#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyi s ASP 21 N 0.00 6.32 0.00 7.83 2.15 -1.26 -4.53 116.67 127.19 2kyi s ASP 21 Ca 0.00 -1.84 0.01 0.00 0.43 0.00 0.00 52.55 51.15 2kyi s ASP 21 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2kyi s ASP 21 CO 0.00 -1.69 0.34 0.59 -0.17 0.00 0.00 175.17 174.25 2kyi n ASN 22 N 9.89 0.69 -4.44 -0.34 4.13 -1.26 -4.95 115.26 118.97 2kyi n ASN 22 Ca 0.42 -0.84 -0.43 0.00 1.68 0.00 0.00 54.58 55.41 2kyi n ASN 22 Cb 0.48 0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 39.08 2kyi n ASN 22 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kyi s ARG 23 N -0.50 3.10 0.25 3.52 1.70 -1.26 -4.14 118.95 121.62 2kyi s ARG 23 Ca 0.01 -0.90 -0.02 0.00 -0.47 0.00 0.00 55.73 54.35 2kyi s ARG 23 Cb 0.01 -4.24 -0.04 0.00 -0.57 0.00 0.00 34.95 30.11 2kyi s ARG 23 CO 0.03 -1.78 0.46 -0.65 -1.08 0.00 0.00 175.30 172.27 2kyi s GLN 24 N 3.89 3.56 -0.39 3.89 -0.21 -0.59 -4.68 119.66 125.12 2kyi s GLN 24 Ca 0.21 -0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.21 2kyi s GLN 24 Cb -0.18 -2.76 0.01 0.00 1.00 0.00 0.00 33.01 31.09 2kyi s GLN 24 CO 0.10 0.31 0.36 -0.06 -2.12 0.00 0.00 175.29 173.88 2kyi s PHE 25 N -1.98 3.21 -0.44 0.91 0.08 -1.26 -2.47 117.98 116.03 2kyi s PHE 25 Ca 0.40 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 56.95 2kyi s PHE 25 Cb -0.11 -2.71 0.04 0.00 -0.57 0.00 0.00 43.02 39.68 2kyi s PHE 25 CO 0.30 -0.57 0.35 -1.17 -0.10 0.00 0.00 175.22 174.03 2kyi s LEU 26 N 1.92 5.32 -0.21 -0.37 2.96 0.12 -4.96 118.68 123.47 2kyi s LEU 26 Ca 0.09 -1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 52.88 2kyi s LEU 26 Cb -0.18 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2kyi s LEU 26 CO 0.12 -0.55 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.14 2kyi s SER 27 N 2.10 4.56 0.07 3.68 0.01 -1.26 -1.22 113.70 121.64 2kyi s SER 27 Ca 0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2kyi s SER 27 Cb -0.21 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2kyi s SER 27 CO 0.09 0.03 -0.05 -0.22 0.41 0.00 0.00 173.24 173.50 2kyi s LEU 28 N 1.19 2.50 0.16 2.44 2.96 -0.82 -5.03 118.68 122.08 2kyi s LEU 28 Ca 0.03 -0.99 0.05 0.00 -0.22 0.00 0.00 54.13 53.00 2kyi s LEU 28 Cb -0.14 0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 2kyi s LEU 28 CO 0.00 -0.53 -0.12 0.42 -1.32 0.00 0.00 176.35 174.81 2kyi s THR 29 N -3.73 1.32 0.00 3.68 -4.23 -1.26 -1.88 115.64 109.54 2kyi s THR 29 Ca 0.09 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2kyi s THR 29 Cb 0.06 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.05 2kyi s THR 29 CO -0.07 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 2kyi n GLY 30 N -0.15 0.85 3.66 3.99 0.00 -0.95 -5.02 105.19 107.57 2kyi n GLY 30 Ca -0.10 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 5.07 -0.20 1.61 1.01 -1.17 -2.76 120.40 121.97 2kyi s VAL 31 Ca 0.00 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.12 2kyi s VAL 31 Cb 0.00 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.28 2kyi s VAL 31 CO 0.00 0.15 0.05 -0.24 0.00 0.00 0.00 175.10 175.06 2kyi n SER 32 N 4.91 0.89 -3.56 3.32 2.88 0.59 -4.19 113.62 118.45 2kyi n SER 32 Ca -0.04 0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.36 2kyi n SER 32 Cb 0.50 0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 64.21 2kyi n SER 32 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2kyi s LYS 33 N -2.52 1.03 -0.25 -1.46 2.20 -0.98 -5.01 119.74 112.76 2kyi s LYS 33 Ca -0.19 -0.07 -0.08 0.00 -0.36 0.00 0.00 55.97 55.27 2kyi s LYS 33 Cb 0.07 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 2kyi s LYS 33 CO 0.75 -0.36 0.09 0.14 -0.36 0.00 0.00 175.35 175.61 2kyi s VAL 34 N -2.01 4.56 -0.09 4.02 -7.23 -1.26 0.31 120.40 118.69 2kyi s VAL 34 Ca -0.08 -0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 2kyi s VAL 34 Cb -0.01 -3.13 -0.24 0.00 0.56 0.00 0.00 36.38 33.56 2kyi s VAL 34 CO 0.02 0.34 0.96 1.56 -0.31 0.00 0.00 175.10 177.66 2kyi h GLN 35 N 8.07 0.02 -3.06 4.82 4.20 -1.14 -3.47 115.11 124.55 2kyi h GLN 35 Ca -0.37 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.15 2kyi h GLN 35 Cb 1.18 0.01 -0.26 0.00 0.30 0.00 0.00 27.48 28.70 2kyi h GLN 35 CO 0.59 0.83 -0.41 -1.12 -0.67 0.00 0.00 178.83 178.04 2kyi s SER 36 N -6.06 -0.29 -0.30 1.46 0.01 -1.24 -5.00 113.70 102.28 2kyi s SER 36 Ca -0.18 0.55 0.03 0.00 1.31 0.00 0.00 55.95 57.67 2kyi s SER 36 Cb -0.01 0.53 0.08 0.00 0.21 0.00 0.00 66.02 66.83 2kyi s SER 36 CO 0.69 -0.11 -0.03 0.12 0.41 0.00 0.00 173.24 174.32 2kyi s PHE 37 N 0.36 3.46 0.01 2.43 5.36 -1.26 -1.57 117.98 126.76 2kyi s PHE 37 Ca -0.02 -2.63 0.03 0.00 -0.96 0.00 0.00 56.93 53.35 2kyi s PHE 37 Cb -0.03 -2.39 -0.01 0.00 -0.34 0.00 0.00 43.02 40.25 2kyi s PHE 37 CO -0.01 -0.91 -0.08 0.34 -1.46 0.00 0.00 175.22 173.09 2kyi s ASP 38 N 1.02 0.98 0.03 6.13 2.15 -0.80 -5.02 116.67 121.16 2kyi s ASP 38 Ca 0.01 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.77 2kyi s ASP 38 Cb -0.19 -0.08 0.09 0.00 -0.30 0.00 0.00 42.92 42.43 2kyi s ASP 38 CO -0.07 0.05 0.97 -2.65 -0.17 0.00 0.00 175.17 173.30 2kyi n PRO 39 N 2.58 0.01 -0.07 4.34 -0.02 -1.26 -0.92 135.00 139.66 2kyi n PRO 39 Ca -0.15 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 2kyi n PRO 39 Cb 0.57 -1.62 -0.15 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.49 0.67 -3.65 -0.52 4.76 -1.26 -1.64 118.16 115.03 2kyi n LYS 40 Ca -0.00 0.14 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 2kyi n LYS 40 Cb 0.09 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.57 2kyi n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2kyi s GLU 41 N -2.54 0.62 -0.18 1.97 2.12 -0.10 -0.06 118.70 120.53 2kyi s GLU 41 Ca -0.10 1.28 -0.00 0.00 0.36 0.00 0.00 54.97 56.50 2kyi s GLU 41 Cb 0.07 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.89 2kyi s GLU 41 CO 0.81 -0.18 -0.16 0.42 -0.54 0.00 0.00 175.26 175.61 2kyi s ILE 42 N 2.16 2.47 -0.48 -3.70 1.01 0.06 -1.91 121.20 120.81 2kyi s ILE 42 Ca -0.08 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 2kyi s ILE 42 Cb -0.08 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.39 2kyi s ILE 42 CO -0.19 0.51 0.47 -0.76 0.00 0.00 0.00 174.94 174.97 2kyi s LEU 43 N 1.19 5.36 -0.30 2.97 1.43 -0.61 -1.00 118.68 127.72 2kyi s LEU 43 Ca 0.02 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.84 2kyi s LEU 43 Cb -0.14 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2kyi s LEU 43 CO -0.07 -0.72 0.31 -0.76 0.23 0.00 0.00 176.35 175.34 2kyi s LEU 44 N 1.99 4.21 -0.41 1.79 1.43 -0.23 -0.46 118.68 127.00 2kyi s LEU 44 Ca 0.08 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2kyi s LEU 44 Cb -0.22 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.74 2kyi s LEU 44 CO 0.09 -0.20 1.12 -0.70 0.23 0.00 0.00 176.35 176.88 2kyi s GLU 45 N 1.94 3.87 0.49 1.70 2.12 0.15 0.22 118.70 129.18 2kyi s GLU 45 Ca 0.11 0.80 0.08 0.00 0.36 0.00 0.00 54.97 56.32 2kyi s GLU 45 Cb -0.16 -3.83 0.04 0.00 0.26 0.00 0.00 34.13 30.44 2kyi s GLU 45 CO 0.11 -1.17 0.67 0.95 -0.54 0.00 0.00 175.26 175.28 2kyi s THR 46 N 4.12 2.63 0.16 -1.70 -4.23 0.11 -0.30 115.64 116.43 2kyi s THR 46 Ca 0.47 -0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 59.83 2kyi s THR 46 Cb -0.09 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 71.22 2kyi s THR 46 CO 0.25 0.00 1.20 -0.38 -0.54 0.00 0.00 174.62 175.15 2kyi n ILE 47 N -2.04 -0.44 -3.24 2.99 5.41 -1.11 -2.52 119.36 118.42 2kyi n ILE 47 Ca 0.11 1.84 -0.25 0.00 1.00 0.00 0.00 62.75 65.45 2kyi n ILE 47 Cb 0.60 -2.39 -0.08 0.00 -0.71 0.00 0.00 39.64 37.07 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 -5.10 0.59 -3.94 0.38 7.27 -1.26 -5.09 117.38 110.22 2kyi n GLN 48 Ca 0.06 -3.21 0.00 0.00 0.07 0.00 0.00 57.00 53.92 2kyi n GLN 48 Cb 0.28 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.61 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 1.76 -1.33 2.76 1.69 0.00 -1.05 -5.12 105.19 103.90 2kyi n GLY 49 Ca 0.23 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.00 0.03 -0.40 1.61 1.01 -1.26 0.04 120.40 118.42 2kyi s VAL 50 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 2kyi s VAL 50 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2kyi s VAL 50 CO 0.00 0.14 0.41 -0.22 0.00 0.00 0.00 175.10 175.44 2kyi s LEU 51 N 1.44 4.79 -0.60 3.92 2.96 0.13 -4.17 118.68 127.15 2kyi s LEU 51 Ca -0.04 -0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 53.07 2kyi s LEU 51 Cb -0.13 -2.37 0.07 0.00 0.50 0.00 0.00 46.19 44.27 2kyi s LEU 51 CO -0.03 -0.52 0.84 -0.55 -1.32 0.00 0.00 176.35 174.77 2kyi s SER 52 N 1.79 6.21 -0.44 3.68 0.15 0.51 -1.07 113.70 124.52 2kyi s SER 52 Ca 0.12 -0.99 -0.22 0.00 0.70 0.00 0.00 55.95 55.56 2kyi s SER 52 Cb -0.17 -2.37 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2kyi s SER 52 CO 0.13 -1.24 0.73 -0.63 1.20 0.00 0.00 173.24 173.43 2kyi s ILE 53 N 3.49 4.72 -0.09 6.45 1.01 -0.17 -0.71 121.20 135.90 2kyi s ILE 53 Ca 0.20 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 2kyi s ILE 53 Cb -0.18 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2kyi s ILE 53 CO 0.11 -0.65 -0.03 -0.54 0.00 0.00 0.00 174.94 173.82 2kyi s LYS 54 N 3.11 3.05 0.00 2.79 1.02 0.31 -0.76 119.74 129.26 2kyi s LYS 54 Ca 0.27 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.78 2kyi s LYS 54 Cb -0.13 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2kyi s LYS 54 CO 0.21 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.64 2kyi n GLY 55 N 2.48 -0.74 3.44 -3.33 0.00 0.91 0.28 105.19 108.22 2kyi n GLY 55 Ca -0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.85 1.02 -1.29 1.61 2.12 0.37 -4.42 118.70 117.27 2kyi s GLU 56 Ca 0.00 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2kyi s GLU 56 Cb 0.00 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2kyi s GLU 56 CO 0.00 -0.34 0.00 1.63 -0.54 0.00 0.00 175.26 176.01 2kyi n LYS 57 N 0.69 -1.19 -1.46 4.30 4.76 -0.89 -0.86 118.16 123.52 2kyi n LYS 57 Ca -0.19 0.74 -0.39 0.00 -2.87 0.00 0.00 58.31 55.60 2kyi n LYS 57 Cb 0.59 -5.06 -0.06 0.00 -1.84 0.00 0.00 35.03 28.66 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 -2.13 3.80 -4.57 -0.35 4.32 -0.65 -3.98 117.00 113.44 2kyi n LEU 58 Ca -0.18 -3.00 -0.42 0.00 -0.02 0.00 0.00 56.01 52.39 2kyi n LEU 58 Cb 0.63 -1.31 -0.06 0.00 -1.62 0.00 0.00 43.42 41.05 2kyi n LEU 58 CO 0.21 -0.80 0.45 -0.83 -1.22 0.00 0.00 177.39 175.20 2kyi s GLY 59 N 5.43 1.71 -0.61 -0.72 0.00 -0.76 -4.59 107.32 107.77 2kyi s GLY 59 Ca 0.61 -0.82 -0.20 0.00 0.00 0.00 0.00 44.72 44.30 2kyi s GLY 59 CO 0.12 1.59 0.78 -1.50 0.00 0.00 0.00 173.10 174.10 2kyi s ILE 60 N 2.87 4.67 -1.25 0.90 2.07 -1.26 -1.58 121.20 127.62 2kyi s ILE 60 Ca 0.27 -0.79 -0.13 0.00 -1.41 0.00 0.00 60.65 58.58 2kyi s ILE 60 Cb -0.14 -4.55 0.15 0.00 0.13 0.00 0.00 42.46 38.05 2kyi s ILE 60 CO 0.16 -1.23 1.61 1.17 -1.91 0.00 0.00 174.94 174.75 2kyi n LYS 61 N 6.75 3.38 -3.64 3.50 3.00 -1.23 -4.85 118.16 125.08 2kyi n LYS 61 Ca -0.08 -3.64 -0.09 0.00 -0.00 0.00 0.00 58.31 54.50 2kyi n LYS 61 Cb 0.43 -3.09 -0.07 0.00 0.00 0.00 0.00 35.03 32.30 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2kyi s HIS 62 N 1.74 -0.51 0.98 5.64 2.46 -1.26 -4.93 115.29 119.41 2kyi s HIS 62 Ca 0.44 1.24 -0.11 0.00 0.47 0.00 0.00 55.06 57.10 2kyi s HIS 62 Cb 0.02 0.36 0.19 0.00 -0.13 0.00 0.00 32.58 33.01 2kyi s HIS 62 CO 0.01 -0.25 1.11 -0.48 -2.47 0.00 0.00 174.74 172.67 2kyi s LEU 63 N 0.30 2.28 -0.59 8.88 2.34 -1.26 -4.77 118.68 125.86 2kyi s LEU 63 Ca 0.02 2.01 -0.26 0.00 0.06 0.00 0.00 54.13 55.96 2kyi s LEU 63 Cb -0.05 -4.25 -0.09 0.00 -0.56 0.00 0.00 46.19 41.23 2kyi s LEU 63 CO -0.06 -3.42 2.41 -1.81 -1.06 0.00 0.00 176.35 172.41 2kyi s ASP 64 N -2.62 4.24 0.00 1.48 1.11 -1.26 -4.32 116.67 115.30 2kyi s ASP 64 Ca 0.67 0.75 0.00 0.00 0.18 0.00 0.00 52.55 54.15 2kyi s ASP 64 Cb -0.23 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.24 2kyi s ASP 64 CO 0.60 -3.22 0.00 -0.11 1.18 0.00 0.00 175.17 173.62 2kyi n LEU 65 N 16.86 0.00 0.00 1.23 7.94 -1.26 -4.84 117.00 136.93 2kyi n LEU 65 Ca 0.40 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2kyi n LEU 65 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2kyi n LEU 65 CO 0.66 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.11 2kyi n LYS 66 N 0.00 0.00 -0.04 1.96 4.81 -1.26 -2.27 118.16 121.37 2kyi n LYS 66 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kyi n LYS 66 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kyi n ALA 67 N 1.09 1.22 0.00 3.14 0.00 -1.26 -4.98 120.51 119.72 2kyi n ALA 67 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kyi n ALA 67 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.09 1.73 3.31 0.00 0.00 -0.96 -4.92 105.19 104.27 2kyi n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.46 3.33 -0.07 1.61 0.74 -1.17 -2.24 119.66 121.41 2kyi s GLN 69 Ca 0.00 -0.67 0.05 0.00 0.05 0.00 0.00 55.36 54.78 2kyi s GLN 69 Cb 0.00 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.30 2kyi s GLN 69 CO 0.00 -0.03 -0.22 0.54 -0.55 0.00 0.00 175.29 175.03 2kyi s VAL 70 N 0.98 2.30 -0.25 1.34 0.11 -0.79 -4.69 120.40 119.39 2kyi s VAL 70 Ca -0.01 -0.97 -0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2kyi s VAL 70 Cb -0.15 -1.86 0.07 0.00 -1.53 0.00 0.00 36.38 32.92 2kyi s VAL 70 CO -0.01 0.57 0.02 -1.61 -3.33 0.00 0.00 175.10 170.74 2kyi s GLU 71 N -0.13 1.07 -0.15 1.54 2.02 -1.26 -1.94 118.70 119.84 2kyi s GLU 71 Ca -0.04 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2kyi s GLU 71 Cb -0.14 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 2kyi s GLU 71 CO 0.04 -0.75 -0.17 0.08 0.02 0.00 0.00 175.26 174.48 2kyi s VAL 72 N 1.56 2.52 -0.16 2.63 1.01 -0.36 -3.51 120.40 124.09 2kyi s VAL 72 Ca 0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2kyi s VAL 72 Cb -0.18 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 2kyi s VAL 72 CO -0.13 0.53 -0.14 -1.83 0.00 0.00 0.00 175.10 173.53 2kyi s GLU 73 N 0.75 3.27 0.00 2.72 -1.05 -0.61 0.14 118.70 123.91 2kyi s GLU 73 Ca -0.07 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2kyi s GLU 73 Cb -0.16 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2kyi s GLU 73 CO 0.01 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.66 2kyi n GLY 74 N 4.03 -1.54 3.49 -3.83 0.00 -1.03 -1.82 105.19 104.48 2kyi n GLY 74 Ca -0.19 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 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 4.73 0.42 0.99 1.43 -0.04 -1.54 118.68 124.67 2kyi s LEU 75 Ca 0.00 -2.51 -0.24 0.00 -1.03 0.00 0.00 54.13 50.35 2kyi s LEU 75 Cb 0.00 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 2kyi s LEU 75 CO 0.00 -0.97 1.11 0.27 0.23 0.00 0.00 176.35 176.99 2kyi s ILE 76 N 2.59 3.41 -0.09 -0.59 -4.36 -1.26 -0.48 121.20 120.42 2kyi s ILE 76 Ca 0.42 1.09 -0.03 0.00 -0.26 0.00 0.00 60.65 61.88 2kyi s ILE 76 Cb -0.02 -3.57 -0.05 0.00 1.25 0.00 0.00 42.46 40.07 2kyi s ILE 76 CO -0.02 0.01 -0.11 -0.67 0.24 0.00 0.00 174.94 174.40 2kyi n ASP 77 N -0.19 1.78 -3.66 4.36 2.03 0.14 -4.87 116.55 116.13 2kyi n ASP 77 Ca 0.06 0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 2kyi n ASP 77 Cb 0.49 -0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 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 -2.18 -1.10 -0.08 -1.67 0.00 -0.00 -4.97 121.76 111.77 2kyi s ALA 78 Ca -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2kyi s ALA 78 Cb 0.04 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.02 2kyi s ALA 78 CO 0.18 -0.79 -0.08 -0.51 0.00 0.00 0.00 175.76 174.57 2kyi s LEU 79 N -2.84 1.31 -0.13 0.00 1.43 -1.26 -0.53 118.68 116.67 2kyi s LEU 79 Ca 0.07 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2kyi s LEU 79 Cb -0.01 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 2kyi s LEU 79 CO -0.05 -0.06 -0.18 -0.69 0.23 0.00 0.00 176.35 175.59 2kyi s VAL 80 N 1.19 2.51 -0.18 -1.59 1.01 0.11 -4.98 120.40 118.48 2kyi s VAL 80 Ca -0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2kyi s VAL 80 Cb -0.14 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.27 2kyi s VAL 80 CO -0.02 0.54 0.00 -0.47 0.00 0.00 0.00 175.10 175.15 2kyi s TYR 81 N 0.54 1.26 0.07 5.22 6.14 -1.26 -0.37 117.35 128.95 2kyi s TYR 81 Ca -0.11 -0.90 -0.34 0.00 0.64 0.00 0.00 57.07 56.36 2kyi s TYR 81 Cb -0.16 -1.11 -0.13 0.00 0.42 0.00 0.00 41.96 40.98 2kyi s TYR 81 CO 0.04 -0.59 1.72 -2.30 0.64 0.00 0.00 175.55 175.06 2kyi n PRO 82 N 4.99 2.26 0.00 4.97 -0.02 -1.26 -4.85 135.00 141.09 2kyi n PRO 82 Ca -0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2kyi n PRO 82 Cb 0.47 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2kyi n PRO 82 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2kyi n LEU 83 N 4.86 0.02 0.00 2.45 -0.00 -1.26 -4.89 117.00 118.18 2kyi n LEU 83 Ca 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2kyi n LEU 83 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2kyi n LEU 83 CO 0.67 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.45 2kyi n GLU 84 N -0.06 0.00 -3.65 1.47 4.71 -1.26 -4.96 120.64 116.89 2kyi n GLU 84 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 2kyi n GLU 84 Cb 0.06 -0.38 -0.05 0.00 -1.01 0.00 0.00 31.44 30.05 2kyi n GLU 84 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2kyi s HIS 85 N 0.00 -1.21 0.16 -0.32 3.76 -1.26 -5.17 115.29 111.24 2kyi s HIS 85 Ca 0.00 2.17 0.04 0.00 -0.15 0.00 0.00 55.06 57.11 2kyi s HIS 85 Cb 0.00 0.70 -0.05 0.00 1.11 0.00 0.00 32.58 34.34 2kyi s HIS 85 CO 0.00 -0.61 -0.07 -1.01 -0.85 0.00 0.00 174.74 172.20 2kyi s HIS 86 N 2.62 1.27 0.42 1.40 3.76 -1.26 -5.17 115.29 118.33 2kyi s HIS 86 Ca -0.06 -0.83 0.03 0.00 -0.15 0.00 0.00 55.06 54.05 2kyi s HIS 86 Cb -0.11 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 32.93 2kyi s HIS 86 CO -0.18 0.01 0.25 0.72 -0.85 0.00 0.00 174.74 174.69 2kyi n HIS 87 N -0.22 -0.43 0.00 1.40 8.25 -1.26 -5.13 115.22 117.83 2kyi n HIS 87 Ca -0.09 -1.85 0.00 0.00 -0.26 0.00 0.00 57.72 55.52 2kyi n HIS 87 Cb 0.61 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.40 0.00 0.00 4.41 8.25 -1.26 -5.15 115.22 120.07 2kyi n HIS 88 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2kyi n HIS 88 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.00 0.00 -1.30 4.41 -0.00 -1.26 -5.31 115.22 111.76 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 1.58 0.46 0.00 0.00 176.34 178.38