#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 3.30 -0.16 0.03 3.52 -1.26 -4.96 118.95 119.42 1o6x s ARG 2 Ca 0.00 -0.78 -0.40 0.00 -0.13 0.00 0.00 55.73 54.42 1o6x s ARG 2 Cb 0.00 -4.53 -0.18 0.00 -1.56 0.00 0.00 34.95 28.69 1o6x s ARG 2 CO 0.00 -2.02 1.47 -1.13 -0.81 0.00 0.00 175.30 172.81 1o6x n SER 3 N 8.45 1.48 -4.11 -2.12 3.41 -1.26 -4.83 113.62 114.64 1o6x n SER 3 Ca 0.10 1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 59.48 1o6x n SER 3 Cb 0.48 -1.06 0.07 0.00 -0.26 0.00 0.00 64.21 63.44 1o6x n SER 3 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1o6x n LEU 4 N 3.52 -4.04 -4.54 1.04 0.00 -1.26 -4.99 117.00 106.74 1o6x n LEU 4 Ca 0.24 0.17 -0.25 0.00 0.00 0.00 0.00 56.01 56.17 1o6x n LEU 4 Cb 0.10 -0.84 -0.09 0.00 0.00 0.00 0.00 43.42 42.59 1o6x n LEU 4 CO 0.73 -4.81 -0.43 -0.70 0.00 0.00 0.00 177.39 172.19 1o6x s GLU 5 N -2.47 1.92 0.36 1.96 2.12 -1.26 -5.14 118.70 116.19 1o6x s GLU 5 Ca 0.44 -1.53 0.07 0.00 0.36 0.00 0.00 54.97 54.32 1o6x s GLU 5 Cb -0.14 -1.98 -0.00 0.00 0.26 0.00 0.00 34.13 32.27 1o6x s GLU 5 CO 0.76 0.37 0.50 0.95 -0.54 0.00 0.00 175.26 177.30 1o6x s THR 6 N -2.18 3.69 -0.23 -1.70 -4.23 -1.26 -5.12 115.64 104.61 1o6x s THR 6 Ca 0.28 -1.01 -0.32 0.00 -1.18 0.00 0.00 61.69 59.46 1o6x s THR 6 Cb -0.07 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.67 1o6x s THR 6 CO 0.16 -0.10 1.24 0.72 -0.54 0.00 0.00 174.62 176.10 1o6x s PHE 7 N -2.24 -0.13 0.00 3.99 -0.12 -1.26 -5.18 117.98 113.05 1o6x s PHE 7 Ca 0.48 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 1o6x s PHE 7 Cb -0.10 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1o6x s PHE 7 CO 0.32 -0.15 0.00 1.55 -0.05 0.00 0.00 175.22 176.89 1o6x n VAL 8 N 0.33 0.00 0.00 -2.49 3.14 -1.26 -5.12 118.33 112.93 1o6x n VAL 8 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1o6x n VAL 8 Cb 0.58 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1o6x n VAL 8 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o6x n GLY 9 N 5.00 4.16 2.60 7.55 0.00 -1.26 -5.08 105.19 118.17 1o6x n GLY 9 Ca 0.00 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1o6x n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o6x n ASP 10 N 0.00 -0.64 -3.62 1.61 8.00 -1.26 -2.97 116.55 117.67 1o6x n ASP 10 Ca 0.00 -1.19 -0.10 0.00 0.71 0.00 0.00 54.79 54.21 1o6x n ASP 10 Cb 0.00 -0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1o6x s GLN 11 N -4.92 0.55 0.45 -1.24 0.74 0.22 -4.60 119.66 110.87 1o6x s GLN 11 Ca 0.52 0.54 0.05 0.00 0.05 0.00 0.00 55.36 56.52 1o6x s GLN 11 Cb -0.03 0.27 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1o6x s GLN 11 CO 0.37 -0.09 0.63 0.08 -0.55 0.00 0.00 175.29 175.73 1o6x s VAL 12 N -0.02 3.10 -0.11 1.34 1.01 -1.25 0.67 120.40 125.13 1o6x s VAL 12 Ca 0.02 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1o6x s VAL 12 Cb -0.04 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1o6x s VAL 12 CO -0.04 -0.04 0.65 -1.48 0.00 0.00 0.00 175.10 174.18 1o6x s LEU 13 N -4.47 -0.50 -0.25 3.92 0.05 -1.16 -3.66 118.68 112.61 1o6x s LEU 13 Ca 0.54 0.87 -0.12 0.00 0.05 0.00 0.00 54.13 55.47 1o6x s LEU 13 Cb -0.10 2.36 -0.05 0.00 -2.05 0.00 0.00 46.19 46.35 1o6x s LEU 13 CO 0.35 -0.47 0.24 -1.83 -0.55 0.00 0.00 176.35 174.08 1o6x s GLU 14 N -0.70 4.05 0.12 1.48 -1.05 0.86 -3.59 118.70 119.87 1o6x s GLU 14 Ca -0.08 -0.15 0.08 0.00 -0.15 0.00 0.00 54.97 54.67 1o6x s GLU 14 Cb -0.02 -3.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.05 1o6x s GLU 14 CO 0.07 -0.06 -0.15 0.42 0.95 0.00 0.00 175.26 176.49 1o6x s ILE 15 N 1.40 3.06 -0.33 1.83 1.01 -0.42 0.80 121.20 128.55 1o6x s ILE 15 Ca 0.10 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 1o6x s ILE 15 Cb -0.15 -2.42 0.13 0.00 0.01 0.00 0.00 42.46 40.03 1o6x s ILE 15 CO 0.07 0.09 0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1o6x s VAL 16 N -1.20 0.00 0.64 2.92 1.01 -0.21 -1.30 120.40 122.26 1o6x s VAL 16 Ca 0.20 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1o6x s VAL 16 Cb -0.11 -1.03 0.15 0.00 0.00 0.00 0.00 36.38 35.40 1o6x s VAL 16 CO 0.12 -0.85 0.70 -0.81 0.00 0.00 0.00 175.10 174.26 1o6x n PRO 17 N 4.52 -1.49 0.00 2.72 -0.04 -1.26 -4.18 135.00 135.27 1o6x n PRO 17 Ca 0.05 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1o6x n PRO 17 Cb 0.40 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1o6x n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1o6x n SER 18 N -3.79 0.00 -4.98 3.54 2.88 -1.26 -0.40 113.62 109.61 1o6x n SER 18 Ca 0.09 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.44 1o6x n SER 18 Cb 0.34 0.10 0.06 0.00 -0.75 0.00 0.00 64.21 63.95 1o6x n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o6x s ASN 19 N -1.24 5.11 0.04 -3.46 0.01 -1.26 -4.66 114.94 109.48 1o6x s ASN 19 Ca 0.00 -0.67 -0.08 0.00 -0.71 0.00 0.00 52.86 51.40 1o6x s ASN 19 Cb 0.00 0.04 -0.31 0.00 0.41 0.00 0.00 41.25 41.39 1o6x s ASN 19 CO 0.00 -1.30 1.00 -0.33 -1.51 0.00 0.00 177.10 174.95 1o6x h GLU 20 N 0.16 0.35 -0.57 -0.60 3.07 -2.00 -3.25 114.58 111.74 1o6x h GLU 20 Ca -0.33 -0.60 0.10 0.00 -0.50 0.00 0.00 59.36 58.03 1o6x h GLU 20 Cb 1.28 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 29.34 1o6x h GLU 20 CO 0.42 1.27 0.14 1.49 -1.40 0.00 0.00 179.01 180.92 1o6x h GLU 21 N 0.10 0.27 -0.84 2.33 4.81 -1.96 1.51 114.58 120.80 1o6x h GLU 21 Ca -0.21 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1o6x h GLU 21 Cb 2.05 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.33 1o6x h GLU 21 CO 0.21 0.18 0.49 1.96 -0.73 0.00 0.00 179.01 181.12 1o6x h GLN 22 N 0.28 1.14 -0.14 1.92 7.50 -1.81 0.21 115.11 124.21 1o6x h GLN 22 Ca 0.30 -0.11 -0.22 0.00 0.50 0.00 0.00 58.65 59.12 1o6x h GLN 22 Cb 0.42 -0.24 0.01 0.00 0.05 0.00 0.00 27.48 27.72 1o6x h GLN 22 CO -0.36 0.81 -0.77 0.82 -1.50 0.00 0.00 178.83 177.82 1o6x h ILE 23 N 1.16 1.30 0.00 2.54 2.04 -0.97 -2.42 117.51 121.15 1o6x h ILE 23 Ca 0.30 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1o6x h ILE 23 Cb -0.03 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1o6x h ILE 23 CO -0.05 0.63 0.00 1.17 0.00 0.00 0.00 178.15 179.90 1o6x n LYS 24 N -3.91 0.19 -0.07 2.37 4.81 0.50 -2.67 118.16 119.37 1o6x n LYS 24 Ca -0.07 0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 1o6x n LYS 24 Cb 0.74 -1.86 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 1o6x n LYS 24 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1o6x h ASN 25 N 0.00 0.00 -0.04 3.14 4.21 -0.24 -3.07 115.58 119.58 1o6x h ASN 25 Ca 0.00 -0.60 0.01 0.00 1.21 0.00 0.00 56.30 56.92 1o6x h ASN 25 Cb 0.37 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1o6x h ASN 25 CO 0.00 0.90 -0.27 0.25 -1.29 0.00 0.00 177.43 177.02 1o6x h LEU 26 N -1.00 -0.84 -0.85 1.61 5.85 -1.29 0.71 115.31 119.50 1o6x h LEU 26 Ca -0.04 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1o6x h LEU 26 Cb 0.72 0.32 -0.15 0.00 0.37 0.00 0.00 40.66 41.92 1o6x h LEU 26 CO -0.02 -0.25 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.43 1o6x h LEU 27 N -0.30 -1.20 -1.28 2.25 4.07 -1.69 1.64 115.31 118.80 1o6x h LEU 27 Ca 0.01 0.28 0.08 0.00 0.08 0.00 0.00 57.88 58.33 1o6x h LEU 27 Cb 0.34 0.65 -0.06 0.00 1.08 0.00 0.00 40.66 42.68 1o6x h LEU 27 CO -0.20 -0.29 0.54 -0.61 -1.08 0.00 0.00 178.44 176.79 1o6x h GLN 28 N -0.05 0.81 0.37 1.13 4.15 -1.16 0.39 115.11 120.75 1o6x h GLN 28 Ca 0.34 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1o6x h GLN 28 Cb 0.60 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1o6x h GLN 28 CO -0.88 0.53 -0.18 1.25 -1.93 0.00 0.00 178.83 177.62 1o6x h LEU 29 N 0.83 -0.42 -1.89 -2.39 5.85 0.84 -2.74 115.31 115.39 1o6x h LEU 29 Ca 0.37 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1o6x h LEU 29 Cb 0.34 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1o6x h LEU 29 CO -0.14 -0.19 0.52 -0.08 -0.34 0.00 0.00 178.44 178.22 1o6x h GLU 30 N -0.73 0.00 -0.51 1.25 4.81 0.36 0.71 114.58 120.47 1o6x h GLU 30 Ca -0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1o6x h GLU 30 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1o6x h GLU 30 CO 0.08 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.32 1o6x h ALA 31 N 1.40 0.96 -0.15 2.92 0.00 -0.07 -3.38 119.26 120.93 1o6x h ALA 31 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1o6x h ALA 31 Cb 1.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1o6x h ALA 31 CO -0.00 0.62 0.06 -0.65 0.00 0.00 0.00 179.25 179.28 1o6x s GLN 32 N -4.93 1.24 -0.83 0.00 -1.52 0.25 -4.80 119.66 109.08 1o6x s GLN 32 Ca -0.10 -0.29 -0.22 0.00 -1.95 0.00 0.00 55.36 52.80 1o6x s GLN 32 Cb 0.14 -4.95 -0.20 0.00 -0.22 0.00 0.00 33.01 27.78 1o6x s GLN 32 CO 0.83 -5.34 2.38 0.39 -0.25 0.00 0.00 175.29 173.30 1o6x n GLU 33 N 8.28 0.40 0.04 2.91 1.02 -1.26 -3.14 120.64 128.89 1o6x n GLU 33 Ca 0.42 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1o6x n GLU 33 Cb 0.46 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 1o6x n GLU 33 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1o6x n HIS 34 N 13.29 -2.48 -0.27 -0.32 8.25 -1.26 -4.95 115.22 127.49 1o6x n HIS 34 Ca 0.54 0.29 -0.04 0.00 -0.26 0.00 0.00 57.72 58.25 1o6x n HIS 34 Cb 0.31 1.05 0.11 0.00 1.12 0.00 0.00 29.99 32.58 1o6x n HIS 34 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o6x h LEU 35 N 0.00 1.03 -2.15 2.41 3.38 -1.90 -3.47 115.31 114.62 1o6x h LEU 35 Ca 0.00 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 1o6x h LEU 35 Cb 0.00 -0.27 0.13 0.00 0.09 0.00 0.00 40.66 40.61 1o6x h LEU 35 CO 0.00 0.89 -0.56 0.00 0.09 0.00 0.00 178.44 178.85 1o6x n GLN 36 N -4.30 -3.21 -3.17 1.13 6.02 -1.26 -4.87 117.38 107.72 1o6x n GLN 36 Ca 0.07 0.60 -0.34 0.00 -0.01 0.00 0.00 57.00 57.33 1o6x n GLN 36 Cb 0.15 -4.70 -0.06 0.00 1.02 0.00 0.00 30.24 26.66 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 -4.86 4.17 -0.21 1.08 1.02 -1.26 -4.99 118.68 113.62 1o6x s LEU 37 Ca 0.15 1.27 -0.04 0.00 0.02 0.00 0.00 54.13 55.53 1o6x s LEU 37 Cb -0.02 -3.86 0.09 0.00 0.02 0.00 0.00 46.19 42.43 1o6x s LEU 37 CO 0.51 -0.11 0.19 -0.62 0.02 0.00 0.00 176.35 176.34 1o6x s ASP 38 N -2.08 1.79 -0.31 2.29 2.15 -1.26 -4.94 116.67 114.32 1o6x s ASP 38 Ca 0.49 -0.44 -0.21 0.00 0.43 0.00 0.00 52.55 52.82 1o6x s ASP 38 Cb -0.12 0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 42.68 1o6x s ASP 38 CO 0.19 -0.35 0.68 -0.36 -0.17 0.00 0.00 175.17 175.16 1o6x s PHE 39 N 2.27 3.21 0.17 -5.34 0.08 -1.26 -3.78 117.98 113.32 1o6x s PHE 39 Ca 0.06 0.63 -0.19 0.00 0.12 0.00 0.00 56.93 57.55 1o6x s PHE 39 Cb -0.16 -3.07 0.10 0.00 -0.57 0.00 0.00 43.02 39.33 1o6x s PHE 39 CO -0.15 -0.51 1.63 -1.49 -0.10 0.00 0.00 175.22 174.60 1o6x h TRP 40 N 8.19 -0.54 -2.89 0.36 6.55 -1.93 -3.13 115.95 122.56 1o6x h TRP 40 Ca -0.26 0.05 -0.61 0.00 0.95 0.00 0.00 58.89 59.01 1o6x h TRP 40 Cb 1.11 0.30 -0.42 0.00 -0.86 0.00 0.00 29.16 29.29 1o6x h TRP 40 CO 0.76 -0.29 -0.61 1.17 -1.05 0.00 0.00 178.44 178.42 1o6x n LYS 41 N -5.39 1.79 -1.22 0.49 4.81 -1.26 -5.04 118.16 112.35 1o6x n LYS 41 Ca 0.02 -4.40 -0.41 0.00 -0.87 0.00 0.00 58.31 52.65 1o6x n LYS 41 Cb 0.30 -2.22 -0.02 0.00 0.02 0.00 0.00 35.03 33.10 1o6x n LYS 41 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1o6x n SER 42 N 1.86 -1.50 -2.65 3.14 3.41 -1.18 -4.33 113.62 112.36 1o6x n SER 42 Ca 0.22 0.93 -0.19 0.00 -0.26 0.00 0.00 58.87 59.57 1o6x n SER 42 Cb 0.37 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.97 2.11 0.07 4.33 -0.04 -1.26 -4.62 135.00 136.57 1o6x n PRO 43 Ca 0.14 -1.24 -0.16 0.00 -0.04 0.00 0.00 63.50 62.21 1o6x n PRO 43 Cb 0.26 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 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 2.72 0.00 -2.75 0.52 2.02 -1.90 -3.43 112.91 110.09 1o6x h THR 44 Ca 0.39 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 67.11 1o6x h THR 44 Cb 0.70 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1o6x h THR 44 CO 0.91 0.00 -0.06 0.42 0.37 0.00 0.00 175.52 177.16 1o6x s THR 45 N -5.70 3.59 0.09 3.16 -4.23 -1.26 -5.05 115.64 106.23 1o6x s THR 45 Ca -0.16 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.54 1o6x s THR 45 Cb 0.06 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 1o6x s THR 45 CO 0.60 -0.25 1.15 -2.16 -0.54 0.00 0.00 174.62 173.43 1o6x s PRO 46 N -4.65 4.48 0.00 3.99 0.04 -1.26 -3.16 135.00 134.44 1o6x s PRO 46 Ca 0.51 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1o6x s PRO 46 Cb -0.10 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1o6x s PRO 46 CO 0.39 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1o6x n GLY 47 N 2.87 2.78 3.64 0.56 0.00 0.46 -4.82 105.19 110.68 1o6x n GLY 47 Ca 0.07 -0.53 -0.65 0.00 0.00 0.00 0.00 46.02 44.91 1o6x n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o6x n GLU 48 N 0.00 0.00 -2.44 1.61 0.00 -1.19 -4.25 120.64 114.38 1o6x n GLU 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 1o6x n GLU 48 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 1o6x n GLU 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1o6x s THR 49 N 2.25 3.40 0.16 6.31 -4.23 -1.26 -4.18 115.64 118.09 1o6x s THR 49 Ca 1.00 1.41 0.09 0.00 -1.18 0.00 0.00 61.69 63.02 1o6x s THR 49 Cb -1.43 -3.90 -0.04 0.00 1.34 0.00 0.00 72.50 68.47 1o6x s THR 49 CO 0.75 0.34 -0.20 0.00 -0.54 0.00 0.00 174.62 174.97 1o6x s ALA 50 N -1.15 2.05 -0.32 3.99 0.00 -0.42 -4.73 121.76 121.18 1o6x s ALA 50 Ca 0.45 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1o6x s ALA 50 Cb -0.33 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.72 1o6x s ALA 50 CO 0.42 0.30 0.34 -1.01 0.00 0.00 0.00 175.76 175.81 1o6x s HIS 51 N -1.79 -0.46 0.05 0.00 3.76 -1.25 -1.30 115.29 114.29 1o6x s HIS 51 Ca 0.15 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1o6x s HIS 51 Cb -0.07 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 1o6x s HIS 51 CO 0.07 -0.95 -0.02 0.54 -0.85 0.00 0.00 174.74 173.53 1o6x s VAL 52 N 2.04 3.92 -1.12 -0.90 0.11 -1.24 -2.85 120.40 120.36 1o6x s VAL 52 Ca 0.12 -0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 58.15 1o6x s VAL 52 Cb -0.14 -2.80 0.15 0.00 -1.53 0.00 0.00 36.38 32.06 1o6x s VAL 52 CO -0.22 0.24 1.35 0.00 -3.33 0.00 0.00 175.10 173.15 1o6x s ARG 53 N -1.92 3.93 0.27 1.54 1.70 -1.25 -2.99 118.95 120.23 1o6x s ARG 53 Ca 0.22 -2.28 -0.19 0.00 -0.47 0.00 0.00 55.73 53.02 1o6x s ARG 53 Cb -0.11 -5.05 -0.09 0.00 -0.57 0.00 0.00 34.95 29.13 1o6x s ARG 53 CO 0.14 -1.80 0.76 0.54 -1.08 0.00 0.00 175.30 173.86 1o6x s VAL 54 N 2.11 4.56 0.14 4.99 0.11 0.21 -4.66 120.40 127.86 1o6x s VAL 54 Ca 0.40 1.24 -0.30 0.00 -2.93 0.00 0.00 61.98 60.39 1o6x s VAL 54 Cb -0.03 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1o6x s VAL 54 CO -0.03 0.05 1.13 -2.16 -3.33 0.00 0.00 175.10 170.76 1o6x s PRO 55 N -2.37 4.53 0.38 1.54 0.04 -1.26 0.72 135.00 138.58 1o6x s PRO 55 Ca 0.48 1.73 0.16 0.00 0.04 0.00 0.00 61.00 63.42 1o6x s PRO 55 Cb -0.14 -3.30 1.06 0.00 0.04 0.00 0.00 34.50 32.15 1o6x s PRO 55 CO 0.20 -0.05 1.75 0.35 0.04 0.00 0.00 177.00 179.29 1o6x h PHE 56 N 5.70 0.75 0.00 0.56 3.57 -1.79 2.59 116.94 128.32 1o6x h PHE 56 Ca -0.43 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1o6x h PHE 56 Cb 1.21 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1o6x h PHE 56 CO 0.64 0.05 -0.05 -0.24 -2.23 0.00 0.00 178.31 176.48 1o6x h VAL 57 N 0.43 0.23 0.00 1.41 3.04 -1.91 -1.93 116.25 117.53 1o6x h VAL 57 Ca 0.62 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1o6x h VAL 57 Cb 1.47 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1o6x h VAL 57 CO -0.35 0.05 -1.61 -3.20 -1.01 0.00 0.00 177.57 171.45 1o6x n ASN 58 N -3.31 1.43 -0.35 3.17 5.15 0.65 -4.44 115.26 117.57 1o6x n ASN 58 Ca -0.01 -0.08 0.26 0.00 -0.60 0.00 0.00 54.58 54.15 1o6x n ASN 58 Cb 0.22 1.63 0.51 0.00 -0.53 0.00 0.00 39.78 41.61 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1o6x h VAL 59 N 0.00 0.32 0.08 3.44 2.07 0.43 0.50 116.25 123.10 1o6x h VAL 59 Ca 0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1o6x h VAL 59 Cb 0.67 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1o6x h VAL 59 CO 0.00 0.06 -0.04 -0.61 0.02 0.00 0.00 177.57 177.00 1o6x h GLN 60 N 0.31 -0.11 -1.35 1.57 4.15 -1.77 0.64 115.11 118.56 1o6x h GLN 60 Ca 0.72 0.01 0.40 0.00 0.77 0.00 0.00 58.65 60.55 1o6x h GLN 60 Cb 1.78 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 29.41 1o6x h GLN 60 CO -0.52 -0.07 0.92 0.00 -1.93 0.00 0.00 178.83 177.23 1o6x h ALA 61 N -1.92 2.96 -0.07 3.38 0.00 -1.54 1.51 119.26 123.59 1o6x h ALA 61 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1o6x h ALA 61 Cb 0.09 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1o6x h ALA 61 CO 0.02 -1.45 -0.61 0.28 0.00 0.00 0.00 179.25 177.49 1o6x h VAL 62 N 0.11 1.36 -0.48 0.00 2.07 0.10 -1.39 116.25 118.02 1o6x h VAL 62 Ca 0.72 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1o6x h VAL 62 Cb 2.49 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 34.52 1o6x h VAL 62 CO -0.19 0.58 0.32 0.11 0.02 0.00 0.00 177.57 178.42 1o6x h LYS 63 N 0.13 0.43 0.03 1.57 1.57 0.80 0.12 116.57 121.22 1o6x h LYS 63 Ca -0.06 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 1o6x h LYS 63 Cb 1.27 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1o6x h LYS 63 CO 0.12 0.29 -0.99 0.28 -0.57 0.00 0.00 179.45 178.58 1o6x h VAL 64 N 0.45 1.45 0.49 0.50 2.07 -0.69 -3.10 116.25 117.42 1o6x h VAL 64 Ca 0.21 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1o6x h VAL 64 Cb 0.25 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1o6x h VAL 64 CO -0.05 0.78 -0.23 0.15 0.02 0.00 0.00 177.57 178.23 1o6x h PHE 65 N 0.16 -0.61 -0.38 1.57 3.57 0.19 0.64 116.94 122.09 1o6x h PHE 65 Ca -0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.47 1o6x h PHE 65 Cb 1.64 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.50 1o6x h PHE 65 CO 0.05 -0.30 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.34 1o6x h LEU 66 N -0.84 -1.40 -0.52 0.59 3.38 -0.97 0.33 115.31 115.88 1o6x h LEU 66 Ca -0.07 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 66 Cb 0.58 0.61 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1o6x h LEU 66 CO 0.11 -0.37 0.17 -0.33 0.09 0.00 0.00 178.44 178.11 1o6x h GLU 67 N -0.34 0.34 -0.80 1.13 4.39 -1.52 -0.48 114.58 117.29 1o6x h GLU 67 Ca 0.13 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.92 1o6x h GLU 67 Cb 0.59 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 1o6x h GLU 67 CO -0.55 0.22 0.43 0.66 -1.16 0.00 0.00 179.01 178.60 1o6x h SER 68 N 0.35 0.56 -0.11 1.42 4.64 0.14 0.69 113.55 121.23 1o6x h SER 68 Ca 0.25 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1o6x h SER 68 Cb 0.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1o6x h SER 68 CO -0.27 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1o6x n GLN 69 N -4.82 1.40 -4.02 4.77 10.64 0.95 -4.88 117.38 121.41 1o6x n GLN 69 Ca 0.14 -0.45 -0.32 0.00 -1.83 0.00 0.00 57.00 54.54 1o6x n GLN 69 Cb 0.33 -1.28 -0.02 0.00 -0.86 0.00 0.00 30.24 28.41 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 0.48 -0.45 3.85 2.61 0.00 0.24 -4.58 105.19 107.33 1o6x n GLY 70 Ca 0.04 0.25 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.90 1.91 -0.13 -0.61 2.07 -0.40 -5.00 121.20 115.14 1o6x s ILE 71 Ca 0.18 -1.55 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 1o6x s ILE 71 Cb -0.08 -2.46 0.02 0.00 0.13 0.00 0.00 42.46 40.07 1o6x s ILE 71 CO 0.93 0.00 -0.11 0.00 -1.91 0.00 0.00 174.94 173.85 1o6x s ALA 72 N -2.70 1.56 0.00 1.50 0.00 -1.26 -4.59 121.76 116.28 1o6x s ALA 72 Ca 0.36 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1o6x s ALA 72 Cb -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1o6x s ALA 72 CO 0.21 -0.38 0.00 2.48 0.00 0.00 0.00 175.76 178.07 1o6x n TYR 73 N 4.83 0.00 -3.70 0.00 4.11 -1.26 -1.04 117.16 120.09 1o6x n TYR 73 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.72 1o6x n TYR 73 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.83 1o6x n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1o6x s SER 74 N -0.81 -0.18 -0.19 9.48 0.01 0.24 -4.94 113.70 117.31 1o6x s SER 74 Ca 0.00 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1o6x s SER 74 Cb 0.00 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 1o6x s SER 74 CO 0.00 -0.75 0.17 -0.63 0.41 0.00 0.00 173.24 172.44 1o6x s ILE 75 N -3.10 5.39 -0.13 1.44 1.01 -1.26 -0.10 121.20 124.46 1o6x s ILE 75 Ca 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1o6x s ILE 75 Cb -0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1o6x s ILE 75 CO -0.00 0.43 -0.23 0.80 0.00 0.00 0.00 174.94 175.94 1o6x n MET 76 N 3.48 0.39 -4.83 2.79 1.56 -1.24 -4.83 117.12 114.45 1o6x n MET 76 Ca -0.15 0.25 -0.26 0.00 -0.27 0.00 0.00 57.70 57.27 1o6x n MET 76 Cb 0.52 -1.29 -0.15 0.00 2.15 0.00 0.00 33.22 34.45 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 1o6x s ILE 77 N -2.31 1.59 0.00 1.12 1.10 -1.26 -5.07 121.20 116.38 1o6x s ILE 77 Ca -0.19 -0.98 0.00 0.00 -0.51 0.00 0.00 60.65 58.97 1o6x s ILE 77 Cb 0.03 -1.35 0.00 0.00 0.15 0.00 0.00 42.46 41.29 1o6x s ILE 77 CO 0.28 0.34 0.00 1.21 -2.11 0.00 0.00 174.94 174.66 1o6x n GLU 78 N 2.29 3.41 -3.03 3.50 2.13 -1.26 -3.85 120.64 123.83 1o6x n GLU 78 Ca -0.16 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.22 1o6x n GLU 78 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1o6x n ASP 79 N 0.00 5.51 -4.39 4.31 5.68 -1.26 -4.98 116.55 121.43 1o6x n ASP 79 Ca 0.00 -3.09 -0.51 0.00 -0.50 0.00 0.00 54.79 50.70 1o6x n ASP 79 Cb 0.00 -1.44 -0.11 0.00 -1.14 0.00 0.00 41.12 38.43 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1o6x n VAL 80 N 3.19 0.03 0.00 2.12 3.14 -1.26 -5.28 118.33 120.27 1o6x n VAL 80 Ca 0.31 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 1o6x n VAL 80 Cb 0.39 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04