#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n PHE 12 N 0.00 -0.02 -0.03 5.64 1.16 -1.26 -4.76 117.46 118.20 3d5b n PHE 12 Ca 0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 57.45 55.44 3d5b n PHE 12 Cb 0.00 0.33 -0.07 0.00 -1.61 0.00 0.00 39.48 38.13 3d5b n PHE 12 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3d5b h ARG 13 N 0.01 -0.36 -0.94 3.97 3.08 -2.04 -2.17 114.38 115.93 3d5b h ARG 13 Ca -0.03 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.33 3d5b h ARG 13 Cb 0.63 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.61 3d5b h ARG 13 CO -0.02 -0.24 0.27 0.28 -1.07 0.00 0.00 179.97 179.19 3d5b h VAL 14 N -0.38 0.19 -0.51 2.04 2.07 -2.00 0.17 116.25 117.84 3d5b h VAL 14 Ca 0.03 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3d5b h VAL 14 Cb 0.46 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.17 3d5b h VAL 14 CO -0.33 0.03 -0.15 0.03 0.02 0.00 0.00 177.57 177.17 3d5b h ARG 15 N 0.14 -0.03 0.00 1.57 3.08 -1.81 0.88 114.38 118.21 3d5b h ARG 15 Ca 0.63 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.66 3d5b h ARG 15 Cb 1.38 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 3d5b h ARG 15 CO -0.73 -0.02 -0.12 -0.91 -1.07 0.00 0.00 179.97 177.12 3d5b h ASN 16 N -0.03 0.00 0.66 7.04 2.35 -0.64 -2.36 115.58 122.60 3d5b h ASN 16 Ca 0.24 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3d5b h ASN 16 Cb 0.40 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.78 3d5b h ASN 16 CO -0.54 0.12 -0.32 -0.09 -1.65 0.00 0.00 177.43 174.95 3d5b h ARG 17 N 0.00 -0.85 0.00 0.81 2.43 -0.62 -2.93 114.38 113.21 3d5b h ARG 17 Ca -0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3d5b h ARG 17 Cb 0.21 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3d5b h ARG 17 CO 0.02 -0.56 0.00 0.44 -1.51 0.00 0.00 179.97 178.36 3d5b n ILE 18 N -5.46 0.40 0.31 1.20 -0.00 -1.12 -2.87 119.36 111.83 3d5b n ILE 18 Ca -0.13 -0.02 0.20 0.00 -0.00 0.00 0.00 62.75 62.80 3d5b n ILE 18 Cb 0.36 -0.66 0.98 0.00 -0.00 0.00 0.00 39.64 40.32 3d5b n ILE 18 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 3d5b h LYS 19 N 0.00 0.00 -0.19 6.28 1.57 -1.23 -0.83 116.57 122.17 3d5b h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d5b h LYS 19 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3d5b h LYS 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 3d5b n ARG 20 N -3.10 1.72 0.00 3.15 1.74 -1.14 -4.74 116.66 114.30 3d5b n ARG 20 Ca -0.01 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 3d5b n ARG 20 Cb 0.18 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3d5b n ARG 20 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3d5b n THR 21 N 0.77 0.00 0.00 0.55 -1.04 -0.32 -5.08 114.28 109.17 3d5b n THR 21 Ca 0.11 0.68 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 3d5b n THR 21 Cb 0.40 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3d5b n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d5b n GLY 22 N 1.26 3.25 3.79 3.41 0.00 -1.25 -5.12 105.19 110.54 3d5b n GLY 22 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3d5b n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5b s ARG 23 N 3.65 2.20 -0.66 1.61 0.52 -1.26 -4.89 118.95 120.13 3d5b s ARG 23 Ca 0.00 -2.25 -0.07 0.00 -0.52 0.00 0.00 55.73 52.89 3d5b s ARG 23 Cb 0.00 -1.71 0.01 0.00 0.52 0.00 0.00 34.95 33.76 3d5b s ARG 23 CO 0.00 -0.39 0.66 1.28 0.02 0.00 0.00 175.30 176.86 3d5b n LEU 24 N -1.38 -5.84 -4.81 2.53 4.77 -1.26 -4.47 117.00 106.54 3d5b n LEU 24 Ca -0.13 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 3d5b n LEU 24 Cb 0.66 -2.89 -0.04 0.00 -2.33 0.00 0.00 43.42 38.81 3d5b n LEU 24 CO 0.39 -1.06 0.68 -0.60 -1.33 0.00 0.00 177.39 175.48 3d5b s ARG 25 N -3.21 3.94 -0.71 3.23 3.52 -0.31 -3.40 118.95 122.01 3d5b s ARG 25 Ca 0.09 1.19 0.05 0.00 -0.13 0.00 0.00 55.73 56.93 3d5b s ARG 25 Cb -0.02 -2.13 0.19 0.00 -1.56 0.00 0.00 34.95 31.44 3d5b s ARG 25 CO 0.79 -0.29 0.59 -0.11 -0.81 0.00 0.00 175.30 175.47 3d5b n LEU 26 N -1.05 3.35 -4.59 -0.88 0.00 -0.17 -0.99 117.00 112.67 3d5b n LEU 26 Ca 0.08 -5.27 -0.41 0.00 0.00 0.00 0.00 56.01 50.41 3d5b n LEU 26 Cb 0.53 -0.77 -0.03 0.00 0.00 0.00 0.00 43.42 43.16 3d5b n LEU 26 CO 0.40 1.82 1.86 -0.44 0.00 0.00 0.00 177.39 181.04 3d5b s SER 27 N -1.65 5.22 -1.01 1.96 0.01 -0.38 -1.95 113.70 115.91 3d5b s SER 27 Ca 0.29 1.60 -0.03 0.00 1.31 0.00 0.00 55.95 59.12 3d5b s SER 27 Cb 0.01 -2.51 0.30 0.00 0.21 0.00 0.00 66.02 64.02 3d5b s SER 27 CO -0.12 -2.19 1.34 0.52 0.41 0.00 0.00 173.24 173.20 3d5b n VAL 28 N 7.79 4.80 -2.62 3.43 0.31 -1.11 -2.21 118.33 128.71 3d5b n VAL 28 Ca 0.31 -5.79 -0.42 0.00 -0.01 0.00 0.00 64.34 58.43 3d5b n VAL 28 Cb 0.48 -2.11 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 3d5b n VAL 28 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3d5b s PHE 29 N -2.65 3.53 -0.04 3.52 2.19 -1.15 -4.77 117.98 118.61 3d5b s PHE 29 Ca 0.32 1.55 0.04 0.00 0.33 0.00 0.00 56.93 59.17 3d5b s PHE 29 Cb 0.05 -3.23 -0.00 0.00 -1.31 0.00 0.00 43.02 38.53 3d5b s PHE 29 CO 0.08 -0.45 -0.17 -0.98 1.83 0.00 0.00 175.22 175.53 3d5b s ARG 30 N 1.38 1.70 0.81 10.12 1.04 -1.26 -0.93 118.95 131.82 3d5b s ARG 30 Ca 0.53 -0.59 -0.09 0.00 -1.04 0.00 0.00 55.73 54.53 3d5b s ARG 30 Cb -0.22 -1.50 0.18 0.00 -2.04 0.00 0.00 34.95 31.37 3d5b s ARG 30 CO 0.25 0.25 1.11 0.45 -0.04 0.00 0.00 175.30 177.32 3d5b n SER 31 N 3.11 0.56 0.05 -2.89 2.88 0.78 -4.94 113.62 113.17 3d5b n SER 31 Ca -0.18 -1.69 0.09 0.00 -1.33 0.00 0.00 58.87 55.76 3d5b n SER 31 Cb 0.53 -0.80 0.38 0.00 -0.75 0.00 0.00 64.21 63.57 3d5b n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3d5b n LEU 32 N 0.00 0.27 0.00 2.46 4.77 -1.26 -3.55 117.00 119.70 3d5b n LEU 32 Ca 0.15 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3d5b n LEU 32 Cb 0.54 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3d5b n LEU 32 CO 0.38 -0.38 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 3d5b n LYS 33 N -1.80 0.00 -4.33 3.23 0.00 -1.26 -5.12 118.16 108.88 3d5b n LYS 33 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.09 3d5b n LYS 33 Cb 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 35.03 35.10 3d5b n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3d5b s HIS 34 N 0.00 2.56 -0.34 5.64 0.09 -1.23 -4.77 115.29 117.24 3d5b s HIS 34 Ca 0.00 -0.54 0.03 0.00 -0.00 0.00 0.00 55.06 54.55 3d5b s HIS 34 Cb 0.00 -1.71 0.16 0.00 -0.00 0.00 0.00 32.58 31.03 3d5b s HIS 34 CO 0.00 0.37 0.41 -1.50 -0.00 0.00 0.00 174.74 174.02 3d5b s ILE 35 N -2.59 -0.53 0.18 0.60 1.10 -1.26 -0.16 121.20 118.54 3d5b s ILE 35 Ca 0.37 -0.55 -0.25 0.00 -0.51 0.00 0.00 60.65 59.70 3d5b s ILE 35 Cb 0.03 -0.75 -0.08 0.00 0.15 0.00 0.00 42.46 41.81 3d5b s ILE 35 CO 0.20 -0.39 0.78 -0.31 -2.11 0.00 0.00 174.94 173.11 3d5b s TYR 36 N 2.01 3.89 -0.18 3.50 1.51 -0.10 -3.37 117.35 124.61 3d5b s TYR 36 Ca 0.13 1.63 -0.01 0.00 -1.01 0.00 0.00 57.07 57.81 3d5b s TYR 36 Cb -0.13 -2.77 0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3d5b s TYR 36 CO -0.18 0.49 -0.03 0.00 -1.11 0.00 0.00 175.55 174.73 3d5b s ALA 37 N -1.19 1.42 -0.05 3.71 0.00 -0.76 -2.94 121.76 121.95 3d5b s ALA 37 Ca 0.37 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.53 3d5b s ALA 37 Cb -0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3d5b s ALA 37 CO 0.26 -0.92 -0.24 -0.65 0.00 0.00 0.00 175.76 174.21 3d5b s GLN 38 N 1.66 2.35 -0.81 0.00 1.11 -0.94 -0.12 119.66 122.90 3d5b s GLN 38 Ca -0.01 -0.87 -0.14 0.00 0.01 0.00 0.00 55.36 54.36 3d5b s GLN 38 Cb -0.16 -2.04 0.21 0.00 -1.01 0.00 0.00 33.01 30.01 3d5b s GLN 38 CO -0.07 0.40 0.76 0.42 0.01 0.00 0.00 175.29 176.80 3d5b s ILE 39 N -0.23 5.59 -0.22 1.08 -1.09 -0.81 -1.25 121.20 124.27 3d5b s ILE 39 Ca -0.01 -2.42 -0.08 0.00 -2.23 0.00 0.00 60.65 55.92 3d5b s ILE 39 Cb -0.13 -4.46 -0.04 0.00 -1.58 0.00 0.00 42.46 36.25 3d5b s ILE 39 CO 0.03 -1.02 0.09 -0.63 -1.23 0.00 0.00 174.94 172.17 3d5b s ILE 40 N 0.25 4.69 -0.17 2.92 1.01 -0.16 0.20 121.20 129.93 3d5b s ILE 40 Ca 0.17 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 3d5b s ILE 40 Cb -0.11 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3d5b s ILE 40 CO -0.08 0.38 0.55 -0.62 0.00 0.00 0.00 174.94 175.16 3d5b s ASP 41 N 1.07 6.65 1.15 3.58 2.15 -0.71 -1.16 116.67 129.40 3d5b s ASP 41 Ca 0.05 0.78 -0.19 0.00 0.43 0.00 0.00 52.55 53.62 3d5b s ASP 41 Cb -0.14 -2.31 0.27 0.00 -0.30 0.00 0.00 42.92 40.44 3d5b s ASP 41 CO 0.03 -0.16 1.18 -1.81 -0.17 0.00 0.00 175.17 174.25 3d5b s ASP 42 N 1.02 1.45 -1.20 -0.34 1.11 -1.26 -2.93 116.67 114.53 3d5b s ASP 42 Ca 0.26 0.47 0.00 0.00 0.18 0.00 0.00 52.55 53.46 3d5b s ASP 42 Cb -0.16 -0.61 0.00 0.00 1.07 0.00 0.00 42.92 43.22 3d5b s ASP 42 CO 0.10 -3.78 0.00 1.21 1.18 0.00 0.00 175.17 173.88 3d5b n GLU 43 N -4.51 -0.91 0.00 8.23 2.13 -1.26 -4.52 120.64 119.81 3d5b n GLU 43 Ca 0.15 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3d5b n GLU 43 Cb 0.60 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 27.43 3d5b n GLU 43 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3d5b n LYS 44 N -2.45 0.00 -0.96 5.31 2.85 -1.26 -5.08 118.16 116.57 3d5b n LYS 44 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 3d5b n LYS 44 Cb 0.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 3d5b n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d5b n GLY 45 N -1.07 0.86 2.91 2.58 0.00 -1.15 -5.11 105.19 104.20 3d5b n GLY 45 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3d5b n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5b s VAL 46 N -2.64 -0.02 0.01 1.61 1.01 -1.23 -5.03 120.40 114.10 3d5b s VAL 46 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 3d5b s VAL 46 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 3d5b s VAL 46 CO 0.00 0.03 0.35 -0.89 0.00 0.00 0.00 175.10 174.59 3d5b s THR 47 N 0.51 5.16 0.00 3.92 2.01 -1.26 -1.73 115.64 124.24 3d5b s THR 47 Ca -0.04 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.49 3d5b s THR 47 Cb -0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3d5b s THR 47 CO -0.02 0.46 0.00 0.18 -0.69 0.00 0.00 174.62 174.55 3d5b n LEU 48 N 1.45 0.00 -4.35 4.42 4.32 0.13 -4.90 117.00 118.07 3d5b n LEU 48 Ca -0.13 0.00 -0.45 0.00 -0.02 0.00 0.00 56.01 55.41 3d5b n LEU 48 Cb 0.53 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 42.23 3d5b n LEU 48 CO 0.39 -0.05 0.28 -0.69 -1.22 0.00 0.00 177.39 176.10 3d5b s VAL 49 N -0.10 5.00 -0.70 4.08 1.01 -1.26 -4.92 120.40 123.51 3d5b s VAL 49 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 3d5b s VAL 49 Cb 0.00 -4.41 0.18 0.00 0.00 0.00 0.00 36.38 32.15 3d5b s VAL 49 CO 0.00 -1.00 0.61 -0.94 0.00 0.00 0.00 175.10 173.78 3d5b s SER 50 N 3.58 6.28 -0.58 3.32 1.04 -1.26 -1.93 113.70 124.16 3d5b s SER 50 Ca 0.08 -2.47 -0.16 0.00 0.48 0.00 0.00 55.95 53.88 3d5b s SER 50 Cb -0.27 -2.13 0.13 0.00 0.10 0.00 0.00 66.02 63.86 3d5b s SER 50 CO 0.05 -0.60 0.56 0.00 0.98 0.00 0.00 173.24 174.22 3d5b s ALA 51 N 0.52 3.65 1.14 5.32 0.00 0.82 -4.97 121.76 128.25 3d5b s ALA 51 Ca 0.14 -2.57 -0.12 0.00 0.00 0.00 0.00 51.96 49.41 3d5b s ALA 51 Cb -0.17 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.78 3d5b s ALA 51 CO -0.05 -2.10 0.62 0.43 0.00 0.00 0.00 175.76 174.67 3d5b n SER 52 N 5.30 -1.59 0.00 0.00 7.64 -1.26 -1.83 113.62 121.88 3d5b n SER 52 Ca -0.11 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.89 3d5b n SER 52 Cb 0.41 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3d5b n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3d5b n SER 53 N -4.05 0.00 0.00 6.43 2.88 -1.22 -4.74 113.62 112.93 3d5b n SER 53 Ca 0.09 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.67 3d5b n SER 53 Cb 0.33 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.98 3d5b n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3d5b n LEU 54 N 0.00 0.00 -2.10 2.46 7.99 -1.26 -0.58 117.00 123.51 3d5b n LEU 54 Ca 0.00 0.50 -0.22 0.00 -0.01 0.00 0.00 56.01 56.27 3d5b n LEU 54 Cb 0.00 -0.50 0.17 0.00 -0.11 0.00 0.00 43.42 42.98 3d5b n LEU 54 CO 0.00 -0.35 1.22 0.00 -1.51 0.00 0.00 177.39 176.75 3d5b n ALA 55 N -1.50 5.50 -0.74 -1.18 0.00 -1.26 -4.70 120.51 116.63 3d5b n ALA 55 Ca 0.02 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.47 3d5b n ALA 55 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3d5b n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3d5b n LEU 56 N -1.12 0.00 0.00 0.00 7.94 0.26 -4.84 117.00 119.24 3d5b n LEU 56 Ca 0.57 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 3d5b n LEU 56 Cb 1.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.45 3d5b n LEU 56 CO 0.57 -0.13 0.00 1.17 -1.11 0.00 0.00 177.39 177.89 3d5b n LYS 57 N -1.39 0.00 -0.71 1.96 4.81 -1.16 -5.06 118.16 116.61 3d5b n LYS 57 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 3d5b n LYS 57 Cb 0.00 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.21 3d5b n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3d5b n LEU 58 N -1.06 -2.16 0.00 3.14 4.32 -1.26 -5.01 117.00 114.96 3d5b n LEU 58 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 3d5b n LEU 58 Cb 0.00 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 3d5b n LEU 58 CO 0.00 -3.15 0.00 2.29 -1.22 0.00 0.00 177.39 175.31 3d5b n LYS 59 N -1.66 2.97 -3.35 3.23 2.85 -1.26 -4.87 118.16 116.06 3d5b n LYS 59 Ca 0.01 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.01 3d5b n LYS 59 Cb 0.62 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.92 3d5b n LYS 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d5b n GLY 60 N 1.88 3.33 2.58 2.58 0.00 -1.26 -4.91 105.19 109.40 3d5b n GLY 60 Ca 0.00 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 3d5b n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3d5b n ASN 61 N 1.58 -2.04 -0.01 1.61 4.05 -1.26 -5.06 115.26 114.13 3d5b n ASN 61 Ca 0.25 -2.84 -0.00 0.00 0.45 0.00 0.00 54.58 52.44 3d5b n ASN 61 Cb 0.47 0.83 -0.00 0.00 1.23 0.00 0.00 39.78 42.31 3d5b n ASN 61 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 3d5b n LYS 62 N 2.37 -0.01 0.51 1.20 2.85 -1.26 0.22 118.16 124.04 3d5b n LYS 62 Ca 0.19 0.06 -0.20 0.00 -1.05 0.00 0.00 58.31 57.30 3d5b n LYS 62 Cb 0.55 -0.08 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 3d5b n LYS 62 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3d5b h THR 63 N 0.00 0.04 -0.81 0.58 1.35 -1.94 0.16 112.91 112.29 3d5b h THR 63 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 3d5b h THR 63 Cb 0.01 0.04 -0.08 0.00 -1.73 0.00 0.00 68.15 66.40 3d5b h THR 63 CO -0.03 0.00 0.45 -0.33 -0.25 0.00 0.00 175.52 175.37 3d5b h GLU 64 N -1.30 0.73 -0.84 4.72 3.07 -1.29 -0.18 114.58 119.49 3d5b h GLU 64 Ca -0.13 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.72 3d5b h GLU 64 Cb 1.00 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.69 3d5b h GLU 64 CO 0.21 0.48 0.53 0.28 -1.40 0.00 0.00 179.01 179.11 3d5b h VAL 65 N 0.75 1.12 -0.74 3.13 2.07 -0.05 -0.54 116.25 121.99 3d5b h VAL 65 Ca 0.40 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3d5b h VAL 65 Cb 0.40 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3d5b h VAL 65 CO -0.26 0.19 0.49 0.00 0.02 0.00 0.00 177.57 178.00 3d5b h ALA 66 N 1.35 1.97 0.39 1.67 0.00 0.12 0.11 119.26 124.87 3d5b h ALA 66 Ca 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3d5b h ALA 66 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3d5b h ALA 66 CO -0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 179.25 178.79 3d5b h ARG 67 N 0.52 -0.51 -0.31 0.00 3.08 -0.64 -1.41 114.38 115.12 3d5b h ARG 67 Ca 0.35 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.47 3d5b h ARG 67 Cb 0.65 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3d5b h ARG 67 CO -0.12 -0.20 0.21 1.96 -1.07 0.00 0.00 179.97 180.75 3d5b h GLN 68 N -0.94 0.29 0.01 0.04 4.20 -0.71 0.11 115.11 118.11 3d5b h GLN 68 Ca -0.05 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 3d5b h GLN 68 Cb 0.55 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3d5b h GLN 68 CO 0.09 0.19 -0.89 -0.24 -0.67 0.00 0.00 178.83 177.31 3d5b h VAL 69 N 0.30 1.57 -0.67 -0.54 3.04 -0.83 -1.58 116.25 117.54 3d5b h VAL 69 Ca 0.13 -2.83 -0.02 0.00 -1.01 0.00 0.00 66.70 62.96 3d5b h VAL 69 Cb 0.13 2.57 -0.03 0.00 -2.01 0.00 0.00 31.29 31.95 3d5b h VAL 69 CO -0.03 0.82 0.34 1.23 -1.01 0.00 0.00 177.57 178.92 3d5b h GLY 70 N 2.25 1.02 1.66 3.17 0.00 0.13 -1.55 103.07 109.74 3d5b h GLY 70 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 3d5b h GLY 70 CO 0.13 0.47 -0.37 3.21 0.00 0.00 0.00 176.54 179.97 3d5b h ARG 71 N 0.92 0.39 -0.78 4.80 3.08 -1.14 -2.49 114.38 119.15 3d5b h ARG 71 Ca 0.23 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3d5b h ARG 71 Cb 0.09 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 3d5b h ARG 71 CO -0.03 0.71 0.47 0.00 -1.07 0.00 0.00 179.97 180.04 3d5b h ALA 72 N 1.28 1.06 -0.40 0.04 0.00 -0.66 -0.62 119.26 119.97 3d5b h ALA 72 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3d5b h ALA 72 Cb 0.81 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3d5b h ALA 72 CO 0.06 0.18 0.23 -0.07 0.00 0.00 0.00 179.25 179.66 3d5b h LEU 73 N 0.85 0.38 0.04 0.00 3.38 -0.95 -2.97 115.31 116.05 3d5b h LEU 73 Ca 0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.35 3d5b h LEU 73 Cb 0.18 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3d5b h LEU 73 CO -0.18 0.27 -0.35 0.00 0.09 0.00 0.00 178.44 178.28 3d5b h ALA 74 N 1.17 -0.54 -0.59 1.53 0.00 -0.72 0.56 119.26 120.67 3d5b h ALA 74 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3d5b h ALA 74 Cb 0.01 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3d5b h ALA 74 CO -0.07 -0.87 0.29 0.93 0.00 0.00 0.00 179.25 179.53 3d5b h GLU 75 N -0.53 0.53 -0.02 0.00 5.08 -1.29 0.21 114.58 118.55 3d5b h GLU 75 Ca 0.05 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3d5b h GLU 75 Cb 0.59 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3d5b h GLU 75 CO -0.25 0.35 -0.84 0.87 -1.00 0.00 0.00 179.01 178.14 3d5b h LYS 76 N 0.54 0.32 0.48 2.33 1.57 -1.32 -2.90 116.57 117.59 3d5b h LYS 76 Ca 0.27 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3d5b h LYS 76 Cb 0.22 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3d5b h LYS 76 CO -0.21 0.99 -0.23 0.00 -0.57 0.00 0.00 179.45 179.43 3d5b h ALA 77 N 0.91 -0.65 -0.40 3.86 0.00 0.73 -2.81 119.26 120.91 3d5b h ALA 77 Ca -0.05 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3d5b h ALA 77 Cb 1.44 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3d5b h ALA 77 CO 0.14 -0.66 0.28 -0.07 0.00 0.00 0.00 179.25 178.95 3d5b h LEU 78 N -1.06 0.03 0.89 0.00 3.38 -1.06 0.10 115.31 117.59 3d5b h LEU 78 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3d5b h LEU 78 Cb 0.58 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3d5b h LEU 78 CO 0.11 0.02 -0.46 0.00 0.09 0.00 0.00 178.44 178.20 3d5b h ALA 79 N 1.80 -1.25 0.00 1.53 0.00 -1.42 -2.31 119.26 117.62 3d5b h ALA 79 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d5b h ALA 79 Cb 0.71 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3d5b h ALA 79 CO -0.01 -1.21 0.00 1.28 0.00 0.00 0.00 179.25 179.31 3d5b n LEU 80 N -5.63 0.00 0.00 0.00 4.77 -0.96 -4.83 117.00 110.36 3d5b n LEU 80 Ca -0.16 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3d5b n LEU 80 Cb 0.50 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3d5b n LEU 80 CO 0.39 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3d5b n GLY 81 N -0.22 0.81 3.76 -0.72 0.00 -0.73 -5.06 105.19 103.02 3d5b n GLY 81 Ca 0.04 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3d5b n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d5b s ILE 82 N -2.00 4.52 0.00 -0.61 -1.09 -0.06 -4.92 121.20 117.05 3d5b s ILE 82 Ca 0.00 1.71 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 3d5b s ILE 82 Cb 0.00 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3d5b s ILE 82 CO 0.00 0.44 0.00 1.17 -1.23 0.00 0.00 174.94 175.32 3d5b n LYS 83 N 2.17 3.89 -1.58 2.79 4.81 -1.26 -3.73 118.16 125.25 3d5b n LYS 83 Ca -0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.02 3d5b n LYS 83 Cb 0.49 -0.32 -0.03 0.00 0.02 0.00 0.00 35.03 35.19 3d5b n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3d5b s GLN 84 N 0.00 2.47 -0.03 1.64 2.00 -1.26 -4.81 119.66 119.66 3d5b s GLN 84 Ca 0.00 1.63 -0.01 0.00 -2.00 0.00 0.00 55.36 54.98 3d5b s GLN 84 Cb 0.00 -4.51 -0.01 0.00 0.80 0.00 0.00 33.01 29.29 3d5b s GLN 84 CO 0.00 -2.86 2.20 0.28 -0.50 0.00 0.00 175.29 174.41 3d5b n VAL 85 N 7.92 2.19 -1.59 1.34 0.31 -1.26 -4.81 118.33 122.44 3d5b n VAL 85 Ca 0.34 -0.74 -0.34 0.00 -0.01 0.00 0.00 64.34 63.60 3d5b n VAL 85 Cb 0.51 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 3d5b n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5b s ALA 86 N -0.05 1.55 0.31 3.52 0.00 -1.22 -4.91 121.76 120.96 3d5b s ALA 86 Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 3d5b s ALA 86 Cb 0.06 -4.37 -0.09 0.00 0.00 0.00 0.00 23.12 18.72 3d5b s ALA 86 CO -0.00 -4.61 0.77 0.12 0.00 0.00 0.00 175.76 172.04 3d5b s PHE 87 N 12.36 3.45 -0.41 0.00 5.36 -1.26 -1.00 117.98 136.47 3d5b s PHE 87 Ca 0.95 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 58.29 3d5b s PHE 87 Cb -0.16 -2.62 0.12 0.00 -0.34 0.00 0.00 43.02 40.02 3d5b s PHE 87 CO 0.24 0.13 0.15 0.34 -1.46 0.00 0.00 175.22 174.62 3d5b s ASP 88 N -2.07 4.34 0.28 6.13 3.68 -0.83 -4.62 116.67 123.58 3d5b s ASP 88 Ca 0.52 -2.44 0.02 0.00 2.13 0.00 0.00 52.55 52.78 3d5b s ASP 88 Cb -0.12 -1.43 0.65 0.00 -1.45 0.00 0.00 42.92 40.57 3d5b s ASP 88 CO 0.18 -0.32 1.72 0.03 0.13 0.00 0.00 175.17 176.91 3d5b h ARG 89 N 7.17 0.46 -5.35 4.34 3.08 -1.92 -2.94 114.38 119.23 3d5b h ARG 89 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3d5b h ARG 89 Cb 0.96 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.84 3d5b h ARG 89 CO 0.56 0.30 -1.15 0.41 -1.07 0.00 0.00 179.97 179.03 3d5b n GLY 90 N -1.33 -3.74 0.00 0.04 0.00 -1.26 -3.59 105.19 95.31 3d5b n GLY 90 Ca 0.20 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.27 3d5b n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5b n PRO 91 N 1.58 0.00 -4.11 1.61 -0.02 -1.26 -4.83 135.00 127.96 3d5b n PRO 91 Ca -0.22 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.12 3d5b n PRO 91 Cb 0.38 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.74 3d5b n PRO 91 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d5b s TYR 92 N 0.00 0.74 -0.26 6.00 4.12 -1.24 -5.13 117.35 121.59 3d5b s TYR 92 Ca 0.00 -0.41 -0.24 0.00 0.02 0.00 0.00 57.07 56.44 3d5b s TYR 92 Cb 0.00 -0.44 -0.01 0.00 -1.52 0.00 0.00 41.96 39.99 3d5b s TYR 92 CO 0.00 -0.05 0.80 0.21 0.02 0.00 0.00 175.55 176.54 3d5b s LYS 93 N -1.31 4.13 -0.71 -0.62 2.47 -1.26 -4.92 119.74 117.52 3d5b s LYS 93 Ca -0.06 0.84 -0.26 0.00 -1.56 0.00 0.00 55.97 54.93 3d5b s LYS 93 Cb -0.08 -3.66 -0.13 0.00 -1.46 0.00 0.00 37.83 32.50 3d5b s LYS 93 CO 0.01 -0.54 2.42 0.98 0.16 0.00 0.00 175.35 178.37 3d5b n TYR 94 N 6.03 1.21 0.00 4.03 9.36 -1.26 -4.04 117.16 132.49 3d5b n TYR 94 Ca 0.05 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3d5b n TYR 94 Cb 0.48 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 3d5b n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3d5b n HIS 95 N 17.60 -1.99 0.00 2.98 -0.00 -1.26 -4.94 115.22 127.61 3d5b n HIS 95 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 3d5b n HIS 95 Cb 0.45 0.45 0.00 0.00 -0.12 0.00 0.00 29.99 30.77 3d5b n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d5b n GLY 96 N -1.17 0.65 0.35 1.57 0.00 -1.26 -4.75 105.19 100.59 3d5b n GLY 96 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3d5b n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d5b h ARG 97 N 0.00 -0.82 -0.35 1.61 3.08 -1.93 -2.67 114.38 113.30 3d5b h ARG 97 Ca 0.00 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.21 3d5b h ARG 97 Cb 0.00 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3d5b h ARG 97 CO 0.00 -0.50 0.54 -0.39 -1.07 0.00 0.00 179.97 178.55 3d5b h VAL 98 N -1.11 0.20 0.26 2.04 -1.51 -1.94 -0.18 116.25 114.01 3d5b h VAL 98 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 3d5b h VAL 98 Cb 0.69 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3d5b h VAL 98 CO 0.14 0.00 -0.13 0.50 -1.23 0.00 0.00 177.57 176.86 3d5b h LYS 99 N 0.00 -0.34 0.00 5.19 3.64 -1.77 -3.00 116.57 120.29 3d5b h LYS 99 Ca 0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3d5b h LYS 99 Cb 1.25 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3d5b h LYS 99 CO -0.00 -0.12 -0.06 0.00 -2.27 0.00 0.00 179.45 177.00 3d5b h ALA 100 N 0.18 1.61 -3.00 5.00 0.00 -1.01 -1.17 119.26 120.87 3d5b h ALA 100 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3d5b h ALA 100 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3d5b h ALA 100 CO 0.06 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.67 3d5b n LEU 101 N -4.04 0.00 0.10 0.00 7.99 -1.13 -0.11 117.00 119.81 3d5b n LEU 101 Ca -0.03 0.45 0.14 0.00 -0.01 0.00 0.00 56.01 56.57 3d5b n LEU 101 Cb 0.15 0.00 0.65 0.00 -0.11 0.00 0.00 43.42 44.10 3d5b n LEU 101 CO 0.31 0.00 1.14 0.00 -1.51 0.00 0.00 177.39 177.33 3d5b h ALA 102 N -2.04 2.23 -0.92 -1.18 0.00 -1.63 -1.02 119.26 114.70 3d5b h ALA 102 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d5b h ALA 102 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d5b h ALA 102 CO 0.00 -0.31 0.00 -1.91 0.00 0.00 0.00 179.25 177.03 3d5b n GLU 103 N -4.46 0.00 0.09 0.00 2.13 -0.44 -0.44 120.64 117.52 3d5b n GLU 103 Ca 0.04 0.35 0.14 0.00 0.66 0.00 0.00 57.16 58.35 3d5b n GLU 103 Cb 0.36 -1.34 0.64 0.00 0.27 0.00 0.00 31.44 31.37 3d5b n GLU 103 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3d5b h GLY 104 N 0.00 0.07 2.00 8.31 0.00 -0.44 0.20 103.07 113.21 3d5b h GLY 104 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 3d5b h GLY 104 CO 0.00 0.02 -0.73 0.00 0.00 0.00 0.00 176.54 175.83 3d5b h ALA 105 N 1.84 0.75 0.00 3.60 0.00 -1.17 -2.42 119.26 121.86 3d5b h ALA 105 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3d5b h ALA 105 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3d5b h ALA 105 CO -0.01 0.91 -1.09 0.54 0.00 0.00 0.00 179.25 179.60 3d5b n ARG 106 N -3.61 0.42 0.04 0.00 1.74 0.42 -3.87 116.66 111.79 3d5b n ARG 106 Ca -0.01 0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 3d5b n ARG 106 Cb 0.72 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 3d5b n ARG 106 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3d5b h GLU 107 N 0.00 0.62 -0.00 5.56 4.39 -0.61 -3.50 114.58 121.04 3d5b h GLU 107 Ca 0.00 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3d5b h GLU 107 Cb 0.84 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3d5b h GLU 107 CO 0.00 1.23 0.00 0.41 -1.16 0.00 0.00 179.01 179.49