#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 5.30 0.69 2.03 -4.23 -1.25 -4.69 115.64 113.49 1r8p s THR 2 Ca 0.00 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1r8p s THR 2 Cb 0.00 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.28 1r8p s THR 2 CO 0.00 0.27 1.08 -2.16 -0.54 0.00 0.00 174.62 173.27 1r8p s PRO 3 N 1.51 2.94 -0.07 3.99 0.04 -1.25 -2.15 135.00 140.01 1r8p s PRO 3 Ca 0.10 0.46 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 1r8p s PRO 3 Cb -0.15 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1r8p s PRO 3 CO 0.08 -0.96 0.15 0.96 0.04 0.00 0.00 177.00 177.27 1r8p s ILE 4 N -3.32 -0.17 -0.21 0.56 -4.36 -1.25 -2.85 121.20 109.60 1r8p s ILE 4 Ca 0.58 0.29 -0.15 0.00 -0.26 0.00 0.00 60.65 61.10 1r8p s ILE 4 Cb -0.11 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.30 1r8p s ILE 4 CO 0.52 0.12 0.37 0.54 0.24 0.00 0.00 174.94 176.72 1r8p s VAL 5 N 1.84 5.21 -0.18 8.37 0.11 -1.18 -3.79 120.40 130.78 1r8p s VAL 5 Ca -0.02 0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 59.61 1r8p s VAL 5 Cb -0.12 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 1r8p s VAL 5 CO -0.06 0.25 0.01 -2.28 -3.33 0.00 0.00 175.10 169.69 1r8p s HIS 6 N 1.36 3.09 0.11 1.54 2.46 -1.24 -3.36 115.29 119.25 1r8p s HIS 6 Ca 0.17 -0.25 0.06 0.00 0.47 0.00 0.00 55.06 55.51 1r8p s HIS 6 Cb -0.15 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.22 1r8p s HIS 6 CO 0.08 -0.07 -0.15 -0.48 -2.47 0.00 0.00 174.74 171.65 1r8p s LEU 7 N 0.65 2.38 0.20 8.88 2.34 -1.24 -1.84 118.68 130.06 1r8p s LEU 7 Ca 0.00 -0.77 -0.03 0.00 0.06 0.00 0.00 54.13 53.39 1r8p s LEU 7 Cb -0.14 -0.57 -0.03 0.00 -0.56 0.00 0.00 46.19 44.89 1r8p s LEU 7 CO 0.02 -0.12 0.18 -0.75 -1.06 0.00 0.00 176.35 174.62 1r8p s LYS 8 N -2.47 1.24 0.00 1.48 2.20 -1.24 -3.67 119.74 117.28 1r8p s LYS 8 Ca 0.07 -1.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.12 1r8p s LYS 8 Cb -0.06 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1r8p s LYS 8 CO 0.03 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1r8p n GLY 9 N -0.28 -1.14 3.76 5.54 0.00 -1.26 -3.62 105.19 108.19 1r8p n GLY 9 Ca 0.01 -1.50 -0.38 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 -1.82 5.69 0.20 1.61 1.11 -1.26 -4.58 116.67 117.62 1r8p s ASP 10 Ca 0.00 2.54 -0.13 0.00 0.18 0.00 0.00 52.55 55.14 1r8p s ASP 10 Cb 0.00 -2.62 0.23 0.00 1.07 0.00 0.00 42.92 41.60 1r8p s ASP 10 CO 0.00 -1.26 1.67 0.00 1.18 0.00 0.00 175.17 176.75 1r8p h ALA 11 N 1.72 0.51 -0.38 5.23 0.00 -1.90 -1.46 119.26 122.97 1r8p h ALA 11 Ca -0.50 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1r8p h ALA 11 Cb 1.28 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1r8p h ALA 11 CO 0.59 -0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.53 1r8p h ASN 12 N 0.10 -0.15 -0.01 0.00 4.21 -2.02 0.57 115.58 118.28 1r8p h ASN 12 Ca 0.28 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.88 1r8p h ASN 12 Cb 0.44 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1r8p h ASN 12 CO -0.48 -0.04 0.09 0.74 -1.29 0.00 0.00 177.43 176.45 1r8p h THR 13 N 0.11 0.06 -0.02 2.81 2.02 -1.63 -1.84 112.91 114.41 1r8p h THR 13 Ca 0.19 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.11 1r8p h THR 13 Cb 0.26 0.91 0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1r8p h THR 13 CO -0.31 0.00 -1.00 -0.07 0.37 0.00 0.00 175.52 174.51 1r8p h LEU 14 N 0.00 0.87 -2.33 2.58 3.38 -0.57 -3.15 115.31 116.09 1r8p h LEU 14 Ca 0.01 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 1r8p h LEU 14 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1r8p h LEU 14 CO -0.00 1.48 -0.01 0.50 0.09 0.00 0.00 178.44 180.50 1r8p h LYS 15 N 0.39 0.00 0.21 1.13 3.64 -1.23 -2.67 116.57 118.04 1r8p h LYS 15 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1r8p h LYS 15 Cb 1.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1r8p h LYS 15 CO 0.20 0.01 -0.10 0.00 -2.27 0.00 0.00 179.45 177.29 1r8p h LEU 17 N -0.77 -0.41 -1.56 0.00 3.38 -1.57 -2.07 115.31 112.30 1r8p h LEU 17 Ca -0.03 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.18 1r8p h LEU 17 Cb 0.51 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1r8p h LEU 17 CO 0.05 -0.27 0.83 -0.09 0.09 0.00 0.00 178.44 179.05 1r8p h ARG 18 N -0.42 0.00 -0.70 1.13 2.43 -1.58 0.19 114.38 115.43 1r8p h ARG 18 Ca -0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1r8p h ARG 18 Cb 0.35 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1r8p h ARG 18 CO 0.03 0.00 0.14 -0.92 -1.51 0.00 0.00 179.97 177.71 1r8p h TYR 19 N 0.00 1.20 0.00 2.20 3.20 -1.34 -2.57 116.97 119.66 1r8p h TYR 19 Ca 0.36 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1r8p h TYR 19 Cb 2.02 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.95 1r8p h TYR 19 CO 0.00 0.98 -0.25 0.00 -1.64 0.00 0.00 178.16 177.25 1r8p h ARG 20 N 1.07 0.00 0.00 1.82 3.08 -0.72 -3.01 114.38 116.62 1r8p h ARG 20 Ca 0.22 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1r8p h ARG 20 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1r8p h ARG 20 CO 0.01 0.25 -0.25 0.74 -1.07 0.00 0.00 179.97 179.64 1r8p h PHE 21 N 0.00 0.00 -0.59 3.04 0.04 -1.38 -2.27 116.94 115.77 1r8p h PHE 21 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1r8p h PHE 21 Cb 0.85 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1r8p h PHE 21 CO 0.00 0.25 0.21 0.87 -0.60 0.00 0.00 178.31 179.05 1r8p h LYS 22 N 0.00 0.90 -0.05 1.51 1.79 -1.51 -1.87 116.57 117.33 1r8p h LYS 22 Ca -0.00 -0.18 -0.25 0.00 -2.18 0.00 0.00 60.65 58.05 1r8p h LYS 22 Cb 0.52 -0.14 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1r8p h LYS 22 CO 0.03 0.78 -0.93 0.87 -1.08 0.00 0.00 179.45 179.13 1r8p h LYS 23 N 0.82 0.71 -1.24 3.15 1.79 -1.65 -3.24 116.57 116.91 1r8p h LYS 23 Ca 0.19 -0.70 -0.50 0.00 -2.18 0.00 0.00 60.65 57.46 1r8p h LYS 23 Cb 0.24 0.18 -0.22 0.00 -1.58 0.00 0.00 32.23 30.86 1r8p h LYS 23 CO -0.01 1.29 0.65 0.72 -1.08 0.00 0.00 179.45 181.02 1r8p n HIS 24 N -3.91 2.41 0.16 -1.35 8.25 -0.88 -4.59 115.22 115.32 1r8p n HIS 24 Ca -0.10 -2.48 0.09 0.00 -0.26 0.00 0.00 57.72 54.97 1r8p n HIS 24 Cb 0.82 -1.20 0.50 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.17 0.33 0.05 0.00 -2.24 -1.26 -4.10 114.28 104.88 1r8p n THR 26 Ca -0.01 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.24 1r8p n THR 26 Cb 0.12 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.12 0.67 0.00 3.22 4.32 0.93 -4.97 117.00 122.29 1r8p n LEU 27 Ca 0.18 0.28 -0.19 0.00 -0.02 0.00 0.00 56.01 56.25 1r8p n LEU 27 Cb 0.52 0.04 -0.05 0.00 -1.62 0.00 0.00 43.42 42.31 1r8p n LEU 27 CO 0.15 0.01 -0.12 0.00 -1.22 0.00 0.00 177.39 176.21 1r8p n TYR 28 N -2.70 0.14 -0.05 -1.77 0.18 -1.25 -4.78 117.16 106.93 1r8p n TYR 28 Ca -0.06 -1.95 -0.04 0.00 1.88 0.00 0.00 57.90 57.72 1r8p n TYR 28 Cb 0.70 -0.02 -0.01 0.00 -0.38 0.00 0.00 39.34 39.63 1r8p n TYR 28 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1r8p n THR 29 N -0.70 0.84 -3.61 -3.48 -1.04 -0.90 -4.98 114.28 100.41 1r8p n THR 29 Ca -0.05 0.31 -0.15 0.00 -2.04 0.00 0.00 64.05 62.12 1r8p n THR 29 Cb 0.46 -2.00 -0.07 0.00 -1.82 0.00 0.00 70.33 66.90 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 -2.90 -1.55 -0.57 2.41 0.00 -1.26 -5.04 121.76 112.85 1r8p s ALA 30 Ca -0.13 1.40 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 1r8p s ALA 30 Cb 0.02 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.76 1r8p s ALA 30 CO 0.19 -0.32 0.78 0.54 0.00 0.00 0.00 175.76 176.95 1r8p s VAL 31 N -0.52 4.66 0.75 0.00 0.11 -1.26 -3.87 120.40 120.27 1r8p s VAL 31 Ca -0.06 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 1r8p s VAL 31 Cb -0.03 -4.48 -0.02 0.00 -1.53 0.00 0.00 36.38 30.32 1r8p s VAL 31 CO 0.05 -1.10 0.60 -1.54 -3.33 0.00 0.00 175.10 169.77 1r8p n SER 32 N 6.77 -1.01 -4.68 3.54 3.41 -1.12 -4.89 113.62 115.64 1r8p n SER 32 Ca -0.06 0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 58.80 1r8p n SER 32 Cb 0.45 -1.25 0.15 0.00 -0.26 0.00 0.00 64.21 63.30 1r8p n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1r8p s SER 33 N -1.59 3.14 0.06 4.04 1.04 -1.26 -4.57 113.70 114.56 1r8p s SER 33 Ca 0.66 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 59.02 1r8p s SER 33 Cb -0.33 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.14 1r8p s SER 33 CO 0.58 -2.96 1.51 -0.89 0.98 0.00 0.00 173.24 172.46 1r8p s THR 34 N -2.50 3.29 0.27 2.02 2.01 -1.26 -4.77 115.64 114.69 1r8p s THR 34 Ca 0.69 0.77 -0.05 0.00 0.31 0.00 0.00 61.69 63.41 1r8p s THR 34 Cb -0.24 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1r8p s THR 34 CO 0.56 0.01 0.36 -1.66 -0.69 0.00 0.00 174.62 173.20 1r8p s TRP 35 N 2.20 0.92 0.27 4.92 1.48 -0.52 -4.91 118.94 123.29 1r8p s TRP 35 Ca 0.68 -1.16 -0.14 0.00 -1.06 0.00 0.00 56.10 54.42 1r8p s TRP 35 Cb -0.37 -0.19 0.05 0.00 -1.16 0.00 0.00 33.47 31.81 1r8p s TRP 35 CO 0.30 -0.92 0.73 1.58 -4.06 0.00 0.00 176.95 174.57 1r8p n HIS 36 N -0.42 -1.86 -2.53 1.66 -0.00 -1.26 -0.65 115.22 110.16 1r8p n HIS 36 Ca 0.01 -1.40 -0.40 0.00 0.46 0.00 0.00 57.72 56.39 1r8p n HIS 36 Cb 0.63 0.69 -0.03 0.00 -0.12 0.00 0.00 29.99 31.16 1r8p n HIS 36 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1r8p s TRP 37 N -3.12 2.43 0.00 1.57 0.23 -1.26 -4.89 118.94 113.90 1r8p s TRP 37 Ca 0.15 -0.57 0.00 0.00 -2.03 0.00 0.00 56.10 53.65 1r8p s TRP 37 Cb -0.04 -4.64 0.00 0.00 0.03 0.00 0.00 33.47 28.82 1r8p s TRP 37 CO 0.08 -1.97 0.00 0.25 0.96 0.00 0.00 176.95 176.27 1r8p n THR 38 N 6.83 0.00 0.04 2.01 -2.24 -1.26 -5.08 114.28 114.57 1r8p n THR 38 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1r8p n THR 38 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r8p n GLY 39 N 3.11 -0.76 2.20 3.38 0.00 -1.26 -5.07 105.19 106.79 1r8p n GLY 39 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.55 -4.37 -2.50 1.61 -0.00 -1.26 -5.07 115.22 101.08 1r8p n HIS 40 Ca 0.00 1.36 -0.43 0.00 0.46 0.00 0.00 57.72 59.11 1r8p n HIS 40 Cb 0.00 3.46 -0.02 0.00 -0.12 0.00 0.00 29.99 33.30 1r8p n HIS 40 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1r8p s ASN 41 N -1.85 6.46 -0.03 0.26 -0.87 -1.26 -4.99 114.94 112.66 1r8p s ASN 41 Ca 0.00 0.48 0.03 0.00 -1.57 0.00 0.00 52.86 51.80 1r8p s ASN 41 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1r8p s ASN 41 CO 0.00 -1.40 -0.10 0.68 -2.57 0.00 0.00 177.10 173.71 1r8p s VAL 42 N 5.00 0.86 0.00 1.60 -7.23 -1.26 -4.99 120.40 114.38 1r8p s VAL 42 Ca 0.51 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1r8p s VAL 42 Cb -0.09 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1r8p s VAL 42 CO 0.30 0.27 0.00 1.17 -0.31 0.00 0.00 175.10 176.53 1r8p n LYS 43 N 3.30 0.00 -3.38 4.82 4.81 -1.26 -5.06 118.16 121.39 1r8p n LYS 43 Ca -0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.08 1r8p n LYS 43 Cb 0.54 -0.24 -0.09 0.00 0.02 0.00 0.00 35.03 35.27 1r8p n LYS 43 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1r8p s HIS 44 N -1.00 -0.35 0.33 5.64 -3.43 -1.26 -5.14 115.29 110.07 1r8p s HIS 44 Ca 0.00 -0.54 0.06 0.00 -0.80 0.00 0.00 55.06 53.78 1r8p s HIS 44 Cb 0.00 -0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 30.68 1r8p s HIS 44 CO 0.00 -0.94 0.23 0.21 -2.00 0.00 0.00 174.74 172.24 1r8p s LYS 45 N 1.86 1.71 -1.35 -0.38 2.47 -1.26 -5.05 119.74 117.73 1r8p s LYS 45 Ca 0.13 -1.99 -0.14 0.00 -1.56 0.00 0.00 55.97 52.41 1r8p s LYS 45 Cb -0.15 0.15 0.09 0.00 -1.46 0.00 0.00 37.83 36.46 1r8p s LYS 45 CO -0.17 -0.58 1.94 0.45 0.16 0.00 0.00 175.35 177.15 1r8p n SER 46 N -1.33 4.56 -4.30 1.43 2.88 -1.26 -4.89 113.62 110.72 1r8p n SER 46 Ca 0.04 -2.94 -0.37 0.00 -1.33 0.00 0.00 58.87 54.28 1r8p n SER 46 Cb 0.63 -1.63 0.05 0.00 -0.75 0.00 0.00 64.21 62.51 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r8p n ALA 47 N 6.06 -2.94 -3.12 -1.46 0.00 -1.26 -4.81 120.51 112.98 1r8p n ALA 47 Ca 0.47 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1r8p n ALA 47 Cb 0.40 -1.57 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.99 0.08 0.39 0.00 1.01 0.17 -4.33 121.20 116.53 1r8p s ILE 48 Ca 0.57 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1r8p s ILE 48 Cb -0.34 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 1r8p s ILE 48 CO 0.67 -0.36 0.03 -0.69 0.00 0.00 0.00 174.94 174.58 1r8p s VAL 49 N -1.46 1.70 0.05 2.92 1.01 -1.24 -1.44 120.40 121.93 1r8p s VAL 49 Ca -0.14 -2.00 -0.08 0.00 0.00 0.00 0.00 61.98 59.76 1r8p s VAL 49 Cb -0.07 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1r8p s VAL 49 CO 0.02 0.00 0.16 -0.89 0.00 0.00 0.00 175.10 174.39 1r8p s THR 50 N -2.91 0.13 -0.03 3.92 2.01 -1.26 -3.59 115.64 113.91 1r8p s THR 50 Ca 0.34 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1r8p s THR 50 Cb 0.09 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1r8p s THR 50 CO 0.17 -0.59 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.72 1r8p s LEU 51 N -2.36 1.49 -0.16 4.42 1.02 -1.21 -2.80 118.68 119.08 1r8p s LEU 51 Ca -0.02 -0.08 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 1r8p s LEU 51 Cb 0.01 -0.30 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 1r8p s LEU 51 CO -0.06 -0.03 0.27 -0.89 0.02 0.00 0.00 176.35 175.65 1r8p s THR 52 N 0.61 5.32 0.06 5.49 2.01 -1.25 -3.08 115.64 124.80 1r8p s THR 52 Ca -0.07 0.49 0.05 0.00 0.31 0.00 0.00 61.69 62.47 1r8p s THR 52 Cb -0.10 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1r8p s THR 52 CO -0.01 0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.98 1r8p s TYR 53 N 0.38 2.90 -1.66 4.92 1.51 -1.13 -2.13 117.35 122.14 1r8p s TYR 53 Ca 0.15 -0.06 0.29 0.00 -1.01 0.00 0.00 57.07 56.45 1r8p s TYR 53 Cb -0.13 -1.54 1.59 0.00 -0.11 0.00 0.00 41.96 41.77 1r8p s TYR 53 CO 0.03 0.43 2.05 -0.25 -1.11 0.00 0.00 175.55 176.70 1r8p n ASP 54 N 0.94 0.00 -3.64 2.29 8.00 -1.26 -3.75 116.55 119.12 1r8p n ASP 54 Ca -0.13 -0.45 -0.07 0.00 0.71 0.00 0.00 54.79 54.84 1r8p n ASP 54 Cb 0.52 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.34 -0.36 0.48 -2.24 0.15 -1.26 -4.91 113.70 103.22 1r8p s SER 55 Ca 0.34 0.69 0.17 0.00 0.70 0.00 0.00 55.95 57.86 1r8p s SER 55 Cb 0.20 0.72 1.18 0.00 -1.71 0.00 0.00 66.02 66.40 1r8p s SER 55 CO 0.40 -0.12 2.02 -0.33 1.20 0.00 0.00 173.24 176.41 1r8p h GLU 56 N 4.02 0.21 0.50 5.44 5.08 -1.87 -2.64 114.58 125.32 1r8p h GLU 56 Ca -0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1r8p h GLU 56 Cb 1.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1r8p h GLU 56 CO 0.13 0.14 -0.50 2.35 -1.00 0.00 0.00 179.01 180.12 1r8p h TRP 57 N 0.22 -1.39 -0.77 4.33 -0.00 -2.00 -2.41 115.95 113.93 1r8p h TRP 57 Ca 0.22 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.19 1r8p h TRP 57 Cb 0.57 0.54 -0.05 0.00 -0.00 0.00 0.00 29.16 30.22 1r8p h TRP 57 CO -0.00 -0.67 0.50 0.37 -0.00 0.00 0.00 178.44 178.64 1r8p h GLN 58 N -1.00 0.78 -0.91 2.65 4.15 -1.86 -1.93 115.11 116.98 1r8p h GLN 58 Ca -0.06 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.34 1r8p h GLN 58 Cb 0.87 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 1r8p h GLN 58 CO -0.06 0.52 0.60 -0.09 -1.93 0.00 0.00 178.83 177.86 1r8p h ARG 59 N 0.80 1.16 -0.83 1.69 2.43 -1.28 -2.30 114.38 116.04 1r8p h ARG 59 Ca 0.34 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1r8p h ARG 59 Cb 0.28 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1r8p h ARG 59 CO -0.12 0.76 0.46 0.22 -1.51 0.00 0.00 179.97 179.79 1r8p h ASP 60 N 1.19 1.03 -0.63 -3.80 3.58 -0.88 -2.72 116.42 114.20 1r8p h ASP 60 Ca 0.35 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 1r8p h ASP 60 Cb -0.06 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 1r8p h ASP 60 CO -0.10 0.83 0.06 1.56 -2.88 0.00 0.00 179.24 178.71 1r8p h GLN 61 N 1.15 1.07 -0.58 0.28 4.20 -1.34 -2.93 115.11 116.96 1r8p h GLN 61 Ca 0.29 -0.31 0.07 0.00 0.06 0.00 0.00 58.65 58.76 1r8p h GLN 61 Cb 0.03 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 1r8p h GLN 61 CO -0.05 1.01 0.26 0.35 -0.67 0.00 0.00 178.83 179.73 1r8p h PHE 62 N 0.98 0.46 0.00 2.96 3.04 -1.13 0.24 116.94 123.49 1r8p h PHE 62 Ca 0.19 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1r8p h PHE 62 Cb 0.49 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1r8p h PHE 62 CO 0.04 0.18 0.02 -0.07 -2.02 0.00 0.00 178.31 176.45 1r8p h LEU 63 N 0.48 0.00 0.00 0.59 3.38 -1.34 0.84 115.31 119.26 1r8p h LEU 63 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1r8p h LEU 63 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1r8p h LEU 63 CO -0.24 0.00 -1.43 -1.54 0.09 0.00 0.00 178.44 175.32 1r8p n SER 64 N -2.52 0.63 -0.03 -0.43 3.41 0.81 -4.20 113.62 111.29 1r8p n SER 64 Ca -0.02 0.26 -0.02 0.00 -0.26 0.00 0.00 58.87 58.83 1r8p n SER 64 Cb 0.06 0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.68 0.65 -3.35 4.33 6.02 -0.15 -4.56 117.38 117.64 1r8p n GLN 65 Ca -0.06 0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1r8p n GLN 65 Cb 0.70 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1r8p n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1r8p n VAL 66 N -2.73 3.92 -1.66 5.09 0.31 0.11 -5.01 118.33 118.35 1r8p n VAL 66 Ca -0.17 -5.45 -0.40 0.00 -0.01 0.00 0.00 64.34 58.31 1r8p n VAL 66 Cb 0.92 -2.27 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1r8p n VAL 66 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1r8p s LYS 67 N -2.03 2.64 -0.00 5.55 -2.85 -1.26 -4.82 119.74 116.97 1r8p s LYS 67 Ca 0.31 1.57 -0.21 0.00 -1.00 0.00 0.00 55.97 56.64 1r8p s LYS 67 Cb 0.00 -4.45 -0.05 0.00 -2.06 0.00 0.00 37.83 31.27 1r8p s LYS 67 CO -0.02 -2.67 0.61 0.42 0.10 0.00 0.00 175.35 173.79 1r8p s ILE 68 N 9.99 4.89 0.00 3.79 1.09 -1.26 -5.06 121.20 134.65 1r8p s ILE 68 Ca 0.94 1.28 0.00 0.00 -1.10 0.00 0.00 60.65 61.77 1r8p s ILE 68 Cb -0.23 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 1r8p s ILE 68 CO 0.30 0.41 0.00 -0.81 -0.10 0.00 0.00 174.94 174.74 1r8p n PRO 69 N 2.73 1.50 -0.09 2.79 -0.04 -1.26 -4.86 135.00 135.78 1r8p n PRO 69 Ca -0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1r8p n PRO 69 Cb 0.51 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.25 1r8p n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r8p n LYS 70 N -0.02 2.12 0.04 0.54 4.81 -1.26 -4.15 118.16 120.25 1r8p n LYS 70 Ca 0.00 -1.67 -0.05 0.00 -0.87 0.00 0.00 58.31 55.72 1r8p n LYS 70 Cb 0.00 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 33.49 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1r8p h THR 71 N 3.57 1.09 -3.50 3.15 1.35 -1.94 -3.44 112.91 113.18 1r8p h THR 71 Ca 0.00 -2.77 -0.60 0.00 -0.55 0.00 0.00 66.41 62.49 1r8p h THR 71 Cb 0.77 2.50 -0.12 0.00 -1.73 0.00 0.00 68.15 69.58 1r8p h THR 71 CO 0.00 0.62 -0.19 -0.63 -0.25 0.00 0.00 175.52 175.08 1r8p s ILE 72 N -2.74 5.19 -0.07 6.82 -1.09 -1.26 -4.50 121.20 123.54 1r8p s ILE 72 Ca -0.01 0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 59.01 1r8p s ILE 72 Cb 0.09 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1r8p s ILE 72 CO 0.81 0.23 0.29 0.28 -1.23 0.00 0.00 174.94 175.32 1r8p s THR 73 N 1.43 5.26 0.54 2.92 -1.32 -1.24 -4.89 115.64 118.34 1r8p s THR 73 Ca 0.19 0.55 -0.02 0.00 -1.21 0.00 0.00 61.69 61.20 1r8p s THR 73 Cb -0.15 -3.58 0.01 0.00 -1.51 0.00 0.00 72.50 67.27 1r8p s THR 73 CO 0.08 0.56 0.80 -0.69 -2.21 0.00 0.00 174.62 173.16 1r8p s VAL 74 N -0.80 3.54 0.04 5.08 1.01 -1.26 -3.65 120.40 124.37 1r8p s VAL 74 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1r8p s VAL 74 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1r8p s VAL 74 CO 0.08 -0.31 0.04 -0.44 0.00 0.00 0.00 175.10 174.48 1r8p s SER 75 N -4.30 0.27 -0.03 3.32 0.01 -0.77 -4.85 113.70 107.34 1r8p s SER 75 Ca 0.53 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1r8p s SER 75 Cb -0.10 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1r8p s SER 75 CO 0.41 -0.50 -0.07 0.42 0.41 0.00 0.00 173.24 173.91 1r8p s THR 76 N -2.77 0.63 0.00 1.44 -4.23 -1.26 -3.72 115.64 105.73 1r8p s THR 76 Ca -0.04 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1r8p s THR 76 Cb -0.00 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.25 1r8p s THR 76 CO -0.06 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1r8p n GLY 77 N 3.52 1.85 3.20 3.99 0.00 -1.25 -5.03 105.19 111.47 1r8p n GLY 77 Ca -0.20 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -7.80 -0.09 0.23 1.61 5.36 -1.26 -3.82 117.98 112.20 1r8p s PHE 78 Ca 0.00 0.08 0.10 0.00 -0.96 0.00 0.00 56.93 56.16 1r8p s PHE 78 Cb 0.00 0.05 -0.05 0.00 -0.34 0.00 0.00 43.02 42.68 1r8p s PHE 78 CO 0.00 -0.38 -0.19 -1.64 -1.46 0.00 0.00 175.22 171.56 1r8p s MET 79 N -1.56 1.48 -0.18 10.12 -1.94 -0.92 -4.98 119.30 121.32 1r8p s MET 79 Ca -0.12 -1.62 -0.04 0.00 -1.71 0.00 0.00 55.69 52.20 1r8p s MET 79 Cb -0.05 -1.52 0.08 0.00 2.01 0.00 0.00 34.83 35.35 1r8p s MET 79 CO 0.02 0.29 0.20 0.45 -0.01 0.00 0.00 175.02 175.97 1r8p s SER 80 N -3.17 1.35 0.00 3.03 0.15 -1.26 -3.95 113.70 109.84 1r8p s SER 80 Ca 0.24 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1r8p s SER 80 Cb -0.04 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1r8p s SER 80 CO 0.10 -0.31 0.00 -0.38 1.20 0.00 0.00 173.24 173.85