#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmb s VAL 2 N 0.00 5.39 -0.08 1.12 1.01 -1.26 -5.06 120.40 121.51 3hmb s VAL 2 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 3hmb s VAL 2 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3hmb s VAL 2 CO 0.00 0.16 1.07 0.21 0.00 0.00 0.00 175.10 176.54 3hmb s ASN 3 N -2.44 7.19 -0.35 3.32 3.04 -1.26 -4.93 114.94 119.50 3hmb s ASN 3 Ca 0.34 1.63 -0.07 0.00 0.04 0.00 0.00 52.86 54.80 3hmb s ASN 3 Cb -0.13 -2.56 0.04 0.00 -1.54 0.00 0.00 41.25 37.06 3hmb s ASN 3 CO 0.27 -0.49 0.13 -0.63 -3.04 0.00 0.00 177.10 173.35 3hmb s ILE 4 N 2.03 3.94 -0.17 -5.21 1.01 -1.26 -1.37 121.20 120.18 3hmb s ILE 4 Ca 0.51 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 3hmb s ILE 4 Cb -0.21 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3hmb s ILE 4 CO 0.20 -0.22 0.56 -0.63 0.00 0.00 0.00 174.94 174.85 3hmb s ILE 5 N 1.43 5.09 -0.15 2.92 1.09 0.24 -4.92 121.20 126.90 3hmb s ILE 5 Ca -0.01 1.07 -0.17 0.00 -1.10 0.00 0.00 60.65 60.44 3hmb s ILE 5 Cb -0.20 -3.89 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 3hmb s ILE 5 CO 0.03 0.20 0.43 -1.10 -0.10 0.00 0.00 174.94 174.41 3hmb s GLN 6 N 1.40 4.28 -0.42 2.79 -0.21 -1.26 -0.78 119.66 125.46 3hmb s GLN 6 Ca 0.27 0.34 0.07 0.00 0.02 0.00 0.00 55.36 56.06 3hmb s GLN 6 Cb -0.16 -3.47 0.24 0.00 1.00 0.00 0.00 33.01 30.62 3hmb s GLN 6 CO 0.11 0.10 0.58 1.63 -2.12 0.00 0.00 175.29 175.59 3hmb n LYS 7 N 3.95 0.66 -1.79 2.91 4.76 -0.07 -4.92 118.16 123.65 3hmb n LYS 7 Ca -0.08 -2.86 -0.41 0.00 -2.87 0.00 0.00 58.31 52.09 3hmb n LYS 7 Cb 0.51 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 3hmb n LYS 7 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3hmb s PHE 8 N -0.57 2.70 0.27 2.13 2.99 -1.24 -4.37 117.98 119.89 3hmb s PHE 8 Ca 0.34 0.94 -0.30 0.00 0.00 0.00 0.00 56.93 57.91 3hmb s PHE 8 Cb 0.16 -4.05 -0.11 0.00 0.00 0.00 0.00 43.02 39.03 3hmb s PHE 8 CO -0.15 -3.34 1.49 0.42 -0.00 0.00 0.00 175.22 173.64 3hmb s ILE 9 N -0.43 2.44 0.54 0.64 1.01 -0.14 -4.91 121.20 120.35 3hmb s ILE 9 Ca 0.59 0.37 -0.22 0.00 0.00 0.00 0.00 60.65 61.39 3hmb s ILE 9 Cb -0.47 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3hmb s ILE 9 CO 0.54 0.06 1.37 -2.16 0.00 0.00 0.00 174.94 174.75 3hmb s PRO 10 N -0.53 3.14 0.17 2.79 0.04 -1.26 -4.92 135.00 134.44 3hmb s PRO 10 Ca 0.60 2.26 -0.31 0.00 0.04 0.00 0.00 61.00 63.59 3hmb s PRO 10 Cb -0.44 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 3hmb s PRO 10 CO 0.46 -1.20 1.49 0.08 0.04 0.00 0.00 177.00 177.87 3hmb s VAL 11 N -1.29 2.82 0.00 -0.36 1.01 -1.26 -2.40 120.40 118.92 3hmb s VAL 11 Ca 0.71 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3hmb s VAL 11 Cb -0.41 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3hmb s VAL 11 CO 0.49 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3hmb n GLY 12 N 3.35 1.72 3.66 4.51 0.00 -1.26 -5.08 105.19 112.09 3hmb n GLY 12 Ca 0.12 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3hmb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmb n ALA 13 N 0.00 0.70 -0.35 4.61 0.00 -1.01 -4.88 120.51 119.57 3hmb n ALA 13 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.67 3hmb n ALA 13 Cb 0.00 -2.18 0.25 0.00 0.00 0.00 0.00 19.45 17.52 3hmb n ALA 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hmb h ASN 14 N 1.36 0.91 -0.17 0.00 -0.26 -1.85 -1.47 115.58 114.09 3hmb h ASN 14 Ca -0.48 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 3hmb h ASN 14 Cb 1.33 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3hmb h ASN 14 CO 0.56 0.48 0.00 -0.46 -1.06 0.00 0.00 177.43 176.95 3hmb n ASN 15 N -4.61 1.45 -3.83 5.81 6.94 -1.25 -4.35 115.26 115.42 3hmb n ASN 15 Ca 0.19 -2.09 -0.28 0.00 -0.02 0.00 0.00 54.58 52.37 3hmb n ASN 15 Cb 0.36 -0.29 -0.12 0.00 -2.36 0.00 0.00 39.78 37.37 3hmb n ASN 15 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3hmb s ARG 16 N -1.63 2.04 0.19 -3.83 3.52 -0.55 -4.59 118.95 114.10 3hmb s ARG 16 Ca 0.13 -2.90 -0.14 0.00 -0.13 0.00 0.00 55.73 52.69 3hmb s ARG 16 Cb 0.08 -3.03 0.20 0.00 -1.56 0.00 0.00 34.95 30.64 3hmb s ARG 16 CO 0.07 -1.25 1.67 -1.35 -0.81 0.00 0.00 175.30 173.63 3hmb h PRO 17 N 5.80 0.08 0.00 5.12 0.11 -1.80 -3.41 132.00 137.91 3hmb h PRO 17 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3hmb h PRO 17 Cb 0.82 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3hmb h PRO 17 CO 0.64 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3hmb n GLY 18 N -1.33 0.76 3.73 -0.55 0.00 -1.26 -5.01 105.19 101.52 3hmb n GLY 18 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hmb n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hmb s TYR 19 N -3.00 2.87 0.48 1.61 2.02 -1.26 -4.86 117.35 115.21 3hmb s TYR 19 Ca 0.00 0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 56.96 3hmb s TYR 19 Cb 0.00 -4.11 -0.08 0.00 -0.40 0.00 0.00 41.96 37.38 3hmb s TYR 19 CO 0.00 -4.05 1.23 0.00 -1.57 0.00 0.00 175.55 171.16 3hmb n ALA 20 N 3.45 1.13 -3.01 3.71 0.00 -1.26 -2.55 120.51 121.97 3hmb n ALA 20 Ca 0.13 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 3hmb n ALA 20 Cb 0.36 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 3hmb n ALA 20 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3hmb s MET 21 N -2.44 0.20 -0.47 0.00 1.75 0.42 -4.74 119.30 114.02 3hmb s MET 21 Ca 0.66 0.05 0.03 0.00 -1.25 0.00 0.00 55.69 55.18 3hmb s MET 21 Cb -0.48 0.09 0.13 0.00 2.84 0.00 0.00 34.83 37.42 3hmb s MET 21 CO 0.54 -0.03 0.25 0.15 -0.65 0.00 0.00 175.02 175.28 3hmb s LYS 22 N -0.22 1.55 0.15 4.11 1.02 -1.26 -4.45 119.74 120.63 3hmb s LYS 22 Ca -0.03 -2.24 -0.34 0.00 0.02 0.00 0.00 55.97 53.37 3hmb s LYS 22 Cb -0.02 -2.69 -0.15 0.00 -0.52 0.00 0.00 37.83 34.44 3hmb s LYS 22 CO 0.00 -1.15 1.37 -0.35 -0.92 0.00 0.00 175.35 174.31 3hmb n PRO 23 N 3.36 1.54 0.00 -1.68 -0.04 -1.26 -4.87 135.00 132.06 3hmb n PRO 23 Ca 0.08 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3hmb n PRO 23 Cb 0.34 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3hmb n PRO 23 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hmb n LYS 24 N 2.51 1.64 -4.51 0.54 5.02 0.21 -4.97 118.16 118.61 3hmb n LYS 24 Ca 0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.22 3hmb n LYS 24 Cb 0.25 -0.85 -0.11 0.00 -0.02 0.00 0.00 35.03 34.30 3hmb n LYS 24 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hmb s TYR 25 N -1.52 2.12 -0.05 2.13 2.02 -0.84 -4.75 117.35 116.46 3hmb s TYR 25 Ca 0.00 -0.88 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 3hmb s TYR 25 Cb 0.00 -1.43 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3hmb s TYR 25 CO 0.00 0.13 0.04 0.42 -1.57 0.00 0.00 175.55 174.57 3hmb s ILE 26 N -3.12 0.09 -0.25 2.71 1.01 -0.40 -1.45 121.20 119.79 3hmb s ILE 26 Ca 0.35 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 3hmb s ILE 26 Cb 0.09 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3hmb s ILE 26 CO 0.16 0.20 0.13 -0.89 0.00 0.00 0.00 174.94 174.55 3hmb s THR 27 N 2.09 4.98 -0.09 2.92 2.01 0.06 -1.45 115.64 126.17 3hmb s THR 27 Ca 0.05 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 3hmb s THR 27 Cb -0.12 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3hmb s THR 27 CO -0.04 0.33 0.38 -0.69 -0.69 0.00 0.00 174.62 173.91 3hmb s VAL 28 N 1.32 5.19 0.28 3.82 1.01 -0.61 -1.27 120.40 130.13 3hmb s VAL 28 Ca 0.06 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.84 3hmb s VAL 28 Cb -0.15 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3hmb s VAL 28 CO 0.06 0.44 0.01 -1.00 0.00 0.00 0.00 175.10 174.61 3hmb s HIS 29 N -0.04 1.80 -0.12 5.22 3.76 0.38 -2.26 115.29 124.03 3hmb s HIS 29 Ca 0.22 -0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 3hmb s HIS 29 Cb -0.15 -1.09 0.04 0.00 1.11 0.00 0.00 32.58 32.49 3hmb s HIS 29 CO 0.09 0.03 -0.02 -0.80 -0.85 0.00 0.00 174.74 173.20 3hmb s ASN 30 N -3.40 2.23 0.51 1.40 0.01 -1.26 -1.82 114.94 112.60 3hmb s ASN 30 Ca 0.32 -0.40 0.33 0.00 -0.71 0.00 0.00 52.86 52.40 3hmb s ASN 30 Cb 0.07 -0.64 1.46 0.00 0.41 0.00 0.00 41.25 42.55 3hmb s ASN 30 CO 0.12 -0.20 1.77 0.71 -1.51 0.00 0.00 177.10 177.99 3hmb h THR 31 N 6.35 0.39 -1.11 1.60 1.35 -1.83 -3.45 112.91 116.21 3hmb h THR 31 Ca -0.22 -0.03 -0.35 0.00 -0.55 0.00 0.00 66.41 65.26 3hmb h THR 31 Cb 1.12 0.29 -0.12 0.00 -1.73 0.00 0.00 68.15 67.71 3hmb h THR 31 CO 0.33 0.02 -0.34 0.00 -0.25 0.00 0.00 175.52 175.27 3hmb n ALA 32 N -2.70 -0.31 -3.54 6.62 0.00 -1.26 -4.96 120.51 114.36 3hmb n ALA 32 Ca 0.27 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 3hmb n ALA 32 Cb 1.23 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 3hmb n ALA 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hmb s ASN 33 N -2.71 5.20 0.00 0.00 3.84 -1.26 -4.97 114.94 115.03 3hmb s ASN 33 Ca 0.00 -1.51 0.24 0.00 0.21 0.00 0.00 52.86 51.81 3hmb s ASN 33 Cb 0.00 -1.82 0.79 0.00 -0.55 0.00 0.00 41.25 39.67 3hmb s ASN 33 CO 0.00 -0.40 1.59 0.35 -2.79 0.00 0.00 177.10 175.85 3hmb n THR 34 N 4.69 0.13 -1.76 -5.21 -2.24 -1.25 -3.22 114.28 105.42 3hmb n THR 34 Ca -0.09 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 3hmb n THR 34 Cb 0.43 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 69.30 3hmb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmb s ALA 35 N -1.87 2.38 0.14 6.98 0.00 -1.26 -1.35 121.76 126.78 3hmb s ALA 35 Ca 0.35 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3hmb s ALA 35 Cb 0.20 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3hmb s ALA 35 CO 0.30 -1.51 1.42 0.08 0.00 0.00 0.00 175.76 176.05 3hmb s VAL 36 N -1.59 3.11 0.00 0.00 1.01 -1.26 -2.51 120.40 119.15 3hmb s VAL 36 Ca 0.79 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3hmb s VAL 36 Cb -0.33 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3hmb s VAL 36 CO 0.39 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3hmb n GLY 37 N 3.39 1.01 2.39 4.51 0.00 -1.26 -4.95 105.19 110.28 3hmb n GLY 37 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3hmb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmb n ALA 38 N -0.36 7.11 -1.79 4.61 0.00 -1.05 -4.57 120.51 124.46 3hmb n ALA 38 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.98 3hmb n ALA 38 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.08 3hmb n ALA 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hmb n ASP 39 N 3.96 0.00 0.11 0.00 3.85 -1.26 -4.23 116.55 118.97 3hmb n ASP 39 Ca 0.73 -0.05 -0.13 0.00 -0.71 0.00 0.00 54.79 54.63 3hmb n ASP 39 Cb 0.24 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.93 3hmb n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hmb h ALA 40 N -1.19 -0.29 -0.93 2.12 0.00 -1.88 -1.91 119.26 115.19 3hmb h ALA 40 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hmb h ALA 40 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3hmb h ALA 40 CO 0.00 -0.49 0.60 0.00 0.00 0.00 0.00 179.25 179.36 3hmb h ALA 41 N 0.04 1.60 -0.67 0.00 0.00 -1.93 -0.47 119.26 117.82 3hmb h ALA 41 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hmb h ALA 41 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hmb h ALA 41 CO 0.05 0.21 0.34 0.00 0.00 0.00 0.00 179.25 179.84 3hmb h ALA 42 N 1.54 0.86 0.00 0.00 0.00 -1.77 -1.95 119.26 117.94 3hmb h ALA 42 Ca 0.43 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3hmb h ALA 42 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hmb h ALA 42 CO -0.20 0.41 -0.47 0.45 0.00 0.00 0.00 179.25 179.44 3hmb h HIS 43 N 0.93 0.00 -0.54 0.00 3.86 -0.36 -0.82 115.15 118.22 3hmb h HIS 43 Ca 0.23 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 3hmb h HIS 43 Cb 0.09 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3hmb h HIS 43 CO 0.00 0.47 -0.05 0.00 0.86 0.00 0.00 177.93 179.22 3hmb h ALA 44 N 1.53 0.73 -0.02 2.45 0.00 -0.56 -0.43 119.26 122.95 3hmb h ALA 44 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3hmb h ALA 44 Cb 0.92 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hmb h ALA 44 CO 0.06 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 3hmb h ARG 45 N 0.86 0.05 -0.84 0.00 3.08 -1.20 -2.88 114.38 113.44 3hmb h ARG 45 Ca 0.15 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.37 3hmb h ARG 45 Cb 0.60 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 3hmb h ARG 45 CO 0.04 0.48 0.33 -0.92 -1.07 0.00 0.00 179.97 178.83 3hmb h TYR 46 N -0.39 0.55 0.00 3.04 3.20 -0.99 0.76 116.97 123.13 3hmb h TYR 46 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3hmb h TYR 46 Cb 0.47 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3hmb h TYR 46 CO 0.08 -0.03 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.42 3hmb h LEU 47 N 0.39 0.00 -0.90 2.82 3.38 -1.01 -2.28 115.31 117.71 3hmb h LEU 47 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3hmb h LEU 47 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hmb h LEU 47 CO -0.50 0.08 0.00 0.29 0.09 0.00 0.00 178.44 178.40 3hmb n LYS 48 N -3.21 1.61 -2.06 1.13 5.02 0.24 -4.85 118.16 116.04 3hmb n LYS 48 Ca 0.00 -0.89 -0.42 0.00 -2.02 0.00 0.00 58.31 54.98 3hmb n LYS 48 Cb 0.35 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3hmb n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hmb s ASN 49 N -1.82 6.71 0.60 4.39 0.02 -0.86 -4.88 114.94 119.10 3hmb s ASN 49 Ca 0.36 2.31 0.28 0.00 -1.02 0.00 0.00 52.86 54.79 3hmb s ASN 49 Cb 0.19 -2.56 1.36 0.00 0.02 0.00 0.00 41.25 40.27 3hmb s ASN 49 CO 0.31 -0.82 1.77 -0.65 0.02 0.00 0.00 177.10 177.72 3hmb h PRO 50 N 8.19 0.00 -0.48 -0.60 0.11 -1.89 -0.69 132.00 136.64 3hmb h PRO 50 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hmb h PRO 50 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hmb h PRO 50 CO 0.92 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3hmb n ASP 51 N -3.57 3.53 -4.78 -2.05 3.85 -1.26 -4.72 116.55 107.55 3hmb n ASP 51 Ca 0.11 -1.99 -0.37 0.00 -0.71 0.00 0.00 54.79 51.84 3hmb n ASP 51 Cb 0.85 -0.32 -0.04 0.00 -1.35 0.00 0.00 41.12 40.27 3hmb n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3hmb s THR 52 N -1.37 3.73 -0.04 2.12 2.01 -0.27 -4.98 115.64 116.85 3hmb s THR 52 Ca 0.41 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.82 3hmb s THR 52 Cb 0.23 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.94 3hmb s THR 52 CO 0.32 0.01 0.11 0.35 -0.69 0.00 0.00 174.62 174.72 3hmb n THR 53 N -0.04 0.22 -2.91 -0.82 -2.24 -1.26 -3.96 114.28 103.26 3hmb n THR 53 Ca 0.05 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 3hmb n THR 53 Cb 0.50 -0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.59 3hmb n THR 53 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hmb s THR 54 N -2.39 2.78 -0.21 4.28 -4.23 -1.26 -4.62 115.64 109.98 3hmb s THR 54 Ca -0.03 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 3hmb s THR 54 Cb 0.04 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 71.15 3hmb s THR 54 CO 0.32 0.00 1.09 -0.94 -0.54 0.00 0.00 174.62 174.55 3hmb s SER 55 N -4.42 -0.31 0.27 3.99 1.04 -0.37 -4.84 113.70 109.05 3hmb s SER 55 Ca 0.57 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 3hmb s SER 55 Cb -0.09 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3hmb s SER 55 CO 0.35 -0.24 0.34 -1.66 0.98 0.00 0.00 173.24 173.01 3hmb s TRP 56 N -0.83 0.97 -0.08 5.02 -2.14 -1.26 -1.26 118.94 119.36 3hmb s TRP 56 Ca 0.01 -1.20 -0.18 0.00 2.66 0.00 0.00 56.10 57.39 3hmb s TRP 56 Cb -0.01 -0.23 -0.29 0.00 -3.10 0.00 0.00 33.47 29.84 3hmb s TRP 56 CO -0.02 -0.91 0.71 0.45 -2.66 0.00 0.00 176.95 174.52 3hmb h HIS 57 N 2.32 0.50 -4.00 1.66 3.86 -1.70 -3.36 115.15 114.42 3hmb h HIS 57 Ca -0.30 -0.36 -0.40 0.00 -1.16 0.00 0.00 60.37 58.15 3hmb h HIS 57 Cb 1.25 -0.02 -0.24 0.00 1.06 0.00 0.00 27.41 29.45 3hmb h HIS 57 CO 0.84 1.45 -0.78 -0.06 0.86 0.00 0.00 177.93 180.24 3hmb s PHE 58 N -2.46 1.06 -0.06 2.45 0.08 -0.30 -0.68 117.98 118.07 3hmb s PHE 58 Ca -0.17 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3hmb s PHE 58 Cb 0.03 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3hmb s PHE 58 CO 0.80 0.01 -0.14 0.99 -0.10 0.00 0.00 175.22 176.78 3hmb s THR 59 N -0.93 1.23 -0.02 0.64 2.01 -0.49 0.02 115.64 118.10 3hmb s THR 59 Ca -0.01 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.52 3hmb s THR 59 Cb -0.08 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 3hmb s THR 59 CO 0.01 0.37 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.37 3hmb s VAL 60 N 0.52 1.97 0.21 3.82 1.01 0.23 -1.50 120.40 126.67 3hmb s VAL 60 Ca -0.13 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.82 3hmb s VAL 60 Cb -0.15 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3hmb s VAL 60 CO 0.04 0.56 0.10 -0.90 0.00 0.00 0.00 175.10 174.90 3hmb n ASP 61 N 2.51 0.67 0.18 3.32 5.68 -1.02 -0.38 116.55 127.51 3hmb n ASP 61 Ca -0.16 -2.20 0.14 0.00 -0.50 0.00 0.00 54.79 52.07 3hmb n ASP 61 Cb 0.51 0.67 0.57 0.00 -1.14 0.00 0.00 41.12 41.73 3hmb n ASP 61 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3hmb h ASP 62 N 0.96 0.00 0.00 -1.12 3.04 -1.83 -3.32 116.42 114.15 3hmb h ASP 62 Ca -0.16 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.26 3hmb h ASP 62 Cb 0.67 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.89 3hmb h ASP 62 CO 0.25 0.00 -2.38 1.17 -2.04 0.00 0.00 179.24 176.24 3hmb n LYS 63 N -2.50 0.60 -1.58 4.15 4.81 -1.26 -4.70 118.16 117.68 3hmb n LYS 63 Ca 0.01 0.15 -0.01 0.00 -0.87 0.00 0.00 58.31 57.59 3hmb n LYS 63 Cb 0.24 -1.48 0.01 0.00 0.02 0.00 0.00 35.03 33.82 3hmb n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hmb n GLU 64 N -3.31 0.19 -4.51 1.64 0.28 -1.25 -4.76 120.64 108.92 3hmb n GLU 64 Ca -0.44 -0.38 -0.21 0.00 -0.16 0.00 0.00 57.16 55.97 3hmb n GLU 64 Cb 0.95 0.48 -0.15 0.00 1.43 0.00 0.00 31.44 34.14 3hmb n GLU 64 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hmb s ILE 65 N -2.76 0.95 -0.09 3.84 1.01 -0.47 -2.44 121.20 121.23 3hmb s ILE 65 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3hmb s ILE 65 Cb -0.01 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3hmb s ILE 65 CO 0.02 0.28 -0.18 -0.31 0.00 0.00 0.00 174.94 174.75 3hmb s TYR 66 N -0.01 2.66 -0.24 3.97 1.51 -0.56 0.81 117.35 125.49 3hmb s TYR 66 Ca -0.00 -0.59 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 3hmb s TYR 66 Cb -0.08 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3hmb s TYR 66 CO 0.00 -0.14 0.09 -1.14 -1.11 0.00 0.00 175.55 173.26 3hmb s GLN 67 N -0.06 3.80 -0.01 -0.62 0.74 0.04 -1.40 119.66 122.15 3hmb s GLN 67 Ca -0.04 -0.41 0.18 0.00 0.05 0.00 0.00 55.36 55.14 3hmb s GLN 67 Cb -0.14 -3.36 -0.24 0.00 1.10 0.00 0.00 33.01 30.37 3hmb s GLN 67 CO 0.04 -0.05 0.59 0.72 -0.55 0.00 0.00 175.29 176.04 3hmb n HIS 68 N 4.54 0.00 -3.81 1.67 8.25 0.14 -0.89 115.22 125.12 3hmb n HIS 68 Ca -0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 3hmb n HIS 68 Cb 0.52 -0.21 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 3hmb n HIS 68 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hmb s LEU 69 N -3.57 1.28 0.67 2.41 1.02 -1.25 -0.97 118.68 118.28 3hmb s LEU 69 Ca 0.00 0.32 -0.16 0.00 0.02 0.00 0.00 54.13 54.31 3hmb s LEU 69 Cb 0.13 0.69 0.01 0.00 0.02 0.00 0.00 46.19 47.03 3hmb s LEU 69 CO 0.76 -0.11 1.20 -2.16 0.02 0.00 0.00 176.35 176.06 3hmb s PRO 70 N -0.10 2.51 0.00 1.29 0.04 -1.26 -4.81 135.00 132.68 3hmb s PRO 70 Ca -0.02 1.75 0.13 0.00 0.04 0.00 0.00 61.00 62.90 3hmb s PRO 70 Cb -0.02 -1.88 0.79 0.00 0.04 0.00 0.00 34.50 33.43 3hmb s PRO 70 CO 0.01 -1.55 1.37 1.28 0.04 0.00 0.00 177.00 178.14 3hmb n LEU 71 N -2.28 0.00 -0.80 -3.56 4.77 -1.26 -2.73 117.00 111.14 3hmb n LEU 71 Ca 0.13 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3hmb n LEU 71 Cb 0.50 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.79 3hmb n LEU 71 CO 0.47 0.00 0.67 -0.46 -1.33 0.00 0.00 177.39 176.73 3hmb n ASN 72 N -0.75 3.27 -4.34 -1.43 0.23 -1.26 -4.59 115.26 106.39 3hmb n ASN 72 Ca 0.10 -2.16 -0.18 0.00 -0.53 0.00 0.00 54.58 51.81 3hmb n ASN 72 Cb 0.05 -0.32 -0.10 0.00 -2.08 0.00 0.00 39.78 37.32 3hmb n ASN 72 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3hmb s GLU 73 N -1.29 1.32 0.51 -3.83 2.02 -1.11 -0.43 118.70 115.88 3hmb s GLU 73 Ca 0.30 -1.64 0.08 0.00 0.02 0.00 0.00 54.97 53.74 3hmb s GLU 73 Cb 0.18 -0.81 0.04 0.00 0.10 0.00 0.00 34.13 33.64 3hmb s GLU 73 CO 0.17 0.01 0.61 0.54 0.02 0.00 0.00 175.26 176.62 3hmb s ASN 74 N -3.31 5.16 0.32 -0.19 4.22 -1.06 -4.72 114.94 115.37 3hmb s ASN 74 Ca 0.25 -0.79 0.04 0.00 -2.14 0.00 0.00 52.86 50.22 3hmb s ASN 74 Cb 0.04 -0.05 -0.02 0.00 1.28 0.00 0.00 41.25 42.49 3hmb s ASN 74 CO 0.07 -1.06 0.31 -0.83 -2.04 0.00 0.00 177.10 173.56 3hmb s GLY 75 N -4.45 2.00 -0.31 0.45 0.00 -1.25 -4.61 107.32 99.16 3hmb s GLY 75 Ca 0.54 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 3hmb s GLY 75 CO 0.33 -1.34 0.01 -0.98 0.00 0.00 0.00 173.10 171.12 3hmb s TRP 76 N -3.44 3.32 0.00 1.90 0.23 -0.39 -4.71 118.94 115.85 3hmb s TRP 76 Ca 0.38 -2.01 0.00 0.00 -2.03 0.00 0.00 56.10 52.44 3hmb s TRP 76 Cb 0.02 -2.24 0.00 0.00 0.03 0.00 0.00 33.47 31.28 3hmb s TRP 76 CO 0.24 -0.83 0.00 -2.39 0.96 0.00 0.00 176.95 174.92 3hmb n HIS 77 N 4.59 0.00 1.61 -1.98 1.44 -1.25 -1.24 115.22 118.38 3hmb n HIS 77 Ca -0.11 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.75 3hmb n HIS 77 Cb 0.43 0.00 0.76 0.00 0.12 0.00 0.00 29.99 31.29 3hmb n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hmb n ALA 78 N -0.36 2.64 -3.84 1.59 0.00 -1.26 -4.93 120.51 114.36 3hmb n ALA 78 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 3hmb n ALA 78 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 3hmb n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmb n GLY 79 N 1.19 -0.47 2.17 0.00 0.00 -1.26 -3.82 105.19 102.99 3hmb n GLY 79 Ca 0.18 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 3hmb n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hmb n ASP 80 N -2.55 3.06 0.00 1.61 5.75 -1.26 -4.69 116.55 118.47 3hmb n ASP 80 Ca 0.04 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 3hmb n ASP 80 Cb 0.51 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3hmb n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hmb n GLY 81 N -0.61 3.07 1.19 6.12 0.00 -1.26 -0.30 105.19 113.40 3hmb n GLY 81 Ca 0.25 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.48 3hmb n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hmb n ASN 82 N 4.32 3.39 -4.71 1.61 3.02 -1.26 -4.55 115.26 117.08 3hmb n ASN 82 Ca 0.00 -2.44 -0.29 0.00 -0.03 0.00 0.00 54.58 51.82 3hmb n ASN 82 Cb 0.00 -0.56 0.16 0.00 -0.61 0.00 0.00 39.78 38.77 3hmb n ASN 82 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hmb s GLY 83 N -0.50 1.58 0.61 7.41 0.00 0.59 -4.65 107.32 112.37 3hmb s GLY 83 Ca 0.29 -0.29 0.32 0.00 0.00 0.00 0.00 44.72 45.04 3hmb s GLY 83 CO 0.10 0.27 2.16 1.76 0.00 0.00 0.00 173.10 177.38 3hmb h SER 84 N -1.71 0.00 0.46 1.64 0.02 -1.92 -0.74 113.55 111.31 3hmb h SER 84 Ca -0.52 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3hmb h SER 84 Cb 1.31 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3hmb h SER 84 CO 0.57 0.00 -0.43 1.23 -1.14 0.00 0.00 176.83 177.06 3hmb h GLY 85 N 0.00 -1.06 1.53 -3.77 0.00 -1.90 0.12 103.07 97.98 3hmb h GLY 85 Ca 0.05 0.50 -0.29 0.00 0.00 0.00 0.00 47.33 47.59 3hmb h GLY 85 CO -0.00 -0.35 -1.31 3.43 0.00 0.00 0.00 176.54 178.31 3hmb h ASN 86 N -0.90 0.49 0.74 0.19 2.35 -1.73 -3.31 115.58 113.41 3hmb h ASN 86 Ca -0.05 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 3hmb h ASN 86 Cb 0.79 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3hmb h ASN 86 CO -0.05 1.42 -0.64 0.54 -1.65 0.00 0.00 177.43 177.05 3hmb n ARG 87 N -3.55 0.23 -1.62 0.81 5.12 -0.31 -3.89 116.66 113.44 3hmb n ARG 87 Ca -0.11 0.06 0.03 0.00 -1.93 0.00 0.00 57.85 55.90 3hmb n ARG 87 Cb 1.04 -1.64 0.02 0.00 -1.16 0.00 0.00 32.46 30.72 3hmb n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hmb n ALA 88 N -1.76 2.48 -2.96 7.54 0.00 0.40 -4.63 120.51 121.58 3hmb n ALA 88 Ca 0.04 -2.27 -0.11 0.00 0.00 0.00 0.00 53.44 51.10 3hmb n ALA 88 Cb 0.42 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 3hmb n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hmb s SER 89 N -2.12 0.05 -0.28 0.00 1.04 -1.16 -0.62 113.70 110.61 3hmb s SER 89 Ca 0.31 -0.31 -0.22 0.00 0.48 0.00 0.00 55.95 56.21 3hmb s SER 89 Cb 0.36 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3hmb s SER 89 CO -0.14 -0.45 0.69 -0.63 0.98 0.00 0.00 173.24 173.68 3hmb s ILE 90 N -1.97 4.91 -0.13 -1.02 1.01 -0.53 -4.84 121.20 118.63 3hmb s ILE 90 Ca -0.10 1.11 -0.21 0.00 0.00 0.00 0.00 60.65 61.45 3hmb s ILE 90 Cb -0.04 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3hmb s ILE 90 CO -0.01 -0.10 0.62 -0.83 0.00 0.00 0.00 174.94 174.62 3hmb s GLY 91 N 1.54 2.33 -0.07 6.18 0.00 -1.26 -0.76 107.32 115.29 3hmb s GLY 91 Ca 0.28 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.94 3hmb s GLY 91 CO 0.10 1.15 -0.18 -0.42 0.00 0.00 0.00 173.10 173.75 3hmb s ILE 92 N 1.23 1.56 -0.10 0.90 1.01 -0.40 -1.15 121.20 124.25 3hmb s ILE 92 Ca 0.31 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3hmb s ILE 92 Cb -0.16 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 3hmb s ILE 92 CO 0.13 0.45 -0.13 -1.61 0.00 0.00 0.00 174.94 173.78 3hmb s GLU 93 N 0.32 3.08 -0.24 2.79 0.41 0.10 -0.47 118.70 124.70 3hmb s GLU 93 Ca -0.12 -0.69 -0.06 0.00 -0.41 0.00 0.00 54.97 53.70 3hmb s GLU 93 Cb -0.15 -2.55 -0.02 0.00 -1.78 0.00 0.00 34.13 29.64 3hmb s GLU 93 CO 0.05 0.36 0.02 0.42 -0.49 0.00 0.00 175.26 175.62 3hmb s ILE 94 N -0.03 3.89 0.58 -1.63 1.01 -0.76 0.77 121.20 125.03 3hmb s ILE 94 Ca -0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 3hmb s ILE 94 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3hmb s ILE 94 CO 0.04 0.36 1.18 0.00 0.00 0.00 0.00 174.94 176.52 3hmb n GLU 96 N -1.49 1.33 -1.97 0.00 1.02 -1.25 -4.79 120.64 113.50 3hmb n GLU 96 Ca 0.13 -3.01 -0.42 0.00 -0.02 0.00 0.00 57.16 53.84 3hmb n GLU 96 Cb 0.50 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 3hmb n GLU 96 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hmb s ASN 97 N -2.93 6.64 0.59 1.62 4.22 -1.20 -3.79 114.94 120.08 3hmb s ASN 97 Ca 0.37 2.41 0.24 0.00 -2.14 0.00 0.00 52.86 53.74 3hmb s ASN 97 Cb 0.38 -2.56 1.29 0.00 1.28 0.00 0.00 41.25 41.64 3hmb s ASN 97 CO -0.09 -0.88 1.70 0.00 -2.04 0.00 0.00 177.10 175.80 3hmb h ALA 98 N 8.54 1.35 -0.31 3.54 0.00 -1.35 0.39 119.26 131.43 3hmb h ALA 98 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hmb h ALA 98 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hmb h ALA 98 CO 0.93 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 3hmb n ASP 99 N -2.66 2.11 -3.25 0.00 5.68 -1.26 -4.90 116.55 112.26 3hmb n ASP 99 Ca -0.02 -1.88 -0.15 0.00 -0.50 0.00 0.00 54.79 52.25 3hmb n ASP 99 Cb 0.42 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 3hmb n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hmb n GLY 100 N 1.18 3.77 3.08 6.12 0.00 0.14 -5.04 105.19 114.43 3hmb n GLY 100 Ca 0.15 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 3hmb n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hmb s ASP 101 N -2.32 4.57 0.26 1.61 2.15 -1.26 -4.94 116.67 116.73 3hmb s ASP 101 Ca 0.02 -1.51 -0.04 0.00 0.43 0.00 0.00 52.55 51.45 3hmb s ASP 101 Cb -0.00 -1.59 0.35 0.00 -0.30 0.00 0.00 42.92 41.38 3hmb s ASP 101 CO 0.01 -0.23 1.89 0.15 -0.17 0.00 0.00 175.17 176.82 3hmb h PHE 102 N 7.78 1.20 -0.97 -5.34 3.57 -1.91 -0.16 116.94 121.11 3hmb h PHE 102 Ca -0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3hmb h PHE 102 Cb 1.04 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 3hmb h PHE 102 CO 0.61 0.66 0.60 0.00 -2.23 0.00 0.00 178.31 177.95 3hmb h ALA 103 N 1.42 1.25 -0.04 2.41 0.00 -1.96 0.21 119.26 122.54 3hmb h ALA 103 Ca 0.41 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 3hmb h ALA 103 Cb 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hmb h ALA 103 CO -0.14 0.67 -0.79 -0.22 0.00 0.00 0.00 179.25 178.77 3hmb h LYS 104 N 1.32 0.32 -0.49 0.00 3.64 -1.70 -1.55 116.57 118.12 3hmb h LYS 104 Ca 0.35 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3hmb h LYS 104 Cb -0.09 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hmb h LYS 104 CO -0.07 0.96 0.09 0.00 -2.27 0.00 0.00 179.45 178.16 3hmb h ALA 105 N 0.95 0.65 -0.42 5.00 0.00 -0.44 -1.36 119.26 123.64 3hmb h ALA 105 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hmb h ALA 105 Cb 1.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3hmb h ALA 105 CO 0.13 0.36 0.24 1.15 0.00 0.00 0.00 179.25 181.13 3hmb h THR 106 N 0.67 1.14 -0.61 0.00 2.02 -0.48 0.95 112.91 116.61 3hmb h THR 106 Ca 0.15 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3hmb h THR 106 Cb 0.37 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3hmb h THR 106 CO 0.01 0.15 0.35 0.00 0.37 0.00 0.00 175.52 176.40 3hmb h ALA 107 N 1.10 0.80 -0.83 6.16 0.00 -1.05 0.13 119.26 125.58 3hmb h ALA 107 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hmb h ALA 107 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hmb h ALA 107 CO -0.03 0.06 0.48 -0.91 0.00 0.00 0.00 179.25 178.86 3hmb h ASN 108 N 0.68 1.01 -0.66 0.00 2.35 -0.58 -1.95 115.58 116.43 3hmb h ASN 108 Ca 0.26 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3hmb h ASN 108 Cb 0.09 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3hmb h ASN 108 CO -0.14 0.80 0.20 0.00 -1.65 0.00 0.00 177.43 176.64 3hmb h ALA 109 N 1.26 0.86 -0.67 -0.83 0.00 0.12 -2.00 119.26 118.00 3hmb h ALA 109 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hmb h ALA 109 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hmb h ALA 109 CO -0.05 0.54 0.33 1.96 0.00 0.00 0.00 179.25 182.03 3hmb h GLN 110 N 0.96 0.94 -0.34 0.00 4.20 -0.40 -0.85 115.11 119.62 3hmb h GLN 110 Ca 0.21 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3hmb h GLN 110 Cb 0.30 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hmb h GLN 110 CO -0.01 0.72 0.09 2.35 -0.67 0.00 0.00 178.83 181.32 3hmb h TRP 111 N 0.94 0.57 -0.52 2.96 7.01 -0.85 -2.01 115.95 124.04 3hmb h TRP 111 Ca 0.23 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.18 3hmb h TRP 111 Cb 0.09 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3hmb h TRP 111 CO 0.01 0.57 0.33 1.25 -2.79 0.00 0.00 178.44 177.81 3hmb h LEU 112 N 0.40 0.55 -0.71 0.65 5.85 -0.77 -1.83 115.31 119.45 3hmb h LEU 112 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3hmb h LEU 112 Cb 0.28 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3hmb h LEU 112 CO -0.00 0.39 0.32 0.40 -0.34 0.00 0.00 178.44 179.22 3hmb h ILE 113 N 0.66 1.24 -0.29 4.05 2.04 -1.11 0.85 117.51 124.95 3hmb h ILE 113 Ca 0.20 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3hmb h ILE 113 Cb -0.03 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3hmb h ILE 113 CO -0.07 0.29 0.18 0.50 0.00 0.00 0.00 178.15 179.05 3hmb h LYS 114 N 1.00 0.40 -0.50 2.37 3.64 -1.02 0.57 116.57 123.03 3hmb h LYS 114 Ca 0.24 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3hmb h LYS 114 Cb 0.15 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3hmb h LYS 114 CO -0.03 0.31 -0.06 1.15 -2.27 0.00 0.00 179.45 178.55 3hmb h THR 115 N 0.37 1.26 -0.60 1.00 2.02 -1.09 -2.70 112.91 113.17 3hmb h THR 115 Ca 0.11 -1.15 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 3hmb h THR 115 Cb 0.01 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3hmb h THR 115 CO -0.02 0.40 0.07 -0.07 0.37 0.00 0.00 175.52 176.28 3hmb h LEU 116 N 0.81 0.95 -1.04 2.58 4.07 -0.48 -2.09 115.31 120.11 3hmb h LEU 116 Ca 0.14 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 3hmb h LEU 116 Cb 0.57 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 3hmb h LEU 116 CO 0.03 0.97 0.12 0.24 -1.08 0.00 0.00 178.44 178.72 3hmb h MET 117 N 0.93 0.81 -0.05 1.13 2.86 -0.61 -2.24 114.93 117.76 3hmb h MET 117 Ca 0.18 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 3hmb h MET 117 Cb 0.44 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3hmb h MET 117 CO 0.01 0.74 -0.72 0.00 1.06 0.00 0.00 176.91 178.00 3hmb h ALA 118 N 1.35 0.66 0.00 6.32 0.00 -1.20 -2.01 119.26 124.38 3hmb h ALA 118 Ca 0.17 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hmb h ALA 118 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hmb h ALA 118 CO -0.00 0.79 -0.18 0.93 0.00 0.00 0.00 179.25 180.79 3hmb h GLU 119 N 0.20 0.00 0.00 0.00 5.08 -1.14 -3.34 114.58 115.38 3hmb h GLU 119 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3hmb h GLU 119 Cb 1.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 3hmb h GLU 119 CO 0.12 0.09 -0.40 0.72 -1.00 0.00 0.00 179.01 178.54 3hmb n HIS 120 N -3.09 0.00 -3.92 4.33 8.25 -0.86 -5.02 115.22 114.90 3hmb n HIS 120 Ca 0.03 -0.82 -0.35 0.00 -0.26 0.00 0.00 57.72 56.32 3hmb n HIS 120 Cb 0.57 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.54 3hmb n HIS 120 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hmb n ASN 121 N -0.73 -3.69 -4.29 0.41 4.13 -0.81 -4.94 115.26 105.34 3hmb n ASN 121 Ca 0.12 -1.05 -0.35 0.00 1.68 0.00 0.00 54.58 54.98 3hmb n ASN 121 Cb 0.74 -1.36 -0.14 0.00 -1.54 0.00 0.00 39.78 37.48 3hmb n ASN 121 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hmb s ILE 122 N -3.48 3.21 0.71 2.41 1.01 -0.87 -5.06 121.20 119.14 3hmb s ILE 122 Ca 0.30 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 3hmb s ILE 122 Cb -0.17 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3hmb s ILE 122 CO 0.82 0.44 1.13 -0.94 0.00 0.00 0.00 174.94 176.39 3hmb s SER 123 N 1.44 4.62 0.36 3.58 1.04 -1.26 -4.69 113.70 118.80 3hmb s SER 123 Ca 0.05 2.08 0.07 0.00 0.48 0.00 0.00 55.95 58.64 3hmb s SER 123 Cb -0.14 -2.56 0.77 0.00 0.10 0.00 0.00 66.02 64.19 3hmb s SER 123 CO -0.04 -1.96 1.92 0.25 0.98 0.00 0.00 173.24 174.39 3hmb h LEU 124 N -0.36 0.66 -2.26 2.42 5.85 -1.99 -0.45 115.31 119.19 3hmb h LEU 124 Ca -0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3hmb h LEU 124 Cb 1.26 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3hmb h LEU 124 CO 0.52 0.39 -0.02 0.00 -0.34 0.00 0.00 178.44 178.99 3hmb h ALA 125 N 1.60 1.66 -0.29 1.25 0.00 -2.01 -0.95 119.26 120.52 3hmb h ALA 125 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hmb h ALA 125 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hmb h ALA 125 CO -0.14 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.22 3hmb n ASN 126 N -4.06 1.75 -4.38 0.00 3.02 -0.18 -4.62 115.26 106.79 3hmb n ASN 126 Ca -0.03 -2.04 -0.45 0.00 -0.03 0.00 0.00 54.58 52.03 3hmb n ASN 126 Cb 0.10 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 3hmb n ASN 126 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hmb s VAL 127 N -1.61 5.10 0.33 2.41 1.01 -0.36 -1.27 120.40 125.99 3hmb s VAL 127 Ca 0.20 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3hmb s VAL 127 Cb 0.11 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3hmb s VAL 127 CO 0.13 -0.77 -0.07 0.68 0.00 0.00 0.00 175.10 175.06 3hmb s VAL 128 N 1.98 2.01 0.54 2.92 -7.23 -0.53 -4.98 120.40 115.10 3hmb s VAL 128 Ca 0.07 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.07 3hmb s VAL 128 Cb -0.25 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.11 3hmb s VAL 128 CO 0.07 -0.22 0.79 -2.16 -0.31 0.00 0.00 175.10 173.26 3hmb s PRO 129 N -3.66 2.73 0.27 4.82 0.04 -1.26 -1.58 135.00 136.36 3hmb s PRO 129 Ca 0.32 -0.51 -0.03 0.00 0.04 0.00 0.00 61.00 60.81 3hmb s PRO 129 Cb 0.03 -2.44 0.37 0.00 0.04 0.00 0.00 34.50 32.50 3hmb s PRO 129 CO 0.15 -0.62 1.91 1.25 0.04 0.00 0.00 177.00 179.73 3hmb h HIS 130 N 0.07 1.20 -0.18 0.56 -0.00 -1.09 -1.63 115.15 114.08 3hmb h HIS 130 Ca -0.44 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.01 3hmb h HIS 130 Cb 1.28 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 3hmb h HIS 130 CO 0.41 0.69 0.37 -0.22 -0.00 0.00 0.00 177.93 179.17 3hmb h LYS 131 N 1.23 0.00 -0.18 5.26 3.64 -1.37 -0.43 116.57 124.72 3hmb h LYS 131 Ca 0.39 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.72 3hmb h LYS 131 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3hmb h LYS 131 CO -0.12 0.00 -0.14 -0.92 -2.27 0.00 0.00 179.45 176.00 3hmb h TYR 132 N 0.00 0.31 0.03 1.91 3.20 -1.60 -1.07 116.97 119.75 3hmb h TYR 132 Ca 0.08 -0.04 -0.37 0.00 3.14 0.00 0.00 58.73 61.54 3hmb h TYR 132 Cb 0.82 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3hmb h TYR 132 CO 0.00 0.43 -2.14 0.91 -1.64 0.00 0.00 178.16 175.73 3hmb n TRP 133 N -4.24 0.52 0.44 -3.82 7.02 -0.18 -4.68 117.44 112.50 3hmb n TRP 133 Ca -0.00 0.16 0.06 0.00 -1.02 0.00 0.00 57.50 56.69 3hmb n TRP 133 Cb 0.29 -1.06 -0.08 0.00 -2.42 0.00 0.00 31.31 28.04 3hmb n TRP 133 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hmb n SER 134 N -3.80 0.95 0.00 -0.99 3.41 -1.15 -4.83 113.62 107.22 3hmb n SER 134 Ca -0.42 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3hmb n SER 134 Cb 0.92 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 66.01 3hmb n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmb n GLY 135 N 1.41 0.53 3.82 5.00 0.00 -0.41 -5.03 105.19 110.52 3hmb n GLY 135 Ca 0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3hmb n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hmb s LYS 136 N -0.26 4.23 -1.08 1.61 2.20 -1.26 -4.94 119.74 120.24 3hmb s LYS 136 Ca 0.00 1.06 -0.21 0.00 -0.36 0.00 0.00 55.97 56.46 3hmb s LYS 136 Cb 0.00 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.94 3hmb s LYS 136 CO 0.00 0.04 1.93 0.39 -0.36 0.00 0.00 175.35 177.35 3hmb n GLU 137 N -0.44 1.88 -3.72 4.03 -0.58 -1.26 -3.57 120.64 116.98 3hmb n GLU 137 Ca 0.06 -2.37 -0.12 0.00 -0.42 0.00 0.00 57.16 54.31 3hmb n GLU 137 Cb 0.53 -3.37 -0.12 0.00 -0.57 0.00 0.00 31.44 27.92 3hmb n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hmb s PRO 139 N 1.05 4.09 0.18 0.00 0.04 -1.26 -1.67 135.00 137.43 3hmb s PRO 139 Ca -0.07 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 3hmb s PRO 139 Cb -0.08 -3.83 0.16 0.00 0.04 0.00 0.00 34.50 30.79 3hmb s PRO 139 CO -0.08 -0.90 1.74 0.07 0.04 0.00 0.00 177.00 177.87 3hmb h ARG 140 N 8.79 0.28 -0.00 4.56 0.11 -1.88 0.12 114.38 126.36 3hmb h ARG 140 Ca -0.27 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.79 3hmb h ARG 140 Cb 1.11 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.12 3hmb h ARG 140 CO 1.00 0.19 -0.00 1.63 0.10 0.00 0.00 179.97 182.88 3hmb n LYS 141 N -5.05 0.52 -0.03 0.08 5.02 -1.26 -3.72 118.16 113.72 3hmb n LYS 141 Ca 0.04 -0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3hmb n LYS 141 Cb 0.20 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 3hmb n LYS 141 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hmb n LEU 142 N -1.24 0.00 0.06 -0.35 4.32 -0.80 -4.73 117.00 114.27 3hmb n LEU 142 Ca 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.03 3hmb n LEU 142 Cb 0.22 0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 3hmb n LEU 142 CO 0.22 0.14 0.67 -0.07 -1.22 0.00 0.00 177.39 177.13 3hmb h LEU 143 N 0.00 -0.87 -0.99 2.23 3.38 -0.86 0.49 115.31 118.70 3hmb h LEU 143 Ca -0.15 0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.27 3hmb h LEU 143 Cb 1.12 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 42.07 3hmb h LEU 143 CO 0.01 -0.36 0.51 -0.78 0.09 0.00 0.00 178.44 177.91 3hmb h ASP 144 N -0.44 0.39 -0.42 -0.43 3.58 -1.85 0.13 116.42 117.38 3hmb h ASP 144 Ca 0.06 0.21 -0.30 0.00 0.42 0.00 0.00 57.03 57.42 3hmb h ASP 144 Cb 0.53 0.19 -0.23 0.00 1.72 0.00 0.00 39.33 41.54 3hmb h ASP 144 CO -0.25 -0.21 -0.62 0.29 -2.88 0.00 0.00 179.24 175.58 3hmb n LYS 145 N -5.13 2.65 -0.21 0.28 4.76 -1.02 -4.87 118.16 114.62 3hmb n LYS 145 Ca 0.32 -3.74 0.01 0.00 -2.87 0.00 0.00 58.31 52.02 3hmb n LYS 145 Cb 1.01 -1.98 0.09 0.00 -1.84 0.00 0.00 35.03 32.32 3hmb n LYS 145 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 3hmb h TRP 146 N 1.62 -0.19 -0.93 2.13 2.91 0.16 -0.53 115.95 121.11 3hmb h TRP 146 Ca 0.21 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.35 3hmb h TRP 146 Cb 1.30 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 30.07 3hmb h TRP 146 CO 0.83 -0.23 0.61 -0.44 -1.03 0.00 0.00 178.44 178.18 3hmb h ASP 147 N 0.05 0.94 0.19 2.65 5.19 -1.86 -0.67 116.42 122.91 3hmb h ASP 147 Ca 0.32 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.63 3hmb h ASP 147 Cb 0.51 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3hmb h ASP 147 CO -0.60 0.59 -0.42 -1.28 -3.12 0.00 0.00 179.24 174.41 3hmb h SER 148 N 1.06 0.31 -0.33 6.45 0.87 -1.52 -1.21 113.55 119.19 3hmb h SER 148 Ca 0.41 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3hmb h SER 148 Cb 0.22 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3hmb h SER 148 CO -0.16 0.70 0.08 0.15 -0.53 0.00 0.00 176.83 177.07 3hmb h PHE 149 N 0.25 0.55 -0.29 2.24 3.57 -0.31 -2.55 116.94 120.39 3hmb h PHE 149 Ca 0.02 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 3hmb h PHE 149 Cb 0.85 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3hmb h PHE 149 CO 0.02 0.57 -0.40 0.87 -2.23 0.00 0.00 178.31 177.14 3hmb h LYS 150 N 0.37 0.70 -0.10 1.11 1.57 -1.22 -2.80 116.57 116.20 3hmb h LYS 150 Ca 0.10 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3hmb h LYS 150 Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hmb h LYS 150 CO 0.00 0.98 0.10 0.00 -0.57 0.00 0.00 179.45 179.96 3hmb h ALA 151 N 0.98 1.72 -0.00 3.86 0.00 -1.04 -0.86 119.26 123.92 3hmb h ALA 151 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hmb h ALA 151 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hmb h ALA 151 CO 0.09 -0.15 -0.34 0.41 0.00 0.00 0.00 179.25 179.25 3hmb n GLY 152 N -1.39 -0.96 0.13 0.00 0.00 -0.98 -4.28 105.19 97.71 3hmb n GLY 152 Ca -0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3hmb n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hmb h ILE 153 N 0.56 0.93 0.00 -0.61 2.04 -1.14 -3.48 117.51 115.81 3hmb h ILE 153 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hmb h ILE 153 Cb 0.49 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3hmb h ILE 153 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.86