#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8p s THR 2 N 0.00 5.02 0.80 2.03 -4.23 -1.20 -4.90 115.64 113.15 1r8p s THR 2 Ca 0.00 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.78 1r8p s THR 2 Cb 0.00 -4.19 -0.00 0.00 1.34 0.00 0.00 72.50 69.65 1r8p s THR 2 CO 0.00 -0.65 0.59 -0.81 -0.54 0.00 0.00 174.62 173.22 1r8p n PRO 3 N 5.79 0.14 -4.20 3.99 -0.04 -1.23 -3.08 135.00 136.37 1r8p n PRO 3 Ca -0.08 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 1r8p n PRO 3 Cb 0.45 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.92 1r8p n PRO 3 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1r8p s ILE 4 N -2.06 0.00 -0.08 0.52 -4.36 -1.07 -1.14 121.20 113.01 1r8p s ILE 4 Ca 0.64 -1.83 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 1r8p s ILE 4 Cb -0.30 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 40.87 1r8p s ILE 4 CO 0.59 0.00 0.20 -0.69 0.24 0.00 0.00 174.94 175.29 1r8p s VAL 5 N -3.29 -0.02 -0.24 8.37 1.01 -0.99 -3.94 120.40 121.31 1r8p s VAL 5 Ca 0.36 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1r8p s VAL 5 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1r8p s VAL 5 CO 0.24 0.03 0.07 -1.00 0.00 0.00 0.00 175.10 174.44 1r8p s HIS 6 N 0.55 3.11 -0.17 5.22 3.76 -1.25 -2.20 115.29 124.30 1r8p s HIS 6 Ca -0.04 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1r8p s HIS 6 Cb -0.05 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 1r8p s HIS 6 CO -0.03 -0.28 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.94 1r8p s LEU 7 N 1.45 2.56 0.15 0.89 1.02 -1.04 -3.80 118.68 119.91 1r8p s LEU 7 Ca 0.06 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.72 1r8p s LEU 7 Cb -0.15 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1r8p s LEU 7 CO 0.04 0.06 0.11 -0.75 0.02 0.00 0.00 176.35 175.83 1r8p s LYS 8 N 0.99 1.02 0.00 1.70 2.20 -1.23 -1.63 119.74 122.79 1r8p s LYS 8 Ca -0.02 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 1r8p s LYS 8 Cb -0.15 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1r8p s LYS 8 CO -0.02 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1r8p n GLY 9 N -0.15 0.53 3.67 5.54 0.00 -1.24 -3.50 105.19 110.04 1r8p n GLY 9 Ca -0.04 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1r8p n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r8p s ASP 10 N -4.00 6.60 0.40 1.61 2.15 -1.26 -4.63 116.67 117.54 1r8p s ASP 10 Ca 0.00 2.40 0.18 0.00 0.43 0.00 0.00 52.55 55.55 1r8p s ASP 10 Cb 0.00 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.16 1r8p s ASP 10 CO 0.00 -0.94 1.80 0.00 -0.17 0.00 0.00 175.17 175.86 1r8p h ALA 11 N 9.43 2.21 -0.04 3.66 0.00 -1.91 -0.96 119.26 131.65 1r8p h ALA 11 Ca -0.42 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1r8p h ALA 11 Cb 1.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1r8p h ALA 11 CO 0.94 -0.57 -0.59 -0.91 0.00 0.00 0.00 179.25 178.13 1r8p h ASN 12 N 0.42 0.58 -0.15 0.00 4.21 -2.00 -2.82 115.58 115.81 1r8p h ASN 12 Ca 0.55 -0.72 0.04 0.00 1.21 0.00 0.00 56.30 57.38 1r8p h ASN 12 Cb 1.37 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1r8p h ASN 12 CO -0.25 1.22 0.14 0.74 -1.29 0.00 0.00 177.43 177.98 1r8p h THR 13 N -0.00 0.63 0.10 2.81 2.02 -1.57 -1.29 112.91 115.60 1r8p h THR 13 Ca -0.06 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.83 1r8p h THR 13 Cb 1.27 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1r8p h THR 13 CO 0.12 0.00 -1.38 -0.07 0.37 0.00 0.00 175.52 174.56 1r8p h LEU 14 N 0.00 0.33 -1.10 2.58 3.38 -1.39 -3.21 115.31 115.91 1r8p h LEU 14 Ca 0.07 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1r8p h LEU 14 Cb 0.35 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1r8p h LEU 14 CO -0.00 1.34 0.61 0.50 0.09 0.00 0.00 178.44 180.98 1r8p h LYS 15 N 0.06 1.20 -0.28 1.13 3.64 -0.98 -2.32 116.57 119.01 1r8p h LYS 15 Ca -0.18 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 1r8p h LYS 15 Cb 1.97 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 1r8p h LYS 15 CO 0.17 0.79 -0.45 0.00 -2.27 0.00 0.00 179.45 177.69 1r8p h LEU 17 N 0.59 -0.13 -1.92 0.00 3.38 -1.42 -1.42 115.31 114.38 1r8p h LEU 17 Ca 0.04 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.37 1r8p h LEU 17 Cb 1.01 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1r8p h LEU 17 CO 0.10 -0.07 0.91 -0.09 0.09 0.00 0.00 178.44 179.38 1r8p h ARG 18 N -0.07 0.00 -0.56 1.13 2.43 -1.49 0.28 114.38 116.11 1r8p h ARG 18 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1r8p h ARG 18 Cb 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1r8p h ARG 18 CO -0.06 0.00 0.12 -0.92 -1.51 0.00 0.00 179.97 177.60 1r8p h TYR 19 N 0.00 0.95 0.00 2.20 3.20 -1.33 -2.61 116.97 119.38 1r8p h TYR 19 Ca 0.57 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 62.24 1r8p h TYR 19 Cb 2.38 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 40.38 1r8p h TYR 19 CO 0.00 0.83 -0.34 0.00 -1.64 0.00 0.00 178.16 177.00 1r8p h ARG 20 N 0.80 0.00 0.00 1.82 3.08 -0.50 -2.71 114.38 116.87 1r8p h ARG 20 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1r8p h ARG 20 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1r8p h ARG 20 CO 0.01 0.34 -0.01 0.74 -1.07 0.00 0.00 179.97 179.98 1r8p h PHE 21 N 0.00 0.00 0.00 3.04 0.04 -1.17 -2.54 116.94 116.31 1r8p h PHE 21 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1r8p h PHE 21 Cb 0.81 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.96 1r8p h PHE 21 CO 0.00 0.01 -0.13 0.87 -0.60 0.00 0.00 178.31 178.47 1r8p h LYS 22 N 0.00 0.00 -0.01 1.51 1.79 -1.44 -2.94 116.57 115.48 1r8p h LYS 22 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1r8p h LYS 22 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1r8p h LYS 22 CO 0.00 0.13 -0.15 0.87 -1.08 0.00 0.00 179.45 179.21 1r8p h LYS 23 N 0.00 0.12 -2.13 3.15 1.79 -1.64 -3.31 116.57 114.55 1r8p h LYS 23 Ca -0.00 -0.12 -0.66 0.00 -2.18 0.00 0.00 60.65 57.69 1r8p h LYS 23 Cb 0.26 0.03 -0.21 0.00 -1.58 0.00 0.00 32.23 30.73 1r8p h LYS 23 CO 0.02 0.85 1.00 0.72 -1.08 0.00 0.00 179.45 180.95 1r8p n HIS 24 N -4.59 2.34 0.12 -1.35 8.25 -1.12 -4.69 115.22 114.19 1r8p n HIS 24 Ca -0.09 -2.28 0.07 0.00 -0.26 0.00 0.00 57.72 55.16 1r8p n HIS 24 Cb 0.45 -1.36 0.40 0.00 1.12 0.00 0.00 29.99 30.59 1r8p n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r8p n THR 26 N -2.02 1.36 -0.07 0.00 -2.24 -1.26 -4.30 114.28 105.76 1r8p n THR 26 Ca -0.01 -0.96 -0.22 0.00 -2.27 0.00 0.00 64.05 60.59 1r8p n THR 26 Cb 0.10 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.38 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r8p n LEU 27 N 1.07 2.28 -4.91 3.22 4.77 0.29 -4.97 117.00 118.76 1r8p n LEU 27 Ca 0.22 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 1r8p n LEU 27 Cb 0.71 -1.01 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1r8p n LEU 27 CO 0.19 0.60 0.06 -0.72 -1.33 0.00 0.00 177.39 176.19 1r8p s TYR 28 N -2.47 2.35 -0.23 -1.77 1.13 -1.26 -4.78 117.35 110.33 1r8p s TYR 28 Ca -0.28 -0.58 0.09 0.00 -1.41 0.00 0.00 57.07 54.89 1r8p s TYR 28 Cb 0.07 -2.14 -0.20 0.00 -1.10 0.00 0.00 41.96 38.59 1r8p s TYR 28 CO 0.65 -0.33 -0.09 2.41 -2.51 0.00 0.00 175.55 175.67 1r8p n THR 29 N -1.69 1.42 -3.64 -3.49 -1.04 -0.80 -4.98 114.28 100.05 1r8p n THR 29 Ca 0.04 -0.69 -0.01 0.00 -2.04 0.00 0.00 64.05 61.36 1r8p n THR 29 Cb 0.62 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 68.11 1r8p n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r8p s ALA 30 N -2.50 -2.04 -0.66 2.41 0.00 -1.25 -5.00 121.76 112.72 1r8p s ALA 30 Ca -0.23 2.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.84 1r8p s ALA 30 Cb 0.08 -1.78 0.07 0.00 0.00 0.00 0.00 23.12 21.49 1r8p s ALA 30 CO 0.69 -0.93 0.95 0.08 0.00 0.00 0.00 175.76 176.55 1r8p s VAL 31 N 2.90 4.35 0.66 0.00 1.01 -1.26 -3.45 120.40 124.60 1r8p s VAL 31 Ca -0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1r8p s VAL 31 Cb -0.12 -4.68 -0.00 0.00 0.00 0.00 0.00 36.38 31.58 1r8p s VAL 31 CO -0.19 -1.44 1.25 -0.55 0.00 0.00 0.00 175.10 174.16 1r8p s SER 32 N 3.68 4.61 0.87 3.32 0.15 -1.11 -4.96 113.70 120.26 1r8p s SER 32 Ca 0.22 2.49 -0.11 0.00 0.70 0.00 0.00 55.95 59.24 1r8p s SER 32 Cb -0.17 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 1r8p s SER 32 CO 0.10 -1.99 1.15 -0.44 1.20 0.00 0.00 173.24 173.26 1r8p s SER 33 N -1.64 3.28 0.08 5.45 0.01 -1.26 -4.53 113.70 115.09 1r8p s SER 33 Ca 0.79 2.18 -0.31 0.00 1.31 0.00 0.00 55.95 59.92 1r8p s SER 33 Cb -0.33 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.26 1r8p s SER 33 CO 0.40 -2.87 1.46 -0.89 0.41 0.00 0.00 173.24 171.75 1r8p s THR 34 N -2.57 3.30 -0.12 1.44 2.01 -1.26 -4.62 115.64 113.81 1r8p s THR 34 Ca 0.67 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 1r8p s THR 34 Cb -0.23 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 68.80 1r8p s THR 34 CO 0.56 0.03 0.25 -1.66 -0.69 0.00 0.00 174.62 173.11 1r8p s TRP 35 N 1.79 -0.39 0.76 4.92 1.48 0.87 -4.80 118.94 123.58 1r8p s TRP 35 Ca 0.67 0.91 -0.12 0.00 -1.06 0.00 0.00 56.10 56.51 1r8p s TRP 35 Cb -0.37 -0.06 0.05 0.00 -1.16 0.00 0.00 33.47 31.93 1r8p s TRP 35 CO 0.30 -0.34 1.12 -1.58 -4.06 0.00 0.00 176.95 172.39 1r8p s HIS 36 N 2.33 3.09 -0.10 1.66 2.46 -1.25 -2.75 115.29 120.73 1r8p s HIS 36 Ca 0.01 0.97 -0.06 0.00 0.47 0.00 0.00 55.06 56.45 1r8p s HIS 36 Cb -0.12 -3.22 -0.24 0.00 -0.13 0.00 0.00 32.58 28.87 1r8p s HIS 36 CO -0.08 -1.51 3.34 0.91 -2.47 0.00 0.00 174.74 174.93 1r8p n TRP 37 N -3.21 0.15 -3.89 3.88 5.03 -1.26 -4.80 117.44 113.35 1r8p n TRP 37 Ca 0.07 -1.49 -0.09 0.00 3.03 0.00 0.00 57.50 59.02 1r8p n TRP 37 Cb 0.58 -1.56 -0.06 0.00 -1.03 0.00 0.00 31.31 29.24 1r8p n TRP 37 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1r8p s THR 38 N 1.24 0.05 0.01 -0.99 -1.32 -1.26 -5.18 115.64 108.18 1r8p s THR 38 Ca 0.62 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1r8p s THR 38 Cb 0.29 -1.78 -0.00 0.00 -1.51 0.00 0.00 72.50 69.49 1r8p s THR 38 CO -0.00 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 1r8p n GLY 39 N -0.27 4.07 7.00 6.08 0.00 -1.26 -5.06 105.19 115.75 1r8p n GLY 39 Ca -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1r8p n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r8p n HIS 40 N -0.01 0.00 -3.41 1.61 -0.00 -1.26 -4.44 115.22 107.70 1r8p n HIS 40 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.53 1r8p n HIS 40 Cb 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.91 1r8p n HIS 40 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1r8p s ASN 41 N -4.00 1.86 -0.08 0.26 3.84 -1.26 -5.13 114.94 110.43 1r8p s ASN 41 Ca 0.00 -1.13 -0.02 0.00 0.21 0.00 0.00 52.86 51.92 1r8p s ASN 41 Cb 0.00 0.35 -0.03 0.00 -0.55 0.00 0.00 41.25 41.02 1r8p s ASN 41 CO 0.00 -0.36 -0.00 0.68 -2.79 0.00 0.00 177.10 174.63 1r8p s VAL 42 N 2.00 4.28 0.03 -5.21 -7.23 -1.26 -5.00 120.40 108.02 1r8p s VAL 42 Ca 0.12 -0.26 0.18 0.00 -1.81 0.00 0.00 61.98 60.21 1r8p s VAL 42 Cb -0.15 -2.80 0.13 0.00 0.56 0.00 0.00 36.38 34.12 1r8p s VAL 42 CO -0.24 0.61 1.64 0.11 -0.31 0.00 0.00 175.10 176.91 1r8p h LYS 43 N 5.16 0.00 -6.64 4.82 1.57 -2.00 -3.45 116.57 116.03 1r8p h LYS 43 Ca -0.51 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.71 1r8p h LYS 43 Cb 1.19 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.58 1r8p h LYS 43 CO 0.54 0.39 0.79 1.58 -0.57 0.00 0.00 179.45 182.19 1r8p n HIS 44 N -3.38 2.49 -1.48 -1.35 -0.00 -1.26 -4.89 115.22 105.35 1r8p n HIS 44 Ca 0.01 0.28 -0.38 0.00 0.46 0.00 0.00 57.72 58.09 1r8p n HIS 44 Cb 0.58 -2.55 0.04 0.00 -0.12 0.00 0.00 29.99 27.94 1r8p n HIS 44 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1r8p n LYS 45 N 2.67 0.56 -3.64 1.57 5.02 -1.26 -5.00 118.16 118.07 1r8p n LYS 45 Ca 0.13 0.22 -0.04 0.00 -2.02 0.00 0.00 58.31 56.60 1r8p n LYS 45 Cb 0.33 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 1r8p n LYS 45 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1r8p s SER 46 N -1.22 -0.57 -0.30 4.39 1.04 -1.26 -5.13 113.70 110.66 1r8p s SER 46 Ca 0.70 0.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 1r8p s SER 46 Cb -0.43 1.20 0.19 0.00 0.10 0.00 0.00 66.02 67.08 1r8p s SER 46 CO 0.53 -0.15 0.74 0.00 0.98 0.00 0.00 173.24 175.35 1r8p s ALA 47 N 1.26 -2.69 -0.04 5.32 0.00 -1.26 -4.64 121.76 119.70 1r8p s ALA 47 Ca -0.08 1.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1r8p s ALA 47 Cb -0.04 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1r8p s ALA 47 CO -0.15 -1.47 0.10 0.42 0.00 0.00 0.00 175.76 174.66 1r8p s ILE 48 N 2.89 -0.03 0.45 0.00 1.01 -1.11 -3.69 121.20 120.71 1r8p s ILE 48 Ca 0.14 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1r8p s ILE 48 Cb -0.12 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1r8p s ILE 48 CO -0.19 0.05 0.07 0.55 0.00 0.00 0.00 174.94 175.42 1r8p n VAL 49 N 3.77 0.00 -3.91 2.92 3.14 -0.64 0.30 118.33 123.90 1r8p n VAL 49 Ca -0.22 -2.34 -0.09 0.00 -2.96 0.00 0.00 64.34 58.73 1r8p n VAL 49 Cb 0.54 0.65 -0.08 0.00 -1.06 0.00 0.00 33.84 33.89 1r8p n VAL 49 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r8p s THR 50 N -2.92 0.15 -0.03 1.55 2.01 -1.26 -2.49 115.64 112.64 1r8p s THR 50 Ca 0.10 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.88 1r8p s THR 50 Cb 0.00 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1r8p s THR 50 CO 0.07 -0.68 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.52 1r8p s LEU 51 N -2.61 1.43 -0.16 4.42 1.43 -0.94 -2.75 118.68 119.50 1r8p s LEU 51 Ca 0.02 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1r8p s LEU 51 Cb 0.03 -0.39 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1r8p s LEU 51 CO -0.09 -0.04 0.26 0.42 0.23 0.00 0.00 176.35 177.14 1r8p s THR 52 N 0.74 5.32 0.17 5.49 -4.23 -1.22 -2.34 115.64 119.56 1r8p s THR 52 Ca -0.09 0.49 0.10 0.00 -1.18 0.00 0.00 61.69 61.01 1r8p s THR 52 Cb -0.12 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1r8p s THR 52 CO -0.00 0.41 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.98 1r8p s TYR 53 N 0.38 2.44 -0.27 3.99 2.02 -0.29 -1.91 117.35 123.70 1r8p s TYR 53 Ca 0.15 -0.31 0.22 0.00 -0.37 0.00 0.00 57.07 56.77 1r8p s TYR 53 Cb -0.13 -1.23 -0.14 0.00 -0.40 0.00 0.00 41.96 40.06 1r8p s TYR 53 CO 0.03 0.46 0.80 -0.25 -1.57 0.00 0.00 175.55 175.02 1r8p n ASP 54 N 0.40 0.45 -3.81 2.29 8.00 -1.26 -3.54 116.55 119.08 1r8p n ASP 54 Ca -0.13 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.26 1r8p n ASP 54 Cb 0.55 1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 42.72 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r8p s SER 55 N -4.59 -0.19 0.25 -2.24 1.04 -1.26 -4.87 113.70 101.84 1r8p s SER 55 Ca -0.02 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.72 1r8p s SER 55 Cb 0.13 0.39 0.27 0.00 0.10 0.00 0.00 66.02 66.90 1r8p s SER 55 CO 0.85 -0.08 1.89 -0.33 0.98 0.00 0.00 173.24 176.54 1r8p h GLU 56 N 5.76 1.23 -0.27 4.02 5.08 -1.93 -2.75 114.58 125.73 1r8p h GLU 56 Ca -0.26 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1r8p h GLU 56 Cb 1.20 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1r8p h GLU 56 CO 0.39 0.88 -0.10 2.35 -1.00 0.00 0.00 179.01 181.53 1r8p h TRP 57 N 1.25 -0.22 -1.00 4.33 2.91 -2.01 -1.59 115.95 119.62 1r8p h TRP 57 Ca 0.32 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.43 1r8p h TRP 57 Cb -0.02 0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 28.70 1r8p h TRP 57 CO 0.01 -0.15 0.65 0.37 -1.03 0.00 0.00 178.44 178.28 1r8p h GLN 58 N -0.04 1.14 -0.91 2.65 4.15 -1.87 -1.36 115.11 118.86 1r8p h GLN 58 Ca 0.14 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1r8p h GLN 58 Cb 0.25 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1r8p h GLN 58 CO -0.30 0.75 0.60 -0.09 -1.93 0.00 0.00 178.83 177.86 1r8p h ARG 59 N 1.17 1.16 -0.79 1.69 1.12 -1.15 -2.15 114.38 115.43 1r8p h ARG 59 Ca 0.43 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 59.22 1r8p h ARG 59 Cb 0.17 -0.26 -0.04 0.00 -0.01 0.00 0.00 29.97 29.83 1r8p h ARG 59 CO -0.17 0.76 0.45 -0.44 -3.11 0.00 0.00 179.97 177.46 1r8p h ASP 60 N 1.19 0.98 -0.64 -3.80 3.32 -0.76 -2.60 116.42 114.10 1r8p h ASP 60 Ca 0.35 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1r8p h ASP 60 Cb -0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1r8p h ASP 60 CO -0.09 0.78 0.05 1.56 -1.72 0.00 0.00 179.24 179.82 1r8p h GLN 61 N 1.10 1.10 -0.84 3.56 4.20 -1.19 -2.85 115.11 120.19 1r8p h GLN 61 Ca 0.28 -0.32 0.09 0.00 0.06 0.00 0.00 58.65 58.75 1r8p h GLN 61 Cb 0.01 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 1r8p h GLN 61 CO -0.05 1.04 0.50 0.35 -0.67 0.00 0.00 178.83 180.00 1r8p h PHE 62 N 1.01 0.91 -0.02 2.96 3.57 -1.06 0.21 116.94 124.52 1r8p h PHE 62 Ca 0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1r8p h PHE 62 Cb 0.51 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1r8p h PHE 62 CO 0.04 0.40 0.03 -0.07 -2.23 0.00 0.00 178.31 176.48 1r8p h LEU 63 N 0.86 0.00 -0.41 0.59 3.38 -1.27 0.47 115.31 118.93 1r8p h LEU 63 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1r8p h LEU 63 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1r8p h LEU 63 CO -0.22 0.00 -0.79 -1.54 0.09 0.00 0.00 178.44 175.98 1r8p n SER 64 N -3.65 1.42 -0.07 -0.43 3.41 0.53 -4.28 113.62 110.55 1r8p n SER 64 Ca -0.02 -1.21 -0.08 0.00 -0.26 0.00 0.00 58.87 57.30 1r8p n SER 64 Cb 0.12 0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 64.70 1r8p n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8p n GLN 65 N -0.90 0.67 -3.63 4.33 6.02 -0.02 -4.66 117.38 119.18 1r8p n GLN 65 Ca 0.06 0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.74 1r8p n GLN 65 Cb 0.39 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.97 1r8p n GLN 65 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1r8p s VAL 66 N -2.59 4.27 -0.59 5.09 -7.23 -0.13 -5.02 120.40 114.20 1r8p s VAL 66 Ca -0.08 -3.36 -0.29 0.00 -1.81 0.00 0.00 61.98 56.44 1r8p s VAL 66 Cb 0.07 -3.69 -0.16 0.00 0.56 0.00 0.00 36.38 33.16 1r8p s VAL 66 CO 0.83 -1.00 1.89 2.29 -0.31 0.00 0.00 175.10 178.80 1r8p n LYS 67 N 2.96 0.00 -2.97 4.82 2.85 -1.26 -4.81 118.16 119.75 1r8p n LYS 67 Ca 0.15 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 1r8p n LYS 67 Cb 0.38 -1.17 -0.05 0.00 -0.65 0.00 0.00 35.03 33.54 1r8p n LYS 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1r8p s ILE 68 N 5.86 4.76 0.00 0.58 1.01 -1.26 -5.04 121.20 127.11 1r8p s ILE 68 Ca 1.00 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1r8p s ILE 68 Cb -1.07 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 37.22 1r8p s ILE 68 CO 0.45 -0.38 0.00 -0.81 0.00 0.00 0.00 174.94 174.20 1r8p n PRO 69 N 6.33 1.17 -0.00 2.79 -0.04 -1.26 -4.96 135.00 139.03 1r8p n PRO 69 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1r8p n PRO 69 Cb 0.48 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.85 1r8p n PRO 69 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r8p n LYS 70 N 0.00 1.72 0.14 0.54 4.76 -1.26 -4.39 118.16 119.67 1r8p n LYS 70 Ca 0.00 -0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.48 1r8p n LYS 70 Cb 0.00 -1.23 0.05 0.00 -1.84 0.00 0.00 35.03 32.01 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1r8p h THR 71 N 0.00 0.26 -3.45 -0.18 1.35 -1.95 -3.42 112.91 105.52 1r8p h THR 71 Ca 0.00 -1.41 -0.67 0.00 -0.55 0.00 0.00 66.41 63.77 1r8p h THR 71 Cb 0.44 1.94 -0.17 0.00 -1.73 0.00 0.00 68.15 68.64 1r8p h THR 71 CO 0.00 0.15 0.03 -0.63 -0.25 0.00 0.00 175.52 174.81 1r8p s ILE 72 N -3.16 4.90 0.20 6.82 -1.09 -1.26 -4.53 121.20 123.08 1r8p s ILE 72 Ca 0.03 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1r8p s ILE 72 Cb 0.07 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1r8p s ILE 72 CO 0.74 -0.64 0.40 -0.89 -1.23 0.00 0.00 174.94 173.33 1r8p s THR 73 N 2.61 5.18 0.05 2.92 2.01 -1.23 -4.78 115.64 122.40 1r8p s THR 73 Ca 0.18 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1r8p s THR 73 Cb -0.17 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1r8p s THR 73 CO 0.15 -0.15 0.14 -0.69 -0.69 0.00 0.00 174.62 173.39 1r8p s VAL 74 N -1.85 0.13 0.32 3.82 1.01 -1.25 -3.58 120.40 119.00 1r8p s VAL 74 Ca 0.39 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1r8p s VAL 74 Cb -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1r8p s VAL 74 CO 0.28 -0.60 0.24 -0.24 0.00 0.00 0.00 175.10 174.79 1r8p n SER 75 N 0.53 -0.35 -4.78 3.32 2.88 -1.25 -4.92 113.62 109.05 1r8p n SER 75 Ca -0.18 -3.05 -0.27 0.00 -1.33 0.00 0.00 58.87 54.05 1r8p n SER 75 Cb 0.60 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 65.46 1r8p n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1r8p s THR 76 N -3.22 4.39 0.32 2.46 -4.23 -1.26 -3.86 115.64 110.24 1r8p s THR 76 Ca 0.34 -1.10 -0.19 0.00 -1.18 0.00 0.00 61.69 59.56 1r8p s THR 76 Cb 0.02 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.67 1r8p s THR 76 CO 0.24 -0.09 0.80 -0.83 -0.54 0.00 0.00 174.62 174.20 1r8p s GLY 77 N -3.03 0.15 -0.11 3.99 0.00 -1.25 -4.97 107.32 102.10 1r8p s GLY 77 Ca 0.30 -0.51 -0.09 0.00 0.00 0.00 0.00 44.72 44.42 1r8p s GLY 77 CO 0.23 0.01 0.29 -1.36 0.00 0.00 0.00 173.10 172.26 1r8p s PHE 78 N -2.90 -0.33 0.30 1.90 0.08 -1.26 -2.58 117.98 113.19 1r8p s PHE 78 Ca 0.14 0.80 0.10 0.00 0.12 0.00 0.00 56.93 58.09 1r8p s PHE 78 Cb -0.05 0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.46 1r8p s PHE 78 CO 0.09 -0.17 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.38 1r8p s MET 79 N 0.39 2.12 -0.37 0.44 -1.94 -1.18 -4.92 119.30 113.86 1r8p s MET 79 Ca -0.02 -1.61 0.03 0.00 -1.71 0.00 0.00 55.69 52.38 1r8p s MET 79 Cb -0.04 -2.01 0.10 0.00 2.01 0.00 0.00 34.83 34.89 1r8p s MET 79 CO -0.02 0.25 0.09 0.45 -0.01 0.00 0.00 175.02 175.79 1r8p s SER 80 N -3.68 4.84 0.00 3.03 0.15 -1.26 -3.26 113.70 113.52 1r8p s SER 80 Ca 0.33 -2.19 0.00 0.00 0.70 0.00 0.00 55.95 54.79 1r8p s SER 80 Cb -0.04 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1r8p s SER 80 CO 0.19 -0.40 0.00 2.30 1.20 0.00 0.00 173.24 176.53