#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 -1.43 0.00 7.83 2.15 -1.26 -4.96 116.67 119.00 2kyi s ASP 21 Ca 0.00 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.23 2kyi s ASP 21 Cb 0.00 1.83 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 2kyi s ASP 21 CO 0.00 -0.16 0.00 -3.20 -0.17 0.00 0.00 175.17 171.64 2kyi n ASN 22 N 4.32 0.00 -4.54 -0.34 2.85 -1.26 -5.10 115.26 111.18 2kyi n ASN 22 Ca 0.11 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.15 2kyi n ASN 22 Cb 0.58 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.55 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 -0.09 1.40 -3.95 1.20 1.74 -1.26 -4.43 116.66 111.27 2kyi n ARG 23 Ca 0.00 0.30 -0.23 0.00 -0.77 0.00 0.00 57.85 57.15 2kyi n ARG 23 Cb 0.00 -3.02 -0.06 0.00 -1.02 0.00 0.00 32.46 28.36 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 6.99 2.36 -0.14 5.56 -0.21 -0.45 -4.83 119.66 128.92 2kyi s GLN 24 Ca 1.04 -1.68 0.01 0.00 0.02 0.00 0.00 55.36 54.75 2kyi s GLN 24 Cb -0.46 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.42 2kyi s GLN 24 CO 0.37 -0.09 -0.17 0.12 -2.12 0.00 0.00 175.29 173.40 2kyi s PHE 25 N -2.52 2.31 -0.11 0.91 5.36 -1.26 -1.84 117.98 120.82 2kyi s PHE 25 Ca 0.42 -1.25 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 2kyi s PHE 25 Cb 0.00 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 2kyi s PHE 25 CO 0.24 -0.64 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.02 2kyi s LEU 26 N 1.23 1.84 -0.19 6.12 2.96 0.80 -4.99 118.68 126.46 2kyi s LEU 26 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2kyi s LEU 26 Cb -0.14 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.40 2kyi s LEU 26 CO -0.08 0.05 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.29 2kyi s SER 27 N 0.86 3.30 -0.17 3.68 0.15 -1.26 0.23 113.70 120.49 2kyi s SER 27 Ca -0.09 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.77 2kyi s SER 27 Cb -0.15 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2kyi s SER 27 CO -0.00 -0.06 -0.09 -0.22 1.20 0.00 0.00 173.24 174.07 2kyi s LEU 28 N 1.31 2.83 -0.30 3.45 2.96 0.31 -4.97 118.68 124.27 2kyi s LEU 28 Ca 0.02 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2kyi s LEU 28 Cb -0.15 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2kyi s LEU 28 CO -0.11 0.09 0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 2kyi s THR 29 N 0.80 3.76 0.00 3.68 2.01 -1.26 -0.80 115.64 123.83 2kyi s THR 29 Ca -0.03 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2kyi s THR 29 Cb -0.15 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2kyi s THR 29 CO 0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2kyi n GLY 30 N 4.82 0.10 3.66 4.40 0.00 0.53 -4.94 105.19 113.75 2kyi n GLY 30 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.13 5.34 -0.70 1.61 1.01 0.32 -2.41 120.40 125.45 2kyi s VAL 31 Ca 0.00 0.24 0.21 0.00 0.00 0.00 0.00 61.98 62.43 2kyi s VAL 31 Cb 0.00 -3.52 -0.26 0.00 0.00 0.00 0.00 36.38 32.59 2kyi s VAL 31 CO 0.00 0.34 0.77 -1.54 0.00 0.00 0.00 175.10 174.66 2kyi n SER 32 N 4.30 0.71 -3.64 3.32 3.41 -0.13 -4.53 113.62 117.06 2kyi n SER 32 Ca -0.14 -0.70 -0.02 0.00 -0.26 0.00 0.00 58.87 57.75 2kyi n SER 32 Cb 0.52 1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 65.73 2kyi n SER 32 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2kyi s LYS 33 N -3.14 0.08 -0.15 4.33 2.20 -0.31 -5.02 119.74 117.73 2kyi s LYS 33 Ca 0.03 0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2kyi s LYS 33 Cb 0.15 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2kyi s LYS 33 CO 0.87 -0.03 0.04 0.54 -0.36 0.00 0.00 175.35 176.42 2kyi s VAL 34 N -1.29 4.60 -0.14 4.02 0.11 -1.26 0.33 120.40 126.77 2kyi s VAL 34 Ca 0.09 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.93 2kyi s VAL 34 Cb -0.01 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.78 2kyi s VAL 34 CO -0.06 0.52 -0.19 0.00 -3.33 0.00 0.00 175.10 172.04 2kyi n GLN 35 N 2.99 0.45 -4.24 1.54 6.02 0.07 -4.88 117.38 119.33 2kyi n GLN 35 Ca -0.18 0.50 -0.19 0.00 -0.01 0.00 0.00 57.00 57.12 2kyi n GLN 35 Cb 0.53 -1.66 -0.16 0.00 1.02 0.00 0.00 30.24 29.98 2kyi n GLN 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kyi s SER 36 N -5.71 0.94 -0.35 1.08 0.01 -1.19 -5.01 113.70 103.47 2kyi s SER 36 Ca -0.16 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2kyi s SER 36 Cb 0.02 -0.32 0.08 0.00 0.21 0.00 0.00 66.02 66.01 2kyi s SER 36 CO 0.23 0.01 0.09 0.12 0.41 0.00 0.00 173.24 174.10 2kyi s PHE 37 N 0.45 3.43 -0.04 2.43 5.36 -1.26 -0.89 117.98 127.46 2kyi s PHE 37 Ca -0.06 -2.16 0.04 0.00 -0.96 0.00 0.00 56.93 53.79 2kyi s PHE 37 Cb -0.10 -2.63 -0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2kyi s PHE 37 CO 0.00 -0.88 -0.17 0.34 -1.46 0.00 0.00 175.22 173.06 2kyi s ASP 38 N 1.46 2.09 0.58 6.13 -1.08 -1.06 -5.02 116.67 119.78 2kyi s ASP 38 Ca 0.02 -0.34 0.30 0.00 -0.52 0.00 0.00 52.55 52.00 2kyi s ASP 38 Cb -0.21 -0.56 1.62 0.00 -1.46 0.00 0.00 42.92 42.31 2kyi s ASP 38 CO -0.03 0.15 1.90 -0.65 0.52 0.00 0.00 175.17 177.06 2kyi h PRO 39 N 6.24 0.00 -0.01 4.34 0.11 -1.95 -0.43 132.00 140.30 2kyi h PRO 39 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2kyi h PRO 39 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kyi h PRO 39 CO 0.48 0.00 -0.23 1.63 -0.21 0.00 0.00 178.00 179.67 2kyi n LYS 40 N -2.74 2.31 -3.15 1.05 5.02 -1.26 -1.62 118.16 117.77 2kyi n LYS 40 Ca -0.02 -0.52 0.05 0.00 -2.02 0.00 0.00 58.31 55.79 2kyi n LYS 40 Cb 0.27 -1.06 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.39 0.34 -0.15 1.97 2.12 -0.17 -0.83 118.70 120.58 2kyi s GLU 41 Ca 0.08 0.60 -0.05 0.00 0.36 0.00 0.00 54.97 55.96 2kyi s GLU 41 Cb 0.08 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2kyi s GLU 41 CO 0.26 -0.38 0.01 0.42 -0.54 0.00 0.00 175.26 175.03 2kyi s ILE 42 N 2.92 4.31 -0.43 -3.70 1.01 0.14 -2.55 121.20 122.90 2kyi s ILE 42 Ca 0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2kyi s ILE 42 Cb -0.12 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.52 2kyi s ILE 42 CO -0.15 0.51 0.31 -0.76 0.00 0.00 0.00 174.94 174.85 2kyi s LEU 43 N 0.05 5.28 -0.23 2.97 1.43 -0.07 -0.98 118.68 127.14 2kyi s LEU 43 Ca 0.02 -1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 51.75 2kyi s LEU 43 Cb -0.13 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2kyi s LEU 43 CO 0.02 -0.55 0.12 -0.76 0.23 0.00 0.00 176.35 175.41 2kyi s LEU 44 N 1.57 3.89 -0.64 1.79 1.43 -0.00 -0.75 118.68 125.96 2kyi s LEU 44 Ca 0.03 0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 2kyi s LEU 44 Cb -0.23 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.03 2kyi s LEU 44 CO 0.06 0.06 0.94 -0.70 0.23 0.00 0.00 176.35 176.93 2kyi s GLU 45 N 1.10 3.13 0.17 1.70 -6.30 0.15 -0.04 118.70 118.61 2kyi s GLU 45 Ca 0.06 -0.81 0.03 0.00 -2.50 0.00 0.00 54.97 51.75 2kyi s GLU 45 Cb -0.14 -4.21 0.03 0.00 0.00 0.00 0.00 34.13 29.81 2kyi s GLU 45 CO 0.04 -1.76 0.23 0.25 0.02 0.00 0.00 175.26 174.04 2kyi n THR 46 N 5.92 0.00 -1.53 -1.70 -2.24 0.15 -0.95 114.28 113.92 2kyi n THR 46 Ca -0.04 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2kyi n THR 46 Cb 0.45 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.72 2kyi n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2kyi n ILE 47 N -1.37 -0.04 -3.89 2.28 5.41 -1.01 -1.96 119.36 118.78 2kyi n ILE 47 Ca 0.05 -0.52 -0.29 0.00 1.00 0.00 0.00 62.75 62.99 2kyi n ILE 47 Cb 0.17 -1.74 0.03 0.00 -0.71 0.00 0.00 39.64 37.39 2kyi n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kyi n GLN 48 N 8.38 -5.51 -3.60 0.38 1.13 -1.26 -4.94 117.38 111.96 2kyi n GLN 48 Ca 0.50 0.60 -0.09 0.00 -1.94 0.00 0.00 57.00 56.07 2kyi n GLN 48 Cb 0.35 -5.46 -0.05 0.00 0.11 0.00 0.00 30.24 25.19 2kyi n GLN 48 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2kyi s GLY 49 N -3.41 -0.18 -0.22 1.08 0.00 -0.83 -5.15 107.32 98.62 2kyi s GLY 49 Ca 0.60 2.31 -0.05 0.00 0.00 0.00 0.00 44.72 47.58 2kyi s GLY 49 CO 0.83 1.23 -0.01 0.14 0.00 0.00 0.00 173.10 175.29 2kyi s VAL 50 N -0.80 3.70 -0.25 1.40 1.01 -1.26 0.32 120.40 124.52 2kyi s VAL 50 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2kyi s VAL 50 Cb -0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kyi s VAL 50 CO -0.02 0.41 0.31 -0.22 0.00 0.00 0.00 175.10 175.59 2kyi s LEU 51 N 1.32 4.07 -0.44 3.92 2.96 0.94 -4.22 118.68 127.23 2kyi s LEU 51 Ca 0.04 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 2kyi s LEU 51 Cb -0.15 -2.34 0.04 0.00 0.50 0.00 0.00 46.19 44.25 2kyi s LEU 51 CO -0.00 -0.10 0.39 -0.44 -1.32 0.00 0.00 176.35 174.88 2kyi s SER 52 N 1.43 6.15 -0.36 3.68 0.01 0.11 -0.82 113.70 123.89 2kyi s SER 52 Ca 0.13 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 2kyi s SER 52 Cb -0.15 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2kyi s SER 52 CO 0.09 -0.59 0.23 -0.63 0.41 0.00 0.00 173.24 172.76 2kyi s ILE 53 N 1.83 5.03 0.04 1.44 1.01 -0.15 -1.14 121.20 129.26 2kyi s ILE 53 Ca 0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2kyi s ILE 53 Cb -0.21 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2kyi s ILE 53 CO 0.10 -0.11 0.17 -0.54 0.00 0.00 0.00 174.94 174.56 2kyi s LYS 54 N 1.66 3.32 0.00 2.79 1.02 0.02 -0.68 119.74 127.87 2kyi s LYS 54 Ca 0.05 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2kyi s LYS 54 Cb -0.18 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2kyi s LYS 54 CO 0.09 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 2kyi n GLY 55 N 0.57 -0.99 3.22 -3.33 0.00 -0.01 0.11 105.19 104.75 2kyi n GLY 55 Ca -0.08 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.01 2.41 -0.89 1.61 2.02 0.18 -4.12 118.70 118.91 2kyi s GLU 56 Ca 0.00 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.13 2kyi s GLU 56 Cb 0.00 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 2kyi s GLU 56 CO 0.00 0.30 0.74 1.17 0.02 0.00 0.00 175.26 177.49 2kyi n LYS 57 N 3.13 -1.51 -1.95 1.61 4.81 -0.65 -0.51 118.16 123.08 2kyi n LYS 57 Ca -0.18 1.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.90 2kyi n LYS 57 Cb 0.52 -4.91 0.00 0.00 0.02 0.00 0.00 35.03 30.67 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 -2.64 6.38 -4.63 3.14 4.32 -0.64 -4.04 117.00 118.89 2kyi n LEU 58 Ca -0.08 -4.10 -0.43 0.00 -0.02 0.00 0.00 56.01 51.39 2kyi n LEU 58 Cb 0.57 -1.68 -0.03 0.00 -1.62 0.00 0.00 43.42 40.66 2kyi n LEU 58 CO 0.59 0.88 1.58 -0.83 -1.22 0.00 0.00 177.39 178.38 2kyi s GLY 59 N 3.41 1.04 0.29 -0.72 0.00 -0.63 -4.74 107.32 105.98 2kyi s GLY 59 Ca 0.49 0.76 0.23 0.00 0.00 0.00 0.00 44.72 46.20 2kyi s GLY 59 CO -0.05 3.37 1.40 0.16 0.00 0.00 0.00 173.10 177.99 2kyi h ILE 60 N 6.35 0.00 0.00 0.90 3.07 -1.86 -0.24 117.51 125.73 2kyi h ILE 60 Ca -0.40 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.14 2kyi h ILE 60 Cb 1.20 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 2kyi h ILE 60 CO 0.98 0.00 0.00 1.17 -1.05 0.00 0.00 178.15 179.25 2kyi n LYS 61 N -2.73 0.00 -4.61 0.16 4.81 -1.26 -4.39 118.16 110.14 2kyi n LYS 61 Ca 0.03 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.24 2kyi n LYS 61 Cb 0.51 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.42 2kyi n LYS 61 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 2kyi s HIS 62 N 0.00 1.37 0.00 5.64 -3.43 -1.26 -5.08 115.29 112.53 2kyi s HIS 62 Ca 0.00 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 2kyi s HIS 62 Cb 0.00 -0.86 0.00 0.00 -1.43 0.00 0.00 32.58 30.29 2kyi s HIS 62 CO 0.00 0.00 0.00 -0.11 -2.00 0.00 0.00 174.74 172.63 2kyi n LEU 63 N 2.41 0.74 0.00 5.38 7.94 -1.26 -4.69 117.00 127.53 2kyi n LEU 63 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2kyi n LEU 63 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2kyi n LEU 63 CO 0.24 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.99 2kyi n ASP 64 N -0.66 -0.37 0.00 1.96 9.92 -1.26 -4.91 116.55 121.22 2kyi n ASP 64 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 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 0.00 0.00 0.64 7.94 -1.26 -5.05 117.00 119.27 2kyi n LEU 65 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kyi n LEU 65 Cb 0.00 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2kyi n LEU 65 CO 0.00 -0.11 0.00 0.29 -1.11 0.00 0.00 177.39 176.46 2kyi n LYS 66 N -1.28 0.00 0.04 1.96 5.02 -1.26 -0.10 118.16 122.54 2kyi n LYS 66 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2kyi n LYS 66 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.17 2kyi n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kyi n ALA 67 N 6.84 3.11 -0.32 7.82 0.00 -1.26 -4.94 120.51 131.76 2kyi n ALA 67 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kyi n ALA 67 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.37 1.44 3.59 0.00 0.00 0.85 -4.63 105.19 107.82 2kyi n GLY 68 Ca 0.03 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.20 3.89 0.02 1.61 -2.07 -1.24 -0.35 119.66 120.31 2kyi s GLN 69 Ca 0.00 -0.39 0.06 0.00 -1.82 0.00 0.00 55.36 53.21 2kyi s GLN 69 Cb 0.00 -3.17 -0.02 0.00 -1.09 0.00 0.00 33.01 28.73 2kyi s GLN 69 CO 0.00 0.22 -0.17 0.54 -1.32 0.00 0.00 175.29 174.56 2kyi s VAL 70 N 0.50 1.34 -0.01 3.63 0.11 0.02 -4.84 120.40 121.15 2kyi s VAL 70 Ca 0.02 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.20 2kyi s VAL 70 Cb -0.13 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2kyi s VAL 70 CO 0.01 0.20 -0.23 -1.83 -3.33 0.00 0.00 175.10 169.92 2kyi s GLU 71 N -0.86 1.83 -0.02 1.54 -1.05 -1.26 -0.53 118.70 118.35 2kyi s GLU 71 Ca 0.05 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 54.03 2kyi s GLU 71 Cb -0.07 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.82 2kyi s GLU 71 CO 0.01 0.49 -0.06 0.14 0.95 0.00 0.00 175.26 176.78 2kyi s VAL 72 N -0.59 0.58 -0.04 1.83 -7.23 0.13 -4.10 120.40 110.98 2kyi s VAL 72 Ca 0.09 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 2kyi s VAL 72 Cb -0.09 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.33 2kyi s VAL 72 CO -0.00 0.19 -0.09 -1.83 -0.31 0.00 0.00 175.10 173.06 2kyi s GLU 73 N 0.23 1.12 0.00 4.82 -1.05 -0.10 -0.14 118.70 123.57 2kyi s GLU 73 Ca -0.03 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2kyi s GLU 73 Cb -0.07 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.60 2kyi s GLU 73 CO 0.00 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.68 2kyi n GLY 74 N 3.56 -0.87 2.91 -3.83 0.00 -0.77 -1.60 105.19 104.60 2kyi n GLY 74 Ca -0.21 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 6.53 -4.77 0.99 7.99 0.34 -1.34 117.00 126.74 2kyi n LEU 75 Ca 0.00 -4.59 -0.39 0.00 -0.01 0.00 0.00 56.01 51.02 2kyi n LEU 75 Cb 0.00 -1.50 -0.01 0.00 -0.11 0.00 0.00 43.42 41.80 2kyi n LEU 75 CO 0.00 1.30 0.92 0.27 -1.51 0.00 0.00 177.39 178.36 2kyi s ILE 76 N 0.68 2.80 -0.16 -0.08 -4.36 -1.26 0.51 121.20 119.34 2kyi s ILE 76 Ca 0.40 0.70 -0.12 0.00 -0.26 0.00 0.00 60.65 61.37 2kyi s ILE 76 Cb 0.09 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.35 2kyi s ILE 76 CO -0.00 0.09 -0.21 0.47 0.24 0.00 0.00 174.94 175.53 2kyi n ASP 77 N 0.10 1.85 -3.48 4.36 8.00 0.29 -4.81 116.55 122.85 2kyi n ASP 77 Ca 0.04 0.55 -0.14 0.00 0.71 0.00 0.00 54.79 55.95 2kyi n ASP 77 Cb 0.45 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 2kyi n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kyi s ALA 78 N -2.76 -1.72 -0.22 2.24 0.00 -1.06 -4.98 121.76 113.26 2kyi s ALA 78 Ca -0.19 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 2kyi s ALA 78 Cb 0.03 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2kyi s ALA 78 CO 0.29 -0.57 -0.10 -0.51 0.00 0.00 0.00 175.76 174.87 2kyi s LEU 79 N -2.00 2.78 -0.11 0.00 2.01 -1.26 -0.80 118.68 119.30 2kyi s LEU 79 Ca -0.03 -0.64 -0.00 0.00 0.01 0.00 0.00 54.13 53.47 2kyi s LEU 79 Cb -0.01 -1.64 0.02 0.00 0.01 0.00 0.00 46.19 44.58 2kyi s LEU 79 CO -0.03 -0.05 -0.08 -0.69 1.01 0.00 0.00 176.35 176.51 2kyi s VAL 80 N 1.37 1.04 0.27 -1.59 1.01 -0.29 -4.99 120.40 117.22 2kyi s VAL 80 Ca 0.04 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2kyi s VAL 80 Cb -0.15 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2kyi s VAL 80 CO -0.07 0.37 0.31 -0.31 0.00 0.00 0.00 175.10 175.40 2kyi s TYR 81 N 1.60 3.20 -0.73 5.22 2.02 -1.26 0.07 117.35 127.47 2kyi s TYR 81 Ca 0.03 -0.12 -0.26 0.00 -0.37 0.00 0.00 57.07 56.35 2kyi s TYR 81 Cb -0.13 -1.61 -0.11 0.00 -0.40 0.00 0.00 41.96 39.71 2kyi s TYR 81 CO -0.07 0.36 2.35 -2.14 -1.57 0.00 0.00 175.55 174.48 2kyi s PRO 82 N -3.96 1.83 -0.42 -1.71 0.02 -1.26 -4.87 135.00 124.62 2kyi s PRO 82 Ca 0.36 0.62 -0.27 0.00 0.02 0.00 0.00 61.00 61.73 2kyi s PRO 82 Cb -0.08 -4.75 -0.05 0.00 0.02 0.00 0.00 34.50 29.63 2kyi s PRO 82 CO 0.28 -4.04 2.22 -1.17 -0.33 0.00 0.00 177.00 173.96 2kyi s LEU 83 N 13.61 3.41 -1.46 -5.54 2.96 -1.26 -1.47 118.68 128.92 2kyi s LEU 83 Ca 0.91 1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 55.93 2kyi s LEU 83 Cb -0.13 -2.87 0.05 0.00 0.50 0.00 0.00 46.19 43.73 2kyi s LEU 83 CO 0.11 -2.46 0.81 -0.62 -1.32 0.00 0.00 176.35 172.87 2kyi n GLU 84 N 8.92 -5.33 -0.28 1.98 4.71 -1.26 -0.89 120.64 128.49 2kyi n GLU 84 Ca 0.31 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 58.16 2kyi n GLU 84 Cb 0.51 -5.58 0.00 0.00 -1.01 0.00 0.00 31.44 25.37 2kyi n GLU 84 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kyi n HIS 85 N -4.54 0.00 -1.97 -0.32 -0.00 -0.54 -4.90 115.22 102.95 2kyi n HIS 85 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.28 2kyi n HIS 85 Cb 0.56 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.99 30.14 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 -2.00 3.74 0.00 1.57 -0.00 -0.07 -3.18 115.22 115.28 2kyi n HIS 86 Ca 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 57.72 54.92 2kyi n HIS 86 Cb 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.46 2kyi n HIS 86 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kyi n HIS 87 N 7.22 0.00 -3.98 1.57 -0.00 -1.26 -4.23 115.22 114.54 2kyi n HIS 87 Ca 0.51 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.94 2kyi n HIS 87 Cb 0.42 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.24 2kyi n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kyi s HIS 88 N -0.16 1.87 -0.64 1.57 5.04 -1.19 -4.90 115.29 116.88 2kyi s HIS 88 Ca 0.00 -1.01 -0.06 0.00 -1.54 0.00 0.00 55.06 52.45 2kyi s HIS 88 Cb 0.00 -1.44 0.01 0.00 0.04 0.00 0.00 32.58 31.19 2kyi s HIS 88 CO 0.00 -0.60 0.67 1.58 -2.34 0.00 0.00 174.74 174.04 2kyi n HIS 89 N 4.84 -3.14 0.70 3.88 -0.00 -1.26 -5.05 115.22 115.19 2kyi n HIS 89 Ca -0.15 1.22 0.08 0.00 -0.00 0.00 0.00 57.72 58.88 2kyi n HIS 89 Cb 0.50 -4.07 0.07 0.00 -0.00 0.00 0.00 29.99 26.49 2kyi n HIS 89 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92