#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5s s GLY 5 N 0.00 1.02 0.00 0.62 0.00 -1.26 -2.56 107.32 105.15 3i5s s GLY 5 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 3i5s s GLY 5 CO 0.00 -1.28 0.30 -0.19 0.00 0.00 0.00 173.10 171.93 3i5s s TYR 6 N -1.96 3.61 -0.04 1.90 2.02 0.54 -1.73 117.35 121.68 3i5s s TYR 6 Ca 0.06 0.67 0.03 0.00 -0.37 0.00 0.00 57.07 57.47 3i5s s TYR 6 Cb -0.06 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3i5s s TYR 6 CO 0.03 0.62 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.85 3i5s s GLN 7 N -1.57 2.52 0.21 -0.62 -0.21 -0.57 0.28 119.66 119.70 3i5s s GLN 7 Ca 0.26 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 55.00 3i5s s GLN 7 Cb -0.14 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 3i5s s GLN 7 CO 0.14 0.62 -0.05 0.71 -2.12 0.00 0.00 175.29 174.60 3i5s s TYR 8 N -0.79 1.54 -0.02 0.91 2.02 0.12 -1.42 117.35 119.70 3i5s s TYR 8 Ca 0.12 -0.82 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 3i5s s TYR 8 Cb -0.11 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 3i5s s TYR 8 CO 0.02 0.07 -0.08 0.50 -1.57 0.00 0.00 175.55 174.48 3i5s s ARG 9 N -3.79 0.87 0.24 -0.62 3.52 0.02 -1.46 118.95 117.73 3i5s s ARG 9 Ca 0.25 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 3i5s s ARG 9 Cb 0.04 -0.83 -0.10 0.00 -1.56 0.00 0.00 34.95 32.51 3i5s s ARG 9 CO 0.07 0.11 1.44 0.00 -0.81 0.00 0.00 175.30 176.10 3i5s s ALA 10 N 0.17 3.63 -0.16 6.12 0.00 -0.65 -1.35 121.76 129.52 3i5s s ALA 10 Ca -0.02 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.33 3i5s s ALA 10 Cb -0.08 -3.55 -0.23 0.00 0.00 0.00 0.00 23.12 19.26 3i5s s ALA 10 CO 0.00 -0.72 0.21 1.28 0.00 0.00 0.00 175.76 176.53 3i5s n LEU 11 N 2.51 1.26 -4.29 0.00 4.77 -0.17 -1.99 117.00 119.08 3i5s n LEU 11 Ca 0.07 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 3i5s n LEU 11 Cb 0.40 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3i5s n LEU 11 CO 0.60 0.62 -0.36 -0.31 -1.33 0.00 0.00 177.39 176.61 3i5s s TYR 12 N -2.54 1.43 0.09 -1.77 2.02 -1.25 -4.78 117.35 110.56 3i5s s TYR 12 Ca -0.16 -0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 55.38 3i5s s TYR 12 Cb 0.07 -0.79 -0.06 0.00 -0.40 0.00 0.00 41.96 40.78 3i5s s TYR 12 CO 0.77 -0.00 1.09 -0.51 -1.57 0.00 0.00 175.55 175.33 3i5s s ASP 13 N -3.25 7.25 -0.12 2.29 1.11 -1.26 -4.04 116.67 118.66 3i5s s ASP 13 Ca 0.24 1.94 0.03 0.00 0.18 0.00 0.00 52.55 54.94 3i5s s ASP 13 Cb 0.04 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3i5s s ASP 13 CO 0.05 -0.29 -0.23 -0.47 1.18 0.00 0.00 175.17 175.41 3i5s s TYR 14 N 0.49 2.60 -0.23 4.23 5.04 -0.09 -4.96 117.35 124.43 3i5s s TYR 14 Ca 0.53 -1.17 -0.14 0.00 -2.44 0.00 0.00 57.07 53.85 3i5s s TYR 14 Cb -0.27 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.25 3i5s s TYR 14 CO 0.31 -0.50 0.31 -1.59 -1.34 0.00 0.00 175.55 172.74 3i5s s LYS 15 N 0.53 4.11 0.59 4.97 -2.85 -1.26 -1.70 119.74 124.13 3i5s s LYS 15 Ca -0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 55.97 54.64 3i5s s LYS 15 Cb -0.17 -3.55 -0.04 0.00 -2.06 0.00 0.00 37.83 32.01 3i5s s LYS 15 CO 0.05 -0.04 1.16 0.36 0.10 0.00 0.00 175.35 176.98 3i5s n LYS 16 N 4.53 1.18 0.00 1.78 2.85 -1.26 -4.99 118.16 122.25 3i5s n LYS 16 Ca -0.11 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 3i5s n LYS 16 Cb 0.51 -2.37 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3i5s n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i5s n GLU 17 N -1.24 0.00 -0.96 -1.58 1.02 -1.26 -5.05 120.64 111.57 3i5s n GLU 17 Ca 0.13 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.97 3i5s n GLU 17 Cb 0.46 -0.09 0.14 0.00 -0.02 0.00 0.00 31.44 31.93 3i5s n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i5s s ARG 18 N -0.57 1.41 0.56 3.49 0.52 -1.26 -4.90 118.95 118.21 3i5s s ARG 18 Ca 0.00 1.29 0.28 0.00 -0.52 0.00 0.00 55.73 56.78 3i5s s ARG 18 Cb 0.00 -1.79 1.67 0.00 0.52 0.00 0.00 34.95 35.35 3i5s s ARG 18 CO 0.00 -2.27 2.19 1.49 0.02 0.00 0.00 175.30 176.73 3i5s h GLU 19 N -1.59 0.00 -0.00 3.54 4.81 -2.03 -2.51 114.58 116.79 3i5s h GLU 19 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3i5s h GLU 19 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3i5s h GLU 19 CO 0.47 0.04 -0.37 0.39 -0.73 0.00 0.00 179.01 178.81 3i5s n GLU 20 N -3.82 0.51 -1.32 1.92 4.71 -1.26 -4.91 120.64 116.47 3i5s n GLU 20 Ca -0.03 -0.31 -0.29 0.00 -0.01 0.00 0.00 57.16 56.52 3i5s n GLU 20 Cb 0.13 -1.49 0.20 0.00 -1.01 0.00 0.00 31.44 29.27 3i5s n GLU 20 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3i5s s ASP 21 N -2.70 2.09 0.10 1.62 1.01 -0.95 -1.19 116.67 116.65 3i5s s ASP 21 Ca 0.19 0.74 0.01 0.00 0.71 0.00 0.00 52.55 54.20 3i5s s ASP 21 Cb 0.18 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 3i5s s ASP 21 CO 0.60 -3.41 -0.05 0.27 0.21 0.00 0.00 175.17 172.78 3i5s s ILE 22 N -3.19 0.62 -0.03 0.77 -4.36 -0.79 -4.52 121.20 109.69 3i5s s ILE 22 Ca 0.69 -1.93 -0.24 0.00 -0.26 0.00 0.00 60.65 58.91 3i5s s ILE 22 Cb -0.11 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 3i5s s ILE 22 CO 0.55 -0.82 0.71 -1.81 0.24 0.00 0.00 174.94 173.82 3i5s s ASP 23 N -3.05 7.05 -0.09 4.36 -0.00 -1.26 -4.21 116.67 119.46 3i5s s ASP 23 Ca 0.13 1.26 -0.03 0.00 -0.00 0.00 0.00 52.55 53.91 3i5s s ASP 23 Cb 0.06 -2.42 -0.03 0.00 -0.00 0.00 0.00 42.92 40.52 3i5s s ASP 23 CO -0.04 -0.07 0.04 -0.76 -0.00 0.00 0.00 175.17 174.34 3i5s s LEU 24 N 0.50 3.80 0.06 1.23 1.43 -0.69 -4.96 118.68 120.06 3i5s s LEU 24 Ca 0.38 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 3i5s s LEU 24 Cb -0.18 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3i5s s LEU 24 CO 0.19 0.38 -0.22 -1.00 0.23 0.00 0.00 176.35 175.94 3i5s s HIS 25 N -0.93 2.44 -0.01 0.29 3.76 -1.26 -0.91 115.29 118.67 3i5s s HIS 25 Ca 0.14 -0.33 -0.38 0.00 -0.15 0.00 0.00 55.06 54.34 3i5s s HIS 25 Cb -0.12 -1.40 -0.17 0.00 1.11 0.00 0.00 32.58 32.00 3i5s s HIS 25 CO 0.03 0.23 1.35 -0.11 -0.85 0.00 0.00 174.74 175.39 3i5s n LEU 26 N 1.47 1.36 0.00 0.89 7.94 -1.26 -1.20 117.00 126.20 3i5s n LEU 26 Ca -0.17 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3i5s n LEU 26 Cb 0.52 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.36 3i5s n LEU 26 CO 0.25 -1.14 0.00 0.61 -1.11 0.00 0.00 177.39 176.00 3i5s n GLY 27 N 2.58 3.25 3.61 -3.96 0.00 -0.84 -4.98 105.19 104.84 3i5s n GLY 27 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3i5s n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5s n ASP 28 N 0.05 1.58 -4.64 1.61 9.92 -0.34 -4.58 116.55 120.14 3i5s n ASP 28 Ca 0.00 1.18 -0.35 0.00 -0.53 0.00 0.00 54.79 55.10 3i5s n ASP 28 Cb 0.00 -1.32 -0.10 0.00 -0.64 0.00 0.00 41.12 39.06 3i5s n ASP 28 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3i5s s ILE 29 N -0.99 4.71 0.04 0.53 -1.09 -1.26 -1.63 121.20 121.51 3i5s s ILE 29 Ca 0.59 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 59.00 3i5s s ILE 29 Cb -0.69 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3i5s s ILE 29 CO 0.60 0.49 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.88 3i5s s LEU 30 N 0.14 2.18 -0.08 2.97 1.02 -0.53 -0.27 118.68 124.11 3i5s s LEU 30 Ca 0.04 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.73 3i5s s LEU 30 Cb -0.12 -0.66 -0.02 0.00 0.02 0.00 0.00 46.19 45.40 3i5s s LEU 30 CO 0.01 0.05 -0.15 -0.89 0.02 0.00 0.00 176.35 175.39 3i5s s THR 31 N -0.87 2.99 -0.10 5.49 2.01 -0.38 -0.71 115.64 124.07 3i5s s THR 31 Ca 0.02 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3i5s s THR 31 Cb -0.08 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.24 3i5s s THR 31 CO 0.01 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 3i5s s VAL 32 N -0.31 2.01 0.20 3.82 1.01 0.14 -0.84 120.40 126.44 3i5s s VAL 32 Ca 0.02 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3i5s s VAL 32 Cb -0.13 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 3i5s s VAL 32 CO 0.03 0.55 1.21 0.21 0.00 0.00 0.00 175.10 177.10 3i5s s ASN 33 N 0.37 7.05 0.36 3.32 3.04 -1.26 -0.34 114.94 127.48 3i5s s ASN 33 Ca -0.18 2.28 0.10 0.00 0.04 0.00 0.00 52.86 55.10 3i5s s ASN 33 Cb -0.18 -2.61 0.86 0.00 -1.54 0.00 0.00 41.25 37.78 3i5s s ASN 33 CO 0.08 -0.39 1.85 0.50 -3.04 0.00 0.00 177.10 176.11 3i5s h LYS 34 N 5.10 0.63 -0.27 0.43 3.64 -1.87 -0.93 116.57 123.29 3i5s h LYS 34 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3i5s h LYS 34 Cb 1.21 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3i5s h LYS 34 CO 0.74 0.42 0.11 0.78 -2.27 0.00 0.00 179.45 179.23 3i5s h GLY 35 N 0.65 0.40 0.84 5.01 0.00 -1.91 -1.82 103.07 106.23 3i5s h GLY 35 Ca 0.47 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3i5s h GLY 35 CO -0.22 0.17 0.27 1.76 0.00 0.00 0.00 176.54 178.52 3i5s h SER 36 N 0.38 0.42 -0.16 0.19 0.02 -1.55 -0.84 113.55 112.01 3i5s h SER 36 Ca 0.10 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 3i5s h SER 36 Cb 0.08 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3i5s h SER 36 CO -0.01 0.30 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.28 3i5s h LEU 37 N 0.54 0.83 -0.00 5.07 3.38 -1.51 -3.14 115.31 120.48 3i5s h LEU 37 Ca 0.20 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3i5s h LEU 37 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3i5s h LEU 37 CO -0.11 1.30 -0.16 0.58 0.09 0.00 0.00 178.44 180.15 3i5s h VAL 38 N 0.41 0.61 0.00 1.22 2.07 -1.21 -1.45 116.25 117.89 3i5s h VAL 38 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i5s h VAL 38 Cb 1.26 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3i5s h VAL 38 CO 0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.72 3i5s n ALA 39 N -2.49 1.94 0.28 1.67 0.00 -0.33 -0.43 120.51 121.15 3i5s n ALA 39 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.41 3i5s n ALA 39 Cb 0.21 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3i5s n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i5s n LEU 40 N -0.56 1.32 -0.47 0.00 4.77 -0.58 -5.00 117.00 116.48 3i5s n LEU 40 Ca 0.01 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3i5s n LEU 40 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3i5s n LEU 40 CO 0.01 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i5s n GLY 41 N 0.53 0.94 2.73 -0.72 0.00 0.43 -5.01 105.19 104.09 3i5s n GLY 41 Ca 0.03 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3i5s n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5s n PHE 42 N -2.51 3.25 -2.34 1.61 3.72 -0.97 -4.98 117.46 115.24 3i5s n PHE 42 Ca 0.00 -3.43 -0.26 0.00 -0.05 0.00 0.00 57.45 53.71 3i5s n PHE 42 Cb 0.49 -0.83 0.13 0.00 -0.94 0.00 0.00 39.48 38.33 3i5s n PHE 42 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3i5s s SER 43 N -2.36 4.03 0.00 4.37 1.04 -1.26 -4.48 113.70 115.04 3i5s s SER 43 Ca 0.40 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3i5s s SER 43 Cb 0.17 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3i5s s SER 43 CO -0.04 -2.09 0.00 0.47 0.98 0.00 0.00 173.24 172.56 3i5s n ASP 44 N -3.13 -1.35 -1.59 7.02 10.43 -1.26 -4.45 116.55 122.23 3i5s n ASP 44 Ca 0.14 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.38 3i5s n ASP 44 Cb 0.60 -0.22 0.01 0.00 1.84 0.00 0.00 41.12 43.35 3i5s n ASP 44 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i5s n GLY 45 N -2.45 0.01 0.28 0.44 0.00 -1.26 -4.91 105.19 97.29 3i5s n GLY 45 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.83 3i5s n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i5s h GLN 46 N -0.54 0.00 -0.68 1.61 7.50 -1.81 -2.86 115.11 118.33 3i5s h GLN 46 Ca -0.28 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.07 3i5s h GLN 46 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.70 3i5s h GLN 46 CO 0.31 0.08 0.64 1.05 -1.50 0.00 0.00 178.83 179.40 3i5s h GLU 47 N 0.00 0.00 0.00 1.46 9.09 -1.91 0.39 114.58 123.61 3i5s h GLU 47 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5s h GLU 47 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3i5s h GLU 47 CO 0.01 0.00 -0.58 0.00 0.05 0.00 0.00 179.01 178.49 3i5s n ALA 48 N -2.45 3.06 -3.57 1.06 0.00 -1.08 -4.28 120.51 113.25 3i5s n ALA 48 Ca 0.14 -0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 3i5s n ALA 48 Cb 0.89 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 3i5s n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i5s n ARG 49 N -1.94 1.65 0.20 0.00 1.74 0.14 -4.66 116.66 113.78 3i5s n ARG 49 Ca 0.04 -4.17 0.09 0.00 -0.77 0.00 0.00 57.85 53.04 3i5s n ARG 49 Cb 0.41 -2.04 0.62 0.00 -1.02 0.00 0.00 32.46 30.43 3i5s n ARG 49 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i5s h PRO 50 N 4.85 0.07 -0.00 5.56 0.13 -1.73 -0.69 132.00 140.19 3i5s h PRO 50 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3i5s h PRO 50 Cb 0.76 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3i5s h PRO 50 CO 0.67 0.05 0.02 1.05 -0.23 0.00 0.00 178.00 179.56 3i5s h GLU 51 N 0.07 0.00 0.00 0.86 9.09 -1.85 0.28 114.58 123.03 3i5s h GLU 51 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 3i5s h GLU 51 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3i5s h GLU 51 CO -0.01 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.44 3i5s n GLU 52 N -3.18 0.29 -0.07 1.06 -0.58 -0.26 -3.82 120.64 114.07 3i5s n GLU 52 Ca -0.03 0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 3i5s n GLU 52 Cb 0.09 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.31 3i5s n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3i5s n ILE 53 N -1.34 1.01 0.00 -3.67 5.41 0.97 -5.04 119.36 116.70 3i5s n ILE 53 Ca 0.11 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 63.13 3i5s n ILE 53 Cb 0.25 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 3i5s n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i5s n GLY 54 N 1.70 2.20 3.20 7.39 0.00 -1.22 -4.86 105.19 113.60 3i5s n GLY 54 Ca -0.25 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3i5s n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i5s s TRP 55 N 0.00 1.71 0.22 1.61 0.52 -1.26 -0.88 118.94 120.86 3i5s s TRP 55 Ca 0.00 -0.33 0.10 0.00 0.02 0.00 0.00 56.10 55.89 3i5s s TRP 55 Cb 0.00 -1.09 -0.05 0.00 -1.15 0.00 0.00 33.47 31.18 3i5s s TRP 55 CO 0.00 -0.02 -0.18 -0.51 0.02 0.00 0.00 176.95 176.27 3i5s s LEU 56 N -0.51 2.54 -0.11 2.99 1.43 0.15 -4.86 118.68 120.31 3i5s s LEU 56 Ca 0.07 -0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3i5s s LEU 56 Cb -0.07 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3i5s s LEU 56 CO -0.01 -0.06 -0.07 0.21 0.23 0.00 0.00 176.35 176.66 3i5s s ASN 57 N -3.23 2.12 0.00 2.29 3.84 -1.26 -1.19 114.94 117.51 3i5s s ASN 57 Ca 0.24 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.02 3i5s s ASN 57 Cb -0.03 -0.81 0.00 0.00 -0.55 0.00 0.00 41.25 39.85 3i5s s ASN 57 CO 0.10 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.90 3i5s n GLY 58 N 4.92 1.87 3.42 1.21 0.00 -1.03 -4.52 105.19 111.07 3i5s n GLY 58 Ca -0.12 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3i5s n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i5s s TYR 59 N -7.56 2.99 -0.82 1.61 5.04 -0.02 -2.33 117.35 116.27 3i5s s TYR 59 Ca 0.00 -0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 53.81 3i5s s TYR 59 Cb 0.00 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.30 3i5s s TYR 59 CO 0.00 -0.27 1.33 1.21 -1.34 0.00 0.00 175.55 176.47 3i5s s ASN 60 N 0.94 6.26 0.56 4.32 3.84 0.05 -1.24 114.94 129.66 3i5s s ASN 60 Ca 0.00 -0.75 0.29 0.00 0.21 0.00 0.00 52.86 52.62 3i5s s ASN 60 Cb -0.14 -2.56 1.46 0.00 -0.55 0.00 0.00 41.25 39.46 3i5s s ASN 60 CO 0.01 -1.74 1.90 -0.33 -2.79 0.00 0.00 177.10 174.16 3i5s h GLU 61 N 9.96 0.00 0.15 0.43 4.39 -0.94 0.19 114.58 128.76 3i5s h GLU 61 Ca -0.14 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.22 3i5s h GLU 61 Cb 1.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3i5s h GLU 61 CO 1.32 0.00 -1.75 1.15 -1.16 0.00 0.00 179.01 178.57 3i5s h THR 62 N 0.00 0.85 0.00 1.13 2.02 -1.89 -3.38 112.91 111.64 3i5s h THR 62 Ca 0.31 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.03 3i5s h THR 62 Cb 1.40 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.46 3i5s h THR 62 CO -0.00 0.83 -1.66 0.35 0.37 0.00 0.00 175.52 175.41 3i5s n THR 63 N -3.65 0.39 -0.70 3.16 -2.24 -1.08 -5.00 114.28 105.17 3i5s n THR 63 Ca -0.27 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3i5s n THR 63 Cb 1.02 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3i5s n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5s n GLY 64 N 1.28 0.62 3.79 3.38 0.00 0.66 -5.06 105.19 109.85 3i5s n GLY 64 Ca -0.05 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 3i5s n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i5s s GLU 65 N -0.71 2.52 0.04 1.61 2.02 -1.24 -4.92 118.70 118.02 3i5s s GLU 65 Ca 0.00 -1.45 0.06 0.00 0.02 0.00 0.00 54.97 53.60 3i5s s GLU 65 Cb 0.00 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 3i5s s GLU 65 CO 0.00 0.09 -0.16 0.50 0.02 0.00 0.00 175.26 175.71 3i5s s ARG 66 N -3.92 1.08 0.00 1.61 3.52 -1.26 -0.77 118.95 119.21 3i5s s ARG 66 Ca 0.39 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 3i5s s ARG 66 Cb -0.04 -1.13 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 3i5s s ARG 66 CO 0.24 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 3i5s n GLY 67 N 1.87 -0.95 3.89 8.12 0.00 -0.98 -4.80 105.19 112.34 3i5s n GLY 67 Ca -0.18 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 3i5s n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5s s ASP 68 N -4.00 6.50 -0.01 1.61 1.01 -0.34 -2.46 116.67 118.98 3i5s s ASP 68 Ca 0.00 0.92 -0.29 0.00 0.71 0.00 0.00 52.55 53.89 3i5s s ASP 68 Cb 0.00 -2.23 0.08 0.00 1.01 0.00 0.00 42.92 41.78 3i5s s ASP 68 CO 0.00 -0.28 0.71 0.72 0.21 0.00 0.00 175.17 176.54 3i5s s PHE 69 N -2.19 -0.58 0.18 4.23 -0.12 -0.34 -1.89 117.98 117.28 3i5s s PHE 69 Ca 0.47 0.83 -0.30 0.00 -0.05 0.00 0.00 56.93 57.88 3i5s s PHE 69 Cb -0.11 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 3i5s s PHE 69 CO 0.30 -0.63 1.21 -2.14 -0.05 0.00 0.00 175.22 173.91 3i5s s PRO 70 N -1.88 4.48 0.56 1.99 0.02 -1.26 -0.67 135.00 138.23 3i5s s PRO 70 Ca -0.06 1.89 0.33 0.00 0.02 0.00 0.00 61.00 63.18 3i5s s PRO 70 Cb -0.00 -3.24 1.62 0.00 0.02 0.00 0.00 34.50 32.90 3i5s s PRO 70 CO 0.03 -0.11 2.10 0.78 -0.33 0.00 0.00 177.00 179.47 3i5s h GLY 71 N 5.28 0.00 1.19 0.52 0.00 -1.21 -2.56 103.07 106.28 3i5s h GLY 71 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3i5s h GLY 71 CO 0.75 0.00 -0.00 -1.30 0.00 0.00 0.00 176.54 175.99 3i5s n THR 72 N -3.32 0.00 0.78 4.70 -2.24 -1.26 -2.77 114.28 110.16 3i5s n THR 72 Ca -0.01 -0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 3i5s n THR 72 Cb 0.23 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3i5s n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i5s n TYR 73 N -1.09 0.00 -4.66 4.78 4.02 -0.96 -4.97 117.16 114.28 3i5s n TYR 73 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.80 3i5s n TYR 73 Cb 0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.39 3i5s n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i5s s VAL 74 N -1.98 1.29 -0.09 -0.72 -7.23 -1.20 -1.00 120.40 109.47 3i5s s VAL 74 Ca 0.15 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3i5s s VAL 74 Cb 0.14 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.68 3i5s s VAL 74 CO 0.42 0.00 0.17 -0.70 -0.31 0.00 0.00 175.10 174.68 3i5s s GLU 75 N -3.81 0.05 0.07 4.82 2.12 -0.46 -4.85 118.70 116.63 3i5s s GLU 75 Ca 0.18 0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.77 3i5s s GLU 75 Cb 0.04 -0.24 -0.08 0.00 0.26 0.00 0.00 34.13 34.12 3i5s s GLU 75 CO 0.09 -0.29 1.50 -0.47 -0.54 0.00 0.00 175.26 175.56 3i5s s TYR 76 N 2.19 2.82 0.00 5.30 5.04 -1.26 -0.80 117.35 130.65 3i5s s TYR 76 Ca 0.02 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 3i5s s TYR 76 Cb -0.12 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.39 3i5s s TYR 76 CO -0.06 -3.03 0.55 0.44 -1.34 0.00 0.00 175.55 172.11 3i5s n ILE 77 N 4.43 0.17 0.00 3.14 -5.35 -0.51 -4.95 119.36 116.30 3i5s n ILE 77 Ca 0.14 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3i5s n ILE 77 Cb 0.42 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 3i5s n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i5s n GLY 78 N -0.09 0.52 3.47 3.28 0.00 -1.23 -4.98 105.19 106.17 3i5s n GLY 78 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 3i5s n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i5s s ARG 79 N -0.97 1.52 0.00 1.61 1.70 -1.26 -1.52 118.95 120.03 3i5s s ARG 79 Ca 0.00 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 3i5s s ARG 79 Cb 0.00 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3i5s s ARG 79 CO 0.00 -0.60 0.00 0.36 -1.08 0.00 0.00 175.30 173.98