#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 4.30 0.25 2.03 -4.23 -1.21 -5.02 115.64 111.77 1r8p s THR 2 Ca 0.00 -1.38 0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1r8p s THR 2 Cb 0.00 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1r8p s THR 2 CO 0.00 -0.32 -0.08 -2.16 -0.54 0.00 0.00 174.62 171.52 1r8p s PRO 3 N -3.88 2.05 0.13 3.99 0.04 -1.25 -2.48 135.00 133.60 1r8p s PRO 3 Ca 0.34 -1.50 -0.06 0.00 0.04 0.00 0.00 61.00 59.82 1r8p s PRO 3 Cb -0.08 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1r8p s PRO 3 CO 0.25 0.37 0.17 0.96 0.04 0.00 0.00 177.00 178.79 1r8p s ILE 4 N -2.26 0.10 -0.10 0.56 -4.36 -1.25 -3.29 121.20 110.61 1r8p s ILE 4 Ca 0.30 -1.55 -0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1r8p s ILE 4 Cb -0.06 -1.80 0.05 0.00 1.25 0.00 0.00 42.46 41.90 1r8p s ILE 4 CO 0.17 -0.46 0.23 -0.69 0.24 0.00 0.00 174.94 174.42 1r8p s VAL 5 N -3.97 -0.12 -0.30 8.37 1.01 -1.00 -3.40 120.40 121.00 1r8p s VAL 5 Ca 0.17 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1r8p s VAL 5 Cb 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1r8p s VAL 5 CO -0.02 0.08 0.12 -1.00 0.00 0.00 0.00 175.10 174.28 1r8p s HIS 6 N 1.51 3.16 0.12 5.22 3.76 -1.23 -2.51 115.29 125.33 1r8p s HIS 6 Ca -0.07 -0.64 0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1r8p s HIS 6 Cb -0.11 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1r8p s HIS 6 CO -0.08 -0.47 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.94 1r8p s LEU 7 N 1.59 2.46 0.24 0.89 2.96 -1.24 -2.68 118.68 122.90 1r8p s LEU 7 Ca 0.04 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1r8p s LEU 7 Cb -0.17 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1r8p s LEU 7 CO 0.05 0.18 0.24 -0.75 -1.32 0.00 0.00 176.35 174.75 1r8p s LYS 8 N -2.05 1.41 0.00 1.98 2.20 -0.89 -3.21 119.74 119.18 1r8p s LYS 8 Ca 0.15 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1r8p s LYS 8 Cb -0.10 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1r8p s LYS 8 CO 0.07 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1r8p n GLY 9 N -0.37 1.51 3.76 5.54 0.00 -1.26 -3.10 105.19 111.28 1r8p n GLY 9 Ca 0.02 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 6.65 0.60 1.61 1.01 -1.26 -4.46 116.67 120.82 1r8p s ASP 10 Ca 0.00 2.76 0.28 0.00 0.71 0.00 0.00 52.55 56.30 1r8p s ASP 10 Cb 0.00 -2.65 1.39 0.00 1.01 0.00 0.00 42.92 42.68 1r8p s ASP 10 CO 0.00 -0.65 1.80 0.00 0.21 0.00 0.00 175.17 176.53 1r8p h ALA 11 N 3.78 2.21 0.58 5.23 0.00 -1.95 -2.19 119.26 126.93 1r8p h ALA 11 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1r8p h ALA 11 Cb 1.23 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1r8p h ALA 11 CO 0.69 -0.84 -0.28 -0.97 0.00 0.00 0.00 179.25 177.85 1r8p h ASN 12 N 0.00 -0.66 -0.36 0.00 -1.24 -2.01 -2.07 115.58 109.24 1r8p h ASN 12 Ca 0.23 0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.33 1r8p h ASN 12 Cb 1.40 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.60 1r8p h ASN 12 CO -0.00 -0.34 0.25 0.74 -1.29 0.00 0.00 177.43 176.79 1r8p h THR 13 N -1.06 0.93 -0.03 -3.57 2.02 -1.78 -0.32 112.91 109.09 1r8p h THR 13 Ca -0.08 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1r8p h THR 13 Cb 0.60 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1r8p h THR 13 CO 0.13 0.04 -0.40 -0.07 0.37 0.00 0.00 175.52 175.59 1r8p h LEU 14 N 0.21 0.06 -0.47 2.58 3.38 -1.39 -2.78 115.31 116.89 1r8p h LEU 14 Ca 0.16 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1r8p h LEU 14 Cb 0.37 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1r8p h LEU 14 CO -0.03 0.46 0.30 0.11 0.09 0.00 0.00 178.44 179.37 1r8p h LYS 15 N 0.05 0.59 -0.23 1.13 1.79 -0.31 -2.47 116.57 117.12 1r8p h LYS 15 Ca 0.00 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 1r8p h LYS 15 Cb 0.73 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1r8p h LYS 15 CO 0.05 0.39 -0.45 0.00 -1.08 0.00 0.00 179.45 178.37 1r8p h LEU 17 N 0.47 -0.85 -1.20 0.00 4.07 -1.20 -1.66 115.31 114.94 1r8p h LEU 17 Ca 0.03 0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.09 1r8p h LEU 17 Cb 0.97 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1r8p h LEU 17 CO 0.09 -0.56 0.69 -0.09 -1.08 0.00 0.00 178.44 177.49 1r8p h ARG 18 N -0.90 0.00 0.00 1.13 2.43 -1.51 0.60 114.38 116.13 1r8p h ARG 18 Ca -0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1r8p h ARG 18 Cb 0.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1r8p h ARG 18 CO 0.10 0.00 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.49 1r8p h TYR 19 N 0.00 0.00 0.04 2.20 3.20 -1.38 -2.09 116.97 118.94 1r8p h TYR 19 Ca 0.09 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.73 1r8p h TYR 19 Cb 1.46 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 1r8p h TYR 19 CO 0.00 0.15 -1.07 0.00 -1.64 0.00 0.00 178.16 175.60 1r8p h ARG 20 N 0.00 0.09 0.00 1.82 3.08 0.09 -3.14 114.38 116.32 1r8p h ARG 20 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1r8p h ARG 20 Cb 0.33 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1r8p h ARG 20 CO 0.02 1.06 0.00 0.74 -1.07 0.00 0.00 179.97 180.72 1r8p h PHE 21 N 0.03 0.00 0.50 3.04 0.04 -1.43 -2.81 116.94 116.30 1r8p h PHE 21 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1r8p h PHE 21 Cb 1.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.97 1r8p h PHE 21 CO 0.02 0.00 -0.24 0.87 -0.60 0.00 0.00 178.31 178.36 1r8p h LYS 22 N 0.00 -0.65 0.00 1.51 1.79 -1.49 -2.88 116.57 114.85 1r8p h LYS 22 Ca 0.00 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1r8p h LYS 22 Cb 0.24 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1r8p h LYS 22 CO 0.00 -0.37 -0.19 0.87 -1.08 0.00 0.00 179.45 178.68 1r8p h LYS 23 N -0.85 0.00 -1.22 3.15 6.56 -1.73 -3.16 116.57 119.33 1r8p h LYS 23 Ca -0.07 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.03 1r8p h LYS 23 Cb 0.59 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.03 1r8p h LYS 23 CO 0.11 0.19 0.64 0.72 -2.06 0.00 0.00 179.45 179.06 1r8p n HIS 24 N -3.24 2.41 0.22 -1.35 8.25 -1.07 -4.58 115.22 115.87 1r8p n HIS 24 Ca 0.01 -2.39 0.17 0.00 -0.26 0.00 0.00 57.72 55.25 1r8p n HIS 24 Cb 0.50 -1.16 0.84 0.00 1.12 0.00 0.00 29.99 31.29 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 -3.79 1.09 -0.03 0.00 5.66 -1.26 -4.21 114.28 111.73 1r8p n THR 26 Ca 0.01 -0.93 -0.11 0.00 -3.05 0.00 0.00 64.05 59.97 1r8p n THR 26 Cb 0.29 0.34 -0.14 0.00 -1.55 0.00 0.00 70.33 69.27 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1r8p n LEU 27 N 1.30 1.14 -4.77 1.09 4.32 0.52 -4.95 117.00 115.65 1r8p n LEU 27 Ca 0.22 0.28 -0.25 0.00 -0.02 0.00 0.00 56.01 56.24 1r8p n LEU 27 Cb 0.63 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 42.31 1r8p n LEU 27 CO 0.17 0.51 -0.13 -0.72 -1.22 0.00 0.00 177.39 176.01 1r8p s TYR 28 N -2.57 2.40 -0.22 -1.77 1.13 -1.25 -4.81 117.35 110.26 1r8p s TYR 28 Ca -0.10 -0.65 0.07 0.00 -1.41 0.00 0.00 57.07 54.98 1r8p s TYR 28 Cb 0.07 -1.93 -0.18 0.00 -1.10 0.00 0.00 41.96 38.82 1r8p s TYR 28 CO 0.81 0.07 -0.11 2.41 -2.51 0.00 0.00 175.55 176.22 1r8p n THR 29 N -1.34 1.35 -3.64 -3.49 -1.04 -0.50 -4.97 114.28 100.65 1r8p n THR 29 Ca -0.03 -0.63 -0.02 0.00 -2.04 0.00 0.00 64.05 61.34 1r8p n THR 29 Cb 0.65 -1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.07 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 -2.47 -2.03 -0.46 2.41 0.00 -1.24 -4.99 121.76 112.97 1r8p s ALA 30 Ca -0.24 2.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.85 1r8p s ALA 30 Cb 0.07 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1r8p s ALA 30 CO 0.63 -0.79 0.80 0.54 0.00 0.00 0.00 175.76 176.94 1r8p s VAL 31 N 2.57 4.62 0.52 0.00 0.11 -1.26 -3.51 120.40 123.45 1r8p s VAL 31 Ca -0.07 0.42 -0.22 0.00 -2.93 0.00 0.00 61.98 59.18 1r8p s VAL 31 Cb -0.10 -4.35 -0.06 0.00 -1.53 0.00 0.00 36.38 30.34 1r8p s VAL 31 CO -0.19 -0.76 1.26 -0.55 -3.33 0.00 0.00 175.10 171.53 1r8p s SER 32 N 2.21 5.61 0.99 3.54 0.15 -0.97 -4.98 113.70 120.25 1r8p s SER 32 Ca 0.30 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 59.37 1r8p s SER 32 Cb -0.12 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.76 1r8p s SER 32 CO 0.22 -1.32 1.10 -0.94 1.20 0.00 0.00 173.24 173.51 1r8p s SER 33 N -1.20 2.39 -0.18 5.45 1.04 -1.26 -4.57 113.70 115.37 1r8p s SER 33 Ca 0.69 1.94 -0.29 0.00 0.48 0.00 0.00 55.95 58.77 1r8p s SER 33 Cb -0.34 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 1r8p s SER 33 CO 0.41 -3.39 1.67 0.42 0.98 0.00 0.00 173.24 173.33 1r8p s THR 34 N -2.61 3.61 0.21 2.02 -4.23 -1.26 -4.72 115.64 108.66 1r8p s THR 34 Ca 0.67 0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 61.79 1r8p s THR 34 Cb -0.23 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 1r8p s THR 34 CO 0.60 -0.22 0.32 -1.66 -0.54 0.00 0.00 174.62 173.12 1r8p s TRP 35 N 5.14 0.63 0.32 3.99 1.48 -1.02 -4.84 118.94 124.64 1r8p s TRP 35 Ca 0.74 -0.95 -0.18 0.00 -1.06 0.00 0.00 56.10 54.65 1r8p s TRP 35 Cb -0.28 -0.11 0.06 0.00 -1.16 0.00 0.00 33.47 31.99 1r8p s TRP 35 CO 0.30 -0.82 0.87 -3.38 -4.06 0.00 0.00 176.95 169.86 1r8p s HIS 36 N -4.05 0.09 -0.11 1.66 -3.43 -1.26 0.27 115.29 108.46 1r8p s HIS 36 Ca 0.27 -0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 53.55 1r8p s HIS 36 Cb 0.03 0.79 -0.01 0.00 -1.43 0.00 0.00 32.58 31.96 1r8p s HIS 36 CO 0.08 -1.36 1.02 -1.58 -2.00 0.00 0.00 174.74 170.90 1r8p s TRP 37 N -2.31 3.48 -0.08 0.38 0.52 -1.26 -5.01 118.94 114.66 1r8p s TRP 37 Ca 0.17 1.56 -0.30 0.00 0.02 0.00 0.00 56.10 57.56 1r8p s TRP 37 Cb -0.04 -3.21 0.10 0.00 -1.15 0.00 0.00 33.47 29.17 1r8p s TRP 37 CO 0.09 -0.31 0.83 -0.08 0.02 0.00 0.00 176.95 177.50 1r8p s THR 38 N 2.10 0.00 0.00 2.01 -1.32 -1.26 -4.46 115.64 112.71 1r8p s THR 38 Ca 0.49 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 1r8p s THR 38 Cb -0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 1r8p s THR 38 CO 0.17 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 1r8p n GLY 39 N 0.65 0.25 0.44 6.08 0.00 -1.26 -5.09 105.19 106.26 1r8p n GLY 39 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.12 -0.48 -2.76 1.61 -0.00 -1.26 -4.98 115.22 107.23 1r8p n HIS 40 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 1r8p n HIS 40 Cb 0.00 0.11 -0.02 0.00 -0.12 0.00 0.00 29.99 29.96 1r8p n HIS 40 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1r8p n ASN 41 N -1.72 4.15 0.00 0.26 4.05 -1.26 -5.04 115.26 115.70 1r8p n ASN 41 Ca 0.00 -3.60 0.00 0.00 0.45 0.00 0.00 54.58 51.43 1r8p n ASN 41 Cb 0.00 -0.52 0.00 0.00 1.23 0.00 0.00 39.78 40.49 1r8p n ASN 41 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1r8p n VAL 42 N -0.29 0.00 -3.61 3.44 0.24 -1.26 -5.13 118.33 111.72 1r8p n VAL 42 Ca 0.32 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.26 1r8p n VAL 42 Cb 0.54 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.84 1r8p n VAL 42 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1r8p s LYS 43 N 1.44 4.15 0.47 7.34 -2.85 -1.26 -5.05 119.74 123.99 1r8p s LYS 43 Ca 0.00 0.02 -0.23 0.00 -1.00 0.00 0.00 55.97 54.76 1r8p s LYS 43 Cb 0.00 -3.39 -0.09 0.00 -2.06 0.00 0.00 37.83 32.29 1r8p s LYS 43 CO 0.00 0.32 1.02 0.72 0.10 0.00 0.00 175.35 177.52 1r8p n HIS 44 N 3.32 1.18 -4.57 1.78 8.25 -1.26 -4.98 115.22 118.94 1r8p n HIS 44 Ca -0.14 0.51 -0.31 0.00 -0.26 0.00 0.00 57.72 57.53 1r8p n HIS 44 Cb 0.52 -2.22 -0.12 0.00 1.12 0.00 0.00 29.99 29.29 1r8p n HIS 44 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1r8p s LYS 45 N -2.23 2.18 -0.10 -0.41 2.47 -1.26 -5.06 119.74 115.33 1r8p s LYS 45 Ca 0.66 -0.93 -0.32 0.00 -1.56 0.00 0.00 55.97 53.82 1r8p s LYS 45 Cb -0.51 -2.27 -0.09 0.00 -1.46 0.00 0.00 37.83 33.50 1r8p s LYS 45 CO 0.55 0.55 2.02 0.43 0.16 0.00 0.00 175.35 179.06 1r8p n SER 46 N 1.47 3.51 -3.84 1.43 7.64 -1.26 -4.88 113.62 117.69 1r8p n SER 46 Ca -0.16 0.72 -0.35 0.00 1.01 0.00 0.00 58.87 60.10 1r8p n SER 46 Cb 0.52 -1.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r8p n ALA 47 N 8.40 -5.02 -3.60 -0.43 0.00 -1.26 -4.64 120.51 113.96 1r8p n ALA 47 Ca 0.25 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1r8p n ALA 47 Cb 0.36 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 1r8p n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r8p s ILE 48 N -1.90 -0.05 -0.26 0.00 1.01 0.76 -4.20 121.20 116.56 1r8p s ILE 48 Ca 0.40 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 1r8p s ILE 48 Cb -0.22 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1r8p s ILE 48 CO 0.77 0.07 0.01 -0.69 0.00 0.00 0.00 174.94 175.09 1r8p s VAL 49 N 0.90 3.52 0.25 2.92 1.01 -1.20 -2.44 120.40 125.36 1r8p s VAL 49 Ca -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1r8p s VAL 49 Cb -0.10 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1r8p s VAL 49 CO -0.03 0.22 0.49 -0.89 0.00 0.00 0.00 175.10 174.90 1r8p s THR 50 N 1.45 5.08 -0.03 3.92 2.01 -1.26 -3.67 115.64 123.14 1r8p s THR 50 Ca 0.03 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1r8p s THR 50 Cb -0.16 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1r8p s THR 50 CO -0.01 -0.24 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.90 1r8p s LEU 51 N -3.38 1.37 -0.12 4.42 1.02 -1.04 -2.30 118.68 118.64 1r8p s LEU 51 Ca 0.42 -0.08 -0.11 0.00 0.02 0.00 0.00 54.13 54.39 1r8p s LEU 51 Cb -0.11 -0.32 -0.05 0.00 0.02 0.00 0.00 46.19 45.74 1r8p s LEU 51 CO 0.29 -0.05 0.23 0.42 0.02 0.00 0.00 176.35 177.26 1r8p s THR 52 N 0.79 5.34 0.08 5.49 -4.23 -1.23 -2.37 115.64 119.51 1r8p s THR 52 Ca -0.09 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.90 1r8p s THR 52 Cb -0.12 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1r8p s THR 52 CO -0.01 0.51 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.21 1r8p s TYR 53 N -0.35 2.83 -1.15 3.99 1.51 -1.21 -1.41 117.35 121.57 1r8p s TYR 53 Ca 0.16 -0.10 0.28 0.00 -1.01 0.00 0.00 57.07 56.40 1r8p s TYR 53 Cb -0.13 -1.50 1.15 0.00 -0.11 0.00 0.00 41.96 41.37 1r8p s TYR 53 CO 0.05 0.43 1.84 -0.25 -1.11 0.00 0.00 175.55 176.51 1r8p n ASP 54 N 0.85 0.16 -3.63 2.29 8.00 -1.26 -3.89 116.55 119.07 1r8p n ASP 54 Ca -0.13 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 1r8p n ASP 54 Cb 0.52 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1r8p s SER 55 N -2.86 -0.70 0.30 -2.24 0.15 -1.26 -5.00 113.70 102.08 1r8p s SER 55 Ca 0.18 1.30 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1r8p s SER 55 Cb 0.19 1.32 0.58 0.00 -1.71 0.00 0.00 66.02 66.40 1r8p s SER 55 CO 0.54 -0.22 1.86 -0.33 1.20 0.00 0.00 173.24 176.29 1r8p h GLU 56 N 5.12 0.94 -0.17 5.44 4.39 -1.98 -2.03 114.58 126.28 1r8p h GLU 56 Ca -0.29 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.40 1r8p h GLU 56 Cb 1.17 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1r8p h GLU 56 CO 0.08 0.62 -0.17 2.35 -1.16 0.00 0.00 179.01 180.73 1r8p h TRP 57 N 0.97 -0.44 -0.92 4.33 2.91 -2.00 -1.87 115.95 118.93 1r8p h TRP 57 Ca 0.46 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.58 1r8p h TRP 57 Cb 0.45 0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.25 1r8p h TRP 57 CO -0.00 -0.24 0.58 0.37 -1.03 0.00 0.00 178.44 178.11 1r8p h GLN 58 N -0.19 1.02 -0.66 2.65 4.15 -1.76 -1.37 115.11 118.94 1r8p h GLN 58 Ca 0.11 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1r8p h GLN 58 Cb 0.36 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1r8p h GLN 58 CO -0.29 0.67 0.44 -0.09 -1.93 0.00 0.00 178.83 177.64 1r8p h ARG 59 N 1.05 0.78 -0.46 1.69 2.43 -1.11 -2.39 114.38 116.37 1r8p h ARG 59 Ca 0.40 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1r8p h ARG 59 Cb 0.18 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1r8p h ARG 59 CO -0.18 0.52 0.25 0.22 -1.51 0.00 0.00 179.97 179.27 1r8p h ASP 60 N 0.81 0.57 -0.53 -3.80 3.58 -0.79 -2.83 116.42 113.43 1r8p h ASP 60 Ca 0.26 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1r8p h ASP 60 Cb 0.04 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1r8p h ASP 60 CO -0.07 0.50 0.03 1.56 -2.88 0.00 0.00 179.24 178.38 1r8p h GLN 61 N 0.60 0.96 -0.39 0.28 4.20 -1.34 -3.01 115.11 116.40 1r8p h GLN 61 Ca 0.16 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.67 1r8p h GLN 61 Cb 0.06 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 1r8p h GLN 61 CO -0.03 0.92 0.06 0.35 -0.67 0.00 0.00 178.83 179.47 1r8p h PHE 62 N 0.89 0.10 -0.02 2.96 3.04 -1.23 0.64 116.94 123.33 1r8p h PHE 62 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 1r8p h PHE 62 Cb 0.47 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1r8p h PHE 62 CO 0.03 -0.00 0.02 -0.07 -2.02 0.00 0.00 178.31 176.27 1r8p h LEU 63 N 0.19 0.00 0.00 0.59 3.38 -1.39 -0.09 115.31 117.99 1r8p h LEU 63 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1r8p h LEU 63 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r8p h LEU 63 CO -0.26 0.00 -0.16 -1.28 0.09 0.00 0.00 178.44 176.82 1r8p h SER 64 N 0.00 0.00 0.35 -0.43 0.87 -0.84 -3.27 113.55 110.22 1r8p h SER 64 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1r8p h SER 64 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1r8p h SER 64 CO -0.00 0.04 -1.58 0.00 -0.53 0.00 0.00 176.83 174.76 1r8p n GLN 65 N -3.06 0.60 -3.70 2.24 1.13 -0.17 -4.83 117.38 109.58 1r8p n GLN 65 Ca 0.03 -0.08 -0.37 0.00 -1.94 0.00 0.00 57.00 54.64 1r8p n GLN 65 Cb 0.55 -1.62 -0.12 0.00 0.11 0.00 0.00 30.24 29.16 1r8p n GLN 65 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r8p s VAL 66 N -3.43 4.51 -0.34 5.09 -7.23 -0.46 -5.05 120.40 113.49 1r8p s VAL 66 Ca -0.04 -0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 1r8p s VAL 66 Cb 0.13 -3.19 0.01 0.00 0.56 0.00 0.00 36.38 33.89 1r8p s VAL 66 CO 0.86 0.23 1.20 -0.75 -0.31 0.00 0.00 175.10 176.33 1r8p s LYS 67 N 1.63 3.92 0.04 4.82 2.20 -1.26 -4.83 119.74 126.26 1r8p s LYS 67 Ca 0.06 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.53 1r8p s LYS 67 Cb -0.16 -3.84 -0.06 0.00 -1.51 0.00 0.00 37.83 32.26 1r8p s LYS 67 CO 0.05 -1.10 0.60 -1.50 -0.36 0.00 0.00 175.35 173.03 1r8p s ILE 68 N 4.18 4.81 0.27 5.43 1.10 -1.26 -5.07 121.20 130.66 1r8p s ILE 68 Ca 0.51 1.26 0.04 0.00 -0.51 0.00 0.00 60.65 61.95 1r8p s ILE 68 Cb -0.13 -3.93 -0.03 0.00 0.15 0.00 0.00 42.46 38.52 1r8p s ILE 68 CO 0.22 0.48 0.42 -2.16 -2.11 0.00 0.00 174.94 171.79 1r8p s PRO 69 N -0.61 3.44 0.20 3.50 0.04 -1.26 -4.96 135.00 135.35 1r8p s PRO 69 Ca 0.30 -0.65 0.13 0.00 0.04 0.00 0.00 61.00 60.82 1r8p s PRO 69 Cb -0.19 -2.82 0.72 0.00 0.04 0.00 0.00 34.50 32.25 1r8p s PRO 69 CO 0.18 0.33 1.41 1.63 0.04 0.00 0.00 177.00 180.60 1r8p n LYS 70 N -1.53 0.09 0.08 4.56 4.01 -1.26 -1.52 118.16 122.58 1r8p n LYS 70 Ca -0.07 0.59 -0.21 0.00 -0.51 0.00 0.00 58.31 58.10 1r8p n LYS 70 Cb 0.57 -1.78 -0.15 0.00 -0.51 0.00 0.00 35.03 33.16 1r8p n LYS 70 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1r8p h THR 71 N 0.00 1.05 -3.26 -0.18 2.02 -1.97 -3.46 112.91 107.12 1r8p h THR 71 Ca 0.00 -2.64 -0.57 0.00 0.77 0.00 0.00 66.41 63.97 1r8p h THR 71 Cb 0.00 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1r8p h THR 71 CO 0.00 0.84 -0.24 -0.63 0.37 0.00 0.00 175.52 175.86 1r8p s ILE 72 N -2.60 5.08 0.03 3.11 1.01 -0.58 -4.66 121.20 122.60 1r8p s ILE 72 Ca -0.12 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 1r8p s ILE 72 Cb 0.06 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 1r8p s ILE 72 CO 0.86 0.01 0.14 -0.89 0.00 0.00 0.00 174.94 175.06 1r8p s THR 73 N -1.70 0.12 0.08 2.92 2.01 -1.18 -4.47 115.64 113.41 1r8p s THR 73 Ca 0.43 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 1r8p s THR 73 Cb -0.12 -0.81 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 1r8p s THR 73 CO 0.23 -0.52 0.17 0.54 -0.69 0.00 0.00 174.62 174.35 1r8p s VAL 74 N -2.36 0.15 0.33 3.82 0.11 -1.26 -2.10 120.40 119.09 1r8p s VAL 74 Ca -0.07 -1.21 0.08 0.00 -2.93 0.00 0.00 61.98 57.85 1r8p s VAL 74 Cb -0.02 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1r8p s VAL 74 CO -0.03 -0.67 0.27 -0.24 -3.33 0.00 0.00 175.10 171.10 1r8p n SER 75 N 0.00 -0.65 -4.87 3.54 2.88 -1.09 -4.98 113.62 108.45 1r8p n SER 75 Ca -0.15 -3.15 -0.22 0.00 -1.33 0.00 0.00 58.87 54.02 1r8p n SER 75 Cb 0.62 1.63 -0.03 0.00 -0.75 0.00 0.00 64.21 65.68 1r8p n SER 75 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1r8p s THR 76 N -3.32 2.52 0.14 2.46 2.01 -1.26 -3.47 115.64 114.72 1r8p s THR 76 Ca 0.39 -1.39 -0.20 0.00 0.31 0.00 0.00 61.69 60.80 1r8p s THR 76 Cb 0.02 -2.91 0.07 0.00 0.01 0.00 0.00 72.50 69.69 1r8p s THR 76 CO 0.27 0.00 0.96 0.61 -0.69 0.00 0.00 174.62 175.77 1r8p n GLY 77 N -1.55 0.62 3.16 4.40 0.00 -1.22 -4.92 105.19 105.68 1r8p n GLY 77 Ca 0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1r8p n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r8p s PHE 78 N -2.44 -0.32 0.40 1.61 5.36 -1.26 -3.77 117.98 117.55 1r8p s PHE 78 Ca 0.21 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 57.03 1r8p s PHE 78 Cb -0.02 0.10 -0.07 0.00 -0.34 0.00 0.00 43.02 42.69 1r8p s PHE 78 CO 0.04 -0.17 0.02 -1.64 -1.46 0.00 0.00 175.22 172.01 1r8p s MET 79 N 0.36 1.92 -0.25 10.12 -1.94 -1.03 -4.98 119.30 123.50 1r8p s MET 79 Ca -0.02 -2.09 -0.03 0.00 -1.71 0.00 0.00 55.69 51.84 1r8p s MET 79 Cb -0.03 -1.50 0.08 0.00 2.01 0.00 0.00 34.83 35.39 1r8p s MET 79 CO -0.01 -0.09 0.10 -1.54 -0.01 0.00 0.00 175.02 173.46 1r8p s SER 80 N -3.68 3.22 0.00 3.03 1.04 -1.26 -3.32 113.70 112.73 1r8p s SER 80 Ca 0.34 -1.10 0.28 0.00 0.48 0.00 0.00 55.95 55.95 1r8p s SER 80 Cb 0.09 -0.46 1.14 0.00 0.10 0.00 0.00 66.02 66.90 1r8p s SER 80 CO 0.17 -0.39 1.79 0.00 0.98 0.00 0.00 173.24 175.79