#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9z s VAL 3 N 0.00 4.25 -0.75 -0.18 1.01 -1.26 -1.20 120.40 122.27 2i9z s VAL 3 Ca 0.00 0.94 0.22 0.00 0.00 0.00 0.00 61.98 63.14 2i9z s VAL 3 Cb 0.00 -4.58 -0.19 0.00 0.00 0.00 0.00 36.38 31.61 2i9z s VAL 3 CO 0.00 -1.05 0.92 0.35 0.00 0.00 0.00 175.10 175.32 2i9z n THR 4 N 6.64 0.05 -3.64 3.92 -2.24 0.41 -4.94 114.28 114.47 2i9z n THR 4 Ca 0.09 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 2i9z n THR 4 Cb 0.49 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 2i9z n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i9z s ASP 5 N -3.48 -0.56 -0.05 3.42 2.15 -1.21 -4.96 116.67 111.99 2i9z s ASP 5 Ca 0.05 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2i9z s ASP 5 Cb 0.15 0.87 0.03 0.00 -0.30 0.00 0.00 42.92 43.67 2i9z s ASP 5 CO 0.84 -0.36 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.78 2i9z s VAL 6 N -0.38 0.35 -0.10 1.11 1.01 -1.26 -1.10 120.40 120.03 2i9z s VAL 6 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2i9z s VAL 6 Cb -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2i9z s VAL 6 CO 0.04 0.20 -0.22 -0.60 0.00 0.00 0.00 175.10 174.53 2i9z s ARG 7 N 1.26 2.79 0.05 2.72 6.06 0.30 -4.99 118.95 127.14 2i9z s ARG 7 Ca -0.06 -0.79 -0.10 0.00 -2.50 0.00 0.00 55.73 52.28 2i9z s ARG 7 Cb -0.13 -2.14 0.01 0.00 0.06 0.00 0.00 34.95 32.74 2i9z s ARG 7 CO -0.02 0.13 0.22 -0.48 -2.50 0.00 0.00 175.30 172.66 2i9z s LEU 8 N 0.45 1.24 -0.11 -0.88 0.05 -1.26 -0.20 118.68 117.96 2i9z s LEU 8 Ca -0.17 -0.38 0.03 0.00 0.05 0.00 0.00 54.13 53.66 2i9z s LEU 8 Cb -0.17 1.09 0.01 0.00 -2.05 0.00 0.00 46.19 45.06 2i9z s LEU 8 CO 0.07 -0.61 -0.20 0.00 -0.55 0.00 0.00 176.35 175.05 2i9z s ARG 9 N -2.86 2.75 0.10 1.48 1.70 -0.89 -5.01 118.95 116.22 2i9z s ARG 9 Ca -0.03 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 2i9z s ARG 9 Cb 0.00 -2.18 -0.06 0.00 -0.57 0.00 0.00 34.95 32.14 2i9z s ARG 9 CO -0.05 0.05 1.15 0.15 -1.08 0.00 0.00 175.30 175.52 2i9z s LYS 10 N 0.67 4.49 -0.05 3.89 1.02 -1.26 -2.95 119.74 125.56 2i9z s LYS 10 Ca -0.12 1.74 -0.18 0.00 0.02 0.00 0.00 55.97 57.43 2i9z s LYS 10 Cb -0.16 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 2i9z s LYS 10 CO 0.02 -0.13 0.48 0.42 -0.92 0.00 0.00 175.35 175.23 2i9z s ILE 11 N 0.57 5.05 -0.59 2.17 1.09 -0.87 -4.99 121.20 123.64 2i9z s ILE 11 Ca 0.55 0.99 -0.28 0.00 -1.10 0.00 0.00 60.65 60.81 2i9z s ILE 11 Cb -0.29 -3.81 0.01 0.00 -1.06 0.00 0.00 42.46 37.31 2i9z s ILE 11 CO 0.31 0.44 1.43 0.00 -0.10 0.00 0.00 174.94 177.03 2i9z s GLN 12 N -0.18 3.24 -0.06 2.79 -2.07 -1.26 -4.89 119.66 117.23 2i9z s GLN 12 Ca 0.26 0.39 -0.29 0.00 -1.82 0.00 0.00 55.36 53.90 2i9z s GLN 12 Cb -0.16 -4.15 0.06 0.00 -1.09 0.00 0.00 33.01 27.67 2i9z s GLN 12 CO 0.13 -2.02 0.64 -0.08 -1.32 0.00 0.00 175.29 172.64 2i9z s THR 13 N 6.24 0.01 -2.44 3.63 -1.32 -1.26 -4.96 115.64 115.54 2i9z s THR 13 Ca 0.51 -0.05 0.24 0.00 -1.21 0.00 0.00 61.69 61.18 2i9z s THR 13 Cb -0.11 -0.95 0.46 0.00 -1.51 0.00 0.00 72.50 70.40 2i9z s THR 13 CO 0.23 -0.03 1.58 -0.90 -2.21 0.00 0.00 174.62 173.29 2i9z n ASP 14 N 1.10 1.90 -4.80 8.08 5.68 -1.26 -4.94 116.55 122.32 2i9z n ASP 14 Ca -0.19 -1.69 -0.30 0.00 -0.50 0.00 0.00 54.79 52.11 2i9z n ASP 14 Cb 0.57 -0.07 0.09 0.00 -1.14 0.00 0.00 41.12 40.56 2i9z n ASP 14 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2i9z s GLY 15 N -1.75 1.63 -1.46 6.12 0.00 -1.26 -5.17 107.32 105.42 2i9z s GLY 15 Ca 0.35 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 2i9z s GLY 15 CO 0.30 0.29 2.37 0.54 0.00 0.00 0.00 173.10 176.60 2i9z n ARG 16 N -3.44 3.32 0.00 2.90 1.74 -1.26 -4.92 116.66 115.01 2i9z n ARG 16 Ca 0.07 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 2i9z n ARG 16 Cb 0.56 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 2i9z n ARG 16 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2i9z n LYS 18 N 4.77 0.00 -3.63 5.56 4.01 0.13 -0.25 118.16 128.74 2i9z n LYS 18 Ca 0.58 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 58.31 2i9z n LYS 18 Cb 0.33 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.79 2i9z n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2i9z s ALA 19 N 0.00 -2.05 -0.10 7.82 0.00 -1.17 -2.05 121.76 124.21 2i9z s ALA 19 Ca 0.00 1.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 2i9z s ALA 19 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2i9z s ALA 19 CO 0.00 -0.22 0.25 -1.17 0.00 0.00 0.00 175.76 174.62 2i9z s LEU 20 N -0.33 4.37 -0.01 0.00 1.98 -1.15 -1.23 118.68 122.32 2i9z s LEU 20 Ca 0.04 0.60 0.01 0.00 -2.89 0.00 0.00 54.13 51.90 2i9z s LEU 20 Cb -0.03 -2.28 -0.00 0.00 0.66 0.00 0.00 46.19 44.54 2i9z s LEU 20 CO -0.07 0.31 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.96 2i9z s VAL 21 N -0.66 0.38 0.02 1.68 1.01 -0.33 -2.09 120.40 120.41 2i9z s VAL 21 Ca 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2i9z s VAL 21 Cb -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2i9z s VAL 21 CO 0.06 0.12 -0.25 -0.44 0.00 0.00 0.00 175.10 174.58 2i9z s SER 22 N -0.00 3.02 0.03 3.32 0.01 0.72 -1.22 113.70 119.58 2i9z s SER 22 Ca 0.01 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2i9z s SER 22 Cb -0.03 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 2i9z s SER 22 CO -0.00 0.27 -0.16 0.27 0.41 0.00 0.00 173.24 174.03 2i9z s ILE 23 N -0.71 1.25 -0.14 1.44 -4.36 -0.31 -0.54 121.20 117.83 2i9z s ILE 23 Ca 0.10 -1.01 -0.03 0.00 -0.26 0.00 0.00 60.65 59.46 2i9z s ILE 23 Cb -0.10 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.47 2i9z s ILE 23 CO 0.01 0.09 -0.03 -0.89 0.24 0.00 0.00 174.94 174.35 2i9z s THR 24 N -0.78 3.95 -0.24 8.37 2.01 -0.25 -0.42 115.64 128.28 2i9z s THR 24 Ca 0.03 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2i9z s THR 24 Cb -0.08 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2i9z s THR 24 CO 0.01 0.52 0.13 -0.76 -0.69 0.00 0.00 174.62 173.84 2i9z s LEU 25 N 0.04 3.91 -1.13 4.42 1.43 0.35 -0.44 118.68 127.25 2i9z s LEU 25 Ca 0.01 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2i9z s LEU 25 Cb -0.13 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2i9z s LEU 25 CO 0.03 0.04 0.26 0.47 0.23 0.00 0.00 176.35 177.37 2i9z n ASP 26 N 4.46 -3.75 -1.48 2.29 8.00 -0.34 -1.31 116.55 124.42 2i9z n ASP 26 Ca -0.15 -0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.07 2i9z n ASP 26 Cb 0.52 -3.14 -0.08 0.00 -0.02 0.00 0.00 41.12 38.39 2i9z n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i9z n GLU 27 N -3.28 -1.48 0.00 -1.24 1.02 -1.26 -4.80 120.64 109.59 2i9z n GLU 27 Ca -0.07 1.15 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 2i9z n GLU 27 Cb 0.57 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 2i9z n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i9z n ALA 28 N 1.29 1.15 -3.67 0.62 0.00 -0.43 -5.05 120.51 114.42 2i9z n ALA 28 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2i9z n ALA 28 Cb 0.66 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 20.01 2i9z n ALA 28 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2i9z s PHE 29 N -1.15 -0.55 -0.03 0.00 2.19 -1.04 -5.01 117.98 112.38 2i9z s PHE 29 Ca 0.00 1.16 -0.01 0.00 0.33 0.00 0.00 56.93 58.41 2i9z s PHE 29 Cb 0.00 0.11 -0.04 0.00 -1.31 0.00 0.00 43.02 41.78 2i9z s PHE 29 CO 0.00 -0.38 0.07 0.14 1.83 0.00 0.00 175.22 176.87 2i9z s VAL 30 N 2.30 4.68 -0.10 3.12 -7.23 -1.26 -0.50 120.40 121.41 2i9z s VAL 30 Ca -0.02 -0.34 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2i9z s VAL 30 Cb -0.12 -3.10 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 2i9z s VAL 30 CO -0.10 0.42 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.24 2i9z s ILE 31 N -1.12 2.10 0.34 -0.62 1.01 0.44 -4.99 121.20 118.37 2i9z s ILE 31 Ca 0.20 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2i9z s ILE 31 Cb -0.12 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2i9z s ILE 31 CO 0.11 0.56 0.29 -1.00 0.00 0.00 0.00 174.94 174.90 2i9z s HIS 32 N 0.35 2.88 -0.19 3.97 3.76 -1.26 -1.17 115.29 123.64 2i9z s HIS 32 Ca -0.18 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2i9z s HIS 32 Cb -0.18 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2i9z s HIS 32 CO 0.09 0.17 0.00 -3.47 -0.85 0.00 0.00 174.74 170.68 2i9z n ASP 33 N -1.38 -1.84 -4.82 1.40 2.03 -0.97 -4.59 116.55 106.39 2i9z n ASP 33 Ca -0.02 0.01 -0.31 0.00 0.52 0.00 0.00 54.79 54.99 2i9z n ASP 33 Cb 0.60 -0.94 0.04 0.00 -0.72 0.00 0.00 41.12 40.10 2i9z n ASP 33 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2i9z s LEU 34 N -0.57 3.23 -0.00 -2.67 1.02 -0.36 -3.30 118.68 116.03 2i9z s LEU 34 Ca 0.00 1.67 0.02 0.00 0.02 0.00 0.00 54.13 55.84 2i9z s LEU 34 Cb 0.00 -4.51 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 2i9z s LEU 34 CO 0.00 -1.36 -0.06 -0.13 0.02 0.00 0.00 176.35 174.81 2i9z s ARG 35 N -4.78 0.49 -0.24 1.70 0.52 -0.40 -1.19 118.95 115.06 2i9z s ARG 35 Ca 0.59 -0.26 -0.21 0.00 -0.52 0.00 0.00 55.73 55.33 2i9z s ARG 35 Cb -0.14 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 2i9z s ARG 35 CO 0.50 0.12 0.65 0.08 0.02 0.00 0.00 175.30 176.67 2i9z s VAL 36 N -0.24 4.98 -0.13 3.52 1.01 -0.36 -0.38 120.40 128.79 2i9z s VAL 36 Ca 0.01 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2i9z s VAL 36 Cb -0.03 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2i9z s VAL 36 CO -0.00 0.04 -0.19 -0.63 0.00 0.00 0.00 175.10 174.33 2i9z s ILE 37 N 2.35 2.45 -0.04 2.22 -1.09 0.84 0.18 121.20 128.11 2i9z s ILE 37 Ca 0.28 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 2i9z s ILE 37 Cb -0.16 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 2i9z s ILE 37 CO 0.09 0.54 0.06 -0.70 -1.23 0.00 0.00 174.94 173.69 2i9z s GLU 38 N 0.62 3.04 0.34 2.79 2.12 0.65 -0.28 118.70 127.99 2i9z s GLU 38 Ca -0.10 -0.45 -0.14 0.00 0.36 0.00 0.00 54.97 54.64 2i9z s GLU 38 Cb -0.16 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.41 2i9z s GLU 38 CO 0.03 0.67 0.69 0.20 -0.54 0.00 0.00 175.26 176.31 2i9z s GLY 39 N -1.42 0.47 0.61 -1.50 0.00 -1.09 -4.59 107.32 99.79 2i9z s GLY 39 Ca 0.19 -0.79 0.38 0.00 0.00 0.00 0.00 44.72 44.50 2i9z s GLY 39 CO 0.09 -0.40 2.19 3.43 0.00 0.00 0.00 173.10 178.40 2i9z h ASN 40 N 2.04 0.00 1.01 1.64 -0.26 -2.03 -1.51 115.58 116.48 2i9z h ASN 40 Ca -0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 2i9z h ASN 40 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2i9z h ASN 40 CO 0.36 0.01 -0.13 -1.54 -1.06 0.00 0.00 177.43 175.08 2i9z n SER 41 N -3.15 0.30 0.00 5.81 3.41 -1.26 -5.04 113.62 113.69 2i9z n SER 41 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2i9z n SER 41 Cb 0.18 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2i9z n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i9z n GLY 42 N 1.45 1.92 3.83 5.00 0.00 -0.57 -5.08 105.19 111.75 2i9z n GLY 42 Ca 0.06 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2i9z n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i9z s LEU 43 N 0.00 4.41 0.08 0.99 2.01 -1.26 -2.68 118.68 122.23 2i9z s LEU 43 Ca 0.00 1.10 -0.05 0.00 0.01 0.00 0.00 54.13 55.19 2i9z s LEU 43 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 46.19 43.12 2i9z s LEU 43 CO 0.00 0.19 0.08 0.72 1.01 0.00 0.00 176.35 178.35 2i9z s PHE 44 N -1.31 0.40 -0.33 0.29 -0.71 0.62 -4.97 117.98 111.96 2i9z s PHE 44 Ca 0.33 -0.88 -0.10 0.00 -1.04 0.00 0.00 56.93 55.24 2i9z s PHE 44 Cb -0.16 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 2i9z s PHE 44 CO 0.18 -0.48 0.18 0.08 -1.34 0.00 0.00 175.22 173.84 2i9z s VAL 45 N -3.91 4.65 0.00 -2.49 1.01 -1.26 -0.11 120.40 118.29 2i9z s VAL 45 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2i9z s VAL 45 Cb 0.06 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2i9z s VAL 45 CO -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 174.98 2i9z n ALA 46 N 5.00 0.00 -2.63 5.51 0.00 0.49 -4.90 120.51 123.98 2i9z n ALA 46 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 2i9z n ALA 46 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2i9z n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i9z s PRO 48 N 1.41 3.74 0.09 0.00 0.04 -1.21 -1.27 135.00 137.81 2i9z s PRO 48 Ca 0.00 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.13 2i9z s PRO 48 Cb 0.00 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 2i9z s PRO 48 CO 0.00 0.65 0.16 -1.54 0.04 0.00 0.00 177.00 176.31 2i9z s SER 49 N -1.43 0.17 0.09 6.66 1.04 -1.26 -0.29 113.70 118.67 2i9z s SER 49 Ca 0.27 -0.75 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 2i9z s SER 49 Cb -0.14 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 2i9z s SER 49 CO 0.14 -0.73 0.19 -1.59 0.98 0.00 0.00 173.24 172.23 2i9z s LYS 50 N -3.89 0.84 -0.05 4.02 -2.85 -0.85 -4.87 119.74 112.09 2i9z s LYS 50 Ca 0.08 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 2i9z s LYS 50 Cb 0.05 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2i9z s LYS 50 CO -0.09 -0.27 1.23 0.50 0.10 0.00 0.00 175.35 176.83 2i9z s ARG 51 N -3.83 4.33 0.97 1.78 3.52 -1.26 -2.11 118.95 122.36 2i9z s ARG 51 Ca 0.05 1.71 -0.16 0.00 -0.13 0.00 0.00 55.73 57.20 2i9z s ARG 51 Cb 0.05 -3.57 0.19 0.00 -1.56 0.00 0.00 34.95 30.06 2i9z s ARG 51 CO -0.11 -0.48 1.28 0.95 -0.81 0.00 0.00 175.30 176.13 2i9z s THR 52 N 2.32 1.95 0.11 4.11 -4.23 0.28 -4.91 115.64 115.28 2i9z s THR 52 Ca 0.57 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 2i9z s THR 52 Cb -0.25 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.77 2i9z s THR 52 CO 0.22 0.00 0.50 -2.65 -0.54 0.00 0.00 174.62 172.16 2i9z n PRO 53 N -3.84 -0.02 -3.15 3.99 -0.02 -1.26 -3.68 135.00 127.02 2i9z n PRO 53 Ca 0.14 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 2i9z n PRO 53 Cb 0.60 -0.79 -0.01 0.00 -0.02 0.00 0.00 33.50 33.28 2i9z n PRO 53 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2i9z s ASP 54 N -4.88 -1.32 0.00 2.55 2.15 -1.26 -5.09 116.67 108.82 2i9z s ASP 54 Ca -0.03 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2i9z s ASP 54 Cb 0.11 2.11 0.00 0.00 -0.30 0.00 0.00 42.92 44.83 2i9z s ASP 54 CO 0.25 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 2i9z n GLY 55 N 5.43 2.42 3.94 2.66 0.00 -1.24 -5.07 105.19 113.33 2i9z n GLY 55 Ca -0.01 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2i9z n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i9z s GLU 56 N 0.00 3.46 0.09 1.61 2.56 -1.26 -4.80 118.70 120.36 2i9z s GLU 56 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 54.97 54.20 2i9z s GLU 56 Cb 0.00 -2.94 -0.07 0.00 2.00 0.00 0.00 34.13 33.12 2i9z s GLU 56 CO 0.00 0.50 0.70 -0.06 -0.56 0.00 0.00 175.26 175.85 2i9z s PHE 57 N -1.76 3.82 0.06 5.30 0.40 -1.26 -0.55 117.98 123.99 2i9z s PHE 57 Ca 0.35 1.46 -0.05 0.00 -0.60 0.00 0.00 56.93 58.09 2i9z s PHE 57 Cb -0.11 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.70 2i9z s PHE 57 CO 0.29 0.46 0.09 0.50 0.70 0.00 0.00 175.22 177.25 2i9z s ARG 58 N -0.76 0.69 0.06 0.44 6.06 -0.89 -4.96 118.95 119.58 2i9z s ARG 58 Ca 0.34 -1.00 -0.36 0.00 -2.50 0.00 0.00 55.73 52.22 2i9z s ARG 58 Cb -0.21 0.27 -0.15 0.00 0.06 0.00 0.00 34.95 34.91 2i9z s ARG 58 CO 0.23 -0.18 1.53 -0.25 -2.50 0.00 0.00 175.30 174.13 2i9z n ASP 59 N 0.22 2.45 0.03 -2.12 8.00 -1.26 -2.00 116.55 121.87 2i9z n ASP 59 Ca -0.16 1.09 -0.17 0.00 0.71 0.00 0.00 54.79 56.26 2i9z n ASP 59 Cb 0.61 -1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.35 2i9z n ASP 59 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2i9z h ILE 60 N 3.86 1.31 -4.38 0.53 2.04 -0.99 -3.45 117.51 116.44 2i9z h ILE 60 Ca -0.47 -2.21 -0.70 0.00 1.00 0.00 0.00 64.86 62.49 2i9z h ILE 60 Cb 1.30 2.26 -0.27 0.00 -0.74 0.00 0.00 36.82 39.37 2i9z h ILE 60 CO 0.86 0.68 -0.86 0.00 0.00 0.00 0.00 178.15 178.83 2i9z s ALA 61 N -3.44 2.30 -0.20 1.87 0.00 -1.25 -5.08 121.76 115.97 2i9z s ALA 61 Ca -0.09 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 2i9z s ALA 61 Cb 0.08 -0.62 0.10 0.00 0.00 0.00 0.00 23.12 22.68 2i9z s ALA 61 CO 0.90 0.54 0.37 -1.58 0.00 0.00 0.00 175.76 175.99 2i9z s HIS 62 N -0.71 -0.72 0.25 0.00 2.46 -1.26 -4.61 115.29 110.71 2i9z s HIS 62 Ca 0.11 1.21 -0.30 0.00 0.47 0.00 0.00 55.06 56.56 2i9z s HIS 62 Cb -0.10 0.15 -0.09 0.00 -0.13 0.00 0.00 32.58 32.41 2i9z s HIS 62 CO 0.01 -0.52 1.22 -1.25 -2.47 0.00 0.00 174.74 171.73 2i9z s PRO 63 N 2.55 4.48 0.12 2.88 0.04 -1.26 -4.95 135.00 138.86 2i9z s PRO 63 Ca 0.03 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.96 2i9z s PRO 63 Cb -0.13 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.11 2i9z s PRO 63 CO -0.13 -0.06 1.29 -0.84 0.04 0.00 0.00 177.00 177.31 2i9z h ILE 64 N 3.38 1.34 -1.98 0.56 3.07 -2.03 -3.46 117.51 118.39 2i9z h ILE 64 Ca -0.46 -2.26 -0.59 0.00 1.55 0.00 0.00 64.86 63.09 2i9z h ILE 64 Cb 1.22 2.29 -0.12 0.00 -0.27 0.00 0.00 36.82 39.94 2i9z h ILE 64 CO 0.71 0.69 -0.65 0.54 -1.05 0.00 0.00 178.15 178.38 2i9z s ASN 65 N -7.14 4.02 0.28 2.16 2.20 -1.26 -5.04 114.94 110.17 2i9z s ASN 65 Ca -0.08 -1.03 0.01 0.00 -0.94 0.00 0.00 52.86 50.82 2i9z s ASN 65 Cb 0.08 -0.48 0.52 0.00 -2.00 0.00 0.00 41.25 39.38 2i9z s ASN 65 CO 0.89 -0.18 1.85 0.28 -2.94 0.00 0.00 177.10 177.00 2i9z h SER 66 N 1.92 0.95 0.00 3.54 0.02 -2.05 -2.20 113.55 115.73 2i9z h SER 66 Ca -0.42 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2i9z h SER 66 Cb 1.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2i9z h SER 66 CO 0.67 0.54 0.00 -0.67 -1.14 0.00 0.00 176.83 176.23 2i9z n ASP 67 N -4.57 0.00 0.00 3.07 2.03 -1.26 -0.85 116.55 114.96 2i9z n ASP 67 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2i9z n ASP 67 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2i9z n ASP 67 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2i9z n ARG 69 N 0.28 0.00 -0.28 -0.67 0.63 -0.83 -1.61 116.66 114.18 2i9z n ARG 69 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2i9z n ARG 69 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 2i9z n ARG 69 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2i9z h GLN 70 N 0.00 1.11 -0.89 -0.14 5.75 -1.29 -1.72 115.11 117.94 2i9z h GLN 70 Ca 0.00 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2i9z h GLN 70 Cb 0.00 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.31 2i9z h GLN 70 CO 0.00 0.87 0.58 1.49 -2.65 0.00 0.00 178.83 179.12 2i9z h GLU 71 N 1.08 1.13 -0.21 1.69 4.81 -1.55 0.10 114.58 121.63 2i9z h GLU 71 Ca 0.26 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2i9z h GLU 71 Cb 0.14 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2i9z h GLU 71 CO -0.03 0.75 -0.01 0.82 -0.73 0.00 0.00 179.01 179.80 2i9z h ILE 72 N 1.16 1.26 0.17 2.32 1.08 -1.79 -1.10 117.51 120.61 2i9z h ILE 72 Ca 0.34 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2i9z h ILE 72 Cb -0.07 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2i9z h ILE 72 CO -0.09 0.28 -0.17 -0.61 -0.69 0.00 0.00 178.15 176.87 2i9z h GLN 73 N 0.14 -0.36 -0.21 2.37 4.15 -0.99 -1.04 115.11 119.17 2i9z h GLN 73 Ca 0.06 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.54 2i9z h GLN 73 Cb 0.42 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 2i9z h GLN 73 CO 0.01 -0.24 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.20 2i9z h ASP 74 N -0.37 -0.15 -0.73 -0.69 3.32 -0.82 -2.72 116.42 114.26 2i9z h ASP 74 Ca 0.00 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.20 2i9z h ASP 74 Cb 0.36 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 2i9z h ASP 74 CO -0.05 -0.05 0.38 0.00 -1.72 0.00 0.00 179.24 177.80 2i9z h ALA 75 N 1.20 1.01 0.00 3.45 0.00 -0.99 -1.23 119.26 122.71 2i9z h ALA 75 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2i9z h ALA 75 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2i9z h ALA 75 CO -0.20 -0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.33 2i9z n VAL 76 N -4.83 0.40 0.00 0.00 0.31 -0.41 -3.36 118.33 110.44 2i9z n VAL 76 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2i9z n VAL 76 Cb 0.26 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2i9z n VAL 76 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i9z n LYS 78 N 0.47 0.00 -0.02 5.55 4.81 -0.46 -1.04 118.16 127.47 2i9z n LYS 78 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 2i9z n LYS 78 Cb 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.24 2i9z n LYS 78 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2i9z h VAL 79 N 0.00 1.28 -0.32 3.15 2.07 -1.82 -2.47 116.25 118.13 2i9z h VAL 79 Ca 0.00 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.58 2i9z h VAL 79 Cb 0.00 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2i9z h VAL 79 CO 0.00 0.63 0.07 0.22 0.02 0.00 0.00 177.57 178.50 2i9z h TYR 80 N 0.50 0.11 0.00 1.57 5.03 -1.39 -0.83 116.97 121.97 2i9z h TYR 80 Ca -0.06 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 2i9z h TYR 80 Cb 1.42 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.69 2i9z h TYR 80 CO 0.09 0.02 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.39 2i9z h ASP 81 N 0.18 0.00 0.79 -2.11 3.32 -1.81 -2.24 116.42 114.55 2i9z h ASP 81 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2i9z h ASP 81 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2i9z h ASP 81 CO -0.20 0.12 -0.13 -0.62 -1.72 0.00 0.00 179.24 176.69 2i9z n GLU 82 N -3.73 0.09 -3.73 3.56 1.02 -0.41 -4.91 120.64 112.54 2i9z n GLU 82 Ca -0.02 -0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.73 2i9z n GLU 82 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 2i9z n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2i9z s THR 83 N -2.92 5.33 0.00 2.62 2.01 -0.65 -5.07 115.64 116.95 2i9z s THR 83 Ca 0.16 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2i9z s THR 83 Cb 0.19 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2i9z s THR 83 CO 0.56 0.60 0.00 0.47 -0.69 0.00 0.00 174.62 175.56