#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi h ASP 21 N 0.00 0.37 -3.75 6.12 3.32 -2.07 -3.47 116.42 116.94 2kyi h ASP 21 Ca 0.00 -0.89 -0.45 0.00 0.02 0.00 0.00 57.03 55.72 2kyi h ASP 21 Cb 0.00 -0.12 0.17 0.00 0.22 0.00 0.00 39.33 39.60 2kyi h ASP 21 CO 0.00 1.47 0.16 0.20 -1.72 0.00 0.00 179.24 179.35 2kyi s ASN 22 N -6.94 2.25 -0.16 6.45 -0.87 -1.26 -4.66 114.94 109.75 2kyi s ASN 22 Ca -0.18 1.24 -0.04 0.00 -1.57 0.00 0.00 52.86 52.31 2kyi s ASN 22 Cb 0.02 -1.93 0.02 0.00 -0.02 0.00 0.00 41.25 39.34 2kyi s ASN 22 CO 0.78 -3.37 0.08 0.54 -2.57 0.00 0.00 177.10 172.56 2kyi n ARG 23 N -4.34 -2.61 -4.11 -0.60 1.74 -1.25 -5.02 116.66 100.48 2kyi n ARG 23 Ca 0.05 2.19 -0.24 0.00 -0.77 0.00 0.00 57.85 59.08 2kyi n ARG 23 Cb 0.57 -3.71 -0.05 0.00 -1.02 0.00 0.00 32.46 28.25 2kyi n ARG 23 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2kyi s GLN 24 N -0.91 2.89 -0.38 5.56 -0.21 0.04 -4.75 119.66 121.89 2kyi s GLN 24 Ca -0.09 -0.99 -0.15 0.00 0.02 0.00 0.00 55.36 54.14 2kyi s GLN 24 Cb 0.01 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2kyi s GLN 24 CO 0.51 0.43 0.36 -0.06 -2.12 0.00 0.00 175.29 174.41 2kyi s PHE 25 N -1.98 3.21 -0.36 0.91 0.08 -1.26 -2.43 117.98 116.15 2kyi s PHE 25 Ca 0.32 -0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.01 2kyi s PHE 25 Cb -0.09 -2.70 0.04 0.00 -0.57 0.00 0.00 43.02 39.70 2kyi s PHE 25 CO 0.24 -0.54 0.15 -1.17 -0.10 0.00 0.00 175.22 173.80 2kyi s LEU 26 N 1.95 4.54 -0.11 -0.37 2.96 0.67 -4.97 118.68 123.35 2kyi s LEU 26 Ca 0.10 -1.14 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 2kyi s LEU 26 Cb -0.17 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2kyi s LEU 26 CO 0.12 -0.37 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.16 2kyi s SER 27 N 1.52 3.62 -0.01 3.68 0.01 -1.26 -0.53 113.70 120.72 2kyi s SER 27 Ca -0.00 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 2kyi s SER 27 Cb -0.20 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.63 2kyi s SER 27 CO 0.04 0.18 0.03 -0.22 0.41 0.00 0.00 173.24 173.69 2kyi s LEU 28 N 0.22 1.69 0.05 2.44 2.96 -0.32 -5.02 118.68 120.70 2kyi s LEU 28 Ca -0.11 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2kyi s LEU 28 Cb -0.16 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 2kyi s LEU 28 CO 0.06 -0.04 0.06 0.42 -1.32 0.00 0.00 176.35 175.53 2kyi s THR 29 N 0.27 4.48 0.00 3.68 -4.23 -1.26 -1.11 115.64 117.47 2kyi s THR 29 Ca -0.02 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2kyi s THR 29 Cb -0.03 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2kyi s THR 29 CO -0.01 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2kyi n GLY 30 N 0.80 0.70 3.72 3.99 0.00 0.10 -4.99 105.19 109.50 2kyi n GLY 30 Ca -0.11 0.00 -0.42 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 -2.00 2.08 -0.17 1.61 1.01 -1.12 -3.98 120.40 117.83 2kyi s VAL 31 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2kyi s VAL 31 Cb 0.00 -3.02 -0.22 0.00 0.00 0.00 0.00 36.38 33.14 2kyi s VAL 31 CO 0.00 0.00 0.22 -1.20 0.00 0.00 0.00 175.10 174.12 2kyi n SER 32 N 4.14 2.02 -3.73 3.32 7.64 0.14 -4.31 113.62 122.83 2kyi n SER 32 Ca 0.16 0.26 -0.04 0.00 1.01 0.00 0.00 58.87 60.26 2kyi n SER 32 Cb 0.35 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 2kyi n SER 32 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kyi s LYS 33 N -2.49 1.25 -0.19 1.43 -2.85 -0.93 -4.99 119.74 110.97 2kyi s LYS 33 Ca -0.27 -0.70 -0.08 0.00 -1.00 0.00 0.00 55.97 53.92 2kyi s LYS 33 Cb 0.07 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2kyi s LYS 33 CO 0.68 -0.57 0.08 0.08 0.10 0.00 0.00 175.35 175.72 2kyi s VAL 34 N -3.25 4.94 -0.13 1.79 1.01 -1.26 -0.29 120.40 123.21 2kyi s VAL 34 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2kyi s VAL 34 Cb -0.02 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 2kyi s VAL 34 CO 0.03 0.44 0.04 1.56 0.00 0.00 0.00 175.10 177.17 2kyi h GLN 35 N 6.81 0.00 -5.11 2.72 4.20 -1.50 -3.47 115.11 118.77 2kyi h GLN 35 Ca -0.38 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.75 2kyi h GLN 35 Cb 1.16 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.62 2kyi h GLN 35 CO 0.71 0.21 -0.84 -1.12 -0.67 0.00 0.00 178.83 177.12 2kyi s SER 36 N -5.83 2.33 -0.28 1.46 0.01 -1.24 -4.99 113.70 105.16 2kyi s SER 36 Ca -0.11 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2kyi s SER 36 Cb 0.01 -0.90 0.08 0.00 0.21 0.00 0.00 66.02 65.42 2kyi s SER 36 CO 0.22 0.12 -0.01 0.12 0.41 0.00 0.00 173.24 174.10 2kyi s PHE 37 N 0.31 2.92 -0.00 2.43 5.36 -1.26 -0.63 117.98 127.11 2kyi s PHE 37 Ca -0.11 -2.28 0.03 0.00 -0.96 0.00 0.00 56.93 53.61 2kyi s PHE 37 Cb -0.15 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2kyi s PHE 37 CO 0.05 -0.87 -0.10 0.34 -1.46 0.00 0.00 175.22 173.18 2kyi s ASP 38 N 1.21 1.13 0.00 6.13 -1.08 -0.08 -5.01 116.67 118.97 2kyi s ASP 38 Ca 0.01 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2kyi s ASP 38 Cb -0.19 -0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.16 2kyi s ASP 38 CO -0.09 0.10 0.82 -0.81 0.52 0.00 0.00 175.17 175.70 2kyi n PRO 39 N 2.73 0.00 0.00 4.34 -0.04 -1.26 -0.60 135.00 140.16 2kyi n PRO 39 Ca -0.14 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kyi n PRO 39 Cb 0.57 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2kyi n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kyi n LYS 40 N -1.32 -0.68 -3.15 0.54 5.02 -1.26 -0.74 118.16 116.57 2kyi n LYS 40 Ca 0.00 -0.41 0.04 0.00 -2.02 0.00 0.00 58.31 55.92 2kyi n LYS 40 Cb 0.01 -0.89 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.02 0.51 -0.09 1.97 2.12 0.23 -1.95 118.70 121.46 2kyi s GLU 41 Ca 0.00 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.09 2kyi s GLU 41 Cb 0.00 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 2kyi s GLU 41 CO 0.00 -0.74 -0.21 0.42 -0.54 0.00 0.00 175.26 174.19 2kyi s ILE 42 N 2.86 2.41 -0.40 -3.70 1.01 0.38 -0.90 121.20 122.86 2kyi s ILE 42 Ca 0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 2kyi s ILE 42 Cb -0.12 -1.94 0.08 0.00 0.01 0.00 0.00 42.46 40.49 2kyi s ILE 42 CO -0.22 0.56 0.20 -0.76 0.00 0.00 0.00 174.94 174.71 2kyi s LEU 43 N 0.10 4.96 -0.26 2.97 1.43 0.19 -0.28 118.68 127.79 2kyi s LEU 43 Ca -0.10 -1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 51.25 2kyi s LEU 43 Cb -0.16 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2kyi s LEU 43 CO 0.06 -0.49 0.49 -0.76 0.23 0.00 0.00 176.35 175.88 2kyi s LEU 44 N 1.33 4.05 -0.35 1.79 1.43 0.05 -1.12 118.68 125.85 2kyi s LEU 44 Ca 0.03 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 2kyi s LEU 44 Cb -0.22 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2kyi s LEU 44 CO 0.00 -0.27 0.63 -0.70 0.23 0.00 0.00 176.35 176.25 2kyi s GLU 45 N 2.26 3.71 0.00 1.70 2.12 0.60 0.25 118.70 129.35 2kyi s GLU 45 Ca 0.20 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2kyi s GLU 45 Cb -0.16 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.44 2kyi s GLU 45 CO 0.09 -0.71 0.00 -2.37 -0.54 0.00 0.00 175.26 171.73 2kyi n THR 46 N 5.55 0.00 -1.56 -1.70 5.66 0.44 0.24 114.28 122.92 2kyi n THR 46 Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 2kyi n THR 46 Cb 0.49 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 2kyi n THR 46 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2kyi n ILE 47 N 0.00 0.12 -1.49 1.09 -5.35 -1.26 -2.56 119.36 109.90 2kyi n ILE 47 Ca 0.00 -0.58 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 2kyi n ILE 47 Cb 0.00 -2.50 -0.07 0.00 -1.74 0.00 0.00 39.64 35.33 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 8.81 -1.37 -3.49 6.28 6.02 -1.26 -4.92 117.38 127.45 2kyi n GLN 48 Ca 0.36 1.09 -0.13 0.00 -0.01 0.00 0.00 57.00 58.31 2kyi n GLN 48 Cb 0.45 -5.40 -0.04 0.00 1.02 0.00 0.00 30.24 26.28 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2kyi s GLY 49 N -2.72 -0.53 -0.13 1.08 0.00 -1.06 -4.76 107.32 99.19 2kyi s GLY 49 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.33 2kyi s GLY 49 CO 0.00 0.26 -0.21 0.14 0.00 0.00 0.00 173.10 173.30 2kyi s VAL 50 N -3.08 1.95 -0.43 1.40 1.01 -1.26 -0.42 120.40 119.58 2kyi s VAL 50 Ca -0.02 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2kyi s VAL 50 Cb -0.00 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2kyi s VAL 50 CO -0.07 0.53 0.46 -0.22 0.00 0.00 0.00 175.10 175.80 2kyi s LEU 51 N 0.83 4.86 -0.58 3.92 2.96 0.14 -3.97 118.68 126.84 2kyi s LEU 51 Ca -0.07 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 52.94 2kyi s LEU 51 Cb -0.15 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.18 2kyi s LEU 51 CO -0.01 -0.61 0.86 -0.55 -1.32 0.00 0.00 176.35 174.72 2kyi s SER 52 N 1.86 6.25 -0.32 3.68 0.15 0.13 -0.77 113.70 124.67 2kyi s SER 52 Ca 0.13 -0.76 -0.16 0.00 0.70 0.00 0.00 55.95 55.86 2kyi s SER 52 Cb -0.17 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2kyi s SER 52 CO 0.14 -1.21 0.42 -0.63 1.20 0.00 0.00 173.24 173.16 2kyi s ILE 53 N 3.60 5.11 0.03 6.45 1.01 0.61 -0.74 121.20 137.27 2kyi s ILE 53 Ca 0.23 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.27 2kyi s ILE 53 Cb -0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 2kyi s ILE 53 CO 0.14 -0.06 -0.18 -0.54 0.00 0.00 0.00 174.94 174.30 2kyi s LYS 54 N 2.18 1.29 0.00 2.79 1.02 -0.59 -0.47 119.74 125.94 2kyi s LYS 54 Ca 0.15 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2kyi s LYS 54 Cb -0.16 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.82 2kyi s LYS 54 CO 0.12 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2kyi n GLY 55 N 2.11 -0.59 3.00 -3.33 0.00 -0.82 -0.83 105.19 104.72 2kyi n GLY 55 Ca -0.17 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.24 1.04 -1.05 1.61 0.41 0.14 -4.50 118.70 115.12 2kyi s GLU 56 Ca 0.00 -0.31 -0.10 0.00 -0.41 0.00 0.00 54.97 54.15 2kyi s GLU 56 Cb 0.00 -0.96 -0.05 0.00 -1.78 0.00 0.00 34.13 31.34 2kyi s GLU 56 CO 0.00 0.10 0.86 1.63 -0.49 0.00 0.00 175.26 177.36 2kyi n LYS 57 N 3.39 -1.85 -1.88 1.61 4.76 -1.10 -0.51 118.16 122.59 2kyi n LYS 57 Ca -0.19 0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 55.61 2kyi n LYS 57 Cb 0.54 -5.25 -0.00 0.00 -1.84 0.00 0.00 35.03 28.47 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kyi n LEU 58 N -3.41 6.35 -4.56 -0.35 4.32 0.08 -3.89 117.00 115.55 2kyi n LEU 58 Ca -0.07 -4.04 -0.41 0.00 -0.02 0.00 0.00 56.01 51.46 2kyi n LEU 58 Cb 0.60 -1.66 -0.03 0.00 -1.62 0.00 0.00 43.42 40.72 2kyi n LEU 58 CO 0.61 0.84 1.25 -0.83 -1.22 0.00 0.00 177.39 178.04 2kyi s GLY 59 N 3.50 0.83 -0.22 -0.72 0.00 0.10 -4.83 107.32 105.99 2kyi s GLY 59 Ca 0.49 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 44.19 2kyi s GLY 59 CO -0.05 2.79 0.13 -1.50 0.00 0.00 0.00 173.10 174.47 2kyi s ILE 60 N 6.18 5.24 -0.12 0.90 2.07 -1.26 -1.41 121.20 132.80 2kyi s ILE 60 Ca 0.47 0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.94 2kyi s ILE 60 Cb -0.10 -3.41 -0.24 0.00 0.13 0.00 0.00 42.46 38.84 2kyi s ILE 60 CO 0.21 0.39 0.37 1.17 -1.91 0.00 0.00 174.94 175.17 2kyi n LYS 61 N 3.94 0.67 -2.57 3.50 0.00 -1.24 -4.68 118.16 117.79 2kyi n LYS 61 Ca -0.16 0.20 -0.42 0.00 0.00 0.00 0.00 58.31 57.94 2kyi n LYS 61 Cb 0.52 -1.68 -0.02 0.00 0.00 0.00 0.00 35.03 33.85 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2kyi s HIS 62 N -2.56 2.60 -0.51 5.64 3.76 -1.26 -4.67 115.29 118.29 2kyi s HIS 62 Ca -0.13 -1.05 0.22 0.00 -0.15 0.00 0.00 55.06 53.96 2kyi s HIS 62 Cb 0.07 -4.71 -0.07 0.00 1.11 0.00 0.00 32.58 28.98 2kyi s HIS 62 CO 0.79 -1.90 0.90 1.28 -0.85 0.00 0.00 174.74 174.96 2kyi n LEU 63 N 8.73 0.55 -4.56 0.89 4.77 -1.26 -4.72 117.00 121.40 2kyi n LEU 63 Ca 0.37 -0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.93 2kyi n LEU 63 Cb 0.50 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2kyi n LEU 63 CO 0.69 0.04 1.47 -1.81 -1.33 0.00 0.00 177.39 176.45 2kyi s ASP 64 N -4.03 6.11 -0.64 -1.43 1.11 -1.26 -4.94 116.67 111.59 2kyi s ASP 64 Ca 0.02 -1.30 -0.23 0.00 0.18 0.00 0.00 52.55 51.22 2kyi s ASP 64 Cb 0.14 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.63 2kyi s ASP 64 CO 0.83 -1.87 0.94 -0.22 1.18 0.00 0.00 175.17 176.04 2kyi s LEU 65 N 6.48 4.39 0.00 1.23 2.96 -1.26 -4.62 118.68 127.86 2kyi s LEU 65 Ca 0.54 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2kyi s LEU 65 Cb -0.02 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.20 2kyi s LEU 65 CO -0.06 -1.38 0.00 2.29 -1.32 0.00 0.00 176.35 175.88 2kyi n LYS 66 N 7.58 0.00 -0.05 1.98 2.85 -1.26 -4.88 118.16 124.38 2kyi n LYS 66 Ca -0.03 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.12 2kyi n LYS 66 Cb 0.46 -0.46 -0.15 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 -0.95 1.44 0.00 0.58 0.00 -1.26 -5.02 120.51 115.29 2kyi n ALA 67 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2kyi n ALA 67 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.70 0.57 2.78 0.00 0.00 -1.26 -4.86 105.19 104.13 2kyi n GLY 68 Ca -0.25 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2kyi n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kyi s GLN 69 N 0.47 -0.02 -0.09 1.61 0.74 -1.26 0.02 119.66 121.13 2kyi s GLN 69 Ca 0.00 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 2kyi s GLN 69 Cb 0.00 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.75 2kyi s GLN 69 CO 0.00 -0.24 -0.02 0.08 -0.55 0.00 0.00 175.29 174.55 2kyi s VAL 70 N 1.66 4.11 -0.23 1.34 1.01 -0.27 -4.97 120.40 123.05 2kyi s VAL 70 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2kyi s VAL 70 Cb -0.12 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.61 2kyi s VAL 70 CO -0.04 0.59 0.07 -0.70 0.00 0.00 0.00 175.10 175.02 2kyi s GLU 71 N -0.71 0.52 -0.07 2.72 2.12 -1.26 -1.17 118.70 120.86 2kyi s GLU 71 Ca 0.11 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.94 2kyi s GLU 71 Cb -0.12 -1.91 -0.02 0.00 0.26 0.00 0.00 34.13 32.34 2kyi s GLU 71 CO 0.02 -0.77 -0.15 0.08 -0.54 0.00 0.00 175.26 173.91 2kyi s VAL 72 N 1.88 3.00 -0.13 3.70 1.01 0.31 -3.68 120.40 126.50 2kyi s VAL 72 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2kyi s VAL 72 Cb -0.17 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2kyi s VAL 72 CO -0.16 0.57 -0.21 -0.70 0.00 0.00 0.00 175.10 174.60 2kyi s GLU 73 N -0.40 2.91 0.00 2.72 2.12 -0.50 -0.24 118.70 125.31 2kyi s GLU 73 Ca 0.05 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.56 2kyi s GLU 73 Cb -0.12 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2kyi s GLU 73 CO 0.02 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2kyi n GLY 74 N 4.03 -1.04 3.44 -1.50 0.00 -1.02 -0.72 105.19 108.39 2kyi n GLY 74 Ca -0.20 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 4.69 -0.45 0.99 1.43 0.34 -0.78 118.68 124.89 2kyi s LEU 75 Ca 0.00 -1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 51.52 2kyi s LEU 75 Cb 0.00 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2kyi s LEU 75 CO 0.00 -1.30 0.87 0.27 0.23 0.00 0.00 176.35 176.42 2kyi s ILE 76 N 3.53 4.55 -0.06 -0.59 -4.36 -1.26 0.27 121.20 123.28 2kyi s ILE 76 Ca 0.24 0.65 -0.09 0.00 -0.26 0.00 0.00 60.65 61.19 2kyi s ILE 76 Cb -0.14 -4.38 -0.30 0.00 1.25 0.00 0.00 42.46 38.89 2kyi s ILE 76 CO 0.04 -0.77 0.63 0.44 0.24 0.00 0.00 174.94 175.53 2kyi h ASP 77 N 9.00 0.55 -5.11 4.36 5.19 -1.32 -3.48 116.42 125.60 2kyi h ASP 77 Ca -0.24 -0.88 -0.06 0.00 -0.62 0.00 0.00 57.03 55.23 2kyi h ASP 77 Cb 1.08 -0.18 -0.13 0.00 0.18 0.00 0.00 39.33 40.28 2kyi h ASP 77 CO 1.00 1.76 -0.13 0.00 -3.12 0.00 0.00 179.24 178.74 2kyi s ALA 78 N -2.58 -0.72 -0.06 3.45 0.00 -0.49 -5.00 121.76 116.36 2kyi s ALA 78 Ca -0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2kyi s ALA 78 Cb 0.06 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.92 2kyi s ALA 78 CO 0.84 -0.65 0.06 -0.51 0.00 0.00 0.00 175.76 175.50 2kyi s LEU 79 N -2.84 0.18 -0.20 0.00 1.43 -1.26 -1.55 118.68 114.44 2kyi s LEU 79 Ca 0.06 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2kyi s LEU 79 Cb 0.02 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2kyi s LEU 79 CO -0.09 -0.27 -0.11 -0.69 0.23 0.00 0.00 176.35 175.42 2kyi s VAL 80 N 2.16 2.84 -0.23 -1.59 1.01 0.08 -4.96 120.40 119.70 2kyi s VAL 80 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2kyi s VAL 80 Cb -0.13 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.07 2kyi s VAL 80 CO -0.04 0.47 0.04 -0.47 0.00 0.00 0.00 175.10 175.10 2kyi s TYR 81 N 1.34 1.46 -0.10 5.22 6.14 -1.26 0.22 117.35 130.37 2kyi s TYR 81 Ca 0.04 -1.26 -0.29 0.00 0.64 0.00 0.00 57.07 56.21 2kyi s TYR 81 Cb -0.14 -1.31 -0.06 0.00 0.42 0.00 0.00 41.96 40.87 2kyi s TYR 81 CO -0.07 -0.71 1.99 -2.14 0.64 0.00 0.00 175.55 175.26 2kyi s PRO 82 N 1.71 3.73 0.59 4.97 0.02 -1.25 -4.97 135.00 139.78 2kyi s PRO 82 Ca 0.01 2.23 -0.14 0.00 0.02 0.00 0.00 61.00 63.12 2kyi s PRO 82 Cb -0.17 -4.21 -0.05 0.00 0.02 0.00 0.00 34.50 30.09 2kyi s PRO 82 CO -0.12 -1.42 1.03 -0.48 -0.33 0.00 0.00 177.00 175.67 2kyi s LEU 83 N 5.94 3.42 -0.06 -5.54 -0.00 -1.26 -4.62 118.68 116.55 2kyi s LEU 83 Ca 0.89 1.60 0.02 0.00 -0.00 0.00 0.00 54.13 56.65 2kyi s LEU 83 Cb -0.36 -4.50 -0.06 0.00 -0.00 0.00 0.00 46.19 41.27 2kyi s LEU 83 CO 0.37 -0.93 -0.03 1.21 -0.00 0.00 0.00 176.35 176.97 2kyi n GLU 84 N -2.21 1.44 0.00 1.48 2.13 -1.26 -5.01 120.64 117.20 2kyi n GLU 84 Ca 0.07 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2kyi n GLU 84 Cb 0.54 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.10 2kyi n GLU 84 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kyi n HIS 85 N -2.49 0.00 0.00 4.31 -0.00 -1.26 -4.04 115.22 111.73 2kyi n HIS 85 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2kyi n HIS 85 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 2kyi n HIS 85 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kyi n HIS 86 N 0.00 0.00 -2.49 1.57 -0.00 -1.26 -5.15 115.22 107.88 2kyi n HIS 86 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 2kyi n HIS 86 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 2kyi n HIS 86 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kyi s HIS 87 N 0.00 3.61 0.88 1.57 -3.43 -1.26 -5.04 115.29 111.62 2kyi s HIS 87 Ca 0.00 1.70 -0.12 0.00 -0.80 0.00 0.00 55.06 55.83 2kyi s HIS 87 Cb 0.00 -3.27 0.12 0.00 -1.43 0.00 0.00 32.58 28.00 2kyi s HIS 87 CO 0.00 -0.50 1.15 -3.38 -2.00 0.00 0.00 174.74 170.01 2kyi s HIS 88 N -1.03 2.65 0.20 0.38 -3.43 -1.26 -4.88 115.29 107.91 2kyi s HIS 88 Ca 0.45 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 2kyi s HIS 88 Cb -0.31 -3.43 0.00 0.00 -1.43 0.00 0.00 32.58 27.40 2kyi s HIS 88 CO 0.40 -2.18 0.00 1.58 -2.00 0.00 0.00 174.74 172.54 2kyi n HIS 89 N -3.62 -2.78 0.47 0.38 -0.00 -1.26 -5.30 115.22 103.11 2kyi n HIS 89 Ca 0.07 1.50 0.06 0.00 -0.00 0.00 0.00 57.72 59.35 2kyi n HIS 89 Cb 0.60 -2.80 0.05 0.00 -0.00 0.00 0.00 29.99 27.83 2kyi n HIS 89 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06