#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 7.27 0.00 6.12 5.75 -1.26 -4.29 116.55 130.15 2kyi n ASP 21 Ca 0.00 -3.43 0.00 0.00 -0.01 0.00 0.00 54.79 51.35 2kyi n ASP 21 Cb 0.00 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 38.82 2kyi n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kyi n ASN 22 N 1.03 4.25 -4.64 -1.12 2.85 -1.26 -5.00 115.26 111.37 2kyi n ASN 22 Ca 0.49 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.53 2kyi n ASN 22 Cb 0.27 0.48 -0.02 0.00 1.24 0.00 0.00 39.78 41.75 2kyi n ASN 22 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2kyi s ARG 23 N -1.83 4.03 0.32 1.20 3.52 -1.26 -4.55 118.95 120.37 2kyi s ARG 23 Ca 0.00 1.67 0.07 0.00 -0.13 0.00 0.00 55.73 57.34 2kyi s ARG 23 Cb 0.00 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 2kyi s ARG 23 CO 0.00 -0.99 0.28 -0.65 -0.81 0.00 0.00 175.30 173.13 2kyi s GLN 24 N 4.09 2.79 -0.12 5.12 -0.21 0.63 -4.83 119.66 127.12 2kyi s GLN 24 Ca 0.63 -1.23 0.03 0.00 0.02 0.00 0.00 55.36 54.81 2kyi s GLN 24 Cb -0.24 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.27 2kyi s GLN 24 CO 0.23 0.16 -0.21 0.12 -2.12 0.00 0.00 175.29 173.48 2kyi s PHE 25 N -2.26 2.44 -0.16 0.91 5.36 -1.26 -0.96 117.98 122.05 2kyi s PHE 25 Ca 0.39 -1.13 -0.00 0.00 -0.96 0.00 0.00 56.93 55.23 2kyi s PHE 25 Cb -0.06 -1.67 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 2kyi s PHE 25 CO 0.26 -0.51 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.20 2kyi s LEU 26 N 0.69 2.54 -0.27 6.12 2.96 0.43 -5.00 118.68 126.14 2kyi s LEU 26 Ca -0.11 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2kyi s LEU 26 Cb -0.16 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.00 2kyi s LEU 26 CO 0.02 0.08 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.50 2kyi s SER 27 N 0.82 4.51 -0.19 3.68 0.15 -1.26 -1.39 113.70 120.02 2kyi s SER 27 Ca -0.05 -1.32 -0.04 0.00 0.70 0.00 0.00 55.95 55.24 2kyi s SER 27 Cb -0.15 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2kyi s SER 27 CO 0.00 -0.20 -0.04 -0.22 1.20 0.00 0.00 173.24 173.99 2kyi s LEU 28 N 1.15 3.06 -0.44 3.45 2.96 -0.59 -5.00 118.68 123.28 2kyi s LEU 28 Ca -0.07 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2kyi s LEU 28 Cb -0.20 -1.76 0.12 0.00 0.50 0.00 0.00 46.19 44.85 2kyi s LEU 28 CO -0.04 0.06 0.24 -0.89 -1.32 0.00 0.00 176.35 174.40 2kyi s THR 29 N 0.98 3.42 0.00 3.68 2.01 -1.26 -0.76 115.64 123.72 2kyi s THR 29 Ca 0.00 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 59.88 2kyi s THR 29 Cb -0.15 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2kyi s THR 29 CO 0.01 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 2kyi n GLY 30 N 4.51 0.00 3.73 4.40 0.00 0.98 -4.90 105.19 113.91 2kyi n GLY 30 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.38 -0.20 1.61 1.01 0.12 -4.42 120.40 122.89 2kyi s VAL 31 Ca 0.00 2.00 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 2kyi s VAL 31 Cb 0.00 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 2kyi s VAL 31 CO 0.00 0.32 0.13 -0.24 0.00 0.00 0.00 175.10 175.31 2kyi n SER 32 N 2.67 1.86 -4.01 3.32 2.88 0.13 -3.65 113.62 116.82 2kyi n SER 32 Ca 0.02 0.45 -0.10 0.00 -1.33 0.00 0.00 58.87 57.91 2kyi n SER 32 Cb 0.49 -0.95 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 2kyi n SER 32 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kyi s LYS 33 N -2.36 1.12 -0.27 -1.46 1.02 -1.06 -4.95 119.74 111.78 2kyi s LYS 33 Ca -0.27 -1.24 -0.08 0.00 0.02 0.00 0.00 55.97 54.39 2kyi s LYS 33 Cb 0.06 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.69 2kyi s LYS 33 CO 0.53 -0.39 0.10 0.14 -0.92 0.00 0.00 175.35 174.81 2kyi s VAL 34 N -3.99 4.46 -0.03 3.17 -7.23 -1.26 0.18 120.40 115.70 2kyi s VAL 34 Ca 0.19 -0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 2kyi s VAL 34 Cb 0.04 -3.14 -0.32 0.00 0.56 0.00 0.00 36.38 33.52 2kyi s VAL 34 CO 0.01 0.26 0.80 1.56 -0.31 0.00 0.00 175.10 177.42 2kyi h GLN 35 N 8.27 0.41 -3.23 4.82 4.20 -0.94 -3.48 115.11 125.16 2kyi h GLN 35 Ca -0.36 -0.70 -0.10 0.00 0.06 0.00 0.00 58.65 57.55 2kyi h GLN 35 Cb 1.17 0.26 -0.17 0.00 0.30 0.00 0.00 27.48 29.03 2kyi h GLN 35 CO 0.58 1.33 -0.24 0.45 -0.67 0.00 0.00 178.83 180.29 2kyi s SER 36 N -7.30 -0.15 -0.26 1.46 0.15 -1.22 -5.01 113.70 101.37 2kyi s SER 36 Ca -0.14 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.37 2kyi s SER 36 Cb 0.04 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.79 2kyi s SER 36 CO 0.87 -0.59 0.08 0.12 1.20 0.00 0.00 173.24 174.91 2kyi s PHE 37 N -2.34 1.25 0.07 3.44 2.19 -1.26 -1.65 117.98 119.69 2kyi s PHE 37 Ca -0.06 -1.27 0.09 0.00 0.33 0.00 0.00 56.93 56.02 2kyi s PHE 37 Cb -0.02 -1.32 -0.03 0.00 -1.31 0.00 0.00 43.02 40.34 2kyi s PHE 37 CO -0.02 -0.77 -0.24 -0.51 1.83 0.00 0.00 175.22 175.51 2kyi s ASP 38 N 1.78 2.92 0.13 6.13 1.11 0.65 -5.01 116.67 124.37 2kyi s ASP 38 Ca 0.05 -0.62 0.11 0.00 0.18 0.00 0.00 52.55 52.27 2kyi s ASP 38 Cb -0.17 -0.23 0.56 0.00 1.07 0.00 0.00 42.92 44.15 2kyi s ASP 38 CO -0.20 0.18 1.34 -2.65 1.18 0.00 0.00 175.17 175.02 2kyi n PRO 39 N 1.49 0.06 0.00 8.23 -0.02 -1.26 -1.41 135.00 142.09 2kyi n PRO 39 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2kyi n PRO 39 Cb 0.53 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.82 1.64 -3.15 -0.52 5.02 -1.26 -1.66 118.16 116.41 2kyi n LYS 40 Ca 0.00 -1.07 0.05 0.00 -2.02 0.00 0.00 58.31 55.27 2kyi n LYS 40 Cb 0.05 -0.87 -0.01 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.59 0.40 -0.23 1.97 2.12 -0.50 -2.50 118.70 119.38 2kyi s GLU 41 Ca 0.00 0.57 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 2kyi s GLU 41 Cb 0.00 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 2kyi s GLU 41 CO 0.00 -0.59 0.06 0.42 -0.54 0.00 0.00 175.26 174.62 2kyi s ILE 42 N 2.89 4.43 -0.49 -3.70 -1.09 -0.64 -0.25 121.20 122.35 2kyi s ILE 42 Ca 0.14 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.28 2kyi s ILE 42 Cb -0.10 -3.04 0.10 0.00 -1.58 0.00 0.00 42.46 37.83 2kyi s ILE 42 CO -0.21 0.38 0.40 -0.76 -1.23 0.00 0.00 174.94 173.53 2kyi s LEU 43 N 1.21 5.75 -0.21 2.97 1.43 -0.66 -1.13 118.68 128.04 2kyi s LEU 43 Ca 0.04 -1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 51.46 2kyi s LEU 43 Cb -0.14 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2kyi s LEU 43 CO 0.03 -0.71 0.13 -0.76 0.23 0.00 0.00 176.35 175.28 2kyi s LEU 44 N 1.56 4.11 -0.32 1.79 1.43 -0.59 -0.20 118.68 126.46 2kyi s LEU 44 Ca 0.04 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 2kyi s LEU 44 Cb -0.26 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2kyi s LEU 44 CO 0.04 0.13 0.69 -0.70 0.23 0.00 0.00 176.35 176.74 2kyi s GLU 45 N 0.65 3.86 0.00 1.70 2.12 0.13 0.02 118.70 127.17 2kyi s GLU 45 Ca 0.07 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2kyi s GLU 45 Cb -0.12 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.52 2kyi s GLU 45 CO 0.01 -0.66 0.00 -2.37 -0.54 0.00 0.00 175.26 171.70 2kyi n THR 46 N 5.51 0.00 -1.51 -1.70 5.66 0.14 0.17 114.28 122.55 2kyi n THR 46 Ca 0.01 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 2kyi n THR 46 Cb 0.49 -0.06 -0.20 0.00 -1.55 0.00 0.00 70.33 69.01 2kyi n THR 46 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2kyi n ILE 47 N -0.01 -0.00 -1.82 1.09 5.41 -1.26 -0.99 119.36 121.78 2kyi n ILE 47 Ca 0.00 -0.41 -0.10 0.00 1.00 0.00 0.00 62.75 63.24 2kyi n ILE 47 Cb 0.00 -0.29 -0.03 0.00 -0.71 0.00 0.00 39.64 38.61 2kyi n ILE 47 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2kyi n GLN 48 N 6.39 -1.73 -2.21 0.38 7.27 -1.26 -4.84 117.38 121.37 2kyi n GLN 48 Ca 0.66 0.56 -0.04 0.00 0.07 0.00 0.00 57.00 58.24 2kyi n GLN 48 Cb 0.15 -4.92 -0.00 0.00 2.41 0.00 0.00 30.24 27.87 2kyi n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kyi n GLY 49 N -0.44 2.36 3.03 1.69 0.00 -0.16 -5.11 105.19 106.56 2kyi n GLY 49 Ca -0.11 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.61 0.75 -0.20 1.61 1.01 -1.26 0.24 120.40 119.94 2kyi s VAL 50 Ca 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2kyi s VAL 50 Cb -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2kyi s VAL 50 CO 0.06 0.20 -0.04 -0.22 0.00 0.00 0.00 175.10 175.09 2kyi s LEU 51 N -0.27 3.01 -0.44 3.92 2.96 0.10 -4.02 118.68 123.95 2kyi s LEU 51 Ca 0.03 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 2kyi s LEU 51 Cb -0.04 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.95 2kyi s LEU 51 CO -0.00 0.04 0.35 -0.44 -1.32 0.00 0.00 176.35 174.99 2kyi s SER 52 N 1.10 6.13 -0.34 3.68 0.01 0.14 -1.55 113.70 122.88 2kyi s SER 52 Ca 0.01 -1.11 -0.21 0.00 1.31 0.00 0.00 55.95 55.95 2kyi s SER 52 Cb -0.15 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2kyi s SER 52 CO 0.00 -0.55 0.69 -0.63 0.41 0.00 0.00 173.24 173.15 2kyi s ILE 53 N 1.68 4.85 -0.05 1.44 1.01 -0.29 -0.29 121.20 129.56 2kyi s ILE 53 Ca 0.05 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.53 2kyi s ILE 53 Cb -0.22 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2kyi s ILE 53 CO 0.08 -0.28 -0.08 -0.54 0.00 0.00 0.00 174.94 174.12 2kyi s LYS 54 N 2.80 2.65 0.00 2.79 -0.14 0.16 -1.62 119.74 126.39 2kyi s LYS 54 Ca 0.27 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2kyi s LYS 54 Cb -0.14 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2kyi s LYS 54 CO 0.14 0.64 0.00 0.41 -0.76 0.00 0.00 175.35 175.78 2kyi n GLY 55 N 2.09 -0.53 3.10 -3.33 0.00 -1.04 -0.31 105.19 105.16 2kyi n GLY 55 Ca -0.17 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.67 0.75 -1.20 1.61 2.02 0.11 -4.26 118.70 116.06 2kyi s GLU 56 Ca 0.00 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 2kyi s GLU 56 Cb 0.00 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.53 2kyi s GLU 56 CO 0.00 0.17 1.00 1.63 0.02 0.00 0.00 175.26 178.08 2kyi n LYS 57 N 1.90 -6.65 -1.56 1.61 5.02 -0.67 -0.30 118.16 117.52 2kyi n LYS 57 Ca -0.19 0.85 -0.40 0.00 -2.02 0.00 0.00 58.31 56.55 2kyi n LYS 57 Cb 0.55 -5.86 -0.05 0.00 -0.02 0.00 0.00 35.03 29.66 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kyi n LEU 58 N -4.15 4.28 -4.70 -0.35 4.32 -0.76 -3.95 117.00 111.70 2kyi n LEU 58 Ca -0.28 -3.21 -0.42 0.00 -0.02 0.00 0.00 56.01 52.08 2kyi n LEU 58 Cb 0.67 -1.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.05 2kyi n LEU 58 CO 0.61 -0.48 0.71 -0.83 -1.22 0.00 0.00 177.39 176.18 2kyi s GLY 59 N 5.05 2.73 -0.46 -0.72 0.00 0.40 -4.81 107.32 109.50 2kyi s GLY 59 Ca 0.58 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.81 2kyi s GLY 59 CO 0.09 1.75 0.31 -1.50 0.00 0.00 0.00 173.10 173.76 2kyi s ILE 60 N 1.32 1.11 -0.56 0.90 2.07 -1.26 -0.90 121.20 123.87 2kyi s ILE 60 Ca 0.51 -2.76 -0.26 0.00 -1.41 0.00 0.00 60.65 56.73 2kyi s ILE 60 Cb -0.20 -1.77 0.04 0.00 0.13 0.00 0.00 42.46 40.66 2kyi s ILE 60 CO 0.25 -1.04 1.05 -0.54 -1.91 0.00 0.00 174.94 172.74 2kyi s LYS 61 N 0.05 3.42 -0.34 3.50 1.02 -1.26 -4.44 119.74 121.68 2kyi s LYS 61 Ca 0.24 -0.03 -0.10 0.00 0.02 0.00 0.00 55.97 56.10 2kyi s LYS 61 Cb -0.11 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.18 2kyi s LYS 61 CO -0.09 -1.56 0.30 0.72 -0.92 0.00 0.00 175.35 173.80 2kyi n HIS 62 N 7.86 -3.24 0.09 3.18 8.25 -1.26 -4.94 115.22 125.16 2kyi n HIS 62 Ca 0.05 1.37 0.00 0.00 -0.26 0.00 0.00 57.72 58.88 2kyi n HIS 62 Cb 0.48 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.11 2kyi n HIS 62 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2kyi n LEU 63 N 0.29 -1.60 0.00 2.41 0.00 -1.26 -5.17 117.00 111.67 2kyi n LEU 63 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 56.01 56.42 2kyi n LEU 63 Cb 0.31 1.75 0.00 0.00 0.00 0.00 0.00 43.42 45.48 2kyi n LEU 63 CO 0.42 -0.12 0.00 0.47 0.00 0.00 0.00 177.39 178.16 2kyi n ASP 64 N -2.84 -4.46 -4.51 1.96 9.92 -1.26 -3.71 116.55 111.65 2kyi n ASP 64 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 2kyi n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kyi n LEU 65 N 0.00 5.09 0.00 0.64 7.94 -1.26 -4.80 117.00 124.61 2kyi n LEU 65 Ca 0.00 -3.98 0.00 0.00 -1.11 0.00 0.00 56.01 50.92 2kyi n LEU 65 Cb 0.00 -1.73 0.00 0.00 0.53 0.00 0.00 43.42 42.22 2kyi n LEU 65 CO 0.00 0.27 0.25 1.17 -1.11 0.00 0.00 177.39 177.96 2kyi n LYS 66 N 8.00 0.00 -2.91 1.96 4.81 -1.24 -4.92 118.16 123.86 2kyi n LYS 66 Ca 0.48 0.33 0.01 0.00 -0.87 0.00 0.00 58.31 58.27 2kyi n LYS 66 Cb 0.45 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.37 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kyi s ALA 67 N -2.94 -3.78 0.00 3.14 0.00 -1.26 -4.98 121.76 111.94 2kyi s ALA 67 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2kyi s ALA 67 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2kyi s ALA 67 CO 0.00 -2.41 0.00 0.41 0.00 0.00 0.00 175.76 173.76 2kyi n GLY 68 N 3.91 1.59 3.65 0.00 0.00 -1.24 -4.90 105.19 108.20 2kyi n GLY 68 Ca 0.07 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 4.23 -0.16 1.61 -0.21 -1.26 0.10 119.66 123.97 2kyi s GLN 69 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.59 2kyi s GLN 69 Cb 0.00 -3.64 0.03 0.00 1.00 0.00 0.00 33.01 30.39 2kyi s GLN 69 CO 0.00 -0.60 -0.14 0.08 -2.12 0.00 0.00 175.29 172.51 2kyi s VAL 70 N 3.09 1.63 -0.13 1.09 1.01 0.06 -4.25 120.40 122.90 2kyi s VAL 70 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2kyi s VAL 70 Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2kyi s VAL 70 CO 0.07 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 173.85 2kyi s GLU 71 N 1.45 2.06 0.10 2.72 2.02 -1.26 -1.54 118.70 124.24 2kyi s GLU 71 Ca 0.04 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.63 2kyi s GLU 71 Cb -0.13 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 2kyi s GLU 71 CO -0.11 -0.23 -0.17 0.14 0.02 0.00 0.00 175.26 174.91 2kyi s VAL 72 N 1.52 1.45 -0.01 2.63 -7.23 -0.48 -4.76 120.40 113.51 2kyi s VAL 72 Ca 0.04 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 2kyi s VAL 72 Cb -0.13 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.41 2kyi s VAL 72 CO -0.09 -0.18 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.59 2kyi s GLU 73 N -2.00 0.84 0.00 4.82 4.04 -0.08 -0.43 118.70 125.89 2kyi s GLU 73 Ca 0.04 -0.34 0.00 0.00 0.04 0.00 0.00 54.97 54.72 2kyi s GLU 73 Cb -0.09 -0.81 0.00 0.00 0.02 0.00 0.00 34.13 33.25 2kyi s GLU 73 CO 0.04 0.18 0.00 0.41 -1.84 0.00 0.00 175.26 174.05 2kyi n GLY 74 N 2.97 -1.17 3.14 -3.83 0.00 -0.14 -0.46 105.19 105.71 2kyi n GLY 74 Ca -0.15 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 5.98 -4.67 0.99 4.77 0.59 -0.27 117.00 124.39 2kyi n LEU 75 Ca 0.00 -4.43 -0.43 0.00 -0.03 0.00 0.00 56.01 51.12 2kyi n LEU 75 Cb 0.00 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 39.48 2kyi n LEU 75 CO 0.00 0.97 0.96 0.27 -1.33 0.00 0.00 177.39 178.26 2kyi s ILE 76 N 1.61 4.43 -0.09 -0.08 -4.36 -1.26 0.05 121.20 121.50 2kyi s ILE 76 Ca 0.43 1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 62.45 2kyi s ILE 76 Cb 0.05 -4.11 -0.28 0.00 1.25 0.00 0.00 42.46 39.37 2kyi s ILE 76 CO 0.00 -0.08 0.50 0.44 0.24 0.00 0.00 174.94 176.05 2kyi h ASP 77 N 7.63 0.47 -5.01 4.36 3.32 -1.00 -3.47 116.42 122.73 2kyi h ASP 77 Ca -0.28 -0.92 -0.07 0.00 0.02 0.00 0.00 57.03 55.78 2kyi h ASP 77 Cb 1.12 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.34 2kyi h ASP 77 CO 0.92 1.79 0.05 0.00 -1.72 0.00 0.00 179.24 180.28 2kyi s ALA 78 N -2.55 -1.41 -0.25 3.45 0.00 -0.79 -5.01 121.76 115.21 2kyi s ALA 78 Ca -0.20 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 2kyi s ALA 78 Cb 0.06 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.41 2kyi s ALA 78 CO 0.79 -0.42 -0.07 -0.51 0.00 0.00 0.00 175.76 175.56 2kyi s LEU 79 N -1.59 3.27 -0.31 0.00 1.43 -1.26 -0.66 118.68 119.56 2kyi s LEU 79 Ca -0.09 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 51.96 2kyi s LEU 79 Cb -0.01 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2kyi s LEU 79 CO 0.03 -0.15 0.08 -0.69 0.23 0.00 0.00 176.35 175.85 2kyi s VAL 80 N 1.28 3.76 -0.28 -1.59 1.01 0.60 -4.97 120.40 120.21 2kyi s VAL 80 Ca -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2kyi s VAL 80 Cb -0.17 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2kyi s VAL 80 CO -0.05 -0.04 0.01 -0.47 0.00 0.00 0.00 175.10 174.56 2kyi s TYR 81 N 1.43 3.14 -0.69 5.22 6.14 -1.26 0.27 117.35 131.60 2kyi s TYR 81 Ca 0.00 -1.39 -0.28 0.00 0.64 0.00 0.00 57.07 56.03 2kyi s TYR 81 Cb -0.18 -2.15 -0.13 0.00 0.42 0.00 0.00 41.96 39.91 2kyi s TYR 81 CO 0.02 -0.69 2.53 -2.30 0.64 0.00 0.00 175.55 175.75 2kyi n PRO 82 N 4.74 0.62 -1.74 4.97 -0.02 -1.26 -4.84 135.00 137.48 2kyi n PRO 82 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 2kyi n PRO 82 Cb 0.46 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 2kyi n PRO 82 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2kyi s LEU 83 N 10.87 3.44 0.34 2.45 2.34 -1.26 -4.90 118.68 131.95 2kyi s LEU 83 Ca 1.14 1.46 0.00 0.00 0.06 0.00 0.00 54.13 56.79 2kyi s LEU 83 Cb -0.62 -3.26 -0.01 0.00 -0.56 0.00 0.00 46.19 41.74 2kyi s LEU 83 CO 0.36 -2.09 0.41 -0.70 -1.06 0.00 0.00 176.35 173.27 2kyi s GLU 84 N 6.56 1.85 -1.23 1.48 -6.30 -1.26 -4.91 118.70 114.89 2kyi s GLU 84 Ca 0.92 -1.82 -0.07 0.00 -2.50 0.00 0.00 54.97 51.49 2kyi s GLU 84 Cb -0.26 0.41 0.05 0.00 0.00 0.00 0.00 34.13 34.33 2kyi s GLU 84 CO 0.32 -0.74 0.40 -2.39 0.02 0.00 0.00 175.26 172.86 2kyi n HIS 85 N -0.57 -1.73 -4.54 5.30 1.44 -1.26 -4.95 115.22 108.90 2kyi n HIS 85 Ca 0.03 0.38 -0.25 0.00 -2.01 0.00 0.00 57.72 55.86 2kyi n HIS 85 Cb 0.62 -2.98 -0.11 0.00 0.12 0.00 0.00 29.99 27.65 2kyi n HIS 85 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kyi s HIS 86 N -2.87 2.33 0.00 -1.40 -3.43 -1.26 -5.01 115.29 103.65 2kyi s HIS 86 Ca 0.31 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 2kyi s HIS 86 Cb -0.16 -1.43 0.00 0.00 -1.43 0.00 0.00 32.58 29.56 2kyi s HIS 86 CO 0.38 0.47 0.00 1.58 -2.00 0.00 0.00 174.74 175.17 2kyi n HIS 87 N -0.80 0.00 0.19 0.38 -0.00 -1.26 -5.03 115.22 108.71 2kyi n HIS 87 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2kyi n HIS 87 Cb 0.65 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 2kyi n HIS 87 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kyi n HIS 88 N 0.00 -3.67 0.00 1.57 8.25 -1.26 -5.00 115.22 115.10 2kyi n HIS 88 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 2kyi n HIS 88 Cb 0.00 2.29 0.00 0.00 1.12 0.00 0.00 29.99 33.40 2kyi n HIS 88 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kyi n HIS 89 N -3.49 0.00 -0.90 4.41 -0.00 -1.26 -5.29 115.22 108.69 2kyi n HIS 89 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kyi n HIS 89 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kyi n HIS 89 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52