#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 0.00 -1.70 7.83 8.00 -1.26 -4.70 116.55 124.73 2kyi n ASP 21 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2kyi n ASP 21 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2kyi n ASP 21 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kyi n ASN 22 N 3.84 -0.56 -0.52 -2.24 4.13 -1.26 -5.15 115.26 113.50 2kyi n ASN 22 Ca 0.00 -1.66 0.00 0.00 1.68 0.00 0.00 54.58 54.60 2kyi n ASN 22 Cb 0.00 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.25 2kyi n ASN 22 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kyi n ARG 23 N -0.20 -1.50 -4.78 3.52 1.74 -1.26 -5.05 116.66 109.13 2kyi n ARG 23 Ca -0.00 1.12 -0.26 0.00 -0.77 0.00 0.00 57.85 57.93 2kyi n ARG 23 Cb 0.21 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 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 -5.23 1.52 -0.35 5.56 -1.52 0.48 -4.89 119.66 115.22 2kyi s GLN 24 Ca 0.00 -0.90 -0.12 0.00 -1.95 0.00 0.00 55.36 52.40 2kyi s GLN 24 Cb 0.00 -1.58 0.01 0.00 -0.22 0.00 0.00 33.01 31.21 2kyi s GLN 24 CO 0.00 0.41 0.22 -0.06 -0.25 0.00 0.00 175.29 175.61 2kyi s PHE 25 N -0.71 3.22 -0.08 0.91 0.40 -1.26 -1.82 117.98 118.64 2kyi s PHE 25 Ca 0.08 -0.60 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 2kyi s PHE 25 Cb -0.09 -2.45 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 2kyi s PHE 25 CO 0.01 -0.51 -0.23 -1.17 0.70 0.00 0.00 175.22 174.02 2kyi s LEU 26 N 1.64 2.18 0.00 -0.37 2.96 0.49 -5.00 118.68 120.57 2kyi s LEU 26 Ca 0.04 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2kyi s LEU 26 Cb -0.18 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2kyi s LEU 26 CO 0.08 0.21 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.72 2kyi s SER 27 N 0.05 1.83 0.05 3.68 0.01 -1.26 -0.81 113.70 117.25 2kyi s SER 27 Ca -0.09 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2kyi s SER 27 Cb -0.15 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 2kyi s SER 27 CO 0.06 0.16 -0.07 -0.22 0.41 0.00 0.00 173.24 173.57 2kyi s LEU 28 N -0.57 2.31 0.09 2.44 2.96 -0.05 -4.99 118.68 120.88 2kyi s LEU 28 Ca 0.05 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.39 2kyi s LEU 28 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.47 2kyi s LEU 28 CO -0.00 -0.27 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.66 2kyi s THR 29 N -1.89 1.67 0.00 3.68 2.01 -1.26 -0.97 115.64 118.88 2kyi s THR 29 Ca -0.06 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.45 2kyi s THR 29 Cb -0.07 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2kyi s THR 29 CO -0.01 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2kyi n GLY 30 N 1.17 0.92 3.69 4.40 0.00 0.63 -4.81 105.19 111.19 2kyi n GLY 30 Ca -0.19 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 3.49 -0.15 1.61 1.01 -1.09 -1.88 120.40 121.38 2kyi s VAL 31 Ca 0.00 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 2kyi s VAL 31 Cb 0.00 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 2kyi s VAL 31 CO 0.00 0.00 0.38 -1.28 0.00 0.00 0.00 175.10 174.20 2kyi h SER 32 N 7.87 0.00 -5.40 3.32 0.87 -0.34 -3.42 113.55 116.44 2kyi h SER 32 Ca -0.39 -0.58 0.19 0.00 -1.23 0.00 0.00 61.79 59.78 2kyi h SER 32 Cb 1.19 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 2kyi h SER 32 CO 0.91 1.01 0.55 -1.59 -0.53 0.00 0.00 176.83 177.18 2kyi s LYS 33 N -2.14 1.15 -0.10 2.24 -2.85 -1.05 -5.04 119.74 111.96 2kyi s LYS 33 Ca -0.18 -0.67 -0.13 0.00 -1.00 0.00 0.00 55.97 53.99 2kyi s LYS 33 Cb 0.00 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2kyi s LYS 33 CO 0.49 -0.53 0.30 0.14 0.10 0.00 0.00 175.35 175.85 2kyi s VAL 34 N -2.85 5.26 -0.12 1.79 -7.23 -1.26 -0.55 120.40 115.44 2kyi s VAL 34 Ca 0.15 0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 60.83 2kyi s VAL 34 Cb -0.01 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.24 2kyi s VAL 34 CO 0.03 0.49 0.15 1.56 -0.31 0.00 0.00 175.10 177.02 2kyi h GLN 35 N 5.73 0.00 -3.85 4.82 1.08 -0.70 -3.46 115.11 118.73 2kyi h GLN 35 Ca -0.47 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.23 2kyi h GLN 35 Cb 1.19 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 28.24 2kyi h GLN 35 CO 0.68 0.26 -0.78 -1.12 -0.95 0.00 0.00 178.83 176.92 2kyi s SER 36 N -5.77 2.33 -0.47 1.46 0.01 -1.24 -4.98 113.70 105.04 2kyi s SER 36 Ca -0.07 -0.45 -0.14 0.00 1.31 0.00 0.00 55.95 56.59 2kyi s SER 36 Cb -0.00 -0.66 0.08 0.00 0.21 0.00 0.00 66.02 65.65 2kyi s SER 36 CO 0.20 -0.21 0.38 0.12 0.41 0.00 0.00 173.24 174.14 2kyi s PHE 37 N 1.82 3.27 0.04 2.43 5.36 -1.26 -0.94 117.98 128.70 2kyi s PHE 37 Ca 0.02 -1.11 0.04 0.00 -0.96 0.00 0.00 56.93 54.92 2kyi s PHE 37 Cb -0.14 -3.22 -0.02 0.00 -0.34 0.00 0.00 43.02 39.29 2kyi s PHE 37 CO -0.07 -0.84 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.21 2kyi s ASP 38 N 2.64 1.53 0.49 6.13 1.01 -0.07 -5.01 116.67 123.39 2kyi s ASP 38 Ca 0.04 -0.47 0.33 0.00 0.71 0.00 0.00 52.55 53.15 2kyi s ASP 38 Cb -0.25 -0.08 1.80 0.00 1.01 0.00 0.00 42.92 45.40 2kyi s ASP 38 CO 0.05 -0.01 2.01 -0.65 0.21 0.00 0.00 175.17 176.79 2kyi h PRO 39 N 4.83 0.00 -0.01 8.23 0.11 -1.97 -1.37 132.00 141.83 2kyi h PRO 39 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 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 0.43 0.00 -0.34 1.63 -0.21 0.00 0.00 178.00 179.51 2kyi n LYS 40 N -2.66 2.25 -3.49 1.05 5.02 -1.26 -0.47 118.16 118.59 2kyi n LYS 40 Ca -0.02 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 2kyi n LYS 40 Cb 0.05 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.72 0.34 -0.23 1.97 2.12 -0.52 -0.69 118.70 119.97 2kyi s GLU 41 Ca 0.09 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.18 2kyi s GLU 41 Cb 0.10 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.87 2kyi s GLU 41 CO 0.36 -0.10 -0.15 0.42 -0.54 0.00 0.00 175.26 175.26 2kyi s ILE 42 N 2.10 2.16 -0.37 -3.70 1.01 -0.15 -0.89 121.20 121.36 2kyi s ILE 42 Ca -0.05 -1.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.09 2kyi s ILE 42 Cb -0.06 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2kyi s ILE 42 CO -0.17 0.22 0.63 -0.76 0.00 0.00 0.00 174.94 174.86 2kyi s LEU 43 N 1.19 4.29 -0.24 2.97 1.43 -0.11 -1.67 118.68 126.55 2kyi s LEU 43 Ca -0.03 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2kyi s LEU 43 Cb -0.17 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 2kyi s LEU 43 CO -0.08 -0.61 0.11 -0.76 0.23 0.00 0.00 176.35 175.24 2kyi s LEU 44 N 2.70 3.80 -0.62 1.79 1.43 0.28 0.09 118.68 128.15 2kyi s LEU 44 Ca 0.24 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.10 2kyi s LEU 44 Cb -0.14 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.14 2kyi s LEU 44 CO 0.15 0.04 0.86 -0.70 0.23 0.00 0.00 176.35 176.93 2kyi s GLU 45 N 1.20 3.10 0.07 1.70 2.12 0.29 -0.17 118.70 127.02 2kyi s GLU 45 Ca 0.06 -0.95 0.08 0.00 0.36 0.00 0.00 54.97 54.51 2kyi s GLU 45 Cb -0.14 -4.22 -0.03 0.00 0.26 0.00 0.00 34.13 30.00 2kyi s GLU 45 CO 0.05 -1.67 -0.21 -0.08 -0.54 0.00 0.00 175.26 172.81 2kyi s THR 46 N 3.53 1.69 0.00 -1.70 -1.32 -0.39 0.47 115.64 117.91 2kyi s THR 46 Ca 0.19 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 2kyi s THR 46 Cb -0.19 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2kyi s THR 46 CO 0.10 0.09 0.00 -0.38 -2.21 0.00 0.00 174.62 172.22 2kyi n ILE 47 N 1.52 0.00 -1.37 5.08 2.08 -0.79 0.05 119.36 125.93 2kyi n ILE 47 Ca -0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.13 2kyi n ILE 47 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 2kyi n ILE 47 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2kyi n GLN 48 N 0.00 0.00 -3.97 0.38 -0.06 -1.26 -5.04 117.38 107.43 2kyi n GLN 48 Ca 0.00 -0.63 -0.08 0.00 -2.00 0.00 0.00 57.00 54.29 2kyi n GLN 48 Cb 0.00 -0.47 -0.09 0.00 -4.06 0.00 0.00 30.24 25.61 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2kyi s GLY 49 N -0.32 0.26 -0.22 1.69 0.00 0.11 -4.93 107.32 103.91 2kyi s GLY 49 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 43.88 2kyi s GLY 49 CO 0.00 -0.91 0.05 0.14 0.00 0.00 0.00 173.10 172.39 2kyi s VAL 50 N -3.13 4.38 -0.20 1.40 1.01 -1.26 -1.27 120.40 121.34 2kyi s VAL 50 Ca -0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 2kyi s VAL 50 Cb 0.02 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2kyi s VAL 50 CO -0.07 0.40 0.32 -0.22 0.00 0.00 0.00 175.10 175.53 2kyi s LEU 51 N 1.07 4.18 -0.53 3.92 2.96 0.76 -4.36 118.68 126.68 2kyi s LEU 51 Ca 0.04 0.44 -0.17 0.00 -0.22 0.00 0.00 54.13 54.22 2kyi s LEU 51 Cb -0.14 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.26 2kyi s LEU 51 CO 0.03 0.01 0.53 -0.44 -1.32 0.00 0.00 176.35 175.15 2kyi s SER 52 N 0.86 6.18 -0.43 3.68 0.01 0.06 -0.56 113.70 123.51 2kyi s SER 52 Ca 0.16 -1.58 -0.21 0.00 1.31 0.00 0.00 55.95 55.63 2kyi s SER 52 Cb -0.14 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2kyi s SER 52 CO 0.06 -0.87 0.67 -0.63 0.41 0.00 0.00 173.24 172.88 2kyi s ILE 53 N 1.88 4.80 0.02 1.44 1.01 -0.67 -1.34 121.20 128.33 2kyi s ILE 53 Ca 0.06 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2kyi s ILE 53 Cb -0.27 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2kyi s ILE 53 CO 0.05 -0.59 0.06 -0.54 0.00 0.00 0.00 174.94 173.92 2kyi s LYS 54 N 2.89 2.97 0.00 2.79 1.02 0.16 -0.98 119.74 128.58 2kyi s LYS 54 Ca 0.24 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2kyi s LYS 54 Cb -0.14 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2kyi s LYS 54 CO 0.19 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.66 2kyi n GLY 55 N 1.06 -0.50 3.46 -3.33 0.00 0.13 0.73 105.19 106.75 2kyi n GLY 55 Ca -0.12 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.64 1.07 -1.33 1.61 -1.05 0.24 -4.38 118.70 113.22 2kyi s GLU 56 Ca 0.00 -0.00 -0.06 0.00 -0.15 0.00 0.00 54.97 54.76 2kyi s GLU 56 Cb 0.00 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2kyi s GLU 56 CO 0.00 -0.37 1.10 1.17 0.95 0.00 0.00 175.26 178.11 2kyi n LYS 57 N 0.59 -7.27 -1.72 -4.83 4.81 -0.26 -1.59 118.16 107.89 2kyi n LYS 57 Ca -0.19 0.81 -0.40 0.00 -0.87 0.00 0.00 58.31 57.66 2kyi n LYS 57 Cb 0.59 -5.82 -0.03 0.00 0.02 0.00 0.00 35.03 29.79 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 -4.71 4.92 -4.77 3.14 4.32 0.38 -3.89 117.00 116.40 2kyi n LEU 58 Ca -0.09 -3.50 -0.38 0.00 -0.02 0.00 0.00 56.01 52.02 2kyi n LEU 58 Cb 0.59 -1.49 -0.02 0.00 -1.62 0.00 0.00 43.42 40.87 2kyi n LEU 58 CO 0.65 -0.07 0.83 -0.83 -1.22 0.00 0.00 177.39 176.75 2kyi s GLY 59 N 4.56 2.88 -0.16 -0.72 0.00 0.44 -4.76 107.32 109.56 2kyi s GLY 59 Ca 0.55 0.94 -0.23 0.00 0.00 0.00 0.00 44.72 45.99 2kyi s GLY 59 CO 0.05 1.46 0.50 1.19 0.00 0.00 0.00 173.10 176.30 2kyi h ILE 60 N 2.42 1.25 -3.04 0.90 -0.00 -1.84 0.54 117.51 117.74 2kyi h ILE 60 Ca -0.48 -2.30 -0.20 0.00 -0.00 0.00 0.00 64.86 61.88 2kyi h ILE 60 Cb 1.23 2.76 -0.04 0.00 -0.00 0.00 0.00 36.82 40.77 2kyi h ILE 60 CO 0.63 0.51 -0.23 0.29 -0.00 0.00 0.00 178.15 179.36 2kyi n LYS 61 N -4.36 -1.91 -3.78 2.19 5.02 -1.26 -4.39 118.16 109.67 2kyi n LYS 61 Ca -0.23 0.52 -0.12 0.00 -2.02 0.00 0.00 58.31 56.47 2kyi n LYS 61 Cb 0.67 -4.95 -0.08 0.00 -0.02 0.00 0.00 35.03 30.66 2kyi n LYS 61 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kyi s HIS 62 N -2.23 -0.08 -0.98 2.13 2.46 -1.26 -5.05 115.29 110.27 2kyi s HIS 62 Ca 0.00 -0.02 -0.22 0.00 0.47 0.00 0.00 55.06 55.28 2kyi s HIS 62 Cb 0.00 0.07 -0.12 0.00 -0.13 0.00 0.00 32.58 32.40 2kyi s HIS 62 CO 0.00 -0.46 1.92 1.28 -2.47 0.00 0.00 174.74 175.01 2kyi n LEU 63 N 0.77 3.62 0.00 8.88 4.32 -1.26 -4.86 117.00 128.46 2kyi n LEU 63 Ca -0.19 -3.05 0.00 0.00 -0.02 0.00 0.00 56.01 52.74 2kyi n LEU 63 Cb 0.58 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 2kyi n LEU 63 CO 0.21 -1.06 0.00 0.47 -1.22 0.00 0.00 177.39 175.80 2kyi n ASP 64 N 10.82 0.00 -0.02 -1.43 8.00 -1.26 -2.89 116.55 129.77 2kyi n ASP 64 Ca 0.47 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.95 2kyi n ASP 64 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.38 0.00 0.64 0.00 -1.26 -4.54 117.00 112.21 2kyi n LEU 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2kyi n LEU 65 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.48 2kyi n LEU 65 CO 0.00 0.15 0.00 1.17 0.00 0.00 0.00 177.39 178.71 2kyi n LYS 66 N -2.20 0.00 0.14 1.96 4.81 -1.14 -2.95 118.16 118.77 2kyi n LYS 66 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2kyi n LYS 66 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 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 0.15 3.00 -2.31 3.14 0.00 -1.26 -5.00 120.51 118.23 2kyi n ALA 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2kyi n ALA 67 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.51 1.03 3.29 0.00 0.00 -1.24 -4.97 105.19 104.80 2kyi n GLY 68 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.28 1.18 -0.00 1.61 -0.21 -1.15 -0.27 119.66 120.53 2kyi s GLN 69 Ca 0.11 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 53.98 2kyi s GLN 69 Cb 0.20 -0.81 0.00 0.00 1.00 0.00 0.00 33.01 33.39 2kyi s GLN 69 CO -0.06 0.11 -0.02 0.54 -2.12 0.00 0.00 175.29 173.74 2kyi s VAL 70 N -3.19 0.15 -0.21 1.09 0.11 -0.14 -4.40 120.40 113.80 2kyi s VAL 70 Ca 0.19 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2kyi s VAL 70 Cb 0.01 -0.15 0.07 0.00 -1.53 0.00 0.00 36.38 34.79 2kyi s VAL 70 CO 0.03 0.06 0.09 -0.70 -3.33 0.00 0.00 175.10 171.25 2kyi s GLU 71 N 0.10 0.25 0.03 1.54 2.12 -1.26 -0.87 118.70 120.60 2kyi s GLU 71 Ca -0.01 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.05 2kyi s GLU 71 Cb -0.02 -1.74 -0.02 0.00 0.26 0.00 0.00 34.13 32.61 2kyi s GLU 71 CO -0.00 -0.77 -0.12 0.08 -0.54 0.00 0.00 175.26 173.91 2kyi s VAL 72 N 2.04 0.96 0.32 3.70 1.01 0.01 -4.55 120.40 123.89 2kyi s VAL 72 Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2kyi s VAL 72 Cb -0.16 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 2kyi s VAL 72 CO -0.16 0.02 0.06 -1.83 0.00 0.00 0.00 175.10 173.18 2kyi s GLU 73 N -0.95 1.63 0.00 2.72 4.04 0.18 -0.38 118.70 125.93 2kyi s GLU 73 Ca 0.01 -1.90 0.00 0.00 0.04 0.00 0.00 54.97 53.12 2kyi s GLU 73 Cb -0.07 -0.82 0.00 0.00 0.02 0.00 0.00 34.13 33.26 2kyi s GLU 73 CO 0.01 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.65 2kyi n GLY 74 N -0.66 0.87 3.44 -3.83 0.00 -0.75 -0.42 105.19 103.83 2kyi n GLY 74 Ca -0.02 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 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 5.26 0.07 0.99 1.43 -0.62 -0.39 118.68 125.42 2kyi s LEU 75 Ca 0.00 -2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 49.95 2kyi s LEU 75 Cb 0.00 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2kyi s LEU 75 CO 0.00 -0.76 1.09 0.27 0.23 0.00 0.00 176.35 177.18 2kyi s ILE 76 N 1.45 4.32 -0.21 -0.59 -4.36 -1.26 -0.59 121.20 119.96 2kyi s ILE 76 Ca 0.38 1.74 -0.08 0.00 -0.26 0.00 0.00 60.65 62.43 2kyi s ILE 76 Cb -0.04 -4.12 -0.20 0.00 1.25 0.00 0.00 42.46 39.36 2kyi s ILE 76 CO -0.03 0.18 0.03 -0.67 0.24 0.00 0.00 174.94 174.69 2kyi n ASP 77 N 3.51 2.00 -3.52 4.36 2.03 0.23 -4.90 116.55 120.25 2kyi n ASP 77 Ca 0.06 0.17 -0.12 0.00 0.52 0.00 0.00 54.79 55.42 2kyi n ASP 77 Cb 0.48 -0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.50 -1.35 -0.02 -1.67 0.00 -1.02 -4.99 121.76 110.21 2kyi s ALA 78 Ca -0.30 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2kyi s ALA 78 Cb 0.09 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 2kyi s ALA 78 CO 0.63 -0.65 -0.17 -0.51 0.00 0.00 0.00 175.76 175.07 2kyi s LEU 79 N -2.50 1.99 -0.05 0.00 1.43 -1.26 -0.67 118.68 117.62 2kyi s LEU 79 Ca -0.01 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2kyi s LEU 79 Cb -0.00 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.36 2kyi s LEU 79 CO -0.09 0.19 -0.04 -0.69 0.23 0.00 0.00 176.35 175.95 2kyi s VAL 80 N -0.26 0.50 -0.15 -1.59 1.01 -0.45 -4.99 120.40 114.47 2kyi s VAL 80 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2kyi s VAL 80 Cb -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2kyi s VAL 80 CO 0.00 0.23 -0.20 -0.31 0.00 0.00 0.00 175.10 174.82 2kyi s TYR 81 N 1.10 2.72 -0.08 5.22 2.02 -1.26 -0.76 117.35 126.31 2kyi s TYR 81 Ca -0.08 -1.38 -0.18 0.00 -0.37 0.00 0.00 57.07 55.06 2kyi s TYR 81 Cb -0.14 -1.86 -0.14 0.00 -0.40 0.00 0.00 41.96 39.42 2kyi s TYR 81 CO -0.01 -0.65 0.65 -1.35 -1.57 0.00 0.00 175.55 172.62 2kyi h PRO 82 N 7.50 -0.14 -5.58 -1.71 0.11 -2.01 -3.49 132.00 126.68 2kyi h PRO 82 Ca -0.36 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 2kyi h PRO 82 Cb 1.18 0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2kyi h PRO 82 CO 0.58 0.31 -0.21 -0.11 -0.21 0.00 0.00 178.00 178.36 2kyi n LEU 83 N -4.84 -6.00 -0.84 2.35 -0.00 -1.26 -4.86 117.00 101.56 2kyi n LEU 83 Ca -0.06 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.70 2kyi n LEU 83 Cb 0.25 -3.06 0.00 0.00 -0.00 0.00 0.00 43.42 40.61 2kyi n LEU 83 CO 0.21 -0.83 -0.25 1.21 -0.00 0.00 0.00 177.39 177.73 2kyi n GLU 84 N -2.00 -2.28 -1.13 1.96 2.13 -1.26 -4.54 120.64 113.51 2kyi n GLU 84 Ca -0.05 1.74 -0.20 0.00 0.66 0.00 0.00 57.16 59.31 2kyi n GLU 84 Cb 0.53 -2.09 -0.13 0.00 0.27 0.00 0.00 31.44 30.03 2kyi n GLU 84 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kyi n HIS 85 N -1.62 0.75 1.74 4.31 8.25 -1.26 -4.35 115.22 123.04 2kyi n HIS 85 Ca 0.00 -1.94 0.15 0.00 -0.26 0.00 0.00 57.72 55.67 2kyi n HIS 85 Cb 0.15 -1.80 0.78 0.00 1.12 0.00 0.00 29.99 30.24 2kyi n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kyi n HIS 86 N 2.62 0.00 -3.80 4.41 -0.00 -1.26 -4.79 115.22 112.40 2kyi n HIS 86 Ca 0.52 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.34 2kyi n HIS 86 Cb 0.71 -0.05 -0.07 0.00 -0.12 0.00 0.00 29.99 30.47 2kyi n HIS 86 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kyi s HIS 87 N -2.12 3.55 -0.20 1.57 3.76 -1.26 -4.98 115.29 115.61 2kyi s HIS 87 Ca 0.41 0.51 0.20 0.00 -0.15 0.00 0.00 55.06 56.03 2kyi s HIS 87 Cb 0.21 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 2kyi s HIS 87 CO 0.39 0.59 1.01 0.45 -0.85 0.00 0.00 174.74 176.33 2kyi h HIS 88 N 5.48 0.00 -3.38 1.40 3.86 -2.00 -3.45 115.15 117.06 2kyi h HIS 88 Ca -0.51 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.15 2kyi h HIS 88 Cb 1.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.63 2kyi h HIS 88 CO 0.70 0.23 0.09 -1.58 0.86 0.00 0.00 177.93 178.24 2kyi s HIS 89 N -3.18 3.74 0.00 2.45 5.65 -1.26 -5.27 115.29 117.42 2kyi s HIS 89 Ca -0.01 1.39 0.00 0.00 0.25 0.00 0.00 55.06 56.69 2kyi s HIS 89 Cb 0.09 -2.73 0.00 0.00 -1.18 0.00 0.00 32.58 28.76 2kyi s HIS 89 CO 0.79 0.34 0.07 -2.39 -0.65 0.00 0.00 174.74 172.90