#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doz n SER 10 N 0.00 0.04 -3.98 1.08 2.88 -1.26 -4.83 113.62 107.55 3doz n SER 10 Ca 0.00 -0.43 -0.28 0.00 -1.33 0.00 0.00 58.87 56.83 3doz n SER 10 Cb 0.00 0.87 -0.17 0.00 -0.75 0.00 0.00 64.21 64.16 3doz n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3doz s GLN 11 N -0.87 1.90 -0.01 -1.46 -0.21 -1.26 -2.51 119.66 115.23 3doz s GLN 11 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 55.36 55.01 3doz s GLN 11 Cb 0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 3doz s GLN 11 CO 0.00 -0.20 -0.15 -0.06 -2.12 0.00 0.00 175.29 172.76 3doz s PHE 12 N 1.44 1.30 0.43 0.91 0.40 -0.50 -5.00 117.98 116.96 3doz s PHE 12 Ca 0.02 -0.25 0.08 0.00 -0.60 0.00 0.00 56.93 56.18 3doz s PHE 12 Cb -0.13 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.56 3doz s PHE 12 CO -0.07 -0.02 0.47 -0.06 0.70 0.00 0.00 175.22 176.23 3doz s PHE 13 N -0.33 2.62 0.34 0.36 0.40 -1.26 -0.74 117.98 119.37 3doz s PHE 13 Ca 0.05 -0.49 0.13 0.00 -0.60 0.00 0.00 56.93 56.03 3doz s PHE 13 Cb -0.06 -2.24 1.08 0.00 0.51 0.00 0.00 43.02 42.31 3doz s PHE 13 CO -0.01 -0.30 1.63 0.97 0.70 0.00 0.00 175.22 178.22 3doz h ILE 14 N 0.83 0.21 -0.36 0.64 6.09 -1.89 0.40 117.51 123.43 3doz h ILE 14 Ca -0.40 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3doz h ILE 14 Cb 1.27 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 3doz h ILE 14 CO 0.52 0.04 0.24 1.05 -3.07 0.00 0.00 178.15 176.93 3doz h GLU 15 N 0.20 0.48 -0.06 2.19 9.09 -1.95 -0.07 114.58 124.46 3doz h GLU 15 Ca 0.73 -0.03 -0.11 0.00 0.05 0.00 0.00 59.36 60.00 3doz h GLU 15 Cb 1.71 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 28.70 3doz h GLU 15 CO -0.68 0.32 -0.39 0.45 0.05 0.00 0.00 179.01 178.76 3doz h HIS 16 N 0.49 0.50 -0.79 2.06 3.86 -0.58 -3.12 115.15 117.58 3doz h HIS 16 Ca 0.13 -0.23 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3doz h HIS 16 Cb -0.05 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.28 3doz h HIS 16 CO 0.00 1.00 0.47 0.82 0.86 0.00 0.00 177.93 181.08 3doz h ILE 17 N -0.13 1.00 0.00 2.45 2.04 -1.05 -1.37 117.51 120.45 3doz h ILE 17 Ca -0.03 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3doz h ILE 17 Cb 1.06 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3doz h ILE 17 CO 0.08 0.16 -0.01 -0.07 0.00 0.00 0.00 178.15 178.30 3doz h LEU 18 N 0.85 0.00 0.00 1.44 3.38 -1.01 0.36 115.31 120.33 3doz h LEU 18 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3doz h LEU 18 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3doz h LEU 18 CO -0.19 0.01 -0.67 0.00 0.09 0.00 0.00 178.44 177.68 3doz n GLN 19 N -3.66 0.08 -0.08 1.13 6.02 -0.54 -4.42 117.38 115.90 3doz n GLN 19 Ca -0.03 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.83 3doz n GLN 19 Cb 0.10 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 29.75 3doz n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3doz n ILE 20 N -1.63 0.92 -3.42 5.09 2.08 -0.46 -4.53 119.36 117.41 3doz n ILE 20 Ca 0.04 -0.30 -0.37 0.00 0.56 0.00 0.00 62.75 62.68 3doz n ILE 20 Cb 0.36 -1.37 -0.06 0.00 -0.75 0.00 0.00 39.64 37.82 3doz n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3doz s LEU 21 N -6.39 4.46 0.41 1.39 1.43 0.11 -4.83 118.68 115.27 3doz s LEU 21 Ca -0.23 1.05 0.23 0.00 -1.03 0.00 0.00 54.13 54.16 3doz s LEU 21 Cb 0.07 -2.82 0.31 0.00 0.03 0.00 0.00 46.19 43.78 3doz s LEU 21 CO 0.34 0.26 1.55 1.55 0.23 0.00 0.00 176.35 180.28 3doz h PRO 22 N 4.37 0.00 -6.65 1.29 0.13 -1.88 -3.44 132.00 125.82 3doz h PRO 22 Ca -0.50 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 3doz h PRO 22 Cb 1.21 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.49 3doz h PRO 22 CO 0.63 0.00 0.06 0.72 -0.23 0.00 0.00 178.00 179.18 3doz n HIS 23 N -3.04 0.79 -4.13 1.56 8.25 -1.26 -5.01 115.22 112.37 3doz n HIS 23 Ca 0.04 0.52 -0.13 0.00 -0.26 0.00 0.00 57.72 57.89 3doz n HIS 23 Cb 0.53 -2.16 -0.07 0.00 1.12 0.00 0.00 29.99 29.41 3doz n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3doz s ARG 24 N -2.17 1.55 0.21 -0.41 1.81 -1.26 -4.67 118.95 114.00 3doz s ARG 24 Ca 0.67 -1.61 -0.32 0.00 -1.72 0.00 0.00 55.73 52.75 3doz s ARG 24 Cb -0.51 0.38 -0.14 0.00 -0.45 0.00 0.00 34.95 34.22 3doz s ARG 24 CO 0.54 -0.59 1.34 0.98 -0.68 0.00 0.00 175.30 176.89 3doz n TYR 25 N -0.42 1.88 -1.64 -0.53 4.19 -1.26 0.88 117.16 120.25 3doz n TYR 25 Ca 0.01 0.50 -0.35 0.00 3.31 0.00 0.00 57.90 61.38 3doz n TYR 25 Cb 0.63 -2.41 0.06 0.00 0.49 0.00 0.00 39.34 38.11 3doz n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3doz n PRO 26 N 2.07 2.86 0.00 2.98 -0.04 -1.26 -4.92 135.00 136.70 3doz n PRO 26 Ca 0.13 -3.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.06 3doz n PRO 26 Cb 0.29 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3doz n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3doz n MET 27 N -0.77 0.66 -2.95 0.54 2.81 0.25 -4.94 117.12 112.74 3doz n MET 27 Ca 0.57 -0.83 -0.43 0.00 -1.81 0.00 0.00 57.70 55.20 3doz n MET 27 Cb 0.58 -0.92 -0.05 0.00 -0.71 0.00 0.00 33.22 32.13 3doz n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3doz s LEU 28 N -0.37 4.30 -0.43 4.03 2.96 -1.03 -4.64 118.68 123.50 3doz s LEU 28 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3doz s LEU 28 Cb 0.00 -2.84 0.48 0.00 0.50 0.00 0.00 46.19 44.33 3doz s LEU 28 CO 0.00 -1.03 1.57 0.18 -1.32 0.00 0.00 176.35 175.75 3doz n LEU 29 N 6.92 5.79 -3.67 -0.68 4.77 -1.26 -4.91 117.00 123.95 3doz n LEU 29 Ca 0.01 -4.35 -0.16 0.00 -0.03 0.00 0.00 56.01 51.48 3doz n LEU 29 Cb 0.47 -0.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.77 3doz n LEU 29 CO 0.60 1.67 -0.21 -0.69 -1.33 0.00 0.00 177.39 177.44 3doz s VAL 30 N -4.34 -0.28 -0.10 4.08 1.01 -1.26 -4.66 120.40 114.85 3doz s VAL 30 Ca 0.55 0.32 0.14 0.00 0.00 0.00 0.00 61.98 62.98 3doz s VAL 30 Cb 0.45 -0.33 -0.24 0.00 0.00 0.00 0.00 36.38 36.26 3doz s VAL 30 CO 0.02 0.13 0.44 0.47 0.00 0.00 0.00 175.10 176.16 3doz n ASP 31 N 5.21 0.62 -3.48 3.32 8.00 -0.25 -4.94 116.55 125.03 3doz n ASP 31 Ca -0.07 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 3doz n ASP 31 Cb 0.50 0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 3doz n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3doz s ARG 32 N -2.56 1.10 -0.20 -1.24 3.52 -1.09 -2.92 118.95 115.56 3doz s ARG 32 Ca -0.07 -0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3doz s ARG 32 Cb 0.07 0.51 0.03 0.00 -1.56 0.00 0.00 34.95 34.01 3doz s ARG 32 CO 0.82 -0.42 -0.16 0.42 -0.81 0.00 0.00 175.30 175.15 3doz s ILE 33 N -2.42 2.01 -0.13 4.11 1.01 0.08 -1.00 121.20 124.87 3doz s ILE 33 Ca -0.04 -1.10 0.18 0.00 0.00 0.00 0.00 60.65 59.69 3doz s ILE 33 Cb -0.01 -1.92 -0.16 0.00 0.01 0.00 0.00 42.46 40.38 3doz s ILE 33 CO -0.02 0.35 0.71 0.35 0.00 0.00 0.00 174.94 176.33 3doz n THR 34 N 4.59 1.02 -3.79 2.92 -2.24 0.44 -1.41 114.28 115.80 3doz n THR 34 Ca -0.18 -0.68 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 3doz n THR 34 Cb 0.48 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 3doz n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3doz s GLU 35 N -2.98 0.18 -0.15 -0.78 2.02 -0.85 -4.52 118.70 111.62 3doz s GLU 35 Ca -0.04 0.30 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 3doz s GLU 35 Cb 0.09 0.02 0.07 0.00 0.10 0.00 0.00 34.13 34.41 3doz s GLU 35 CO 0.82 -0.07 0.25 -1.17 0.02 0.00 0.00 175.26 175.12 3doz s LEU 36 N 0.43 -0.26 -0.24 1.80 2.96 -1.04 0.11 118.68 122.44 3doz s LEU 36 Ca -0.03 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3doz s LEU 36 Cb -0.04 0.61 0.03 0.00 0.50 0.00 0.00 46.19 47.29 3doz s LEU 36 CO -0.02 -0.26 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.08 3doz s GLN 37 N 2.39 2.76 0.22 1.98 0.74 0.92 -4.66 119.66 124.01 3doz s GLN 37 Ca 0.03 -1.02 -0.31 0.00 0.05 0.00 0.00 55.36 54.11 3doz s GLN 37 Cb -0.13 -2.93 -0.15 0.00 1.10 0.00 0.00 33.01 30.90 3doz s GLN 37 CO -0.09 -0.41 1.08 0.00 -0.55 0.00 0.00 175.29 175.32 3doz n ALA 38 N 4.63 -0.60 -1.23 1.58 0.00 -1.26 -1.04 120.51 122.58 3doz n ALA 38 Ca -0.17 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 3doz n ALA 38 Cb 0.47 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 3doz n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3doz n ASN 39 N 1.71 -5.76 0.01 0.00 3.02 -1.26 -4.58 115.26 108.41 3doz n ASN 39 Ca 0.13 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3doz n ASN 39 Cb 0.28 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 3doz n ASN 39 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3doz n GLN 40 N -0.38 0.00 -3.62 3.52 7.27 -0.68 -4.73 117.38 118.76 3doz n GLN 40 Ca -0.08 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.87 3doz n GLN 40 Cb 0.56 -0.01 -0.05 0.00 2.41 0.00 0.00 30.24 33.15 3doz n GLN 40 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3doz s LYS 41 N -1.11 1.02 -0.02 3.69 -2.85 -0.20 0.09 119.74 120.36 3doz s LYS 41 Ca 0.00 -0.48 -0.06 0.00 -1.00 0.00 0.00 55.97 54.43 3doz s LYS 41 Cb 0.00 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 3doz s LYS 41 CO 0.00 -0.38 0.14 -1.50 0.10 0.00 0.00 175.35 173.71 3doz s ILE 42 N -3.07 0.05 -0.09 3.79 2.07 -0.54 -0.05 121.20 123.36 3doz s ILE 42 Ca -0.02 -0.38 -0.01 0.00 -1.41 0.00 0.00 60.65 58.84 3doz s ILE 42 Cb 0.00 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.29 3doz s ILE 42 CO -0.07 -0.21 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.02 3doz s VAL 43 N -0.71 0.72 0.31 4.00 1.01 0.12 -2.04 120.40 123.80 3doz s VAL 43 Ca -0.08 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3doz s VAL 43 Cb -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3doz s VAL 43 CO 0.01 0.31 0.25 0.00 0.00 0.00 0.00 175.10 175.67 3doz s ALA 44 N 1.68 1.71 0.13 5.51 0.00 -0.58 -0.42 121.76 129.79 3doz s ALA 44 Ca 0.02 -2.00 -0.14 0.00 0.00 0.00 0.00 51.96 49.85 3doz s ALA 44 Cb -0.13 1.46 0.02 0.00 0.00 0.00 0.00 23.12 24.47 3doz s ALA 44 CO -0.06 -0.65 0.35 1.52 0.00 0.00 0.00 175.76 176.93 3doz s TYR 45 N -3.57 -0.05 -0.06 0.00 1.13 -0.17 0.17 117.35 114.80 3doz s TYR 45 Ca 0.40 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.77 3doz s TYR 45 Cb 0.03 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 41.08 3doz s TYR 45 CO 0.25 -0.69 -0.06 0.21 -2.51 0.00 0.00 175.55 172.75 3doz s LYS 46 N -3.84 1.08 0.32 -3.49 2.20 0.08 -1.09 119.74 114.99 3doz s LYS 46 Ca 0.05 -0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 3doz s LYS 46 Cb 0.02 -1.06 -0.10 0.00 -1.51 0.00 0.00 37.83 35.19 3doz s LYS 46 CO -0.10 -0.10 0.97 -0.80 -0.36 0.00 0.00 175.35 174.97 3doz s ASN 47 N 1.04 7.29 -0.16 1.43 0.01 -1.26 -1.09 114.94 122.21 3doz s ASN 47 Ca -0.09 1.92 -0.01 0.00 -0.71 0.00 0.00 52.86 53.97 3doz s ASN 47 Cb -0.14 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 3doz s ASN 47 CO -0.00 -0.10 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.74 3doz s ILE 48 N -1.52 3.05 0.05 0.60 -1.09 0.30 -4.91 121.20 117.68 3doz s ILE 48 Ca 0.49 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 3doz s ILE 48 Cb -0.21 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3doz s ILE 48 CO 0.27 0.50 -0.08 0.28 -1.23 0.00 0.00 174.94 174.68 3doz s THR 49 N 0.73 0.57 0.59 2.92 -1.32 -1.26 0.30 115.64 118.16 3doz s THR 49 Ca -0.05 -1.17 0.29 0.00 -1.21 0.00 0.00 61.69 59.55 3doz s THR 49 Cb -0.15 -0.72 0.35 0.00 -1.51 0.00 0.00 72.50 70.47 3doz s THR 49 CO 0.02 -0.43 2.24 0.15 -2.21 0.00 0.00 174.62 174.39 3doz h PHE 50 N 4.35 0.00 0.00 9.09 3.57 -1.95 -3.00 116.94 128.99 3doz h PHE 50 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3doz h PHE 50 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3doz h PHE 50 CO 0.64 0.00 0.00 -1.71 -2.23 0.00 0.00 178.31 175.01 3doz n ASN 51 N -3.88 1.62 -4.47 0.41 4.05 -1.26 -4.77 115.26 106.96 3doz n ASN 51 Ca -0.03 -1.15 -0.33 0.00 0.45 0.00 0.00 54.58 53.53 3doz n ASN 51 Cb 0.10 -0.29 -0.13 0.00 1.23 0.00 0.00 39.78 40.69 3doz n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3doz s GLU 52 N 0.31 2.95 0.40 1.20 2.02 -1.14 -5.02 118.70 119.42 3doz s GLU 52 Ca 0.00 -0.64 0.16 0.00 0.02 0.00 0.00 54.97 54.52 3doz s GLU 52 Cb 0.00 -2.56 1.04 0.00 0.10 0.00 0.00 34.13 32.71 3doz s GLU 52 CO 0.00 0.47 1.84 0.22 0.02 0.00 0.00 175.26 177.81 3doz h ASP 53 N 5.86 0.45 -0.78 -0.19 3.58 -1.93 -2.12 116.42 121.30 3doz h ASP 53 Ca -0.39 0.05 0.13 0.00 0.42 0.00 0.00 57.03 57.23 3doz h ASP 53 Cb 1.18 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.14 3doz h ASP 53 CO 0.54 0.18 0.51 -0.37 -2.88 0.00 0.00 179.24 177.21 3doz h VAL 54 N 0.45 0.86 0.00 2.25 -1.51 -1.95 -1.73 116.25 114.62 3doz h VAL 54 Ca 0.49 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 3doz h VAL 54 Cb 1.16 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3doz h VAL 54 CO -0.20 0.10 0.00 0.49 -1.23 0.00 0.00 177.57 176.73 3doz n PHE 55 N -4.50 0.74 -0.24 5.19 3.01 -0.80 -2.16 117.46 118.70 3doz n PHE 55 Ca 0.14 0.32 -0.03 0.00 1.01 0.00 0.00 57.45 58.89 3doz n PHE 55 Cb 0.44 -1.01 0.15 0.00 -0.01 0.00 0.00 39.48 39.05 3doz n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3doz h ASN 56 N 0.00 0.96 -0.05 4.37 2.35 -1.47 -3.23 115.58 118.50 3doz h ASN 56 Ca 0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3doz h ASN 56 Cb 0.27 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3doz h ASN 56 CO 0.00 0.82 -0.03 0.61 -1.65 0.00 0.00 177.43 177.18 3doz n GLY 57 N -1.06 4.75 2.67 2.83 0.00 -0.92 -4.07 105.19 109.39 3doz n GLY 57 Ca 0.07 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3doz n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3doz n HIS 58 N -1.24 -3.02 -4.34 1.61 -0.00 -1.02 -4.66 115.22 102.55 3doz n HIS 58 Ca 0.18 -1.94 -0.18 0.00 -0.00 0.00 0.00 57.72 55.78 3doz n HIS 58 Cb 0.70 1.27 -0.10 0.00 -0.00 0.00 0.00 29.99 31.86 3doz n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3doz s PHE 59 N 0.49 1.61 0.06 1.57 0.40 -0.22 -1.48 117.98 120.41 3doz s PHE 59 Ca 0.32 -0.81 -0.33 0.00 -0.60 0.00 0.00 56.93 55.51 3doz s PHE 59 Cb 0.17 -0.89 -0.12 0.00 0.51 0.00 0.00 43.02 42.68 3doz s PHE 59 CO -0.19 0.09 1.75 -2.30 0.70 0.00 0.00 175.22 175.28 3doz n PRO 60 N -0.41 2.30 -1.23 0.24 -0.02 -1.26 -0.89 135.00 133.74 3doz n PRO 60 Ca -0.06 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3doz n PRO 60 Cb 0.63 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3doz n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doz n ASN 61 N 5.16 -5.16 -2.87 2.55 3.02 -1.26 -4.86 115.26 111.84 3doz n ASN 61 Ca 0.19 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.82 3doz n ASN 61 Cb 0.31 -3.35 0.01 0.00 -0.61 0.00 0.00 39.78 36.14 3doz n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3doz n LYS 62 N -1.15 0.72 -1.65 3.52 3.00 -0.06 -5.12 118.16 117.41 3doz n LYS 62 Ca -0.08 -2.14 -0.46 0.00 -0.00 0.00 0.00 58.31 55.63 3doz n LYS 62 Cb 0.46 -1.42 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 3doz n LYS 62 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3doz n PRO 63 N 1.78 2.29 -3.55 1.64 -0.02 -1.21 -1.05 135.00 134.87 3doz n PRO 63 Ca 0.13 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 3doz n PRO 63 Cb 0.60 -2.79 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 3doz n PRO 63 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3doz s ILE 64 N 4.80 -0.34 0.10 4.25 1.01 -0.55 -4.65 121.20 125.82 3doz s ILE 64 Ca 0.94 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 61.31 3doz s ILE 64 Cb -0.60 -0.58 -0.10 0.00 0.01 0.00 0.00 42.46 41.19 3doz s ILE 64 CO 0.47 -0.09 1.82 0.12 0.00 0.00 0.00 174.94 177.26 3doz s PHE 65 N 2.34 2.07 0.16 3.97 5.36 -0.07 -4.56 117.98 127.26 3doz s PHE 65 Ca 0.05 -0.02 -0.34 0.00 -0.96 0.00 0.00 56.93 55.66 3doz s PHE 65 Cb -0.14 -4.15 -0.15 0.00 -0.34 0.00 0.00 43.02 38.24 3doz s PHE 65 CO -0.11 -4.79 1.47 -2.30 -1.46 0.00 0.00 175.22 168.03 3doz n PRO 66 N 5.93 1.85 -0.30 10.12 -0.02 -1.26 -4.56 135.00 146.76 3doz n PRO 66 Ca 0.18 0.66 -0.03 0.00 -2.02 0.00 0.00 63.50 62.29 3doz n PRO 66 Cb 0.39 -2.37 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 3doz n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3doz h GLY 67 N 5.13 1.16 1.61 -1.23 0.00 -1.99 -0.86 103.07 106.90 3doz h GLY 67 Ca -0.45 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 3doz h GLY 67 CO 0.83 0.36 0.14 -0.39 0.00 0.00 0.00 176.54 177.48 3doz h VAL 68 N 1.04 1.14 0.00 4.60 -1.51 -2.00 -1.03 116.25 118.50 3doz h VAL 68 Ca 0.31 -0.45 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 3doz h VAL 68 Cb -0.04 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 3doz h VAL 68 CO -0.10 0.17 -0.43 -0.07 -1.23 0.00 0.00 177.57 175.92 3doz h LEU 69 N 0.51 0.00 -0.02 4.19 3.38 -1.55 -1.28 115.31 120.54 3doz h LEU 69 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3doz h LEU 69 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3doz h LEU 69 CO -0.01 0.43 0.01 0.40 0.09 0.00 0.00 178.44 179.35 3doz h ILE 70 N 0.00 1.16 -0.52 1.22 2.04 -0.45 -1.25 117.51 119.71 3doz h ILE 70 Ca -0.00 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.48 3doz h ILE 70 Cb 0.80 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 3doz h ILE 70 CO 0.06 0.12 0.11 0.58 0.00 0.00 0.00 178.15 179.02 3doz h VAL 71 N -0.16 0.71 -0.86 1.67 2.07 -1.02 -0.11 116.25 118.55 3doz h VAL 71 Ca 0.01 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3doz h VAL 71 Cb 0.19 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3doz h VAL 71 CO -0.00 0.05 0.51 -0.08 0.02 0.00 0.00 177.57 178.07 3doz h GLU 72 N 0.25 0.85 -0.30 1.57 4.57 -0.95 0.23 114.58 120.79 3doz h GLU 72 Ca 0.26 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3doz h GLU 72 Cb 0.35 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3doz h GLU 72 CO -0.33 0.56 -0.24 0.78 -1.18 0.00 0.00 179.01 178.59 3doz h GLY 73 N 0.87 0.64 0.90 1.92 0.00 0.09 0.11 103.07 107.61 3doz h GLY 73 Ca 0.41 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3doz h GLY 73 CO -0.23 0.49 -0.02 -0.33 0.00 0.00 0.00 176.54 176.45 3doz h MET 74 N 0.52 0.59 -0.55 4.80 2.86 0.11 -2.35 114.93 120.91 3doz h MET 74 Ca 0.07 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3doz h MET 74 Cb 0.70 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3doz h MET 74 CO 0.05 0.73 0.23 0.00 1.06 0.00 0.00 176.91 178.99 3doz h ALA 75 N 0.84 0.72 -0.33 6.32 0.00 -0.26 -0.29 119.26 126.26 3doz h ALA 75 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3doz h ALA 75 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3doz h ALA 75 CO 0.02 0.32 -0.02 1.96 0.00 0.00 0.00 179.25 181.53 3doz h GLN 76 N 0.75 0.52 -0.04 0.00 4.20 -0.75 0.20 115.11 119.99 3doz h GLN 76 Ca 0.19 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3doz h GLN 76 Cb 0.18 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3doz h GLN 76 CO -0.02 0.56 0.01 0.77 -0.67 0.00 0.00 178.83 179.48 3doz h SER 77 N 0.49 0.06 -0.57 1.46 0.02 -0.99 -0.81 113.55 113.20 3doz h SER 77 Ca 0.10 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3doz h SER 77 Cb 0.36 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3doz h SER 77 CO 0.01 0.29 0.25 1.23 -1.14 0.00 0.00 176.83 177.47 3doz h GLY 78 N -0.17 0.81 0.63 -3.77 0.00 -0.46 0.17 103.07 100.26 3doz h GLY 78 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.26 3doz h GLY 78 CO 0.00 0.05 0.49 -1.33 0.00 0.00 0.00 176.54 175.75 3doz h GLY 79 N 0.47 1.27 0.89 4.60 0.00 -0.27 0.44 103.07 110.46 3doz h GLY 79 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3doz h GLY 79 CO -0.24 0.19 0.09 -2.75 0.00 0.00 0.00 176.54 173.83 3doz h PHE 80 N 0.87 0.35 -0.28 5.60 3.57 -0.17 -0.87 116.94 126.01 3doz h PHE 80 Ca 0.38 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.88 3doz h PHE 80 Cb 0.26 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3doz h PHE 80 CO -0.05 0.39 0.10 1.25 -2.23 0.00 0.00 178.31 177.77 3doz h LEU 81 N 0.21 0.12 0.38 0.59 5.85 0.15 -1.02 115.31 121.59 3doz h LEU 81 Ca 0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3doz h LEU 81 Cb 0.19 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3doz h LEU 81 CO -0.01 0.10 -0.24 0.00 -0.34 0.00 0.00 178.44 177.96 3doz h ALA 82 N 1.18 -0.59 0.27 1.25 0.00 0.06 -0.42 119.26 121.01 3doz h ALA 82 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3doz h ALA 82 Cb 0.09 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3doz h ALA 82 CO -0.12 -0.84 -0.25 0.35 0.00 0.00 0.00 179.25 178.38 3doz h PHE 83 N -0.59 -0.67 0.00 0.00 3.57 -1.01 -2.52 116.94 115.71 3doz h PHE 83 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3doz h PHE 83 Cb 0.49 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3doz h PHE 83 CO -0.09 -0.37 -0.11 1.79 -2.23 0.00 0.00 178.31 177.29 3doz h THR 84 N -0.55 0.71 -0.36 4.41 1.35 -1.18 -0.72 112.91 116.57 3doz h THR 84 Ca -0.01 -0.46 -0.04 0.00 -0.55 0.00 0.00 66.41 65.35 3doz h THR 84 Cb 0.50 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3doz h THR 84 CO -0.04 0.11 0.05 0.28 -0.25 0.00 0.00 175.52 175.67 3doz h SER 85 N 0.00 0.50 0.00 5.36 0.02 -0.64 -1.19 113.55 117.61 3doz h SER 85 Ca -0.00 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3doz h SER 85 Cb 0.27 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3doz h SER 85 CO 0.01 0.54 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.65 3doz h LEU 86 N 0.53 0.00 -1.12 5.07 3.38 -0.93 -3.42 115.31 118.81 3doz h LEU 86 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3doz h LEU 86 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3doz h LEU 86 CO 0.00 0.94 -0.19 0.79 0.09 0.00 0.00 178.44 180.07 3doz n TRP 87 N -4.60 0.00 -4.31 1.13 8.01 -0.50 -5.09 117.44 112.09 3doz n TRP 87 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 3doz n TRP 87 Cb 0.35 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.65 3doz n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3doz n GLY 88 N 0.99 -0.86 3.38 6.99 0.00 -0.45 -4.08 105.19 111.17 3doz n GLY 88 Ca 0.07 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 3doz n GLY 88 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3doz n PHE 89 N -0.07 4.41 -3.76 1.61 7.35 -1.26 -4.39 117.46 121.35 3doz n PHE 89 Ca 0.00 -2.88 -0.33 0.00 -0.76 0.00 0.00 57.45 53.48 3doz n PHE 89 Cb 0.00 -2.61 -0.09 0.00 0.35 0.00 0.00 39.48 37.13 3doz n PHE 89 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3doz s ASP 90 N 3.95 5.38 0.30 -2.13 -1.08 -1.26 -4.97 116.67 116.86 3doz s ASP 90 Ca 0.52 -3.62 0.06 0.00 -0.52 0.00 0.00 52.55 48.99 3doz s ASP 90 Cb 0.06 -1.79 0.77 0.00 -1.46 0.00 0.00 42.92 40.50 3doz s ASP 90 CO 0.04 -0.17 1.72 -0.65 0.52 0.00 0.00 175.17 176.63 3doz h PRO 91 N 5.94 0.51 -0.84 4.34 0.11 -1.88 -1.47 132.00 138.71 3doz h PRO 91 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3doz h PRO 91 Cb 0.81 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 3doz h PRO 91 CO 0.78 0.34 0.53 0.93 -0.21 0.00 0.00 178.00 180.36 3doz h GLU 92 N 0.52 1.13 -0.00 1.05 5.08 -1.93 -2.22 114.58 118.21 3doz h GLU 92 Ca 0.58 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.63 3doz h GLU 92 Cb 1.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3doz h GLU 92 CO -0.48 0.77 -0.92 0.82 -1.00 0.00 0.00 179.01 178.20 3doz h ILE 93 N 1.15 1.41 -0.80 3.13 2.04 -1.78 -3.20 117.51 119.46 3doz h ILE 93 Ca 0.30 -2.45 0.02 0.00 1.00 0.00 0.00 64.86 63.73 3doz h ILE 93 Cb -0.08 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3doz h ILE 93 CO -0.06 0.73 0.53 0.00 0.00 0.00 0.00 178.15 179.35 3doz h ALA 94 N 0.78 1.48 0.00 1.87 0.00 -0.96 0.09 119.26 122.51 3doz h ALA 94 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3doz h ALA 94 Cb 1.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3doz h ALA 94 CO 0.16 0.46 0.11 0.87 0.00 0.00 0.00 179.25 180.85 3doz h LYS 95 N 1.03 0.00 0.00 0.00 1.57 -1.40 -1.87 116.57 115.91 3doz h LYS 95 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3doz h LYS 95 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3doz h LYS 95 CO -0.08 0.00 -0.91 0.25 -0.57 0.00 0.00 179.45 178.14 3doz n THR 96 N -2.69 0.00 -4.15 -0.16 -2.24 0.01 -4.89 114.28 100.16 3doz n THR 96 Ca -0.02 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3doz n THR 96 Cb 0.16 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.26 3doz n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doz s LYS 97 N -2.74 2.24 -0.11 -0.78 -0.14 -0.70 -0.28 119.74 117.23 3doz s LYS 97 Ca 0.06 -1.76 -0.20 0.00 -1.36 0.00 0.00 55.97 52.71 3doz s LYS 97 Cb 0.14 -2.02 0.05 0.00 -1.68 0.00 0.00 37.83 34.31 3doz s LYS 97 CO 0.74 -0.03 0.50 -1.50 -0.76 0.00 0.00 175.35 174.30 3doz s ILE 98 N -2.55 0.02 -0.17 2.17 2.07 0.01 -4.58 121.20 118.17 3doz s ILE 98 Ca 0.39 -0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.44 3doz s ILE 98 Cb 0.02 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3doz s ILE 98 CO 0.22 -0.07 0.04 -0.69 -1.91 0.00 0.00 174.94 172.52 3doz s VAL 99 N -0.52 4.56 0.10 4.00 1.01 -1.26 0.82 120.40 129.12 3doz s VAL 99 Ca -0.06 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 61.90 3doz s VAL 99 Cb -0.03 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3doz s VAL 99 CO 0.04 0.48 -0.26 -0.31 0.00 0.00 0.00 175.10 175.04 3doz s TYR 100 N 0.30 2.26 0.39 5.22 2.02 0.40 -4.94 117.35 123.00 3doz s TYR 100 Ca 0.02 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.19 3doz s TYR 100 Cb -0.13 -1.26 -0.08 0.00 -0.40 0.00 0.00 41.96 40.09 3doz s TYR 100 CO 0.01 0.27 0.80 -0.06 -1.57 0.00 0.00 175.55 174.99 3doz s PHE 101 N -0.99 3.41 -0.05 2.71 0.08 -1.26 -0.48 117.98 121.39 3doz s PHE 101 Ca 0.13 1.22 -0.00 0.00 0.12 0.00 0.00 56.93 58.40 3doz s PHE 101 Cb -0.10 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3doz s PHE 101 CO 0.05 -0.05 -0.05 -1.33 -0.10 0.00 0.00 175.22 173.73 3doz n MET 102 N -0.88 0.13 -3.92 0.44 2.81 -0.07 -4.87 117.12 110.76 3doz n MET 102 Ca 0.04 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.88 3doz n MET 102 Cb 0.54 -1.03 -0.08 0.00 -0.71 0.00 0.00 33.22 31.94 3doz n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3doz s THR 103 N -2.10 0.16 -0.08 2.03 -4.23 -1.15 -4.99 115.64 105.28 3doz s THR 103 Ca -0.07 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3doz s THR 103 Cb 0.02 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.49 3doz s THR 103 CO 0.11 -0.72 0.16 -0.63 -0.54 0.00 0.00 174.62 173.01 3doz s ILE 104 N -3.88 -0.12 0.14 2.99 1.01 -1.26 -2.15 121.20 117.93 3doz s ILE 104 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3doz s ILE 104 Cb 0.06 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3doz s ILE 104 CO -0.10 0.10 0.03 -1.81 0.00 0.00 0.00 174.94 173.15 3doz s ASP 105 N 1.54 0.68 -1.53 3.58 1.11 0.17 -4.89 116.67 117.34 3doz s ASP 105 Ca -0.05 -1.18 -0.15 0.00 0.18 0.00 0.00 52.55 51.34 3doz s ASP 105 Cb -0.12 0.22 0.13 0.00 1.07 0.00 0.00 42.92 44.22 3doz s ASP 105 CO -0.06 -0.65 0.69 0.29 1.18 0.00 0.00 175.17 176.61 3doz n LYS 106 N -0.14 -3.28 -2.60 8.23 4.76 -1.26 -0.82 118.16 123.05 3doz n LYS 106 Ca -0.07 0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 55.35 3doz n LYS 106 Cb 0.63 -5.12 -0.03 0.00 -1.84 0.00 0.00 35.03 28.67 3doz n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3doz s VAL 107 N -3.13 4.58 -0.03 -0.18 1.01 -1.25 -3.99 120.40 117.40 3doz s VAL 107 Ca 0.63 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.45 3doz s VAL 107 Cb -0.34 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.88 3doz s VAL 107 CO 0.77 0.10 0.03 -0.75 0.00 0.00 0.00 175.10 175.25 3doz s LYS 108 N 1.37 0.10 -0.25 2.72 2.36 -0.02 -4.98 119.74 121.03 3doz s LYS 108 Ca 0.53 0.20 -0.11 0.00 -2.55 0.00 0.00 55.97 54.05 3doz s LYS 108 Cb -0.23 -0.45 -0.05 0.00 -1.05 0.00 0.00 37.83 36.05 3doz s LYS 108 CO 0.26 -0.21 0.18 -0.06 1.55 0.00 0.00 175.35 177.06 3doz s PHE 109 N 1.43 3.29 -0.14 4.03 2.99 -1.26 -1.42 117.98 126.90 3doz s PHE 109 Ca -0.04 0.22 0.02 0.00 0.00 0.00 0.00 56.93 57.12 3doz s PHE 109 Cb -0.13 -2.30 -0.10 0.00 0.00 0.00 0.00 43.02 40.49 3doz s PHE 109 CO -0.03 0.01 -0.12 0.54 -0.00 0.00 0.00 175.22 175.62 3doz n ARG 110 N 4.48 0.44 -4.24 0.44 1.74 0.02 -4.97 116.66 114.57 3doz n ARG 110 Ca -0.15 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.84 3doz n ARG 110 Cb 0.52 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.53 3doz n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3doz s ILE 111 N -2.28 0.54 0.23 0.55 1.01 -0.89 -5.01 121.20 115.34 3doz s ILE 111 Ca -0.19 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3doz s ILE 111 Cb 0.05 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.96 3doz s ILE 111 CO 0.34 0.16 1.21 -2.16 0.00 0.00 0.00 174.94 174.49 3doz s PRO 112 N -0.05 4.49 -0.13 2.79 0.04 -1.26 -4.80 135.00 136.09 3doz s PRO 112 Ca 0.01 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 3doz s PRO 112 Cb -0.04 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3doz s PRO 112 CO -0.00 -0.06 0.43 0.08 0.04 0.00 0.00 177.00 177.49 3doz s VAL 113 N -0.45 5.21 0.24 -0.36 1.01 -1.26 -5.02 120.40 119.77 3doz s VAL 113 Ca 0.51 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.36 3doz s VAL 113 Cb -0.34 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3doz s VAL 113 CO 0.40 0.35 0.04 0.42 0.00 0.00 0.00 175.10 176.32 3doz s THR 114 N 0.54 0.78 0.26 3.92 -4.23 -1.26 -0.89 115.64 114.75 3doz s THR 114 Ca 0.24 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 3doz s THR 114 Cb -0.15 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.10 3doz s THR 114 CO 0.09 -0.20 1.07 -2.65 -0.54 0.00 0.00 174.62 172.39 3doz n PRO 115 N -0.42 1.36 0.00 3.99 -0.02 -1.26 -1.13 135.00 137.51 3doz n PRO 115 Ca -0.03 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3doz n PRO 115 Cb 0.65 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3doz n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3doz n GLY 116 N 1.46 1.46 3.80 -1.23 0.00 0.15 -4.93 105.19 105.90 3doz n GLY 116 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3doz n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doz s ASP 117 N -1.93 7.13 -0.46 1.61 -0.00 -0.29 -4.88 116.67 117.86 3doz s ASP 117 Ca 0.00 1.75 -0.04 0.00 -0.00 0.00 0.00 52.55 54.25 3doz s ASP 117 Cb 0.00 -2.55 0.12 0.00 -0.00 0.00 0.00 42.92 40.49 3doz s ASP 117 CO 0.00 -0.21 0.28 -0.60 -0.00 0.00 0.00 175.17 174.63 3doz s ARG 118 N -2.63 2.20 -0.75 8.23 3.52 -1.26 -0.54 118.95 127.72 3doz s ARG 118 Ca 0.56 -1.91 -0.27 0.00 -0.13 0.00 0.00 55.73 53.98 3doz s ARG 118 Cb -0.14 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3doz s ARG 118 CO 0.18 -1.12 1.30 -1.17 -0.81 0.00 0.00 175.30 173.68 3doz s LEU 119 N 1.02 3.18 -0.17 -0.88 2.96 -0.25 -4.48 118.68 120.06 3doz s LEU 119 Ca 0.09 -0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.29 3doz s LEU 119 Cb -0.23 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3doz s LEU 119 CO -0.03 -1.83 0.63 -0.70 -1.32 0.00 0.00 176.35 173.10 3doz s GLU 120 N 5.71 4.26 -0.23 1.98 2.12 0.34 -0.74 118.70 132.14 3doz s GLU 120 Ca 0.36 0.66 -0.16 0.00 0.36 0.00 0.00 54.97 56.19 3doz s GLU 120 Cb -0.08 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 3doz s GLU 120 CO 0.14 -0.16 0.41 0.71 -0.54 0.00 0.00 175.26 175.82 3doz s TYR 121 N 1.63 3.32 -0.35 5.30 4.12 0.46 0.64 117.35 132.48 3doz s TYR 121 Ca 0.30 0.57 -0.01 0.00 0.02 0.00 0.00 57.07 57.95 3doz s TYR 121 Cb -0.16 -2.58 0.08 0.00 -1.52 0.00 0.00 41.96 37.79 3doz s TYR 121 CO 0.12 -0.12 0.08 -1.01 0.02 0.00 0.00 175.55 174.64 3doz s HIS 122 N 1.70 3.48 -0.03 2.71 3.76 0.10 -1.52 115.29 125.50 3doz s HIS 122 Ca 0.18 -2.30 0.07 0.00 -0.15 0.00 0.00 55.06 52.86 3doz s HIS 122 Cb -0.15 -2.68 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 3doz s HIS 122 CO 0.09 -0.90 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.32 3doz s LEU 123 N 1.14 2.05 0.11 0.89 2.01 -0.87 -0.48 118.68 123.54 3doz s LEU 123 Ca 0.03 -0.46 0.07 0.00 0.01 0.00 0.00 54.13 53.77 3doz s LEU 123 Cb -0.21 -1.29 -0.04 0.00 0.01 0.00 0.00 46.19 44.67 3doz s LEU 123 CO -0.04 0.28 -0.16 -1.61 1.01 0.00 0.00 176.35 175.83 3doz s GLU 124 N -0.43 1.04 -0.36 1.70 2.02 -0.23 -1.47 118.70 120.97 3doz s GLU 124 Ca 0.05 -1.18 -0.28 0.00 0.02 0.00 0.00 54.97 53.58 3doz s GLU 124 Cb -0.11 -1.08 0.02 0.00 0.10 0.00 0.00 34.13 33.07 3doz s GLU 124 CO 0.01 0.23 1.05 0.08 0.02 0.00 0.00 175.26 176.65 3doz s VAL 125 N -1.68 4.46 -0.09 2.63 1.01 0.11 -2.11 120.40 124.73 3doz s VAL 125 Ca 0.07 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.41 3doz s VAL 125 Cb -0.07 -4.44 -0.28 0.00 0.00 0.00 0.00 36.38 31.59 3doz s VAL 125 CO 0.04 -0.60 0.57 -0.07 0.00 0.00 0.00 175.10 175.03 3doz h LEU 126 N 10.32 0.43 -7.16 3.92 3.38 -0.50 -3.48 115.31 122.22 3doz h LEU 126 Ca -0.22 -0.87 -0.08 0.00 0.09 0.00 0.00 57.88 56.80 3doz h LEU 126 Cb 1.06 -0.14 -0.21 0.00 0.09 0.00 0.00 40.66 41.46 3doz h LEU 126 CO 1.04 1.66 -0.01 -0.75 0.09 0.00 0.00 178.44 180.47 3doz s LYS 127 N -2.50 0.77 -0.21 1.13 2.20 -1.01 -4.98 119.74 115.15 3doz s LYS 127 Ca -0.19 0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.91 3doz s LYS 127 Cb 0.05 0.37 0.11 0.00 -1.51 0.00 0.00 37.83 36.84 3doz s LYS 127 CO 0.78 -0.16 0.31 -3.38 -0.36 0.00 0.00 175.35 172.54 3doz s HIS 128 N -0.30 -0.56 -0.24 4.03 -3.43 -1.26 -0.20 115.29 113.32 3doz s HIS 128 Ca -0.05 0.65 0.01 0.00 -0.80 0.00 0.00 55.06 54.87 3doz s HIS 128 Cb -0.03 -0.12 0.06 0.00 -1.43 0.00 0.00 32.58 31.06 3doz s HIS 128 CO 0.04 -0.62 -0.06 0.21 -2.00 0.00 0.00 174.74 172.31 3doz s LYS 129 N 2.45 1.69 7.75 -0.38 2.20 -0.50 -5.02 119.74 127.92 3doz s LYS 129 Ca 0.08 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 3doz s LYS 129 Cb -0.15 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 3doz s LYS 129 CO -0.13 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 3doz n GLY 130 N 4.64 4.06 0.28 5.54 0.00 -1.26 -1.33 105.19 117.12 3doz n GLY 130 Ca -0.12 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3doz n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3doz n MET 131 N 14.00 1.06 -3.55 1.61 2.81 -1.26 -4.82 117.12 126.97 3doz n MET 131 Ca 0.00 -0.55 -0.38 0.00 -1.81 0.00 0.00 57.70 54.96 3doz n MET 131 Cb 0.00 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 3doz n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3doz s ILE 132 N -2.32 5.29 -0.01 2.02 -1.09 -0.44 -1.88 121.20 122.77 3doz s ILE 132 Ca 0.31 0.29 0.06 0.00 -2.23 0.00 0.00 60.65 59.08 3doz s ILE 132 Cb 0.20 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3doz s ILE 132 CO 0.45 0.26 -0.20 0.26 -1.23 0.00 0.00 174.94 174.47 3doz s TRP 133 N 1.61 1.80 -0.15 3.97 0.52 -0.73 -1.41 118.94 124.55 3doz s TRP 133 Ca 0.10 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.89 3doz s TRP 133 Cb -0.15 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.02 3doz s TRP 133 CO 0.09 -0.02 -0.20 -0.65 0.02 0.00 0.00 176.95 176.18 3doz s GLN 134 N -0.52 3.05 -0.04 4.98 -0.21 0.72 0.92 119.66 128.57 3doz s GLN 134 Ca 0.08 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3doz s GLN 134 Cb -0.08 -2.49 0.02 0.00 1.00 0.00 0.00 33.01 31.46 3doz s GLN 134 CO -0.01 -0.04 -0.04 0.14 -2.12 0.00 0.00 175.29 173.23 3doz s VAL 135 N 0.89 0.44 0.48 1.09 -7.23 0.10 0.29 120.40 116.46 3doz s VAL 135 Ca -0.05 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.09 3doz s VAL 135 Cb -0.15 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.32 3doz s VAL 135 CO -0.03 0.19 0.35 -0.83 -0.31 0.00 0.00 175.10 174.47 3doz s GLY 136 N 0.79 2.29 0.00 2.32 0.00 -0.90 -1.80 107.32 110.03 3doz s GLY 136 Ca -0.10 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3doz s GLY 136 CO -0.00 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.85 3doz n GLY 137 N -1.60 -0.42 3.33 0.20 0.00 -0.90 -1.06 105.19 104.74 3doz n GLY 137 Ca 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 3doz n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3doz s THR 138 N -2.78 0.04 -0.13 2.61 -4.23 0.37 -1.84 115.64 109.69 3doz s THR 138 Ca 0.00 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 3doz s THR 138 Cb 0.00 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 3doz s THR 138 CO 0.00 -0.20 -0.11 0.00 -0.54 0.00 0.00 174.62 173.77 3doz s ALA 139 N -4.03 2.71 0.12 3.99 0.00 -0.09 0.03 121.76 124.48 3doz s ALA 139 Ca 0.24 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3doz s ALA 139 Cb 0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3doz s ALA 139 CO 0.05 0.27 -0.19 -0.65 0.00 0.00 0.00 175.76 175.23 3doz s GLN 140 N 0.27 1.13 -0.12 0.00 -0.21 0.21 -1.18 119.66 119.75 3doz s GLN 140 Ca -0.08 -1.22 -0.02 0.00 0.02 0.00 0.00 55.36 54.06 3doz s GLN 140 Cb -0.15 -1.29 0.04 0.00 1.00 0.00 0.00 33.01 32.60 3doz s GLN 140 CO 0.05 0.29 0.00 0.08 -2.12 0.00 0.00 175.29 173.59 3doz s VAL 141 N -1.49 0.51 -1.37 1.09 1.01 -0.52 -0.50 120.40 119.13 3doz s VAL 141 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 3doz s VAL 141 Cb -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3doz s VAL 141 CO 0.05 0.11 0.72 -0.67 0.00 0.00 0.00 175.10 175.30 3doz n ASP 142 N 5.09 -1.77 0.00 3.32 2.03 -1.26 -1.51 116.55 122.45 3doz n ASP 142 Ca -0.08 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.39 3doz n ASP 142 Cb 0.49 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 3doz n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3doz n GLY 143 N -1.65 1.14 3.73 0.27 0.00 -1.26 -4.99 105.19 102.43 3doz n GLY 143 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3doz n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3doz s LYS 144 N -0.22 3.68 -0.02 1.61 3.01 -0.57 -5.06 119.74 122.18 3doz s LYS 144 Ca 0.00 -0.27 -0.30 0.00 -1.01 0.00 0.00 55.97 54.39 3doz s LYS 144 Cb 0.00 -3.16 -0.06 0.00 -1.01 0.00 0.00 37.83 33.59 3doz s LYS 144 CO 0.00 0.50 1.60 0.08 0.51 0.00 0.00 175.35 178.04 3doz s VAL 145 N -0.25 3.49 -0.22 3.17 1.01 -1.26 -1.44 120.40 124.90 3doz s VAL 145 Ca 0.09 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.95 3doz s VAL 145 Cb -0.12 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.59 3doz s VAL 145 CO 0.01 -0.04 0.40 1.33 0.00 0.00 0.00 175.10 176.80 3doz n VAL 146 N 5.16 0.00 -3.53 2.92 0.24 -0.33 -4.49 118.33 118.31 3doz n VAL 146 Ca 0.16 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.10 3doz n VAL 146 Cb 0.42 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 3doz n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3doz s ALA 147 N -2.77 -1.88 -0.02 2.33 0.00 -1.12 -0.79 121.76 117.50 3doz s ALA 147 Ca -0.02 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 3doz s ALA 147 Cb 0.10 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3doz s ALA 147 CO 0.58 -0.59 0.29 -1.83 0.00 0.00 0.00 175.76 174.22 3doz s GLU 148 N -2.55 0.61 0.02 0.00 -1.05 -0.51 -0.91 118.70 114.31 3doz s GLU 148 Ca 0.04 -0.15 -0.28 0.00 -0.15 0.00 0.00 54.97 54.43 3doz s GLU 148 Cb -0.01 0.27 0.10 0.00 -0.44 0.00 0.00 34.13 34.05 3doz s GLU 148 CO -0.06 -0.16 0.92 0.00 0.95 0.00 0.00 175.26 176.91 3doz s ALA 149 N -1.17 -1.80 0.05 -0.84 0.00 -0.77 -0.84 121.76 116.39 3doz s ALA 149 Ca -0.12 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3doz s ALA 149 Cb -0.05 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3doz s ALA 149 CO 0.03 -0.76 -0.14 -1.21 0.00 0.00 0.00 175.76 173.68 3doz s GLU 150 N -3.12 0.88 0.02 0.00 2.02 0.00 -2.12 118.70 116.38 3doz s GLU 150 Ca 0.07 -0.85 -0.25 0.00 0.02 0.00 0.00 54.97 53.96 3doz s GLU 150 Cb -0.01 -0.89 0.06 0.00 0.10 0.00 0.00 34.13 33.39 3doz s GLU 150 CO -0.07 0.21 0.57 -0.48 0.02 0.00 0.00 175.26 175.51 3doz s LEU 151 N -1.42 -0.26 -0.16 1.80 2.34 -0.74 0.45 118.68 120.68 3doz s LEU 151 Ca -0.00 0.33 -0.01 0.00 0.06 0.00 0.00 54.13 54.51 3doz s LEU 151 Cb -0.09 2.26 -0.01 0.00 -0.56 0.00 0.00 46.19 47.80 3doz s LEU 151 CO 0.02 -0.70 -0.12 -0.75 -1.06 0.00 0.00 176.35 173.74 3doz s LYS 152 N -2.12 3.29 0.42 1.48 2.20 -0.91 -0.72 119.74 123.38 3doz s LYS 152 Ca -0.07 -0.71 0.07 0.00 -0.36 0.00 0.00 55.97 54.91 3doz s LYS 152 Cb -0.01 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 3doz s LYS 152 CO 0.01 0.01 0.30 0.00 -0.36 0.00 0.00 175.35 175.31 3doz s ALA 153 N 0.87 3.90 -0.01 3.13 0.00 0.26 -0.89 121.76 129.02 3doz s ALA 153 Ca -0.03 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.01 3doz s ALA 153 Cb -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3doz s ALA 153 CO -0.00 -0.22 -0.04 1.41 0.00 0.00 0.00 175.76 176.90 3doz s MET 154 N -4.05 0.43 -0.37 0.00 1.75 0.37 -1.77 119.30 115.65 3doz s MET 154 Ca 0.44 -0.15 -0.12 0.00 -1.25 0.00 0.00 55.69 54.61 3doz s MET 154 Cb -0.00 -0.43 0.01 0.00 2.84 0.00 0.00 34.83 37.24 3doz s MET 154 CO 0.25 0.07 0.24 0.42 -0.65 0.00 0.00 175.02 175.35 3doz s ILE 155 N 0.08 4.95 0.50 10.11 1.01 -0.79 -0.45 121.20 136.60 3doz s ILE 155 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3doz s ILE 155 Cb -0.04 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3doz s ILE 155 CO -0.00 -0.17 0.13 0.00 0.00 0.00 0.00 174.94 174.90 3doz s ALA 156 N 1.64 4.04 0.05 9.38 0.00 0.24 -4.90 121.76 132.20 3doz s ALA 156 Ca 0.04 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 3doz s ALA 156 Cb -0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3doz s ALA 156 CO 0.08 -0.16 0.86 -1.21 0.00 0.00 0.00 175.76 175.33 3doz s GLU 157 N -3.97 4.56 0.53 0.00 0.41 -1.26 -0.81 118.70 118.16 3doz s GLU 157 Ca 0.21 1.23 0.21 0.00 -0.41 0.00 0.00 54.97 56.20 3doz s GLU 157 Cb 0.02 -3.39 1.41 0.00 -1.78 0.00 0.00 34.13 30.38 3doz s GLU 157 CO 0.12 0.18 2.15 -0.09 -0.49 0.00 0.00 175.26 177.13 3doz h ARG 158 N 5.94 0.00 0.00 1.61 9.65 -0.89 -3.44 114.38 127.25 3doz h ARG 158 Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3doz h ARG 158 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3doz h ARG 158 CO 0.72 0.04 0.00 0.39 2.80 0.00 0.00 179.97 183.92