2kyi s ILE 76 N 2.04 4.47 -0.03 -0.59 -4.36 -1.26 -0.16 121.20 121.31 2kyi s ILE 76 Ca 0.31 1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 62.33 2kyi s ILE 76 Cb -0.06 -4.28 -0.31 0.00 1.25 0.00 0.00 42.46 39.07 2kyi s ILE 76 CO -0.09 -0.33 0.73 -0.78 0.24 0.00 0.00 174.94 174.72 2kyi h ASP 77 N 8.08 0.61 -4.80 4.36 3.58 -0.81 -3.48 116.42 123.97 2kyi h ASP 77 Ca -0.22 -0.87 0.02 0.00 0.42 0.00 0.00 57.03 56.38 2kyi h ASP 77 Cb 1.07 -0.20 -0.16 0.00 1.72 0.00 0.00 39.33 41.77 2kyi h ASP 77 CO 1.01 1.73 0.33 0.00 -2.88 0.00 0.00 179.24 179.42 2kyi s ALA 78 N -2.59 -1.74 -0.20 -0.78 0.00 -0.83 -5.01 121.76 110.62 2kyi s ALA 78 Ca -0.14 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 2kyi s ALA 78 Cb 0.05 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2kyi s ALA 78 CO 0.87 -0.61 -0.12 -0.51 0.00 0.00 0.00 175.76 175.38 2kyi s LEU 79 N -2.17 2.52 -0.12 0.00 1.43 -1.26 -1.53 118.68 117.54 2kyi s LEU 79 Ca -0.01 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2kyi s LEU 79 Cb -0.01 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2kyi s LEU 79 CO -0.06 -0.00 -0.17 -0.69 0.23 0.00 0.00 176.35 175.66 2kyi s VAL 80 N 1.34 2.63 -0.32 -1.59 1.01 0.18 -5.00 120.40 118.64 2kyi s VAL 80 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2kyi s VAL 80 Cb -0.14 -2.08 0.08 0.00 0.00 0.00 0.00 36.38 34.25 2kyi s VAL 80 CO -0.07 0.54 0.03 -0.47 0.00 0.00 0.00 175.10 175.12 2kyi s TYR 81 N 0.42 3.55 -1.13 5.22 6.14 -1.26 0.11 117.35 130.40 2kyi s TYR 81 Ca -0.13 -2.59 -0.24 0.00 0.64 0.00 0.00 57.07 54.75 2kyi s TYR 81 Cb -0.17 -2.61 -0.14 0.00 0.42 0.00 0.00 41.96 39.46 2kyi s TYR 81 CO 0.06 -0.92 2.02 -1.25 0.64 0.00 0.00 175.55 176.10 2kyi s PRO 82 N 1.04 1.93 -0.35 4.97 0.04 -1.26 -4.61 135.00 136.75 2kyi s PRO 82 Ca 0.03 -0.80 0.10 0.00 0.04 0.00 0.00 61.00 60.37 2kyi s PRO 82 Cb -0.20 -5.12 0.45 0.00 0.04 0.00 0.00 34.50 29.67 2kyi s PRO 82 CO -0.06 -4.61 1.11 1.28 0.04 0.00 0.00 177.00 174.77 2kyi n LEU 83 N 16.67 3.88 -4.67 -3.56 4.77 -1.26 -4.92 117.00 127.91 2kyi n LEU 83 Ca 0.43 -4.56 -0.42 0.00 -0.03 0.00 0.00 56.01 51.43 2kyi n LEU 83 Cb 0.47 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2kyi n LEU 83 CO 0.64 1.94 1.51 -1.61 -1.33 0.00 0.00 177.39 178.53 2kyi s GLU 84 N -3.53 4.16 0.04 3.23 2.02 -1.26 -4.91 118.70 118.44 2kyi s GLU 84 Ca 0.43 2.49 -0.27 0.00 0.02 0.00 0.00 54.97 57.64 2kyi s GLU 84 Cb 0.40 -4.00 -0.15 0.00 0.10 0.00 0.00 34.13 30.49 2kyi s GLU 84 CO -0.06 -0.90 1.32 1.25 0.02 0.00 0.00 175.26 176.89 2kyi h HIS 85 N 9.89 -0.90 0.00 1.61 -0.00 -1.97 -3.49 115.15 120.29 2kyi h HIS 85 Ca -0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2kyi h HIS 85 Cb 1.22 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.93 2kyi h HIS 85 CO 0.90 -0.56 0.00 0.72 -0.00 0.00 0.00 177.93 178.99 2kyi n HIS 86 N -4.79 0.00 0.29 5.26 -0.00 -1.26 -5.01 115.22 109.72 2kyi n HIS 86 Ca -0.12 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.73 2kyi n HIS 86 Cb 0.38 0.00 0.59 0.00 -0.00 0.00 0.00 29.99 30.97 2kyi n HIS 86 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kyi h HIS 87 N 0.00 0.00 -3.41 4.41 2.07 -2.01 -3.39 115.15 112.82 2kyi h HIS 87 Ca 0.00 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.85 2kyi h HIS 87 Cb 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 29.64 2kyi h HIS 87 CO 0.00 0.00 -0.79 -3.38 -3.07 0.00 0.00 177.93 170.69 2kyi s HIS 88 N -3.49 2.99 -1.21 6.12 -3.43 -1.26 -4.88 115.29 110.14 2kyi s HIS 88 Ca 0.01 -1.68 0.21 0.00 -0.80 0.00 0.00 55.06 52.80 2kyi s HIS 88 Cb 0.08 -1.99 -0.18 0.00 -1.43 0.00 0.00 32.58 29.06 2kyi s HIS 88 CO 0.33 -0.77 0.93 1.58 -2.00 0.00 0.00 174.74 174.82 2kyi n HIS 89 N 4.62 0.00 -0.83 0.38 -0.00 -1.26 -4.98 115.22 113.14 2kyi n HIS 89 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2kyi n HIS 89 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2kyi n HIS 89 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95