#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0u n THR 2 N 0.00 0.00 -3.74 2.61 5.66 -1.26 -4.98 114.28 112.57 1i0u n THR 2 Ca 0.00 -0.05 -0.33 0.00 -3.05 0.00 0.00 64.05 60.61 1i0u n THR 2 Cb 0.00 -0.61 -0.09 0.00 -1.55 0.00 0.00 70.33 68.08 1i0u n THR 2 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1i0u s ASN 3 N -2.25 5.51 0.00 1.09 2.47 -1.26 -4.90 114.94 115.60 1i0u s ASN 3 Ca 0.17 -3.71 0.08 0.00 0.42 0.00 0.00 52.86 49.82 1i0u s ASN 3 Cb -0.02 -1.81 0.36 0.00 -1.45 0.00 0.00 41.25 38.34 1i0u s ASN 3 CO 0.13 -0.16 1.22 -0.62 -3.72 0.00 0.00 177.10 173.96 1i0u n GLU 4 N 2.28 0.03 -0.26 0.43 4.71 -1.26 -2.64 120.64 123.93 1i0u n GLU 4 Ca 0.20 0.32 -0.07 0.00 -0.01 0.00 0.00 57.16 57.60 1i0u n GLU 4 Cb 0.36 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.34 1i0u n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i0u h LEU 6 N 1.05 -0.21 0.00 0.00 3.38 -1.95 -3.40 115.31 114.19 1i0u h LEU 6 Ca 0.24 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1i0u h LEU 6 Cb 0.26 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i0u h LEU 6 CO -0.01 -0.09 0.00 -0.67 0.09 0.00 0.00 178.44 177.75 1i0u n ASP 7 N -5.25 0.00 -4.69 -0.43 2.03 -1.14 -4.96 116.55 102.11 1i0u n ASP 7 Ca 0.10 -0.01 -0.56 0.00 0.52 0.00 0.00 54.79 54.84 1i0u n ASP 7 Cb 0.37 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 1i0u n ASP 7 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1i0u n ASN 8 N -0.03 2.46 -4.40 1.67 4.13 -1.26 -4.60 115.26 113.24 1i0u n ASN 8 Ca 0.00 1.07 -0.17 0.00 1.68 0.00 0.00 54.58 57.16 1i0u n ASN 8 Cb 0.00 -1.18 -0.17 0.00 -1.54 0.00 0.00 39.78 36.89 1i0u n ASN 8 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1i0u n ASN 9 N 5.22 -1.31 0.00 6.41 5.15 0.15 -1.04 115.26 129.83 1i0u n ASN 9 Ca 0.25 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 1i0u n ASN 9 Cb 0.16 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 1i0u n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i0u n GLY 10 N 5.39 0.00 0.00 8.20 0.00 -1.13 -0.98 105.19 116.68 1i0u n GLY 10 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1i0u n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i0u n GLY 11 N -0.26 2.64 0.00 -0.02 0.00 -0.21 -4.78 105.19 102.55 1i0u n GLY 11 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1i0u n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0u n SER 13 N 0.00 -1.23 0.00 0.00 3.41 -1.26 0.29 113.62 114.83 1i0u n SER 13 Ca 0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 1i0u n SER 13 Cb 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1i0u n SER 13 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1i0u n HIS 14 N -0.79 0.00 -3.93 7.33 8.25 -1.26 -4.89 115.22 119.93 1i0u n HIS 14 Ca -0.23 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.89 1i0u n HIS 14 Cb 0.79 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.76 1i0u n HIS 14 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1i0u s VAL 15 N 1.45 2.81 -1.20 1.59 1.01 -0.89 -4.77 120.40 120.40 1i0u s VAL 15 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 1i0u s VAL 15 Cb 0.00 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1i0u s VAL 15 CO 0.00 -0.20 1.72 0.00 0.00 0.00 0.00 175.10 176.63 1i0u s ASN 17 N 4.96 6.55 -0.80 0.00 2.47 -0.37 -4.88 114.94 122.88 1i0u s ASN 17 Ca 0.56 -2.08 -0.19 0.00 0.42 0.00 0.00 52.86 51.57 1i0u s ASN 17 Cb 0.02 -2.32 -0.19 0.00 -1.45 0.00 0.00 41.25 37.31 1i0u s ASN 17 CO 0.05 -0.93 2.10 -0.67 -3.72 0.00 0.00 177.10 173.93 1i0u n ASP 18 N 5.72 0.38 -4.54 -4.21 2.03 -1.26 -1.29 116.55 113.37 1i0u n ASP 18 Ca 0.12 -1.46 -0.29 0.00 0.52 0.00 0.00 54.79 53.68 1i0u n ASP 18 Cb 0.47 -1.26 0.19 0.00 -0.72 0.00 0.00 41.12 39.80 1i0u n ASP 18 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1i0u s LEU 19 N 9.79 1.37 0.02 -2.67 2.96 -1.26 -4.69 118.68 124.20 1i0u s LEU 19 Ca 0.88 1.08 -0.21 0.00 -0.22 0.00 0.00 54.13 55.67 1i0u s LEU 19 Cb -0.28 -3.17 -0.17 0.00 0.50 0.00 0.00 46.19 43.07 1i0u s LEU 19 CO 0.22 -3.37 1.25 0.07 -1.32 0.00 0.00 176.35 173.20 1i0u h LYS 20 N -2.06 0.36 -2.62 1.98 2.10 -2.00 -3.29 116.57 111.04 1i0u h LYS 20 Ca -0.54 -0.25 -0.26 0.00 -2.00 0.00 0.00 60.65 57.60 1i0u h LYS 20 Cb 1.33 0.04 -0.34 0.00 -0.90 0.00 0.00 32.23 32.36 1i0u h LYS 20 CO 0.54 0.86 -0.57 0.42 -2.00 0.00 0.00 179.45 178.70 1i0u s ILE 21 N -3.89 -0.39 0.00 0.07 1.01 -1.26 -4.42 121.20 112.32 1i0u s ILE 21 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1i0u s ILE 21 Cb 0.04 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1i0u s ILE 21 CO 0.77 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1i0u n GLY 22 N 5.34 0.60 2.25 6.18 0.00 -1.26 -5.06 105.19 113.24 1i0u n GLY 22 Ca -0.05 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1i0u n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i0u n TYR 23 N -0.40 -2.81 -4.12 1.61 4.01 -1.26 -4.80 117.16 109.38 1i0u n TYR 23 Ca 0.00 0.17 -0.22 0.00 -0.16 0.00 0.00 57.90 57.69 1i0u n TYR 23 Cb 0.17 -1.13 -0.06 0.00 -0.31 0.00 0.00 39.34 38.02 1i0u n TYR 23 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1i0u s GLU 24 N -1.03 2.59 -0.59 -0.72 2.02 -0.42 -4.86 118.70 115.68 1i0u s GLU 24 Ca 0.35 -1.30 0.06 0.00 0.02 0.00 0.00 54.97 54.10 1i0u s GLU 24 Cb -0.26 -2.35 0.26 0.00 0.10 0.00 0.00 34.13 31.89 1i0u s GLU 24 CO 0.53 0.29 0.74 0.00 0.02 0.00 0.00 175.26 176.83 1i0u n LEU 26 N 0.80 0.00 -4.74 0.00 4.77 -0.52 -4.62 117.00 112.70 1i0u n LEU 26 Ca 0.29 -0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1i0u n LEU 26 Cb 0.43 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1i0u n LEU 26 CO 0.37 -0.99 0.14 0.00 -1.33 0.00 0.00 177.39 175.58 1i0u h PRO 28 N 6.48 -0.96 0.00 0.00 0.13 -1.90 -3.45 132.00 132.29 1i0u h PRO 28 Ca -0.42 0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.47 1i0u h PRO 28 Cb 1.18 0.22 0.13 0.00 0.13 0.00 0.00 31.00 32.66 1i0u h PRO 28 CO 0.74 -0.62 0.29 -0.40 -0.23 0.00 0.00 178.00 177.78 1i0u n ASP 29 N -5.47 -0.03 0.16 1.44 5.75 -1.26 -4.96 116.55 112.17 1i0u n ASP 29 Ca -0.13 -1.32 0.16 0.00 -0.01 0.00 0.00 54.79 53.48 1i0u n ASP 29 Cb 0.41 -0.73 0.73 0.00 -1.03 0.00 0.00 41.12 40.50 1i0u n ASP 29 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1i0u h GLY 30 N -1.30 0.00 -1.36 6.12 0.00 -2.02 -3.45 103.07 101.06 1i0u h GLY 30 Ca -0.31 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.57 1i0u h GLY 30 CO 0.22 0.00 -0.67 0.69 0.00 0.00 0.00 176.54 176.78 1i0u n PHE 31 N -4.20 -1.37 -3.82 5.60 3.01 -1.26 -5.02 117.46 110.40 1i0u n PHE 31 Ca 0.03 0.03 -0.28 0.00 1.01 0.00 0.00 57.45 58.23 1i0u n PHE 31 Cb 0.34 -1.62 -0.03 0.00 -0.01 0.00 0.00 39.48 38.16 1i0u n PHE 31 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1i0u s GLN 32 N -3.81 3.49 -1.01 -1.08 -0.21 -0.46 -4.73 119.66 111.84 1i0u s GLN 32 Ca 0.61 -0.42 -0.20 0.00 0.02 0.00 0.00 55.36 55.36 1i0u s GLN 32 Cb -0.17 -2.92 0.09 0.00 1.00 0.00 0.00 33.01 31.01 1i0u s GLN 32 CO 0.66 0.49 1.32 -1.17 -2.12 0.00 0.00 175.29 174.47 1i0u s LEU 33 N -3.09 4.29 0.00 2.90 2.96 -1.26 -0.77 118.68 123.71 1i0u s LEU 33 Ca 0.37 -1.86 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1i0u s LEU 33 Cb -0.11 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1i0u s LEU 33 CO 0.28 -1.25 0.01 0.52 -1.32 0.00 0.00 176.35 174.59 1i0u n VAL 34 N 6.12 0.00 -1.58 1.68 0.31 -0.92 -4.53 118.33 119.41 1i0u n VAL 34 Ca 0.30 0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 64.43 1i0u n VAL 34 Cb 0.49 -0.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.81 1i0u n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i0u n ALA 35 N -1.08 6.61 0.00 3.52 0.00 -1.02 -4.83 120.51 123.70 1i0u n ALA 35 Ca 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1i0u n ALA 35 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.07 1i0u n ALA 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1i0u n GLN 36 N 4.46 0.00 0.00 0.00 6.02 -1.26 -2.42 117.38 124.18 1i0u n GLN 36 Ca 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1i0u n GLN 36 Cb 0.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.56 1i0u n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i0u n ARG 37 N 0.00 1.02 -3.73 -1.09 5.12 -1.26 -4.98 116.66 111.74 1i0u n ARG 37 Ca 0.00 -0.38 -0.36 0.00 -1.93 0.00 0.00 57.85 55.18 1i0u n ARG 37 Cb 0.00 -0.88 -0.10 0.00 -1.16 0.00 0.00 32.46 30.32 1i0u n ARG 37 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1i0u s ARG 38 N -0.26 3.95 -0.04 5.56 3.52 -1.01 -5.02 118.95 125.64 1i0u s ARG 38 Ca 0.00 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.14 1i0u s ARG 38 Cb 0.00 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1i0u s ARG 38 CO 0.00 0.01 0.33 0.00 -0.81 0.00 0.00 175.30 174.83 1i0u s GLU 40 N -1.00 1.27 0.42 0.00 2.12 0.05 -4.91 118.70 116.64 1i0u s GLU 40 Ca 0.21 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 55.17 1i0u s GLU 40 Cb -0.15 0.58 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 1i0u s GLU 40 CO 0.10 -0.55 0.43 0.34 -0.54 0.00 0.00 175.26 175.04 1i0u s ASP 41 N -2.70 5.22 0.85 -1.70 2.15 -1.26 -1.36 116.67 117.86 1i0u s ASP 41 Ca 0.01 -0.66 -0.11 0.00 0.43 0.00 0.00 52.55 52.22 1i0u s ASP 41 Cb -0.01 -0.59 0.10 0.00 -0.30 0.00 0.00 42.92 42.12 1i0u s ASP 41 CO -0.12 -0.68 1.11 -0.51 -0.17 0.00 0.00 175.17 174.79 1i0u s ILE 42 N -2.44 2.80 -0.31 4.11 2.07 -1.26 -4.98 121.20 121.18 1i0u s ILE 42 Ca 0.50 0.26 -0.09 0.00 -1.41 0.00 0.00 60.65 59.90 1i0u s ILE 42 Cb -0.05 -2.59 -0.01 0.00 0.13 0.00 0.00 42.46 39.94 1i0u s ILE 42 CO 0.29 -0.34 0.15 -0.62 -1.91 0.00 0.00 174.94 172.51 1i0u s ASP 43 N -3.15 5.52 0.27 4.50 -1.08 -1.26 -4.93 116.67 116.55 1i0u s ASP 43 Ca 0.63 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 52.26 1i0u s ASP 43 Cb -0.19 -2.00 0.32 0.00 -1.46 0.00 0.00 42.92 39.59 1i0u s ASP 43 CO 0.57 -0.19 1.58 -0.33 0.52 0.00 0.00 175.17 177.32 1i0u h GLU 44 N 8.34 0.00 0.11 4.34 3.07 -1.94 -3.12 114.58 125.39 1i0u h GLU 44 Ca -0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1i0u h GLU 44 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1i0u h GLU 44 CO 0.61 0.62 -0.05 0.00 -1.40 0.00 0.00 179.01 178.79 1i0u h GLN 46 N -0.23 0.18 -6.59 0.00 1.08 -1.96 -3.38 115.11 104.20 1i0u h GLN 46 Ca -0.01 -0.01 -0.51 0.00 -1.45 0.00 0.00 58.65 56.66 1i0u h GLN 46 Cb 0.11 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1i0u h GLN 46 CO 0.02 0.12 0.37 0.34 -0.95 0.00 0.00 178.83 178.74 1i0u s ASP 47 N -4.97 7.50 -1.05 1.46 -1.08 -1.18 -4.94 116.67 112.41 1i0u s ASP 47 Ca -0.11 1.83 -0.23 0.00 -0.52 0.00 0.00 52.55 53.52 1i0u s ASP 47 Cb 0.28 -2.59 -0.06 0.00 -1.46 0.00 0.00 42.92 39.09 1i0u s ASP 47 CO 0.78 -0.05 1.91 -2.16 0.52 0.00 0.00 175.17 176.17 1i0u s PRO 48 N -0.15 2.62 0.00 4.34 0.04 -1.26 -4.09 135.00 136.50 1i0u s PRO 48 Ca 0.47 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1i0u s PRO 48 Cb -0.24 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1i0u s PRO 48 CO 0.30 -3.56 0.00 -3.47 0.04 0.00 0.00 177.00 170.31 1i0u n ASP 49 N 13.76 0.00 0.00 6.66 2.03 -1.26 -5.05 116.55 132.68 1i0u n ASP 49 Ca 0.42 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1i0u n ASP 49 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1i0u n ASP 49 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1i0u n THR 50 N -1.58 0.00 -3.90 5.18 -2.24 -1.24 -5.04 114.28 105.45 1i0u n THR 50 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1i0u n THR 50 Cb 0.00 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1i0u n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i0u h SER 52 N 1.24 -1.41 0.00 0.00 0.87 -1.91 -3.45 113.55 108.88 1i0u h SER 52 Ca -0.42 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1i0u h SER 52 Cb 1.26 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 1i0u h SER 52 CO 0.64 -0.34 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 1i0u n GLN 53 N -4.79 0.00 -0.99 2.24 1.13 -1.26 -5.09 117.38 108.62 1i0u n GLN 53 Ca -0.04 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.69 1i0u n GLN 53 Cb 0.28 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.75 1i0u n GLN 53 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1i0u n LEU 54 N 0.00 2.34 0.00 1.08 4.77 -1.26 -4.92 117.00 119.01 1i0u n LEU 54 Ca 0.00 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1i0u n LEU 54 Cb 0.00 -1.37 0.01 0.00 -2.33 0.00 0.00 43.42 39.73 1i0u n LEU 54 CO 0.00 -2.55 0.22 0.00 -1.33 0.00 0.00 177.39 173.73 1i0u s VAL 56 N -2.61 -0.87 0.54 0.00 0.11 0.94 -4.70 120.40 113.81 1i0u s VAL 56 Ca 0.06 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1i0u s VAL 56 Cb -0.02 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1i0u s VAL 56 CO 0.04 -0.11 0.87 0.21 -3.33 0.00 0.00 175.10 172.78 1i0u s ASN 57 N 2.61 6.05 0.00 3.54 2.47 -1.26 -1.43 114.94 126.92 1i0u s ASN 57 Ca 0.11 0.96 0.00 0.00 0.42 0.00 0.00 52.86 54.35 1i0u s ASN 57 Cb -0.10 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1i0u s ASN 57 CO -0.25 -0.79 0.00 0.00 -3.72 0.00 0.00 177.10 172.34 1i0u n LEU 58 N -2.46 0.00 -4.53 3.21 -0.00 -1.26 -4.86 117.00 107.10 1i0u n LEU 58 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.70 1i0u n LEU 58 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1i0u n LEU 58 CO 0.54 0.00 1.70 1.21 -0.00 0.00 0.00 177.39 180.84 1i0u n GLU 59 N 0.00 2.14 -0.29 1.47 2.13 -1.26 -4.17 120.64 120.66 1i0u n GLU 59 Ca 0.00 -2.71 0.00 0.00 0.66 0.00 0.00 57.16 55.11 1i0u n GLU 59 Cb 0.00 -3.62 0.00 0.00 0.27 0.00 0.00 31.44 28.09 1i0u n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i0u n GLY 60 N 5.59 0.00 0.33 8.31 0.00 -1.26 -4.69 105.19 113.46 1i0u n GLY 60 Ca 0.46 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.59 1i0u n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i0u n GLY 61 N -1.89 -0.25 3.45 -0.02 0.00 -1.26 -4.96 105.19 100.26 1i0u n GLY 61 Ca 0.00 -0.30 -0.50 0.00 0.00 0.00 0.00 46.02 45.22 1i0u n GLY 61 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1i0u n TYR 62 N -0.14 0.04 -4.15 1.61 4.11 -1.26 -4.86 117.16 112.51 1i0u n TYR 62 Ca 0.16 0.94 -0.12 0.00 -0.00 0.00 0.00 57.90 58.88 1i0u n TYR 62 Cb 0.22 -2.04 -0.10 0.00 -0.00 0.00 0.00 39.34 37.42 1i0u n TYR 62 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1i0u s LYS 63 N -0.79 0.77 0.66 -3.48 1.02 -0.51 -4.97 119.74 112.44 1i0u s LYS 63 Ca 0.70 -1.17 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 1i0u s LYS 63 Cb -0.98 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1i0u s LYS 63 CO 0.56 0.02 1.00 0.00 -0.92 0.00 0.00 175.35 176.01 1i0u n GLN 65 N -2.83 0.00 -4.04 0.00 6.02 -0.53 -4.72 117.38 111.28 1i0u n GLN 65 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 1i0u n GLN 65 Cb 0.58 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.73 1i0u n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i0u n GLU 67 N 1.08 3.30 0.00 0.00 0.00 -1.26 -4.61 120.64 119.15 1i0u n GLU 67 Ca -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 57.16 53.42 1i0u n GLU 67 Cb 0.57 -3.22 0.00 0.00 0.00 0.00 0.00 31.44 28.79 1i0u n GLU 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1i0u n GLU 68 N 6.55 0.00 0.30 5.31 1.02 -1.26 -2.51 120.64 130.06 1i0u n GLU 68 Ca 0.43 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.74 1i0u n GLU 68 Cb 0.43 0.00 0.98 0.00 -0.02 0.00 0.00 31.44 32.83 1i0u n GLU 68 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1i0u h GLY 69 N 0.00 0.00 -1.62 0.62 0.00 -1.96 -3.43 103.07 96.67 1i0u h GLY 69 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1i0u h GLY 69 CO 0.00 0.00 0.38 -1.36 0.00 0.00 0.00 176.54 175.56 1i0u s PHE 70 N -4.40 3.07 0.33 5.60 0.40 -1.04 -1.41 117.98 120.52 1i0u s PHE 70 Ca -0.05 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.80 1i0u s PHE 70 Cb 0.14 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1i0u s PHE 70 CO 0.51 -1.08 0.14 -0.65 0.70 0.00 0.00 175.22 174.84 1i0u s GLN 71 N -4.35 1.66 -0.70 0.44 -1.52 0.05 -4.68 119.66 110.55 1i0u s GLN 71 Ca 0.62 -1.96 -0.27 0.00 -1.95 0.00 0.00 55.36 51.80 1i0u s GLN 71 Cb -0.15 -0.30 0.03 0.00 -0.22 0.00 0.00 33.01 32.37 1i0u s GLN 71 CO 0.41 -0.42 1.28 -1.17 -0.25 0.00 0.00 175.29 175.15 1i0u s LEU 72 N -3.43 3.23 0.12 2.90 2.96 -1.26 -2.68 118.68 120.51 1i0u s LEU 72 Ca 0.33 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 1i0u s LEU 72 Cb 0.05 -2.69 -0.06 0.00 0.50 0.00 0.00 46.19 43.98 1i0u s LEU 72 CO 0.16 -1.78 1.15 -0.62 -1.32 0.00 0.00 176.35 173.95 1i0u s ASP 73 N 3.69 7.16 0.83 3.68 2.15 -0.60 -4.94 116.67 128.65 1i0u s ASP 73 Ca 0.38 2.05 -0.12 0.00 0.43 0.00 0.00 52.55 55.29 1i0u s ASP 73 Cb -0.08 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 40.04 1i0u s ASP 73 CO 0.17 -0.35 1.12 -2.16 -0.17 0.00 0.00 175.17 173.78 1i0u s PRO 74 N 0.37 1.83 0.00 4.34 0.04 -1.26 -0.34 135.00 139.98 1i0u s PRO 74 Ca 0.54 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1i0u s PRO 74 Cb -0.29 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1i0u s PRO 74 CO 0.32 -1.76 0.00 0.72 0.04 0.00 0.00 177.00 176.32 1i0u n HIS 75 N -3.50 0.00 0.00 0.56 8.25 -1.26 -4.28 115.22 115.00 1i0u n HIS 75 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1i0u n HIS 75 Cb 0.58 -1.37 0.00 0.00 1.12 0.00 0.00 29.99 30.31 1i0u n HIS 75 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1i0u n THR 76 N -2.03 0.00 -1.39 1.59 -2.24 -1.25 -5.02 114.28 103.94 1i0u n THR 76 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1i0u n THR 76 Cb 0.09 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 1i0u n THR 76 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i0u n LYS 77 N -1.28 -1.22 -3.82 -0.78 5.02 0.54 -4.98 118.16 111.64 1i0u n LYS 77 Ca 0.00 0.96 -0.28 0.00 -2.02 0.00 0.00 58.31 56.97 1i0u n LYS 77 Cb 0.00 -5.15 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 1i0u n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i0u s ALA 78 N -2.36 3.91 0.08 7.82 0.00 -1.22 -4.76 121.76 125.22 1i0u s ALA 78 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1i0u s ALA 78 Cb 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1i0u s ALA 78 CO 0.00 0.54 0.50 0.00 0.00 0.00 0.00 175.76 176.80 1i0u s LYS 80 N -1.48 1.21 -0.30 0.00 -2.85 -1.09 -3.51 119.74 111.72 1i0u s LYS 80 Ca 0.31 -0.35 -0.42 0.00 -1.00 0.00 0.00 55.97 54.51 1i0u s LYS 80 Cb -0.17 0.56 -0.17 0.00 -2.06 0.00 0.00 37.83 35.99 1i0u s LYS 80 CO 0.17 -0.51 1.63 0.00 0.10 0.00 0.00 175.35 176.75 1i0u n ALA 81 N -0.18 -0.80 0.00 0.59 0.00 -1.26 -0.77 120.51 118.08 1i0u n ALA 81 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1i0u n ALA 81 Cb 0.64 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1i0u n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05