#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x s ARG 2 N 0.00 0.31 -0.07 0.03 6.06 -1.26 -5.16 118.95 118.87 1o6x s ARG 2 Ca 0.00 0.31 -0.03 0.00 -2.50 0.00 0.00 55.73 53.51 1o6x s ARG 2 Cb 0.00 0.15 0.04 0.00 0.06 0.00 0.00 34.95 35.20 1o6x s ARG 2 CO 0.00 -0.05 0.13 0.45 -2.50 0.00 0.00 175.30 173.33 1o6x s SER 3 N -0.08 0.53 -0.10 -2.12 0.15 -1.26 -5.14 113.70 105.68 1o6x s SER 3 Ca 0.05 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.67 1o6x s SER 3 Cb -0.04 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.51 1o6x s SER 3 CO -0.09 -0.21 0.69 -1.48 1.20 0.00 0.00 173.24 173.34 1o6x s LEU 4 N 1.90 -0.67 0.04 3.45 0.05 -1.26 -5.17 118.68 117.02 1o6x s LEU 4 Ca -0.01 0.89 0.02 0.00 0.05 0.00 0.00 54.13 55.08 1o6x s LEU 4 Cb -0.12 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.49 1o6x s LEU 4 CO -0.05 -0.52 0.05 -0.70 -0.55 0.00 0.00 176.35 174.58 1o6x s GLU 5 N -0.81 2.88 0.47 1.48 2.12 -1.26 -5.12 118.70 118.46 1o6x s GLU 5 Ca -0.08 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 1o6x s GLU 5 Cb -0.01 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 1o6x s GLU 5 CO 0.08 0.60 0.73 0.95 -0.54 0.00 0.00 175.26 177.08 1o6x s THR 6 N -1.25 4.44 0.07 -1.70 -4.23 -1.26 -5.10 115.64 106.62 1o6x s THR 6 Ca 0.25 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1o6x s THR 6 Cb -0.12 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.06 1o6x s THR 6 CO 0.16 -0.57 0.13 0.33 -0.54 0.00 0.00 174.62 174.14 1o6x n PHE 7 N -2.18 -1.14 -3.82 3.99 7.35 -1.26 -5.19 117.46 115.22 1o6x n PHE 7 Ca 0.00 -0.36 -0.09 0.00 -0.76 0.00 0.00 57.45 56.25 1o6x n PHE 7 Cb 0.57 0.16 -0.07 0.00 0.35 0.00 0.00 39.48 40.49 1o6x n PHE 7 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1o6x s VAL 8 N -2.78 0.12 -0.19 -2.13 1.01 -1.26 -5.15 120.40 110.03 1o6x s VAL 8 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 1o6x s VAL 8 Cb -0.01 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1o6x s VAL 8 CO 0.02 -0.56 -0.05 -0.83 0.00 0.00 0.00 175.10 173.68 1o6x s GLY 9 N -2.86 1.05 1.18 4.51 0.00 -1.26 -5.10 107.32 104.84 1o6x s GLY 9 Ca 0.05 -0.99 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 1o6x s GLY 9 CO -0.11 0.96 0.50 2.09 0.00 0.00 0.00 173.10 176.55 1o6x n ASP 10 N 4.82 -2.31 -3.74 1.64 5.68 -1.26 -4.13 116.55 117.25 1o6x n ASP 10 Ca -0.12 -0.23 -0.13 0.00 -0.50 0.00 0.00 54.79 53.82 1o6x n ASP 10 Cb 0.47 -1.07 -0.11 0.00 -1.14 0.00 0.00 41.12 39.27 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1o6x s GLN 11 N -3.94 0.40 0.52 0.11 0.74 0.32 -4.77 119.66 113.04 1o6x s GLN 11 Ca 0.62 0.53 -0.01 0.00 0.05 0.00 0.00 55.36 56.55 1o6x s GLN 11 Cb -0.18 0.15 0.01 0.00 1.10 0.00 0.00 33.01 34.10 1o6x s GLN 11 CO 0.64 -0.07 0.77 0.08 -0.55 0.00 0.00 175.29 176.16 1o6x s VAL 12 N 0.41 3.46 -0.01 1.34 1.01 -1.24 0.33 120.40 125.69 1o6x s VAL 12 Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1o6x s VAL 12 Cb -0.04 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1o6x s VAL 12 CO -0.02 -0.25 0.62 -1.48 0.00 0.00 0.00 175.10 173.97 1o6x s LEU 13 N -4.74 -0.44 0.10 3.92 0.05 -1.04 -3.32 118.68 113.20 1o6x s LEU 13 Ca 0.53 0.52 -0.03 0.00 0.05 0.00 0.00 54.13 55.19 1o6x s LEU 13 Cb -0.10 2.38 -0.05 0.00 -2.05 0.00 0.00 46.19 46.37 1o6x s LEU 13 CO 0.40 -0.65 0.31 -0.70 -0.55 0.00 0.00 176.35 175.16 1o6x s GLU 14 N -1.63 3.56 -0.00 1.48 2.12 0.70 -3.19 118.70 121.73 1o6x s GLU 14 Ca -0.09 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.05 1o6x s GLU 14 Cb -0.01 -2.95 -0.00 0.00 0.26 0.00 0.00 34.13 31.43 1o6x s GLU 14 CO 0.06 0.54 -0.04 0.42 -0.54 0.00 0.00 175.26 175.70 1o6x s ILE 15 N -1.56 0.28 -0.37 -3.70 1.01 -0.19 0.46 121.20 117.13 1o6x s ILE 15 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1o6x s ILE 15 Cb -0.13 -0.25 0.13 0.00 0.01 0.00 0.00 42.46 42.22 1o6x s ILE 15 CO 0.24 0.05 0.19 -0.69 0.00 0.00 0.00 174.94 174.73 1o6x s VAL 16 N -0.15 0.73 1.09 2.92 1.01 0.23 -1.17 120.40 125.07 1o6x s VAL 16 Ca 0.01 -1.84 -0.18 0.00 0.00 0.00 0.00 61.98 59.96 1o6x s VAL 16 Cb -0.02 -1.53 0.25 0.00 0.00 0.00 0.00 36.38 35.08 1o6x s VAL 16 CO -0.00 -0.86 1.23 -2.16 0.00 0.00 0.00 175.10 173.31 1o6x s PRO 17 N 1.04 -0.38 0.00 2.72 0.04 -1.26 -4.16 135.00 133.00 1o6x s PRO 17 Ca 0.15 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1o6x s PRO 17 Cb -0.22 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1o6x s PRO 17 CO -0.09 -3.12 0.00 -1.13 0.04 0.00 0.00 177.00 172.70 1o6x n SER 18 N -4.29 0.00 -4.80 6.66 3.41 -1.26 -4.14 113.62 109.20 1o6x n SER 18 Ca 0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 1o6x n SER 18 Cb 0.59 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.68 1o6x n SER 18 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1o6x n ASN 19 N -2.09 2.36 0.08 4.04 4.13 -1.26 -4.73 115.26 117.80 1o6x n ASN 19 Ca 0.00 -2.66 -0.23 0.00 1.68 0.00 0.00 54.58 53.38 1o6x n ASN 19 Cb 0.00 -0.23 -0.15 0.00 -1.54 0.00 0.00 39.78 37.86 1o6x n ASN 19 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1o6x h GLU 20 N 0.00 0.40 -0.42 3.52 3.07 -1.99 -3.24 114.58 115.93 1o6x h GLU 20 Ca -0.30 -0.68 0.08 0.00 -0.50 0.00 0.00 59.36 57.97 1o6x h GLU 20 Cb 1.22 0.25 -0.08 0.00 -0.84 0.00 0.00 28.75 29.31 1o6x h GLU 20 CO 0.45 1.32 -0.08 1.49 -1.40 0.00 0.00 179.01 180.79 1o6x h GLU 21 N -0.03 0.02 -0.61 2.33 4.81 -1.96 1.52 114.58 120.65 1o6x h GLU 21 Ca -0.29 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1o6x h GLU 21 Cb 1.99 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.32 1o6x h GLU 21 CO 0.18 0.01 0.32 1.96 -0.73 0.00 0.00 179.01 180.75 1o6x h GLN 22 N 0.02 0.59 -0.32 1.92 7.50 -1.87 0.60 115.11 123.54 1o6x h GLN 22 Ca 0.20 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.23 1o6x h GLN 22 Cb 0.30 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1o6x h GLN 22 CO -0.41 0.39 -0.13 0.82 -1.50 0.00 0.00 178.83 177.99 1o6x h ILE 23 N 0.61 1.29 0.00 2.54 2.04 -1.15 -2.00 117.51 120.84 1o6x h ILE 23 Ca 0.27 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1o6x h ILE 23 Cb 0.18 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1o6x h ILE 23 CO -0.18 0.40 0.00 0.50 0.00 0.00 0.00 178.15 178.87 1o6x h LYS 24 N 0.42 0.00 0.19 2.37 3.64 0.28 -1.95 116.57 121.53 1o6x h LYS 24 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1o6x h LYS 24 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1o6x h LYS 24 CO 0.04 0.00 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.16 1o6x h ASN 25 N 0.00 -0.22 0.17 4.20 -0.73 -0.12 -2.54 115.58 116.35 1o6x h ASN 25 Ca 0.00 -0.31 0.01 0.00 1.87 0.00 0.00 56.30 57.86 1o6x h ASN 25 Cb 0.06 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 1o6x h ASN 25 CO 0.00 0.29 -0.52 0.25 -0.37 0.00 0.00 177.43 177.08 1o6x h LEU 26 N -0.82 -1.54 -0.87 0.34 5.85 -1.32 0.10 115.31 117.05 1o6x h LEU 26 Ca -0.03 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.01 1o6x h LEU 26 Cb 0.52 0.56 -0.16 0.00 0.37 0.00 0.00 40.66 41.95 1o6x h LEU 26 CO 0.04 -0.57 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.21 1o6x h LEU 27 N -0.78 -1.09 -1.17 2.25 3.38 -1.62 1.65 115.31 117.94 1o6x h LEU 27 Ca -0.01 0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1o6x h LEU 27 Cb 0.76 0.63 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 1o6x h LEU 27 CO -0.25 -0.30 0.58 -0.61 0.09 0.00 0.00 178.44 177.96 1o6x h GLN 28 N -0.03 0.90 0.42 1.13 -0.00 -0.83 0.42 115.11 117.12 1o6x h GLN 28 Ca 0.37 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.94 1o6x h GLN 28 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1o6x h GLN 28 CO -0.90 0.59 -0.20 1.25 0.00 0.00 0.00 178.83 179.57 1o6x h LEU 29 N 0.92 -0.48 -1.00 -2.39 5.85 0.47 -1.68 115.31 117.00 1o6x h LEU 29 Ca 0.41 0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.40 1o6x h LEU 29 Cb 0.37 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 1o6x h LEU 29 CO -0.18 -0.23 0.58 -0.08 -0.34 0.00 0.00 178.44 178.19 1o6x h GLU 30 N -0.79 0.55 -0.15 1.25 4.22 0.08 0.26 114.58 120.01 1o6x h GLU 30 Ca -0.06 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.37 1o6x h GLU 30 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1o6x h GLU 30 CO 0.10 0.36 0.02 0.00 -2.18 0.00 0.00 179.01 177.31 1o6x h ALA 31 N 1.73 0.14 0.00 2.92 0.00 -0.13 -3.18 119.26 120.74 1o6x h ALA 31 Ca 0.64 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.98 1o6x h ALA 31 Cb 1.23 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1o6x h ALA 31 CO -0.48 -0.43 1.43 1.04 0.00 0.00 0.00 179.25 180.81 1o6x n GLN 32 N -5.10 0.00 -1.57 0.00 1.13 0.92 -4.64 117.38 108.12 1o6x n GLN 32 Ca -0.04 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.89 1o6x n GLN 32 Cb 0.08 -1.41 -0.11 0.00 0.11 0.00 0.00 30.24 28.91 1o6x n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1o6x n GLU 33 N 7.47 0.21 0.00 -1.09 1.02 -1.26 -2.29 120.64 124.70 1o6x n GLU 33 Ca 0.56 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1o6x n GLU 33 Cb -0.01 -3.85 0.00 0.00 -0.02 0.00 0.00 31.44 27.56 1o6x n GLU 33 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1o6x n HIS 34 N 19.57 0.00 -0.03 -0.32 1.44 -1.26 -5.02 115.22 129.60 1o6x n HIS 34 Ca 0.42 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 56.10 1o6x n HIS 34 Cb 0.46 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.56 1o6x n HIS 34 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1o6x n LEU 35 N -0.74 0.79 -3.45 2.39 4.77 -0.97 -5.02 117.00 114.77 1o6x n LEU 35 Ca 0.00 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1o6x n LEU 35 Cb 0.00 -0.62 0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1o6x n LEU 35 CO 0.00 -0.44 0.02 0.00 -1.33 0.00 0.00 177.39 175.64 1o6x n GLN 36 N -3.29 -4.17 -1.73 3.23 6.02 -1.20 -4.97 117.38 111.26 1o6x n GLN 36 Ca -0.05 0.77 -0.31 0.00 -0.01 0.00 0.00 57.00 57.40 1o6x n GLN 36 Cb 0.17 -5.53 0.04 0.00 1.02 0.00 0.00 30.24 25.95 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1o6x s LEU 37 N -6.10 3.06 -0.24 1.08 1.02 -1.26 -5.05 118.68 111.19 1o6x s LEU 37 Ca 0.21 1.42 -0.00 0.00 0.02 0.00 0.00 54.13 55.78 1o6x s LEU 37 Cb -0.04 -4.31 0.03 0.00 0.02 0.00 0.00 46.19 41.89 1o6x s LEU 37 CO 0.76 -1.28 -0.10 -1.81 0.02 0.00 0.00 176.35 173.95 1o6x s ASP 38 N -4.05 4.10 -0.23 2.29 1.01 -1.26 -4.93 116.67 113.59 1o6x s ASP 38 Ca 0.57 -0.93 -0.20 0.00 0.71 0.00 0.00 52.55 52.70 1o6x s ASP 38 Cb -0.12 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 1o6x s ASP 38 CO 0.54 -0.11 0.59 -0.36 0.21 0.00 0.00 175.17 176.04 1o6x s PHE 39 N 1.27 3.32 0.00 4.23 0.08 -1.26 -4.16 117.98 121.46 1o6x s PHE 39 Ca -0.01 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1o6x s PHE 39 Cb -0.17 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1o6x s PHE 39 CO -0.06 -0.25 0.94 0.91 -0.10 0.00 0.00 175.22 176.66 1o6x n TRP 40 N 5.37 0.00 -2.99 0.36 7.02 -1.06 -3.97 117.44 122.17 1o6x n TRP 40 Ca -0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 1o6x n TRP 40 Cb 0.49 -0.44 -0.05 0.00 -2.42 0.00 0.00 31.31 28.89 1o6x n TRP 40 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1o6x s LYS 41 N -2.76 3.21 -0.91 -0.99 2.20 -1.26 -4.94 119.74 114.29 1o6x s LYS 41 Ca 0.00 -0.62 -0.26 0.00 -0.36 0.00 0.00 55.97 54.73 1o6x s LYS 41 Cb 0.00 -4.10 -0.21 0.00 -1.51 0.00 0.00 37.83 32.01 1o6x s LYS 41 CO 0.00 -1.41 2.39 -1.13 -0.36 0.00 0.00 175.35 174.84 1o6x n SER 42 N 6.89 0.08 -2.58 1.43 3.41 -1.25 -4.62 113.62 116.97 1o6x n SER 42 Ca -0.03 0.09 -0.17 0.00 -0.26 0.00 0.00 58.87 58.50 1o6x n SER 42 Cb 0.46 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 1o6x n SER 42 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1o6x n PRO 43 N 7.38 2.02 0.13 4.33 -0.04 -1.26 -4.28 135.00 143.28 1o6x n PRO 43 Ca 0.60 -1.17 -0.24 0.00 -0.04 0.00 0.00 63.50 62.65 1o6x n PRO 43 Cb 0.04 -2.17 -0.16 0.00 -0.04 0.00 0.00 33.50 31.17 1o6x n PRO 43 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1o6x h THR 44 N 2.66 1.26 -2.39 0.52 2.02 -1.93 -3.46 112.91 111.60 1o6x h THR 44 Ca 0.35 -2.66 -0.55 0.00 0.77 0.00 0.00 66.41 64.32 1o6x h THR 44 Cb 0.76 3.03 -0.14 0.00 -1.74 0.00 0.00 68.15 70.06 1o6x h THR 44 CO 0.82 0.81 -0.70 0.42 0.37 0.00 0.00 175.52 177.24 1o6x s THR 45 N -2.58 1.99 0.48 3.16 -4.23 -1.26 -4.85 115.64 108.35 1o6x s THR 45 Ca -0.10 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.11 1o6x s THR 45 Cb 0.04 -2.42 0.11 0.00 1.34 0.00 0.00 72.50 71.57 1o6x s THR 45 CO 0.93 -0.33 0.52 -0.81 -0.54 0.00 0.00 174.62 174.39 1o6x n PRO 46 N -0.62 -1.24 -1.43 3.99 -0.04 -1.26 -4.18 135.00 130.21 1o6x n PRO 46 Ca -0.06 -0.82 -0.15 0.00 -0.04 0.00 0.00 63.50 62.43 1o6x n PRO 46 Cb 0.62 -0.65 -0.06 0.00 -0.04 0.00 0.00 33.50 33.37 1o6x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1o6x n GLY 47 N 0.31 1.51 2.80 0.55 0.00 -1.26 -4.96 105.19 104.14 1o6x n GLY 47 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1o6x n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o6x s GLU 48 N -3.23 -0.02 0.19 1.61 -1.05 -1.26 -5.11 118.70 109.83 1o6x s GLU 48 Ca 0.00 0.22 -0.24 0.00 -0.15 0.00 0.00 54.97 54.80 1o6x s GLU 48 Cb 0.00 -0.23 -0.08 0.00 -0.44 0.00 0.00 34.13 33.37 1o6x s GLU 48 CO 0.00 -0.17 0.78 0.95 0.95 0.00 0.00 175.26 177.77 1o6x s THR 49 N 1.09 4.40 0.21 1.83 -4.23 -1.26 -4.36 115.64 113.32 1o6x s THR 49 Ca -0.09 1.61 0.10 0.00 -1.18 0.00 0.00 61.69 62.13 1o6x s THR 49 Cb -0.13 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1o6x s THR 49 CO -0.04 0.42 -0.12 0.00 -0.54 0.00 0.00 174.62 174.35 1o6x s ALA 50 N -1.27 2.89 -0.29 3.99 0.00 -0.31 -4.55 121.76 122.22 1o6x s ALA 50 Ca 0.38 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1o6x s ALA 50 Cb -0.21 -0.62 0.15 0.00 0.00 0.00 0.00 23.12 22.44 1o6x s ALA 50 CO 0.25 0.41 0.38 -1.01 0.00 0.00 0.00 175.76 175.78 1o6x s HIS 51 N -1.89 -0.85 0.10 0.00 3.76 -1.26 -1.02 115.29 114.13 1o6x s HIS 51 Ca 0.26 0.24 0.08 0.00 -0.15 0.00 0.00 55.06 55.48 1o6x s HIS 51 Cb -0.08 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1o6x s HIS 51 CO 0.15 -0.95 -0.13 0.54 -0.85 0.00 0.00 174.74 173.51 1o6x s VAL 52 N 2.50 3.18 -0.95 -0.90 0.11 -1.19 -2.58 120.40 120.58 1o6x s VAL 52 Ca 0.10 -1.32 -0.17 0.00 -2.93 0.00 0.00 61.98 57.65 1o6x s VAL 52 Cb -0.13 -2.47 0.15 0.00 -1.53 0.00 0.00 36.38 32.40 1o6x s VAL 52 CO -0.30 0.13 1.10 -0.13 -3.33 0.00 0.00 175.10 172.58 1o6x s ARG 53 N -2.12 3.66 0.19 1.54 0.52 -1.26 -2.49 118.95 118.99 1o6x s ARG 53 Ca 0.20 -1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 53.28 1o6x s ARG 53 Cb -0.11 -4.85 -0.07 0.00 0.52 0.00 0.00 34.95 30.44 1o6x s ARG 53 CO 0.12 -1.69 0.61 0.54 0.02 0.00 0.00 175.30 174.90 1o6x s VAL 54 N 2.11 4.78 0.19 3.52 0.11 0.15 -4.70 120.40 126.57 1o6x s VAL 54 Ca 0.31 0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 59.97 1o6x s VAL 54 Cb -0.05 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.98 1o6x s VAL 54 CO -0.08 0.16 1.12 -2.16 -3.33 0.00 0.00 175.10 170.80 1o6x s PRO 55 N -2.17 4.58 0.33 1.54 0.04 -1.26 0.12 135.00 138.18 1o6x s PRO 55 Ca 0.42 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.31 1o6x s PRO 55 Cb -0.14 -3.26 0.88 0.00 0.04 0.00 0.00 34.50 32.02 1o6x s PRO 55 CO 0.20 0.06 1.76 0.35 0.04 0.00 0.00 177.00 179.40 1o6x h PHE 56 N 5.01 0.95 0.00 0.56 3.04 -1.86 2.03 116.94 126.68 1o6x h PHE 56 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1o6x h PHE 56 Cb 1.21 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.44 1o6x h PHE 56 CO 0.62 0.13 0.00 -0.24 -2.02 0.00 0.00 178.31 176.80 1o6x h VAL 57 N 0.61 0.00 -0.08 1.41 3.04 -1.91 -1.16 116.25 118.15 1o6x h VAL 57 Ca 0.61 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1o6x h VAL 57 Cb 1.16 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1o6x h VAL 57 CO -0.40 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 172.96 1o6x n ASN 58 N -3.07 2.31 0.10 3.17 2.85 0.57 -4.55 115.26 116.63 1o6x n ASN 58 Ca -0.01 -2.16 -0.04 0.00 -0.11 0.00 0.00 54.58 52.27 1o6x n ASN 58 Cb 0.21 -0.12 0.05 0.00 1.24 0.00 0.00 39.78 41.16 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1o6x h VAL 59 N 0.50 1.54 0.31 3.44 2.07 0.34 -2.70 116.25 121.75 1o6x h VAL 59 Ca 0.00 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 1o6x h VAL 59 Cb 0.64 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1o6x h VAL 59 CO 0.01 0.76 -0.15 -0.61 0.02 0.00 0.00 177.57 177.60 1o6x h GLN 60 N 0.00 -0.41 -1.05 1.57 5.75 -1.80 0.47 115.11 119.64 1o6x h GLN 60 Ca -0.01 0.03 0.28 0.00 -0.15 0.00 0.00 58.65 58.80 1o6x h GLN 60 Cb 1.39 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.92 1o6x h GLN 60 CO 0.10 -0.27 0.65 0.00 -2.65 0.00 0.00 178.83 176.66 1o6x h ALA 61 N -1.29 2.10 -0.01 3.38 0.00 -1.85 0.89 119.26 122.48 1o6x h ALA 61 Ca -0.04 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1o6x h ALA 61 Cb 0.32 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1o6x h ALA 61 CO 0.07 -0.58 -1.03 0.28 0.00 0.00 0.00 179.25 178.00 1o6x h VAL 62 N 0.42 1.28 -0.07 0.00 2.07 -1.50 -1.82 116.25 116.63 1o6x h VAL 62 Ca 0.65 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1o6x h VAL 62 Cb 1.54 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1o6x h VAL 62 CO -0.41 0.69 -0.06 0.50 0.02 0.00 0.00 177.57 178.31 1o6x h LYS 63 N 0.40 0.09 0.05 1.57 3.64 0.54 -1.20 116.57 121.66 1o6x h LYS 63 Ca -0.12 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 58.96 1o6x h LYS 63 Cb 1.68 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.51 1o6x h LYS 63 CO 0.20 0.17 -1.12 0.28 -2.27 0.00 0.00 179.45 176.71 1o6x h VAL 64 N 0.09 1.28 -0.15 2.00 2.07 0.51 -3.04 116.25 119.02 1o6x h VAL 64 Ca 0.02 -2.33 0.03 0.00 0.82 0.00 0.00 66.70 65.24 1o6x h VAL 64 Cb 0.18 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1o6x h VAL 64 CO 0.01 0.71 -0.02 0.15 0.02 0.00 0.00 177.57 178.44 1o6x h PHE 65 N 0.33 -0.05 -0.19 1.57 3.57 -0.43 0.92 116.94 122.66 1o6x h PHE 65 Ca -0.15 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.41 1o6x h PHE 65 Cb 1.78 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.52 1o6x h PHE 65 CO 0.11 -0.05 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.95 1o6x h LEU 66 N 0.02 -0.41 -1.31 0.59 3.38 -1.33 1.58 115.31 117.82 1o6x h LEU 66 Ca 0.07 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1o6x h LEU 66 Cb 0.10 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1o6x h LEU 66 CO -0.14 -0.16 -0.16 -0.33 0.09 0.00 0.00 178.44 177.74 1o6x h GLU 67 N -0.12 0.26 -0.04 1.13 4.39 -1.33 0.28 114.58 119.16 1o6x h GLU 67 Ca 0.11 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1o6x h GLU 67 Cb 0.29 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1o6x h GLU 67 CO -0.26 0.43 -0.08 0.66 -1.16 0.00 0.00 179.01 178.59 1o6x h SER 68 N 0.25 0.13 0.00 1.42 4.64 0.27 -2.83 113.55 117.43 1o6x h SER 68 Ca 0.05 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1o6x h SER 68 Cb 0.44 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1o6x h SER 68 CO 0.03 0.69 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1o6x n GLN 69 N -4.70 0.67 -3.53 4.77 10.64 0.52 -4.86 117.38 120.89 1o6x n GLN 69 Ca -0.08 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.88 1o6x n GLN 69 Cb 0.34 -1.35 0.05 0.00 -0.86 0.00 0.00 30.24 28.43 1o6x n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1o6x n GLY 70 N 0.28 -0.69 3.84 2.61 0.00 -0.47 -4.78 105.19 105.98 1o6x n GLY 70 Ca 0.11 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1o6x n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1o6x s ILE 71 N -3.50 1.38 -0.11 -0.61 2.07 0.88 -5.02 121.20 116.29 1o6x s ILE 71 Ca 0.23 -1.73 0.01 0.00 -1.41 0.00 0.00 60.65 57.74 1o6x s ILE 71 Cb -0.05 -2.11 0.02 0.00 0.13 0.00 0.00 42.46 40.44 1o6x s ILE 71 CO 0.79 0.00 -0.13 0.00 -1.91 0.00 0.00 174.94 173.69 1o6x s ALA 72 N -2.83 1.57 0.00 1.50 0.00 -1.26 -4.62 121.76 116.11 1o6x s ALA 72 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1o6x s ALA 72 Cb -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1o6x s ALA 72 CO 0.12 -0.15 0.00 2.48 0.00 0.00 0.00 175.76 178.21 1o6x n TYR 73 N 4.36 0.00 -3.51 0.00 4.11 -1.26 -0.60 117.16 120.27 1o6x n TYR 73 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.61 1o6x n TYR 73 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.83 1o6x n TYR 73 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1o6x s SER 74 N -0.90 -0.49 -0.28 9.48 0.15 0.17 -4.90 113.70 116.92 1o6x s SER 74 Ca 0.00 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 1o6x s SER 74 Cb 0.00 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 1o6x s SER 74 CO 0.00 -1.00 0.21 -0.63 1.20 0.00 0.00 173.24 173.02 1o6x s ILE 75 N -3.71 5.29 0.00 6.45 1.01 -1.26 -0.21 121.20 128.77 1o6x s ILE 75 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1o6x s ILE 75 Cb -0.02 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1o6x s ILE 75 CO -0.09 0.22 0.00 0.23 0.00 0.00 0.00 174.94 175.30 1o6x n MET 76 N 5.09 0.00 -4.35 2.79 2.81 -1.21 -4.89 117.12 117.36 1o6x n MET 76 Ca -0.13 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.41 1o6x n MET 76 Cb 0.52 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.93 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 1o6x s ILE 77 N 0.06 4.34 0.00 2.02 1.10 -1.26 -5.05 121.20 122.41 1o6x s ILE 77 Ca 0.00 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 59.91 1o6x s ILE 77 Cb 0.00 -2.83 0.00 0.00 0.15 0.00 0.00 42.46 39.78 1o6x s ILE 77 CO 0.00 0.60 0.00 -0.62 -2.11 0.00 0.00 174.94 172.81 1o6x n GLU 78 N 2.21 3.39 -2.46 3.50 4.71 -1.26 -3.73 120.64 127.00 1o6x n GLU 78 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.54 1o6x n GLU 78 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1o6x n ASP 79 N 0.00 4.93 -4.54 1.62 9.92 -1.26 -4.86 116.55 122.36 1o6x n ASP 79 Ca 0.00 -3.01 -0.42 0.00 -0.53 0.00 0.00 54.79 50.83 1o6x n ASP 79 Cb 0.00 -1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 38.85 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1o6x s VAL 80 N 1.61 4.87 -2.00 2.53 0.11 -1.26 -5.18 120.40 121.09 1o6x s VAL 80 Ca 0.43 0.33 0.05 0.00 -2.93 0.00 0.00 61.98 59.86 1o6x s VAL 80 Cb 0.06 -4.13 0.14 0.00 -1.53 0.00 0.00 36.38 30.92 1o6x s VAL 80 CO -0.00 -0.44 0.77 0.00 -3.33 0.00 0.00 175.10 172.10