#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 4.85 0.52 2.03 -4.23 -1.25 -4.89 115.64 112.67 1r8p s THR 2 Ca 0.00 1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 62.07 1r8p s THR 2 Cb 0.00 -4.09 0.01 0.00 1.34 0.00 0.00 72.50 69.76 1r8p s THR 2 CO 0.00 0.32 0.77 -2.16 -0.54 0.00 0.00 174.62 173.01 1r8p s PRO 3 N 0.28 2.85 0.35 3.99 0.04 -1.05 -2.26 135.00 139.19 1r8p s PRO 3 Ca 0.39 -0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.02 1r8p s PRO 3 Cb -0.19 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1r8p s PRO 3 CO 0.21 -0.53 0.39 0.96 0.04 0.00 0.00 177.00 178.07 1r8p s ILE 4 N -2.75 0.00 -0.10 0.56 -4.36 -1.21 0.36 121.20 113.70 1r8p s ILE 4 Ca 0.52 -1.80 -0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1r8p s ILE 4 Cb -0.10 -2.59 0.05 0.00 1.25 0.00 0.00 42.46 41.06 1r8p s ILE 4 CO 0.40 0.00 0.24 -0.69 0.24 0.00 0.00 174.94 175.13 1r8p s VAL 5 N -3.16 -0.05 -0.24 8.37 1.01 -0.95 -3.45 120.40 121.93 1r8p s VAL 5 Ca 0.36 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 1r8p s VAL 5 Cb 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1r8p s VAL 5 CO 0.25 0.06 0.08 -1.00 0.00 0.00 0.00 175.10 174.49 1r8p s HIS 6 N 1.27 3.11 -0.02 5.22 3.76 -1.10 -2.65 115.29 124.89 1r8p s HIS 6 Ca -0.09 -0.31 0.08 0.00 -0.15 0.00 0.00 55.06 54.59 1r8p s HIS 6 Cb -0.10 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 1r8p s HIS 6 CO -0.08 -0.27 -0.25 -1.17 -0.85 0.00 0.00 174.74 172.11 1r8p s LEU 7 N 1.44 2.08 0.17 0.89 2.96 -1.24 -2.50 118.68 122.48 1r8p s LEU 7 Ca 0.06 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1r8p s LEU 7 Cb -0.15 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1r8p s LEU 7 CO 0.04 0.32 0.16 -0.75 -1.32 0.00 0.00 176.35 174.80 1r8p s LYS 8 N -0.61 1.10 0.00 1.98 2.20 -1.16 -2.93 119.74 120.33 1r8p s LYS 8 Ca 0.10 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1r8p s LYS 8 Cb -0.10 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1r8p s LYS 8 CO -0.01 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1r8p n GLY 9 N -0.19 -0.53 3.75 5.54 0.00 -1.26 -3.60 105.19 108.90 1r8p n GLY 9 Ca -0.03 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1r8p n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r8p s ASP 10 N -4.00 6.62 0.22 1.61 1.01 -1.26 -4.77 116.67 116.10 1r8p s ASP 10 Ca 0.00 2.75 -0.08 0.00 0.71 0.00 0.00 52.55 55.92 1r8p s ASP 10 Cb 0.00 -2.64 0.35 0.00 1.01 0.00 0.00 42.92 41.64 1r8p s ASP 10 CO 0.00 -0.71 1.70 0.00 0.21 0.00 0.00 175.17 176.37 1r8p h ALA 11 N 4.41 0.78 -0.25 5.23 0.00 -1.96 -2.04 119.26 125.42 1r8p h ALA 11 Ca -0.47 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r8p h ALA 11 Cb 1.22 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1r8p h ALA 11 CO 0.73 -0.32 0.09 -2.95 0.00 0.00 0.00 179.25 176.81 1r8p h ASN 12 N 0.25 0.35 -0.32 0.00 -1.07 -2.00 -2.48 115.58 110.32 1r8p h ASN 12 Ca 0.35 -0.18 0.07 0.00 0.07 0.00 0.00 56.30 56.60 1r8p h ASN 12 Cb 0.55 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 36.69 1r8p h ASN 12 CO -0.45 0.44 0.22 0.74 0.07 0.00 0.00 177.43 178.45 1r8p h THR 13 N 0.25 0.91 0.00 6.14 2.02 -1.77 0.95 112.91 121.41 1r8p h THR 13 Ca 0.08 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 1r8p h THR 13 Cb 0.20 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1r8p h THR 13 CO -0.01 0.03 -0.41 -0.07 0.37 0.00 0.00 175.52 175.43 1r8p h LEU 14 N 0.14 0.00 -0.95 2.58 3.38 -1.01 -3.17 115.31 116.29 1r8p h LEU 14 Ca 0.15 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1r8p h LEU 14 Cb 0.40 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1r8p h LEU 14 CO -0.02 0.41 0.62 0.50 0.09 0.00 0.00 178.44 180.04 1r8p h LYS 15 N 0.00 1.21 -0.25 1.13 3.64 -0.37 -2.33 116.57 119.60 1r8p h LYS 15 Ca -0.00 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1r8p h LYS 15 Cb 1.07 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1r8p h LYS 15 CO 0.05 0.80 -0.45 0.00 -2.27 0.00 0.00 179.45 177.59 1r8p h LEU 17 N 0.52 -0.61 -1.66 0.00 3.38 -1.47 -1.75 115.31 113.71 1r8p h LEU 17 Ca 0.03 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.27 1r8p h LEU 17 Cb 0.98 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1r8p h LEU 17 CO 0.09 -0.39 0.81 -0.09 0.09 0.00 0.00 178.44 178.95 1r8p h ARG 18 N -0.62 0.00 0.07 1.13 2.43 -1.50 -0.41 114.38 115.48 1r8p h ARG 18 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1r8p h ARG 18 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1r8p h ARG 18 CO 0.05 0.00 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.55 1r8p h TYR 19 N 0.00 -0.09 0.00 2.20 5.03 -1.37 -2.64 116.97 120.10 1r8p h TYR 19 Ca 0.38 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.69 1r8p h TYR 19 Cb 2.00 0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.31 1r8p h TYR 19 CO 0.00 0.17 0.00 0.54 -1.32 0.00 0.00 178.16 177.55 1r8p n ARG 20 N -5.02 0.15 -0.02 1.82 1.74 -0.18 -2.67 116.66 112.47 1r8p n ARG 20 Ca -0.08 0.39 -0.04 0.00 -0.77 0.00 0.00 57.85 57.36 1r8p n ARG 20 Cb 0.16 -1.79 0.20 0.00 -1.02 0.00 0.00 32.46 30.02 1r8p n ARG 20 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1r8p h PHE 21 N 0.00 0.64 0.00 -1.55 -1.00 -1.23 -2.49 116.94 111.31 1r8p h PHE 21 Ca 0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 1r8p h PHE 21 Cb 0.32 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1r8p h PHE 21 CO 0.00 0.71 -0.17 0.87 -1.61 0.00 0.00 178.31 178.11 1r8p h LYS 22 N 0.53 0.00 -0.06 1.51 1.79 -1.56 -2.36 116.57 116.42 1r8p h LYS 22 Ca 0.09 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.34 1r8p h LYS 22 Cb 0.57 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1r8p h LYS 22 CO 0.04 0.17 -0.84 0.87 -1.08 0.00 0.00 179.45 178.61 1r8p h LYS 23 N 0.00 0.67 -1.18 3.15 1.79 -1.61 -3.20 116.57 116.19 1r8p h LYS 23 Ca -0.00 -0.64 -0.48 0.00 -2.18 0.00 0.00 60.65 57.34 1r8p h LYS 23 Cb 0.31 0.16 -0.22 0.00 -1.58 0.00 0.00 32.23 30.90 1r8p h LYS 23 CO 0.02 1.24 0.62 0.72 -1.08 0.00 0.00 179.45 180.98 1r8p n HIS 24 N -3.98 2.42 0.15 -1.35 8.25 -1.00 -4.57 115.22 115.13 1r8p n HIS 24 Ca -0.10 -2.27 0.09 0.00 -0.26 0.00 0.00 57.72 55.18 1r8p n HIS 24 Cb 0.78 -1.10 0.46 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.11 0.56 -0.03 0.00 -2.24 -1.26 -4.19 114.28 105.00 1r8p n THR 26 Ca -0.01 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.92 1r8p n THR 26 Cb 0.13 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.21 1.71 -4.75 3.22 4.32 0.11 -4.95 117.00 117.86 1r8p n LEU 27 Ca 0.19 0.23 -0.23 0.00 -0.02 0.00 0.00 56.01 56.18 1r8p n LEU 27 Cb 0.52 -0.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.84 1r8p n LEU 27 CO 0.15 0.65 -0.17 -0.72 -1.22 0.00 0.00 177.39 176.07 1r8p s TYR 28 N -2.56 2.72 -0.19 -1.77 -0.85 -1.25 -4.86 117.35 108.58 1r8p s TYR 28 Ca -0.16 -0.40 0.17 0.00 -0.52 0.00 0.00 57.07 56.16 1r8p s TYR 28 Cb 0.07 -1.71 -0.24 0.00 0.38 0.00 0.00 41.96 40.46 1r8p s TYR 28 CO 0.78 0.29 0.11 2.41 -1.52 0.00 0.00 175.55 177.62 1r8p n THR 29 N -1.20 1.42 -3.38 -3.49 -1.04 -1.06 -4.94 114.28 100.59 1r8p n THR 29 Ca -0.02 -0.84 0.01 0.00 -2.04 0.00 0.00 64.05 61.16 1r8p n THR 29 Cb 0.61 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 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 -2.12 -0.65 2.41 0.00 -1.21 -4.99 121.76 112.69 1r8p s ALA 30 Ca -0.11 2.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.68 1r8p s ALA 30 Cb 0.06 -1.98 0.08 0.00 0.00 0.00 0.00 23.12 21.29 1r8p s ALA 30 CO 0.82 -1.15 0.90 0.54 0.00 0.00 0.00 175.76 176.87 1r8p s VAL 31 N 2.87 4.47 0.52 0.00 0.11 -1.26 -2.42 120.40 124.68 1r8p s VAL 31 Ca 0.09 -0.58 -0.20 0.00 -2.93 0.00 0.00 61.98 58.36 1r8p s VAL 31 Cb -0.14 -4.63 -0.09 0.00 -1.53 0.00 0.00 36.38 29.99 1r8p s VAL 31 CO -0.20 -1.37 0.73 -1.54 -3.33 0.00 0.00 175.10 169.39 1r8p n SER 32 N 7.29 -0.13 -4.58 3.54 3.41 -0.95 -4.91 113.62 117.29 1r8p n SER 32 Ca -0.05 0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 59.11 1r8p n SER 32 Cb 0.45 -1.25 0.21 0.00 -0.26 0.00 0.00 64.21 63.36 1r8p n SER 32 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r8p s SER 33 N -1.06 1.97 -0.04 4.04 0.15 -1.26 -4.63 113.70 112.87 1r8p s SER 33 Ca 0.68 1.87 -0.30 0.00 0.70 0.00 0.00 55.95 58.90 1r8p s SER 33 Cb -0.49 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.32 1r8p s SER 33 CO 0.54 -3.64 1.60 -0.89 1.20 0.00 0.00 173.24 172.04 1r8p s THR 34 N -2.56 3.58 0.27 6.45 2.01 -1.26 -4.76 115.64 119.37 1r8p s THR 34 Ca 0.67 0.78 0.02 0.00 0.31 0.00 0.00 61.69 63.48 1r8p s THR 34 Cb -0.24 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 34 CO 0.61 -0.05 0.32 -2.67 -0.69 0.00 0.00 174.62 172.13 1r8p n TRP 35 N 6.70 -0.98 -3.82 4.92 4.27 -1.06 -4.96 117.44 122.51 1r8p n TRP 35 Ca 0.16 -1.99 -0.06 0.00 -3.89 0.00 0.00 57.50 51.73 1r8p n TRP 35 Cb 0.43 0.35 -0.01 0.00 -1.36 0.00 0.00 31.31 30.71 1r8p n TRP 35 CO 0.00 0.00 0.00 -3.38 -2.29 0.00 0.00 177.69 172.02 1r8p s HIS 36 N -3.23 -0.14 -0.60 -2.67 -3.43 -1.26 -0.48 115.29 103.48 1r8p s HIS 36 Ca 0.26 -0.27 -0.28 0.00 -0.80 0.00 0.00 55.06 53.97 1r8p s HIS 36 Cb 0.00 0.69 0.03 0.00 -1.43 0.00 0.00 32.58 31.87 1r8p s HIS 36 CO 0.19 -1.10 1.24 -1.58 -2.00 0.00 0.00 174.74 171.49 1r8p s TRP 37 N -3.55 2.51 0.09 0.38 0.23 -1.26 -4.93 118.94 112.42 1r8p s TRP 37 Ca 0.12 0.37 -0.26 0.00 -2.03 0.00 0.00 56.10 54.30 1r8p s TRP 37 Cb -0.04 -4.51 0.09 0.00 0.03 0.00 0.00 33.47 29.04 1r8p s TRP 37 CO 0.05 -1.71 1.13 -0.08 0.96 0.00 0.00 176.95 177.30 1r8p s THR 38 N 5.24 0.00 0.00 2.01 -1.32 -1.26 -4.98 115.64 115.32 1r8p s THR 38 Ca 0.44 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1r8p s THR 38 Cb -0.08 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1r8p s THR 38 CO 0.24 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 1r8p n GLY 39 N -0.64 0.17 0.00 6.08 0.00 -1.26 -5.06 105.19 104.48 1r8p n GLY 39 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1r8p n GLY 39 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r8p n HIS 40 N -1.59 0.00 -4.34 1.61 8.25 -1.26 -5.06 115.22 112.83 1r8p n HIS 40 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1r8p n HIS 40 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1r8p n HIS 40 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1r8p s ASN 41 N -1.00 3.87 -0.05 0.41 3.84 -1.26 -5.13 114.94 115.63 1r8p s ASN 41 Ca 0.00 -0.68 -0.02 0.00 0.21 0.00 0.00 52.86 52.38 1r8p s ASN 41 Cb 0.00 -0.51 0.03 0.00 -0.55 0.00 0.00 41.25 40.22 1r8p s ASN 41 CO 0.00 0.13 0.09 0.68 -2.79 0.00 0.00 177.10 175.20 1r8p s VAL 42 N -1.56 -0.08 -0.50 -5.21 -7.23 -1.26 -5.01 120.40 99.54 1r8p s VAL 42 Ca 0.22 0.25 0.24 0.00 -1.81 0.00 0.00 61.98 60.87 1r8p s VAL 42 Cb -0.09 -0.17 0.14 0.00 0.56 0.00 0.00 36.38 36.83 1r8p s VAL 42 CO 0.12 0.10 1.39 0.50 -0.31 0.00 0.00 175.10 176.90 1r8p h LYS 43 N 7.53 0.00 0.00 4.82 3.64 -2.03 -3.45 116.57 127.08 1r8p h LYS 43 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1r8p h LYS 43 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1r8p h LYS 43 CO 0.38 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 178.28 1r8p n HIS 44 N -2.51 0.00 -4.14 1.91 -0.00 -1.26 -5.05 115.22 104.17 1r8p n HIS 44 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.47 1r8p n HIS 44 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.41 1r8p n HIS 44 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1r8p s LYS 45 N 0.00 2.62 -0.47 -0.41 -0.14 -1.26 -5.08 119.74 115.00 1r8p s LYS 45 Ca 0.00 -0.93 0.05 0.00 -1.36 0.00 0.00 55.97 53.73 1r8p s LYS 45 Cb 0.00 -2.52 0.19 0.00 -1.68 0.00 0.00 37.83 33.82 1r8p s LYS 45 CO 0.00 0.50 0.76 0.45 -0.76 0.00 0.00 175.35 176.30 1r8p s SER 46 N -2.76 -1.30 -0.29 2.83 0.15 -1.26 -4.92 113.70 106.16 1r8p s SER 46 Ca 0.28 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.63 1r8p s SER 46 Cb -0.10 1.69 0.18 0.00 -1.71 0.00 0.00 66.02 66.08 1r8p s SER 46 CO 0.20 -0.07 0.52 0.00 1.20 0.00 0.00 173.24 175.10 1r8p s ALA 47 N 1.12 -1.94 0.01 5.45 0.00 -1.26 -4.59 121.76 120.55 1r8p s ALA 47 Ca 0.26 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1r8p s ALA 47 Cb 0.01 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1r8p s ALA 47 CO -0.06 -1.68 0.04 0.42 0.00 0.00 0.00 175.76 174.48 1r8p s ILE 48 N 2.73 0.09 -0.20 0.00 1.01 0.37 -4.14 121.20 121.06 1r8p s ILE 48 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1r8p s ILE 48 Cb -0.12 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.09 1r8p s ILE 48 CO -0.26 -0.40 -0.06 -0.69 0.00 0.00 0.00 174.94 173.53 1r8p s VAL 49 N -1.26 1.39 0.30 2.92 1.01 -1.15 -2.56 120.40 121.05 1r8p s VAL 49 Ca -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1r8p s VAL 49 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1r8p s VAL 49 CO 0.00 0.05 0.53 -0.89 0.00 0.00 0.00 175.10 174.79 1r8p s THR 50 N 1.49 5.09 -0.00 3.92 2.01 -1.26 -3.62 115.64 123.26 1r8p s THR 50 Ca -0.02 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1r8p s THR 50 Cb -0.17 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 1r8p s THR 50 CO -0.07 -0.40 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.66 1r8p s LEU 51 N -3.84 2.00 -0.22 4.42 1.02 -1.08 -2.24 118.68 118.73 1r8p s LEU 51 Ca 0.41 -0.06 -0.14 0.00 0.02 0.00 0.00 54.13 54.36 1r8p s LEU 51 Cb -0.10 -0.18 -0.04 0.00 0.02 0.00 0.00 46.19 45.89 1r8p s LEU 51 CO 0.33 0.04 0.31 0.42 0.02 0.00 0.00 176.35 177.46 1r8p s THR 52 N -0.07 5.26 0.07 5.49 -4.23 -1.02 -2.25 115.64 118.89 1r8p s THR 52 Ca 0.01 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 1r8p s THR 52 Cb -0.01 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1r8p s THR 52 CO -0.00 0.29 0.02 -0.31 -0.54 0.00 0.00 174.62 174.07 1r8p s TYR 53 N 1.23 3.06 -0.47 3.99 1.51 0.16 -2.56 117.35 124.26 1r8p s TYR 53 Ca 0.15 0.02 0.23 0.00 -1.01 0.00 0.00 57.07 56.46 1r8p s TYR 53 Cb -0.14 -1.59 0.14 0.00 -0.11 0.00 0.00 41.96 40.26 1r8p s TYR 53 CO 0.07 0.49 1.14 -3.47 -1.11 0.00 0.00 175.55 172.66 1r8p n ASP 54 N 0.74 0.72 -3.80 2.29 2.03 -1.26 -2.53 116.55 114.74 1r8p n ASP 54 Ca -0.11 0.12 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1r8p n ASP 54 Cb 0.52 0.45 -0.10 0.00 -0.72 0.00 0.00 41.12 41.27 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1r8p s SER 55 N -4.57 -0.14 0.19 1.67 1.04 -1.26 -4.82 113.70 105.81 1r8p s SER 55 Ca 0.03 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 1r8p s SER 55 Cb 0.12 0.32 0.12 0.00 0.10 0.00 0.00 66.02 66.68 1r8p s SER 55 CO 0.77 -0.36 1.53 -0.33 0.98 0.00 0.00 173.24 175.83 1r8p h GLU 56 N 4.33 0.65 -0.45 4.02 5.08 -1.91 -3.14 114.58 123.16 1r8p h GLU 56 Ca -0.29 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 57.78 1r8p h GLU 56 Cb 1.18 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1r8p h GLU 56 CO 0.39 0.97 0.06 2.35 -1.00 0.00 0.00 179.01 181.78 1r8p h TRP 57 N 0.52 0.10 -0.73 4.33 2.91 -2.01 -0.87 115.95 120.19 1r8p h TRP 57 Ca 0.03 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.16 1r8p h TRP 57 Cb 0.99 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.62 1r8p h TRP 57 CO 0.05 -0.03 0.48 0.37 -1.03 0.00 0.00 178.44 178.28 1r8p h GLN 58 N 0.19 0.69 -0.52 2.65 4.15 -1.93 -2.11 115.11 118.22 1r8p h GLN 58 Ca 0.22 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1r8p h GLN 58 Cb 0.30 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1r8p h GLN 58 CO -0.31 0.45 0.34 -0.09 -1.93 0.00 0.00 178.83 177.29 1r8p h ARG 59 N 0.71 0.66 -0.87 1.69 2.43 -1.18 -2.49 114.38 115.33 1r8p h ARG 59 Ca 0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1r8p h ARG 59 Cb 0.34 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1r8p h ARG 59 CO -0.11 0.44 0.50 0.22 -1.51 0.00 0.00 179.97 179.51 1r8p h ASP 60 N 0.68 1.07 -0.44 -3.80 1.82 -1.23 -2.86 116.42 111.66 1r8p h ASP 60 Ca 0.20 -0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1r8p h ASP 60 Cb -0.05 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.67 1r8p h ASP 60 CO -0.06 0.85 0.06 1.56 -1.61 0.00 0.00 179.24 180.04 1r8p h GLN 61 N 1.21 0.75 -0.06 0.28 4.20 -1.37 -3.07 115.11 117.05 1r8p h GLN 61 Ca 0.31 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1r8p h GLN 61 Cb -0.00 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1r8p h GLN 61 CO -0.05 0.78 -0.13 0.35 -0.67 0.00 0.00 178.83 179.11 1r8p h PHE 62 N 0.60 -0.33 0.00 2.96 3.04 -1.24 0.25 116.94 122.22 1r8p h PHE 62 Ca 0.13 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1r8p h PHE 62 Cb 0.41 0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1r8p h PHE 62 CO 0.03 -0.19 0.01 1.28 -2.02 0.00 0.00 178.31 177.42 1r8p n LEU 63 N -5.27 0.54 0.01 0.59 4.77 -1.10 -1.20 117.00 115.34 1r8p n LEU 63 Ca -0.04 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 56.76 1r8p n LEU 63 Cb 0.19 -0.82 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 1r8p n LEU 63 CO 0.25 -0.94 -0.57 -0.24 -1.33 0.00 0.00 177.39 174.57 1r8p n SER 64 N -2.24 0.31 -0.07 -1.43 2.88 -0.02 -4.41 113.62 108.64 1r8p n SER 64 Ca -0.01 0.12 -0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1r8p n SER 64 Cb 0.05 1.29 -0.14 0.00 -0.75 0.00 0.00 64.21 64.65 1r8p n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r8p n GLN 65 N -2.49 0.68 -2.89 -1.46 6.02 -0.43 -4.81 117.38 111.99 1r8p n GLN 65 Ca -0.07 0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 1r8p n GLN 65 Cb 0.67 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 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 -2.54 4.54 0.17 5.09 -7.23 -0.34 -5.03 120.40 115.07 1r8p s VAL 66 Ca -0.17 0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 1r8p s VAL 66 Cb 0.07 -4.40 -0.07 0.00 0.56 0.00 0.00 36.38 32.54 1r8p s VAL 66 CO 0.76 -0.84 0.94 -0.75 -0.31 0.00 0.00 175.10 174.91 1r8p s LYS 67 N 3.56 4.76 -0.15 4.82 2.20 -1.26 -4.84 119.74 128.83 1r8p s LYS 67 Ca 0.32 1.45 -0.09 0.00 -0.36 0.00 0.00 55.97 57.29 1r8p s LYS 67 Cb -0.12 -3.33 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1r8p s LYS 67 CO 0.23 0.37 0.37 -1.50 -0.36 0.00 0.00 175.35 174.47 1r8p s ILE 68 N -0.60 -0.02 0.72 5.43 2.07 -1.26 -5.08 121.20 122.46 1r8p s ILE 68 Ca 0.43 0.09 -0.08 0.00 -1.41 0.00 0.00 60.65 59.69 1r8p s ILE 68 Cb -0.24 -0.55 0.12 0.00 0.13 0.00 0.00 42.46 41.91 1r8p s ILE 68 CO 0.30 0.04 0.27 -0.81 -1.91 0.00 0.00 174.94 172.83 1r8p n PRO 69 N 4.04 -0.37 -0.12 3.50 -0.04 -1.26 -4.83 135.00 135.92 1r8p n PRO 69 Ca -0.22 -0.45 0.09 0.00 -0.04 0.00 0.00 63.50 62.88 1r8p n PRO 69 Cb 0.55 -1.12 0.30 0.00 -0.04 0.00 0.00 33.50 33.19 1r8p n PRO 69 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1r8p n LYS 70 N -0.32 1.83 0.03 0.54 2.85 -1.26 -3.93 118.16 117.90 1r8p n LYS 70 Ca 0.04 -1.26 -0.08 0.00 -1.05 0.00 0.00 58.31 55.96 1r8p n LYS 70 Cb 0.19 -1.37 -0.13 0.00 -0.65 0.00 0.00 35.03 33.06 1r8p n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r8p h THR 71 N 2.37 1.34 -3.11 0.58 1.03 -1.97 -3.42 112.91 109.74 1r8p h THR 71 Ca 0.00 -3.11 -0.70 0.00 -0.01 0.00 0.00 66.41 62.60 1r8p h THR 71 Cb 0.53 2.68 -0.19 0.00 -1.07 0.00 0.00 68.15 70.09 1r8p h THR 71 CO 0.00 0.78 0.05 -0.63 -0.01 0.00 0.00 175.52 175.70 1r8p s ILE 72 N -2.66 4.88 0.29 0.00 -1.09 -1.25 -4.70 121.20 116.66 1r8p s ILE 72 Ca -0.02 -0.74 -0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1r8p s ILE 72 Cb 0.09 -4.36 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1r8p s ILE 72 CO 0.82 -0.92 0.49 -0.89 -1.23 0.00 0.00 174.94 173.21 1r8p s THR 73 N 2.58 5.14 0.06 2.92 2.01 -1.24 -4.91 115.64 122.21 1r8p s THR 73 Ca 0.13 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1r8p s THR 73 Cb -0.22 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 1r8p s THR 73 CO 0.09 -0.40 0.16 0.54 -0.69 0.00 0.00 174.62 174.32 1r8p s VAL 74 N -2.13 0.14 0.32 3.82 0.11 -1.26 -2.96 120.40 118.44 1r8p s VAL 74 Ca 0.39 -1.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.37 1r8p s VAL 74 Cb -0.10 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1r8p s VAL 74 CO 0.33 -0.63 0.25 -1.20 -3.33 0.00 0.00 175.10 170.51 1r8p n SER 75 N 0.27 -0.38 -4.87 3.54 7.64 -1.04 -4.95 113.62 113.83 1r8p n SER 75 Ca -0.17 -3.06 -0.21 0.00 1.01 0.00 0.00 58.87 56.44 1r8p n SER 75 Cb 0.61 1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 65.26 1r8p n SER 75 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1r8p s THR 76 N -3.23 2.58 0.12 0.44 -4.23 -1.26 -2.69 115.64 107.37 1r8p s THR 76 Ca 0.35 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1r8p s THR 76 Cb 0.02 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.93 1r8p s THR 76 CO 0.25 0.00 0.38 0.61 -0.54 0.00 0.00 174.62 175.31 1r8p n GLY 77 N -1.54 1.29 3.18 3.99 0.00 -1.22 -4.87 105.19 106.01 1r8p n GLY 77 Ca 0.03 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1r8p n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8p s PHE 78 N -5.26 -0.28 0.21 1.61 0.08 -1.26 -3.31 117.98 109.76 1r8p s PHE 78 Ca 0.08 0.65 0.10 0.00 0.12 0.00 0.00 56.93 57.88 1r8p s PHE 78 Cb -0.02 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1r8p s PHE 78 CO 0.04 -0.20 -0.19 -1.64 -0.10 0.00 0.00 175.22 173.13 1r8p s MET 79 N -0.16 1.44 -0.27 0.44 -1.94 -0.96 -4.99 119.30 112.86 1r8p s MET 79 Ca -0.03 -1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 52.38 1r8p s MET 79 Cb -0.03 -1.52 0.09 0.00 2.01 0.00 0.00 34.83 35.38 1r8p s MET 79 CO 0.01 0.30 0.09 0.45 -0.01 0.00 0.00 175.02 175.86 1r8p s SER 80 N -2.97 3.53 0.00 3.03 0.15 -1.26 -3.95 113.70 112.23 1r8p s SER 80 Ca 0.21 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1r8p s SER 80 Cb -0.05 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1r8p s SER 80 CO 0.09 -0.40 0.00 2.30 1.20 0.00 0.00 173.24 176.44