#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 6.53 0.00 3.17 2.15 -1.26 -4.61 116.67 122.65 2kyi s ASP 21 Ca 0.00 -1.56 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2kyi s ASP 21 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2kyi s ASP 21 CO 0.00 -1.45 0.00 -3.20 -0.17 0.00 0.00 175.17 170.35 2kyi n ASN 22 N 8.65 0.00 -3.44 -0.34 2.85 -1.26 -5.08 115.26 116.63 2kyi n ASN 22 Ca 0.33 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.64 2kyi n ASN 22 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 2kyi n ASN 22 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kyi n ARG 23 N 0.00 -1.55 -3.56 1.20 1.74 -1.23 -4.97 116.66 108.29 2kyi n ARG 23 Ca 0.00 1.17 -0.25 0.00 -0.77 0.00 0.00 57.85 58.00 2kyi n ARG 23 Cb 0.00 -3.76 -0.02 0.00 -1.02 0.00 0.00 32.46 27.66 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 -3.89 3.50 -0.32 5.56 -1.52 0.53 -4.75 119.66 118.78 2kyi s GLN 24 Ca 0.05 -0.36 -0.05 0.00 -1.95 0.00 0.00 55.36 53.04 2kyi s GLN 24 Cb -0.01 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 30.07 2kyi s GLN 24 CO 0.83 0.28 0.07 -0.06 -0.25 0.00 0.00 175.29 176.16 2kyi s PHE 25 N -2.10 3.22 -0.45 0.91 0.08 -1.26 -2.17 117.98 116.20 2kyi s PHE 25 Ca 0.39 -1.40 -0.15 0.00 0.12 0.00 0.00 56.93 55.89 2kyi s PHE 25 Cb -0.10 -2.23 0.06 0.00 -0.57 0.00 0.00 43.02 40.18 2kyi s PHE 25 CO 0.32 -0.71 0.36 -1.17 -0.10 0.00 0.00 175.22 173.93 2kyi s LEU 26 N 1.40 5.46 -0.30 -0.37 2.96 0.11 -4.96 118.68 122.98 2kyi s LEU 26 Ca -0.01 -1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 52.64 2kyi s LEU 26 Cb -0.19 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.38 2kyi s LEU 26 CO 0.02 -0.59 0.02 -0.44 -1.32 0.00 0.00 176.35 174.03 2kyi s SER 27 N 2.34 4.94 -0.13 3.68 0.01 -1.26 -0.07 113.70 123.20 2kyi s SER 27 Ca 0.04 -1.21 0.02 0.00 1.31 0.00 0.00 55.95 56.12 2kyi s SER 27 Cb -0.23 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.26 2kyi s SER 27 CO 0.07 -0.26 -0.21 -0.22 0.41 0.00 0.00 173.24 173.03 2kyi s LEU 28 N 1.29 2.19 -0.34 2.44 2.96 -0.54 -4.99 118.68 121.69 2kyi s LEU 28 Ca -0.04 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.20 2kyi s LEU 28 Cb -0.19 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.04 2kyi s LEU 28 CO -0.00 0.10 0.19 -0.89 -1.32 0.00 0.00 176.35 174.42 2kyi s THR 29 N 0.70 4.67 0.00 3.68 2.01 -1.26 -0.84 115.64 124.59 2kyi s THR 29 Ca -0.09 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2kyi s THR 29 Cb -0.16 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2kyi s THR 29 CO 0.01 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 2kyi n GLY 30 N 5.01 0.24 3.61 4.40 0.00 1.00 -4.95 105.19 114.50 2kyi n GLY 30 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.30 4.59 -0.17 1.61 1.01 0.11 -2.22 120.40 125.02 2kyi s VAL 31 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.03 2kyi s VAL 31 Cb 0.00 -3.05 -0.22 0.00 0.00 0.00 0.00 36.38 33.11 2kyi s VAL 31 CO 0.00 0.48 0.07 -0.24 0.00 0.00 0.00 175.10 175.40 2kyi n SER 32 N 3.47 0.70 -3.45 3.32 2.88 0.15 -4.48 113.62 116.21 2kyi n SER 32 Ca -0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2kyi n SER 32 Cb 0.52 0.95 -0.03 0.00 -0.75 0.00 0.00 64.21 64.91 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 -2.44 1.24 -0.25 -1.46 2.20 -0.97 -5.01 119.74 113.05 2kyi s LYS 33 Ca -0.09 -0.43 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2kyi s LYS 33 Cb 0.05 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 36.91 2kyi s LYS 33 CO 0.72 -0.53 0.09 0.08 -0.36 0.00 0.00 175.35 175.35 2kyi s VAL 34 N -3.54 4.54 -0.13 4.02 1.01 -1.26 0.25 120.40 125.29 2kyi s VAL 34 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2kyi s VAL 34 Cb -0.01 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 2kyi s VAL 34 CO -0.11 0.33 0.07 1.56 0.00 0.00 0.00 175.10 176.95 2kyi h GLN 35 N 8.20 0.00 -4.69 2.72 4.20 -0.95 -3.47 115.11 121.12 2kyi h GLN 35 Ca -0.38 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.78 2kyi h GLN 35 Cb 1.18 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.62 2kyi h GLN 35 CO 0.58 0.27 -0.83 -1.12 -0.67 0.00 0.00 178.83 177.06 2kyi s SER 36 N -5.88 2.10 -0.32 1.46 0.01 -1.16 -4.96 113.70 104.94 2kyi s SER 36 Ca -0.12 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.78 2kyi s SER 36 Cb 0.01 -0.96 0.07 0.00 0.21 0.00 0.00 66.02 65.35 2kyi s SER 36 CO 0.25 0.05 0.03 0.12 0.41 0.00 0.00 173.24 174.10 2kyi s PHE 37 N 0.70 3.43 0.00 2.43 5.36 -1.26 -0.85 117.98 127.78 2kyi s PHE 37 Ca -0.13 -2.28 0.03 0.00 -0.96 0.00 0.00 56.93 53.59 2kyi s PHE 37 Cb -0.16 -2.46 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 2kyi s PHE 37 CO 0.03 -0.88 -0.10 0.34 -1.46 0.00 0.00 175.22 173.16 2kyi s ASP 38 N 1.28 1.15 0.41 6.13 -1.08 0.08 -5.02 116.67 119.62 2kyi s ASP 38 Ca -0.00 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 2kyi s ASP 38 Cb -0.20 -0.11 1.44 0.00 -1.46 0.00 0.00 42.92 42.59 2kyi s ASP 38 CO -0.04 0.08 1.81 -0.65 0.52 0.00 0.00 175.17 176.89 2kyi h PRO 39 N 5.68 0.00 -0.00 4.34 0.11 -1.98 -2.14 132.00 138.01 2kyi h PRO 39 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kyi h PRO 39 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kyi h PRO 39 CO 0.48 0.00 -0.22 1.63 -0.21 0.00 0.00 178.00 179.68 2kyi n LYS 40 N -2.44 3.63 -3.53 1.05 5.02 -1.26 -1.04 118.16 119.59 2kyi n LYS 40 Ca -0.02 -0.24 -0.16 0.00 -2.02 0.00 0.00 58.31 55.87 2kyi n LYS 40 Cb 0.06 -0.88 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 2kyi n LYS 40 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2kyi s GLU 41 N -1.33 0.96 -0.04 1.97 4.04 -0.80 -1.94 118.70 121.56 2kyi s GLU 41 Ca 0.04 0.24 0.02 0.00 0.04 0.00 0.00 54.97 55.31 2kyi s GLU 41 Cb 0.05 0.45 0.02 0.00 0.02 0.00 0.00 34.13 34.67 2kyi s GLU 41 CO 0.21 -0.30 -0.07 0.42 -1.84 0.00 0.00 175.26 173.69 2kyi s ILE 42 N -1.16 0.66 -0.47 1.83 -1.09 -0.92 -0.74 121.20 119.30 2kyi s ILE 42 Ca -0.09 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 2kyi s ILE 42 Cb -0.00 -0.64 0.11 0.00 -1.58 0.00 0.00 42.46 40.34 2kyi s ILE 42 CO 0.08 0.24 0.36 -0.76 -1.23 0.00 0.00 174.94 173.63 2kyi s LEU 43 N 0.66 5.65 -0.14 2.97 1.43 -0.03 -0.85 118.68 128.38 2kyi s LEU 43 Ca -0.10 -1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 51.10 2kyi s LEU 43 Cb -0.13 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2kyi s LEU 43 CO 0.01 -0.68 0.49 -0.76 0.23 0.00 0.00 176.35 175.63 2kyi s LEU 44 N 1.46 4.24 -0.57 1.79 1.43 0.37 -0.22 118.68 127.17 2kyi s LEU 44 Ca 0.04 0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 2kyi s LEU 44 Cb -0.26 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.31 2kyi s LEU 44 CO 0.02 -0.05 0.93 -0.70 0.23 0.00 0.00 176.35 176.78 2kyi s GLU 45 N 0.88 3.26 0.08 1.70 2.12 0.14 0.11 118.70 126.99 2kyi s GLU 45 Ca 0.26 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.15 2kyi s GLU 45 Cb -0.15 -4.10 0.01 0.00 0.26 0.00 0.00 34.13 30.16 2kyi s GLU 45 CO 0.10 -1.55 0.11 0.25 -0.54 0.00 0.00 175.26 173.63 2kyi n THR 46 N 6.09 0.00 -1.76 -1.70 -2.24 0.05 0.32 114.28 115.04 2kyi n THR 46 Ca -0.00 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 2kyi n THR 46 Cb 0.47 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 2kyi n THR 46 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2kyi s ILE 47 N 0.16 3.17 -1.36 2.28 1.01 -0.94 -2.58 121.20 122.93 2kyi s ILE 47 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2kyi s ILE 47 Cb -0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2kyi s ILE 47 CO 0.05 -0.40 0.00 1.67 0.00 0.00 0.00 174.94 176.26 2kyi n GLN 48 N 8.99 -0.91 -2.01 2.79 7.27 -1.26 -4.93 117.38 127.31 2kyi n GLN 48 Ca 0.35 0.93 -0.03 0.00 0.07 0.00 0.00 57.00 58.32 2kyi n GLN 48 Cb 0.50 -4.99 -0.00 0.00 2.41 0.00 0.00 30.24 28.15 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 -1.35 2.60 3.09 1.69 0.00 -1.07 -5.16 105.19 104.99 2kyi n GLY 49 Ca -0.13 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.59 0.54 -0.11 1.61 1.01 -1.26 -0.77 120.40 118.83 2kyi s VAL 50 Ca 0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 2kyi s VAL 50 Cb -0.00 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.43 2kyi s VAL 50 CO 0.04 -0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 174.28 2kyi s LEU 51 N -2.11 1.07 -0.26 3.92 2.96 0.12 -4.07 118.68 120.32 2kyi s LEU 51 Ca -0.03 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 2kyi s LEU 51 Cb -0.04 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 2kyi s LEU 51 CO -0.02 -0.14 0.19 -0.44 -1.32 0.00 0.00 176.35 174.62 2kyi s SER 52 N 1.76 6.09 -0.22 3.68 0.01 0.84 -0.48 113.70 125.39 2kyi s SER 52 Ca 0.05 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.36 2kyi s SER 52 Cb -0.13 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2kyi s SER 52 CO -0.08 0.00 -0.08 -0.63 0.41 0.00 0.00 173.24 172.87 2kyi s ILE 53 N 1.40 3.01 -0.00 1.44 -1.09 -0.03 -0.03 121.20 125.90 2kyi s ILE 53 Ca 0.08 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 57.78 2kyi s ILE 53 Cb -0.15 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 2kyi s ILE 53 CO 0.08 0.39 0.16 -0.54 -1.23 0.00 0.00 174.94 173.80 2kyi s LYS 54 N 1.41 3.36 0.00 2.79 1.02 0.83 -2.17 119.74 126.97 2kyi s LYS 54 Ca 0.04 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2kyi s LYS 54 Cb -0.15 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2kyi s LYS 54 CO -0.05 0.67 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 2kyi n GLY 55 N 0.94 -0.35 3.24 -3.33 0.00 -0.82 0.82 105.19 105.70 2kyi n GLY 55 Ca -0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2kyi n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kyi s GLU 56 N -2.00 0.63 -1.26 1.61 -1.05 0.79 -4.49 118.70 112.93 2kyi s GLU 56 Ca 0.00 -0.05 -0.05 0.00 -0.15 0.00 0.00 54.97 54.72 2kyi s GLU 56 Cb 0.00 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2kyi s GLU 56 CO 0.00 -0.16 1.08 1.63 0.95 0.00 0.00 175.26 178.76 2kyi n LYS 57 N 1.58 -7.22 -1.60 -4.83 4.01 -0.96 -1.25 118.16 107.88 2kyi n LYS 57 Ca -0.20 0.82 -0.41 0.00 -0.51 0.00 0.00 58.31 58.01 2kyi n LYS 57 Cb 0.56 -5.79 -0.03 0.00 -0.51 0.00 0.00 35.03 29.26 2kyi n LYS 57 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kyi n LEU 58 N -4.53 4.99 -4.51 -0.35 4.32 -0.20 -4.07 117.00 112.64 2kyi n LEU 58 Ca -0.12 -3.45 -0.43 0.00 -0.02 0.00 0.00 56.01 52.00 2kyi n LEU 58 Cb 0.60 -1.44 -0.04 0.00 -1.62 0.00 0.00 43.42 40.93 2kyi n LEU 58 CO 0.62 0.01 0.78 -0.83 -1.22 0.00 0.00 177.39 176.74 2kyi s GLY 59 N 4.49 1.37 0.61 -0.72 0.00 -0.61 -4.80 107.32 107.66 2kyi s GLY 59 Ca 0.55 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.75 2kyi s GLY 59 CO 0.05 2.09 1.12 -0.26 0.00 0.00 0.00 173.10 176.10 2kyi s ILE 60 N 4.08 3.21 -0.20 0.90 -4.36 -1.26 -2.38 121.20 121.19 2kyi s ILE 60 Ca 0.29 0.64 -0.15 0.00 -0.26 0.00 0.00 60.65 61.17 2kyi s ILE 60 Cb -0.13 -3.18 -0.09 0.00 1.25 0.00 0.00 42.46 40.31 2kyi s ILE 60 CO 0.17 -0.27 -0.20 0.29 0.24 0.00 0.00 174.94 175.17 2kyi n LYS 61 N -1.94 0.53 -2.88 0.37 5.02 0.06 -4.82 118.16 114.50 2kyi n LYS 61 Ca 0.11 0.37 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 2kyi n LYS 61 Cb 0.52 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2kyi s HIS 62 N -2.54 2.73 -0.00 2.13 3.76 -1.26 -4.79 115.29 115.32 2kyi s HIS 62 Ca -0.28 -0.44 0.11 0.00 -0.15 0.00 0.00 55.06 54.31 2kyi s HIS 62 Cb 0.07 -4.18 -0.15 0.00 1.11 0.00 0.00 32.58 29.42 2kyi s HIS 62 CO 0.42 -1.53 1.12 1.25 -0.85 0.00 0.00 174.74 175.15 2kyi h LEU 63 N 11.13 0.00 -8.72 0.89 5.85 -1.97 -3.43 115.31 119.05 2kyi h LEU 63 Ca -0.28 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.78 2kyi h LEU 63 Cb 1.07 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.94 2kyi h LEU 63 CO 1.14 0.84 -0.18 -1.81 -0.34 0.00 0.00 178.44 178.10 2kyi s ASP 64 N -6.40 6.24 -0.87 1.25 1.01 -1.26 -5.02 116.67 111.61 2kyi s ASP 64 Ca -0.00 -0.21 -0.25 0.00 0.71 0.00 0.00 52.55 52.80 2kyi s ASP 64 Cb 0.09 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.83 2kyi s ASP 64 CO 0.80 -0.43 1.34 -0.76 0.21 0.00 0.00 175.17 176.34 2kyi s LEU 65 N 2.19 3.42 0.15 1.23 1.43 -1.26 -4.78 118.68 121.06 2kyi s LEU 65 Ca 0.15 -0.98 0.27 0.00 -1.03 0.00 0.00 54.13 52.53 2kyi s LEU 65 Cb -0.16 -2.55 0.85 0.00 0.03 0.00 0.00 46.19 44.36 2kyi s LEU 65 CO 0.13 -1.65 1.76 2.29 0.23 0.00 0.00 176.35 179.10 2kyi n LYS 66 N 9.00 0.20 0.00 1.70 2.85 -1.26 -4.89 118.16 125.75 2kyi n LYS 66 Ca 0.17 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2kyi n LYS 66 Cb 0.50 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 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 -1.71 0.00 -2.07 0.58 0.00 -1.26 -5.05 120.51 111.00 2kyi n ALA 67 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kyi n ALA 67 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.66 3.72 0.00 0.00 -1.26 -4.98 105.19 103.33 2kyi n GLY 68 Ca 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2kyi n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kyi s GLN 69 N 0.00 4.18 -0.14 1.61 -2.07 -1.26 0.08 119.66 122.05 2kyi s GLN 69 Ca 0.05 -0.21 -0.00 0.00 -1.82 0.00 0.00 55.36 53.37 2kyi s GLN 69 Cb 0.05 -3.43 0.03 0.00 -1.09 0.00 0.00 33.01 28.57 2kyi s GLN 69 CO -0.02 0.28 -0.09 0.08 -1.32 0.00 0.00 175.29 174.21 2kyi s VAL 70 N 0.42 1.26 -0.26 3.63 1.01 -0.02 -4.88 120.40 121.55 2kyi s VAL 70 Ca 0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2kyi s VAL 70 Cb -0.11 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2kyi s VAL 70 CO -0.01 0.32 0.08 -1.61 0.00 0.00 0.00 175.10 173.88 2kyi s GLU 71 N 1.60 3.52 -0.14 2.72 8.01 -1.26 -1.47 118.70 131.68 2kyi s GLU 71 Ca 0.03 -0.57 0.01 0.00 0.01 0.00 0.00 54.97 54.46 2kyi s GLU 71 Cb -0.14 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.33 2kyi s GLU 71 CO -0.09 -0.26 -0.18 0.08 0.01 0.00 0.00 175.26 174.82 2kyi s VAL 72 N 1.59 2.45 0.24 2.63 1.01 0.89 -0.76 120.40 128.46 2kyi s VAL 72 Ca 0.06 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.29 2kyi s VAL 72 Cb -0.16 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2kyi s VAL 72 CO 0.04 0.53 -0.13 -1.83 0.00 0.00 0.00 175.10 173.71 2kyi s GLU 73 N 0.69 1.91 0.00 2.72 -1.05 -1.00 0.10 118.70 122.07 2kyi s GLU 73 Ca -0.08 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.21 2kyi s GLU 73 Cb -0.16 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 2kyi s GLU 73 CO 0.01 0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.01 2kyi n GLY 74 N -0.43 0.83 3.39 -3.83 0.00 -0.92 -1.57 105.19 102.66 2kyi n GLY 74 Ca -0.08 -1.83 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 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 5.90 0.22 0.99 1.02 -0.38 -0.35 118.68 126.08 2kyi s LEU 75 Ca 0.00 -3.00 -0.30 0.00 0.02 0.00 0.00 54.13 50.85 2kyi s LEU 75 Cb 0.00 -2.29 -0.08 0.00 0.02 0.00 0.00 46.19 43.84 2kyi s LEU 75 CO 0.00 -0.59 1.01 0.27 0.02 0.00 0.00 176.35 177.05 2kyi s ILE 76 N 0.42 3.97 -0.08 -0.59 -4.36 -1.26 -0.15 121.20 119.14 2kyi s ILE 76 Ca 0.31 1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 62.51 2kyi s ILE 76 Cb -0.07 -4.19 -0.02 0.00 1.25 0.00 0.00 42.46 39.42 2kyi s ILE 76 CO -0.06 0.40 -0.13 -0.67 0.24 0.00 0.00 174.94 174.72 2kyi n ASP 77 N 1.76 0.97 -3.93 4.36 2.03 0.24 -4.89 116.55 117.09 2kyi n ASP 77 Ca -0.00 0.33 -0.10 0.00 0.52 0.00 0.00 54.79 55.54 2kyi n ASP 77 Cb 0.47 -0.66 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 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 -2.90 -0.07 -0.20 -1.67 0.00 -0.98 -4.97 121.76 110.97 2kyi s ALA 78 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2kyi s ALA 78 Cb 0.01 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2kyi s ALA 78 CO 0.16 -0.29 -0.16 -0.51 0.00 0.00 0.00 175.76 174.97 2kyi s LEU 79 N -1.97 2.48 -0.30 0.00 1.43 -1.26 -0.12 118.68 118.94 2kyi s LEU 79 Ca -0.07 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 2kyi s LEU 79 Cb -0.03 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2kyi s LEU 79 CO -0.03 -0.04 0.02 -0.69 0.23 0.00 0.00 176.35 175.84 2kyi s VAL 80 N 1.29 3.32 -0.24 -1.59 1.01 0.96 -4.99 120.40 120.16 2kyi s VAL 80 Ca 0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 2kyi s VAL 80 Cb -0.14 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 2kyi s VAL 80 CO -0.10 -0.02 0.02 -0.47 0.00 0.00 0.00 175.10 174.53 2kyi s TYR 81 N 1.35 3.04 -0.65 5.22 6.14 -1.26 -0.11 117.35 131.07 2kyi s TYR 81 Ca -0.02 -0.75 -0.33 0.00 0.64 0.00 0.00 57.07 56.61 2kyi s TYR 81 Cb -0.18 -2.18 -0.16 0.00 0.42 0.00 0.00 41.96 39.86 2kyi s TYR 81 CO -0.00 -0.48 2.42 -2.30 0.64 0.00 0.00 175.55 175.83 2kyi n PRO 82 N 4.86 0.47 -0.04 4.97 -0.02 -1.26 -4.77 135.00 139.21 2kyi n PRO 82 Ca -0.17 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2kyi n PRO 82 Cb 0.51 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 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 10.85 1.40 -0.88 2.45 -0.00 -1.26 -3.89 117.00 125.67 2kyi n LEU 83 Ca 0.52 -0.70 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2kyi n LEU 83 Cb 0.17 -0.51 0.08 0.00 -0.00 0.00 0.00 43.42 43.16 2kyi n LEU 83 CO 0.84 0.29 0.43 -0.62 -0.00 0.00 0.00 177.39 178.34 2kyi n GLU 84 N 0.07 1.76 -0.29 1.47 1.02 -1.26 -4.28 120.64 119.13 2kyi n GLU 84 Ca 0.01 -0.68 0.02 0.00 -0.02 0.00 0.00 57.16 56.49 2kyi n GLU 84 Cb 0.32 -1.60 0.22 0.00 -0.02 0.00 0.00 31.44 30.35 2kyi n GLU 84 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kyi h HIS 85 N 0.76 1.05 -4.28 -0.32 2.76 -1.98 -3.39 115.15 109.76 2kyi h HIS 85 Ca 0.02 0.03 -0.53 0.00 -2.20 0.00 0.00 60.37 57.69 2kyi h HIS 85 Cb 0.92 -0.35 -0.29 0.00 1.55 0.00 0.00 27.41 29.24 2kyi h HIS 85 CO 0.26 0.61 -0.83 -3.38 -1.30 0.00 0.00 177.93 173.29 2kyi s HIS 86 N -5.92 1.50 0.18 5.26 -3.43 -1.26 -5.12 115.29 106.49 2kyi s HIS 86 Ca -0.12 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 53.56 2kyi s HIS 86 Cb 0.19 -0.97 -0.08 0.00 -1.43 0.00 0.00 32.58 30.29 2kyi s HIS 86 CO 0.80 -0.03 1.18 -3.38 -2.00 0.00 0.00 174.74 171.30 2kyi s HIS 87 N -0.37 3.46 0.50 0.38 -3.43 -1.26 -5.01 115.29 109.56 2kyi s HIS 87 Ca 0.06 1.46 -0.22 0.00 -0.80 0.00 0.00 55.06 55.56 2kyi s HIS 87 Cb -0.07 -3.40 -0.06 0.00 -1.43 0.00 0.00 32.58 27.62 2kyi s HIS 87 CO -0.01 -1.08 1.18 -1.01 -2.00 0.00 0.00 174.74 171.83 2kyi s HIS 88 N -0.06 2.73 0.03 0.38 3.76 -1.26 -4.96 115.29 115.92 2kyi s HIS 88 Ca 0.52 1.52 -0.27 0.00 -0.15 0.00 0.00 55.06 56.69 2kyi s HIS 88 Cb -0.32 -3.41 -0.17 0.00 1.11 0.00 0.00 32.58 29.79 2kyi s HIS 88 CO 0.36 -1.72 1.39 1.25 -0.85 0.00 0.00 174.74 175.17 2kyi h HIS 89 N 1.72 -0.44 0.00 1.40 2.76 -2.07 -3.56 115.15 114.96 2kyi h HIS 89 Ca -0.50 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 2kyi h HIS 89 Cb 1.26 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.36 2kyi h HIS 89 CO 0.52 -0.15 0.00 1.58 -1.30 0.00 0.00 177.93 178.58