#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 1.61 -0.01 0.62 0.00 -1.25 -4.57 107.32 103.71 3i5s s GLY 5 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 3i5s s GLY 5 CO 0.00 0.12 0.25 -0.19 0.00 0.00 0.00 173.10 173.28 3i5s s TYR 6 N -3.24 3.59 -0.05 1.90 2.02 0.49 -1.88 117.35 120.17 3i5s s TYR 6 Ca 0.61 0.57 0.03 0.00 -0.37 0.00 0.00 57.07 57.91 3i5s s TYR 6 Cb -0.14 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3i5s s TYR 6 CO 0.53 0.64 -0.12 -0.65 -1.57 0.00 0.00 175.55 174.38 3i5s s GLN 7 N -1.61 2.58 0.22 -0.62 -0.21 -0.48 0.12 119.66 119.66 3i5s s GLN 7 Ca 0.25 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 55.03 3i5s s GLN 7 Cb -0.13 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 3i5s s GLN 7 CO 0.14 0.64 -0.05 0.71 -2.12 0.00 0.00 175.29 174.60 3i5s s TYR 8 N -0.77 1.62 -0.02 0.91 2.02 0.07 -1.47 117.35 119.72 3i5s s TYR 8 Ca 0.12 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 3i5s s TYR 8 Cb -0.11 -0.89 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3i5s s TYR 8 CO 0.01 0.12 -0.09 0.50 -1.57 0.00 0.00 175.55 174.52 3i5s s ARG 9 N -3.78 0.88 0.23 -0.62 3.52 0.09 -1.45 118.95 117.82 3i5s s ARG 9 Ca 0.26 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 3i5s s ARG 9 Cb 0.04 -0.83 -0.10 0.00 -1.56 0.00 0.00 34.95 32.50 3i5s s ARG 9 CO 0.08 0.14 1.40 0.00 -0.81 0.00 0.00 175.30 176.11 3i5s s ALA 10 N 0.05 3.60 -0.14 6.12 0.00 -0.68 -1.31 121.76 129.40 3i5s s ALA 10 Ca -0.01 1.26 0.11 0.00 0.00 0.00 0.00 51.96 53.32 3i5s s ALA 10 Cb -0.07 -3.54 -0.23 0.00 0.00 0.00 0.00 23.12 19.28 3i5s s ALA 10 CO 0.00 -0.68 0.28 1.28 0.00 0.00 0.00 175.76 176.64 3i5s n LEU 11 N 2.51 0.99 -4.25 0.00 4.77 -0.26 -2.08 117.00 118.68 3i5s n LEU 11 Ca 0.07 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 3i5s n LEU 11 Cb 0.41 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3i5s n LEU 11 CO 0.60 0.56 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.57 3i5s s TYR 12 N -2.54 1.25 0.08 -1.77 2.02 -1.25 -4.79 117.35 110.35 3i5s s TYR 12 Ca -0.13 -0.99 -0.30 0.00 -0.37 0.00 0.00 57.07 55.28 3i5s s TYR 12 Cb 0.07 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.87 3i5s s TYR 12 CO 0.79 -0.17 1.06 -0.51 -1.57 0.00 0.00 175.55 175.15 3i5s s ASP 13 N -3.19 7.29 -0.10 2.29 1.11 -1.26 -4.07 116.67 118.74 3i5s s ASP 13 Ca 0.24 1.88 0.04 0.00 0.18 0.00 0.00 52.55 54.88 3i5s s ASP 13 Cb 0.06 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3i5s s ASP 13 CO 0.04 -0.27 -0.23 -0.47 1.18 0.00 0.00 175.17 175.41 3i5s s TYR 14 N 0.56 2.58 -0.24 4.23 5.04 -0.13 -4.96 117.35 124.43 3i5s s TYR 14 Ca 0.52 -1.05 -0.12 0.00 -2.44 0.00 0.00 57.07 53.98 3i5s s TYR 14 Cb -0.26 -1.72 -0.05 0.00 0.35 0.00 0.00 41.96 40.29 3i5s s TYR 14 CO 0.30 -0.42 0.22 0.21 -1.34 0.00 0.00 175.55 174.52 3i5s s LYS 15 N 0.37 4.07 0.63 4.97 2.20 -1.26 -1.63 119.74 129.09 3i5s s LYS 15 Ca -0.18 -0.16 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 3i5s s LYS 15 Cb -0.18 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 3i5s s LYS 15 CO 0.08 -0.01 1.15 0.36 -0.36 0.00 0.00 175.35 176.58 3i5s n LYS 16 N 4.47 1.04 0.00 4.03 2.85 -1.26 -4.98 118.16 124.31 3i5s n LYS 16 Ca -0.13 0.41 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 3i5s n LYS 16 Cb 0.52 -2.38 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 -1.49 0.00 -1.02 -1.58 1.02 -1.26 -5.05 120.64 111.26 3i5s n GLU 17 Ca 0.15 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 3i5s n GLU 17 Cb 0.48 -0.08 0.14 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.59 1.29 0.54 3.49 0.52 -1.26 -4.90 118.95 118.04 3i5s s ARG 18 Ca 0.00 1.13 0.27 0.00 -0.52 0.00 0.00 55.73 56.61 3i5s s ARG 18 Cb 0.00 -1.79 1.53 0.00 0.52 0.00 0.00 34.95 35.22 3i5s s ARG 18 CO 0.00 -2.31 2.12 1.49 0.02 0.00 0.00 175.30 176.62 3i5s h GLU 19 N -1.61 0.00 -0.00 3.54 4.81 -2.03 -2.63 114.58 116.65 3i5s h GLU 19 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 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 0.50 0.09 -0.35 0.39 -0.73 0.00 0.00 179.01 178.90 3i5s n GLU 20 N -3.74 0.52 -1.36 1.92 4.71 -1.26 -4.91 120.64 116.52 3i5s n GLU 20 Ca -0.02 -0.30 -0.30 0.00 -0.01 0.00 0.00 57.16 56.53 3i5s n GLU 20 Cb 0.19 -1.49 0.20 0.00 -1.01 0.00 0.00 31.44 29.33 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 2.08 0.10 1.62 1.01 -0.99 -1.10 116.67 116.69 3i5s s ASP 21 Ca 0.19 0.68 0.01 0.00 0.71 0.00 0.00 52.55 54.14 3i5s s ASP 21 Cb 0.19 -0.99 -0.04 0.00 1.01 0.00 0.00 42.92 43.08 3i5s s ASP 21 CO 0.59 -3.41 -0.05 0.27 0.21 0.00 0.00 175.17 172.78 3i5s s ILE 22 N -3.24 0.58 -0.04 0.77 -4.36 -0.76 -4.51 121.20 109.64 3i5s s ILE 22 Ca 0.70 -1.92 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 3i5s s ILE 22 Cb -0.10 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 3i5s s ILE 22 CO 0.55 -0.83 0.72 -1.81 0.24 0.00 0.00 174.94 173.81 3i5s s ASP 23 N -3.04 7.05 -0.08 4.36 -0.00 -1.26 -4.22 116.67 119.48 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 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 3i5s s ASP 23 CO -0.04 -0.09 0.05 -0.76 -0.00 0.00 0.00 175.17 174.33 3i5s s LEU 24 N 0.61 3.86 0.07 1.23 1.43 -0.65 -4.95 118.68 120.28 3i5s s LEU 24 Ca 0.38 0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3i5s s LEU 24 Cb -0.18 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3i5s s LEU 24 CO 0.19 0.37 -0.24 -1.00 0.23 0.00 0.00 176.35 175.90 3i5s s HIS 25 N -0.98 2.38 0.01 0.29 3.76 -1.26 -0.96 115.29 118.54 3i5s s HIS 25 Ca 0.15 -0.37 -0.38 0.00 -0.15 0.00 0.00 55.06 54.32 3i5s s HIS 25 Cb -0.12 -1.38 -0.17 0.00 1.11 0.00 0.00 32.58 32.03 3i5s s HIS 25 CO 0.05 0.21 1.34 -0.11 -0.85 0.00 0.00 174.74 175.38 3i5s n LEU 26 N 1.50 1.40 0.00 0.89 7.94 -1.26 -1.24 117.00 126.23 3i5s n LEU 26 Ca -0.17 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3i5s n LEU 26 Cb 0.52 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.35 3i5s n LEU 26 CO 0.24 -1.14 0.00 0.61 -1.11 0.00 0.00 177.39 175.99 3i5s n GLY 27 N 2.55 3.23 3.60 -3.96 0.00 -0.88 -4.98 105.19 104.75 3i5s n GLY 27 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 0.06 1.52 -4.65 1.61 9.92 -0.38 -4.59 116.55 120.06 3i5s n ASP 28 Ca 0.00 1.17 -0.35 0.00 -0.53 0.00 0.00 54.79 55.09 3i5s n ASP 28 Cb 0.00 -1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 39.08 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 -0.82 4.75 0.04 0.53 -1.09 -1.26 -1.68 121.20 121.67 3i5s s ILE 29 Ca 0.62 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.04 3i5s s ILE 29 Cb -0.72 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 3i5s s ILE 29 CO 0.58 0.49 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.86 3i5s s LEU 30 N 0.16 2.17 -0.07 2.97 1.02 -0.53 -0.17 118.68 124.24 3i5s s LEU 30 Ca 0.04 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.76 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 -0.17 -0.89 0.02 0.00 0.00 176.35 175.37 3i5s s THR 31 N -0.85 2.81 -0.10 5.49 2.01 -0.38 -0.75 115.64 123.87 3i5s s THR 31 Ca 0.02 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.26 3i5s s THR 31 Cb -0.08 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.33 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 -0.37 2.02 0.20 3.82 1.01 0.12 -0.83 120.40 126.37 3i5s s VAL 32 Ca 0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 3i5s s VAL 32 Cb -0.12 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 3i5s s VAL 32 CO 0.02 0.55 1.21 0.21 0.00 0.00 0.00 175.10 177.09 3i5s s ASN 33 N 0.40 7.07 0.37 3.32 3.04 -1.26 -0.38 114.94 127.50 3i5s s ASN 33 Ca -0.18 2.27 0.11 0.00 0.04 0.00 0.00 52.86 55.10 3i5s s ASN 33 Cb -0.18 -2.61 0.89 0.00 -1.54 0.00 0.00 41.25 37.81 3i5s s ASN 33 CO 0.08 -0.38 1.85 0.50 -3.04 0.00 0.00 177.10 176.10 3i5s h LYS 34 N 5.11 0.59 -0.24 0.43 3.64 -1.93 -0.98 116.57 123.19 3i5s h LYS 34 Ca -0.45 -0.04 -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 0.74 0.39 0.07 0.78 -2.27 0.00 0.00 179.45 179.16 3i5s h GLY 35 N 0.61 0.37 0.83 5.01 0.00 -1.96 -1.83 103.07 106.11 3i5s h GLY 35 Ca 0.48 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.67 3i5s h GLY 35 CO -0.23 0.16 0.31 1.76 0.00 0.00 0.00 176.54 178.54 3i5s h SER 36 N 0.34 0.48 -0.15 0.19 0.02 -1.56 -1.07 113.55 111.81 3i5s h SER 36 Ca 0.09 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.85 3i5s h SER 36 Cb 0.13 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.59 3i5s h SER 36 CO -0.00 0.34 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.27 3i5s h LEU 37 N 0.60 0.85 0.11 5.07 3.38 -1.50 -3.15 115.31 120.67 3i5s h LEU 37 Ca 0.22 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3i5s h LEU 37 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3i5s h LEU 37 CO -0.11 1.34 -0.20 0.58 0.09 0.00 0.00 178.44 180.13 3i5s h VAL 38 N 0.42 0.54 0.00 1.22 2.07 -1.21 -1.46 116.25 117.82 3i5s h VAL 38 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3i5s h VAL 38 Cb 1.31 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3i5s h VAL 38 CO 0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3i5s n ALA 39 N -2.51 1.86 0.25 1.67 0.00 -0.42 -0.32 120.51 121.04 3i5s n ALA 39 Ca -0.07 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3i5s n ALA 39 Cb 0.24 -1.02 0.01 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 -0.55 1.25 -0.47 0.00 4.77 -0.59 -5.00 117.00 116.42 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i5s n LEU 40 CO 0.01 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3i5s n GLY 41 N 0.49 0.94 2.73 -0.72 0.00 0.57 -5.01 105.19 104.19 3i5s n GLY 41 Ca 0.03 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.47 3.28 -2.36 1.61 3.72 -0.98 -4.98 117.46 115.28 3i5s n PHE 42 Ca 0.00 -3.45 -0.26 0.00 -0.05 0.00 0.00 57.45 53.69 3i5s n PHE 42 Cb 0.48 -0.82 0.12 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 -2.38 4.07 0.00 4.37 1.04 -1.26 -4.47 113.70 115.07 3i5s s SER 43 Ca 0.40 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.75 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 -2.06 0.00 0.47 0.98 0.00 0.00 173.24 172.59 3i5s n ASP 44 N -3.10 -1.36 -1.48 7.02 10.43 -1.26 -4.45 116.55 122.35 3i5s n ASP 44 Ca 0.14 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.39 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 -2.45 0.02 0.27 0.44 0.00 -1.26 -4.92 105.19 97.29 3i5s n GLY 45 Ca 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.44 0.00 -0.96 1.61 7.50 -1.81 -2.82 115.11 118.19 3i5s h GLN 46 Ca -0.26 0.00 0.28 0.00 0.50 0.00 0.00 58.65 59.17 3i5s h GLN 46 Cb 1.19 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.68 3i5s h GLN 46 CO 0.29 0.08 0.81 1.05 -1.50 0.00 0.00 178.83 179.56 3i5s h GLU 47 N 0.00 0.00 0.00 1.46 9.09 -1.91 0.44 114.58 123.66 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 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 3i5s h GLU 47 CO 0.01 0.00 -0.57 0.00 0.05 0.00 0.00 179.01 178.50 3i5s n ALA 48 N -2.56 3.17 -3.59 1.06 0.00 -1.06 -4.26 120.51 113.26 3i5s n ALA 48 Ca 0.20 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 3i5s n ALA 48 Cb 1.13 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 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 1.60 0.26 0.00 1.74 0.15 -4.67 116.66 113.91 3i5s n ARG 49 Ca 0.04 -4.15 0.08 0.00 -0.77 0.00 0.00 57.85 53.05 3i5s n ARG 49 Cb 0.39 -2.04 0.65 0.00 -1.02 0.00 0.00 32.46 30.44 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 4.92 0.00 0.00 5.56 0.13 -1.73 -0.92 132.00 139.95 3i5s h PRO 50 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3i5s h PRO 50 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3i5s h PRO 50 CO 0.66 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.48 3i5s h GLU 51 N 0.00 0.00 0.00 0.86 9.09 -1.85 0.25 114.58 122.93 3i5s h GLU 51 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i5s h GLU 51 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 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 -3.24 0.22 -0.08 1.06 -0.58 -0.35 -3.81 120.64 113.86 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 -1.37 1.03 0.00 -3.67 5.41 0.88 -5.04 119.36 116.60 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 0.25 -0.36 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 1.67 2.22 3.23 7.39 0.00 -1.23 -4.86 105.19 113.62 3i5s n GLY 54 Ca -0.25 -0.27 -0.27 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 1.86 0.24 1.61 0.52 -1.26 -0.97 118.94 120.94 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 -1.18 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 3i5s s TRP 55 CO 0.00 -0.01 -0.17 -0.51 0.02 0.00 0.00 176.95 176.28 3i5s s LEU 56 N -0.60 2.56 -0.10 2.99 1.43 0.14 -4.86 118.68 120.24 3i5s s LEU 56 Ca 0.08 -1.02 -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 -0.05 0.21 0.23 0.00 0.00 176.35 176.67 3i5s s ASN 57 N -3.37 2.01 0.00 2.29 3.84 -1.26 -1.31 114.94 117.15 3i5s s ASN 57 Ca 0.26 -0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.08 3i5s s ASN 57 Cb -0.03 -0.73 0.00 0.00 -0.55 0.00 0.00 41.25 39.94 3i5s s ASN 57 CO 0.11 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.89 3i5s n GLY 58 N 4.99 1.92 3.40 1.21 0.00 -1.02 -4.51 105.19 111.18 3i5s n GLY 58 Ca -0.11 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -7.69 2.97 -0.82 1.61 5.04 -0.01 -2.32 117.35 116.14 3i5s s TYR 59 Ca 0.00 -0.62 -0.26 0.00 -2.44 0.00 0.00 57.07 53.75 3i5s s TYR 59 Cb 0.00 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.31 3i5s s TYR 59 CO 0.00 -0.31 1.34 1.21 -1.34 0.00 0.00 175.55 176.45 3i5s s ASN 60 N 0.95 6.24 0.55 4.32 3.84 0.08 -1.25 114.94 129.67 3i5s s ASN 60 Ca 0.00 -0.72 0.30 0.00 0.21 0.00 0.00 52.86 52.64 3i5s s ASN 60 Cb -0.15 -2.56 1.46 0.00 -0.55 0.00 0.00 41.25 39.45 3i5s s ASN 60 CO 0.01 -1.76 1.91 -0.33 -2.79 0.00 0.00 177.10 174.15 3i5s h GLU 61 N 10.01 0.00 0.17 0.43 4.39 -0.86 0.20 114.58 128.92 3i5s h GLU 61 Ca -0.14 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.23 3i5s h GLU 61 Cb 1.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3i5s h GLU 61 CO 1.32 0.00 -1.63 1.15 -1.16 0.00 0.00 179.01 178.69 3i5s h THR 62 N 0.00 0.98 0.00 1.13 2.02 -1.89 -3.38 112.91 111.77 3i5s h THR 62 Ca 0.34 -2.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 3i5s h THR 62 Cb 1.43 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 70.60 3i5s h THR 62 CO -0.00 0.81 -1.75 0.35 0.37 0.00 0.00 175.52 175.29 3i5s n THR 63 N -3.71 0.20 -0.70 3.16 -2.24 -1.06 -4.99 114.28 104.94 3i5s n THR 63 Ca -0.25 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3i5s n THR 63 Cb 1.02 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.25 0.63 3.80 3.38 0.00 0.67 -5.06 105.19 109.86 3i5s n GLY 64 Ca -0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.64 2.56 0.05 1.61 2.02 -1.24 -4.92 118.70 118.14 3i5s s GLU 65 Ca 0.00 -1.41 0.06 0.00 0.02 0.00 0.00 54.97 53.64 3i5s s GLU 65 Cb 0.00 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3i5s s GLU 65 CO 0.00 0.10 -0.17 0.50 0.02 0.00 0.00 175.26 175.72 3i5s s ARG 66 N -3.92 1.09 0.00 1.61 3.52 -1.26 -0.74 118.95 119.24 3i5s s ARG 66 Ca 0.39 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 3i5s s ARG 66 Cb -0.04 -1.16 0.00 0.00 -1.56 0.00 0.00 34.95 32.19 3i5s s ARG 66 CO 0.25 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 3i5s n GLY 67 N 1.75 -0.96 3.89 8.12 0.00 -0.98 -4.80 105.19 112.21 3i5s n GLY 67 Ca -0.18 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.26 -2.43 116.67 119.06 3i5s s ASP 68 Ca 0.00 0.89 -0.30 0.00 0.71 0.00 0.00 52.55 53.85 3i5s s ASP 68 Cb 0.00 -2.22 0.08 0.00 1.01 0.00 0.00 42.92 41.79 3i5s s ASP 68 CO 0.00 -0.26 0.73 0.72 0.21 0.00 0.00 175.17 176.57 3i5s s PHE 69 N -2.16 -0.58 0.20 4.23 -0.12 -0.43 -1.82 117.98 117.29 3i5s s PHE 69 Ca 0.47 0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 57.97 3i5s s PHE 69 Cb -0.11 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.64 3i5s s PHE 69 CO 0.29 -0.59 1.22 -2.14 -0.05 0.00 0.00 175.22 173.96 3i5s s PRO 70 N -1.55 4.47 0.56 1.99 0.02 -1.26 -0.68 135.00 138.56 3i5s s PRO 70 Ca -0.07 1.92 0.34 0.00 0.02 0.00 0.00 61.00 63.21 3i5s s PRO 70 Cb -0.00 -3.22 1.60 0.00 0.02 0.00 0.00 34.50 32.90 3i5s s PRO 70 CO 0.05 -0.11 2.08 0.78 -0.33 0.00 0.00 177.00 179.47 3i5s h GLY 71 N 5.16 0.00 0.88 0.52 0.00 -1.25 -2.54 103.07 105.83 3i5s h GLY 71 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i5s h GLY 71 CO 0.74 0.00 -0.00 -1.30 0.00 0.00 0.00 176.54 175.98 3i5s n THR 72 N -3.24 0.00 0.72 4.70 -2.24 -1.26 -2.80 114.28 110.16 3i5s n THR 72 Ca -0.01 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 3i5s n THR 72 Cb 0.25 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.90 0.00 -4.67 4.78 4.02 -0.96 -4.97 117.16 114.47 3i5s n TYR 73 Ca 0.23 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.82 3i5s n TYR 73 Cb 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.81 1.24 -0.09 -0.72 -7.23 -1.20 -1.10 120.40 109.49 3i5s s VAL 74 Ca 0.15 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3i5s s VAL 74 Cb 0.13 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.70 3i5s s VAL 74 CO 0.37 0.00 0.17 -0.70 -0.31 0.00 0.00 175.10 174.63 3i5s s GLU 75 N -3.81 0.06 0.06 4.82 2.12 -0.43 -4.86 118.70 116.66 3i5s s GLU 75 Ca 0.17 0.55 -0.31 0.00 0.36 0.00 0.00 54.97 55.75 3i5s s GLU 75 Cb 0.04 -0.23 -0.07 0.00 0.26 0.00 0.00 34.13 34.13 3i5s s GLU 75 CO 0.09 -0.28 1.46 -0.47 -0.54 0.00 0.00 175.26 175.52 3i5s s TYR 76 N 2.10 2.89 0.00 5.30 5.04 -1.26 -0.74 117.35 130.68 3i5s s TYR 76 Ca 0.01 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 3i5s s TYR 76 Cb -0.12 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.45 3i5s s TYR 76 CO -0.06 -2.77 0.53 0.44 -1.34 0.00 0.00 175.55 172.34 3i5s n ILE 77 N 4.43 0.10 0.00 3.14 -5.35 -0.54 -4.95 119.36 116.19 3i5s n ILE 77 Ca 0.13 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 3i5s n ILE 77 Cb 0.42 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 0.52 3.47 3.28 0.00 -1.23 -4.98 105.19 106.20 3i5s n GLY 78 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.03 1.51 0.00 1.61 1.70 -1.26 -1.38 118.95 120.10 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