#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5b n GLY 2 N 0.00 1.91 2.32 -3.96 0.00 -1.26 -4.94 105.19 99.25 1l5b n GLY 2 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1l5b n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l5b n LYS 3 N 3.44 -1.96 -0.22 1.61 5.02 -1.26 -4.85 118.16 119.94 1l5b n LYS 3 Ca 0.00 0.65 -0.03 0.00 -2.02 0.00 0.00 58.31 56.91 1l5b n LYS 3 Cb 0.00 -5.15 0.08 0.00 -0.02 0.00 0.00 35.03 29.94 1l5b n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1l5b h PHE 4 N 0.00 0.68 0.00 2.13 -0.00 -2.00 -2.49 116.94 115.25 1l5b h PHE 4 Ca -0.29 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.70 1l5b h PHE 4 Cb 1.12 -0.21 0.00 0.00 -0.00 0.00 0.00 35.95 36.86 1l5b h PHE 4 CO 0.61 0.35 0.06 -1.13 -0.00 0.00 0.00 178.31 178.20 1l5b n SER 5 N -4.77 0.17 0.10 -0.68 3.41 -1.26 -0.75 113.62 109.84 1l5b n SER 5 Ca 0.07 0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 59.17 1l5b n SER 5 Cb 0.13 -0.55 0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1l5b n SER 5 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1l5b h GLN 6 N 0.00 0.11 0.00 4.33 4.20 -1.84 -3.29 115.11 118.62 1l5b h GLN 6 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1l5b h GLN 6 Cb 0.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1l5b h GLN 6 CO 0.00 0.80 -0.04 0.25 -0.67 0.00 0.00 178.83 179.16 1l5b n THR 7 N -3.71 1.57 -4.65 -0.54 -2.24 0.07 -5.06 114.28 99.71 1l5b n THR 7 Ca -0.02 -1.86 -0.30 0.00 -2.27 0.00 0.00 64.05 59.60 1l5b n THR 7 Cb 0.72 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1l5b n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l5b s TYR 9 N -3.04 -0.21 -1.20 0.00 -0.85 -0.24 -4.86 117.35 106.95 1l5b s TYR 9 Ca 0.12 0.11 -0.03 0.00 -0.52 0.00 0.00 57.07 56.75 1l5b s TYR 9 Cb 0.01 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 1l5b s TYR 9 CO 0.08 -0.38 0.86 -1.71 -1.52 0.00 0.00 175.55 172.88 1l5b n ASN 10 N -0.20 -3.04 -4.87 -0.18 5.15 -1.26 -2.27 115.26 108.59 1l5b n ASN 10 Ca -0.04 -0.75 -0.30 0.00 -0.60 0.00 0.00 54.58 52.89 1l5b n ASN 10 Cb 0.60 -4.61 -0.02 0.00 -0.53 0.00 0.00 39.78 35.22 1l5b n ASN 10 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1l5b s SER 11 N -4.07 6.43 -0.05 1.20 0.01 -1.26 -4.47 113.70 111.48 1l5b s SER 11 Ca 0.15 1.24 -0.27 0.00 1.31 0.00 0.00 55.95 58.37 1l5b s SER 11 Cb -0.03 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.88 1l5b s SER 11 CO 0.77 -0.58 0.61 0.00 0.41 0.00 0.00 173.24 174.45 1l5b s ALA 12 N -2.67 -1.57 0.06 1.44 0.00 -0.03 -4.98 121.76 114.00 1l5b s ALA 12 Ca 0.53 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1l5b s ALA 12 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1l5b s ALA 12 CO 0.39 -0.35 -0.04 0.42 0.00 0.00 0.00 175.76 176.18 1l5b s ILE 13 N -1.14 3.78 -0.28 0.00 1.01 -1.26 -1.10 121.20 122.22 1l5b s ILE 13 Ca -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1l5b s ILE 13 Cb -0.01 -2.74 0.17 0.00 0.01 0.00 0.00 42.46 39.89 1l5b s ILE 13 CO 0.08 0.23 0.45 -1.58 0.00 0.00 0.00 174.94 174.12 1l5b s GLN 14 N -1.94 0.44 7.47 2.79 2.00 -0.48 -4.97 119.66 124.97 1l5b s GLN 14 Ca 0.21 0.33 0.00 0.00 -2.00 0.00 0.00 55.36 53.91 1l5b s GLN 14 Cb -0.11 -0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.52 1l5b s GLN 14 CO 0.13 -0.94 0.00 0.41 -0.50 0.00 0.00 175.29 174.39 1l5b n GLY 15 N 5.37 2.36 1.16 2.59 0.00 -1.26 -2.03 105.19 113.39 1l5b n GLY 15 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1l5b n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l5b n SER 16 N 7.92 4.11 -4.75 1.61 3.41 -1.26 -4.95 113.62 119.71 1l5b n SER 16 Ca 0.00 -2.54 -0.36 0.00 -0.26 0.00 0.00 58.87 55.71 1l5b n SER 16 Cb 0.00 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 1l5b n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1l5b s VAL 17 N -1.99 5.33 0.02 -3.33 1.01 -0.86 -0.37 120.40 120.20 1l5b s VAL 17 Ca 0.42 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.90 1l5b s VAL 17 Cb 0.29 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1l5b s VAL 17 CO 0.17 0.43 -0.10 -0.22 0.00 0.00 0.00 175.10 175.39 1l5b s LEU 18 N 0.20 3.02 -0.00 3.92 2.96 0.42 -1.39 118.68 127.80 1l5b s LEU 18 Ca 0.15 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1l5b s LEU 18 Cb -0.13 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1l5b s LEU 18 CO 0.03 0.27 0.04 -0.89 -1.32 0.00 0.00 176.35 174.48 1l5b s THR 19 N -0.99 0.05 0.25 3.68 2.01 -0.26 -1.06 115.64 119.33 1l5b s THR 19 Ca 0.17 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 1l5b s THR 19 Cb -0.11 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1l5b s THR 19 CO 0.07 -0.23 0.66 -0.55 -0.69 0.00 0.00 174.62 173.88 1l5b s SER 20 N -0.69 -0.30 -0.28 3.53 0.15 -0.94 -0.85 113.70 114.33 1l5b s SER 20 Ca -0.08 -0.52 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 1l5b s SER 20 Cb -0.05 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 64.98 1l5b s SER 20 CO -0.00 -1.23 -0.03 -0.89 1.20 0.00 0.00 173.24 172.28 1l5b s THR 21 N -3.89 2.89 -0.02 6.45 2.01 -0.96 -1.35 115.64 120.77 1l5b s THR 21 Ca 0.10 -1.24 0.07 0.00 0.31 0.00 0.00 61.69 60.93 1l5b s THR 21 Cb -0.04 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1l5b s THR 21 CO 0.03 0.03 -0.24 0.00 -0.69 0.00 0.00 174.62 173.75 1l5b s GLU 23 N -0.50 4.20 0.18 0.00 2.02 -0.92 -0.14 118.70 123.53 1l5b s GLU 23 Ca 0.08 2.44 -0.03 0.00 0.02 0.00 0.00 54.97 57.47 1l5b s GLU 23 Cb -0.10 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.12 1l5b s GLU 23 CO -0.00 -0.50 0.20 0.54 0.02 0.00 0.00 175.26 175.52 1l5b n ARG 24 N 1.98 -0.65 0.00 1.61 5.12 0.34 -4.91 116.66 120.16 1l5b n ARG 24 Ca 0.06 -0.32 0.12 0.00 -1.93 0.00 0.00 57.85 55.79 1l5b n ARG 24 Cb 0.39 -0.24 0.32 0.00 -1.16 0.00 0.00 32.46 31.77 1l5b n ARG 24 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1l5b n THR 25 N -2.53 0.00 0.00 0.55 -2.24 -1.26 -4.47 114.28 104.34 1l5b n THR 25 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1l5b n THR 25 Cb 0.10 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1l5b n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1l5b n ASN 26 N -1.13 0.00 0.00 3.42 0.23 -1.26 -5.05 115.26 111.47 1l5b n ASN 26 Ca 0.09 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1l5b n ASN 26 Cb 0.34 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1l5b n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1l5b n GLY 27 N 2.03 0.00 0.00 4.83 0.00 -1.26 -5.16 105.19 105.63 1l5b n GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1l5b n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l5b n GLY 28 N 0.00 0.41 3.11 -0.02 0.00 -1.26 -4.82 105.19 102.62 1l5b n GLY 28 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1l5b n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l5b s TYR 29 N 0.86 0.44 0.02 1.61 1.51 -1.26 -0.50 117.35 120.03 1l5b s TYR 29 Ca 0.00 -0.97 -0.08 0.00 -1.01 0.00 0.00 57.07 55.02 1l5b s TYR 29 Cb 0.00 -0.32 0.00 0.00 -0.11 0.00 0.00 41.96 41.53 1l5b s TYR 29 CO 0.00 -0.41 0.15 1.21 -1.11 0.00 0.00 175.55 175.39 1l5b s ASN 30 N -2.90 0.05 -0.45 2.29 2.47 0.80 -4.84 114.94 112.36 1l5b s ASN 30 Ca 0.07 -0.31 -0.05 0.00 0.42 0.00 0.00 52.86 52.98 1l5b s ASN 30 Cb 0.07 0.24 0.12 0.00 -1.45 0.00 0.00 41.25 40.23 1l5b s ASN 30 CO -0.10 -0.45 0.27 -0.89 -3.72 0.00 0.00 177.10 172.21 1l5b s THR 31 N -1.97 3.65 0.00 -5.21 2.01 -1.26 0.16 115.64 113.03 1l5b s THR 31 Ca -0.10 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.88 1l5b s THR 31 Cb -0.04 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1l5b s THR 31 CO -0.01 -0.74 0.00 -1.54 -0.69 0.00 0.00 174.62 171.64 1l5b n SER 32 N 4.64 1.02 -3.59 3.53 3.41 -0.46 -4.92 113.62 117.25 1l5b n SER 32 Ca -0.04 -0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 57.92 1l5b n SER 32 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1l5b n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1l5b s SER 33 N -0.55 -0.39 -0.04 4.04 1.04 -1.26 -2.21 113.70 114.33 1l5b s SER 33 Ca 0.00 0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.94 1l5b s SER 33 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1l5b s SER 33 CO 0.00 -0.32 -0.06 -0.51 0.98 0.00 0.00 173.24 173.33 1l5b s ILE 34 N -0.88 0.63 -0.19 -1.02 2.07 -0.22 -4.99 121.20 116.60 1l5b s ILE 34 Ca -0.01 -0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 58.72 1l5b s ILE 34 Cb -0.01 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.96 1l5b s ILE 34 CO 0.00 0.23 1.19 -0.62 -1.91 0.00 0.00 174.94 173.83 1l5b s ASP 35 N 0.60 7.00 0.00 4.50 2.15 -1.26 -0.44 116.67 129.22 1l5b s ASP 35 Ca -0.09 1.59 0.27 0.00 0.43 0.00 0.00 52.55 54.76 1l5b s ASP 35 Cb -0.12 -2.54 0.95 0.00 -0.30 0.00 0.00 42.92 40.91 1l5b s ASP 35 CO 0.01 -0.73 1.69 0.18 -0.17 0.00 0.00 175.17 176.14 1l5b n LEU 36 N 6.50 0.88 -0.35 -1.34 4.77 0.50 -4.07 117.00 123.90 1l5b n LEU 36 Ca 0.13 -0.20 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 1l5b n LEU 36 Cb 0.45 -0.13 0.23 0.00 -2.33 0.00 0.00 43.42 41.64 1l5b n LEU 36 CO 0.55 0.16 1.21 -0.55 -1.33 0.00 0.00 177.39 177.43 1l5b h ASN 37 N 1.11 0.87 -0.19 -1.43 7.08 -1.89 -0.74 115.58 120.39 1l5b h ASN 37 Ca 0.00 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 1l5b h ASN 37 Cb 0.45 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 1l5b h ASN 37 CO 0.00 0.46 0.00 -1.54 -2.08 0.00 0.00 177.43 174.27 1l5b n SER 38 N -4.65 2.26 -0.02 6.14 3.41 -1.26 -4.47 113.62 115.03 1l5b n SER 38 Ca 0.18 -1.79 0.02 0.00 -0.26 0.00 0.00 58.87 57.02 1l5b n SER 38 Cb 0.35 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1l5b n SER 38 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1l5b n VAL 39 N 0.72 0.18 -4.43 -3.33 0.31 -0.31 -4.87 118.33 106.60 1l5b n VAL 39 Ca 0.17 -0.27 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 1l5b n VAL 39 Cb 0.43 -0.02 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 1l5b n VAL 39 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1l5b s ILE 40 N -2.55 1.82 0.11 2.52 -4.36 -1.03 -0.74 121.20 116.98 1l5b s ILE 40 Ca -0.04 -2.18 -0.17 0.00 -0.26 0.00 0.00 60.65 58.00 1l5b s ILE 40 Cb 0.05 -2.37 0.04 0.00 1.25 0.00 0.00 42.46 41.43 1l5b s ILE 40 CO 0.40 -0.36 0.41 -1.83 0.24 0.00 0.00 174.94 173.79 1l5b s GLU 41 N -3.67 1.04 -0.30 0.37 -1.05 0.60 -4.80 118.70 110.88 1l5b s GLU 41 Ca 0.28 -0.62 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 1l5b s GLU 41 Cb 0.02 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.19 1l5b s GLU 41 CO 0.12 -0.40 0.06 1.21 0.95 0.00 0.00 175.26 177.20 1l5b s ASN 42 N -2.62 5.07 -0.41 0.83 2.47 -1.26 -0.02 114.94 118.99 1l5b s ASN 42 Ca 0.01 -0.90 -0.02 0.00 0.42 0.00 0.00 52.86 52.37 1l5b s ASN 42 Cb 0.01 -1.84 0.11 0.00 -1.45 0.00 0.00 41.25 38.08 1l5b s ASN 42 CO -0.10 -0.23 0.19 -0.69 -3.72 0.00 0.00 177.10 172.55 1l5b s VAL 43 N 1.43 3.17 -1.51 -5.21 1.01 -0.09 -4.80 120.40 114.40 1l5b s VAL 43 Ca 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 61.98 59.81 1l5b s VAL 43 Cb -0.18 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1l5b s VAL 43 CO 0.01 -0.69 0.34 -0.67 0.00 0.00 0.00 175.10 174.10 1l5b n ASP 44 N 4.50 -5.43 0.00 3.32 2.03 -1.26 -1.51 116.55 118.20 1l5b n ASP 44 Ca -0.01 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1l5b n ASP 44 Cb 0.41 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 1l5b n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l5b n GLY 45 N -1.24 1.27 3.67 0.27 0.00 -1.26 -5.06 105.19 102.83 1l5b n GLY 45 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1l5b n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l5b s SER 46 N -1.65 4.90 0.11 1.61 0.01 -0.57 -5.10 113.70 113.01 1l5b s SER 46 Ca 0.00 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 1l5b s SER 46 Cb 0.00 -1.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.04 1l5b s SER 46 CO 0.00 0.17 0.55 -0.76 0.41 0.00 0.00 173.24 173.61 1l5b s LEU 47 N -2.31 4.42 0.11 2.44 1.43 -1.26 -0.91 118.68 122.59 1l5b s LEU 47 Ca 0.25 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.44 1l5b s LEU 47 Cb -0.12 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1l5b s LEU 47 CO 0.17 0.18 0.13 -1.59 0.23 0.00 0.00 176.35 175.47 1l5b s LYS 48 N -1.58 0.88 0.39 1.70 -2.85 0.97 -4.94 119.74 114.31 1l5b s LYS 48 Ca 0.33 -1.19 -0.26 0.00 -1.00 0.00 0.00 55.97 53.86 1l5b s LYS 48 Cb -0.17 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 35.81 1l5b s LYS 48 CO 0.19 -0.26 1.16 -1.58 0.10 0.00 0.00 175.35 174.95 1l5b s TRP 49 N -3.95 3.13 -0.04 1.78 0.52 -1.26 -0.29 118.94 118.82 1l5b s TRP 49 Ca 0.13 1.57 -0.14 0.00 0.02 0.00 0.00 56.10 57.68 1l5b s TRP 49 Cb 0.06 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 28.95 1l5b s TRP 49 CO -0.05 -1.22 0.37 -0.65 0.02 0.00 0.00 176.95 175.42 1l5b s GLN 50 N -2.22 3.91 0.86 4.98 -0.21 0.09 -4.83 119.66 122.24 1l5b s GLN 50 Ca 0.56 0.31 -0.12 0.00 0.02 0.00 0.00 55.36 56.13 1l5b s GLN 50 Cb -0.30 -3.25 0.11 0.00 1.00 0.00 0.00 33.01 30.57 1l5b s GLN 50 CO 0.38 0.63 1.11 -2.14 -2.12 0.00 0.00 175.29 173.15 1l5b s PRO 51 N -0.82 1.54 0.17 2.91 0.02 -1.26 -4.96 135.00 132.60 1l5b s PRO 51 Ca 0.22 0.50 -0.21 0.00 0.02 0.00 0.00 61.00 61.53 1l5b s PRO 51 Cb -0.16 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1l5b s PRO 51 CO 0.11 -1.97 0.56 -1.54 -0.33 0.00 0.00 177.00 173.83 1l5b s SER 52 N -3.89 -0.43 0.00 2.53 1.04 -1.26 -5.08 113.70 106.60 1l5b s SER 52 Ca 0.62 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1l5b s SER 52 Cb -0.15 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1l5b s SER 52 CO 0.54 -1.00 0.08 -0.46 0.98 0.00 0.00 173.24 173.38 1l5b n ASN 53 N -0.35 0.00 0.03 7.02 6.94 -1.26 -4.89 115.26 122.74 1l5b n ASN 53 Ca -0.14 -1.00 -0.12 0.00 -0.02 0.00 0.00 54.58 53.30 1l5b n ASN 53 Cb 0.64 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.99 1l5b n ASN 53 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1l5b h PHE 54 N 0.00 0.03 -0.54 -2.53 3.57 -1.97 -2.36 116.94 113.14 1l5b h PHE 54 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1l5b h PHE 54 Cb 0.59 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1l5b h PHE 54 CO 0.00 0.04 -0.11 -0.84 -2.23 0.00 0.00 178.31 175.17 1l5b h ILE 55 N 0.02 1.27 -0.00 1.41 -0.00 -1.91 -2.47 117.51 115.82 1l5b h ILE 55 Ca 0.01 -1.26 0.00 0.00 -0.00 0.00 0.00 64.86 63.61 1l5b h ILE 55 Cb 0.01 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 1l5b h ILE 55 CO -0.00 0.44 -0.07 -0.62 -0.00 0.00 0.00 178.15 177.90 1l5b n GLU 56 N -4.14 0.58 0.00 0.16 1.02 -1.20 -4.05 120.64 112.99 1l5b n GLU 56 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1l5b n GLU 56 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1l5b n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1l5b n THR 57 N -1.10 0.00 -4.23 2.62 -2.24 -0.89 -5.09 114.28 103.34 1l5b n THR 57 Ca 0.14 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 1l5b n THR 57 Cb 0.26 1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.98 1l5b n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l5b s ARG 59 N -3.80 1.55 -0.91 0.00 1.70 -0.10 -4.82 118.95 112.57 1l5b s ARG 59 Ca 0.37 -1.46 -0.08 0.00 -0.47 0.00 0.00 55.73 54.09 1l5b s ARG 59 Cb 0.00 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1l5b s ARG 59 CO 0.21 -0.62 0.64 0.09 -1.08 0.00 0.00 175.30 174.55 1l5b n ASN 60 N -0.59 -5.08 -4.77 -2.89 3.02 -1.26 -2.11 115.26 101.58 1l5b n ASN 60 Ca -0.00 -0.94 -0.39 0.00 -0.03 0.00 0.00 54.58 53.22 1l5b n ASN 60 Cb 0.63 -2.19 -0.04 0.00 -0.61 0.00 0.00 39.78 37.57 1l5b n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1l5b s THR 61 N -3.12 3.36 0.03 3.41 -4.23 -1.26 -4.28 115.64 109.54 1l5b s THR 61 Ca 0.13 1.27 -0.27 0.00 -1.18 0.00 0.00 61.69 61.64 1l5b s THR 61 Cb -0.06 -3.77 0.07 0.00 1.34 0.00 0.00 72.50 70.07 1l5b s THR 61 CO 0.89 0.23 0.63 -1.58 -0.54 0.00 0.00 174.62 174.25 1l5b s GLN 62 N -1.82 1.12 -0.19 3.99 0.74 0.45 -4.96 119.66 118.98 1l5b s GLN 62 Ca 0.49 -0.04 -0.07 0.00 0.05 0.00 0.00 55.36 55.80 1l5b s GLN 62 Cb -0.31 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 1l5b s GLN 62 CO 0.40 -0.40 0.05 -1.17 -0.55 0.00 0.00 175.29 173.61 1l5b s LEU 63 N -1.78 3.61 -0.16 3.68 2.96 -1.26 0.19 118.68 125.92 1l5b s LEU 63 Ca -0.07 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1l5b s LEU 63 Cb -0.00 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 1l5b s LEU 63 CO 0.01 0.12 -0.11 0.00 -1.32 0.00 0.00 176.35 175.06 1l5b s ALA 64 N 0.68 2.67 0.00 5.97 0.00 0.89 -4.95 121.76 127.02 1l5b s ALA 64 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1l5b s ALA 64 Cb -0.13 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1l5b s ALA 64 CO 0.02 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1l5b n GLY 65 N 4.04 0.36 0.08 0.00 0.00 -1.26 -2.42 105.19 105.98 1l5b n GLY 65 Ca -0.18 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1l5b n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1l5b h SER 66 N 8.45 0.00 0.00 1.61 4.64 -2.05 -3.42 113.55 122.78 1l5b h SER 66 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1l5b h SER 66 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1l5b h SER 66 CO 0.00 0.92 -0.51 -1.54 -0.87 0.00 0.00 176.83 174.84 1l5b n SER 67 N -3.11 0.09 -4.43 4.97 3.41 -1.25 -5.01 113.62 108.30 1l5b n SER 67 Ca -0.11 -1.79 -0.39 0.00 -0.26 0.00 0.00 58.87 56.33 1l5b n SER 67 Cb 0.98 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 1l5b n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1l5b s GLU 68 N 0.00 3.23 0.23 4.33 2.12 -1.02 0.90 118.70 128.50 1l5b s GLU 68 Ca 0.09 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 1l5b s GLU 68 Cb 0.11 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.81 1l5b s GLU 68 CO -0.05 -0.48 1.01 -1.17 -0.54 0.00 0.00 175.26 174.03 1l5b s LEU 69 N 1.60 4.59 0.00 2.70 2.96 -0.18 -0.08 118.68 130.28 1l5b s LEU 69 Ca 0.04 2.05 0.03 0.00 -0.22 0.00 0.00 54.13 56.03 1l5b s LEU 69 Cb -0.17 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 1l5b s LEU 69 CO 0.06 0.01 -0.08 0.00 -1.32 0.00 0.00 176.35 175.02 1l5b s ALA 70 N -0.97 0.68 0.00 5.97 0.00 0.51 -2.44 121.76 125.51 1l5b s ALA 70 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1l5b s ALA 70 Cb -0.28 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1l5b s ALA 70 CO 0.35 0.15 0.00 0.00 0.00 0.00 0.00 175.76 176.26 1l5b n ALA 71 N 2.72 0.00 -3.46 0.00 0.00 -1.21 0.17 120.51 118.72 1l5b n ALA 71 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1l5b n ALA 71 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 1l5b n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1l5b s GLU 72 N -1.46 1.26 0.10 0.00 2.02 -0.90 -1.07 118.70 118.65 1l5b s GLU 72 Ca 0.00 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 54.75 1l5b s GLU 72 Cb 0.00 -1.11 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 1l5b s GLU 72 CO 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 175.26 175.18 1l5b s LYS 74 N -2.82 3.81 0.98 0.00 2.20 -1.08 -1.03 119.74 121.80 1l5b s LYS 74 Ca 0.06 1.60 -0.14 0.00 -0.36 0.00 0.00 55.97 57.13 1l5b s LYS 74 Cb -0.03 -4.01 0.18 0.00 -1.51 0.00 0.00 37.83 32.46 1l5b s LYS 74 CO 0.00 -1.27 1.17 0.95 -0.36 0.00 0.00 175.35 175.84 1l5b s THR 75 N 5.08 1.92 0.39 3.43 -4.23 -0.65 -4.93 115.64 116.65 1l5b s THR 75 Ca 0.69 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 1l5b s THR 75 Cb -0.24 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1l5b s THR 75 CO 0.28 0.00 1.91 0.03 -0.54 0.00 0.00 174.62 176.30 1l5b h ARG 76 N -1.75 0.17 -0.91 3.99 3.08 -1.97 -1.98 114.38 115.01 1l5b h ARG 76 Ca -0.48 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.37 1l5b h ARG 76 Cb 1.30 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.24 1l5b h ARG 76 CO 0.51 0.35 0.20 0.00 -1.07 0.00 0.00 179.97 179.96 1l5b n ALA 77 N -2.49 3.72 -3.76 0.04 0.00 -1.26 -4.91 120.51 111.85 1l5b n ALA 77 Ca -0.01 -1.26 -0.27 0.00 0.00 0.00 0.00 53.44 51.89 1l5b n ALA 77 Cb 0.29 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 1l5b n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1l5b n GLN 78 N -0.06 -0.87 -4.91 0.00 1.13 -0.74 -4.98 117.38 106.94 1l5b n GLN 78 Ca 0.24 0.08 -0.31 0.00 -1.94 0.00 0.00 57.00 55.07 1l5b n GLN 78 Cb 0.95 -3.04 -0.14 0.00 0.11 0.00 0.00 30.24 28.12 1l5b n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1l5b s GLN 79 N -5.82 2.16 -0.07 -1.09 -0.21 -1.26 -4.84 119.66 108.52 1l5b s GLN 79 Ca 0.33 -0.91 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 1l5b s GLN 79 Cb -0.19 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1l5b s GLN 79 CO 0.74 0.56 1.00 -0.06 -2.12 0.00 0.00 175.29 175.41 1l5b s PHE 80 N -0.78 3.56 0.20 0.91 0.40 -1.26 -1.64 117.98 119.37 1l5b s PHE 80 Ca 0.12 1.63 0.07 0.00 -0.60 0.00 0.00 56.93 58.15 1l5b s PHE 80 Cb -0.10 -3.17 -0.05 0.00 0.51 0.00 0.00 43.02 40.21 1l5b s PHE 80 CO 0.02 -0.16 -0.13 0.54 0.70 0.00 0.00 175.22 176.19 1l5b s VAL 81 N 1.71 1.65 -0.00 -0.44 0.11 -0.20 -4.89 120.40 118.34 1l5b s VAL 81 Ca 0.49 -2.19 -0.28 0.00 -2.93 0.00 0.00 61.98 57.08 1l5b s VAL 81 Cb -0.19 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 1l5b s VAL 81 CO 0.21 -0.61 0.89 -0.55 -3.33 0.00 0.00 175.10 171.71 1l5b s SER 82 N -3.30 7.27 0.27 3.54 0.15 -1.26 -0.10 113.70 120.27 1l5b s SER 82 Ca 0.22 1.53 0.03 0.00 0.70 0.00 0.00 55.95 58.42 1l5b s SER 82 Cb -0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1l5b s SER 82 CO 0.06 -0.18 0.17 0.28 1.20 0.00 0.00 173.24 174.77 1l5b s THR 83 N 0.78 0.15 0.07 6.45 -1.32 -0.23 -4.92 115.64 116.63 1l5b s THR 83 Ca 0.47 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.69 1l5b s THR 83 Cb -0.20 -2.51 0.07 0.00 -1.51 0.00 0.00 72.50 68.34 1l5b s THR 83 CO 0.25 0.00 0.61 -0.54 -2.21 0.00 0.00 174.62 172.73 1l5b s LYS 84 N -3.87 1.16 -0.13 7.08 1.02 -1.26 -3.35 119.74 120.39 1l5b s LYS 84 Ca 0.38 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 55.98 1l5b s LYS 84 Cb 0.05 0.54 0.05 0.00 -0.52 0.00 0.00 37.83 37.95 1l5b s LYS 84 CO 0.18 -0.45 0.49 0.96 -0.92 0.00 0.00 175.35 175.60 1l5b s ILE 85 N -2.73 0.01 -0.35 2.17 -0.00 -1.02 -5.00 121.20 114.29 1l5b s ILE 85 Ca -0.04 -0.09 -0.21 0.00 -0.00 0.00 0.00 60.65 60.31 1l5b s ILE 85 Cb -0.01 -0.73 0.00 0.00 -0.00 0.00 0.00 42.46 41.73 1l5b s ILE 85 CO -0.04 -0.05 0.64 0.21 -0.00 0.00 0.00 174.94 175.70 1l5b s ASN 86 N -0.25 6.45 0.54 4.36 2.47 -1.26 -1.01 114.94 126.23 1l5b s ASN 86 Ca -0.04 0.21 0.33 0.00 0.42 0.00 0.00 52.86 53.78 1l5b s ASN 86 Cb -0.03 -2.33 1.36 0.00 -1.45 0.00 0.00 41.25 38.79 1l5b s ASN 86 CO 0.03 -0.58 1.97 -0.07 -3.72 0.00 0.00 177.10 174.73 1l5b h LEU 87 N 9.36 0.00 -1.22 3.21 3.38 0.13 -2.32 115.31 127.85 1l5b h LEU 87 Ca -0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1l5b h LEU 87 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1l5b h LEU 87 CO 0.83 0.00 -0.37 0.44 0.09 0.00 0.00 178.44 179.44 1l5b h ASP 88 N 0.00 0.04 -0.74 -0.43 3.32 -1.81 0.79 116.42 117.59 1l5b h ASP 88 Ca 0.00 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1l5b h ASP 88 Cb 0.50 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.92 1l5b h ASP 88 CO 0.00 0.41 -0.47 0.44 -1.72 0.00 0.00 179.24 177.89 1l5b h ASP 89 N 0.04 -1.68 0.00 6.45 3.32 -1.76 -3.34 116.42 119.45 1l5b h ASP 89 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1l5b h ASP 89 Cb 0.67 0.77 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1l5b h ASP 89 CO 0.05 -0.31 -0.54 1.41 -1.72 0.00 0.00 179.24 178.13 1l5b n HIS 90 N -5.38 0.00 -2.54 4.55 8.25 -1.15 -5.02 115.22 113.93 1l5b n HIS 90 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 1l5b n HIS 90 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.42 1l5b n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1l5b s ILE 91 N -1.32 4.47 0.33 1.59 -1.09 0.27 -3.39 121.20 122.06 1l5b s ILE 91 Ca 0.00 1.77 0.09 0.00 -2.23 0.00 0.00 60.65 60.28 1l5b s ILE 91 Cb 0.00 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1l5b s ILE 91 CO 0.00 -0.08 0.06 0.00 -1.23 0.00 0.00 174.94 173.68 1l5b s ALA 92 N 2.77 3.30 -0.25 9.38 0.00 -0.92 -4.60 121.76 131.45 1l5b s ALA 92 Ca 0.51 -1.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 1l5b s ALA 92 Cb -0.20 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1l5b s ALA 92 CO 0.15 0.07 0.16 1.21 0.00 0.00 0.00 175.76 177.36 1l5b s ASN 93 N -3.76 6.03 -0.57 0.00 3.04 -1.26 -2.00 114.94 116.42 1l5b s ASN 93 Ca 0.35 0.07 0.04 0.00 0.04 0.00 0.00 52.86 53.37 1l5b s ASN 93 Cb -0.02 -2.09 0.14 0.00 -1.54 0.00 0.00 41.25 37.74 1l5b s ASN 93 CO 0.21 0.04 0.33 -0.63 -3.04 0.00 0.00 177.10 174.01 1l5b s ILE 94 N 1.19 2.60 -0.90 -5.21 -1.09 0.60 -4.80 121.20 113.60 1l5b s ILE 94 Ca 0.07 -3.57 -0.02 0.00 -2.23 0.00 0.00 60.65 54.90 1l5b s ILE 94 Cb -0.14 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 1l5b s ILE 94 CO 0.06 -0.87 0.76 -0.67 -1.23 0.00 0.00 174.94 172.99 1l5b n ASP 95 N 2.78 -3.52 -0.15 3.58 2.03 -1.26 -2.68 116.55 117.32 1l5b n ASP 95 Ca 0.10 -0.52 -0.02 0.00 0.52 0.00 0.00 54.79 54.87 1l5b n ASP 95 Cb 0.33 -4.17 -0.01 0.00 -0.72 0.00 0.00 41.12 36.55 1l5b n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l5b n GLY 96 N -1.18 0.38 3.10 0.27 0.00 -1.26 -5.02 105.19 101.48 1l5b n GLY 96 Ca -0.16 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1l5b n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l5b s THR 97 N -1.57 1.50 -0.06 2.61 2.01 -1.09 -5.12 115.64 113.91 1l5b s THR 97 Ca 0.00 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1l5b s THR 97 Cb 0.00 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1l5b s THR 97 CO 0.00 0.44 0.91 -0.76 -0.69 0.00 0.00 174.62 174.52 1l5b s LEU 98 N 0.52 4.30 -0.03 4.42 1.43 -1.26 -0.29 118.68 127.77 1l5b s LEU 98 Ca -0.16 1.47 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1l5b s LEU 98 Cb -0.17 -3.43 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1l5b s LEU 98 CO 0.06 -0.30 -0.06 -0.54 0.23 0.00 0.00 176.35 175.74 1l5b s LYS 99 N 1.40 0.82 -0.25 1.70 -0.14 -0.85 -4.93 119.74 117.49 1l5b s LYS 99 Ca 0.46 -0.17 -0.18 0.00 -1.36 0.00 0.00 55.97 54.72 1l5b s LYS 99 Cb -0.19 -0.80 -0.03 0.00 -1.68 0.00 0.00 37.83 35.14 1l5b s LYS 99 CO 0.21 -0.00 0.53 -0.47 -0.76 0.00 0.00 175.35 174.86 1l5b s TYR 100 N 0.57 3.28 0.00 3.18 5.04 -1.26 -2.17 117.35 125.99 1l5b s TYR 100 Ca -0.08 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1l5b s TYR 100 Cb -0.11 -2.72 0.00 0.00 0.35 0.00 0.00 41.96 39.47 1l5b s TYR 100 CO 0.00 -0.26 0.17 -0.85 -1.34 0.00 0.00 175.55 173.28