#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 0.41 -0.01 0.62 0.00 -1.26 -1.96 107.32 105.13 3i5s s GLY 5 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.82 3i5s s GLY 5 CO 0.00 -0.89 0.28 -0.19 0.00 0.00 0.00 173.10 172.31 3i5s s TYR 6 N -2.01 3.61 -0.06 1.90 2.02 0.51 -1.86 117.35 121.46 3i5s s TYR 6 Ca -0.08 0.66 0.02 0.00 -0.37 0.00 0.00 57.07 57.31 3i5s s TYR 6 Cb -0.06 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3i5s s TYR 6 CO -0.02 0.63 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.83 3i5s s GLN 7 N -1.52 2.64 0.22 -0.62 -0.21 -0.53 0.16 119.66 119.80 3i5s s GLN 7 Ca 0.25 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 55.06 3i5s s GLN 7 Cb -0.14 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 3i5s s GLN 7 CO 0.14 0.63 -0.06 0.71 -2.12 0.00 0.00 175.29 174.59 3i5s s TYR 8 N -0.74 1.63 -0.02 0.91 2.02 0.08 -1.53 117.35 119.70 3i5s s TYR 8 Ca 0.11 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 3i5s s TYR 8 Cb -0.11 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 3i5s s TYR 8 CO 0.01 0.13 -0.09 0.50 -1.57 0.00 0.00 175.55 174.52 3i5s s ARG 9 N -3.77 0.91 0.24 -0.62 3.52 0.03 -1.41 118.95 117.84 3i5s s ARG 9 Ca 0.26 -0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 3i5s s ARG 9 Cb 0.04 -0.86 -0.10 0.00 -1.56 0.00 0.00 34.95 32.47 3i5s s ARG 9 CO 0.08 0.15 1.40 0.00 -0.81 0.00 0.00 175.30 176.12 3i5s s ALA 10 N 0.03 3.59 -0.16 6.12 0.00 -0.68 -1.24 121.76 129.42 3i5s s ALA 10 Ca -0.00 1.27 0.13 0.00 0.00 0.00 0.00 51.96 53.35 3i5s s ALA 10 Cb -0.07 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.29 3i5s s ALA 10 CO 0.00 -0.68 0.20 1.28 0.00 0.00 0.00 175.76 176.56 3i5s n LEU 11 N 2.31 0.84 -4.26 0.00 4.77 -0.21 -2.11 117.00 118.33 3i5s n LEU 11 Ca 0.06 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3i5s n LEU 11 Cb 0.41 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3i5s n LEU 11 CO 0.60 0.56 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.56 3i5s s TYR 12 N -2.53 1.29 0.07 -1.77 2.02 -1.25 -4.79 117.35 110.40 3i5s s TYR 12 Ca -0.13 -0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 55.31 3i5s s TYR 12 Cb 0.07 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.85 3i5s s TYR 12 CO 0.79 -0.13 1.08 -0.51 -1.57 0.00 0.00 175.55 175.21 3i5s s ASP 13 N -3.20 7.27 -0.11 2.29 1.11 -1.26 -4.07 116.67 118.69 3i5s s ASP 13 Ca 0.24 1.89 0.03 0.00 0.18 0.00 0.00 52.55 54.89 3i5s s ASP 13 Cb 0.05 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3i5s s ASP 13 CO 0.04 -0.30 -0.23 -0.47 1.18 0.00 0.00 175.17 175.40 3i5s s TYR 14 N 0.64 2.60 -0.23 4.23 5.04 -0.10 -4.96 117.35 124.58 3i5s s TYR 14 Ca 0.53 -1.12 -0.13 0.00 -2.44 0.00 0.00 57.07 53.91 3i5s s TYR 14 Cb -0.26 -1.75 -0.05 0.00 0.35 0.00 0.00 41.96 40.26 3i5s s TYR 14 CO 0.30 -0.47 0.25 0.21 -1.34 0.00 0.00 175.55 174.50 3i5s s LYS 15 N 0.49 4.10 0.62 4.97 2.20 -1.26 -1.69 119.74 129.16 3i5s s LYS 15 Ca -0.15 -0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.18 3i5s s LYS 15 Cb -0.17 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3i5s s LYS 15 CO 0.06 -0.00 1.17 0.36 -0.36 0.00 0.00 175.35 176.57 3i5s n LYS 16 N 4.45 1.10 0.00 4.03 2.85 -1.26 -4.99 118.16 124.34 3i5s n LYS 16 Ca -0.12 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 3i5s n LYS 16 Cb 0.52 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 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 -1.45 0.00 -1.07 -1.58 1.02 -1.26 -5.05 120.64 111.25 3i5s n GLU 17 Ca 0.14 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 3i5s n GLU 17 Cb 0.47 -0.09 0.14 0.00 -0.02 0.00 0.00 31.44 31.94 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 -0.62 1.33 0.55 3.49 0.52 -1.26 -4.89 118.95 118.05 3i5s s ARG 18 Ca 0.00 1.06 0.28 0.00 -0.52 0.00 0.00 55.73 56.55 3i5s s ARG 18 Cb 0.00 -1.80 1.59 0.00 0.52 0.00 0.00 34.95 35.26 3i5s s ARG 18 CO 0.00 -2.26 2.14 1.49 0.02 0.00 0.00 175.30 176.69 3i5s h GLU 19 N -1.57 0.00 -0.00 3.54 4.81 -2.03 -2.59 114.58 116.73 3i5s h GLU 19 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3i5s h GLU 19 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3i5s h GLU 19 CO 0.51 0.07 -0.36 0.39 -0.73 0.00 0.00 179.01 178.89 3i5s n GLU 20 N -3.73 0.52 -1.41 1.92 4.71 -1.26 -4.91 120.64 116.48 3i5s n GLU 20 Ca -0.02 -0.31 -0.29 0.00 -0.01 0.00 0.00 57.16 56.52 3i5s n GLU 20 Cb 0.18 -1.49 0.19 0.00 -1.01 0.00 0.00 31.44 29.30 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 -2.69 2.31 0.11 1.62 1.01 -0.98 -1.20 116.67 116.85 3i5s s ASP 21 Ca 0.19 0.69 0.01 0.00 0.71 0.00 0.00 52.55 54.15 3i5s s ASP 21 Cb 0.19 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 3i5s s ASP 21 CO 0.59 -3.27 -0.04 0.27 0.21 0.00 0.00 175.17 172.93 3i5s s ILE 22 N -3.28 0.60 -0.05 0.77 -4.36 -0.80 -4.53 121.20 109.55 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 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 3i5s s ILE 22 CO 0.55 -0.80 0.73 -1.81 0.24 0.00 0.00 174.94 173.85 3i5s s ASP 23 N -3.05 7.03 -0.09 4.36 -0.00 -1.26 -4.23 116.67 119.43 3i5s s ASP 23 Ca 0.14 1.25 -0.04 0.00 -0.00 0.00 0.00 52.55 53.90 3i5s s ASP 23 Cb 0.06 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.92 40.51 3i5s s ASP 23 CO -0.04 -0.12 0.06 -0.76 -0.00 0.00 0.00 175.17 174.32 3i5s s LEU 24 N 0.76 3.92 0.06 1.23 1.43 -0.68 -4.95 118.68 120.45 3i5s s LEU 24 Ca 0.39 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 3i5s s LEU 24 Cb -0.18 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3i5s s LEU 24 CO 0.19 0.38 -0.23 -1.00 0.23 0.00 0.00 176.35 175.93 3i5s s HIS 25 N -0.97 2.42 -0.02 0.29 3.76 -1.26 -0.92 115.29 118.59 3i5s s HIS 25 Ca 0.15 -0.34 -0.39 0.00 -0.15 0.00 0.00 55.06 54.33 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 0.04 0.21 1.35 -0.11 -0.85 0.00 0.00 174.74 175.39 3i5s n LEU 26 N 1.53 1.36 0.00 0.89 7.94 -1.26 -1.26 117.00 126.21 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 43.37 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 2.62 3.26 3.61 -3.96 0.00 -0.90 -4.98 105.19 104.84 3i5s n GLY 27 Ca 0.21 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 0.04 1.61 -4.64 1.61 9.92 -0.39 -4.58 116.55 120.12 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 -1.33 -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 -1.01 4.60 0.04 0.53 -1.09 -1.26 -1.68 121.20 121.32 3i5s s ILE 29 Ca 0.59 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.94 3i5s s ILE 29 Cb -0.68 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3i5s s ILE 29 CO 0.60 0.51 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.91 3i5s s LEU 30 N 0.02 2.17 -0.08 2.97 1.02 -0.50 -0.19 118.68 124.09 3i5s s LEU 30 Ca 0.05 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 53.77 3i5s s LEU 30 Cb -0.12 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.44 3i5s s LEU 30 CO 0.01 0.04 -0.15 -0.89 0.02 0.00 0.00 176.35 175.38 3i5s s THR 31 N -0.84 2.91 -0.11 5.49 2.01 -0.33 -0.74 115.64 124.03 3i5s s THR 31 Ca 0.02 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.30 3i5s s THR 31 Cb -0.08 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.28 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 2.08 0.18 3.82 1.01 0.12 -0.75 120.40 126.56 3i5s s VAL 32 Ca 0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 3i5s s VAL 32 Cb -0.13 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 3i5s s VAL 32 CO 0.03 0.56 1.24 0.21 0.00 0.00 0.00 175.10 177.13 3i5s s ASN 33 N 0.44 7.01 0.38 3.32 3.04 -1.26 -0.36 114.94 127.51 3i5s s ASN 33 Ca -0.16 2.28 0.12 0.00 0.04 0.00 0.00 52.86 55.14 3i5s s ASN 33 Cb -0.17 -2.61 0.92 0.00 -1.54 0.00 0.00 41.25 37.85 3i5s s ASN 33 CO 0.07 -0.44 1.85 0.50 -3.04 0.00 0.00 177.10 176.04 3i5s h LYS 34 N 5.38 0.56 -0.21 0.43 3.64 -1.76 -0.61 116.57 124.01 3i5s h LYS 34 Ca -0.44 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3i5s h LYS 34 Cb 1.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3i5s h LYS 34 CO 0.76 0.37 0.02 0.78 -2.27 0.00 0.00 179.45 179.12 3i5s h GLY 35 N 0.58 0.32 0.90 5.01 0.00 -1.91 -1.85 103.07 106.11 3i5s h GLY 35 Ca 0.47 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.67 3i5s h GLY 35 CO -0.21 0.15 0.29 1.76 0.00 0.00 0.00 176.54 178.52 3i5s h SER 36 N 0.29 0.47 -0.17 0.19 0.02 -1.49 -0.95 113.55 111.91 3i5s h SER 36 Ca 0.07 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 3i5s h SER 36 Cb 0.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3i5s h SER 36 CO 0.00 0.33 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.41 3i5s h LEU 37 N 0.57 0.78 0.06 5.07 3.38 -1.51 -3.13 115.31 120.53 3i5s h LEU 37 Ca 0.19 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3i5s h LEU 37 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3i5s h LEU 37 CO -0.08 1.23 -0.21 0.58 0.09 0.00 0.00 178.44 180.06 3i5s h VAL 38 N 0.36 0.53 0.00 1.22 2.07 -1.24 -1.26 116.25 117.92 3i5s h VAL 38 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i5s h VAL 38 Cb 1.17 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3i5s h VAL 38 CO 0.12 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.71 3i5s n ALA 39 N -2.54 1.87 0.26 1.67 0.00 -0.37 -0.43 120.51 120.96 3i5s n ALA 39 Ca -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3i5s n ALA 39 Cb 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 1.36 -0.48 0.00 4.77 -0.51 -5.00 117.00 116.58 3i5s n LEU 40 Ca 0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 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 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3i5s n GLY 41 N 0.44 0.94 2.74 -0.72 0.00 0.43 -5.02 105.19 104.00 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 -2.52 3.26 -2.35 1.61 3.72 -0.98 -4.98 117.46 115.22 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 -2.37 4.01 0.00 4.37 1.04 -1.26 -4.47 113.70 115.01 3i5s s SER 43 Ca 0.40 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3i5s s SER 43 Cb 0.17 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.08 3i5s s SER 43 CO -0.04 -2.11 0.00 0.47 0.98 0.00 0.00 173.24 172.54 3i5s n ASP 44 N -3.13 -1.40 -1.63 7.02 10.43 -1.26 -4.44 116.55 122.14 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 -0.23 0.01 0.00 1.84 0.00 0.00 41.12 43.34 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 -2.47 -0.02 0.28 0.44 0.00 -1.26 -4.92 105.19 97.24 3i5s n GLY 45 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.53 0.00 -0.71 1.61 7.50 -1.81 -2.83 115.11 118.34 3i5s h GLN 46 Ca -0.29 0.00 0.21 0.00 0.50 0.00 0.00 58.65 59.07 3i5s h GLN 46 Cb 1.20 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.70 3i5s h GLN 46 CO 0.32 0.07 0.68 1.05 -1.50 0.00 0.00 178.83 179.45 3i5s h GLU 47 N 0.00 0.00 0.00 1.46 9.09 -1.91 0.40 114.58 123.62 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 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3i5s h GLU 47 CO 0.01 0.00 -0.61 0.00 0.05 0.00 0.00 179.01 178.46 3i5s n ALA 48 N -2.44 3.23 -3.56 1.06 0.00 -1.07 -4.28 120.51 113.46 3i5s n ALA 48 Ca 0.15 -0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 3i5s n ALA 48 Cb 0.93 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.83 1.66 0.22 0.00 1.74 0.14 -4.67 116.66 113.92 3i5s n ARG 49 Ca 0.04 -4.17 0.10 0.00 -0.77 0.00 0.00 57.85 53.05 3i5s n ARG 49 Cb 0.39 -2.03 0.65 0.00 -1.02 0.00 0.00 32.46 30.46 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 4.81 0.00 0.00 5.56 0.13 -1.74 -0.68 132.00 140.08 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 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3i5s h PRO 50 CO 0.67 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.49 3i5s h GLU 51 N 0.00 0.00 0.00 0.86 9.09 -1.85 0.20 114.58 122.88 3i5s h GLU 51 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3i5s h GLU 51 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 3i5s h GLU 51 CO -0.00 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.45 3i5s n GLU 52 N -3.26 0.25 -0.08 1.06 -0.58 -0.26 -3.81 120.64 113.96 3i5s n GLU 52 Ca -0.03 0.05 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 3i5s n GLU 52 Cb 0.08 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.36 1.03 0.00 -3.67 5.41 0.70 -5.04 119.36 116.43 3i5s n ILE 53 Ca 0.10 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.10 3i5s n ILE 53 Cb 0.24 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 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 1.68 2.21 3.23 7.39 0.00 -1.23 -4.86 105.19 113.62 3i5s n GLY 54 Ca -0.25 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 1.84 0.24 1.61 0.52 -1.26 -1.03 118.94 120.86 3i5s s TRP 55 Ca 0.00 -0.36 0.10 0.00 0.02 0.00 0.00 56.10 55.86 3i5s s TRP 55 Cb 0.00 -1.16 -0.05 0.00 -1.15 0.00 0.00 33.47 31.11 3i5s s TRP 55 CO 0.00 0.00 -0.17 -0.51 0.02 0.00 0.00 176.95 176.29 3i5s s LEU 56 N -0.67 2.56 -0.11 2.99 1.43 0.23 -4.86 118.68 120.26 3i5s s LEU 56 Ca 0.08 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 3i5s s LEU 56 Cb -0.08 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.28 3i5s s LEU 56 CO -0.00 -0.06 -0.06 0.21 0.23 0.00 0.00 176.35 176.67 3i5s s ASN 57 N -3.36 2.09 0.00 2.29 3.84 -1.26 -1.20 114.94 117.34 3i5s s ASN 57 Ca 0.26 -0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.05 3i5s s ASN 57 Cb -0.03 -0.75 0.00 0.00 -0.55 0.00 0.00 41.25 39.92 3i5s s ASN 57 CO 0.11 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.88 3i5s n GLY 58 N 4.99 1.91 3.43 1.21 0.00 -1.00 -4.52 105.19 111.21 3i5s n GLY 58 Ca -0.11 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -8.35 3.01 -0.82 1.61 5.04 0.07 -2.38 117.35 115.54 3i5s s TYR 59 Ca 0.00 -0.51 -0.26 0.00 -2.44 0.00 0.00 57.07 53.86 3i5s s TYR 59 Cb 0.00 -2.06 0.04 0.00 0.35 0.00 0.00 41.96 40.28 3i5s s TYR 59 CO 0.00 -0.26 1.33 1.21 -1.34 0.00 0.00 175.55 176.49 3i5s s ASN 60 N 0.96 6.25 0.55 4.32 3.84 0.03 -1.19 114.94 129.71 3i5s s ASN 60 Ca 0.01 -0.72 0.30 0.00 0.21 0.00 0.00 52.86 52.66 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 -1.75 1.90 -0.33 -2.79 0.00 0.00 177.10 174.15 3i5s h GLU 61 N 9.97 0.00 0.16 0.43 4.39 -0.88 0.21 114.58 128.87 3i5s h GLU 61 Ca -0.15 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.21 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 -1.71 1.15 -1.16 0.00 0.00 179.01 178.61 3i5s h THR 62 N 0.00 0.91 0.00 1.13 2.02 -1.89 -3.38 112.91 111.70 3i5s h THR 62 Ca 0.35 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 65.04 3i5s h THR 62 Cb 1.48 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 70.60 3i5s h THR 62 CO -0.00 0.83 -1.73 0.35 0.37 0.00 0.00 175.52 175.34 3i5s n THR 63 N -3.66 0.29 -0.69 3.16 -2.24 -1.07 -4.99 114.28 105.08 3i5s n THR 63 Ca -0.26 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3i5s n THR 63 Cb 1.03 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.27 0.62 3.79 3.38 0.00 0.71 -5.06 105.19 109.91 3i5s n GLY 64 Ca -0.05 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.74 2.54 0.04 1.61 2.02 -1.24 -4.92 118.70 118.00 3i5s s GLU 65 Ca 0.00 -1.43 0.06 0.00 0.02 0.00 0.00 54.97 53.61 3i5s s GLU 65 Cb 0.00 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 3i5s s GLU 65 CO 0.00 0.09 -0.16 0.50 0.02 0.00 0.00 175.26 175.70 3i5s s ARG 66 N -3.93 1.08 0.00 1.61 3.52 -1.26 -0.79 118.95 119.19 3i5s s ARG 66 Ca 0.40 -0.83 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 0.25 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 3i5s n GLY 67 N 1.85 -0.91 3.89 8.12 0.00 -1.00 -4.80 105.19 112.34 3i5s n GLY 67 Ca -0.18 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 6.49 -0.04 1.61 1.01 -0.34 -2.37 116.67 119.03 3i5s s ASP 68 Ca 0.00 0.86 -0.30 0.00 0.71 0.00 0.00 52.55 53.82 3i5s s ASP 68 Cb 0.00 -2.21 0.08 0.00 1.01 0.00 0.00 42.92 41.80 3i5s s ASP 68 CO 0.00 -0.24 0.73 0.72 0.21 0.00 0.00 175.17 176.59 3i5s s PHE 69 N -2.14 -0.58 0.17 4.23 -0.12 -0.34 -1.90 117.98 117.31 3i5s s PHE 69 Ca 0.46 0.90 -0.30 0.00 -0.05 0.00 0.00 56.93 57.95 3i5s s PHE 69 Cb -0.11 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.65 3i5s s PHE 69 CO 0.29 -0.60 1.21 -2.14 -0.05 0.00 0.00 175.22 173.94 3i5s s PRO 70 N -1.60 4.47 0.57 1.99 0.02 -1.26 -0.60 135.00 138.59 3i5s s PRO 70 Ca -0.07 1.89 0.34 0.00 0.02 0.00 0.00 61.00 63.18 3i5s s PRO 70 Cb -0.00 -3.25 1.72 0.00 0.02 0.00 0.00 34.50 32.99 3i5s s PRO 70 CO 0.05 -0.13 2.14 0.78 -0.33 0.00 0.00 177.00 179.50 3i5s h GLY 71 N 5.46 0.00 0.95 0.52 0.00 -1.28 -2.43 103.07 106.29 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 0.76 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.99 3i5s n THR 72 N -3.32 0.00 0.74 4.70 -2.24 -1.26 -2.77 114.28 110.13 3i5s n THR 72 Ca -0.01 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3i5s n THR 72 Cb 0.21 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.94 0.00 -4.66 4.78 4.02 -0.91 -4.97 117.16 114.48 3i5s n TYR 73 Ca 0.22 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.81 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 -1.86 1.30 -0.08 -0.72 -7.23 -1.20 -1.05 120.40 109.57 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 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.64 3i5s s VAL 74 CO 0.38 0.00 0.14 -0.70 -0.31 0.00 0.00 175.10 174.62 3i5s s GLU 75 N -3.81 0.02 0.06 4.82 2.12 -0.38 -4.86 118.70 116.68 3i5s s GLU 75 Ca 0.19 0.52 -0.31 0.00 0.36 0.00 0.00 54.97 55.74 3i5s s GLU 75 Cb 0.05 -0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.06 3i5s s GLU 75 CO 0.10 -0.30 1.49 -0.47 -0.54 0.00 0.00 175.26 175.54 3i5s s TYR 76 N 2.19 2.82 0.00 5.30 5.04 -1.26 -0.79 117.35 130.64 3i5s s TYR 76 Ca 0.02 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 3i5s s TYR 76 Cb -0.12 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.41 3i5s s TYR 76 CO -0.05 -2.96 0.54 0.44 -1.34 0.00 0.00 175.55 172.17 3i5s n ILE 77 N 4.48 0.09 0.00 3.14 -5.35 -0.58 -4.95 119.36 116.19 3i5s n ILE 77 Ca 0.14 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3i5s n ILE 77 Cb 0.42 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 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 -0.05 0.51 3.48 3.28 0.00 -1.23 -4.98 105.19 106.20 3i5s n GLY 78 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.05 1.55 0.00 1.61 1.70 -1.26 -1.46 118.95 120.04 3i5s s ARG 79 Ca 0.00 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 53.81 3i5s s ARG 79 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3i5s s ARG 79 CO 0.00 -0.62 0.00 0.36 -1.08 0.00 0.00 175.30 173.96