#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnr h ILE 25 N 0.00 0.18 -0.22 2.12 2.04 -2.05 -2.71 117.51 116.86 3hnr h ILE 25 Ca 0.00 -0.73 -0.16 0.00 1.00 0.00 0.00 64.86 64.98 3hnr h ILE 25 Cb 0.00 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3hnr h ILE 25 CO 0.00 0.07 -0.50 1.56 0.00 0.00 0.00 178.15 179.28 3hnr h GLN 26 N 0.00 0.61 -0.71 2.37 4.20 -2.02 -3.12 115.11 116.45 3hnr h GLN 26 Ca -0.00 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3hnr h GLN 26 Cb 0.61 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3hnr h GLN 26 CO 0.01 0.97 0.00 0.66 -0.67 0.00 0.00 178.83 179.80 3hnr n TYR 27 N -3.99 1.25 -0.27 2.96 4.02 -1.10 -4.46 117.16 115.57 3hnr n TYR 27 Ca -0.03 -0.55 0.02 0.00 -0.01 0.00 0.00 57.90 57.33 3hnr n TYR 27 Cb 0.58 -0.12 0.15 0.00 -0.02 0.00 0.00 39.34 39.93 3hnr n TYR 27 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3hnr h LYS 28 N 4.26 0.71 0.09 -0.72 1.63 -1.42 -1.77 116.57 119.35 3hnr h LYS 28 Ca 0.00 -0.04 -0.27 0.00 -0.85 0.00 0.00 60.65 59.49 3hnr h LYS 28 Cb 1.22 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 3hnr h LYS 28 CO 0.12 0.47 -1.26 1.49 -3.45 0.00 0.00 179.45 176.81 3hnr h GLU 29 N 0.73 0.18 -0.16 1.90 4.57 -1.82 -2.91 114.58 117.09 3hnr h GLU 29 Ca 0.37 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3hnr h GLU 29 Cb 0.34 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3hnr h GLU 29 CO -0.24 1.11 -0.01 0.28 -1.18 0.00 0.00 179.01 178.96 3hnr h VAL 30 N 0.05 1.11 -0.55 0.32 2.07 -1.75 -2.30 116.25 115.20 3hnr h VAL 30 Ca -0.13 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3hnr h VAL 30 Cb 1.93 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3hnr h VAL 30 CO 0.17 0.15 0.00 0.49 0.02 0.00 0.00 177.57 178.40 3hnr n PHE 31 N -4.39 0.94 -1.70 1.57 3.72 -0.70 -4.72 117.46 112.19 3hnr n PHE 31 Ca -0.01 -0.56 -0.44 0.00 -0.05 0.00 0.00 57.45 56.40 3hnr n PHE 31 Cb 0.18 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 3hnr n PHE 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hnr n ALA 32 N 0.99 1.82 -2.01 4.37 0.00 -0.87 -1.19 120.51 123.63 3hnr n ALA 32 Ca 0.21 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.87 3hnr n ALA 32 Cb 0.65 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3hnr n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hnr n HIS 33 N 2.34 -0.51 -0.29 0.00 8.25 -1.26 -4.82 115.22 118.93 3hnr n HIS 33 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.51 3hnr n HIS 33 Cb 0.33 -3.32 -0.02 0.00 1.12 0.00 0.00 29.99 28.10 3hnr n HIS 33 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hnr h TYR 34 N 0.00 -1.32 -0.63 4.41 3.20 -1.52 0.17 116.97 121.28 3hnr h TYR 34 Ca -0.40 0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.59 3hnr h TYR 34 Cb 1.25 0.69 -0.04 0.00 1.54 0.00 0.00 36.73 40.17 3hnr h TYR 34 CO 0.48 -0.41 0.39 0.93 -1.64 0.00 0.00 178.16 177.91 3hnr h GLU 35 N -0.12 0.75 -0.52 1.82 4.39 -1.90 -1.55 114.58 117.45 3hnr h GLU 35 Ca 0.22 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3hnr h GLU 35 Cb 0.55 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3hnr h GLU 35 CO -0.81 0.49 0.25 -0.44 -1.16 0.00 0.00 179.01 177.34 3hnr h ASP 36 N 0.77 0.64 -0.42 1.42 3.32 -1.65 -0.39 116.42 120.10 3hnr h ASP 36 Ca 0.25 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3hnr h ASP 36 Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hnr h ASP 36 CO -0.10 0.54 0.22 0.40 -1.72 0.00 0.00 179.24 178.59 3hnr h ILE 37 N 0.72 1.16 -0.33 0.35 2.04 -0.02 0.21 117.51 121.65 3hnr h ILE 37 Ca 0.18 -0.44 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 3hnr h ILE 37 Cb 0.07 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3hnr h ILE 37 CO -0.03 0.17 -0.28 -0.07 0.00 0.00 0.00 178.15 177.95 3hnr h LEU 38 N 0.55 0.69 0.04 1.44 3.38 -0.86 -2.47 115.31 118.07 3hnr h LEU 38 Ca 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hnr h LEU 38 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hnr h LEU 38 CO -0.02 0.93 -0.05 -0.08 0.09 0.00 0.00 178.44 179.31 3hnr h GLU 39 N 0.58 -0.10 -0.63 1.13 4.57 -0.66 0.22 114.58 119.68 3hnr h GLU 39 Ca 0.07 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3hnr h GLU 39 Cb 0.77 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 3hnr h GLU 39 CO 0.06 -0.07 0.37 0.22 -1.18 0.00 0.00 179.01 178.41 3hnr h ASP 40 N -0.11 0.57 -0.50 1.04 1.82 -0.42 -0.03 116.42 118.79 3hnr h ASP 40 Ca 0.01 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.61 3hnr h ASP 40 Cb 0.11 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 3hnr h ASP 40 CO -0.02 0.39 0.09 0.58 -1.61 0.00 0.00 179.24 178.67 3hnr h VAL 41 N 0.70 1.25 -0.13 2.25 2.07 -1.19 -3.00 116.25 118.20 3hnr h VAL 41 Ca 0.27 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3hnr h VAL 41 Cb 0.10 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hnr h VAL 41 CO -0.14 0.32 0.03 0.58 0.02 0.00 0.00 177.57 178.38 3hnr h VAL 42 N 0.69 0.96 0.00 2.57 2.07 -0.35 -2.66 116.25 119.53 3hnr h VAL 42 Ca 0.15 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3hnr h VAL 42 Cb 0.37 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hnr h VAL 42 CO 0.01 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.20 3hnr n ASN 43 N -5.07 0.42 -0.95 0.57 5.03 -0.08 -1.84 115.26 113.34 3hnr n ASN 43 Ca -0.04 0.67 0.08 0.00 0.87 0.00 0.00 54.58 56.15 3hnr n ASN 43 Cb 0.06 -0.73 0.23 0.00 -1.02 0.00 0.00 39.78 38.31 3hnr n ASN 43 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hnr n LYS 44 N -2.03 2.86 -4.41 3.52 5.02 -1.01 -4.99 118.16 117.13 3hnr n LYS 44 Ca -0.00 -2.33 -0.30 0.00 -2.02 0.00 0.00 58.31 53.66 3hnr n LYS 44 Cb 0.07 -1.42 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 3hnr n LYS 44 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hnr s SER 45 N -1.02 3.89 0.11 4.39 1.04 -0.77 -4.95 113.70 116.39 3hnr s SER 45 Ca 0.34 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 3hnr s SER 45 Cb 0.18 -0.58 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 3hnr s SER 45 CO 0.22 0.20 0.13 0.72 0.98 0.00 0.00 173.24 175.49 3hnr s PHE 46 N -1.08 0.48 0.00 5.02 -0.12 -1.26 -5.02 117.98 116.00 3hnr s PHE 46 Ca 0.17 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 3hnr s PHE 46 Cb -0.11 -0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 3hnr s PHE 46 CO 0.09 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.13 3hnr n GLY 47 N -0.07 2.62 3.64 1.99 0.00 -1.26 -4.08 105.19 108.03 3hnr n GLY 47 Ca -0.10 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3hnr n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hnr s ASN 48 N -4.00 6.74 -0.20 1.61 0.01 -1.26 -3.56 114.94 114.28 3hnr s ASN 48 Ca 0.00 1.32 -0.09 0.00 -0.71 0.00 0.00 52.86 53.38 3hnr s ASN 48 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3hnr s ASN 48 CO 0.00 -1.00 0.10 -0.69 -1.51 0.00 0.00 177.10 173.99 3hnr s VAL 49 N 4.16 5.00 -0.37 1.60 1.01 0.15 -1.57 120.40 130.38 3hnr s VAL 49 Ca 0.56 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 3hnr s VAL 49 Cb -0.18 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 32.96 3hnr s VAL 49 CO 0.21 0.43 0.18 -0.22 0.00 0.00 0.00 175.10 175.70 3hnr s LEU 50 N 0.56 4.67 -0.21 3.92 2.96 -0.47 -0.82 118.68 129.29 3hnr s LEU 50 Ca 0.05 -1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 3hnr s LEU 50 Cb -0.12 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 3hnr s LEU 50 CO 0.01 -0.39 0.12 -0.70 -1.32 0.00 0.00 176.35 174.07 3hnr s GLU 51 N 1.49 4.11 -0.11 1.98 2.12 -0.31 -0.60 118.70 127.38 3hnr s GLU 51 Ca 0.01 -0.26 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 3hnr s GLU 51 Cb -0.20 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3hnr s GLU 51 CO 0.05 0.23 0.06 -0.06 -0.54 0.00 0.00 175.26 175.00 3hnr s PHE 52 N 0.54 3.34 -0.56 5.30 0.08 0.35 -1.35 117.98 125.69 3hnr s PHE 52 Ca 0.07 0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 3hnr s PHE 52 Cb -0.12 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 3hnr s PHE 52 CO 0.00 0.56 0.47 0.41 -0.10 0.00 0.00 175.22 176.56 3hnr n GLY 53 N 2.17 0.02 0.35 4.36 0.00 -0.22 -4.41 105.19 107.47 3hnr n GLY 53 Ca -0.19 -0.11 0.18 0.00 0.00 0.00 0.00 46.02 45.89 3hnr n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hnr h VAL 54 N -0.81 0.61 0.00 1.61 2.07 -1.67 -3.44 116.25 114.61 3hnr h VAL 54 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3hnr h VAL 54 Cb 1.16 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3hnr h VAL 54 CO 0.23 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.43 3hnr n GLY 55 N -1.52 3.29 0.73 2.17 0.00 -1.26 -0.16 105.19 108.44 3hnr n GLY 55 Ca 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3hnr n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hnr n THR 56 N 0.00 0.62 -0.97 2.61 -2.24 -1.26 -4.32 114.28 108.72 3hnr n THR 56 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3hnr n THR 56 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3hnr n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hnr n GLY 57 N 0.88 0.42 0.17 3.38 0.00 0.77 -4.09 105.19 106.71 3hnr n GLY 57 Ca 0.12 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 3hnr n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hnr h ASN 58 N 0.00 0.47 -0.29 1.61 2.35 -1.91 -0.88 115.58 116.92 3hnr h ASN 58 Ca 0.00 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 3hnr h ASN 58 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3hnr h ASN 58 CO 0.00 0.48 0.03 0.25 -1.65 0.00 0.00 177.43 176.54 3hnr h LEU 59 N 0.43 0.48 -0.42 1.61 5.85 -1.94 -2.99 115.31 118.33 3hnr h LEU 59 Ca 0.12 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3hnr h LEU 59 Cb 0.14 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3hnr h LEU 59 CO -0.01 0.64 0.03 0.74 -0.34 0.00 0.00 178.44 179.50 3hnr h THR 60 N 0.31 0.71 -0.57 1.05 2.02 -1.86 -0.65 112.91 113.92 3hnr h THR 60 Ca 0.09 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.33 3hnr h THR 60 Cb 0.38 0.56 -0.11 0.00 -1.74 0.00 0.00 68.15 67.24 3hnr h THR 60 CO 0.01 0.03 -0.17 -1.13 0.37 0.00 0.00 175.52 174.62 3hnr h ASN 61 N 0.14 -0.62 0.63 4.18 -1.24 -1.02 0.91 115.58 118.57 3hnr h ASN 61 Ca 0.21 0.18 -0.12 0.00 0.71 0.00 0.00 56.30 57.28 3hnr h ASN 61 Cb 0.28 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 3hnr h ASN 61 CO -0.32 -0.21 -0.56 0.11 -1.29 0.00 0.00 177.43 175.16 3hnr h LYS 62 N -0.03 0.00 -0.48 6.67 1.57 -1.33 -0.69 116.57 122.28 3hnr h LYS 62 Ca 0.27 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3hnr h LYS 62 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3hnr h LYS 62 CO -0.60 0.56 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.55 3hnr h LEU 63 N 0.00 1.01 -0.15 2.94 3.38 0.82 -1.58 115.31 121.73 3hnr h LEU 63 Ca -0.01 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3hnr h LEU 63 Cb 1.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hnr h LEU 63 CO 0.07 1.18 -0.28 -0.07 0.09 0.00 0.00 178.44 179.43 3hnr h LEU 64 N 0.85 0.51 -1.40 1.67 3.38 0.88 -1.62 115.31 119.59 3hnr h LEU 64 Ca 0.11 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.67 3hnr h LEU 64 Cb 0.79 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3hnr h LEU 64 CO 0.07 0.96 0.55 -0.07 0.09 0.00 0.00 178.44 180.03 3hnr h LEU 65 N 0.07 0.56 -0.06 1.67 3.38 -1.03 0.37 115.31 120.27 3hnr h LEU 65 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hnr h LEU 65 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hnr h LEU 65 CO 0.06 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3hnr n ALA 66 N -2.47 2.47 -2.55 1.53 0.00 -0.60 -4.87 120.51 114.03 3hnr n ALA 66 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 3hnr n ALA 66 Cb 0.48 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.94 3hnr n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hnr n GLY 67 N 0.45 -0.27 3.92 0.00 0.00 0.13 -5.00 105.19 104.42 3hnr n GLY 67 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3hnr n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hnr s ARG 68 N -5.08 3.57 -0.25 1.61 1.81 -0.62 -5.04 118.95 114.95 3hnr s ARG 68 Ca 0.11 -0.16 -0.17 0.00 -1.72 0.00 0.00 55.73 53.79 3hnr s ARG 68 Cb -0.05 -2.70 -0.03 0.00 -0.45 0.00 0.00 34.95 31.73 3hnr s ARG 68 CO 0.13 0.24 0.45 0.99 -0.68 0.00 0.00 175.30 176.43 3hnr s THR 69 N -2.10 5.13 0.02 0.02 2.01 -1.23 -4.59 115.64 114.91 3hnr s THR 69 Ca 0.42 0.75 0.08 0.00 0.31 0.00 0.00 61.69 63.24 3hnr s THR 69 Cb -0.10 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 3hnr s THR 69 CO 0.31 0.15 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.48 3hnr s VAL 70 N 1.99 1.80 -0.12 3.82 1.01 -1.26 0.33 120.40 127.98 3hnr s VAL 70 Ca 0.19 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3hnr s VAL 70 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.71 3hnr s VAL 70 CO 0.09 0.34 -0.14 -0.31 0.00 0.00 0.00 175.10 175.08 3hnr s TYR 71 N -0.71 1.92 0.17 5.22 2.02 0.00 -4.71 117.35 121.27 3hnr s TYR 71 Ca 0.09 -0.95 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 3hnr s TYR 71 Cb -0.09 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3hnr s TYR 71 CO 0.01 -0.52 0.35 0.20 -1.57 0.00 0.00 175.55 174.02 3hnr s GLY 72 N 1.18 1.83 -0.02 0.71 0.00 -0.68 -1.16 107.32 109.17 3hnr s GLY 72 Ca -0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 3hnr s GLY 72 CO -0.04 -0.84 0.04 -0.42 0.00 0.00 0.00 173.10 171.84 3hnr s ILE 73 N -1.79 -0.06 -0.30 0.90 -1.09 -0.45 -2.28 121.20 116.12 3hnr s ILE 73 Ca 0.37 0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.89 3hnr s ILE 73 Cb -0.11 -0.09 0.14 0.00 -1.58 0.00 0.00 42.46 40.82 3hnr s ILE 73 CO 0.29 0.09 0.82 -0.70 -1.23 0.00 0.00 174.94 174.21 3hnr s GLU 74 N 1.13 0.45 0.17 2.79 2.56 -0.99 -1.05 118.70 123.77 3hnr s GLU 74 Ca -0.08 1.08 -0.05 0.00 0.00 0.00 0.00 54.97 55.91 3hnr s GLU 74 Cb -0.13 0.58 0.06 0.00 2.00 0.00 0.00 34.13 36.64 3hnr s GLU 74 CO -0.03 -0.15 1.48 -1.00 -0.56 0.00 0.00 175.26 175.00 3hnr h PRO 75 N 7.57 0.64 -6.20 4.30 0.13 -1.60 -3.37 132.00 133.47 3hnr h PRO 75 Ca -0.19 -0.40 -0.56 0.00 -0.87 0.00 0.00 66.00 63.98 3hnr h PRO 75 Cb 1.12 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3hnr h PRO 75 CO 0.10 1.02 0.90 0.45 -0.23 0.00 0.00 178.00 180.24 3hnr s SER 76 N -6.93 6.91 0.22 1.44 0.15 -1.26 -4.90 113.70 109.33 3hnr s SER 76 Ca -0.08 1.81 -0.01 0.00 0.70 0.00 0.00 55.95 58.37 3hnr s SER 76 Cb 0.11 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 62.09 3hnr s SER 76 CO 0.85 -0.76 1.58 -0.09 1.20 0.00 0.00 173.24 176.03 3hnr h ARG 77 N 8.27 0.56 -0.98 5.44 2.43 -1.98 -1.47 114.38 126.65 3hnr h ARG 77 Ca -0.30 -0.29 0.10 0.00 -0.81 0.00 0.00 59.98 58.68 3hnr h ARG 77 Cb 1.13 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 3hnr h ARG 77 CO 0.95 0.88 0.61 1.49 -1.51 0.00 0.00 179.97 182.39 3hnr h GLU 78 N 0.46 0.99 0.01 0.20 4.81 -1.99 -1.92 114.58 117.14 3hnr h GLU 78 Ca 0.04 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3hnr h GLU 78 Cb 0.92 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 30.09 3hnr h GLU 78 CO 0.08 0.65 -0.33 0.52 -0.73 0.00 0.00 179.01 179.20 3hnr h MET 79 N 1.02 0.20 -0.45 1.92 2.86 -1.80 -3.24 114.93 115.44 3hnr h MET 79 Ca 0.47 -0.24 0.13 0.00 -2.06 0.00 0.00 59.70 58.00 3hnr h MET 79 Cb 0.38 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3hnr h MET 79 CO -0.24 0.98 0.44 0.00 1.06 0.00 0.00 176.91 179.15 3hnr h ARG 80 N -0.47 0.00 0.40 1.72 3.08 -0.92 -2.00 114.38 116.20 3hnr h ARG 80 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hnr h ARG 80 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hnr h ARG 80 CO 0.06 0.00 -0.19 0.52 -1.07 0.00 0.00 179.97 179.29 3hnr h MET 81 N 0.00 -0.52 -0.97 0.04 2.86 -1.39 -2.04 114.93 112.91 3hnr h MET 81 Ca 0.22 0.04 0.21 0.00 -2.06 0.00 0.00 59.70 58.10 3hnr h MET 81 Cb 1.09 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.78 3hnr h MET 81 CO -0.00 -0.29 0.62 0.82 1.06 0.00 0.00 176.91 179.11 3hnr h ILE 82 N -1.10 0.66 -0.19 -1.22 2.04 -1.42 -0.46 117.51 115.82 3hnr h ILE 82 Ca -0.06 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3hnr h ILE 82 Cb 0.47 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3hnr h ILE 82 CO 0.09 0.10 -0.24 0.00 0.00 0.00 0.00 178.15 178.10 3hnr h ALA 83 N 1.62 0.28 0.00 1.87 0.00 -1.44 -2.31 119.26 119.28 3hnr h ALA 83 Ca 0.54 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hnr h ALA 83 Cb 1.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hnr h ALA 83 CO -0.28 0.25 -0.01 -0.22 0.00 0.00 0.00 179.25 179.00 3hnr h LYS 84 N 0.15 0.00 0.00 0.00 1.63 -0.38 0.23 116.57 118.20 3hnr h LYS 84 Ca 0.02 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 3hnr h LYS 84 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 3hnr h LYS 84 CO 0.06 0.01 -0.18 1.49 -3.45 0.00 0.00 179.45 177.38 3hnr h GLU 85 N 0.00 0.12 0.16 1.90 4.57 -0.74 -3.37 114.58 117.22 3hnr h GLU 85 Ca -0.00 -0.13 -0.30 0.00 -1.18 0.00 0.00 59.36 57.75 3hnr h GLU 85 Cb 0.06 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3hnr h GLU 85 CO 0.00 0.89 -1.40 0.87 -1.18 0.00 0.00 179.01 178.19 3hnr h LYS 86 N -0.61 0.35 -7.14 1.92 1.57 -0.88 -3.47 116.57 108.31 3hnr h LYS 86 Ca -0.02 -0.59 -0.49 0.00 -1.87 0.00 0.00 60.65 57.68 3hnr h LYS 86 Cb 0.95 0.22 0.03 0.00 0.08 0.00 0.00 32.23 33.51 3hnr h LYS 86 CO 0.03 1.26 0.30 -0.51 -0.57 0.00 0.00 179.45 179.96 3hnr s LEU 87 N -7.23 3.53 0.89 2.94 1.43 0.75 -5.03 118.68 115.96 3hnr s LEU 87 Ca -0.07 1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 54.24 3hnr s LEU 87 Cb 0.06 -4.30 0.06 0.00 0.03 0.00 0.00 46.19 42.04 3hnr s LEU 87 CO 0.89 -0.64 0.73 -2.65 0.23 0.00 0.00 176.35 174.90 3hnr n PRO 88 N -2.03 -0.19 -1.38 1.29 -0.02 -1.26 -4.80 135.00 126.61 3hnr n PRO 88 Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 3hnr n PRO 88 Cb 0.54 -2.07 0.19 0.00 -0.02 0.00 0.00 33.50 32.13 3hnr n PRO 88 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hnr s LYS 89 N -3.85 0.15 0.00 -0.52 3.01 -1.26 -3.30 119.74 113.96 3hnr s LYS 89 Ca 0.63 0.10 0.00 0.00 -1.01 0.00 0.00 55.97 55.69 3hnr s LYS 89 Cb -0.24 -1.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 3hnr s LYS 89 CO 0.61 -2.83 0.00 0.39 0.51 0.00 0.00 175.35 174.04 3hnr n GLU 90 N -4.17 0.00 -1.68 1.68 1.02 -1.26 -4.96 120.64 111.27 3hnr n GLU 90 Ca 0.10 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.78 3hnr n GLU 90 Cb 0.59 -0.51 -0.04 0.00 -0.02 0.00 0.00 31.44 31.46 3hnr n GLU 90 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hnr n PHE 91 N -1.02 2.42 -2.91 -0.32 7.35 -1.21 -4.92 117.46 116.84 3hnr n PHE 91 Ca 0.00 0.02 -0.40 0.00 -0.76 0.00 0.00 57.45 56.31 3hnr n PHE 91 Cb 0.00 -2.65 -0.05 0.00 0.35 0.00 0.00 39.48 37.13 3hnr n PHE 91 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3hnr s SER 92 N 2.64 7.25 -0.29 -2.13 1.04 -1.26 -5.03 113.70 115.92 3hnr s SER 92 Ca 0.85 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.81 3hnr s SER 92 Cb -0.61 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.19 3hnr s SER 92 CO 0.42 -0.05 0.46 -0.51 0.98 0.00 0.00 173.24 174.54 3hnr s ILE 93 N 0.21 -0.74 0.63 -1.02 2.07 -1.26 -1.69 121.20 119.39 3hnr s ILE 93 Ca 0.42 -0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.37 3hnr s ILE 93 Cb -0.21 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.40 3hnr s ILE 93 CO 0.24 -0.19 1.00 0.42 -1.91 0.00 0.00 174.94 174.51 3hnr s THR 94 N 2.63 3.97 -1.84 4.00 -4.23 -0.97 -4.92 115.64 114.28 3hnr s THR 94 Ca 0.10 0.43 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 3hnr s THR 94 Cb -0.12 -3.61 0.18 0.00 1.34 0.00 0.00 72.50 70.30 3hnr s THR 94 CO -0.28 -0.74 1.11 1.21 -0.54 0.00 0.00 174.62 175.38 3hnr n GLU 95 N -2.77 1.54 0.00 3.99 2.13 -1.26 -2.34 120.64 121.94 3hnr n GLU 95 Ca 0.05 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 57.14 3hnr n GLU 95 Cb 0.56 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 31.05 3hnr n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hnr n GLY 96 N 0.73 -2.71 3.62 8.31 0.00 -1.26 -3.99 105.19 109.89 3hnr n GLY 96 Ca 0.07 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3hnr n GLY 96 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hnr s ASP 97 N -1.67 0.53 0.35 1.61 1.47 0.16 -2.37 116.67 116.75 3hnr s ASP 97 Ca 0.00 -1.32 0.15 0.00 1.18 0.00 0.00 52.55 52.56 3hnr s ASP 97 Cb 0.00 0.73 1.14 0.00 -0.34 0.00 0.00 42.92 44.45 3hnr s ASP 97 CO 0.00 -1.44 1.62 -0.26 0.68 0.00 0.00 175.17 175.77 3hnr h PHE 98 N 2.07 0.79 0.02 2.11 0.04 -1.99 -2.87 116.94 117.11 3hnr h PHE 98 Ca -0.29 0.04 -0.37 0.00 2.80 0.00 0.00 57.97 60.14 3hnr h PHE 98 Cb 1.24 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 39.15 3hnr h PHE 98 CO 1.39 -0.31 -2.32 1.28 -0.60 0.00 0.00 178.31 177.74 3hnr n LEU 99 N -5.17 1.96 -4.12 1.54 4.77 -1.26 -4.84 117.00 109.87 3hnr n LEU 99 Ca 0.33 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 3hnr n LEU 99 Cb 1.07 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 3hnr n LEU 99 CO 0.05 0.77 -0.49 -0.44 -1.33 0.00 0.00 177.39 175.95 3hnr s SER 100 N -6.29 3.72 0.15 -1.43 0.01 -1.08 -5.05 113.70 103.73 3hnr s SER 100 Ca -0.24 -0.89 -0.25 0.00 1.31 0.00 0.00 55.95 55.89 3hnr s SER 100 Cb 0.08 -1.54 0.06 0.00 0.21 0.00 0.00 66.02 64.83 3hnr s SER 100 CO 0.71 -0.07 0.82 0.72 0.41 0.00 0.00 173.24 175.83 3hnr s PHE 101 N 1.25 -0.26 0.01 2.43 -0.12 -1.25 0.39 117.98 120.42 3hnr s PHE 101 Ca 0.00 -0.03 -0.26 0.00 -0.05 0.00 0.00 56.93 56.60 3hnr s PHE 101 Cb -0.16 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3hnr s PHE 101 CO -0.09 -0.87 0.81 -1.21 -0.05 0.00 0.00 175.22 173.81 3hnr s GLU 102 N -3.48 4.51 -0.44 1.99 2.02 -1.26 -5.02 118.70 117.02 3hnr s GLU 102 Ca 0.08 1.12 -0.25 0.00 0.02 0.00 0.00 54.97 55.95 3hnr s GLU 102 Cb -0.02 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.82 3hnr s GLU 102 CO -0.02 0.14 0.89 0.08 0.02 0.00 0.00 175.26 176.37 3hnr s VAL 103 N 0.43 4.54 0.16 2.63 1.01 -1.26 -4.96 120.40 122.95 3hnr s VAL 103 Ca 0.42 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.90 3hnr s VAL 103 Cb -0.20 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.82 3hnr s VAL 103 CO 0.23 -0.75 1.59 -0.65 0.00 0.00 0.00 175.10 175.53 3hnr h PRO 104 N 8.94 -0.29 0.00 2.72 0.11 -2.00 -3.48 132.00 138.00 3hnr h PRO 104 Ca -0.24 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3hnr h PRO 104 Cb 1.08 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hnr h PRO 104 CO 1.00 -0.20 0.00 -2.37 -0.21 0.00 0.00 178.00 176.22 3hnr n THR 105 N -5.42 0.00 -4.06 -1.15 5.66 -1.26 -5.07 114.28 102.98 3hnr n THR 105 Ca -0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 3hnr n THR 105 Cb 0.34 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.97 3hnr n THR 105 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3hnr s SER 106 N -4.00 4.25 -0.16 1.09 0.01 -1.26 -5.10 113.70 108.53 3hnr s SER 106 Ca 0.00 -1.30 -0.06 0.00 1.31 0.00 0.00 55.95 55.89 3hnr s SER 106 Cb 0.00 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 3hnr s SER 106 CO 0.00 -0.18 0.05 -0.63 0.41 0.00 0.00 173.24 172.89 3hnr s ILE 107 N 1.16 4.65 -0.19 1.44 -1.09 -1.26 -4.55 121.20 121.36 3hnr s ILE 107 Ca -0.07 -0.09 0.10 0.00 -2.23 0.00 0.00 60.65 58.36 3hnr s ILE 107 Cb -0.19 -3.07 -0.18 0.00 -1.58 0.00 0.00 42.46 37.43 3hnr s ILE 107 CO -0.06 0.49 -0.04 0.47 -1.23 0.00 0.00 174.94 174.58 3hnr n ASP 108 N 3.26 1.37 -3.73 3.58 8.00 -0.61 -4.48 116.55 123.94 3hnr n ASP 108 Ca -0.17 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.16 3hnr n ASP 108 Cb 0.53 0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 41.96 3hnr n ASP 108 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hnr s THR 109 N -2.42 -0.01 -0.19 -3.53 -1.32 -1.14 -0.70 115.64 106.33 3hnr s THR 109 Ca -0.16 0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.31 3hnr s THR 109 Cb 0.06 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 3hnr s THR 109 CO 0.62 0.02 0.01 -0.63 -2.21 0.00 0.00 174.62 172.43 3hnr s ILE 110 N 0.66 4.16 0.27 5.08 1.01 0.02 -1.36 121.20 131.03 3hnr s ILE 110 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3hnr s ILE 110 Cb -0.05 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 3hnr s ILE 110 CO -0.04 0.45 0.06 0.68 0.00 0.00 0.00 174.94 176.09 3hnr s VAL 111 N 0.71 0.85 -0.29 2.92 -7.23 0.23 -1.29 120.40 116.30 3hnr s VAL 111 Ca 0.00 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3hnr s VAL 111 Cb -0.14 -2.62 0.19 0.00 0.56 0.00 0.00 36.38 34.37 3hnr s VAL 111 CO 0.02 -0.07 1.37 -0.94 -0.31 0.00 0.00 175.10 175.16 3hnr s SER 112 N -3.36 -0.03 -0.02 4.85 1.04 -1.19 -0.49 113.70 114.49 3hnr s SER 112 Ca 0.35 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.84 3hnr s SER 112 Cb 0.08 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3hnr s SER 112 CO 0.13 -0.03 -0.07 0.42 0.98 0.00 0.00 173.24 174.67 3hnr s THR 113 N -1.10 0.64 -1.52 2.02 -4.23 -1.26 -1.52 115.64 108.68 3hnr s THR 113 Ca 0.09 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 3hnr s THR 113 Cb -0.01 -0.58 0.08 0.00 1.34 0.00 0.00 72.50 73.33 3hnr s THR 113 CO -0.08 0.21 0.82 -1.22 -0.54 0.00 0.00 174.62 173.81 3hnr n TYR 114 N 3.27 -2.03 0.00 3.99 4.01 0.03 -4.82 117.16 121.61 3hnr n TYR 114 Ca -0.18 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 3hnr n TYR 114 Cb 0.55 -3.77 0.00 0.00 -0.31 0.00 0.00 39.34 35.81 3hnr n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hnr n ALA 115 N -4.52 2.10 0.18 -0.72 0.00 -1.26 -4.89 120.51 111.41 3hnr n ALA 115 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 3hnr n ALA 115 Cb 0.56 0.04 0.60 0.00 0.00 0.00 0.00 19.45 20.65 3hnr n ALA 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hnr h PHE 116 N 0.00 0.00 0.00 0.00 3.57 -1.88 0.75 116.94 119.39 3hnr h PHE 116 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hnr h PHE 116 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hnr h PHE 116 CO 0.00 0.00 0.00 -2.39 -2.23 0.00 0.00 178.31 173.69 3hnr n HIS 117 N -3.12 0.00 1.75 0.41 1.44 -1.26 -2.45 115.22 111.98 3hnr n HIS 117 Ca 0.05 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.86 3hnr n HIS 117 Cb 0.73 -0.17 0.53 0.00 0.12 0.00 0.00 29.99 31.19 3hnr n HIS 117 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hnr n HIS 118 N -1.17 0.06 -5.16 -1.40 8.25 0.26 -1.67 115.22 114.39 3hnr n HIS 118 Ca 0.12 -0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 3hnr n HIS 118 Cb 0.13 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.08 3hnr n HIS 118 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hnr s LEU 119 N -1.63 2.22 0.96 2.41 1.02 -1.03 -4.96 118.68 117.68 3hnr s LEU 119 Ca 0.31 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 3hnr s LEU 119 Cb 0.15 -1.42 0.17 0.00 0.02 0.00 0.00 46.19 45.10 3hnr s LEU 119 CO 0.25 0.24 1.09 0.42 0.02 0.00 0.00 176.35 178.37 3hnr s THR 120 N -0.14 2.38 0.38 5.49 -4.23 -1.26 -4.65 115.64 113.61 3hnr s THR 120 Ca -0.04 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.67 3hnr s THR 120 Cb -0.14 -2.36 0.29 0.00 1.34 0.00 0.00 72.50 71.63 3hnr s THR 120 CO 0.04 -0.16 1.99 0.44 -0.54 0.00 0.00 174.62 176.38 3hnr h ASP 121 N -1.88 0.58 -0.27 3.99 3.32 -1.97 0.68 116.42 120.88 3hnr h ASP 121 Ca -0.50 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 3hnr h ASP 121 Cb 1.29 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3hnr h ASP 121 CO 0.49 0.39 -0.17 0.44 -1.72 0.00 0.00 179.24 178.67 3hnr h ASP 122 N 0.67 0.72 0.25 6.45 3.32 -2.00 -2.35 116.42 123.48 3hnr h ASP 122 Ca 0.27 -0.23 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 3hnr h ASP 122 Cb 0.21 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hnr h ASP 122 CO -0.08 0.89 -0.75 -0.33 -1.72 0.00 0.00 179.24 177.24 3hnr h GLU 123 N 0.64 0.42 -0.47 3.56 5.08 -1.66 -2.48 114.58 119.67 3hnr h GLU 123 Ca 0.10 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hnr h GLU 123 Cb 0.64 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3hnr h GLU 123 CO 0.05 1.00 0.30 0.87 -1.00 0.00 0.00 179.01 180.22 3hnr h LYS 124 N 0.28 0.63 -0.24 2.33 1.57 -0.62 0.12 116.57 120.64 3hnr h LYS 124 Ca -0.04 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 3hnr h LYS 124 Cb 1.34 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hnr h LYS 124 CO 0.13 0.43 -0.62 -0.97 -0.57 0.00 0.00 179.45 177.85 3hnr h ASN 125 N 0.64 0.93 -0.31 0.86 -1.24 -1.28 -1.45 115.58 113.73 3hnr h ASN 125 Ca 0.17 -0.53 -0.03 0.00 0.71 0.00 0.00 56.30 56.63 3hnr h ASN 125 Cb -0.05 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3hnr h ASN 125 CO -0.04 1.32 0.09 0.58 -1.29 0.00 0.00 177.43 178.10 3hnr h VAL 126 N 0.61 1.21 0.29 2.57 2.07 -0.86 -0.36 116.25 121.78 3hnr h VAL 126 Ca -0.01 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3hnr h VAL 126 Cb 1.23 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3hnr h VAL 126 CO 0.13 0.23 -0.29 0.00 0.02 0.00 0.00 177.57 177.66 3hnr h ALA 127 N 0.92 -0.61 -0.91 1.67 0.00 -0.73 -0.10 119.26 119.51 3hnr h ALA 127 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hnr h ALA 127 Cb 0.26 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3hnr h ALA 127 CO -0.00 -0.87 0.60 0.82 0.00 0.00 0.00 179.25 179.80 3hnr h ILE 128 N -0.61 1.23 -0.61 0.00 1.08 -1.23 0.35 117.51 117.72 3hnr h ILE 128 Ca -0.01 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 3hnr h ILE 128 Cb 0.56 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 3hnr h ILE 128 CO -0.06 0.22 0.34 0.00 -0.69 0.00 0.00 178.15 177.96 3hnr h ALA 129 N 1.44 1.44 -0.00 1.87 0.00 -0.71 -0.05 119.26 123.24 3hnr h ALA 129 Ca 0.33 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 3hnr h ALA 129 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3hnr h ALA 129 CO -0.07 0.46 -0.87 -0.22 0.00 0.00 0.00 179.25 178.55 3hnr h LYS 130 N 0.85 0.23 0.00 0.00 3.64 0.25 -2.63 116.57 118.90 3hnr h LYS 130 Ca 0.22 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 3hnr h LYS 130 Cb 0.02 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3hnr h LYS 130 CO -0.04 0.96 -0.71 1.88 -2.27 0.00 0.00 179.45 179.27 3hnr h TYR 131 N 0.13 0.00 -0.17 1.91 0.05 -0.58 -2.61 116.97 115.70 3hnr h TYR 131 Ca -0.05 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 3hnr h TYR 131 Cb 1.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.22 3hnr h TYR 131 CO 0.03 0.71 -0.35 1.03 -1.05 0.00 0.00 178.16 178.54 3hnr h SER 132 N 0.00 0.36 0.48 3.88 0.87 -0.97 -0.95 113.55 117.22 3hnr h SER 132 Ca -0.01 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 3hnr h SER 132 Cb 1.40 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 3hnr h SER 132 CO 0.09 0.69 -0.60 -0.61 -0.53 0.00 0.00 176.83 175.87 3hnr h GLN 133 N 0.30 0.12 0.09 2.24 -0.00 -1.20 -3.33 115.11 113.33 3hnr h GLN 133 Ca 0.04 -0.08 -0.32 0.00 -0.00 0.00 0.00 58.65 58.28 3hnr h GLN 133 Cb 0.76 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.23 3hnr h GLN 133 CO 0.06 0.68 -1.75 -0.07 0.00 0.00 0.00 178.83 177.75 3hnr h LEU 134 N 0.09 0.30-10.19 -2.39 3.38 -1.22 -3.44 115.31 101.85 3hnr h LEU 134 Ca -0.01 -0.56 -0.48 0.00 0.09 0.00 0.00 57.88 56.92 3hnr h LEU 134 Cb 1.08 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.77 3hnr h LEU 134 CO 0.09 1.49 0.38 -0.76 0.09 0.00 0.00 178.44 179.72 3hnr s LEU 135 N -6.78 3.57 0.34 1.67 1.43 -0.38 -4.80 118.68 113.72 3hnr s LEU 135 Ca -0.13 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 3hnr s LEU 135 Cb 0.07 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 3hnr s LEU 135 CO 0.82 -0.90 0.51 0.20 0.23 0.00 0.00 176.35 177.20 3hnr s ASN 136 N -2.84 6.19 0.07 2.29 -0.87 -1.26 -4.44 114.94 114.07 3hnr s ASN 136 Ca 0.62 0.26 -0.37 0.00 -1.57 0.00 0.00 52.86 51.80 3hnr s ASN 136 Cb -0.14 -1.81 -0.17 0.00 -0.02 0.00 0.00 41.25 39.11 3hnr s ASN 136 CO 0.33 -0.32 1.36 1.17 -2.57 0.00 0.00 177.10 177.07 3hnr n LYS 137 N -1.73 1.14 -0.10 -0.60 0.00 -1.24 0.15 118.16 115.79 3hnr n LYS 137 Ca -0.04 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.68 3hnr n LYS 137 Cb 0.57 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.54 3hnr n LYS 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hnr n GLY 138 N 2.60 0.98 3.77 3.14 0.00 -0.77 -4.99 105.19 109.92 3hnr n GLY 138 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3hnr n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hnr s GLY 139 N -1.82 2.66 0.20 -0.02 0.00 0.40 -4.64 107.32 104.10 3hnr s GLY 139 Ca 0.00 0.84 0.10 0.00 0.00 0.00 0.00 44.72 45.66 3hnr s GLY 139 CO 0.00 1.22 -0.19 0.54 0.00 0.00 0.00 173.10 174.67 3hnr s LYS 140 N -3.16 1.42 -0.17 2.90 1.02 0.12 0.20 119.74 122.08 3hnr s LYS 140 Ca 0.71 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 55.16 3hnr s LYS 140 Cb -0.25 -1.51 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 3hnr s LYS 140 CO 0.28 0.30 -0.10 0.42 -0.92 0.00 0.00 175.35 175.33 3hnr s ILE 141 N -2.20 1.44 -0.22 2.17 1.01 0.36 -0.80 121.20 122.95 3hnr s ILE 141 Ca 0.21 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3hnr s ILE 141 Cb -0.05 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.98 3hnr s ILE 141 CO 0.09 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 3hnr s VAL 142 N 1.51 1.76 0.01 2.92 1.01 -0.41 -0.53 120.40 126.66 3hnr s VAL 142 Ca 0.02 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.88 3hnr s VAL 142 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3hnr s VAL 142 CO -0.09 0.09 -0.23 -0.36 0.00 0.00 0.00 175.10 174.51 3hnr s PHE 143 N 1.32 2.07 -0.12 5.22 0.08 -0.86 -3.16 117.98 122.54 3hnr s PHE 143 Ca -0.04 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3hnr s PHE 143 Cb -0.17 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3hnr s PHE 143 CO -0.07 0.02 -0.18 0.00 -0.10 0.00 0.00 175.22 174.89 3hnr s ALA 144 N -0.64 2.43 -0.02 5.36 0.00 -0.58 -0.55 121.76 127.76 3hnr s ALA 144 Ca 0.09 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3hnr s ALA 144 Cb -0.09 -1.04 0.11 0.00 0.00 0.00 0.00 23.12 22.10 3hnr s ALA 144 CO 0.00 0.27 1.03 0.34 0.00 0.00 0.00 175.76 177.41 3hnr s ASP 145 N 0.33 -0.23 0.04 0.00 -1.08 -0.85 -0.79 116.67 114.09 3hnr s ASP 145 Ca -0.14 -0.10 -0.31 0.00 -0.52 0.00 0.00 52.55 51.48 3hnr s ASP 145 Cb -0.17 0.32 -0.06 0.00 -1.46 0.00 0.00 42.92 41.55 3hnr s ASP 145 CO 0.07 -0.54 1.38 -0.89 0.52 0.00 0.00 175.17 175.71 3hnr s THR 146 N -2.89 3.63 0.02 1.71 2.01 -1.26 -1.72 115.64 117.14 3hnr s THR 146 Ca 0.09 1.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.93 3hnr s THR 146 Cb -0.00 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.86 3hnr s THR 146 CO -0.05 0.03 0.55 -0.51 -0.69 0.00 0.00 174.62 173.95 3hnr s ILE 147 N 1.88 0.02 0.02 1.82 2.07 -0.81 -4.64 121.20 121.55 3hnr s ILE 147 Ca 0.63 -0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.76 3hnr s ILE 147 Cb -0.33 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 3hnr s ILE 147 CO 0.28 -0.10 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.65 3hnr s PHE 148 N -2.06 2.52 0.20 3.50 0.08 -0.11 -4.78 117.98 117.33 3hnr s PHE 148 Ca -0.07 -0.28 -0.10 0.00 0.12 0.00 0.00 56.93 56.59 3hnr s PHE 148 Cb -0.01 -1.49 0.23 0.00 -0.57 0.00 0.00 43.02 41.18 3hnr s PHE 148 CO 0.01 0.19 1.78 0.00 -0.10 0.00 0.00 175.22 177.10 3hnr h ALA 149 N 4.84 0.80 -2.80 5.36 0.00 -1.94 0.19 119.26 125.71 3hnr h ALA 149 Ca -0.47 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3hnr h ALA 149 Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hnr h ALA 149 CO 0.47 -0.06 0.12 -0.40 0.00 0.00 0.00 179.25 179.38 3hnr n ASP 150 N -4.88 -1.33 -0.09 0.00 5.68 -1.26 -4.14 116.55 110.53 3hnr n ASP 150 Ca 0.08 -2.05 -0.01 0.00 -0.50 0.00 0.00 54.79 52.31 3hnr n ASP 150 Cb 0.20 2.26 0.25 0.00 -1.14 0.00 0.00 41.12 42.68 3hnr n ASP 150 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3hnr h GLN 151 N 0.00 0.73 -0.47 0.11 5.75 -1.99 -2.68 115.11 116.56 3hnr h GLN 151 Ca -0.20 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 3hnr h GLN 151 Cb 0.78 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 3hnr h GLN 151 CO 0.26 0.65 0.08 0.22 -2.65 0.00 0.00 178.83 177.39 3hnr h ASP 152 N 0.72 0.75 -0.16 -0.69 1.82 -1.99 -1.40 116.42 115.45 3hnr h ASP 152 Ca 0.16 -0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.49 3hnr h ASP 152 Cb 0.23 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 3hnr h ASP 152 CO -0.01 0.82 -0.04 0.00 -1.61 0.00 0.00 179.24 178.40 3hnr h ALA 153 N 0.96 1.40 0.27 -0.78 0.00 -1.91 -1.61 119.26 117.60 3hnr h ALA 153 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hnr h ALA 153 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hnr h ALA 153 CO 0.01 0.42 -0.13 -0.92 0.00 0.00 0.00 179.25 178.62 3hnr h TYR 154 N 0.43 -0.34 -0.37 0.00 3.20 -1.22 -2.41 116.97 116.26 3hnr h TYR 154 Ca 0.09 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 3hnr h TYR 154 Cb 0.35 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3hnr h TYR 154 CO 0.01 -0.01 0.25 -0.44 -1.64 0.00 0.00 178.16 176.33 3hnr h ASP 155 N -0.95 0.33 0.84 -2.11 3.32 -1.25 0.13 116.42 116.73 3hnr h ASP 155 Ca -0.04 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3hnr h ASP 155 Cb 0.49 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3hnr h ASP 155 CO 0.06 0.23 -0.39 0.50 -1.72 0.00 0.00 179.24 177.91 3hnr h LYS 156 N 0.38 0.00 0.14 3.56 3.64 -1.34 -1.69 116.57 121.26 3hnr h LYS 156 Ca 0.15 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.22 3hnr h LYS 156 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hnr h LYS 156 CO -0.03 0.39 -1.48 1.15 -2.27 0.00 0.00 179.45 177.21 3hnr h THR 157 N 0.00 1.23 -0.55 1.00 2.02 -0.41 -2.46 112.91 113.74 3hnr h THR 157 Ca -0.00 -2.82 -0.08 0.00 0.77 0.00 0.00 66.41 64.27 3hnr h THR 157 Cb 0.92 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 70.14 3hnr h THR 157 CO 0.05 0.84 0.01 0.58 0.37 0.00 0.00 175.52 177.37 3hnr h VAL 158 N 0.08 1.26 0.11 3.16 2.07 -0.74 -1.97 116.25 120.22 3hnr h VAL 158 Ca -0.23 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3hnr h VAL 158 Cb 2.03 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3hnr h VAL 158 CO 0.19 0.39 -0.05 -0.08 0.02 0.00 0.00 177.57 178.03 3hnr h GLU 159 N 0.86 -0.14 -0.81 1.57 4.57 -1.37 -1.76 114.58 117.49 3hnr h GLU 159 Ca 0.16 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.53 3hnr h GLU 159 Cb 0.50 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.01 3hnr h GLU 159 CO 0.02 0.16 0.31 0.00 -1.18 0.00 0.00 179.01 178.33 3hnr h ALA 160 N 0.39 1.19 -0.65 2.92 0.00 -1.32 1.82 119.26 123.62 3hnr h ALA 160 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hnr h ALA 160 Cb 0.37 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hnr h ALA 160 CO 0.02 -0.28 0.29 0.00 0.00 0.00 0.00 179.25 179.28 3hnr h ALA 161 N 1.63 1.29 -0.08 0.00 0.00 -1.20 -0.61 119.26 120.29 3hnr h ALA 161 Ca 0.47 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3hnr h ALA 161 Cb 0.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hnr h ALA 161 CO -0.48 0.54 -0.25 0.87 0.00 0.00 0.00 179.25 179.93 3hnr h LYS 162 N 0.92 0.31 -0.80 0.00 1.57 0.77 -2.65 116.57 116.69 3hnr h LYS 162 Ca 0.22 -0.23 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hnr h LYS 162 Cb 0.13 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.37 3hnr h LYS 162 CO -0.02 0.85 -0.51 0.37 -0.57 0.00 0.00 179.45 179.57 3hnr h GLN 163 N -0.17 -0.12 0.00 3.15 5.75 0.31 -3.40 115.11 120.64 3hnr h GLN 163 Ca -0.01 0.01 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 3hnr h GLN 163 Cb 0.88 0.03 0.09 0.00 1.07 0.00 0.00 27.48 29.55 3hnr h GLN 163 CO 0.05 -0.08 0.14 0.54 -2.65 0.00 0.00 178.83 176.84 3hnr n ARG 164 N -5.35 -1.36 -0.07 1.69 1.74 -0.29 -4.91 116.66 108.11 3hnr n ARG 164 Ca 0.03 -0.97 0.03 0.00 -0.77 0.00 0.00 57.85 56.17 3hnr n ARG 164 Cb 0.32 -0.76 0.11 0.00 -1.02 0.00 0.00 32.46 31.11 3hnr n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hnr n GLY 165 N -0.29 -0.36 3.57 -0.13 0.00 -1.26 -4.79 105.19 101.93 3hnr n GLY 165 Ca 0.08 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3hnr n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hnr s PHE 166 N -1.82 1.84 -0.10 1.61 0.08 -1.00 -4.75 117.98 113.84 3hnr s PHE 166 Ca 0.12 0.64 -0.03 0.00 0.12 0.00 0.00 56.93 57.78 3hnr s PHE 166 Cb 0.06 -3.99 -0.26 0.00 -0.57 0.00 0.00 43.02 38.26 3hnr s PHE 166 CO 0.08 -1.48 0.45 0.45 -0.10 0.00 0.00 175.22 174.63 3hnr h HIS 167 N 10.65 0.39 -0.55 0.36 3.86 -1.87 -3.06 115.15 124.93 3hnr h HIS 167 Ca 0.15 -0.29 -0.10 0.00 -1.16 0.00 0.00 60.37 58.97 3hnr h HIS 167 Cb 0.98 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3hnr h HIS 167 CO 1.21 1.61 -0.05 1.96 0.86 0.00 0.00 177.93 183.52 3hnr h GLN 168 N 0.06 1.01 -0.42 2.45 7.50 -1.96 -1.82 115.11 121.93 3hnr h GLN 168 Ca -0.39 -0.35 -0.04 0.00 0.50 0.00 0.00 58.65 58.37 3hnr h GLN 168 Cb 2.03 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 29.47 3hnr h GLN 168 CO 0.09 1.03 0.10 1.25 -1.50 0.00 0.00 178.83 179.81 3hnr h LEU 169 N 0.90 0.64 -1.43 1.46 6.46 -1.94 -1.12 115.31 120.28 3hnr h LEU 169 Ca 0.15 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 3hnr h LEU 169 Cb 0.61 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 3hnr h LEU 169 CO 0.04 0.70 0.18 0.00 -0.62 0.00 0.00 178.44 178.75 3hnr h ALA 170 N 0.96 1.56 0.36 1.25 0.00 -1.41 -0.83 119.26 121.15 3hnr h ALA 170 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hnr h ALA 170 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hnr h ALA 170 CO 0.00 0.35 -0.17 -0.97 0.00 0.00 0.00 179.25 178.46 3hnr h ASN 171 N 0.57 -0.41 -0.85 0.00 -0.00 -0.98 -2.70 115.58 111.21 3hnr h ASN 171 Ca 0.14 -0.14 0.15 0.00 -0.00 0.00 0.00 56.30 56.45 3hnr h ASN 171 Cb 0.08 0.11 -0.15 0.00 -0.00 0.00 0.00 38.32 38.36 3hnr h ASN 171 CO -0.02 -0.04 -0.32 -0.78 -0.00 0.00 0.00 177.43 176.27 3hnr h ASP 172 N -0.84 -1.18 -0.05 1.15 1.82 -0.68 0.22 116.42 116.86 3hnr h ASP 172 Ca -0.05 0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.88 3hnr h ASP 172 Cb 0.53 0.65 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 3hnr h ASP 172 CO 0.08 -0.29 0.04 -0.07 -1.61 0.00 0.00 179.24 177.38 3hnr h LEU 173 N -0.04 0.00 -1.28 2.28 3.38 -1.12 -0.86 115.31 117.67 3hnr h LEU 173 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hnr h LEU 173 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hnr h LEU 173 CO -0.88 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 177.33 3hnr n GLN 174 N -4.44 1.57 -0.04 1.13 6.02 0.56 -4.61 117.38 117.57 3hnr n GLN 174 Ca -0.02 -1.27 -0.05 0.00 -0.01 0.00 0.00 57.00 55.65 3hnr n GLN 174 Cb 0.14 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3hnr n GLN 174 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hnr n THR 175 N 0.40 0.82 -0.59 5.09 -1.04 0.05 -5.01 114.28 113.99 3hnr n THR 175 Ca 0.10 0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 62.11 3hnr n THR 175 Cb 0.50 -1.91 0.20 0.00 -1.82 0.00 0.00 70.33 67.29 3hnr n THR 175 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hnr n GLU 176 N -3.54 -2.07 -3.04 -2.82 -0.58 -0.39 -4.90 120.64 103.31 3hnr n GLU 176 Ca -0.07 -0.59 -0.41 0.00 -0.42 0.00 0.00 57.16 55.67 3hnr n GLU 176 Cb 0.26 -1.77 -0.00 0.00 -0.57 0.00 0.00 31.44 29.36 3hnr n GLU 176 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hnr n TYR 177 N -4.64 2.41 -2.77 -0.32 4.01 -0.67 -4.93 117.16 110.25 3hnr n TYR 177 Ca 0.02 -2.76 -0.34 0.00 -0.16 0.00 0.00 57.90 54.66 3hnr n TYR 177 Cb 0.58 -1.16 -0.06 0.00 -0.31 0.00 0.00 39.34 38.39 3hnr n TYR 177 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3hnr s TYR 178 N -2.83 3.35 0.00 -0.72 2.02 -1.26 -4.63 117.35 113.28 3hnr s TYR 178 Ca 0.32 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.67 3hnr s TYR 178 Cb 0.07 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.73 3hnr s TYR 178 CO 0.09 -0.15 0.00 -2.37 -1.57 0.00 0.00 175.55 171.55 3hnr n THR 179 N -0.40 0.00 -4.03 -0.71 5.66 -1.26 -5.01 114.28 108.53 3hnr n THR 179 Ca 0.06 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.81 3hnr n THR 179 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 3hnr n THR 179 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3hnr s ARG 180 N -1.71 3.13 0.19 1.09 0.52 -1.26 -0.93 118.95 119.99 3hnr s ARG 180 Ca 0.00 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 3hnr s ARG 180 Cb 0.00 -2.77 0.14 0.00 0.52 0.00 0.00 34.95 32.83 3hnr s ARG 180 CO 0.00 0.49 1.82 0.82 0.02 0.00 0.00 175.30 178.45 3hnr h ILE 181 N 1.80 1.06 -0.53 1.52 2.04 -0.76 -2.64 117.51 119.99 3hnr h ILE 181 Ca -0.48 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3hnr h ILE 181 Cb 1.20 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3hnr h ILE 181 CO 0.65 0.12 0.30 -0.65 0.00 0.00 0.00 178.15 178.57 3hnr h PRO 182 N 0.68 0.72 -0.15 2.37 0.11 -1.84 0.61 132.00 134.51 3hnr h PRO 182 Ca 0.24 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3hnr h PRO 182 Cb 0.04 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3hnr h PRO 182 CO -0.11 0.52 0.00 0.28 -0.21 0.00 0.00 178.00 178.49 3hnr h VAL 183 N 0.73 1.25 -0.26 3.15 2.07 -1.90 -1.74 116.25 119.56 3hnr h VAL 183 Ca 0.19 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hnr h VAL 183 Cb 0.00 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3hnr h VAL 183 CO -0.03 0.24 0.01 -0.03 0.02 0.00 0.00 177.57 177.78 3hnr h MET 184 N 0.01 0.38 -0.13 1.57 -1.53 -1.16 -1.94 114.93 112.13 3hnr h MET 184 Ca 0.04 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3hnr h MET 184 Cb 0.37 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 3hnr h MET 184 CO 0.01 0.41 0.07 0.37 0.14 0.00 0.00 176.91 177.91 3hnr h GLN 185 N 0.37 0.18 -0.67 0.39 5.75 -0.60 -1.92 115.11 118.61 3hnr h GLN 185 Ca 0.09 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3hnr h GLN 185 Cb 0.24 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3hnr h GLN 185 CO 0.00 0.20 0.10 1.15 -2.65 0.00 0.00 178.83 177.63 3hnr h THR 186 N 0.12 1.27 0.02 2.39 2.02 -0.87 -2.56 112.91 115.30 3hnr h THR 186 Ca 0.05 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3hnr h THR 186 Cb 0.07 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3hnr h THR 186 CO -0.01 0.40 -0.01 0.40 0.37 0.00 0.00 175.52 176.67 3hnr h ILE 187 N 1.04 1.08 -0.43 3.11 2.04 -1.23 0.82 117.51 123.95 3hnr h ILE 187 Ca 0.20 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hnr h ILE 187 Cb 0.46 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3hnr h ILE 187 CO 0.02 0.08 0.25 -0.26 0.00 0.00 0.00 178.15 178.23 3hnr h PHE 188 N -0.16 0.47 -0.21 1.37 0.04 -1.33 -2.27 116.94 114.85 3hnr h PHE 188 Ca -0.00 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 3hnr h PHE 188 Cb 0.15 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3hnr h PHE 188 CO -0.03 0.27 -0.54 0.93 -0.60 0.00 0.00 178.31 178.34 3hnr h GLU 189 N 0.51 0.62 0.00 1.51 5.08 -1.41 0.16 114.58 121.04 3hnr h GLU 189 Ca 0.17 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hnr h GLU 189 Cb 0.01 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hnr h GLU 189 CO -0.08 1.00 -0.03 -0.91 -1.00 0.00 0.00 179.01 178.00 3hnr h ASN 190 N 0.48 0.00 -0.67 1.42 -0.26 -0.64 -2.21 115.58 113.70 3hnr h ASN 190 Ca 0.01 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.37 3hnr h ASN 190 Cb 1.10 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.14 3hnr h ASN 190 CO 0.11 0.03 0.18 0.59 -1.06 0.00 0.00 177.43 177.28 3hnr n ASN 191 N -3.29 3.81 -0.26 5.81 4.13 -0.87 -4.94 115.26 119.66 3hnr n ASN 191 Ca -0.02 -3.74 -0.03 0.00 1.68 0.00 0.00 54.58 52.46 3hnr n ASN 191 Cb 0.17 -0.71 -0.01 0.00 -1.54 0.00 0.00 39.78 37.68 3hnr n ASN 191 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hnr n GLY 192 N -1.06 0.64 3.55 7.41 0.00 -0.83 -4.78 105.19 110.12 3hnr n GLY 192 Ca 0.46 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3hnr n GLY 192 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hnr s PHE 193 N -2.13 2.59 -0.22 1.61 0.40 0.50 -0.47 117.98 120.27 3hnr s PHE 193 Ca 0.00 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.09 3hnr s PHE 193 Cb 0.00 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.28 3hnr s PHE 193 CO 0.00 0.50 -0.12 -1.01 0.70 0.00 0.00 175.22 175.29 3hnr s HIS 194 N -1.65 2.98 0.10 0.36 3.76 -1.00 -3.38 115.29 116.46 3hnr s HIS 194 Ca 0.24 -1.65 0.09 0.00 -0.15 0.00 0.00 55.06 53.59 3hnr s HIS 194 Cb -0.09 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 3hnr s HIS 194 CO 0.14 -0.77 -0.22 0.54 -0.85 0.00 0.00 174.74 173.59 3hnr s VAL 195 N 1.29 2.56 -0.03 -0.90 0.11 -1.26 -1.96 120.40 120.21 3hnr s VAL 195 Ca 0.01 -1.52 0.06 0.00 -2.93 0.00 0.00 61.98 57.60 3hnr s VAL 195 Cb -0.16 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.56 3hnr s VAL 195 CO -0.08 0.17 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.77 3hnr s THR 196 N -1.04 1.64 -0.15 5.04 2.01 0.32 -4.96 115.64 118.50 3hnr s THR 196 Ca 0.15 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 3hnr s THR 196 Cb -0.10 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 3hnr s THR 196 CO 0.07 0.46 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.04 3hnr s PHE 197 N -0.22 2.95 -0.11 4.92 0.40 -1.26 -0.70 117.98 123.97 3hnr s PHE 197 Ca 0.01 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 3hnr s PHE 197 Cb -0.10 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.51 3hnr s PHE 197 CO 0.01 -0.13 -0.12 0.95 0.70 0.00 0.00 175.22 176.63 3hnr s THR 198 N 0.45 1.29 -0.00 0.64 -4.23 -0.29 -4.96 115.64 108.54 3hnr s THR 198 Ca -0.05 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.66 3hnr s THR 198 Cb -0.15 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 3hnr s THR 198 CO 0.03 0.40 0.98 -0.60 -0.54 0.00 0.00 174.62 174.90 3hnr s ARG 199 N 1.23 4.56 0.00 3.99 3.52 -1.26 0.33 118.95 131.32 3hnr s ARG 199 Ca -0.03 1.42 0.06 0.00 -0.13 0.00 0.00 55.73 57.06 3hnr s ARG 199 Cb -0.14 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3hnr s ARG 199 CO -0.04 -0.05 0.58 1.28 -0.81 0.00 0.00 175.30 176.26 3hnr n LEU 200 N 3.91 1.21 -3.78 -0.88 4.32 -0.90 -4.94 117.00 115.95 3hnr n LEU 200 Ca 0.06 -0.86 0.02 0.00 -0.02 0.00 0.00 56.01 55.20 3hnr n LEU 200 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 3hnr n LEU 200 CO 0.52 0.25 1.05 0.21 -1.22 0.00 0.00 177.39 178.20 3hnr s ASN 201 N -0.82 -0.03 0.46 -1.43 2.47 -1.16 -4.82 114.94 109.61 3hnr s ASN 201 Ca 0.06 -0.20 0.12 0.00 0.42 0.00 0.00 52.86 53.25 3hnr s ASN 201 Cb 0.05 0.19 1.06 0.00 -1.45 0.00 0.00 41.25 41.10 3hnr s ASN 201 CO 0.12 -0.36 2.10 -0.74 -3.72 0.00 0.00 177.10 174.51 3hnr h HIS 202 N 2.00 0.27 0.00 0.43 -0.00 -1.95 -3.31 115.15 112.59 3hnr h HIS 202 Ca -0.27 0.01 -0.44 0.00 -0.00 0.00 0.00 60.37 59.67 3hnr h HIS 202 Cb 1.20 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 28.45 3hnr h HIS 202 CO 0.80 0.17 -2.50 1.19 -0.00 0.00 0.00 177.93 177.59 3hnr n PHE 203 N -4.50 0.04 -3.09 5.26 3.01 -1.26 -4.99 117.46 111.92 3hnr n PHE 203 Ca 0.01 0.01 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 3hnr n PHE 203 Cb 0.09 -1.00 -0.06 0.00 -0.01 0.00 0.00 39.48 38.50 3hnr n PHE 203 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hnr s VAL 204 N -2.51 4.57 0.03 -4.37 1.01 -1.25 -1.93 120.40 115.95 3hnr s VAL 204 Ca -0.37 1.26 0.02 0.00 0.00 0.00 0.00 61.98 62.88 3hnr s VAL 204 Cb 0.13 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3hnr s VAL 204 CO 0.53 0.15 -0.07 0.26 0.00 0.00 0.00 175.10 175.97 3hnr s TRP 205 N -1.59 0.58 -0.21 5.22 0.52 -0.70 -2.11 118.94 120.65 3hnr s TRP 205 Ca 0.45 -0.42 -0.07 0.00 0.02 0.00 0.00 56.10 56.08 3hnr s TRP 205 Cb -0.16 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 31.77 3hnr s TRP 205 CO 0.21 -0.08 0.06 0.08 0.02 0.00 0.00 176.95 177.24 3hnr s VAL 206 N -1.13 4.59 -0.26 4.03 1.01 0.15 -2.01 120.40 126.77 3hnr s VAL 206 Ca -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3hnr s VAL 206 Cb -0.08 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3hnr s VAL 206 CO 0.00 0.41 0.08 0.00 0.00 0.00 0.00 175.10 175.59 3hnr s MET 207 N 0.85 3.53 -0.33 2.72 0.23 0.29 -1.14 119.30 125.45 3hnr s MET 207 Ca 0.03 -0.56 -0.11 0.00 -1.03 0.00 0.00 55.69 54.02 3hnr s MET 207 Cb -0.14 -3.35 -0.01 0.00 -1.53 0.00 0.00 34.83 29.80 3hnr s MET 207 CO 0.02 -0.25 0.19 -2.00 -2.03 0.00 0.00 175.02 170.95 3hnr s GLU 208 N 1.60 3.32 -0.04 3.16 2.12 0.12 -2.04 118.70 126.94 3hnr s GLU 208 Ca 0.06 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.71 3hnr s GLU 208 Cb -0.16 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 3hnr s GLU 208 CO 0.04 -0.47 -0.25 0.00 -0.54 0.00 0.00 175.26 174.04 3hnr s ALA 209 N 1.64 2.20 -0.07 6.30 0.00 0.31 -0.52 121.76 131.61 3hnr s ALA 209 Ca 0.05 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3hnr s ALA 209 Cb -0.17 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.32 3hnr s ALA 209 CO 0.08 0.48 -0.16 0.99 0.00 0.00 0.00 175.76 177.15 3hnr s THR 210 N -0.42 1.39 0.15 0.00 2.01 -0.83 -0.49 115.64 117.45 3hnr s THR 210 Ca 0.04 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3hnr s THR 210 Cb -0.12 -1.24 -0.09 0.00 0.01 0.00 0.00 72.50 71.07 3hnr s THR 210 CO 0.01 0.41 1.47 -0.75 -0.69 0.00 0.00 174.62 175.07 3hnr s LYS 211 N 0.52 4.27 0.02 4.92 2.20 0.13 -2.39 119.74 129.42 3hnr s LYS 211 Ca -0.15 2.22 -0.05 0.00 -0.36 0.00 0.00 55.97 57.63 3hnr s LYS 211 Cb -0.16 -3.19 -0.29 0.00 -1.51 0.00 0.00 37.83 32.68 3hnr s LYS 211 CO 0.05 -0.50 0.93 1.96 -0.36 0.00 0.00 175.35 177.42 3hnr h GLN 212 N 6.61 0.29 -6.00 4.03 1.08 -1.11 -2.06 115.11 117.95 3hnr h GLN 212 Ca -0.43 -0.50 -0.60 0.00 -1.45 0.00 0.00 58.65 55.67 3hnr h GLN 212 Cb 1.21 0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 28.70 3hnr h GLN 212 CO 0.88 1.18 -0.65 -0.51 -0.95 0.00 0.00 178.83 178.78 3hnr s LEU 213 N -7.10 2.87 0.31 1.46 1.43 -1.26 -4.84 118.68 111.55 3hnr s LEU 213 Ca -0.08 -1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 3hnr s LEU 213 Cb 0.07 -1.21 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 3hnr s LEU 213 CO 0.87 -0.21 0.65 -1.83 0.23 0.00 0.00 176.35 176.06 3hnr s GLU 214 N -3.66 3.79 0.88 1.70 1.03 -1.26 -3.64 118.70 117.54 3hnr s GLU 214 Ca 0.34 0.33 -0.13 0.00 0.03 0.00 0.00 54.97 55.54 3hnr s GLU 214 Cb 0.01 -2.54 0.05 0.00 -0.80 0.00 0.00 34.13 30.85 3hnr s GLU 214 CO 0.18 0.16 0.71 1.58 -1.33 0.00 0.00 175.26 176.56 3hnr n HIS 215 N -0.72 -0.41 -0.96 4.83 -0.00 -1.26 -4.89 115.22 111.81 3hnr n HIS 215 Ca 0.01 0.31 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 3hnr n HIS 215 Cb 0.53 -1.91 0.00 0.00 -0.00 0.00 0.00 29.99 28.62 3hnr n HIS 215 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92