#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b n VAL 3 N 0.00 0.00 -0.23 5.15 0.31 -1.26 -4.76 118.33 117.54 3d5b n VAL 3 Ca 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 64.34 64.61 3d5b n VAL 3 Cb 0.00 0.00 0.69 0.00 -0.91 0.00 0.00 33.84 33.62 3d5b n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3d5b h LYS 4 N 0.64 0.08 -6.13 5.55 -0.00 -2.03 -3.43 116.57 111.25 3d5b h LYS 4 Ca 0.00 -0.00 -0.64 0.00 -0.00 0.00 0.00 60.65 60.00 3d5b h LYS 4 Cb 0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 32.23 32.33 3d5b h LYS 4 CO 0.00 0.05 -0.46 0.00 -0.00 0.00 0.00 179.45 179.04 3d5b n MET 5 N -4.31 0.32 0.00 0.07 0.00 -1.26 -4.97 117.12 106.97 3d5b n MET 5 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 57.70 58.02 3d5b n MET 5 Cb 0.99 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.99 3d5b n MET 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 3d5b n HIS 6 N -0.24 0.00 0.00 3.17 1.44 -1.26 -5.15 115.22 113.18 3d5b n HIS 6 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3d5b n HIS 6 Cb 0.31 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.42 3d5b n HIS 6 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3d5b n VAL 7 N 0.00 0.00 -0.05 0.61 0.31 -1.26 -5.01 118.33 112.93 3d5b n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3d5b n VAL 7 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3d5b n VAL 7 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3d5b n LYS 8 N 0.00 0.89 0.00 5.55 -0.00 -1.26 -5.11 118.16 118.24 3d5b n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3d5b n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3d5b n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3d5b n LYS 9 N -0.09 0.00 -3.81 -1.58 2.85 -1.26 -5.07 118.16 109.21 3d5b n LYS 9 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3d5b n LYS 9 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 3d5b n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3d5b s GLY 10 N 0.00 2.59 0.00 2.58 0.00 -1.26 -4.73 107.32 106.50 3d5b s GLY 10 Ca 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 44.72 41.17 3d5b s GLY 10 CO 0.00 1.28 0.00 2.09 0.00 0.00 0.00 173.10 176.47 3d5b n ASP 11 N 2.18 0.12 -4.64 1.64 5.68 -1.24 -4.87 116.55 115.42 3d5b n ASP 11 Ca 0.21 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 54.09 3d5b n ASP 11 Cb 0.37 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 3d5b n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3d5b s THR 12 N -0.24 4.93 0.02 2.12 2.01 -1.26 -0.81 115.64 122.40 3d5b s THR 12 Ca 0.00 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.35 3d5b s THR 12 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3d5b s THR 12 CO 0.00 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.20 3d5b s VAL 13 N 2.50 0.28 -0.02 3.82 1.01 -0.62 -3.11 120.40 124.26 3d5b s VAL 13 Ca 0.31 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3d5b s VAL 13 Cb -0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3d5b s VAL 13 CO 0.09 -0.33 -0.02 -0.22 0.00 0.00 0.00 175.10 174.63 3d5b s LEU 14 N -1.17 3.44 -0.31 3.92 0.20 -0.22 -0.85 118.68 123.70 3d5b s LEU 14 Ca -0.10 -0.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.59 3d5b s LEU 14 Cb -0.08 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 3d5b s LEU 14 CO -0.00 0.30 0.20 -0.69 -0.29 0.00 0.00 176.35 175.87 3d5b s VAL 15 N -1.03 5.23 -0.25 1.68 1.01 0.40 -1.02 120.40 126.42 3d5b s VAL 15 Ca 0.18 -0.03 0.13 0.00 0.00 0.00 0.00 61.98 62.25 3d5b s VAL 15 Cb -0.11 -3.58 0.57 0.00 0.00 0.00 0.00 36.38 33.25 3d5b s VAL 15 CO 0.08 0.14 1.52 0.00 0.00 0.00 0.00 175.10 176.84 3d5b n ALA 16 N 5.07 3.76 -1.00 5.51 0.00 -0.67 0.42 120.51 133.60 3d5b n ALA 16 Ca -0.13 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.71 3d5b n ALA 16 Cb 0.51 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3d5b n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d5b n SER 17 N -0.66 0.00 0.00 0.00 3.41 -1.25 -4.89 113.62 110.23 3d5b n SER 17 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3d5b n SER 17 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 3d5b n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5b n GLY 18 N 4.56 0.17 0.16 5.00 0.00 -1.26 -3.96 105.19 109.85 3d5b n GLY 18 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3d5b n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5b n LYS 19 N 0.00 0.08 -2.64 1.61 5.02 -1.26 -0.64 118.16 120.33 3d5b n LYS 19 Ca 0.00 0.55 -0.09 0.00 -2.02 0.00 0.00 58.31 56.75 3d5b n LYS 19 Cb 0.00 -2.11 0.03 0.00 -0.02 0.00 0.00 35.03 32.93 3d5b n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3d5b n TYR 20 N -1.99 1.60 -2.20 2.13 4.02 -1.26 -5.04 117.16 114.41 3d5b n TYR 20 Ca -0.01 -2.55 -0.39 0.00 -0.01 0.00 0.00 57.90 54.94 3d5b n TYR 20 Cb 0.37 -0.29 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 3d5b n TYR 20 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3d5b s LYS 21 N -3.45 4.11 0.00 -0.72 -2.85 0.19 -3.32 119.74 113.70 3d5b s LYS 21 Ca 0.32 1.99 0.00 0.00 -1.00 0.00 0.00 55.97 57.28 3d5b s LYS 21 Cb 0.40 -2.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 3d5b s LYS 21 CO -0.01 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.52 3d5b n GLY 22 N 0.71 1.79 3.62 0.59 0.00 0.17 -4.98 105.19 107.09 3d5b n GLY 22 Ca 0.03 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3d5b n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5b n ARG 23 N 0.00 1.58 -4.25 1.61 1.74 -1.21 -4.54 116.66 111.60 3d5b n ARG 23 Ca 0.00 0.56 -0.30 0.00 -0.77 0.00 0.00 57.85 57.34 3d5b n ARG 23 Cb 0.00 -2.01 -0.10 0.00 -1.02 0.00 0.00 32.46 29.33 3d5b n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d5b s VAL 24 N -0.90 3.34 -0.18 1.55 1.01 -1.26 -0.45 120.40 123.50 3d5b s VAL 24 Ca 0.60 -1.27 -0.33 0.00 0.00 0.00 0.00 61.98 60.98 3d5b s VAL 24 Cb -0.68 -2.55 0.14 0.00 0.00 0.00 0.00 36.38 33.29 3d5b s VAL 24 CO 0.59 0.12 1.17 -0.83 0.00 0.00 0.00 175.10 176.15 3d5b s GLY 25 N -2.17 -0.26 -0.12 4.51 0.00 -0.03 -4.96 107.32 104.29 3d5b s GLY 25 Ca 0.21 1.73 -0.23 0.00 0.00 0.00 0.00 44.72 46.42 3d5b s GLY 25 CO 0.13 0.63 0.72 1.25 0.00 0.00 0.00 173.10 175.83 3d5b s LYS 26 N -2.19 4.36 -0.23 2.90 2.20 -1.26 -1.60 119.74 123.92 3d5b s LYS 26 Ca 0.08 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.27 3d5b s LYS 26 Cb -0.01 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3d5b s LYS 26 CO -0.05 -0.09 1.14 0.14 -0.36 0.00 0.00 175.35 176.13 3d5b s VAL 27 N 1.35 4.48 -0.16 4.02 -7.23 0.01 -4.62 120.40 118.25 3d5b s VAL 27 Ca 0.36 1.77 0.20 0.00 -1.81 0.00 0.00 61.98 62.49 3d5b s VAL 27 Cb -0.17 -4.22 -0.12 0.00 0.56 0.00 0.00 36.38 32.43 3d5b s VAL 27 CO 0.15 -0.25 0.82 2.29 -0.31 0.00 0.00 175.10 177.81 3d5b n LYS 28 N 6.60 0.62 -3.78 4.82 2.85 -0.63 -3.70 118.16 124.93 3d5b n LYS 28 Ca 0.13 0.13 -0.13 0.00 -1.05 0.00 0.00 58.31 57.39 3d5b n LYS 28 Cb 0.46 -1.77 -0.10 0.00 -0.65 0.00 0.00 35.03 32.97 3d5b n LYS 28 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3d5b s GLU 29 N -3.13 0.46 -0.14 -1.58 2.56 -1.11 -5.01 118.70 110.75 3d5b s GLU 29 Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 54.97 55.01 3d5b s GLU 29 Cb 0.09 0.21 0.06 0.00 2.00 0.00 0.00 34.13 36.50 3d5b s GLU 29 CO 0.82 -0.09 0.13 0.08 -0.56 0.00 0.00 175.26 175.63 3d5b s VAL 30 N -0.51 -0.18 -0.55 3.70 1.01 -1.26 0.10 120.40 122.71 3d5b s VAL 30 Ca -0.06 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3d5b s VAL 30 Cb -0.04 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 35.99 3d5b s VAL 30 CO 0.02 -0.10 0.54 -1.48 0.00 0.00 0.00 175.10 174.07 3d5b s LEU 31 N 2.22 6.00 0.21 3.92 2.34 0.32 -4.95 118.68 128.74 3d5b s LEU 31 Ca 0.04 -1.69 -0.08 0.00 0.06 0.00 0.00 54.13 52.45 3d5b s LEU 31 Cb -0.14 -2.23 0.28 0.00 -0.56 0.00 0.00 46.19 43.54 3d5b s LEU 31 CO -0.08 -0.90 1.78 1.55 -1.06 0.00 0.00 176.35 177.64 3d5b h PRO 32 N 8.94 0.58 -0.26 1.48 0.13 -1.96 -2.02 132.00 138.89 3d5b h PRO 32 Ca -0.30 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.83 3d5b h PRO 32 Cb 1.10 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.04 3d5b h PRO 32 CO 1.04 0.38 -0.45 0.87 -0.23 0.00 0.00 178.00 179.62 3d5b h LYS 33 N 0.60 -0.35 -0.49 0.86 1.57 -1.95 -0.24 116.57 116.57 3d5b h LYS 33 Ca 0.32 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3d5b h LYS 33 Cb 0.29 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3d5b h LYS 33 CO -0.24 -0.24 0.00 1.63 -0.57 0.00 0.00 179.45 180.04 3d5b n LYS 34 N -4.85 2.06 -3.68 3.15 5.02 -1.19 -4.94 118.16 113.73 3d5b n LYS 34 Ca -0.03 -1.23 -0.22 0.00 -2.02 0.00 0.00 58.31 54.81 3d5b n LYS 34 Cb 0.28 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3d5b n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3d5b n TYR 35 N 0.39 -2.16 -3.63 2.13 9.36 -0.10 -4.90 117.16 118.24 3d5b n TYR 35 Ca 0.11 0.83 -0.11 0.00 3.32 0.00 0.00 57.90 62.05 3d5b n TYR 35 Cb 0.40 -3.03 -0.05 0.00 -0.63 0.00 0.00 39.34 36.04 3d5b n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3d5b s ALA 36 N -3.04 -0.95 0.12 2.98 0.00 -0.96 -2.51 121.76 117.40 3d5b s ALA 36 Ca 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.06 3d5b s ALA 36 Cb -0.02 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3d5b s ALA 36 CO 0.87 -0.63 -0.13 0.14 0.00 0.00 0.00 175.76 176.01 3d5b s VAL 37 N -3.69 1.26 -0.26 0.00 -7.23 0.17 -0.52 120.40 110.14 3d5b s VAL 37 Ca 0.02 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3d5b s VAL 37 Cb 0.02 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.48 3d5b s VAL 37 CO -0.11 -0.46 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.49 3d5b s ILE 38 N -2.27 2.44 0.00 -0.62 1.01 0.28 -1.45 121.20 120.59 3d5b s ILE 38 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.34 3d5b s ILE 38 Cb -0.04 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3d5b s ILE 38 CO 0.02 0.06 0.00 0.52 0.00 0.00 0.00 174.94 175.55 3d5b n VAL 39 N 4.53 0.00 -1.22 2.92 0.31 -1.26 -1.61 118.33 122.00 3d5b n VAL 39 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3d5b n VAL 39 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3d5b n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d5b n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.61 120.64 119.74 3d5b n GLU 40 Ca 0.00 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 3d5b n GLU 40 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 3d5b n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d5b n GLY 41 N 0.00 1.79 3.54 0.62 0.00 -1.26 -4.73 105.19 105.15 3d5b n GLY 41 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3d5b n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5b n VAL 42 N 0.00 -0.04 -3.84 1.61 0.31 -1.26 -4.85 118.33 110.26 3d5b n VAL 42 Ca 0.00 -0.57 -0.30 0.00 -0.01 0.00 0.00 64.34 63.46 3d5b n VAL 42 Cb 0.00 -1.96 -0.14 0.00 -0.91 0.00 0.00 33.84 30.83 3d5b n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3d5b s ASN 43 N 10.15 4.02 0.35 4.52 0.01 -1.26 0.64 114.94 133.37 3d5b s ASN 43 Ca 1.04 -2.83 0.01 0.00 -0.71 0.00 0.00 52.86 50.37 3d5b s ASN 43 Cb -0.34 -1.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 3d5b s ASN 43 CO 0.25 -0.25 0.55 -0.63 -1.51 0.00 0.00 177.10 175.51 3d5b s ILE 44 N 0.01 4.97 -0.18 0.60 -1.09 -1.20 -4.80 121.20 119.52 3d5b s ILE 44 Ca 0.17 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 57.87 3d5b s ILE 44 Cb -0.25 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3d5b s ILE 44 CO 0.00 -0.52 0.69 -0.69 -1.23 0.00 0.00 174.94 173.19 3d5b s VAL 45 N -2.33 4.98 -0.43 2.92 1.01 -1.26 -3.16 120.40 122.13 3d5b s VAL 45 Ca 0.41 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 3d5b s VAL 45 Cb -0.10 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.32 3d5b s VAL 45 CO 0.36 0.10 0.33 -0.75 0.00 0.00 0.00 175.10 175.14 3d5b s LYS 46 N 1.89 2.97 0.20 2.72 2.20 0.02 -4.94 119.74 124.80 3d5b s LYS 46 Ca 0.32 -1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 54.72 3d5b s LYS 46 Cb -0.16 -4.03 0.15 0.00 -1.51 0.00 0.00 37.83 32.28 3d5b s LYS 46 CO 0.11 -0.85 1.65 0.87 -0.36 0.00 0.00 175.35 176.77 3d5b h LYS 47 N 8.67 0.92 -4.88 4.03 1.57 -1.85 -3.23 116.57 121.81 3d5b h LYS 47 Ca -0.27 -0.32 -0.59 0.00 -1.87 0.00 0.00 60.65 57.60 3d5b h LYS 47 Cb 1.12 -0.07 0.07 0.00 0.08 0.00 0.00 32.23 33.43 3d5b h LYS 47 CO 0.78 0.97 -0.23 0.00 -0.57 0.00 0.00 179.45 180.41 3d5b n ALA 48 N -2.49 -2.75 0.23 3.86 0.00 -1.26 -4.59 120.51 113.50 3d5b n ALA 48 Ca 0.02 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 3d5b n ALA 48 Cb 0.38 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3d5b n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3d5b h VAL 49 N 1.49 0.51 0.00 0.00 2.07 -1.89 -3.41 116.25 115.01 3d5b h VAL 49 Ca -0.31 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3d5b h VAL 49 Cb 1.17 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3d5b h VAL 49 CO 0.49 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 177.01 3d5b n ARG 50 N -5.25 0.00 0.09 1.57 3.00 -1.26 -2.84 116.66 111.97 3d5b n ARG 50 Ca -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.60 3d5b n ARG 50 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.62 3d5b n ARG 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3d5b h VAL 51 N 2.39 1.46 -3.61 5.15 3.04 -1.98 -3.43 116.25 119.27 3d5b h VAL 51 Ca 0.00 -3.07 -0.70 0.00 -1.01 0.00 0.00 66.70 61.93 3d5b h VAL 51 Cb 0.00 2.89 -0.22 0.00 -2.01 0.00 0.00 31.29 31.95 3d5b h VAL 51 CO 0.00 0.88 -0.49 -0.94 -1.01 0.00 0.00 177.57 176.01 3d5b s SER 52 N -7.03 5.87 0.54 3.17 1.04 -1.26 -4.97 113.70 111.07 3d5b s SER 52 Ca -0.04 -0.74 0.36 0.00 0.48 0.00 0.00 55.95 56.01 3d5b s SER 52 Cb 0.07 -2.08 1.54 0.00 0.10 0.00 0.00 66.02 65.65 3d5b s SER 52 CO 0.87 -0.33 1.82 -0.65 0.98 0.00 0.00 173.24 175.92 3d5b h PRO 53 N 8.48 0.00 -6.63 4.02 0.11 -1.95 -3.42 132.00 132.61 3d5b h PRO 53 Ca -0.29 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.24 3d5b h PRO 53 Cb 1.13 -0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.33 3d5b h PRO 53 CO 0.67 0.00 0.51 1.17 -0.21 0.00 0.00 178.00 180.14 3d5b n LYS 54 N -4.19 1.98 -2.59 1.05 4.81 -1.26 -3.95 118.16 114.01 3d5b n LYS 54 Ca 0.25 0.70 -0.04 0.00 -0.87 0.00 0.00 58.31 58.35 3d5b n LYS 54 Cb 1.21 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 3d5b n LYS 54 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d5b n TYR 55 N 1.11 -4.23 0.00 5.64 4.02 -1.26 -4.93 117.16 117.50 3d5b n TYR 55 Ca 0.09 2.30 0.00 0.00 -0.01 0.00 0.00 57.90 60.28 3d5b n TYR 55 Cb 0.33 -3.89 0.00 0.00 -0.02 0.00 0.00 39.34 35.76 3d5b n TYR 55 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3d5b n PRO 56 N 1.35 0.00 -2.35 -0.72 -0.02 -1.25 -4.35 135.00 127.66 3d5b n PRO 56 Ca -0.29 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 3d5b n PRO 56 Cb 0.45 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.90 3d5b n PRO 56 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3d5b s GLN 57 N -1.02 4.26 -0.23 -0.52 -1.52 -1.26 -4.88 119.66 114.49 3d5b s GLN 57 Ca 0.00 1.78 -0.00 0.00 -1.95 0.00 0.00 55.36 55.18 3d5b s GLN 57 Cb 0.00 -3.71 -0.19 0.00 -0.22 0.00 0.00 33.01 28.89 3d5b s GLN 57 CO 0.00 -0.64 -0.09 0.41 -0.25 0.00 0.00 175.29 174.72 3d5b n GLY 58 N 3.62 -0.41 0.00 3.09 0.00 -1.13 -5.08 105.19 105.28 3d5b n GLY 58 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3d5b n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5b n GLY 59 N 2.18 4.00 1.40 -0.02 0.00 -1.20 -4.84 105.19 106.71 3d5b n GLY 59 Ca -0.43 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 3d5b n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d5b n PHE 60 N -0.17 0.56 -1.94 1.61 7.35 -1.26 -4.67 117.46 118.94 3d5b n PHE 60 Ca 0.00 -1.01 -0.41 0.00 -0.76 0.00 0.00 57.45 55.27 3d5b n PHE 60 Cb 0.00 -0.50 -0.02 0.00 0.35 0.00 0.00 39.48 39.31 3d5b n PHE 60 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3d5b s ILE 61 N -0.71 2.43 -0.86 -2.13 -4.36 -1.22 -4.46 121.20 109.89 3d5b s ILE 61 Ca 0.11 0.38 -0.02 0.00 -0.26 0.00 0.00 60.65 60.86 3d5b s ILE 61 Cb 0.09 -3.25 0.30 0.00 1.25 0.00 0.00 42.46 40.85 3d5b s ILE 61 CO 0.01 0.07 2.09 -1.84 0.24 0.00 0.00 174.94 175.51 3d5b n GLU 62 N 1.61 3.41 -1.02 0.37 0.28 -1.26 -0.80 120.64 123.23 3d5b n GLU 62 Ca 0.04 -3.65 -0.29 0.00 -0.16 0.00 0.00 57.16 53.11 3d5b n GLU 62 Cb 0.40 -2.32 0.19 0.00 1.43 0.00 0.00 31.44 31.14 3d5b n GLU 62 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3d5b s LYS 63 N -3.74 0.20 0.40 3.44 -2.85 -1.19 -4.12 119.74 111.88 3d5b s LYS 63 Ca 0.50 0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 55.85 3d5b s LYS 63 Cb 0.37 -1.70 -0.10 0.00 -2.06 0.00 0.00 37.83 34.33 3d5b s LYS 63 CO -0.32 -2.92 1.30 0.39 0.10 0.00 0.00 175.35 173.90 3d5b n GLU 64 N -4.32 2.05 -4.33 1.78 4.71 -1.26 -3.25 120.64 116.00 3d5b n GLU 64 Ca 0.05 0.72 -0.29 0.00 -0.01 0.00 0.00 57.16 57.63 3d5b n GLU 64 Cb 0.56 -2.40 -0.12 0.00 -1.01 0.00 0.00 31.44 28.47 3d5b n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d5b s ALA 65 N -1.17 2.59 0.57 0.62 0.00 0.21 -4.89 121.76 119.69 3d5b s ALA 65 Ca 0.59 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 3d5b s ALA 65 Cb -0.52 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3d5b s ALA 65 CO 0.59 0.58 1.07 -2.30 0.00 0.00 0.00 175.76 175.70 3d5b n PRO 66 N 0.84 1.13 -3.77 0.00 -0.02 -1.26 -4.66 135.00 127.26 3d5b n PRO 66 Ca -0.16 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3d5b n PRO 66 Cb 0.53 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.61 3d5b n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3d5b s LEU 67 N -2.26 0.90 0.08 2.45 2.96 -0.53 -4.96 118.68 117.32 3d5b s LEU 67 Ca 0.74 0.32 -0.37 0.00 -0.22 0.00 0.00 54.13 54.60 3d5b s LEU 67 Cb -0.43 0.43 -0.17 0.00 0.50 0.00 0.00 46.19 46.52 3d5b s LEU 67 CO 0.48 -0.12 1.34 1.57 -1.32 0.00 0.00 176.35 178.30 3d5b n HIS 68 N 3.87 1.51 1.26 5.38 -0.00 -1.26 0.47 115.22 126.44 3d5b n HIS 68 Ca -0.22 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 3d5b n HIS 68 Cb 0.54 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.20 3d5b n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3d5b n ALA 69 N 2.55 2.18 -0.02 1.57 0.00 -1.04 -2.53 120.51 123.21 3d5b n ALA 69 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 3d5b n ALA 69 Cb 0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 3d5b n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3d5b n SER 70 N -0.35 0.43 0.04 0.00 2.88 -1.26 -4.35 113.62 111.01 3d5b n SER 70 Ca 0.00 0.19 0.11 0.00 -1.33 0.00 0.00 58.87 57.85 3d5b n SER 70 Cb 0.04 0.73 0.04 0.00 -0.75 0.00 0.00 64.21 64.27 3d5b n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3d5b n LYS 71 N -2.75 0.37 -3.16 -1.46 5.02 -1.05 -4.87 118.16 110.25 3d5b n LYS 71 Ca -0.17 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 3d5b n LYS 71 Cb 0.92 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3d5b n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3d5b s VAL 72 N -3.24 4.67 -0.02 -0.18 -7.23 -1.25 -1.67 120.40 111.48 3d5b s VAL 72 Ca 0.03 1.03 0.01 0.00 -1.81 0.00 0.00 61.98 61.24 3d5b s VAL 72 Cb 0.13 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.36 3d5b s VAL 72 CO 0.79 0.01 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.43 3d5b s ARG 73 N -2.49 0.41 0.86 4.82 0.52 -0.19 -4.97 118.95 117.91 3d5b s ARG 73 Ca 0.48 -0.08 -0.11 0.00 -0.52 0.00 0.00 55.73 55.50 3d5b s ARG 73 Cb -0.13 -0.46 0.11 0.00 0.52 0.00 0.00 34.95 35.00 3d5b s ARG 73 CO 0.19 0.00 1.15 -1.25 0.02 0.00 0.00 175.30 175.41 3d5b s PRO 74 N 0.37 1.42 0.29 3.54 0.04 -1.26 -1.05 135.00 138.35 3d5b s PRO 74 Ca -0.04 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 3d5b s PRO 74 Cb -0.07 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3d5b s PRO 74 CO -0.01 -2.33 0.64 -1.50 0.04 0.00 0.00 177.00 173.84 3d5b s ILE 75 N -2.60 0.00 0.00 0.56 2.07 -1.18 -3.20 121.20 116.85 3d5b s ILE 75 Ca 0.67 -1.17 0.00 0.00 -1.41 0.00 0.00 60.65 58.74 3d5b s ILE 75 Cb -0.23 -2.24 0.00 0.00 0.13 0.00 0.00 42.46 40.12 3d5b s ILE 75 CO 0.56 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.59 3d5b h PRO 77 N 0.00 -0.06 -6.78 0.00 0.13 -1.99 -3.38 132.00 119.92 3d5b h PRO 77 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 3d5b h PRO 77 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 3d5b h PRO 77 CO 0.00 -0.04 0.40 0.00 -0.23 0.00 0.00 178.00 178.13 3d5b s ALA 78 N -6.17 3.35 -0.50 -0.56 0.00 -1.26 -5.00 121.76 111.62 3d5b s ALA 78 Ca -0.14 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 3d5b s ALA 78 Cb 0.17 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3d5b s ALA 78 CO 0.72 0.06 0.88 0.00 0.00 0.00 0.00 175.76 177.42 3d5b n GLY 80 N 5.04 -2.29 3.08 0.00 0.00 -1.26 -5.02 105.19 104.74 3d5b n GLY 80 Ca 0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3d5b n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5b s LYS 81 N -0.20 0.68 1.21 1.61 1.02 -1.20 -5.05 119.74 117.82 3d5b s LYS 81 Ca 0.00 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.13 3d5b s LYS 81 Cb 0.00 -0.60 0.29 0.00 -0.52 0.00 0.00 37.83 37.00 3d5b s LYS 81 CO 0.00 0.14 1.07 -2.14 -0.92 0.00 0.00 175.35 173.49 3d5b s PRO 82 N -1.18 -1.30 -0.13 -1.68 0.02 -1.26 -4.51 135.00 124.96 3d5b s PRO 82 Ca -0.03 0.13 -0.03 0.00 0.02 0.00 0.00 61.00 61.09 3d5b s PRO 82 Cb -0.08 -1.57 -0.03 0.00 0.02 0.00 0.00 34.50 32.84 3d5b s PRO 82 CO 0.01 -3.80 -0.03 0.99 -0.33 0.00 0.00 177.00 173.83 3d5b s THR 83 N -2.82 3.97 0.07 0.99 2.01 -1.26 -2.75 115.64 115.86 3d5b s THR 83 Ca 0.69 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.40 3d5b s THR 83 Cb -0.13 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3d5b s THR 83 CO 0.57 0.53 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.76 3d5b s ARG 84 N -0.07 0.86 -0.16 4.92 0.52 -0.18 -4.96 118.95 119.88 3d5b s ARG 84 Ca 0.02 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 3d5b s ARG 84 Cb -0.13 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.45 3d5b s ARG 84 CO 0.02 0.20 -0.19 0.14 0.02 0.00 0.00 175.30 175.50 3d5b s VAL 85 N -1.22 2.25 -0.27 3.52 -7.23 -1.26 -0.44 120.40 115.75 3d5b s VAL 85 Ca -0.01 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 3d5b s VAL 85 Cb -0.10 -1.93 0.04 0.00 0.56 0.00 0.00 36.38 34.95 3d5b s VAL 85 CO 0.02 0.53 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.70 3d5b s ARG 86 N 1.03 2.54 0.03 4.82 3.52 -0.46 -4.90 118.95 125.52 3d5b s ARG 86 Ca -0.02 -1.18 -0.31 0.00 -0.13 0.00 0.00 55.73 54.10 3d5b s ARG 86 Cb -0.14 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.09 3d5b s ARG 86 CO -0.06 -0.53 1.93 0.36 -0.81 0.00 0.00 175.30 176.19 3d5b n LYS 87 N 4.61 2.71 0.00 5.12 2.85 -1.26 -2.64 118.16 129.55 3d5b n LYS 87 Ca -0.15 0.99 0.00 0.00 -1.05 0.00 0.00 58.31 58.11 3d5b n LYS 87 Cb 0.44 -2.92 0.00 0.00 -0.65 0.00 0.00 35.03 31.91 3d5b n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3d5b n LYS 88 N 7.04 0.00 0.00 -1.58 4.76 -0.99 -4.88 118.16 122.51 3d5b n LYS 88 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3d5b n LYS 88 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 3d5b n LYS 88 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3d5b n PHE 89 N 0.00 0.00 0.00 2.13 7.35 -1.26 -4.79 117.46 120.89 3d5b n PHE 89 Ca 0.00 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3d5b n PHE 89 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3d5b n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3d5b n LEU 90 N -0.02 0.00 0.00 -2.13 -0.00 -1.26 -5.15 117.00 108.43 3d5b n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3d5b n LEU 90 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 3d5b n LEU 90 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 3d5b n GLU 91 N -0.58 3.33 -3.38 1.47 -0.58 -1.26 -5.14 120.64 114.50 3d5b n GLU 91 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 3d5b n GLU 91 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 3d5b n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3d5b s ASN 92 N 1.00 1.48 0.41 1.62 2.47 -1.26 -2.33 114.94 118.33 3d5b s ASN 92 Ca 0.00 -1.54 0.08 0.00 0.42 0.00 0.00 52.86 51.81 3d5b s ASN 92 Cb 0.00 0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 40.21 3d5b s ASN 92 CO 0.00 -0.28 0.42 -0.83 -3.72 0.00 0.00 177.10 172.68 3d5b s GLY 93 N 1.52 2.08 -0.11 1.21 0.00 -1.08 -4.90 107.32 106.04 3d5b s GLY 93 Ca 0.16 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 43.08 3d5b s GLY 93 CO -0.07 -1.65 -0.19 -1.59 0.00 0.00 0.00 173.10 169.60 3d5b s LYS 94 N -4.17 2.57 -0.04 2.90 -2.85 -1.26 -1.36 119.74 115.52 3d5b s LYS 94 Ca 0.49 -0.70 -0.03 0.00 -1.00 0.00 0.00 55.97 54.73 3d5b s LYS 94 Cb -0.05 -2.07 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 3d5b s LYS 94 CO 0.29 0.02 0.13 0.15 0.10 0.00 0.00 175.35 176.04 3d5b s LYS 95 N 0.75 3.32 0.00 1.78 1.02 0.42 -2.71 119.74 124.31 3d5b s LYS 95 Ca -0.11 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3d5b s LYS 95 Cb -0.16 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3d5b s LYS 95 CO 0.02 0.70 0.00 0.44 -0.92 0.00 0.00 175.35 175.58 3d5b n ILE 96 N 1.38 0.00 -0.32 2.17 -5.35 -0.40 -1.01 119.36 115.84 3d5b n ILE 96 Ca -0.14 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 3d5b n ILE 96 Cb 0.53 -0.97 -0.08 0.00 -1.74 0.00 0.00 39.64 37.39 3d5b n ILE 96 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3d5b n ARG 97 N -0.67 -0.33 -0.50 6.28 0.63 -1.11 -3.92 116.66 117.05 3d5b n ARG 97 Ca 0.00 1.32 0.00 0.00 -0.92 0.00 0.00 57.85 58.25 3d5b n ARG 97 Cb 0.00 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 30.97 3d5b n ARG 97 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3d5b n VAL 98 N -4.74 0.00 -3.93 5.15 3.14 -1.26 -4.95 118.33 111.74 3d5b n VAL 98 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3d5b n VAL 98 Cb 0.20 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 3d5b n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d5b s ALA 100 N -2.00 3.65 0.00 0.00 0.00 -1.26 -2.34 121.76 119.81 3d5b s ALA 100 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3d5b s ALA 100 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3d5b s ALA 100 CO 0.00 0.56 0.00 1.17 0.00 0.00 0.00 175.76 177.49