#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 0.18 0.00 6.12 3.58 -2.08 -3.47 116.42 120.75 2kyi h ASP 21 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kyi h ASP 21 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2kyi h ASP 21 CO 0.00 1.16 0.00 -3.20 -2.88 0.00 0.00 179.24 174.32 2kyi n ASN 22 N -3.39 0.00 -4.71 2.28 5.15 -1.26 -4.96 115.26 108.37 2kyi n ASN 22 Ca -0.06 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.50 2kyi n ASN 22 Cb 0.99 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.65 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 -0.08 4.51 0.04 1.20 0.52 -1.26 -4.38 118.95 119.50 2kyi s ARG 23 Ca 0.00 1.51 0.06 0.00 -0.52 0.00 0.00 55.73 56.78 2kyi s ARG 23 Cb 0.00 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 2kyi s ARG 23 CO 0.00 -0.13 -0.12 -0.65 0.02 0.00 0.00 175.30 174.42 2kyi s GLN 24 N 1.11 2.28 -0.30 3.54 -0.21 0.43 -4.84 119.66 121.67 2kyi s GLN 24 Ca 0.54 -0.88 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 2kyi s GLN 24 Cb -0.23 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.41 2kyi s GLN 24 CO 0.28 0.56 0.30 -0.06 -2.12 0.00 0.00 175.29 174.24 2kyi s PHE 25 N -1.01 3.23 -0.24 0.91 0.08 -1.26 -2.44 117.98 117.24 2kyi s PHE 25 Ca 0.17 0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 2kyi s PHE 25 Cb -0.11 -2.53 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 2kyi s PHE 25 CO 0.08 -0.27 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.70 2kyi s LEU 26 N 1.93 3.14 -0.08 -0.37 2.96 0.48 -4.99 118.68 121.75 2kyi s LEU 26 Ca 0.11 -0.76 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2kyi s LEU 26 Cb -0.16 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2kyi s LEU 26 CO 0.11 -0.11 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.85 2kyi s SER 27 N 1.36 3.10 -0.03 3.68 1.04 -1.26 -0.20 113.70 121.39 2kyi s SER 27 Ca 0.02 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.93 2kyi s SER 27 Cb -0.16 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.82 2kyi s SER 27 CO -0.04 0.20 -0.07 -0.22 0.98 0.00 0.00 173.24 174.09 2kyi s LEU 28 N 0.11 1.67 0.16 2.42 2.96 0.08 -4.99 118.68 121.08 2kyi s LEU 28 Ca -0.12 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2kyi s LEU 28 Cb -0.16 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 2kyi s LEU 28 CO 0.07 0.03 0.20 0.42 -1.32 0.00 0.00 176.35 175.74 2kyi s THR 29 N 0.38 4.86 0.00 3.68 -4.23 -1.26 -0.95 115.64 118.12 2kyi s THR 29 Ca -0.05 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2kyi s THR 29 Cb -0.10 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2kyi s THR 29 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 2kyi n GLY 30 N -0.43 1.10 3.49 3.99 0.00 0.10 -4.98 105.19 108.46 2kyi n GLY 30 Ca -0.08 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 4.67 0.03 1.61 1.01 0.11 -4.04 120.40 121.78 2kyi s VAL 31 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2kyi s VAL 31 Cb 0.00 -4.38 -0.33 0.00 0.00 0.00 0.00 36.38 31.67 2kyi s VAL 31 CO 0.00 -0.88 0.97 0.77 0.00 0.00 0.00 175.10 175.96 2kyi h SER 32 N 9.09 0.72 -4.99 3.32 4.64 -1.77 -3.39 113.55 121.18 2kyi h SER 32 Ca -0.26 -0.82 -0.13 0.00 -0.47 0.00 0.00 61.79 60.11 2kyi h SER 32 Cb 1.09 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 62.74 2kyi h SER 32 CO 1.00 1.65 -0.40 -0.75 -0.87 0.00 0.00 176.83 177.46 2kyi s LYS 33 N -2.61 0.57 -0.11 4.77 2.20 -0.94 -5.01 119.74 118.61 2kyi s LYS 33 Ca -0.09 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.11 2kyi s LYS 33 Cb 0.05 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 2kyi s LYS 33 CO 0.92 -0.15 0.17 0.54 -0.36 0.00 0.00 175.35 176.47 2kyi s VAL 34 N -1.42 5.45 -0.17 4.02 0.11 -1.26 0.30 120.40 127.43 2kyi s VAL 34 Ca -0.14 0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 2kyi s VAL 34 Cb -0.06 -3.44 -0.06 0.00 -1.53 0.00 0.00 36.38 31.29 2kyi s VAL 34 CO 0.02 0.61 -0.23 0.00 -3.33 0.00 0.00 175.10 172.17 2kyi n GLN 35 N 2.03 0.50 -3.83 1.54 1.13 0.78 -4.82 117.38 114.72 2kyi n GLN 35 Ca -0.19 0.40 -0.12 0.00 -1.94 0.00 0.00 57.00 55.14 2kyi n GLN 35 Cb 0.55 -1.59 -0.13 0.00 0.11 0.00 0.00 30.24 29.18 2kyi n GLN 35 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kyi s SER 36 N -5.96 -0.14 -0.29 1.08 0.15 -1.06 -5.00 113.70 102.49 2kyi s SER 36 Ca -0.22 0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.72 2kyi s SER 36 Cb 0.04 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 2kyi s SER 36 CO 0.34 -0.06 -0.02 0.12 1.20 0.00 0.00 173.24 174.82 2kyi s PHE 37 N 0.03 3.28 -0.02 3.44 5.36 -1.26 -1.18 117.98 127.62 2kyi s PHE 37 Ca -0.00 -2.50 0.02 0.00 -0.96 0.00 0.00 56.93 53.48 2kyi s PHE 37 Cb -0.01 -2.29 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 2kyi s PHE 37 CO 0.00 -0.90 -0.08 0.34 -1.46 0.00 0.00 175.22 173.13 2kyi s ASP 38 N 1.08 1.05 0.00 6.13 -1.08 -0.92 -5.02 116.67 117.91 2kyi s ASP 38 Ca 0.01 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 2kyi s ASP 38 Cb -0.19 -0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.02 2kyi s ASP 38 CO -0.08 0.06 0.21 -2.65 0.52 0.00 0.00 175.17 173.24 2kyi n PRO 39 N 3.21 0.25 0.00 4.34 -0.02 -1.26 -0.71 135.00 140.81 2kyi n PRO 39 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2kyi n PRO 39 Cb 0.55 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.24 3.24 -3.31 -0.52 4.81 -1.26 0.34 118.16 121.21 2kyi n LYS 40 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2kyi n LYS 40 Cb 0.02 -0.51 -0.05 0.00 0.02 0.00 0.00 35.03 34.51 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 -0.77 0.45 -0.19 1.64 2.12 0.12 -1.68 118.70 120.40 2kyi s GLU 41 Ca 0.00 0.84 -0.06 0.00 0.36 0.00 0.00 54.97 56.11 2kyi s GLU 41 Cb 0.00 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2kyi s GLU 41 CO 0.00 -0.57 0.04 0.42 -0.54 0.00 0.00 175.26 174.61 2kyi s ILE 42 N 2.71 4.46 -0.25 -3.70 -1.09 0.47 -2.16 121.20 121.63 2kyi s ILE 42 Ca 0.14 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 2kyi s ILE 42 Cb -0.15 -3.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.75 2kyi s ILE 42 CO -0.18 0.44 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.16 2kyi s LEU 43 N 0.61 3.28 -0.08 2.97 1.43 -0.32 -0.27 118.68 126.29 2kyi s LEU 43 Ca 0.02 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 2kyi s LEU 43 Cb -0.13 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2kyi s LEU 43 CO 0.02 -0.15 -0.16 -0.76 0.23 0.00 0.00 176.35 175.53 2kyi s LEU 44 N 1.30 2.61 -0.52 1.79 1.43 -0.76 -0.15 118.68 124.39 2kyi s LEU 44 Ca -0.01 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 2kyi s LEU 44 Cb -0.17 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2kyi s LEU 44 CO -0.04 0.26 0.70 -0.70 0.23 0.00 0.00 176.35 176.81 2kyi s GLU 45 N -0.24 3.17 0.03 1.70 -6.30 0.15 -0.41 118.70 116.79 2kyi s GLU 45 Ca 0.01 -0.76 0.00 0.00 -2.50 0.00 0.00 54.97 51.72 2kyi s GLU 45 Cb -0.13 -4.09 -0.00 0.00 0.00 0.00 0.00 34.13 29.91 2kyi s GLU 45 CO 0.03 -1.30 0.00 -2.37 0.02 0.00 0.00 175.26 171.65 2kyi n THR 46 N 5.75 0.00 0.03 -1.70 5.66 0.46 -2.22 114.28 122.26 2kyi n THR 46 Ca -0.05 -0.13 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 2kyi n THR 46 Cb 0.46 0.04 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 2kyi n THR 46 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2kyi h ILE 47 N 1.03 0.21 -0.01 1.09 2.04 -1.96 -2.23 117.51 117.68 2kyi h ILE 47 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kyi h ILE 47 Cb 0.07 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2kyi h ILE 47 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 178.01 2kyi n GLN 48 N -5.43 0.87 -0.17 2.37 1.13 -1.26 -5.02 117.38 109.88 2kyi n GLN 48 Ca -0.04 -0.44 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 2kyi n GLN 48 Cb 0.35 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 1.30 0.31 3.67 1.08 0.00 -0.84 -4.49 105.19 106.22 2kyi n GLY 49 Ca 0.14 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.88 5.33 -0.30 1.61 1.01 -1.26 -0.40 120.40 122.51 2kyi s VAL 50 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 2kyi s VAL 50 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2kyi s VAL 50 CO 0.00 0.33 0.42 -0.22 0.00 0.00 0.00 175.10 175.64 2kyi s LEU 51 N 1.03 4.16 -0.47 3.92 2.96 0.45 -4.49 118.68 126.25 2kyi s LEU 51 Ca 0.10 0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.03 2kyi s LEU 51 Cb -0.14 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.13 2kyi s LEU 51 CO 0.05 -0.29 0.43 -0.44 -1.32 0.00 0.00 176.35 174.78 2kyi s SER 52 N 1.67 6.16 -0.29 3.68 0.01 0.35 -1.82 113.70 123.45 2kyi s SER 52 Ca 0.16 -1.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.11 2kyi s SER 52 Cb -0.16 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2kyi s SER 52 CO 0.11 -0.67 0.40 -0.63 0.41 0.00 0.00 173.24 172.86 2kyi s ILE 53 N 1.87 5.14 -0.04 1.44 1.01 0.62 -0.51 121.20 130.74 2kyi s ILE 53 Ca 0.07 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.27 2kyi s ILE 53 Cb -0.22 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2kyi s ILE 53 CO 0.08 0.07 -0.19 -0.75 0.00 0.00 0.00 174.94 174.15 2kyi s LYS 54 N 2.13 2.37 0.00 2.79 2.20 -0.66 -0.39 119.74 128.17 2kyi s LYS 54 Ca 0.16 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2kyi s LYS 54 Cb -0.16 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 2kyi s LYS 54 CO 0.11 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 2kyi n GLY 55 N 2.40 -0.67 3.16 5.54 0.00 -0.67 0.24 105.19 115.19 2kyi n GLY 55 Ca -0.17 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 2kyi n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kyi s GLU 56 N -0.90 1.99 -1.03 1.61 2.56 0.10 -4.57 118.70 118.46 2kyi s GLU 56 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.97 54.21 2kyi s GLU 56 Cb 0.00 -1.70 -0.05 0.00 2.00 0.00 0.00 34.13 34.38 2kyi s GLU 56 CO 0.00 0.26 0.86 1.17 -0.56 0.00 0.00 175.26 176.99 2kyi n LYS 57 N 3.16 -1.88 -2.51 4.30 4.81 -0.78 -0.10 118.16 125.17 2kyi n LYS 57 Ca -0.18 0.84 -0.43 0.00 -0.87 0.00 0.00 58.31 57.67 2kyi n LYS 57 Cb 0.53 -5.35 0.00 0.00 0.02 0.00 0.00 35.03 30.23 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kyi n LEU 58 N -3.29 6.21 -4.90 3.14 4.32 0.15 -3.67 117.00 118.97 2kyi n LEU 58 Ca -0.07 -4.57 -0.31 0.00 -0.02 0.00 0.00 56.01 51.03 2kyi n LEU 58 Cb 0.60 -1.53 -0.05 0.00 -1.62 0.00 0.00 43.42 40.83 2kyi n LEU 58 CO 0.60 1.16 -0.02 -0.83 -1.22 0.00 0.00 177.39 177.09 2kyi s GLY 59 N 1.53 2.23 0.46 -0.72 0.00 -0.78 -4.31 107.32 105.72 2kyi s GLY 59 Ca 0.41 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 2kyi s GLY 59 CO 0.00 -0.56 0.92 -0.26 0.00 0.00 0.00 173.10 173.21 2kyi s ILE 60 N -1.60 4.54 0.18 0.90 -4.36 -1.26 -0.30 121.20 119.30 2kyi s ILE 60 Ca 0.39 1.19 0.03 0.00 -0.26 0.00 0.00 60.65 62.00 2kyi s ILE 60 Cb -0.12 -3.68 -0.12 0.00 1.25 0.00 0.00 42.46 39.79 2kyi s ILE 60 CO 0.25 -0.52 1.43 0.50 0.24 0.00 0.00 174.94 176.84 2kyi h LYS 61 N 1.36 0.20 0.00 0.37 1.63 -0.86 -3.45 116.57 115.81 2kyi h LYS 61 Ca -0.48 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 2kyi h LYS 61 Cb 1.18 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kyi h LYS 61 CO 0.62 0.90 0.00 -2.39 -3.45 0.00 0.00 179.45 175.13 2kyi n HIS 62 N -3.71 0.00 -2.29 1.91 1.44 -1.26 -5.04 115.22 106.27 2kyi n HIS 62 Ca -0.03 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.34 2kyi n HIS 62 Cb 0.76 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.83 2kyi n HIS 62 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2kyi s LEU 63 N 0.00 3.36 0.00 2.39 1.02 -1.26 -4.94 118.68 119.26 2kyi s LEU 63 Ca 0.00 -1.60 -0.02 0.00 0.02 0.00 0.00 54.13 52.53 2kyi s LEU 63 Cb 0.00 -2.58 0.14 0.00 0.02 0.00 0.00 46.19 43.77 2kyi s LEU 63 CO 0.00 -2.22 0.95 0.47 0.02 0.00 0.00 176.35 175.57 2kyi n ASP 64 N 11.73 1.11 0.00 2.29 8.00 -1.26 -4.32 116.55 134.09 2kyi n ASP 64 Ca 0.43 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.95 2kyi n ASP 64 Cb 0.47 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2kyi n ASP 64 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kyi n LEU 65 N 0.00 0.00 -4.75 0.64 -0.00 -0.70 -4.94 117.00 107.25 2kyi n LEU 65 Ca 0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.77 2kyi n LEU 65 Cb 0.54 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2kyi n LEU 65 CO 0.37 0.00 1.03 0.29 -0.00 0.00 0.00 177.39 179.08 2kyi n LYS 66 N 0.00 1.99 -0.67 1.96 4.76 -1.26 -1.81 118.16 123.13 2kyi n LYS 66 Ca 0.00 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2kyi n LYS 66 Cb 0.00 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kyi n ALA 67 N -0.62 0.00 -1.31 7.82 0.00 -1.26 -2.90 120.51 122.24 2kyi n ALA 67 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kyi n ALA 67 Cb 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.00 0.39 3.13 0.00 0.00 -0.75 -4.86 105.19 101.10 2kyi n GLY 68 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.62 1.58 -0.09 1.61 0.74 -1.14 0.01 119.66 119.74 2kyi s GLN 69 Ca 0.00 -0.59 -0.00 0.00 0.05 0.00 0.00 55.36 54.82 2kyi s GLN 69 Cb 0.00 -1.43 0.02 0.00 1.10 0.00 0.00 33.01 32.70 2kyi s GLN 69 CO 0.00 0.28 -0.06 0.08 -0.55 0.00 0.00 175.29 175.04 2kyi s VAL 70 N -0.10 0.85 -0.20 1.34 1.01 -0.12 -1.71 120.40 121.46 2kyi s VAL 70 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2kyi s VAL 70 Cb -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2kyi s VAL 70 CO 0.01 0.33 -0.04 -1.61 0.00 0.00 0.00 175.10 173.79 2kyi s GLU 71 N 1.59 3.45 0.04 2.72 2.02 -1.26 -0.74 118.70 126.52 2kyi s GLU 71 Ca 0.01 -0.60 0.09 0.00 0.02 0.00 0.00 54.97 54.49 2kyi s GLU 71 Cb -0.13 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 2kyi s GLU 71 CO -0.06 -0.07 -0.25 0.14 0.02 0.00 0.00 175.26 175.05 2kyi s VAL 72 N 1.15 1.98 0.05 2.63 -7.23 0.72 -0.11 120.40 119.61 2kyi s VAL 72 Ca 0.02 -1.33 0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2kyi s VAL 72 Cb -0.14 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2kyi s VAL 72 CO -0.00 0.31 -0.26 -1.83 -0.31 0.00 0.00 175.10 173.01 2kyi s GLU 73 N -1.22 1.72 0.00 4.82 4.04 0.59 -0.39 118.70 128.26 2kyi s GLU 73 Ca 0.10 -1.11 0.00 0.00 0.04 0.00 0.00 54.97 54.00 2kyi s GLU 73 Cb -0.10 -1.92 0.00 0.00 0.02 0.00 0.00 34.13 32.14 2kyi s GLU 73 CO 0.02 0.49 0.00 0.41 -1.84 0.00 0.00 175.26 174.34 2kyi n GLY 74 N 1.71 -2.92 3.43 -3.83 0.00 -1.02 -1.87 105.19 100.68 2kyi n GLY 74 Ca -0.17 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 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 5.43 0.36 0.99 1.02 0.86 -0.42 118.68 126.92 2kyi s LEU 75 Ca 0.00 -2.68 -0.27 0.00 0.02 0.00 0.00 54.13 51.20 2kyi s LEU 75 Cb 0.00 -2.35 -0.09 0.00 0.02 0.00 0.00 46.19 43.77 2kyi s LEU 75 CO 0.00 -0.79 1.23 0.27 0.02 0.00 0.00 176.35 177.08 2kyi s ILE 76 N 1.46 2.95 -0.26 -0.59 -4.36 -1.26 0.01 121.20 119.15 2kyi s ILE 76 Ca 0.34 0.88 -0.11 0.00 -0.26 0.00 0.00 60.65 61.50 2kyi s ILE 76 Cb -0.05 -3.53 -0.12 0.00 1.25 0.00 0.00 42.46 40.01 2kyi s ILE 76 CO -0.06 0.15 -0.31 -0.67 0.24 0.00 0.00 174.94 174.29 2kyi n ASP 77 N 0.46 1.86 -3.57 4.36 2.03 0.14 -4.87 116.55 116.95 2kyi n ASP 77 Ca 0.02 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.48 2kyi n ASP 77 Cb 0.44 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kyi s ALA 78 N -2.47 -1.55 -0.06 -1.67 0.00 -1.03 -5.01 121.76 109.98 2kyi s ALA 78 Ca -0.35 0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2kyi s ALA 78 Cb 0.13 0.78 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2kyi s ALA 78 CO 0.47 -0.85 -0.17 -0.51 0.00 0.00 0.00 175.76 174.70 2kyi s LEU 79 N -2.77 1.89 -0.28 0.00 1.43 -1.26 -1.66 118.68 116.03 2kyi s LEU 79 Ca 0.05 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2kyi s LEU 79 Cb -0.02 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.22 2kyi s LEU 79 CO -0.06 0.13 -0.02 -0.69 0.23 0.00 0.00 176.35 175.94 2kyi s VAL 80 N 0.19 2.96 -0.22 -1.59 1.01 0.33 -4.99 120.40 118.10 2kyi s VAL 80 Ca -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 2kyi s VAL 80 Cb -0.13 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2kyi s VAL 80 CO 0.03 0.00 -0.00 -0.47 0.00 0.00 0.00 175.10 174.67 2kyi s TYR 81 N 1.28 1.70 0.30 5.22 6.14 -1.26 -0.50 117.35 130.23 2kyi s TYR 81 Ca -0.03 -1.33 -0.29 0.00 0.64 0.00 0.00 57.07 56.06 2kyi s TYR 81 Cb -0.19 -1.33 -0.10 0.00 0.42 0.00 0.00 41.96 40.77 2kyi s TYR 81 CO -0.02 -0.70 1.33 -2.14 0.64 0.00 0.00 175.55 174.65 2kyi s PRO 82 N 1.63 4.35 0.00 4.97 0.02 -1.26 -4.89 135.00 139.81 2kyi s PRO 82 Ca -0.03 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 2kyi s PRO 82 Cb -0.18 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.18 2kyi s PRO 82 CO -0.08 -0.23 2.15 1.28 -0.33 0.00 0.00 177.00 179.79 2kyi n LEU 83 N 1.32 4.64 0.00 -5.54 4.77 -1.26 -4.87 117.00 116.06 2kyi n LEU 83 Ca 0.02 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2kyi n LEU 83 Cb 0.42 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2kyi n LEU 83 CO 0.59 1.03 0.00 -0.62 -1.33 0.00 0.00 177.39 177.06 2kyi n GLU 84 N 1.83 0.00 -0.23 3.23 1.02 -1.26 -3.88 120.64 121.35 2kyi n GLU 84 Ca 0.10 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.31 2kyi n GLU 84 Cb 0.54 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.15 2kyi n GLU 84 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kyi n HIS 85 N -0.70 0.59 -2.83 -0.32 -0.00 -1.26 -4.89 115.22 105.81 2kyi n HIS 85 Ca 0.00 -0.52 -0.44 0.00 -0.00 0.00 0.00 57.72 56.77 2kyi n HIS 85 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 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 0.69 4.23 0.00 1.57 -0.00 -1.25 -4.95 115.22 115.51 2kyi n HIS 86 Ca 0.14 -3.21 0.00 0.00 -0.00 0.00 0.00 57.72 54.66 2kyi n HIS 86 Cb 0.49 -1.99 0.00 0.00 -0.00 0.00 0.00 29.99 28.49 2kyi n HIS 86 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kyi n HIS 87 N 4.42 0.00 0.00 1.57 8.25 -1.26 -4.82 115.22 123.38 2kyi n HIS 87 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2kyi n HIS 87 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2kyi n HIS 87 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kyi n HIS 88 N 14.00 0.00 -2.01 4.41 8.25 -1.26 -4.87 115.22 133.74 2kyi n HIS 88 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2kyi n HIS 88 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2kyi n HIS 88 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kyi s HIS 89 N 0.00 1.67 0.00 4.41 3.76 -1.26 -5.15 115.29 118.71 2kyi s HIS 89 Ca 0.00 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 2kyi s HIS 89 Cb 0.00 -4.07 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2kyi s HIS 89 CO 0.00 -2.41 0.00 1.58 -0.85 0.00 0.00 174.74 173.06