#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 1.21 0.62 2.03 2.01 -1.19 -4.91 115.64 115.42 1r8p s THR 2 Ca 0.00 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1r8p s THR 2 Cb 0.00 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1r8p s THR 2 CO 0.00 0.36 1.01 -2.16 -0.69 0.00 0.00 174.62 173.14 1r8p s PRO 3 N 0.32 3.32 0.12 4.92 0.04 -1.24 -2.55 135.00 139.94 1r8p s PRO 3 Ca -0.08 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1r8p s PRO 3 Cb -0.13 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1r8p s PRO 3 CO 0.03 -0.67 0.15 0.96 0.04 0.00 0.00 177.00 177.51 1r8p s ILE 4 N -3.16 0.11 -0.10 0.56 -4.36 -1.24 -2.24 121.20 110.78 1r8p s ILE 4 Ca 0.55 -1.57 -0.05 0.00 -0.26 0.00 0.00 60.65 59.32 1r8p s ILE 4 Cb -0.11 -1.77 0.04 0.00 1.25 0.00 0.00 42.46 41.87 1r8p s ILE 4 CO 0.51 -0.51 0.22 -0.69 0.24 0.00 0.00 174.94 174.72 1r8p s VAL 5 N -3.97 -0.05 -0.12 8.37 1.01 -0.42 -3.92 120.40 121.31 1r8p s VAL 5 Ca 0.16 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1r8p s VAL 5 Cb 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1r8p s VAL 5 CO -0.03 0.07 0.03 -1.00 0.00 0.00 0.00 175.10 174.17 1r8p s HIS 6 N 1.26 3.24 0.02 5.22 3.76 -1.25 -1.52 115.29 126.01 1r8p s HIS 6 Ca -0.09 0.18 0.06 0.00 -0.15 0.00 0.00 55.06 55.06 1r8p s HIS 6 Cb -0.11 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 1r8p s HIS 6 CO -0.08 0.40 -0.19 -0.48 -0.85 0.00 0.00 174.74 173.54 1r8p s LEU 7 N -0.54 2.11 0.07 0.89 0.05 -1.15 -2.25 118.68 117.86 1r8p s LEU 7 Ca 0.10 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 53.86 1r8p s LEU 7 Cb -0.12 -0.95 -0.03 0.00 -2.05 0.00 0.00 46.19 43.04 1r8p s LEU 7 CO 0.02 0.18 -0.07 -0.75 -0.55 0.00 0.00 176.35 175.18 1r8p s LYS 8 N -0.85 0.66 0.00 1.48 2.47 -1.24 -3.05 119.74 119.21 1r8p s LYS 8 Ca 0.07 -1.03 0.00 0.00 -1.56 0.00 0.00 55.97 53.45 1r8p s LYS 8 Cb -0.08 -0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.07 1r8p s LYS 8 CO 0.01 0.01 0.00 0.41 0.16 0.00 0.00 175.35 175.94 1r8p n GLY 9 N 0.75 -2.60 3.76 5.54 0.00 -1.25 -3.55 105.19 107.82 1r8p n GLY 9 Ca -0.18 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.51 5.28 0.16 1.61 2.15 -1.26 -4.57 116.67 119.53 1r8p s ASP 10 Ca 0.00 2.31 -0.20 0.00 0.43 0.00 0.00 52.55 55.09 1r8p s ASP 10 Cb 0.00 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1r8p s ASP 10 CO 0.00 -1.53 1.64 0.00 -0.17 0.00 0.00 175.17 175.11 1r8p h ALA 11 N 0.87 0.02 -0.76 3.66 0.00 -1.92 -0.78 119.26 120.35 1r8p h ALA 11 Ca -0.50 0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.69 1r8p h ALA 11 Cb 1.29 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 19.43 1r8p h ALA 11 CO 0.55 -0.59 0.19 -0.91 0.00 0.00 0.00 179.25 178.49 1r8p h ASN 12 N -0.16 0.02 -0.02 0.00 2.35 -2.01 0.87 115.58 116.63 1r8p h ASN 12 Ca 0.17 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1r8p h ASN 12 Cb 0.43 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1r8p h ASN 12 CO -0.44 -0.05 0.10 0.74 -1.65 0.00 0.00 177.43 176.14 1r8p h THR 13 N 0.27 0.08 0.05 2.81 2.02 -1.50 -0.79 112.91 115.85 1r8p h THR 13 Ca 0.43 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.35 1r8p h THR 13 Cb 0.76 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1r8p h THR 13 CO -0.53 0.00 -1.37 -0.07 0.37 0.00 0.00 175.52 173.92 1r8p h LEU 14 N 0.00 0.16 -1.24 2.58 3.38 0.98 -3.28 115.31 117.89 1r8p h LEU 14 Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1r8p h LEU 14 Cb 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1r8p h LEU 14 CO -0.00 1.18 0.39 0.50 0.09 0.00 0.00 178.44 180.60 1r8p h LYS 15 N 0.03 0.91 -0.08 1.13 3.64 -0.76 -2.53 116.57 118.91 1r8p h LYS 15 Ca -0.16 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1r8p h LYS 15 Cb 1.92 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1r8p h LYS 15 CO 0.13 0.65 -0.10 0.00 -2.27 0.00 0.00 179.45 177.86 1r8p h LEU 17 N -0.24 -0.35 -1.61 0.00 3.38 -1.58 -1.81 115.31 113.10 1r8p h LEU 17 Ca 0.01 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.38 1r8p h LEU 17 Cb 0.64 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1r8p h LEU 17 CO 0.02 -0.21 0.85 -0.09 0.09 0.00 0.00 178.44 179.11 1r8p h ARG 18 N -0.30 0.15 0.00 1.13 2.43 -1.54 1.80 114.38 118.05 1r8p h ARG 18 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1r8p h ARG 18 Cb 0.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1r8p h ARG 18 CO -0.03 0.10 0.00 0.98 -1.51 0.00 0.00 179.97 179.51 1r8p n TYR 19 N -4.46 0.51 -0.11 2.20 9.36 -0.68 -2.33 117.16 121.65 1r8p n TYR 19 Ca 0.31 0.23 -0.12 0.00 3.32 0.00 0.00 57.90 61.64 1r8p n TYR 19 Cb 1.27 -0.88 -0.15 0.00 -0.63 0.00 0.00 39.34 38.96 1r8p n TYR 19 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1r8p n ARG 20 N -2.00 0.70 0.05 2.98 1.74 0.61 -4.29 116.66 116.45 1r8p n ARG 20 Ca 0.01 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.11 1r8p n ARG 20 Cb 0.11 -1.51 0.26 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.43 -0.41 -1.55 0.04 -1.16 -1.27 116.94 113.03 1r8p h PHE 21 Ca -0.55 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.11 1r8p h PHE 21 Cb 2.13 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 40.15 1r8p h PHE 21 CO 0.01 0.59 0.15 0.87 -0.60 0.00 0.00 178.31 179.33 1r8p h LYS 22 N 0.35 0.62 -0.01 1.51 1.79 -1.70 -2.11 116.57 117.01 1r8p h LYS 22 Ca 0.06 -0.12 -0.18 0.00 -2.18 0.00 0.00 60.65 58.23 1r8p h LYS 22 Cb 0.59 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1r8p h LYS 22 CO 0.04 0.59 -0.80 0.87 -1.08 0.00 0.00 179.45 179.07 1r8p h LYS 23 N 0.51 0.20 -1.10 3.15 1.79 -1.71 -3.16 116.57 116.25 1r8p h LYS 23 Ca 0.13 -0.19 -0.47 0.00 -2.18 0.00 0.00 60.65 57.94 1r8p h LYS 23 Cb 0.21 0.05 -0.24 0.00 -1.58 0.00 0.00 32.23 30.67 1r8p h LYS 23 CO -0.01 0.90 0.60 0.72 -1.08 0.00 0.00 179.45 180.58 1r8p n HIS 24 N -3.71 2.49 0.00 -1.35 8.25 -0.49 -4.77 115.22 115.64 1r8p n HIS 24 Ca -0.03 -2.05 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 1r8p n HIS 24 Cb 0.76 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 2.33 0.32 -0.74 0.00 -2.24 -1.26 -4.86 114.28 107.83 1r8p n THR 26 Ca 0.00 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1r8p n THR 26 Cb 0.00 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.02 0.00 -4.39 3.22 4.77 -1.18 -5.11 117.00 114.30 1r8p n LEU 27 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1r8p n LEU 27 Cb 0.97 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.96 1r8p n LEU 27 CO -0.04 0.03 -0.40 -0.72 -1.33 0.00 0.00 177.39 174.93 1r8p s TYR 28 N 0.00 1.83 -0.23 -1.77 -0.85 -1.26 -4.72 117.35 110.35 1r8p s TYR 28 Ca 0.00 -0.64 0.04 0.00 -0.52 0.00 0.00 57.07 55.95 1r8p s TYR 28 Cb 0.00 -0.95 -0.16 0.00 0.38 0.00 0.00 41.96 41.23 1r8p s TYR 28 CO 0.00 0.32 -0.17 2.41 -1.52 0.00 0.00 175.55 176.58 1r8p n THR 29 N -0.48 1.34 -3.65 -3.49 -1.04 -0.91 -4.98 114.28 101.08 1r8p n THR 29 Ca -0.07 -0.55 -0.01 0.00 -2.04 0.00 0.00 64.05 61.38 1r8p n THR 29 Cb 0.62 -1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 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 -2.05 -0.54 2.41 0.00 -1.21 -5.02 121.76 112.89 1r8p s ALA 30 Ca -0.29 2.35 -0.22 0.00 0.00 0.00 0.00 51.96 53.80 1r8p s ALA 30 Cb 0.08 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.47 1r8p s ALA 30 CO 0.57 -0.93 0.84 0.54 0.00 0.00 0.00 175.76 176.78 1r8p s VAL 31 N 2.89 4.55 0.67 0.00 0.11 -1.26 -3.22 120.40 124.15 1r8p s VAL 31 Ca -0.06 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.85 1r8p s VAL 31 Cb -0.12 -4.46 0.01 0.00 -1.53 0.00 0.00 36.38 30.28 1r8p s VAL 31 CO -0.19 -1.01 1.20 -0.94 -3.33 0.00 0.00 175.10 170.82 1r8p s SER 32 N 2.80 4.65 0.78 3.54 1.04 -0.98 -4.96 113.70 120.57 1r8p s SER 32 Ca 0.25 2.32 -0.14 0.00 0.48 0.00 0.00 55.95 58.87 1r8p s SER 32 Cb -0.15 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.45 1r8p s SER 32 CO 0.17 -1.95 1.20 -0.55 0.98 0.00 0.00 173.24 173.09 1r8p s SER 33 N -1.96 3.82 0.11 7.02 0.15 -1.26 -4.51 113.70 117.07 1r8p s SER 33 Ca 0.74 2.34 -0.31 0.00 0.70 0.00 0.00 55.95 59.42 1r8p s SER 33 Cb -0.28 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.36 1r8p s SER 33 CO 0.41 -2.51 1.44 -0.89 1.20 0.00 0.00 173.24 172.89 1r8p s THR 34 N -2.13 3.20 0.36 6.45 2.01 -1.26 -4.61 115.64 119.66 1r8p s THR 34 Ca 0.73 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 1r8p s THR 34 Cb -0.28 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1r8p s THR 34 CO 0.49 0.05 0.47 -1.66 -0.69 0.00 0.00 174.62 173.28 1r8p s TRP 35 N 1.35 1.22 0.27 4.92 1.48 0.26 -4.85 118.94 123.59 1r8p s TRP 35 Ca 0.66 -1.39 -0.21 0.00 -1.06 0.00 0.00 56.10 54.10 1r8p s TRP 35 Cb -0.38 -0.16 0.05 0.00 -1.16 0.00 0.00 33.47 31.82 1r8p s TRP 35 CO 0.30 -1.15 0.83 -1.58 -4.06 0.00 0.00 176.95 171.30 1r8p s HIS 36 N -2.94 -0.07 -0.08 1.66 2.46 -1.26 0.27 115.29 115.33 1r8p s HIS 36 Ca 0.32 -0.41 -0.30 0.00 0.47 0.00 0.00 55.06 55.15 1r8p s HIS 36 Cb -0.00 0.73 -0.02 0.00 -0.13 0.00 0.00 32.58 33.15 1r8p s HIS 36 CO 0.23 -1.19 1.04 -1.58 -2.47 0.00 0.00 174.74 170.77 1r8p s TRP 37 N -3.15 3.47 0.13 3.88 0.52 -1.26 -5.02 118.94 117.52 1r8p s TRP 37 Ca 0.14 1.53 0.05 0.00 0.02 0.00 0.00 56.10 57.84 1r8p s TRP 37 Cb -0.04 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1r8p s TRP 37 CO 0.07 -0.41 0.05 -0.08 0.02 0.00 0.00 176.95 176.60 1r8p s THR 38 N 1.91 4.16 0.12 2.01 -1.32 -1.26 -5.01 115.64 116.26 1r8p s THR 38 Ca 0.50 -1.10 -0.25 0.00 -1.21 0.00 0.00 61.69 59.63 1r8p s THR 38 Cb -0.20 -3.06 0.08 0.00 -1.51 0.00 0.00 72.50 67.81 1r8p s THR 38 CO 0.20 -0.01 1.10 -0.83 -2.21 0.00 0.00 174.62 172.86 1r8p s GLY 39 N -2.74 -0.07 0.50 6.08 0.00 -1.26 -5.01 107.32 104.82 1r8p s GLY 39 Ca 0.28 -0.04 0.21 0.00 0.00 0.00 0.00 44.72 45.17 1r8p s GLY 39 CO 0.21 2.08 2.07 0.45 0.00 0.00 0.00 173.10 177.91 1r8p h HIS 40 N 2.00 0.00 -3.48 1.90 3.86 -2.08 -3.36 115.15 113.98 1r8p h HIS 40 Ca -0.26 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.32 1r8p h HIS 40 Cb 1.21 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.29 1r8p h HIS 40 CO 1.02 0.12 -0.74 -0.80 0.86 0.00 0.00 177.93 178.38 1r8p s ASN 41 N -6.64 4.34 0.50 2.45 -0.87 -1.26 -5.11 114.94 108.35 1r8p s ASN 41 Ca -0.04 -1.80 0.04 0.00 -1.57 0.00 0.00 52.86 49.49 1r8p s ASN 41 Cb 0.15 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.25 40.11 1r8p s ASN 41 CO 0.64 -0.37 0.18 0.68 -2.57 0.00 0.00 177.10 175.66 1r8p s VAL 42 N 1.25 1.57 0.22 1.60 -7.23 -1.26 -5.11 120.40 111.45 1r8p s VAL 42 Ca 0.08 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1r8p s VAL 42 Cb -0.18 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1r8p s VAL 42 CO -0.14 0.00 0.09 2.29 -0.31 0.00 0.00 175.10 177.03 1r8p n LYS 43 N -1.43 0.66 0.01 4.82 2.85 -1.26 -5.05 118.16 118.76 1r8p n LYS 43 Ca -0.09 -1.92 -0.11 0.00 -1.05 0.00 0.00 58.31 55.14 1r8p n LYS 43 Cb 0.66 1.12 -0.04 0.00 -0.65 0.00 0.00 35.03 36.11 1r8p n LYS 43 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1r8p h HIS 44 N 1.41 -0.87 -1.52 5.58 -0.00 -2.05 -3.39 115.15 114.32 1r8p h HIS 44 Ca -0.17 0.04 -0.66 0.00 -0.00 0.00 0.00 60.37 59.58 1r8p h HIS 44 Cb 0.68 0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1r8p h HIS 44 CO 0.00 -0.40 1.25 1.63 -0.00 0.00 0.00 177.93 180.42 1r8p n LYS 45 N -5.41 1.49 -2.74 5.26 5.02 -1.26 -4.83 118.16 115.70 1r8p n LYS 45 Ca -0.03 0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 56.66 1r8p n LYS 45 Cb 0.32 -2.53 0.07 0.00 -0.02 0.00 0.00 35.03 32.87 1r8p n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r8p n SER 46 N 8.40 -2.62 -3.29 4.39 2.88 -1.26 -4.99 113.62 117.13 1r8p n SER 46 Ca 0.32 -3.37 0.03 0.00 -1.33 0.00 0.00 58.87 54.53 1r8p n SER 46 Cb 0.25 1.82 -0.03 0.00 -0.75 0.00 0.00 64.21 65.50 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r8p s ALA 47 N 0.51 -2.87 0.04 -1.46 0.00 -1.26 -4.77 121.76 111.96 1r8p s ALA 47 Ca 0.28 1.83 -0.04 0.00 0.00 0.00 0.00 51.96 54.02 1r8p s ALA 47 Cb 0.25 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1r8p s ALA 47 CO -0.17 -1.18 0.06 0.42 0.00 0.00 0.00 175.76 174.90 1r8p s ILE 48 N 2.69 0.15 -0.04 0.00 1.01 0.76 -3.96 121.20 121.82 1r8p s ILE 48 Ca 0.01 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1r8p s ILE 48 Cb -0.09 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1r8p s ILE 48 CO -0.16 -0.69 -0.02 -0.69 0.00 0.00 0.00 174.94 173.38 1r8p s VAL 49 N -2.90 0.34 0.17 2.92 1.01 -1.17 0.92 120.40 121.68 1r8p s VAL 49 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1r8p s VAL 49 Cb 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 1r8p s VAL 49 CO -0.06 0.18 0.43 -0.89 0.00 0.00 0.00 175.10 174.76 1r8p s THR 50 N 0.96 5.09 -0.07 3.92 2.01 -1.26 -2.92 115.64 123.37 1r8p s THR 50 Ca -0.11 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1r8p s THR 50 Cb -0.14 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1r8p s THR 50 CO -0.01 -0.00 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.15 1r8p s LEU 51 N -2.72 0.71 -0.03 4.42 1.43 -0.57 -2.32 118.68 119.61 1r8p s LEU 51 Ca 0.43 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1r8p s LEU 51 Cb -0.12 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 1r8p s LEU 51 CO 0.24 -0.17 0.21 0.42 0.23 0.00 0.00 176.35 177.27 1r8p s THR 52 N 1.83 5.40 0.19 5.49 -4.23 -1.20 -1.31 115.64 121.81 1r8p s THR 52 Ca 0.03 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 1r8p s THR 52 Cb -0.12 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1r8p s THR 52 CO -0.05 0.40 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.94 1r8p s TYR 53 N -1.25 1.92 -1.47 3.99 1.51 -0.95 -2.13 117.35 118.96 1r8p s TYR 53 Ca 0.25 -0.46 0.29 0.00 -1.01 0.00 0.00 57.07 56.14 1r8p s TYR 53 Cb -0.13 -0.92 1.22 0.00 -0.11 0.00 0.00 41.96 42.02 1r8p s TYR 53 CO 0.15 0.41 1.86 -0.25 -1.11 0.00 0.00 175.55 176.61 1r8p n ASP 54 N 0.03 0.33 -3.49 2.29 8.00 -1.26 -3.68 116.55 118.76 1r8p n ASP 54 Ca -0.11 -0.33 -0.12 0.00 0.71 0.00 0.00 54.79 54.94 1r8p n ASP 54 Cb 0.58 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1r8p s SER 55 N -2.60 -0.48 0.13 -2.24 0.01 -1.26 -4.90 113.70 102.35 1r8p s SER 55 Ca 0.25 0.21 -0.12 0.00 1.31 0.00 0.00 55.95 57.60 1r8p s SER 55 Cb 0.20 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 1r8p s SER 55 CO 0.50 -0.67 1.50 -0.33 0.41 0.00 0.00 173.24 174.65 1r8p h GLU 56 N 2.29 0.87 -0.13 12.44 5.08 -1.96 -2.80 114.58 130.37 1r8p h GLU 56 Ca -0.26 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1r8p h GLU 56 Cb 1.23 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1r8p h GLU 56 CO 0.35 1.04 -0.20 2.35 -1.00 0.00 0.00 179.01 181.54 1r8p h TRP 57 N 0.68 -0.53 -0.36 4.33 7.01 -2.01 -0.35 115.95 124.72 1r8p h TRP 57 Ca 0.09 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1r8p h TRP 57 Cb 0.80 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 1r8p h TRP 57 CO 0.06 -0.28 0.24 0.37 -2.79 0.00 0.00 178.44 176.04 1r8p h GLN 58 N -0.26 0.36 0.39 2.65 4.15 -1.94 -2.70 115.11 117.77 1r8p h GLN 58 Ca 0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1r8p h GLN 58 Cb 0.40 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1r8p h GLN 58 CO -0.28 0.24 -0.23 -0.09 -1.93 0.00 0.00 178.83 176.54 1r8p h ARG 59 N 0.37 -0.57 0.00 1.69 2.43 -0.79 -1.99 114.38 115.52 1r8p h ARG 59 Ca 0.15 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1r8p h ARG 59 Cb 0.13 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1r8p h ARG 59 CO -0.03 -0.38 -0.03 0.22 -1.51 0.00 0.00 179.97 178.24 1r8p h ASP 60 N -0.59 0.00 0.32 -3.80 3.58 -1.15 -2.78 116.42 112.00 1r8p h ASP 60 Ca -0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1r8p h ASP 60 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1r8p h ASP 60 CO 0.05 0.03 -0.15 1.56 -2.88 0.00 0.00 179.24 177.85 1r8p h GLN 61 N 0.00 -0.41 -0.47 0.28 4.20 -1.08 -2.70 115.11 114.93 1r8p h GLN 61 Ca -0.00 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1r8p h GLN 61 Cb 0.08 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1r8p h GLN 61 CO 0.00 -0.12 0.17 0.35 -0.67 0.00 0.00 178.83 178.57 1r8p h PHE 62 N -0.71 0.31 -0.01 2.96 3.04 -1.20 0.73 116.94 122.06 1r8p h PHE 62 Ca -0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1r8p h PHE 62 Cb 0.49 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 1r8p h PHE 62 CO 0.01 0.11 0.04 -0.07 -2.02 0.00 0.00 178.31 176.39 1r8p h LEU 63 N 0.35 0.00 0.00 0.59 3.38 -1.50 0.33 115.31 118.46 1r8p h LEU 63 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1r8p h LEU 63 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1r8p h LEU 63 CO -0.22 0.00 -1.40 -0.24 0.09 0.00 0.00 178.44 176.67 1r8p n SER 64 N -3.15 0.65 0.02 -0.43 2.88 0.14 -4.15 113.62 109.59 1r8p n SER 64 Ca -0.03 0.27 0.08 0.00 -1.33 0.00 0.00 58.87 57.86 1r8p n SER 64 Cb 0.11 0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 64.12 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 -2.68 0.64 -3.29 -1.46 1.13 -0.20 -4.79 117.38 106.73 1r8p n GLN 65 Ca -0.06 -0.05 -0.44 0.00 -1.94 0.00 0.00 57.00 54.51 1r8p n GLN 65 Cb 0.69 -1.63 -0.07 0.00 0.11 0.00 0.00 30.24 29.34 1r8p n GLN 65 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1r8p s VAL 66 N -3.32 5.08 -0.44 5.09 1.01 0.99 -5.00 120.40 123.82 1r8p s VAL 66 Ca -0.06 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1r8p s VAL 66 Cb 0.12 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1r8p s VAL 66 CO 0.86 -0.66 2.37 2.29 0.00 0.00 0.00 175.10 179.96 1r8p n LYS 67 N 5.61 1.22 -2.89 2.72 2.85 -1.26 -4.83 118.16 121.58 1r8p n LYS 67 Ca -0.10 0.15 -0.43 0.00 -1.05 0.00 0.00 58.31 56.88 1r8p n LYS 67 Cb 0.45 -3.23 -0.04 0.00 -0.65 0.00 0.00 35.03 31.56 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 10.77 4.40 0.95 0.58 1.01 -1.26 -5.01 121.20 132.64 1r8p s ILE 68 Ca 1.02 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.02 1r8p s ILE 68 Cb -0.32 -4.67 -0.08 0.00 0.01 0.00 0.00 42.46 37.41 1r8p s ILE 68 CO 0.31 -1.43 -0.28 -0.81 0.00 0.00 0.00 174.94 172.74 1r8p n PRO 69 N 7.50 -0.10 0.12 2.79 -0.04 -1.26 -4.73 135.00 139.28 1r8p n PRO 69 Ca -0.03 -0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1r8p n PRO 69 Cb 0.45 -1.36 0.45 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.76 0.13 0.15 0.54 5.02 -1.26 -1.39 118.16 122.10 1r8p n LYS 70 Ca 0.02 0.52 0.10 0.00 -2.02 0.00 0.00 58.31 56.93 1r8p n LYS 70 Cb 0.55 -1.83 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 1r8p n LYS 70 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1r8p h THR 71 N 0.00 0.15 -3.60 -0.18 1.35 -1.94 -3.43 112.91 105.26 1r8p h THR 71 Ca 0.00 -1.23 -0.66 0.00 -0.55 0.00 0.00 66.41 63.97 1r8p h THR 71 Cb 0.13 1.87 -0.16 0.00 -1.73 0.00 0.00 68.15 68.26 1r8p h THR 71 CO 0.00 0.08 -0.07 -0.63 -0.25 0.00 0.00 175.52 174.65 1r8p s ILE 72 N -3.21 5.02 0.07 6.82 -1.09 -0.48 -4.54 121.20 123.78 1r8p s ILE 72 Ca 0.03 0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.52 1r8p s ILE 72 Cb 0.07 -4.00 -0.06 0.00 -1.58 0.00 0.00 42.46 36.90 1r8p s ILE 72 CO 0.74 -0.29 0.39 -0.89 -1.23 0.00 0.00 174.94 173.66 1r8p s THR 73 N 2.38 5.11 0.64 2.92 2.01 -1.23 -4.71 115.64 122.75 1r8p s THR 73 Ca 0.17 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 1r8p s THR 73 Cb -0.16 -3.64 0.06 0.00 0.01 0.00 0.00 72.50 68.78 1r8p s THR 73 CO 0.14 0.29 0.90 0.54 -0.69 0.00 0.00 174.62 175.80 1r8p s VAL 74 N -1.39 2.43 0.04 3.82 0.11 -1.26 -3.60 120.40 120.55 1r8p s VAL 74 Ca 0.33 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1r8p s VAL 74 Cb -0.14 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 1r8p s VAL 74 CO 0.18 0.00 0.06 -0.44 -3.33 0.00 0.00 175.10 171.57 1r8p s SER 75 N -4.53 0.23 -0.03 3.54 0.01 -0.95 -4.86 113.70 107.10 1r8p s SER 75 Ca 0.60 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1r8p s SER 75 Cb -0.09 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.35 1r8p s SER 75 CO 0.42 -0.48 -0.09 0.42 0.41 0.00 0.00 173.24 173.91 1r8p s THR 76 N -2.57 0.83 0.01 1.44 -4.23 -1.26 -3.95 115.64 105.91 1r8p s THR 76 Ca -0.05 -0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1r8p s THR 76 Cb -0.01 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 73.09 1r8p s THR 76 CO -0.05 0.26 0.08 0.61 -0.54 0.00 0.00 174.62 174.98 1r8p n GLY 77 N 3.38 1.19 3.17 3.99 0.00 -1.25 -5.04 105.19 110.64 1r8p n GLY 77 Ca -0.19 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.47 -0.22 0.07 1.61 5.36 -1.26 -3.71 117.98 114.35 1r8p s PHE 78 Ca 0.02 0.50 0.02 0.00 -0.96 0.00 0.00 56.93 56.50 1r8p s PHE 78 Cb -0.00 0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1r8p s PHE 78 CO 0.00 -0.23 -0.07 -1.64 -1.46 0.00 0.00 175.22 171.83 1r8p s MET 79 N -0.44 0.69 -0.20 10.12 -1.94 -1.06 -5.00 119.30 121.49 1r8p s MET 79 Ca -0.05 -1.07 -0.04 0.00 -1.71 0.00 0.00 55.69 52.81 1r8p s MET 79 Cb -0.04 -0.25 0.08 0.00 2.01 0.00 0.00 34.83 36.64 1r8p s MET 79 CO 0.01 0.01 0.14 -1.54 -0.01 0.00 0.00 175.02 173.64 1r8p s SER 80 N -2.37 2.16 0.00 3.03 1.04 -1.26 -3.14 113.70 113.15 1r8p s SER 80 Ca 0.02 -0.57 0.28 0.00 0.48 0.00 0.00 55.95 56.16 1r8p s SER 80 Cb -0.02 -0.04 1.15 0.00 0.10 0.00 0.00 66.02 67.22 1r8p s SER 80 CO -0.02 -0.35 1.80 -0.38 0.98 0.00 0.00 173.24 175.27