#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 4.35 -0.03 3.15 1.01 -1.26 -1.18 120.40 126.44 2i9z s VAL 3 Ca 0.00 0.24 0.19 0.00 0.00 0.00 0.00 61.98 62.41 2i9z s VAL 3 Cb 0.00 -4.57 -0.29 0.00 0.00 0.00 0.00 36.38 31.52 2i9z s VAL 3 CO 0.00 -1.17 0.41 0.35 0.00 0.00 0.00 175.10 174.68 2i9z n THR 4 N 6.19 0.04 -3.84 3.92 -2.24 -0.66 -4.92 114.28 112.77 2i9z n THR 4 Ca 0.01 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 2i9z n THR 4 Cb 0.47 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 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 -4.23 -0.08 -0.03 3.42 2.15 -1.25 -4.98 116.67 111.66 2i9z s ASP 5 Ca -0.07 0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.06 2i9z s ASP 5 Cb 0.12 0.17 0.03 0.00 -0.30 0.00 0.00 42.92 42.94 2i9z s ASP 5 CO 0.79 -0.03 0.04 -0.69 -0.17 0.00 0.00 175.17 175.11 2i9z s VAL 6 N 0.02 -0.03 -0.13 1.11 1.01 -1.26 -1.21 120.40 119.92 2i9z s VAL 6 Ca -0.00 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2i9z s VAL 6 Cb -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.23 2i9z s VAL 6 CO 0.00 0.15 -0.14 -0.13 0.00 0.00 0.00 175.10 174.98 2i9z s ARG 7 N 1.61 2.15 0.02 2.72 0.52 0.60 -5.00 118.95 121.57 2i9z s ARG 7 Ca -0.02 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 2i9z s ARG 7 Cb -0.13 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 2i9z s ARG 7 CO -0.03 -0.17 -0.17 -1.17 0.02 0.00 0.00 175.30 173.78 2i9z s LEU 8 N 1.31 2.10 -0.19 2.53 0.20 -1.26 -0.44 118.68 122.93 2i9z s LEU 8 Ca 0.00 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 2i9z s LEU 8 Cb -0.14 -0.83 0.05 0.00 -0.43 0.00 0.00 46.19 44.85 2i9z s LEU 8 CO -0.07 0.15 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.54 2i9z s ARG 9 N -0.79 1.05 0.11 1.98 3.52 -0.19 -5.01 118.95 119.63 2i9z s ARG 9 Ca 0.06 -0.54 -0.31 0.00 -0.13 0.00 0.00 55.73 54.80 2i9z s ARG 9 Cb -0.07 -2.13 -0.09 0.00 -1.56 0.00 0.00 34.95 31.09 2i9z s ARG 9 CO 0.00 -0.56 1.61 0.15 -0.81 0.00 0.00 175.30 175.69 2i9z s LYS 10 N 1.71 4.21 0.02 5.12 1.02 -1.26 -1.25 119.74 129.31 2i9z s LYS 10 Ca -0.01 2.34 -0.27 0.00 0.02 0.00 0.00 55.97 58.05 2i9z s LYS 10 Cb -0.17 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2i9z s LYS 10 CO -0.07 -0.67 0.84 0.42 -0.92 0.00 0.00 175.35 174.94 2i9z s ILE 11 N 1.97 4.80 0.09 2.17 -1.09 0.30 -4.92 121.20 124.51 2i9z s ILE 11 Ca 0.72 1.78 -0.08 0.00 -2.23 0.00 0.00 60.65 60.83 2i9z s ILE 11 Cb -0.41 -4.19 -0.25 0.00 -1.58 0.00 0.00 42.46 36.02 2i9z s ILE 11 CO 0.32 0.28 1.18 0.06 -1.23 0.00 0.00 174.94 175.54 2i9z h GLN 12 N 6.19 0.46 -6.07 2.79 -0.00 -1.94 -3.44 115.11 113.10 2i9z h GLN 12 Ca -0.42 -0.61 -0.58 0.00 -0.00 0.00 0.00 58.65 57.04 2i9z h GLN 12 Cb 1.21 0.20 -0.01 0.00 -0.00 0.00 0.00 27.48 28.88 2i9z h GLN 12 CO 0.73 1.25 1.43 0.99 -0.00 0.00 0.00 178.83 183.22 2i9z s THR 13 N -2.98 3.17 -1.01 1.86 2.01 -1.26 -4.87 115.64 112.56 2i9z s THR 13 Ca -0.07 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 2i9z s THR 13 Cb 0.07 -3.24 -0.14 0.00 0.01 0.00 0.00 72.50 69.20 2i9z s THR 13 CO 0.90 -0.16 2.11 -0.62 -0.69 0.00 0.00 174.62 176.16 2i9z s ASP 14 N 7.74 4.20 0.00 3.53 2.15 -1.26 -4.77 116.67 128.27 2i9z s ASP 14 Ca 0.93 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.05 2i9z s ASP 14 Cb -0.28 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 2i9z s ASP 14 CO 0.34 -3.82 0.00 0.61 -0.17 0.00 0.00 175.17 172.13 2i9z n GLY 15 N 6.34 5.17 2.33 2.66 0.00 -1.26 -5.19 105.19 115.24 2i9z n GLY 15 Ca 0.43 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 2i9z n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9z n ARG 16 N 0.00 0.16 0.00 1.61 1.74 -1.26 -4.86 116.66 114.05 2i9z n ARG 16 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2i9z n ARG 16 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 2.71 0.00 -3.52 5.56 4.76 0.14 -0.95 118.16 126.85 2i9z n LYS 18 Ca 0.03 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 2i9z n LYS 18 Cb 0.07 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.21 2i9z n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i9z s ALA 19 N -0.63 -1.63 -0.10 7.82 0.00 -1.17 -0.54 121.76 125.51 2i9z s ALA 19 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 2i9z s ALA 19 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2i9z s ALA 19 CO 0.00 -0.45 0.07 -1.17 0.00 0.00 0.00 175.76 174.21 2i9z s LEU 20 N -1.57 3.97 -0.02 0.00 2.96 -0.38 -0.90 118.68 122.74 2i9z s LEU 20 Ca -0.08 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2i9z s LEU 20 Cb -0.01 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2i9z s LEU 20 CO 0.04 0.39 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.75 2i9z s VAL 21 N -0.92 0.25 -0.02 1.68 1.01 0.27 -1.02 120.40 121.65 2i9z s VAL 21 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2i9z s VAL 21 Cb -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2i9z s VAL 21 CO 0.03 0.13 -0.08 -0.44 0.00 0.00 0.00 175.10 174.74 2i9z s SER 22 N 0.66 4.54 0.17 3.32 0.01 0.42 -1.25 113.70 121.58 2i9z s SER 22 Ca -0.07 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.14 2i9z s SER 22 Cb -0.10 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 2i9z s SER 22 CO -0.01 0.31 -0.14 0.27 0.41 0.00 0.00 173.24 174.09 2i9z s ILE 23 N -0.91 1.55 -0.11 1.44 -4.36 -0.48 -0.29 121.20 118.04 2i9z s ILE 23 Ca 0.15 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2i9z s ILE 23 Cb -0.11 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 2i9z s ILE 23 CO 0.05 -0.56 -0.14 -0.89 0.24 0.00 0.00 174.94 173.64 2i9z s THR 24 N -2.77 3.00 -0.18 8.37 2.01 -0.35 -0.95 115.64 124.78 2i9z s THR 24 Ca 0.18 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 2i9z s THR 24 Cb -0.01 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2i9z s THR 24 CO 0.05 0.54 0.04 -0.76 -0.69 0.00 0.00 174.62 173.80 2i9z s LEU 25 N 0.15 3.72 -1.55 4.42 1.43 0.12 -1.66 118.68 125.30 2i9z s LEU 25 Ca -0.07 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2i9z s LEU 25 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2i9z s LEU 25 CO 0.05 0.18 0.00 0.47 0.23 0.00 0.00 176.35 177.28 2i9z n ASP 26 N 3.51 -5.08 -1.25 2.29 8.00 -0.33 -0.25 116.55 123.45 2i9z n ASP 26 Ca -0.17 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 2i9z n ASP 26 Cb 0.52 -4.16 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 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 -1.53 -1.39 -0.00 -1.24 1.02 -1.26 -4.82 120.64 111.42 2i9z n GLU 27 Ca -0.15 0.77 0.02 0.00 -0.02 0.00 0.00 57.16 57.79 2i9z n GLU 27 Cb 0.58 -4.99 -0.04 0.00 -0.02 0.00 0.00 31.44 26.98 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 0.61 2.16 -3.70 0.62 0.00 0.66 -5.04 120.51 115.81 2i9z n ALA 28 Ca -0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 2i9z n ALA 28 Cb 0.45 -0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.31 -0.52 -0.15 0.00 2.19 -0.74 -5.00 117.98 111.46 2i9z s PHE 29 Ca -0.02 1.13 -0.05 0.00 0.33 0.00 0.00 56.93 58.32 2i9z s PHE 29 Cb 0.03 0.19 -0.04 0.00 -1.31 0.00 0.00 43.02 41.90 2i9z s PHE 29 CO 0.19 -0.31 0.02 0.54 1.83 0.00 0.00 175.22 177.49 2i9z s VAL 30 N 1.39 4.45 -0.20 3.12 0.11 -1.26 0.12 120.40 128.13 2i9z s VAL 30 Ca -0.09 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2i9z s VAL 30 Cb -0.09 -2.96 -0.01 0.00 -1.53 0.00 0.00 36.38 31.80 2i9z s VAL 30 CO -0.11 0.51 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.46 2i9z s ILE 31 N 0.03 3.19 0.38 7.04 1.09 -0.12 -4.99 121.20 127.82 2i9z s ILE 31 Ca 0.04 -0.57 0.02 0.00 -1.10 0.00 0.00 60.65 59.04 2i9z s ILE 31 Cb -0.13 -2.42 -0.02 0.00 -1.06 0.00 0.00 42.46 38.84 2i9z s ILE 31 CO 0.02 0.46 0.57 -1.00 -0.10 0.00 0.00 174.94 174.88 2i9z s HIS 32 N 1.20 3.30 -0.35 3.97 3.76 -1.26 -1.38 115.29 124.53 2i9z s HIS 32 Ca 0.02 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 2i9z s HIS 32 Cb -0.14 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.48 2i9z s HIS 32 CO -0.02 -0.09 0.00 -0.25 -0.85 0.00 0.00 174.74 173.53 2i9z n ASP 33 N -1.86 -2.68 -4.77 1.40 8.00 -0.71 -4.63 116.55 111.30 2i9z n ASP 33 Ca -0.02 0.05 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 2i9z n ASP 33 Cb 0.57 -1.27 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 2i9z n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i9z s LEU 34 N -0.94 3.66 -0.06 0.64 1.02 -0.38 -3.52 118.68 119.10 2i9z s LEU 34 Ca 0.00 2.14 0.02 0.00 0.02 0.00 0.00 54.13 56.32 2i9z s LEU 34 Cb 0.00 -4.57 0.01 0.00 0.02 0.00 0.00 46.19 41.65 2i9z s LEU 34 CO 0.00 -1.34 -0.11 -0.13 0.02 0.00 0.00 176.35 174.79 2i9z s ARG 35 N -3.48 1.58 -0.26 1.70 3.00 -0.40 -0.57 118.95 120.52 2i9z s ARG 35 Ca 0.72 -0.38 -0.28 0.00 0.00 0.00 0.00 55.73 55.79 2i9z s ARG 35 Cb -0.23 -1.33 0.01 0.00 0.00 0.00 0.00 34.95 33.40 2i9z s ARG 35 CO 0.31 0.02 1.01 0.08 0.00 0.00 0.00 175.30 176.72 2i9z s VAL 36 N 0.67 4.65 -0.06 3.52 1.01 -0.08 0.36 120.40 130.48 2i9z s VAL 36 Ca -0.14 1.84 0.05 0.00 0.00 0.00 0.00 61.98 63.73 2i9z s VAL 36 Cb -0.15 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2i9z s VAL 36 CO 0.03 -0.26 -0.21 -0.63 0.00 0.00 0.00 175.10 174.02 2i9z s ILE 37 N 3.29 1.78 -0.43 2.22 -1.09 -0.08 0.24 121.20 127.12 2i9z s ILE 37 Ca 0.43 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 2i9z s ILE 37 Cb -0.14 -1.52 0.02 0.00 -1.58 0.00 0.00 42.46 39.24 2i9z s ILE 37 CO 0.09 0.50 0.79 -0.70 -1.23 0.00 0.00 174.94 174.40 2i9z s GLU 38 N 0.01 3.48 0.00 2.79 2.12 -0.13 -0.85 118.70 126.13 2i9z s GLU 38 Ca -0.06 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2i9z s GLU 38 Cb -0.14 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2i9z s GLU 38 CO 0.04 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2i9z n GLY 39 N 4.89 1.76 0.17 -1.50 0.00 0.11 -4.85 105.19 105.77 2i9z n GLY 39 Ca 0.03 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 2i9z n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2i9z h ASN 40 N 0.00 0.19 -1.17 1.61 -1.24 -2.01 -3.23 115.58 109.72 2i9z h ASN 40 Ca 0.00 -0.10 -0.59 0.00 0.71 0.00 0.00 56.30 56.32 2i9z h ASN 40 Cb 0.00 -0.06 -0.41 0.00 0.73 0.00 0.00 38.32 38.59 2i9z h ASN 40 CO 0.00 0.72 -0.56 -1.54 -1.29 0.00 0.00 177.43 174.75 2i9z n SER 41 N -3.89 5.16 0.00 1.15 3.41 -1.26 -5.08 113.62 113.11 2i9z n SER 41 Ca -0.02 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 2i9z n SER 41 Cb 0.58 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.61 -1.09 3.81 5.00 0.00 -1.22 -5.04 105.19 106.04 2i9z n GLY 42 Ca 0.44 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 4.36 0.25 0.99 1.43 -1.26 -0.71 118.68 123.74 2i9z s LEU 43 Ca 0.00 1.43 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 2i9z s LEU 43 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2i9z s LEU 43 CO 0.00 0.05 0.33 0.72 0.23 0.00 0.00 176.35 177.67 2i9z s PHE 44 N -1.49 0.92 -0.28 0.29 -0.71 -0.03 -4.92 117.98 111.76 2i9z s PHE 44 Ca 0.42 -1.16 -0.10 0.00 -1.04 0.00 0.00 56.93 55.05 2i9z s PHE 44 Cb -0.17 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.38 2i9z s PHE 44 CO 0.21 -0.88 0.15 0.08 -1.34 0.00 0.00 175.22 173.44 2i9z s VAL 45 N -3.84 4.86 0.00 -2.49 1.01 -1.26 -0.91 120.40 117.77 2i9z s VAL 45 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2i9z s VAL 45 Cb 0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2i9z s VAL 45 CO 0.14 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.48 2i9z n ALA 46 N 5.00 0.00 -2.70 5.51 0.00 0.16 -4.92 120.51 123.56 2i9z n ALA 46 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 2i9z n ALA 46 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2i9z n ALA 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2i9z s PRO 48 N 2.56 4.38 -0.05 0.00 0.02 -1.23 -1.28 135.00 139.40 2i9z s PRO 48 Ca 0.00 0.93 0.04 0.00 0.02 0.00 0.00 61.00 62.00 2i9z s PRO 48 Cb 0.00 -3.50 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 2i9z s PRO 48 CO 0.00 -0.09 -0.19 0.45 -0.33 0.00 0.00 177.00 176.84 2i9z s SER 49 N 0.96 2.41 -0.08 2.53 0.15 -1.26 -1.01 113.70 117.40 2i9z s SER 49 Ca 0.38 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.66 2i9z s SER 49 Cb -0.17 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.40 2i9z s SER 49 CO 0.16 0.16 -0.17 -0.75 1.20 0.00 0.00 173.24 173.85 2i9z s LYS 50 N 0.07 2.28 0.03 5.44 2.20 0.26 -4.94 119.74 125.07 2i9z s LYS 50 Ca -0.06 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 2i9z s LYS 50 Cb -0.13 -1.80 -0.06 0.00 -1.51 0.00 0.00 37.83 34.34 2i9z s LYS 50 CO 0.03 0.08 1.31 0.50 -0.36 0.00 0.00 175.35 176.91 2i9z s ARG 51 N 0.57 4.34 0.69 4.03 3.52 -1.26 -0.47 118.95 130.36 2i9z s ARG 51 Ca -0.16 1.89 -0.11 0.00 -0.13 0.00 0.00 55.73 57.22 2i9z s ARG 51 Cb -0.17 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2i9z s ARG 51 CO 0.05 -0.45 1.06 0.95 -0.81 0.00 0.00 175.30 176.11 2i9z s THR 52 N 1.78 3.99 0.57 4.11 -4.23 0.11 -4.92 115.64 117.05 2i9z s THR 52 Ca 0.61 0.64 0.28 0.00 -1.18 0.00 0.00 61.69 62.04 2i9z s THR 52 Cb -0.31 -3.50 0.38 0.00 1.34 0.00 0.00 72.50 70.41 2i9z s THR 52 CO 0.27 -0.84 2.00 -0.65 -0.54 0.00 0.00 174.62 174.86 2i9z h PRO 53 N -0.66 0.00 -0.65 3.99 0.11 -1.96 0.67 132.00 133.51 2i9z h PRO 53 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2i9z h PRO 53 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2i9z h PRO 53 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2i9z n ASP 54 N -3.95 4.22 0.00 -2.05 3.85 -1.26 -4.95 116.55 112.41 2i9z n ASP 54 Ca 0.06 -2.32 0.00 0.00 -0.71 0.00 0.00 54.79 51.82 2i9z n ASP 54 Cb 0.51 -0.53 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 2i9z n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2i9z n GLY 55 N 1.18 0.74 3.93 6.12 0.00 0.23 -5.06 105.19 112.33 2i9z n GLY 55 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2i9z n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i9z s GLU 56 N -0.46 1.03 0.04 1.61 2.02 -1.26 -4.81 118.70 116.87 2i9z s GLU 56 Ca 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.68 2i9z s GLU 56 Cb 0.00 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2i9z s GLU 56 CO 0.00 -2.13 -0.22 -0.06 0.02 0.00 0.00 175.26 172.87 2i9z s PHE 57 N -3.74 1.93 -0.16 1.61 0.40 -1.26 0.07 117.98 116.83 2i9z s PHE 57 Ca 0.71 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.66 2i9z s PHE 57 Cb -0.05 -1.16 -0.00 0.00 0.51 0.00 0.00 43.02 42.31 2i9z s PHE 57 CO 0.51 0.08 -0.14 1.03 0.70 0.00 0.00 175.22 177.40 2i9z s ARG 58 N -1.10 3.23 -0.22 0.44 1.81 0.37 -4.90 118.95 118.57 2i9z s ARG 58 Ca 0.08 -0.74 -0.29 0.00 -1.72 0.00 0.00 55.73 53.06 2i9z s ARG 58 Cb -0.09 -2.65 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 2i9z s ARG 58 CO 0.01 0.00 1.42 0.34 -0.68 0.00 0.00 175.30 176.40 2i9z s ASP 59 N 0.85 6.65 -0.09 0.23 -1.08 -1.26 -0.58 116.67 121.39 2i9z s ASP 59 Ca -0.04 1.53 0.08 0.00 -0.52 0.00 0.00 52.55 53.59 2i9z s ASP 59 Cb -0.15 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.53 2i9z s ASP 59 CO -0.01 -1.05 0.47 -0.38 0.52 0.00 0.00 175.17 174.73 2i9z n ILE 60 N 6.01 1.62 -3.77 4.11 2.08 -0.18 -4.92 119.36 124.31 2i9z n ILE 60 Ca 0.16 -0.76 -0.13 0.00 0.56 0.00 0.00 62.75 62.59 2i9z n ILE 60 Cb 0.45 -1.17 -0.12 0.00 -0.75 0.00 0.00 39.64 38.05 2i9z n ILE 60 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i9z s ALA 61 N -2.57 -0.55 0.09 -1.39 0.00 -1.26 -5.07 121.76 111.01 2i9z s ALA 61 Ca -0.11 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2i9z s ALA 61 Cb 0.07 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2i9z s ALA 61 CO 0.80 -0.14 0.62 -3.38 0.00 0.00 0.00 175.76 173.66 2i9z s HIS 62 N 0.50 -0.57 0.52 0.00 -3.43 -1.26 -4.34 115.29 106.72 2i9z s HIS 62 Ca -0.03 0.58 -0.21 0.00 -0.80 0.00 0.00 55.06 54.60 2i9z s HIS 62 Cb -0.05 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.54 2i9z s HIS 62 CO -0.03 -0.76 1.18 -1.25 -2.00 0.00 0.00 174.74 171.89 2i9z s PRO 63 N -2.88 3.42 -0.09 -0.38 0.04 -1.26 -4.99 135.00 128.86 2i9z s PRO 63 Ca -0.03 1.78 0.13 0.00 0.04 0.00 0.00 61.00 62.92 2i9z s PRO 63 Cb -0.01 -2.18 0.20 0.00 0.04 0.00 0.00 34.50 32.55 2i9z s PRO 63 CO -0.05 -0.84 1.09 0.44 0.04 0.00 0.00 177.00 177.68 2i9z n ILE 64 N -1.00 1.43 -3.75 0.56 -5.35 -1.26 -4.94 119.36 105.05 2i9z n ILE 64 Ca 0.10 -1.69 -0.11 0.00 -0.27 0.00 0.00 62.75 60.79 2i9z n ILE 64 Cb 0.49 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.34 2i9z n ILE 64 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i9z s ASN 65 N -2.25 -0.09 0.24 7.28 2.20 -1.26 -5.07 114.94 115.98 2i9z s ASN 65 Ca 0.22 -0.34 -0.05 0.00 -0.94 0.00 0.00 52.86 51.75 2i9z s ASN 65 Cb 0.19 0.38 0.24 0.00 -2.00 0.00 0.00 41.25 40.06 2i9z s ASN 65 CO 0.02 -0.70 1.77 -1.28 -2.94 0.00 0.00 177.10 173.97 2i9z h SER 66 N 2.89 0.95 0.00 3.54 0.87 -2.05 -1.85 113.55 117.89 2i9z h SER 66 Ca -0.33 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2i9z h SER 66 Cb 1.21 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2i9z h SER 66 CO 0.49 0.92 0.00 0.47 -0.53 0.00 0.00 176.83 178.17 2i9z n ASP 67 N -4.25 0.00 0.00 6.23 9.92 -1.26 -1.16 116.55 126.03 2i9z n ASP 67 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2i9z n ASP 67 Cb 0.24 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2i9z n ASP 67 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2i9z n ARG 69 N 0.38 0.00 -0.06 -1.24 0.63 -0.70 -1.35 116.66 114.32 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 0.13 0.00 0.45 0.00 0.00 32.46 33.04 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 0.68 -0.47 -0.14 5.75 -1.41 -1.67 115.11 117.85 2i9z h GLN 70 Ca 0.00 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.13 2i9z h GLN 70 Cb 0.00 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 2i9z h GLN 70 CO 0.00 0.84 -0.16 1.49 -2.65 0.00 0.00 178.83 178.35 2i9z h GLU 71 N 0.60 0.91 0.08 1.69 4.57 -1.46 0.12 114.58 121.09 2i9z h GLU 71 Ca 0.09 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2i9z h GLU 71 Cb 0.69 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2i9z h GLU 71 CO 0.05 1.00 -0.04 0.82 -1.18 0.00 0.00 179.01 179.66 2i9z h ILE 72 N 0.80 1.09 -0.34 2.32 2.04 -1.78 0.01 117.51 121.65 2i9z h ILE 72 Ca 0.12 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2i9z h ILE 72 Cb 0.70 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2i9z h ILE 72 CO 0.05 0.16 0.11 1.56 0.00 0.00 0.00 178.15 180.03 2i9z h GLN 73 N -0.39 0.25 -0.20 2.37 1.08 -1.23 -1.52 115.11 115.47 2i9z h GLN 73 Ca -0.01 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2i9z h GLN 73 Cb 0.34 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2i9z h GLN 73 CO 0.02 0.17 0.01 -0.44 -0.95 0.00 0.00 178.83 177.63 2i9z h ASP 74 N 0.26 0.33 -0.11 1.46 3.32 -0.75 -3.16 116.42 117.76 2i9z h ASP 74 Ca 0.15 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 2i9z h ASP 74 Cb 0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2i9z h ASP 74 CO -0.16 0.55 -0.23 0.00 -1.72 0.00 0.00 179.24 177.68 2i9z h ALA 75 N 0.80 1.07 0.00 3.45 0.00 -0.92 -2.30 119.26 121.35 2i9z h ALA 75 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2i9z h ALA 75 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2i9z h ALA 75 CO 0.01 0.57 0.00 0.28 0.00 0.00 0.00 179.25 180.11 2i9z n VAL 76 N -4.13 0.31 0.00 0.00 0.31 -0.58 -3.23 118.33 111.01 2i9z n VAL 76 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2i9z n VAL 76 Cb 0.40 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.29 0.00 -0.14 5.55 4.81 -0.87 -1.39 118.16 126.40 2i9z n LYS 78 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2i9z n LYS 78 Cb 0.28 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.32 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 1.27 -0.42 3.15 2.07 -1.83 -2.94 116.25 117.55 2i9z h VAL 79 Ca 0.00 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.19 2i9z h VAL 79 Cb 0.00 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2i9z h VAL 79 CO 0.00 0.47 0.18 0.22 0.02 0.00 0.00 177.57 178.46 2i9z h TYR 80 N 0.75 0.33 0.00 1.57 5.03 -1.54 -2.27 116.97 120.84 2i9z h TYR 80 Ca 0.10 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2i9z h TYR 80 Cb 0.79 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.98 2i9z h TYR 80 CO 0.06 0.15 0.00 -0.25 -1.32 0.00 0.00 178.16 176.80 2i9z n ASP 81 N -4.96 0.61 -0.02 -2.11 8.00 -1.15 -1.44 116.55 115.47 2i9z n ASP 81 Ca 0.03 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.34 2i9z n ASP 81 Cb 0.13 -0.80 0.55 0.00 -0.02 0.00 0.00 41.12 40.99 2i9z n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i9z n GLU 82 N -2.20 0.19 -1.50 -1.24 1.02 -0.86 -4.83 120.64 111.23 2i9z n GLU 82 Ca 0.01 -0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.78 2i9z n GLU 82 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 2i9z n GLU 82 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2i9z s THR 83 N -2.84 3.09 0.30 2.62 -1.32 -0.52 -4.94 115.64 112.02 2i9z s THR 83 Ca 0.18 0.45 0.15 0.00 -1.21 0.00 0.00 61.69 61.26 2i9z s THR 83 Cb 0.19 -2.93 0.10 0.00 -1.51 0.00 0.00 72.50 68.35 2i9z s THR 83 CO 0.55 -0.37 1.78 0.44 -2.21 0.00 0.00 174.62 174.81 2i9z h ASP 84 N -0.49 0.00 1.23 8.08 3.32 -1.91 -3.06 116.42 123.59 2i9z h ASP 84 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2i9z h ASP 84 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2i9z h ASP 84 CO 0.52 0.40 0.00 -0.33 -1.72 0.00 0.00 179.24 178.11 2i9z h GLU 85 N 0.00 0.00 -5.80 3.56 3.07 -1.94 -3.43 114.58 110.05 2i9z h GLU 85 Ca -0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.22 2i9z h GLU 85 Cb 0.78 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.62 2i9z h GLU 85 CO 0.05 0.00 -0.33 0.54 -1.40 0.00 0.00 179.01 177.87 2i9z s VAL 86 N -3.47 5.26 -1.90 3.13 0.11 -1.16 -5.22 120.40 117.15 2i9z s VAL 86 Ca 0.04 0.54 0.15 0.00 -2.93 0.00 0.00 61.98 59.78 2i9z s VAL 86 Cb 0.08 -3.57 0.12 0.00 -1.53 0.00 0.00 36.38 31.48 2i9z s VAL 86 CO 0.55 0.58 0.98 -0.38 -3.33 0.00 0.00 175.10 173.50