#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bib s THR 5 N 0.00 3.59 -0.18 -3.53 2.01 -1.26 -1.61 115.64 114.66 3bib s THR 5 Ca 0.00 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.47 3bib s THR 5 Cb 0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3bib s THR 5 CO 0.00 0.48 0.09 -0.63 -0.69 0.00 0.00 174.62 173.87 3bib s ILE 6 N 0.68 5.05 -0.17 1.82 -1.09 0.09 -5.00 121.20 122.58 3bib s ILE 6 Ca -0.03 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 3bib s ILE 6 Cb -0.15 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 3bib s ILE 6 CO 0.02 0.48 0.01 -0.63 -1.23 0.00 0.00 174.94 173.59 3bib s ILE 7 N 0.15 4.35 0.27 2.92 -1.09 -1.26 -0.85 121.20 125.69 3bib s ILE 7 Ca 0.06 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3bib s ILE 7 Cb -0.12 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3bib s ILE 7 CO -0.00 0.48 0.12 -0.83 -1.23 0.00 0.00 174.94 173.48 3bib s GLY 8 N 0.33 1.81 -0.09 6.18 0.00 -0.66 -5.00 107.32 109.88 3bib s GLY 8 Ca -0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 42.84 3bib s GLY 8 CO 0.02 -1.57 0.18 -1.36 0.00 0.00 0.00 173.10 170.36 3bib s PHE 9 N -3.75 3.61 0.36 1.90 0.08 -1.26 -1.21 117.98 117.71 3bib s PHE 9 Ca 0.37 0.57 -0.28 0.00 0.12 0.00 0.00 56.93 57.71 3bib s PHE 9 Cb 0.07 -1.97 -0.11 0.00 -0.57 0.00 0.00 43.02 40.44 3bib s PHE 9 CO 0.15 0.72 1.43 -0.51 -0.10 0.00 0.00 175.22 176.90 3bib s LEU 10 N -1.12 4.36 0.00 -0.37 1.43 -0.39 -2.35 118.68 120.24 3bib s LEU 10 Ca 0.17 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 3bib s LEU 10 Cb -0.13 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3bib s LEU 10 CO 0.06 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.49 3bib n GLY 11 N 0.59 1.82 3.51 -3.19 0.00 -0.26 -4.55 105.19 103.12 3bib n GLY 11 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3bib n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bib s GLN 12 N -0.20 1.83 0.75 1.61 -1.52 -0.99 -4.55 119.66 116.60 3bib s GLN 12 Ca 0.00 -1.62 -0.11 0.00 -1.95 0.00 0.00 55.36 51.68 3bib s GLN 12 Cb 0.00 -1.90 0.04 0.00 -0.22 0.00 0.00 33.01 30.93 3bib s GLN 12 CO 0.00 0.35 1.08 -1.25 -0.25 0.00 0.00 175.29 175.22 3bib s PRO 13 N -3.40 2.47 0.11 2.91 0.04 -1.26 -2.00 135.00 133.86 3bib s PRO 13 Ca 0.29 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3bib s PRO 13 Cb -0.06 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3bib s PRO 13 CO 0.16 -1.44 -0.09 0.14 0.04 0.00 0.00 177.00 175.80 3bib s VAL 14 N -3.00 0.94 -0.15 -0.36 -7.23 -0.75 -4.71 120.40 105.15 3bib s VAL 14 Ca 0.60 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3bib s VAL 14 Cb -0.16 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.28 3bib s VAL 14 CO 0.55 -0.66 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.64 3bib s THR 15 N -2.85 1.68 -0.30 5.32 2.01 -1.26 -1.05 115.64 119.19 3bib s THR 15 Ca 0.09 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 3bib s THR 15 Cb -0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3bib s THR 15 CO -0.01 0.48 0.33 -0.76 -0.69 0.00 0.00 174.62 173.97 3bib s LEU 16 N 1.37 4.19 0.18 4.42 1.43 0.72 -4.93 118.68 126.07 3bib s LEU 16 Ca 0.03 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 3bib s LEU 16 Cb -0.13 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 3bib s LEU 16 CO -0.10 -0.22 1.18 -2.16 0.23 0.00 0.00 176.35 175.28 3bib s PRO 17 N 1.98 4.51 -0.26 1.29 0.04 -1.26 -1.03 135.00 140.27 3bib s PRO 17 Ca 0.12 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 3bib s PRO 17 Cb -0.16 -3.25 0.11 0.00 0.04 0.00 0.00 34.50 31.25 3bib s PRO 17 CO 0.11 -0.06 0.57 0.00 0.04 0.00 0.00 177.00 177.66 3bib s HIS 19 N 2.74 1.01 -0.43 0.00 3.76 -1.26 -2.10 115.29 119.01 3bib s HIS 19 Ca -0.05 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 3bib s HIS 19 Cb -0.12 -0.72 0.12 0.00 1.11 0.00 0.00 32.58 32.97 3bib s HIS 19 CO -0.17 -0.11 0.19 -0.47 -0.85 0.00 0.00 174.74 173.33 3bib s TYR 20 N 0.23 2.64 0.19 1.40 5.04 -0.22 -5.01 117.35 121.61 3bib s TYR 20 Ca -0.04 -2.68 -0.13 0.00 -2.44 0.00 0.00 57.07 51.78 3bib s TYR 20 Cb -0.09 -2.35 0.20 0.00 0.35 0.00 0.00 41.96 40.07 3bib s TYR 20 CO 0.01 -0.81 1.68 -0.07 -1.34 0.00 0.00 175.55 175.02 3bib h LEU 21 N 6.99 -0.20 -3.49 6.97 3.38 -1.83 -2.19 115.31 124.94 3bib h LEU 21 Ca -0.06 0.12 -0.38 0.00 0.09 0.00 0.00 57.88 57.65 3bib h LEU 21 Cb 0.94 0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 3bib h LEU 21 CO 0.55 -0.07 0.49 -1.54 0.09 0.00 0.00 178.44 177.97 3bib n SER 22 N -5.22 5.86 -4.73 -0.43 3.41 -1.26 -4.82 113.62 106.43 3bib n SER 22 Ca 0.06 -3.16 -0.42 0.00 -0.26 0.00 0.00 58.87 55.08 3bib n SER 22 Cb 0.28 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 63.27 3bib n SER 22 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3bib n TRP 23 N -0.10 2.57 -4.09 7.33 -0.00 -0.82 -5.01 117.44 117.31 3bib n TRP 23 Ca 0.37 0.49 -0.27 0.00 -0.00 0.00 0.00 57.50 58.09 3bib n TRP 23 Cb 0.76 -2.47 -0.17 0.00 -0.00 0.00 0.00 31.31 29.43 3bib n TRP 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3bib s SER 24 N -0.15 2.27 0.37 5.87 0.15 -1.26 -4.85 113.70 116.10 3bib s SER 24 Ca 0.56 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.97 3bib s SER 24 Cb -0.54 -0.95 0.92 0.00 -1.71 0.00 0.00 66.02 63.74 3bib s SER 24 CO 0.61 -0.07 1.84 1.56 1.20 0.00 0.00 173.24 178.38 3bib h GLN 25 N 7.89 0.57 0.00 5.44 4.20 -1.81 0.95 115.11 132.35 3bib h GLN 25 Ca -0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3bib h GLN 25 Cb 1.14 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3bib h GLN 25 CO 0.46 0.38 -0.56 -1.13 -0.67 0.00 0.00 178.83 177.30 3bib n SER 26 N -4.59 0.55 -0.05 1.46 3.41 -1.26 -4.00 113.62 109.15 3bib n SER 26 Ca 0.20 -0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.63 3bib n SER 26 Cb 0.60 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.73 3bib n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bib n ARG 27 N -1.71 1.67 -4.04 4.33 1.74 -0.65 -5.06 116.66 112.95 3bib n ARG 27 Ca 0.05 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.93 3bib n ARG 27 Cb 0.37 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3bib n ARG 27 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3bib s ASN 28 N -4.42 5.86 0.20 0.55 0.02 0.24 -4.41 114.94 112.99 3bib s ASN 28 Ca -0.08 -0.12 -0.21 0.00 -1.02 0.00 0.00 52.86 51.43 3bib s ASN 28 Cb 0.03 -1.59 0.04 0.00 0.02 0.00 0.00 41.25 39.75 3bib s ASN 28 CO 0.30 -0.06 0.62 -0.94 0.02 0.00 0.00 177.10 177.03 3bib s SER 29 N -3.91 -0.40 0.19 -1.22 1.04 -1.22 -3.26 113.70 104.92 3bib s SER 29 Ca 0.34 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 3bib s SER 29 Cb -0.08 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3bib s SER 29 CO 0.27 -1.10 0.40 0.00 0.98 0.00 0.00 173.24 173.78 3bib s MET 30 N -3.83 1.29 0.01 4.02 0.23 -1.24 0.17 119.30 119.95 3bib s MET 30 Ca 0.06 -1.07 -0.09 0.00 -1.03 0.00 0.00 55.69 53.57 3bib s MET 30 Cb -0.02 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 3bib s MET 30 CO -0.05 -0.51 0.17 0.00 -2.03 0.00 0.00 175.02 172.60 3bib s TRP 32 N -1.77 2.94 0.05 0.00 0.52 -0.04 -1.12 118.94 119.52 3bib s TRP 32 Ca -0.11 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 3bib s TRP 32 Cb -0.05 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 3bib s TRP 32 CO 0.00 0.36 0.00 0.20 0.02 0.00 0.00 176.95 177.53 3bib s GLY 33 N -1.05 0.40 0.06 0.98 0.00 0.06 -0.35 107.32 107.42 3bib s GLY 33 Ca 0.14 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 43.54 3bib s GLY 33 CO 0.04 -1.22 0.67 1.25 0.00 0.00 0.00 173.10 173.84 3bib s LYS 34 N -3.84 4.39 0.00 2.90 2.47 -0.93 0.02 119.74 124.75 3bib s LYS 34 Ca 0.06 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 3bib s LYS 34 Cb 0.07 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 3bib s LYS 34 CO -0.10 0.45 0.00 0.41 0.16 0.00 0.00 175.35 176.27 3bib n GLY 35 N 2.08 -0.18 3.73 5.54 0.00 0.55 -4.48 105.19 112.44 3bib n GLY 35 Ca -0.06 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 3bib n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bib s SER 36 N -2.06 4.63 0.12 1.61 1.04 -1.26 -2.70 113.70 115.07 3bib s SER 36 Ca 0.00 2.56 -0.32 0.00 0.48 0.00 0.00 55.95 58.67 3bib s SER 36 Cb 0.00 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.39 3bib s SER 36 CO 0.00 -1.98 1.80 0.00 0.98 0.00 0.00 173.24 174.04 3bib s PRO 38 N 2.49 1.59 0.33 0.00 0.04 -1.26 -4.97 135.00 133.22 3bib s PRO 38 Ca 0.82 -0.33 0.06 0.00 0.04 0.00 0.00 61.00 61.60 3bib s PRO 38 Cb -0.53 -2.04 0.73 0.00 0.04 0.00 0.00 34.50 32.70 3bib s PRO 38 CO 0.38 -1.71 1.85 -0.91 0.04 0.00 0.00 177.00 176.65 3bib h ASN 39 N -1.02 0.76 -3.73 6.66 -0.26 -2.04 -3.42 115.58 112.53 3bib h ASN 39 Ca -0.44 0.05 -0.49 0.00 -0.56 0.00 0.00 56.30 54.86 3bib h ASN 39 Cb 1.29 -0.10 -0.32 0.00 -1.06 0.00 0.00 38.32 38.13 3bib h ASN 39 CO 0.52 0.38 -0.81 -0.55 -1.06 0.00 0.00 177.43 175.91 3bib s SER 40 N -5.71 1.65 0.99 5.81 0.15 -1.26 -5.09 113.70 110.24 3bib s SER 40 Ca -0.11 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3bib s SER 40 Cb 0.22 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3bib s SER 40 CO 0.80 0.08 0.00 0.29 1.20 0.00 0.00 173.24 175.61 3bib n LYS 41 N 3.41 0.00 -4.79 5.44 5.02 -1.26 -4.71 118.16 121.26 3bib n LYS 41 Ca -0.20 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.76 3bib n LYS 41 Cb 0.53 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.40 3bib n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bib s ASN 43 N 0.28 6.85 -1.36 0.00 0.01 -1.26 -4.09 114.94 115.37 3bib s ASN 43 Ca -0.10 1.85 -0.11 0.00 -0.71 0.00 0.00 52.86 53.79 3bib s ASN 43 Cb -0.16 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.95 3bib s ASN 43 CO 0.05 -0.42 0.41 0.00 -1.51 0.00 0.00 177.10 175.64 3bib n ALA 44 N -0.34 -2.23 -1.69 0.60 0.00 -1.26 -2.66 120.51 112.93 3bib n ALA 44 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3bib n ALA 44 Cb 0.52 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 3bib n ALA 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3bib n GLU 45 N -4.57 2.13 -0.01 0.00 2.13 -1.26 -2.19 120.64 116.88 3bib n GLU 45 Ca -0.24 0.75 0.04 0.00 0.66 0.00 0.00 57.16 58.38 3bib n GLU 45 Cb 0.65 -2.38 -0.07 0.00 0.27 0.00 0.00 31.44 29.90 3bib n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3bib n LEU 46 N 1.52 0.00 -3.64 4.31 4.77 0.52 -4.64 117.00 119.84 3bib n LEU 46 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3bib n LEU 46 Cb 0.34 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3bib n LEU 46 CO 0.63 0.01 1.00 -0.22 -1.33 0.00 0.00 177.39 177.48 3bib s LEU 47 N -3.72 -0.20 -0.01 2.23 0.20 -1.20 -0.89 118.68 115.10 3bib s LEU 47 Ca -0.04 0.37 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 3bib s LEU 47 Cb 0.06 1.40 -0.00 0.00 -0.43 0.00 0.00 46.19 47.22 3bib s LEU 47 CO 0.40 -0.08 0.02 -0.60 -0.29 0.00 0.00 176.35 175.80 3bib s ARG 48 N -0.02 0.07 0.33 1.98 3.52 -0.19 -0.86 118.95 123.78 3bib s ARG 48 Ca 0.06 -0.05 0.09 0.00 -0.13 0.00 0.00 55.73 55.70 3bib s ARG 48 Cb -0.05 0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 33.32 3bib s ARG 48 CO -0.11 -0.01 0.01 0.95 -0.81 0.00 0.00 175.30 175.33 3bib s THR 49 N -0.19 2.75 0.00 4.11 -4.23 -0.32 -0.96 115.64 116.80 3bib s THR 49 Ca -0.02 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3bib s THR 49 Cb -0.01 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3bib s THR 49 CO -0.00 -0.23 0.00 -0.90 -0.54 0.00 0.00 174.62 172.95 3bib n ASP 50 N -0.95 0.00 0.12 3.99 5.68 -0.49 -3.68 116.55 121.23 3bib n ASP 50 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.24 3bib n ASP 50 Cb 0.62 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.66 3bib n ASP 50 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3bib h GLY 51 N 0.00 0.00 0.00 6.12 0.00 -1.68 -3.39 103.07 104.12 3bib h GLY 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3bib h GLY 51 CO 0.00 0.00 -1.09 -1.30 0.00 0.00 0.00 176.54 174.15 3bib n THR 52 N -3.41 0.09 -3.94 4.70 -2.24 -1.26 -4.10 114.28 104.12 3bib n THR 52 Ca 0.00 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3bib n THR 52 Cb 0.74 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 3bib n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bib s ARG 53 N -2.03 1.29 0.06 -0.78 1.70 -1.26 -4.01 118.95 113.92 3bib s ARG 53 Ca -0.01 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 53.78 3bib s ARG 53 Cb 0.00 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 3bib s ARG 53 CO 0.05 -0.50 1.73 0.42 -1.08 0.00 0.00 175.30 175.92 3bib s ILE 54 N -3.97 2.98 -0.48 4.99 1.01 -1.26 -1.40 121.20 123.07 3bib s ILE 54 Ca 0.18 0.36 0.14 0.00 0.00 0.00 0.00 60.65 61.33 3bib s ILE 54 Cb 0.02 -3.23 -0.17 0.00 0.01 0.00 0.00 42.46 39.08 3bib s ILE 54 CO 0.02 -0.01 0.52 2.30 0.00 0.00 0.00 174.94 177.77 3bib n ILE 55 N 4.91 0.00 -3.53 2.92 -5.35 -0.13 -4.91 119.36 113.27 3bib n ILE 55 Ca 0.17 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.26 3bib n ILE 55 Cb 0.40 0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 39.00 3bib n ILE 55 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3bib s SER 56 N -2.72 -0.64 -0.27 7.28 0.15 -0.99 -5.01 113.70 111.51 3bib s SER 56 Ca 0.02 0.70 -0.23 0.00 0.70 0.00 0.00 55.95 57.14 3bib s SER 56 Cb 0.10 0.53 0.08 0.00 -1.71 0.00 0.00 66.02 65.02 3bib s SER 56 CO 0.59 -0.58 0.74 -0.60 1.20 0.00 0.00 173.24 174.58 3bib s ARG 57 N -1.16 0.78 0.30 5.44 3.52 -1.26 -1.03 118.95 125.54 3bib s ARG 57 Ca -0.10 1.01 0.02 0.00 -0.13 0.00 0.00 55.73 56.53 3bib s ARG 57 Cb -0.00 0.34 0.46 0.00 -1.56 0.00 0.00 34.95 34.19 3bib s ARG 57 CO 0.09 -0.11 1.79 -0.22 -0.81 0.00 0.00 175.30 176.04 3bib h LYS 58 N 5.38 0.58 -1.16 5.12 1.63 -1.28 -3.48 116.57 123.37 3bib h LYS 58 Ca -0.29 -0.16 0.38 0.00 -0.85 0.00 0.00 60.65 59.72 3bib h LYS 58 Cb 1.18 -0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 32.61 3bib h LYS 58 CO 0.08 0.67 0.95 -1.54 -3.45 0.00 0.00 179.45 176.16 3bib s SER 59 N -6.74 -0.02 0.00 4.20 1.04 -1.26 -5.02 113.70 105.91 3bib s SER 59 Ca -0.08 -0.04 0.16 0.00 0.48 0.00 0.00 55.95 56.47 3bib s SER 59 Cb 0.15 0.05 0.93 0.00 0.10 0.00 0.00 66.02 67.25 3bib s SER 59 CO 0.79 -0.09 1.36 0.35 0.98 0.00 0.00 173.24 176.63 3bib n THR 60 N -0.51 0.00 0.31 2.02 -2.24 -1.26 -2.15 114.28 110.45 3bib n THR 60 Ca -0.09 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 3bib n THR 60 Cb 0.64 -0.61 0.54 0.00 -2.10 0.00 0.00 70.33 68.80 3bib n THR 60 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3bib h LYS 61 N 0.00 0.00 -5.54 -0.78 3.64 -1.94 -3.44 116.57 108.51 3bib h LYS 61 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 3bib h LYS 61 Cb 0.00 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 31.54 3bib h LYS 61 CO 0.00 0.00 -0.81 0.71 -2.27 0.00 0.00 179.45 177.08 3bib s TYR 62 N -3.49 2.69 0.25 1.91 2.02 -0.91 -0.70 117.35 119.12 3bib s TYR 62 Ca 0.03 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 55.90 3bib s TYR 62 Cb 0.08 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 3bib s TYR 62 CO 0.55 -0.21 0.53 -0.08 -1.57 0.00 0.00 175.55 174.76 3bib s THR 63 N 0.15 0.00 -0.21 -0.71 -1.32 -0.56 -4.88 115.64 108.11 3bib s THR 63 Ca -0.09 -1.31 -0.02 0.00 -1.21 0.00 0.00 61.69 59.06 3bib s THR 63 Cb -0.15 -2.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 3bib s THR 63 CO 0.06 -0.01 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.60 3bib s LEU 64 N -2.99 2.61 0.06 9.08 1.02 -1.26 -0.43 118.68 126.76 3bib s LEU 64 Ca 0.20 -0.49 0.12 0.00 0.02 0.00 0.00 54.13 53.97 3bib s LEU 64 Cb -0.02 -1.64 -0.17 0.00 0.02 0.00 0.00 46.19 44.38 3bib s LEU 64 CO 0.08 -0.01 0.96 -0.07 0.02 0.00 0.00 176.35 177.33 3bib h LEU 65 N 8.05 0.00 0.00 1.79 3.38 -1.89 -3.48 115.31 123.16 3bib h LEU 65 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3bib h LEU 65 Cb 1.15 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.92 3bib h LEU 65 CO 0.62 0.87 0.04 0.61 0.09 0.00 0.00 178.44 180.66 3bib n GLY 66 N 1.43 -0.81 3.56 0.83 0.00 -1.26 -5.04 105.19 103.90 3bib n GLY 66 Ca -0.08 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3bib n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bib s LYS 67 N -3.19 3.64 0.20 1.61 -0.14 -1.25 -4.96 119.74 115.65 3bib s LYS 67 Ca 0.08 -0.19 -0.09 0.00 -1.36 0.00 0.00 55.97 54.41 3bib s LYS 67 Cb -0.00 -3.80 0.12 0.00 -1.68 0.00 0.00 37.83 32.48 3bib s LYS 67 CO 0.06 -0.59 1.74 0.28 -0.76 0.00 0.00 175.35 176.07 3bib h VAL 68 N 5.58 1.26 -0.75 3.17 2.07 -1.77 -1.35 116.25 124.46 3bib h VAL 68 Ca -0.28 -0.89 0.22 0.00 0.82 0.00 0.00 66.70 66.56 3bib h VAL 68 Cb 1.13 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3bib h VAL 68 CO 0.75 0.35 0.57 0.06 0.02 0.00 0.00 177.57 179.32 3bib h GLN 69 N 1.07 0.00 -0.35 1.57 3.07 -1.71 -0.29 115.11 118.47 3bib h GLN 69 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 3bib h GLN 69 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 3bib h GLN 69 CO -0.01 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.10 3bib n PHE 70 N -4.20 1.11 -1.64 0.06 0.99 -1.02 -4.57 117.46 108.19 3bib n PHE 70 Ca 0.15 -0.79 -0.10 0.00 -0.00 0.00 0.00 57.45 56.71 3bib n PHE 70 Cb 0.85 -0.31 -0.03 0.00 -1.00 0.00 0.00 39.48 38.99 3bib n PHE 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bib n GLY 71 N -0.09 0.70 3.45 1.37 0.00 -0.12 -4.68 105.19 105.81 3bib n GLY 71 Ca 0.22 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 3bib n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bib s GLU 72 N -3.49 3.78 -0.21 1.61 2.02 -0.54 -1.06 118.70 120.82 3bib s GLU 72 Ca 0.00 -2.10 0.12 0.00 0.02 0.00 0.00 54.97 53.00 3bib s GLU 72 Cb 0.00 -4.93 0.41 0.00 0.10 0.00 0.00 34.13 29.71 3bib s GLU 72 CO 0.00 -1.73 1.22 1.33 0.02 0.00 0.00 175.26 176.10 3bib n VAL 73 N 5.06 2.19 -1.98 2.63 0.24 -0.89 -3.78 118.33 121.80 3bib n VAL 73 Ca 0.28 -3.16 -0.41 0.00 -2.04 0.00 0.00 64.34 59.00 3bib n VAL 73 Cb 0.47 -0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 3bib n VAL 73 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3bib s SER 74 N -3.19 6.62 -0.08 -1.34 0.01 -1.02 -4.55 113.70 110.15 3bib s SER 74 Ca 0.38 2.68 -0.21 0.00 1.31 0.00 0.00 55.95 60.12 3bib s SER 74 Cb 0.36 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 3bib s SER 74 CO -0.06 -0.73 0.58 -0.22 0.41 0.00 0.00 173.24 173.22 3bib s LEU 75 N -0.21 4.32 -0.18 2.44 2.96 -0.20 -4.30 118.68 123.52 3bib s LEU 75 Ca 0.61 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 3bib s LEU 75 Cb -0.43 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 3bib s LEU 75 CO 0.42 -0.02 0.01 -0.89 -1.32 0.00 0.00 176.35 174.55 3bib s THR 76 N 0.51 4.22 -0.24 3.68 2.01 0.42 -0.20 115.64 126.04 3bib s THR 76 Ca 0.31 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3bib s THR 76 Cb -0.17 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.47 3bib s THR 76 CO 0.15 0.46 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 3bib s ILE 77 N 0.58 3.01 0.53 1.82 1.01 -0.22 -1.50 121.20 126.43 3bib s ILE 77 Ca -0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 3bib s ILE 77 Cb -0.14 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.80 3bib s ILE 77 CO 0.02 0.27 1.09 -0.44 0.00 0.00 0.00 174.94 175.88 3bib s SER 78 N 1.37 5.94 -0.95 3.58 0.01 0.12 -1.81 113.70 121.97 3bib s SER 78 Ca 0.02 2.06 -0.11 0.00 1.31 0.00 0.00 55.95 59.22 3bib s SER 78 Cb -0.16 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.52 3bib s SER 78 CO -0.04 -1.06 0.65 -3.20 0.41 0.00 0.00 173.24 169.99 3bib n ASN 79 N -1.25 -4.91 -4.76 2.44 5.15 -1.25 -4.82 115.26 105.86 3bib n ASN 79 Ca 0.11 -1.00 -0.38 0.00 -0.60 0.00 0.00 54.58 52.70 3bib n ASN 79 Cb 0.52 -2.07 0.01 0.00 -0.53 0.00 0.00 39.78 37.71 3bib n ASN 79 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3bib s THR 80 N -3.17 2.61 0.40 -0.44 -4.23 -0.85 -4.71 115.64 105.25 3bib s THR 80 Ca 0.17 0.50 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 3bib s THR 80 Cb -0.09 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 3bib s THR 80 CO 0.90 0.03 0.08 0.54 -0.54 0.00 0.00 174.62 175.63 3bib s ASN 81 N -0.98 2.95 0.37 3.99 2.20 -1.26 -1.10 114.94 121.12 3bib s ASN 81 Ca 0.63 -1.56 0.05 0.00 -0.94 0.00 0.00 52.86 51.04 3bib s ASN 81 Cb -0.36 0.27 0.74 0.00 -2.00 0.00 0.00 41.25 39.90 3bib s ASN 81 CO 0.44 -0.79 1.99 0.03 -2.94 0.00 0.00 177.10 175.84 3bib h ARG 82 N 1.81 0.72 0.00 3.55 3.08 -1.99 -0.38 114.38 121.18 3bib h ARG 82 Ca -0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3bib h ARG 82 Cb 1.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3bib h ARG 82 CO 0.65 0.48 0.00 0.41 -1.07 0.00 0.00 179.97 180.44 3bib n GLY 83 N -1.45 -0.97 0.07 0.04 0.00 -1.26 -1.78 105.19 99.84 3bib n GLY 83 Ca 0.08 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3bib n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bib n ASP 84 N -2.21 0.60 -4.71 1.61 8.00 -0.15 -4.89 116.55 114.80 3bib n ASP 84 Ca -0.00 0.44 -0.34 0.00 0.71 0.00 0.00 54.79 55.60 3bib n ASP 84 Cb 0.09 -0.51 0.11 0.00 -0.02 0.00 0.00 41.12 40.78 3bib n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bib s SER 85 N -4.06 3.99 0.00 -2.24 0.01 -0.73 -4.89 113.70 105.78 3bib s SER 85 Ca 0.11 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.70 3bib s SER 85 Cb 0.14 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3bib s SER 85 CO 0.61 -2.40 0.00 0.61 0.41 0.00 0.00 173.24 172.47 3bib n GLY 86 N 0.35 0.22 3.78 3.44 0.00 -0.46 -4.95 105.19 107.57 3bib n GLY 86 Ca 0.13 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 3bib n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bib s VAL 87 N 0.00 4.29 0.11 1.61 1.01 -1.26 -0.50 120.40 125.66 3bib s VAL 87 Ca 0.00 1.77 0.09 0.00 0.00 0.00 0.00 61.98 63.83 3bib s VAL 87 Cb 0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3bib s VAL 87 CO 0.00 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 174.98 3bib s TYR 88 N -1.29 1.86 -0.21 5.22 1.51 0.89 -0.33 117.35 125.00 3bib s TYR 88 Ca 0.41 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 3bib s TYR 88 Cb -0.22 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 3bib s TYR 88 CO 0.27 0.23 0.00 0.00 -1.11 0.00 0.00 175.55 174.94 3bib s ARG 91 N 0.99 1.37 -0.25 0.00 3.52 -0.27 -1.40 118.95 122.90 3bib s ARG 91 Ca 0.04 -0.91 -0.26 0.00 -0.13 0.00 0.00 55.73 54.48 3bib s ARG 91 Cb -0.14 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 3bib s ARG 91 CO 0.03 -0.64 0.88 0.42 -0.81 0.00 0.00 175.30 175.18 3bib s ILE 92 N 1.49 4.78 -0.15 4.11 -1.09 -0.35 -1.95 121.20 128.03 3bib s ILE 92 Ca -0.03 1.62 -0.23 0.00 -2.23 0.00 0.00 60.65 59.78 3bib s ILE 92 Cb -0.18 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 3bib s ILE 92 CO -0.08 -0.14 0.73 -1.61 -1.23 0.00 0.00 174.94 172.61 3bib s GLU 93 N 2.98 4.30 -0.07 2.79 2.02 0.13 -1.49 118.70 129.35 3bib s GLU 93 Ca 0.37 0.85 0.05 0.00 0.02 0.00 0.00 54.97 56.26 3bib s GLU 93 Cb -0.15 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 3bib s GLU 93 CO 0.08 -0.20 -0.23 0.08 0.02 0.00 0.00 175.26 175.01 3bib s VAL 94 N 1.73 2.21 0.45 2.63 1.01 -1.26 -3.42 120.40 123.75 3bib s VAL 94 Ca 0.35 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3bib s VAL 94 Cb -0.17 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 3bib s VAL 94 CO 0.13 0.57 1.41 -2.84 0.00 0.00 0.00 175.10 174.37 3bib s PRO 95 N -0.03 3.69 0.00 2.72 0.02 -1.26 -4.66 135.00 135.47 3bib s PRO 95 Ca -0.07 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3bib s PRO 95 Cb -0.15 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3bib s PRO 95 CO 0.05 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 3bib n GLY 96 N 0.59 -2.46 3.67 0.52 0.00 -1.26 -4.98 105.19 101.26 3bib n GLY 96 Ca 0.05 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 3bib n GLY 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bib s TRP 97 N -0.76 3.17 -1.67 1.61 0.52 -1.26 -4.63 118.94 115.92 3bib s TRP 97 Ca 0.00 0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.25 3bib s TRP 97 Cb 0.00 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 3bib s TRP 97 CO 0.00 0.40 0.23 1.19 0.02 0.00 0.00 176.95 178.79 3bib n PHE 98 N 2.40 -1.39 -0.54 -1.98 3.72 -1.26 -4.90 117.46 113.51 3bib n PHE 98 Ca -0.18 0.20 0.01 0.00 -0.05 0.00 0.00 57.45 57.43 3bib n PHE 98 Cb 0.53 -4.12 0.01 0.00 -0.94 0.00 0.00 39.48 34.97 3bib n PHE 98 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3bib n ASN 99 N -2.20 1.25 -4.77 4.37 6.94 -1.26 -5.07 115.26 114.52 3bib n ASN 99 Ca -0.19 -1.76 -0.41 0.00 -0.02 0.00 0.00 54.58 52.20 3bib n ASN 99 Cb 0.66 -0.05 -0.01 0.00 -2.36 0.00 0.00 39.78 38.02 3bib n ASN 99 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3bib s ASP 100 N -0.83 6.36 -0.50 0.53 1.11 -1.26 -4.71 116.67 117.36 3bib s ASP 100 Ca 0.03 3.00 -0.28 0.00 0.18 0.00 0.00 52.55 55.48 3bib s ASP 100 Cb 0.02 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.39 3bib s ASP 100 CO 0.00 -0.89 1.08 -0.69 1.18 0.00 0.00 175.17 175.85 3bib s VAL 101 N -0.62 4.24 -0.12 -1.27 1.01 -0.56 -4.94 120.40 118.14 3bib s VAL 101 Ca 0.57 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 3bib s VAL 101 Cb -0.47 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 3bib s VAL 101 CO 0.56 -1.05 0.05 -0.54 0.00 0.00 0.00 175.10 174.12 3bib s LYS 102 N 4.35 3.39 -0.07 2.72 1.02 -1.26 -1.21 119.74 128.68 3bib s LYS 102 Ca 0.43 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 3bib s LYS 102 Cb -0.08 -3.01 0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3bib s LYS 102 CO 0.28 0.59 0.17 0.21 -0.92 0.00 0.00 175.35 175.68 3bib s LYS 103 N -0.53 0.13 -0.16 1.68 2.20 -0.49 -5.03 119.74 117.54 3bib s LYS 103 Ca 0.10 0.38 -0.09 0.00 -0.36 0.00 0.00 55.97 56.00 3bib s LYS 103 Cb -0.12 -0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 3bib s LYS 103 CO 0.02 -0.14 0.16 -0.80 -0.36 0.00 0.00 175.35 174.23 3bib s ASN 104 N 1.01 6.32 -0.10 1.43 0.02 -1.26 -1.18 114.94 121.18 3bib s ASN 104 Ca -0.08 0.38 0.01 0.00 -1.02 0.00 0.00 52.86 52.15 3bib s ASN 104 Cb -0.10 -2.09 0.02 0.00 0.02 0.00 0.00 41.25 39.10 3bib s ASN 104 CO -0.06 0.28 -0.11 -0.69 0.02 0.00 0.00 177.10 176.54 3bib s VAL 105 N -0.27 1.23 0.01 1.60 1.01 -0.17 -4.51 120.40 119.30 3bib s VAL 105 Ca 0.12 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3bib s VAL 105 Cb -0.12 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 3bib s VAL 105 CO 0.02 0.39 0.57 -0.60 0.00 0.00 0.00 175.10 175.48 3bib s ARG 106 N 1.24 4.26 -0.20 2.72 3.52 -0.64 -0.07 118.95 129.78 3bib s ARG 106 Ca -0.03 0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 56.27 3bib s ARG 106 Cb -0.14 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3bib s ARG 106 CO -0.04 0.45 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.59 3bib s LEU 107 N -0.43 2.54 -0.04 -0.88 2.96 0.35 -0.73 118.68 122.44 3bib s LEU 107 Ca 0.30 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3bib s LEU 107 Cb -0.18 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3bib s LEU 107 CO 0.17 -0.03 0.04 -0.70 -1.32 0.00 0.00 176.35 174.50 3bib s GLU 108 N 1.33 3.00 -0.03 1.98 2.12 -0.03 -1.36 118.70 125.71 3bib s GLU 108 Ca 0.04 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.96 3bib s GLU 108 Cb -0.14 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 3bib s GLU 108 CO -0.09 0.67 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.61 3bib s LEU 109 N -1.34 1.98 0.21 2.70 1.43 -1.26 -1.66 118.68 120.74 3bib s LEU 109 Ca 0.18 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 3bib s LEU 109 Cb -0.12 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 3bib s LEU 109 CO 0.08 0.19 -0.22 -0.13 0.23 0.00 0.00 176.35 176.51 3bib s ARG 110 N -0.19 1.60 0.30 1.70 0.52 -0.35 -4.91 118.95 117.62 3bib s ARG 110 Ca 0.01 -1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 53.37 3bib s ARG 110 Cb -0.10 -1.86 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 3bib s ARG 110 CO 0.01 0.39 1.25 1.03 0.02 0.00 0.00 175.30 178.00 3bib s ARG 111 N -2.86 4.44 0.00 3.54 1.81 -1.26 -1.27 118.95 123.35 3bib s ARG 111 Ca 0.23 2.08 0.28 0.00 -1.72 0.00 0.00 55.73 56.60 3bib s ARG 111 Cb -0.07 -3.12 1.68 0.00 -0.45 0.00 0.00 34.95 32.98 3bib s ARG 111 CO 0.11 -0.09 2.02 0.00 -0.68 0.00 0.00 175.30 176.67