#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bo0 n PRO 2 N 0.00 1.06 0.00 -1.09 -0.04 -1.26 -4.97 135.00 128.70 1bo0 n PRO 2 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1bo0 n PRO 2 Cb 0.00 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.01 1bo0 n PRO 2 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bo0 n VAL 3 N -0.38 0.00 0.00 0.52 0.24 -1.26 -4.70 118.33 112.75 1bo0 n VAL 3 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1bo0 n VAL 3 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1bo0 n VAL 3 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bo0 n GLY 4 N 1.40 0.00 3.55 7.63 0.00 -1.26 -5.08 105.19 111.42 1bo0 n GLY 4 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1bo0 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bo0 s ILE 5 N 0.00 3.59 0.64 -0.61 1.09 -1.26 -4.97 121.20 119.69 1bo0 s ILE 5 Ca 0.00 0.34 -0.09 0.00 -1.10 0.00 0.00 60.65 59.80 1bo0 s ILE 5 Cb 0.00 -4.57 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 1bo0 s ILE 5 CO 0.00 -1.51 1.01 0.20 -0.10 0.00 0.00 174.94 174.54 1bo0 s ASN 6 N 5.27 5.65 -1.20 3.58 -0.87 -1.26 -4.50 114.94 121.61 1bo0 s ASN 6 Ca 0.47 1.03 -0.08 0.00 -1.57 0.00 0.00 52.86 52.71 1bo0 s ASN 6 Cb -0.10 -1.95 0.22 0.00 -0.02 0.00 0.00 41.25 39.40 1bo0 s ASN 6 CO 0.17 -1.14 1.68 0.35 -2.57 0.00 0.00 177.10 175.59 1bo0 n THR 7 N -2.80 4.67 -3.91 1.60 -2.24 -1.26 -4.92 114.28 105.42 1bo0 n THR 7 Ca 0.06 -4.96 -0.11 0.00 -2.27 0.00 0.00 64.05 56.77 1bo0 n THR 7 Cb 0.57 -2.29 -0.02 0.00 -2.10 0.00 0.00 70.33 66.49 1bo0 n THR 7 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bo0 n SER 8 N 3.15 -1.07 -2.83 3.42 3.41 -1.26 -5.18 113.62 113.27 1bo0 n SER 8 Ca 0.34 -2.40 -0.09 0.00 -0.26 0.00 0.00 58.87 56.46 1bo0 n SER 8 Cb 0.36 1.97 0.05 0.00 -0.26 0.00 0.00 64.21 66.33 1bo0 n SER 8 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bo0 n THR 9 N -0.43 0.00 -2.62 6.66 -2.24 -1.26 -5.13 114.28 109.26 1bo0 n THR 9 Ca -0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1bo0 n THR 9 Cb 0.44 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1bo0 n THR 9 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1bo0 n THR 10 N -2.19 0.00 -2.86 4.28 5.66 -1.26 -5.11 114.28 112.80 1bo0 n THR 10 Ca 0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.90 1bo0 n THR 10 Cb 0.21 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.05 1bo0 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bo0 n TYR 13 N 4.68 2.08 -3.28 0.00 4.01 -1.26 -4.91 117.16 118.48 1bo0 n TYR 13 Ca -0.18 -1.05 -0.40 0.00 -0.16 0.00 0.00 57.90 56.12 1bo0 n TYR 13 Cb 0.54 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 38.87 1bo0 n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1bo0 s ARG 14 N -2.57 4.06 -0.35 -0.72 0.52 -1.26 -5.04 118.95 113.59 1bo0 s ARG 14 Ca 0.46 0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1bo0 s ARG 14 Cb 0.37 -3.65 0.03 0.00 0.52 0.00 0.00 34.95 32.21 1bo0 s ARG 14 CO 0.11 -0.33 0.16 -0.06 0.02 0.00 0.00 175.30 175.20 1bo0 s PHE 15 N 2.23 3.23 -0.30 -0.53 0.40 -1.26 -4.51 117.98 117.24 1bo0 s PHE 15 Ca 0.19 -1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 55.31 1bo0 s PHE 15 Cb -0.16 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1bo0 s PHE 15 CO 0.09 -0.65 0.24 0.42 0.70 0.00 0.00 175.22 176.02 1bo0 s ILE 16 N 1.50 5.28 -0.33 0.64 1.01 -1.26 -4.92 121.20 123.12 1bo0 s ILE 16 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 60.65 60.92 1bo0 s ILE 16 Cb -0.19 -3.61 0.73 0.00 0.01 0.00 0.00 42.46 39.40 1bo0 s ILE 16 CO 0.05 0.16 1.62 0.59 0.00 0.00 0.00 174.94 177.36 1bo0 n ASN 17 N 5.13 5.17 -4.97 3.58 3.02 -1.26 -4.43 115.26 121.51 1bo0 n ASN 17 Ca -0.13 -2.85 -0.21 0.00 -0.03 0.00 0.00 54.58 51.36 1bo0 n ASN 17 Cb 0.51 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1bo0 n ASN 17 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1bo0 s LYS 18 N -2.59 3.41 0.59 3.52 1.02 -1.26 -5.07 119.74 119.37 1bo0 s LYS 18 Ca 0.49 -0.78 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 1bo0 s LYS 18 Cb 0.37 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1bo0 s LYS 18 CO 0.14 0.42 1.32 0.15 -0.92 0.00 0.00 175.35 176.45 1bo0 s LYS 19 N -3.98 2.88 -0.04 1.68 1.02 -1.26 -5.01 119.74 115.02 1bo0 s LYS 19 Ca 0.34 2.12 -0.02 0.00 0.02 0.00 0.00 55.97 58.44 1bo0 s LYS 19 Cb -0.09 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1bo0 s LYS 19 CO 0.29 -1.36 0.08 0.42 -0.92 0.00 0.00 175.35 173.85 1bo0 s ILE 20 N -1.37 4.78 -0.62 2.17 1.01 -1.26 -5.03 121.20 120.89 1bo0 s ILE 20 Ca 0.77 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.89 1bo0 s ILE 20 Cb -0.38 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1bo0 s ILE 20 CO 0.43 0.45 1.90 -2.16 0.00 0.00 0.00 174.94 175.56 1bo0 s PRO 21 N -1.44 2.58 0.26 2.79 0.04 -1.26 -4.83 135.00 133.14 1bo0 s PRO 21 Ca 0.20 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 1bo0 s PRO 21 Cb -0.12 -4.43 0.35 0.00 0.04 0.00 0.00 34.50 30.34 1bo0 s PRO 21 CO 0.10 -2.80 1.90 -0.22 0.04 0.00 0.00 177.00 176.02 1bo0 h LYS 22 N 15.11 1.22 -0.77 4.56 3.64 -1.95 -0.60 116.57 137.77 1bo0 h LYS 22 Ca -0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1bo0 h LYS 22 Cb 1.16 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1bo0 h LYS 22 CO 1.21 0.81 0.50 0.37 -2.27 0.00 0.00 179.45 180.07 1bo0 h GLN 23 N 1.26 1.02 -0.01 1.90 4.15 -2.06 -1.80 115.11 119.56 1bo0 h GLN 23 Ca 0.41 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1bo0 h GLN 23 Cb 0.04 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1bo0 h GLN 23 CO -0.14 0.69 -0.11 0.54 -1.93 0.00 0.00 178.83 177.88 1bo0 n ARG 24 N -4.41 1.35 -2.84 1.69 1.74 -0.66 -4.82 116.66 108.71 1bo0 n ARG 24 Ca 0.08 -0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 55.94 1bo0 n ARG 24 Cb 0.04 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 1bo0 n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bo0 s LEU 25 N -2.20 4.04 -0.06 0.55 1.43 -0.32 -3.96 118.68 118.15 1bo0 s LEU 25 Ca 0.32 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1bo0 s LEU 25 Cb 0.20 -3.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 1bo0 s LEU 25 CO 0.41 -0.72 -0.02 -0.62 0.23 0.00 0.00 176.35 175.63 1bo0 n GLU 26 N 6.45 1.75 -3.25 1.70 -0.58 -1.16 -4.94 120.64 120.61 1bo0 n GLU 26 Ca 0.06 0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.76 1bo0 n GLU 26 Cb 0.48 -1.15 0.02 0.00 -0.57 0.00 0.00 31.44 30.22 1bo0 n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1bo0 n SER 27 N -2.44 -1.77 -3.64 1.62 3.41 -1.08 -4.77 113.62 104.95 1bo0 n SER 27 Ca -0.11 -2.18 -0.10 0.00 -0.26 0.00 0.00 58.87 56.21 1bo0 n SER 27 Cb 0.66 2.94 -0.07 0.00 -0.26 0.00 0.00 64.21 67.48 1bo0 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bo0 s TYR 28 N -3.42 -0.87 0.00 7.33 1.13 -1.26 0.10 117.35 120.36 1bo0 s TYR 28 Ca 0.14 1.93 -0.01 0.00 -1.41 0.00 0.00 57.07 57.72 1bo0 s TYR 28 Cb -0.04 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1bo0 s TYR 28 CO 0.09 -0.43 0.10 -0.98 -2.51 0.00 0.00 175.55 171.82 1bo0 s ARG 29 N 0.93 3.11 0.12 -3.49 1.70 0.17 -4.87 118.95 116.62 1bo0 s ARG 29 Ca -0.04 -0.47 0.04 0.00 -0.47 0.00 0.00 55.73 54.78 1bo0 s ARG 29 Cb -0.05 -2.89 -0.04 0.00 -0.57 0.00 0.00 34.95 31.40 1bo0 s ARG 29 CO -0.09 0.65 0.10 1.03 -1.08 0.00 0.00 175.30 175.91 1bo0 s ARG 30 N -1.81 2.88 0.73 3.89 0.52 -1.26 -0.14 118.95 123.75 1bo0 s ARG 30 Ca 0.24 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.58 1bo0 s ARG 30 Cb -0.12 -2.69 0.05 0.00 0.52 0.00 0.00 34.95 32.71 1bo0 s ARG 30 CO 0.15 0.53 1.08 0.99 0.02 0.00 0.00 175.30 178.07 1bo0 s THR 31 N -1.54 2.65 -0.24 0.02 2.01 -1.09 -4.96 115.64 112.49 1bo0 s THR 31 Ca 0.30 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 1bo0 s THR 31 Cb -0.11 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1bo0 s THR 31 CO 0.22 -0.21 0.38 -0.89 -0.69 0.00 0.00 174.62 173.43 1bo0 s THR 32 N -3.36 5.18 0.26 -0.82 2.01 -1.26 -4.83 115.64 112.82 1bo0 s THR 32 Ca 0.59 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 1bo0 s THR 32 Cb -0.11 -3.71 0.19 0.00 0.01 0.00 0.00 72.50 68.88 1bo0 s THR 32 CO 0.48 0.20 1.85 0.28 -0.69 0.00 0.00 174.62 176.73 1bo0 h SER 33 N 7.83 0.96 -0.77 3.53 0.02 -1.94 0.86 113.55 124.04 1bo0 h SER 33 Ca -0.33 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1bo0 h SER 33 Cb 1.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 1bo0 h SER 33 CO 0.68 0.83 0.27 0.28 -1.14 0.00 0.00 176.83 177.75 1bo0 h SER 34 N 1.04 1.10 0.31 3.07 0.02 -2.00 -3.20 113.55 113.88 1bo0 h SER 34 Ca 0.25 -0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.72 1bo0 h SER 34 Cb 0.15 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 1bo0 h SER 34 CO -0.03 1.00 -1.94 1.41 -1.14 0.00 0.00 176.83 176.13 1bo0 n HIS 35 N -4.26 0.56 -3.56 3.45 8.25 -1.10 -4.89 115.22 113.67 1bo0 n HIS 35 Ca 0.07 0.20 -0.37 0.00 -0.26 0.00 0.00 57.72 57.35 1bo0 n HIS 35 Cb 0.21 -1.06 -0.06 0.00 1.12 0.00 0.00 29.99 30.20 1bo0 n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bo0 h PRO 37 N 5.68 0.00 -4.35 0.00 0.13 -1.84 -3.41 132.00 128.21 1bo0 h PRO 37 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1bo0 h PRO 37 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 1bo0 h PRO 37 CO 0.68 0.21 -0.81 1.03 -0.23 0.00 0.00 178.00 178.88 1bo0 s ARG 38 N -3.36 1.65 0.12 0.86 1.81 -1.26 -5.11 118.95 113.66 1bo0 s ARG 38 Ca 0.03 -0.32 -0.31 0.00 -1.72 0.00 0.00 55.73 53.41 1bo0 s ARG 38 Cb 0.08 -1.59 -0.08 0.00 -0.45 0.00 0.00 34.95 32.91 1bo0 s ARG 38 CO 0.66 -0.19 1.33 -1.21 -0.68 0.00 0.00 175.30 175.21 1bo0 s GLU 39 N 1.42 4.36 0.03 3.54 2.02 -1.26 -4.93 118.70 123.88 1bo0 s GLU 39 Ca 0.00 2.00 -0.08 0.00 0.02 0.00 0.00 54.97 56.92 1bo0 s GLU 39 Cb -0.13 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 1bo0 s GLU 39 CO -0.05 -0.35 0.15 0.00 0.02 0.00 0.00 175.26 175.02 1bo0 s ALA 40 N 0.87 -0.27 -0.10 5.21 0.00 -1.26 -4.58 121.76 121.62 1bo0 s ALA 40 Ca 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1bo0 s ALA 40 Cb -0.35 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1bo0 s ALA 40 CO 0.32 -0.31 0.02 0.14 0.00 0.00 0.00 175.76 175.93 1bo0 s VAL 41 N -2.24 4.48 -0.15 0.00 -7.23 -1.19 -2.67 120.40 111.41 1bo0 s VAL 41 Ca -0.08 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1bo0 s VAL 41 Cb -0.03 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1bo0 s VAL 41 CO -0.02 0.59 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.63 1bo0 s ILE 42 N -0.69 3.35 -0.19 -0.62 1.01 0.80 -0.72 121.20 124.14 1bo0 s ILE 42 Ca 0.11 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1bo0 s ILE 42 Cb -0.12 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1bo0 s ILE 42 CO 0.02 0.50 0.28 -0.36 0.00 0.00 0.00 174.94 175.38 1bo0 s PHE 43 N 0.54 3.41 -0.24 3.97 0.08 -0.53 0.43 117.98 125.64 1bo0 s PHE 43 Ca -0.06 0.51 -0.11 0.00 0.12 0.00 0.00 56.93 57.39 1bo0 s PHE 43 Cb -0.15 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 1bo0 s PHE 43 CO 0.03 0.16 0.17 0.15 -0.10 0.00 0.00 175.22 175.63 1bo0 s LYS 44 N 0.75 4.06 0.40 0.44 1.02 0.28 -2.16 119.74 124.54 1bo0 s LYS 44 Ca 0.15 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 55.96 1bo0 s LYS 44 Cb -0.13 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1bo0 s LYS 44 CO 0.04 0.02 0.51 0.99 -0.92 0.00 0.00 175.35 176.00 1bo0 s THR 45 N 1.18 3.17 0.52 2.17 2.01 -0.96 -2.65 115.64 121.08 1bo0 s THR 45 Ca 0.08 -1.06 0.29 0.00 0.31 0.00 0.00 61.69 61.31 1bo0 s THR 45 Cb -0.14 -3.08 0.33 0.00 0.01 0.00 0.00 72.50 69.62 1bo0 s THR 45 CO 0.06 -0.04 2.19 0.11 -0.69 0.00 0.00 174.62 176.25 1bo0 h LYS 46 N 0.77 0.00 -1.00 4.92 1.57 -1.91 -2.27 116.57 118.65 1bo0 h LYS 46 Ca -0.41 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.96 1bo0 h LYS 46 Cb 1.27 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.34 1bo0 h LYS 46 CO 0.49 0.05 0.51 1.28 -0.57 0.00 0.00 179.45 181.20 1bo0 n LEU 47 N -3.74 5.91 -3.46 2.94 4.77 -1.26 -4.86 117.00 117.29 1bo0 n LEU 47 Ca -0.03 -3.13 -0.25 0.00 -0.03 0.00 0.00 56.01 52.57 1bo0 n LEU 47 Cb 0.14 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1bo0 n LEU 47 CO 0.28 0.92 0.03 0.47 -1.33 0.00 0.00 177.39 177.77 1bo0 n ASP 48 N -0.77 -4.86 -4.37 -1.43 8.00 -0.85 -4.93 116.55 107.33 1bo0 n ASP 48 Ca 0.46 -0.49 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 1bo0 n ASP 48 Cb 1.41 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 38.47 1bo0 n ASP 48 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1bo0 s LYS 49 N -6.14 2.80 -0.26 -1.24 1.02 -1.26 -4.90 119.74 109.76 1bo0 s LYS 49 Ca 0.47 -1.14 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 1bo0 s LYS 49 Cb -0.23 -3.77 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 1bo0 s LYS 49 CO 0.58 -0.75 0.20 -1.21 -0.92 0.00 0.00 175.35 173.24 1bo0 s GLU 50 N 1.55 4.02 -0.12 1.68 2.02 -1.26 -2.26 118.70 124.33 1bo0 s GLU 50 Ca 0.02 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1bo0 s GLU 50 Cb -0.20 -3.60 0.01 0.00 0.10 0.00 0.00 34.13 30.44 1bo0 s GLU 50 CO 0.06 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.50 1bo0 s ILE 51 N 1.45 1.82 0.34 -1.63 1.01 -0.92 -4.90 121.20 118.38 1bo0 s ILE 51 Ca 0.08 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1bo0 s ILE 51 Cb -0.15 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.61 1bo0 s ILE 51 CO 0.08 0.50 1.02 0.00 0.00 0.00 0.00 174.94 176.54 1bo0 s ALA 53 N -1.54 0.91 -0.01 0.00 0.00 0.10 -4.22 121.76 117.00 1bo0 s ALA 53 Ca 0.52 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1bo0 s ALA 53 Cb -0.23 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.51 1bo0 s ALA 53 CO 0.29 0.17 2.00 -3.47 0.00 0.00 0.00 175.76 174.75 1bo0 n ASP 54 N 3.12 3.98 -4.54 0.00 2.03 -1.26 -3.16 116.55 116.72 1bo0 n ASP 54 Ca -0.17 0.82 -0.41 0.00 0.52 0.00 0.00 54.79 55.56 1bo0 n ASP 54 Cb 0.55 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 1bo0 n ASP 54 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1bo0 s PRO 55 N 4.66 3.39 0.00 -0.67 0.04 -1.26 -4.39 135.00 136.77 1bo0 s PRO 55 Ca 0.91 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1bo0 s PRO 55 Cb -0.45 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1bo0 s PRO 55 CO 0.42 -2.14 0.00 2.41 0.04 0.00 0.00 177.00 177.74 1bo0 n THR 56 N 6.54 0.00 -3.17 1.26 -1.04 -1.26 -5.06 114.28 111.55 1bo0 n THR 56 Ca 0.17 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.83 1bo0 n THR 56 Cb 0.50 -0.16 -0.06 0.00 -1.82 0.00 0.00 70.33 68.79 1bo0 n THR 56 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1bo0 s GLN 57 N -1.99 4.14 0.55 -2.82 -0.21 -1.26 -4.97 119.66 113.10 1bo0 s GLN 57 Ca 0.00 0.74 0.26 0.00 0.02 0.00 0.00 55.36 56.37 1bo0 s GLN 57 Cb 0.00 -2.83 1.58 0.00 1.00 0.00 0.00 33.01 32.76 1bo0 s GLN 57 CO 0.00 0.38 2.18 0.87 -2.12 0.00 0.00 175.29 176.60 1bo0 h LYS 58 N 3.28 0.00 -1.00 2.91 1.57 -1.99 -3.22 116.57 118.11 1bo0 h LYS 58 Ca -0.48 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1bo0 h LYS 58 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 1bo0 h LYS 58 CO 0.65 0.04 0.60 0.11 -0.57 0.00 0.00 179.45 180.28 1bo0 h TRP 59 N 0.00 1.02 -0.08 -1.35 5.08 -1.98 1.05 115.95 119.69 1bo0 h TRP 59 Ca -0.00 0.04 -0.23 0.00 1.08 0.00 0.00 58.89 59.77 1bo0 h TRP 59 Cb 0.10 -0.30 0.01 0.00 -3.00 0.00 0.00 29.16 25.98 1bo0 h TRP 59 CO 0.00 0.09 -0.86 -0.39 -1.28 0.00 0.00 178.44 176.00 1bo0 h VAL 60 N 0.61 1.29 -0.92 0.12 -1.51 -1.94 -1.25 116.25 112.64 1bo0 h VAL 60 Ca 0.64 -2.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1bo0 h VAL 60 Cb 1.18 2.20 -0.05 0.00 -2.13 0.00 0.00 31.29 32.49 1bo0 h VAL 60 CO -0.46 0.65 0.59 1.56 -1.23 0.00 0.00 177.57 178.68 1bo0 h GLN 61 N 0.41 1.23 -0.70 5.19 4.20 -1.09 0.15 115.11 124.50 1bo0 h GLN 61 Ca -0.08 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1bo0 h GLN 61 Cb 1.50 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1bo0 h GLN 61 CO 0.17 0.83 0.31 -0.44 -0.67 0.00 0.00 178.83 179.03 1bo0 h ASP 62 N 1.26 0.94 -0.64 1.46 3.32 0.12 -2.15 116.42 120.73 1bo0 h ASP 62 Ca 0.34 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1bo0 h ASP 62 Cb -0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 1bo0 h ASP 62 CO -0.07 0.84 0.14 -0.26 -1.72 0.00 0.00 179.24 178.16 1bo0 h PHE 63 N 0.99 1.11 -1.00 4.55 0.04 0.08 -2.59 116.94 120.12 1bo0 h PHE 63 Ca 0.24 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.92 1bo0 h PHE 63 Cb 0.17 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 37.94 1bo0 h PHE 63 CO 0.01 0.92 0.65 0.52 -0.60 0.00 0.00 178.31 179.81 1bo0 h MET 64 N 1.00 1.20 -0.25 1.51 2.86 -0.13 0.85 114.93 121.97 1bo0 h MET 64 Ca 0.21 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1bo0 h MET 64 Cb 0.39 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1bo0 h MET 64 CO 0.01 0.79 0.10 0.87 1.06 0.00 0.00 176.91 179.74 1bo0 h LYS 65 N 1.23 0.36 -0.60 1.72 1.57 -1.07 0.29 116.57 120.07 1bo0 h LYS 65 Ca 0.41 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 1bo0 h LYS 65 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1bo0 h LYS 65 CO -0.14 0.40 -0.01 1.25 -0.57 0.00 0.00 179.45 180.38 1bo0 h HIS 66 N 0.25 1.16 -0.59 -1.35 2.76 -1.06 -2.93 115.15 113.39 1bo0 h HIS 66 Ca 0.08 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 57.96 1bo0 h HIS 66 Cb 0.17 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1bo0 h HIS 66 CO -0.01 1.03 0.03 -0.07 -1.30 0.00 0.00 177.93 177.61 1bo0 h LEU 67 N 0.97 0.96 -0.81 0.26 3.38 0.10 -3.09 115.31 117.08 1bo0 h LEU 67 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1bo0 h LEU 67 Cb 0.57 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1bo0 h LEU 67 CO 0.03 1.00 0.46 0.44 0.09 0.00 0.00 178.44 180.46 1bo0 h ASP 68 N 0.92 1.01 0.00 -0.43 3.32 -0.25 -3.45 116.42 117.54 1bo0 h ASP 68 Ca 0.17 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1bo0 h ASP 68 Cb 0.49 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bo0 h ASP 68 CO 0.02 0.80 0.00 0.29 -1.72 0.00 0.00 179.24 178.64 1bo0 n LYS 69 N -4.42 0.00 -2.70 3.56 5.02 -1.16 -4.42 118.16 114.05 1bo0 n LYS 69 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 1bo0 n LYS 69 Cb 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1bo0 n LYS 69 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bo0 s LYS 70 N 0.00 4.68 0.00 1.97 1.02 -1.26 -4.88 119.74 121.27 1bo0 s LYS 70 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.48 1bo0 s LYS 70 Cb 0.00 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1bo0 s LYS 70 CO 0.00 0.19 0.00 2.41 -0.92 0.00 0.00 175.35 177.03 1bo0 n THR 71 N 2.73 0.00 -3.22 2.17 -1.04 -1.26 -5.12 114.28 108.55 1bo0 n THR 71 Ca 0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.65 1bo0 n THR 71 Cb 0.49 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 1bo0 n THR 71 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1bo0 s GLN 72 N -0.62 4.26 -0.31 -2.82 -0.21 -1.26 -5.05 119.66 113.64 1bo0 s GLN 72 Ca 0.00 0.80 -0.18 0.00 0.02 0.00 0.00 55.36 56.00 1bo0 s GLN 72 Cb 0.00 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1bo0 s GLN 72 CO 0.00 0.60 0.52 0.95 -2.12 0.00 0.00 175.29 175.25 1bo0 s THR 73 N -1.17 5.03 -1.38 -0.19 -4.23 -1.26 -4.97 115.64 107.47 1bo0 s THR 73 Ca 0.32 0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 61.31 1bo0 s THR 73 Cb -0.20 -3.91 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 1bo0 s THR 73 CO 0.20 -0.09 2.49 -0.81 -0.54 0.00 0.00 174.62 175.87 1bo0 n PRO 74 N 5.68 2.96 -2.56 3.99 -0.04 -1.26 -4.95 135.00 138.83 1bo0 n PRO 74 Ca -0.04 -2.19 -0.34 0.00 -0.04 0.00 0.00 63.50 60.88 1bo0 n PRO 74 Cb 0.49 -2.93 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1bo0 n PRO 74 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bo0 s LYS 75 N 2.98 3.86 0.00 0.54 1.02 -1.26 -5.32 119.74 121.56 1bo0 s LYS 75 Ca 0.57 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.92 1bo0 s LYS 75 Cb 0.15 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1bo0 s LYS 75 CO -0.05 -0.38 0.12 -0.11 -0.92 0.00 0.00 175.35 174.00