#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 4.75 1.04 2.03 -4.23 -1.24 -4.85 115.64 113.14 1r8p s THR 2 Ca 0.00 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1r8p s THR 2 Cb 0.00 -4.03 0.15 0.00 1.34 0.00 0.00 72.50 69.96 1r8p s THR 2 CO 0.00 -0.75 0.68 -0.81 -0.54 0.00 0.00 174.62 173.20 1r8p n PRO 3 N 5.09 -1.20 -3.71 3.99 -0.04 -1.20 -3.23 135.00 134.70 1r8p n PRO 3 Ca -0.11 -0.31 -0.15 0.00 -0.04 0.00 0.00 63.50 62.89 1r8p n PRO 3 Cb 0.41 -2.05 -0.15 0.00 -0.04 0.00 0.00 33.50 31.68 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 -2.43 -0.16 -0.11 0.52 -4.36 -0.82 -2.21 121.20 111.63 1r8p s ILE 4 Ca 0.63 0.25 -0.15 0.00 -0.26 0.00 0.00 60.65 61.12 1r8p s ILE 4 Cb -0.21 -0.29 -0.05 0.00 1.25 0.00 0.00 42.46 43.16 1r8p s ILE 4 CO 0.64 0.11 0.37 0.54 0.24 0.00 0.00 174.94 176.84 1r8p s VAL 5 N 1.71 5.22 -0.20 8.37 0.11 -0.48 -3.33 120.40 131.80 1r8p s VAL 5 Ca -0.04 0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 59.67 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 0.42 0.05 -2.28 -3.33 0.00 0.00 175.10 169.90 1r8p s HIS 6 N 0.13 3.15 -0.10 1.54 2.46 -1.23 -1.84 115.29 119.41 1r8p s HIS 6 Ca 0.21 -0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.61 1r8p s HIS 6 Cb -0.14 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.17 1r8p s HIS 6 CO 0.08 -0.06 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.97 1r8p s LEU 7 N 0.84 2.62 0.15 8.88 2.96 -1.18 -2.29 118.68 130.66 1r8p s LEU 7 Ca 0.03 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1r8p s LEU 7 Cb -0.14 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1r8p s LEU 7 CO 0.02 0.23 0.11 -0.75 -1.32 0.00 0.00 176.35 174.64 1r8p s LYS 8 N -0.04 1.02 0.00 1.98 2.20 -1.25 -2.75 119.74 120.91 1r8p s LYS 8 Ca -0.04 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 1r8p s LYS 8 Cb -0.14 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1r8p s LYS 8 CO 0.04 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1r8p n GLY 9 N -0.15 -0.75 3.75 5.54 0.00 -1.26 -3.45 105.19 108.87 1r8p n GLY 9 Ca -0.04 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.38 6.63 0.20 1.61 1.11 -1.26 -4.64 116.67 116.95 1r8p s ASP 10 Ca 0.00 2.71 -0.13 0.00 0.18 0.00 0.00 52.55 55.32 1r8p s ASP 10 Cb 0.00 -2.63 0.23 0.00 1.07 0.00 0.00 42.92 41.59 1r8p s ASP 10 CO 0.00 -0.70 1.68 0.00 1.18 0.00 0.00 175.17 177.33 1r8p h ALA 11 N 4.65 0.52 -0.12 5.23 0.00 -1.92 -2.01 119.26 125.62 1r8p h ALA 11 Ca -0.47 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1r8p h ALA 11 Cb 1.22 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 1r8p h ALA 11 CO 0.75 -0.39 -0.37 -0.97 0.00 0.00 0.00 179.25 178.27 1r8p h ASN 12 N 0.12 -1.17 -0.11 0.00 -1.24 -1.99 0.97 115.58 112.16 1r8p h ASN 12 Ca 0.28 0.16 0.03 0.00 0.71 0.00 0.00 56.30 57.48 1r8p h ASN 12 Cb 0.43 0.48 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 1r8p h ASN 12 CO -0.46 -0.40 0.11 0.74 -1.29 0.00 0.00 177.43 176.13 1r8p h THR 13 N -0.46 0.55 -0.05 -3.57 2.02 -1.79 -1.02 112.91 108.59 1r8p h THR 13 Ca 0.08 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 1r8p h THR 13 Cb 0.59 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1r8p h THR 13 CO -0.37 0.00 -0.60 -0.07 0.37 0.00 0.00 175.52 174.85 1r8p h LEU 14 N 0.00 0.19 -0.74 2.58 3.38 -0.13 -3.05 115.31 117.53 1r8p h LEU 14 Ca 0.05 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1r8p h LEU 14 Cb 0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1r8p h LEU 14 CO -0.00 0.74 0.49 0.50 0.09 0.00 0.00 178.44 180.25 1r8p h LYS 15 N 0.12 0.96 -0.26 1.13 3.64 -0.59 -2.61 116.57 118.95 1r8p h LYS 15 Ca -0.01 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 1r8p h LYS 15 Cb 1.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1r8p h LYS 15 CO 0.09 0.63 -0.47 0.00 -2.27 0.00 0.00 179.45 177.43 1r8p h LEU 17 N 0.55 -0.69 -1.02 0.00 3.38 -1.37 -1.71 115.31 114.45 1r8p h LEU 17 Ca 0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1r8p h LEU 17 Cb 1.02 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1r8p h LEU 17 CO 0.10 -0.44 0.77 -0.09 0.09 0.00 0.00 178.44 178.87 1r8p h ARG 18 N -0.70 0.00 0.74 1.13 2.43 -1.54 -1.30 114.38 115.14 1r8p h ARG 18 Ca -0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1r8p h ARG 18 Cb 0.57 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1r8p h ARG 18 CO 0.06 0.00 -0.36 -0.92 -1.51 0.00 0.00 179.97 177.24 1r8p h TYR 19 N 0.00 -0.92 0.00 2.20 3.20 -1.41 -2.86 116.97 117.17 1r8p h TYR 19 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1r8p h TYR 19 Cb 1.64 0.31 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1r8p h TYR 19 CO 0.00 -0.56 0.00 0.54 -1.64 0.00 0.00 178.16 176.50 1r8p n ARG 20 N -5.45 0.19 -0.18 1.82 1.74 -0.52 -2.75 116.66 111.51 1r8p n ARG 20 Ca -0.13 0.46 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 1r8p n ARG 20 Cb 0.40 -1.89 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 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 1.06 0.00 -1.55 -1.00 -1.26 -2.69 116.94 111.50 1r8p h PHE 21 Ca 0.00 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.56 1r8p h PHE 21 Cb 0.30 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1r8p h PHE 21 CO 0.00 0.98 -0.09 0.87 -1.61 0.00 0.00 178.31 178.46 1r8p h LYS 22 N 0.83 0.00 -0.03 1.51 1.79 -1.45 -2.62 116.57 116.60 1r8p h LYS 22 Ca 0.14 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.37 1r8p h LYS 22 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1r8p h LYS 22 CO 0.04 0.09 -0.95 0.87 -1.08 0.00 0.00 179.45 178.41 1r8p h LYS 23 N 0.00 0.64 -1.65 3.15 1.79 -1.62 -3.26 116.57 115.62 1r8p h LYS 23 Ca -0.00 -0.64 -0.56 0.00 -2.18 0.00 0.00 60.65 57.27 1r8p h LYS 23 Cb 0.24 0.17 -0.22 0.00 -1.58 0.00 0.00 32.23 30.85 1r8p h LYS 23 CO 0.01 1.24 0.67 0.72 -1.08 0.00 0.00 179.45 181.01 1r8p n HIS 24 N -3.84 2.29 0.21 -1.35 8.25 -0.99 -4.61 115.22 115.17 1r8p n HIS 24 Ca -0.09 -2.29 0.12 0.00 -0.26 0.00 0.00 57.72 55.20 1r8p n HIS 24 Cb 0.84 -1.25 0.65 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.39 0.30 0.01 0.00 -2.24 -1.26 -4.11 114.28 104.59 1r8p n THR 26 Ca -0.02 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 1r8p n THR 26 Cb 0.14 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.11 0.72 -4.64 3.22 4.77 0.12 -4.95 117.00 117.34 1r8p n LEU 27 Ca 0.18 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 1r8p n LEU 27 Cb 0.53 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1r8p n LEU 27 CO 0.15 0.20 -0.26 -0.72 -1.33 0.00 0.00 177.39 175.42 1r8p s TYR 28 N -2.88 2.11 -0.23 -1.77 -0.85 -1.25 -4.87 117.35 107.62 1r8p s TYR 28 Ca -0.04 -0.89 0.07 0.00 -0.52 0.00 0.00 57.07 55.70 1r8p s TYR 28 Cb 0.09 -1.58 -0.19 0.00 0.38 0.00 0.00 41.96 40.65 1r8p s TYR 28 CO 0.82 0.22 -0.11 2.41 -1.52 0.00 0.00 175.55 177.37 1r8p n THR 29 N -1.04 1.38 -3.64 -3.49 -1.04 0.60 -4.97 114.28 102.07 1r8p n THR 29 Ca -0.10 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.05 61.23 1r8p n THR 29 Cb 0.67 -1.05 -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 -2.48 -2.01 -0.25 2.41 0.00 -1.24 -4.99 121.76 113.19 1r8p s ALA 30 Ca -0.25 2.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.88 1r8p s ALA 30 Cb 0.08 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1r8p s ALA 30 CO 0.65 -0.71 0.63 0.54 0.00 0.00 0.00 175.76 176.87 1r8p s VAL 31 N 2.38 4.99 0.36 0.00 0.11 -1.26 -3.14 120.40 123.83 1r8p s VAL 31 Ca -0.07 1.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.95 1r8p s VAL 31 Cb -0.09 -3.93 -0.09 0.00 -1.53 0.00 0.00 36.38 30.73 1r8p s VAL 31 CO -0.19 0.04 0.80 -0.94 -3.33 0.00 0.00 175.10 171.47 1r8p s SER 32 N 1.43 6.81 0.86 3.54 1.04 -1.10 -5.04 113.70 121.25 1r8p s SER 32 Ca 0.26 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.97 1r8p s SER 32 Cb -0.16 -2.42 0.11 0.00 0.10 0.00 0.00 66.02 63.66 1r8p s SER 32 CO 0.09 -0.26 1.16 -0.55 0.98 0.00 0.00 173.24 174.66 1r8p s SER 33 N -2.28 3.32 0.22 7.02 0.15 -1.26 -4.45 113.70 116.42 1r8p s SER 33 Ca 0.56 2.22 -0.30 0.00 0.70 0.00 0.00 55.95 59.13 1r8p s SER 33 Cb -0.10 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 1r8p s SER 33 CO 0.17 -2.84 1.37 -0.89 1.20 0.00 0.00 173.24 172.24 1r8p s THR 34 N -2.49 2.97 -0.11 6.45 2.01 -1.26 -4.70 115.64 118.50 1r8p s THR 34 Ca 0.68 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 63.45 1r8p s THR 34 Cb -0.24 -3.51 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1r8p s THR 34 CO 0.55 0.12 0.22 -1.66 -0.69 0.00 0.00 174.62 173.16 1r8p s TRP 35 N 0.08 -0.32 0.66 4.92 1.48 -0.71 -4.86 118.94 120.19 1r8p s TRP 35 Ca 0.58 0.82 -0.11 0.00 -1.06 0.00 0.00 56.10 56.33 1r8p s TRP 35 Cb -0.39 -0.12 -0.01 0.00 -1.16 0.00 0.00 33.47 31.79 1r8p s TRP 35 CO 0.40 -0.31 1.05 -3.38 -4.06 0.00 0.00 176.95 170.65 1r8p s HIS 36 N 2.29 3.44 -0.83 1.66 -3.43 -1.26 -3.96 115.29 113.20 1r8p s HIS 36 Ca 0.01 1.24 -0.08 0.00 -0.80 0.00 0.00 55.06 55.44 1r8p s HIS 36 Cb -0.12 -2.85 -0.16 0.00 -1.43 0.00 0.00 32.58 28.03 1r8p s HIS 36 CO -0.07 -0.94 3.09 0.91 -2.00 0.00 0.00 174.74 175.73 1r8p n TRP 37 N -2.90 1.24 -4.05 0.38 5.03 -1.26 -4.81 117.44 111.07 1r8p n TRP 37 Ca 0.06 -2.23 -0.14 0.00 3.03 0.00 0.00 57.50 58.22 1r8p n TRP 37 Cb 0.55 -1.99 -0.03 0.00 -1.03 0.00 0.00 31.31 28.81 1r8p n TRP 37 CO 0.00 0.00 0.00 -2.37 -0.03 0.00 0.00 177.69 175.29 1r8p n THR 38 N 3.16 0.00 -1.23 -0.99 5.66 -1.26 -5.16 114.28 114.46 1r8p n THR 38 Ca 0.58 -1.73 -0.29 0.00 -3.05 0.00 0.00 64.05 59.56 1r8p n THR 38 Cb 0.50 1.06 0.21 0.00 -1.55 0.00 0.00 70.33 70.54 1r8p n THR 38 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1r8p s GLY 39 N -3.09 1.59 0.03 1.09 0.00 -1.26 -4.97 107.32 100.71 1r8p s GLY 39 Ca 0.28 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 44.01 1r8p s GLY 39 CO 0.20 0.01 1.30 0.84 0.00 0.00 0.00 173.10 175.45 1r8p h HIS 40 N -2.19 -0.79 -1.24 1.90 2.76 -2.02 -3.37 115.15 110.21 1r8p h HIS 40 Ca -0.49 -0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.33 1r8p h HIS 40 Cb 1.31 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.51 1r8p h HIS 40 CO -1.04 -0.49 0.99 1.21 -1.30 0.00 0.00 177.93 177.29 1r8p s ASN 41 N -3.40 4.75 0.06 3.26 3.84 -1.26 -4.89 114.94 117.30 1r8p s ASN 41 Ca -0.12 0.20 -0.13 0.00 0.21 0.00 0.00 52.86 53.01 1r8p s ASN 41 Cb 0.01 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.20 1r8p s ASN 41 CO 0.37 -2.91 0.30 0.54 -2.79 0.00 0.00 177.10 172.62 1r8p s VAL 42 N 11.28 0.09 0.00 -5.21 0.11 -1.26 -5.06 120.40 120.35 1r8p s VAL 42 Ca 0.80 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1r8p s VAL 42 Cb -0.12 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1r8p s VAL 42 CO 0.14 -0.41 0.00 0.29 -3.33 0.00 0.00 175.10 171.79 1r8p n LYS 43 N 0.34 2.40 -1.31 1.54 5.02 -1.26 -5.08 118.16 119.81 1r8p n LYS 43 Ca -0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.71 1r8p n LYS 43 Cb 0.61 -0.77 0.01 0.00 -0.02 0.00 0.00 35.03 34.86 1r8p n LYS 43 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r8p n HIS 44 N -1.10 -2.19 -2.04 2.13 8.25 -1.26 -4.74 115.22 114.27 1r8p n HIS 44 Ca 0.00 0.52 -0.43 0.00 -0.26 0.00 0.00 57.72 57.55 1r8p n HIS 44 Cb 0.16 -1.77 -0.03 0.00 1.12 0.00 0.00 29.99 29.47 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 -1.17 3.74 -0.10 -0.41 2.20 -1.26 -4.95 119.74 117.79 1r8p s LYS 45 Ca 0.60 1.74 -0.30 0.00 -0.36 0.00 0.00 55.97 57.65 1r8p s LYS 45 Cb -0.55 -4.08 0.09 0.00 -1.51 0.00 0.00 37.83 31.78 1r8p s LYS 45 CO 0.63 -1.36 0.78 -1.12 -0.36 0.00 0.00 175.35 173.91 1r8p s SER 46 N 4.66 -0.58 -0.30 1.43 0.01 -1.26 -5.02 113.70 112.64 1r8p s SER 46 Ca 0.75 0.69 -0.17 0.00 1.31 0.00 0.00 55.95 58.54 1r8p s SER 46 Cb -0.27 0.56 0.19 0.00 0.21 0.00 0.00 66.02 66.71 1r8p s SER 46 CO 0.31 -0.50 1.18 0.00 0.41 0.00 0.00 173.24 174.64 1r8p s ALA 47 N -1.01 -2.82 -0.02 1.44 0.00 -1.26 -4.74 121.76 113.36 1r8p s ALA 47 Ca -0.07 1.96 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 1r8p s ALA 47 Cb -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1r8p s ALA 47 CO 0.07 -0.64 0.05 0.42 0.00 0.00 0.00 175.76 175.66 1r8p s ILE 48 N 1.64 0.01 -0.18 0.00 1.01 -1.25 -4.26 121.20 118.16 1r8p s ILE 48 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1r8p s ILE 48 Cb -0.03 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.37 1r8p s ILE 48 CO -0.14 -0.05 -0.16 -0.69 0.00 0.00 0.00 174.94 173.91 1r8p s VAL 49 N -0.11 1.87 0.25 2.92 1.01 -1.11 -1.74 120.40 123.50 1r8p s VAL 49 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1r8p s VAL 49 Cb -0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1r8p s VAL 49 CO 0.00 0.38 0.49 -0.89 0.00 0.00 0.00 175.10 175.08 1r8p s THR 50 N 1.34 5.10 -0.02 3.92 2.01 -1.26 -3.08 115.64 123.64 1r8p s THR 50 Ca 0.02 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1r8p s THR 50 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1r8p s THR 50 CO -0.11 -0.26 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.77 1r8p s LEU 51 N -3.46 1.62 -0.19 4.42 1.02 -0.77 -2.69 118.68 118.63 1r8p s LEU 51 Ca 0.42 -0.09 -0.13 0.00 0.02 0.00 0.00 54.13 54.34 1r8p s LEU 51 Cb -0.11 -0.31 -0.05 0.00 0.02 0.00 0.00 46.19 45.75 1r8p s LEU 51 CO 0.29 -0.01 0.28 0.42 0.02 0.00 0.00 176.35 177.36 1r8p s THR 52 N 0.43 5.30 0.06 5.49 -4.23 -1.19 -1.38 115.64 120.12 1r8p s THR 52 Ca -0.05 0.48 0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1r8p s THR 52 Cb -0.08 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1r8p s THR 52 CO -0.00 0.34 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.09 1r8p s TYR 53 N 0.85 2.98 -0.99 3.99 1.51 -0.94 -0.29 117.35 124.45 1r8p s TYR 53 Ca 0.14 -0.01 0.26 0.00 -1.01 0.00 0.00 57.07 56.45 1r8p s TYR 53 Cb -0.13 -1.57 0.63 0.00 -0.11 0.00 0.00 41.96 40.77 1r8p s TYR 53 CO 0.05 0.46 1.50 -0.25 -1.11 0.00 0.00 175.55 176.20 1r8p n ASP 54 N 0.92 0.42 -3.67 2.29 8.00 -1.26 -3.25 116.55 120.00 1r8p n ASP 54 Ca -0.12 -0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.17 1r8p n ASP 54 Cb 0.52 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.65 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 -3.02 -0.72 0.33 -2.24 0.15 -1.26 -4.81 113.70 102.13 1r8p s SER 55 Ca 0.11 1.22 0.06 0.00 0.70 0.00 0.00 55.95 58.05 1r8p s SER 55 Cb 0.18 1.13 0.72 0.00 -1.71 0.00 0.00 66.02 66.33 1r8p s SER 55 CO 0.67 -0.21 1.86 -0.33 1.20 0.00 0.00 173.24 176.43 1r8p h GLU 56 N 6.61 0.78 -0.07 5.44 4.39 -1.92 -1.95 114.58 127.86 1r8p h GLU 56 Ca -0.32 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.37 1r8p h GLU 56 Cb 1.20 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 1r8p h GLU 56 CO 0.20 0.52 -0.24 2.35 -1.16 0.00 0.00 179.01 180.68 1r8p h TRP 57 N 0.81 -0.63 -0.21 4.33 2.91 -2.01 -0.02 115.95 121.12 1r8p h TRP 57 Ca 0.46 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.57 1r8p h TRP 57 Cb 0.61 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1r8p h TRP 57 CO -0.00 -0.32 0.19 0.37 -1.03 0.00 0.00 178.44 177.65 1r8p h GLN 58 N -0.33 0.00 -0.06 2.65 4.15 -1.76 -2.00 115.11 117.77 1r8p h GLN 58 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1r8p h GLN 58 Cb 0.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1r8p h GLN 58 CO -0.26 0.00 0.02 -0.09 -1.93 0.00 0.00 178.83 176.57 1r8p h ARG 59 N 0.00 0.06 -0.29 1.69 2.43 -0.80 -2.36 114.38 115.12 1r8p h ARG 59 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1r8p h ARG 59 Cb 0.49 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1r8p h ARG 59 CO -0.00 0.04 0.11 0.22 -1.51 0.00 0.00 179.97 178.83 1r8p h ASP 60 N 0.06 0.35 -0.03 -3.80 3.58 -1.27 -2.69 116.42 112.62 1r8p h ASP 60 Ca 0.02 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1r8p h ASP 60 Cb 0.01 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1r8p h ASP 60 CO -0.02 0.33 0.00 1.56 -2.88 0.00 0.00 179.24 178.23 1r8p h GLN 61 N 0.40 0.05 -0.90 0.28 4.20 -1.37 -2.86 115.11 114.91 1r8p h GLN 61 Ca 0.10 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.89 1r8p h GLN 61 Cb 0.08 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1r8p h GLN 61 CO -0.01 0.29 0.54 0.35 -0.67 0.00 0.00 178.83 179.33 1r8p h PHE 62 N -0.21 0.98 -0.01 2.96 3.04 -1.21 0.17 116.94 122.67 1r8p h PHE 62 Ca 0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1r8p h PHE 62 Cb 0.27 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1r8p h PHE 62 CO 0.01 0.42 0.01 -0.07 -2.02 0.00 0.00 178.31 176.67 1r8p h LEU 63 N 0.90 0.00 0.00 0.59 3.38 -1.27 0.19 115.31 119.10 1r8p h LEU 63 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1r8p h LEU 63 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r8p h LEU 63 CO -0.24 0.00 -1.12 -1.54 0.09 0.00 0.00 178.44 175.63 1r8p n SER 64 N -3.75 0.69 0.02 -0.43 3.41 0.50 -4.03 113.62 110.04 1r8p n SER 64 Ca -0.03 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1r8p n SER 64 Cb 0.10 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.50 0.47 -3.39 4.33 1.13 -0.34 -4.74 117.38 112.34 1r8p n GLN 65 Ca -0.00 -0.07 -0.45 0.00 -1.94 0.00 0.00 57.00 54.54 1r8p n GLN 65 Cb 0.53 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 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 -3.34 4.99 -0.44 5.09 1.01 0.52 -5.01 120.40 123.22 1r8p s VAL 66 Ca -0.02 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 1r8p s VAL 66 Cb 0.14 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1r8p s VAL 66 CO 0.86 -0.88 2.35 1.17 0.00 0.00 0.00 175.10 178.60 1r8p n LYS 67 N 4.82 1.21 -3.27 2.72 0.00 -1.26 -4.87 118.16 117.50 1r8p n LYS 67 Ca -0.06 0.19 -0.39 0.00 0.00 0.00 0.00 58.31 58.06 1r8p n LYS 67 Cb 0.42 -3.05 -0.06 0.00 0.00 0.00 0.00 35.03 32.34 1r8p n LYS 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1r8p s ILE 68 N 10.05 4.91 0.00 3.15 1.01 -1.26 -5.07 121.20 133.98 1r8p s ILE 68 Ca 1.04 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.85 1r8p s ILE 68 Cb -0.43 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1r8p s ILE 68 CO 0.35 0.47 0.00 -0.81 0.00 0.00 0.00 174.94 174.94 1r8p n PRO 69 N 2.44 1.25 -1.68 2.79 -0.04 -1.26 -4.93 135.00 133.57 1r8p n PRO 69 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1r8p n PRO 69 Cb 0.51 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.03 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 2.76 0.00 0.54 5.02 -1.26 -4.32 118.16 120.90 1r8p n LYS 70 Ca 0.00 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 1r8p n LYS 70 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1r8p n LYS 70 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r8p n THR 71 N -0.71 0.00 -3.25 -0.18 -2.24 -1.26 -5.07 114.28 101.56 1r8p n THR 71 Ca 0.57 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.94 1r8p n THR 71 Cb 0.45 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 1r8p n THR 71 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r8p s ILE 72 N 0.00 5.02 0.04 2.28 1.09 -1.26 -4.60 121.20 123.77 1r8p s ILE 72 Ca 0.00 0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.66 1r8p s ILE 72 Cb 0.00 -3.99 -0.05 0.00 -1.06 0.00 0.00 42.46 37.36 1r8p s ILE 72 CO 0.00 -0.28 0.34 -0.89 -0.10 0.00 0.00 174.94 174.02 1r8p s THR 73 N 2.37 5.18 0.56 2.92 2.01 -1.22 -4.92 115.64 122.54 1r8p s THR 73 Ca 0.18 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1r8p s THR 73 Cb -0.16 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1r8p s THR 73 CO 0.14 0.35 0.82 -0.69 -0.69 0.00 0.00 174.62 174.55 1r8p s VAL 74 N -1.32 3.23 0.14 3.82 1.01 -1.26 -3.77 120.40 122.25 1r8p s VAL 74 Ca 0.30 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1r8p s VAL 74 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1r8p s VAL 74 CO 0.17 -0.21 0.18 -0.44 0.00 0.00 0.00 175.10 174.79 1r8p s SER 75 N -4.35 0.17 0.09 3.32 0.01 -0.97 -4.92 113.70 107.05 1r8p s SER 75 Ca 0.54 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1r8p s SER 75 Cb -0.10 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1r8p s SER 75 CO 0.41 -0.80 -0.09 0.42 0.41 0.00 0.00 173.24 173.59 1r8p s THR 76 N -3.98 0.85 0.00 1.44 -4.23 -1.26 -3.51 115.64 104.95 1r8p s THR 76 Ca 0.18 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1r8p s THR 76 Cb 0.05 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1r8p s THR 76 CO -0.01 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 1r8p n GLY 77 N 0.46 1.73 3.83 3.99 0.00 -1.21 -4.91 105.19 109.07 1r8p n GLY 77 Ca -0.15 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.86 3.73 0.32 1.61 0.08 -1.26 -1.95 117.98 119.65 1r8p s PHE 78 Ca 0.00 1.03 0.05 0.00 0.12 0.00 0.00 56.93 58.13 1r8p s PHE 78 Cb 0.00 -2.32 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 1r8p s PHE 78 CO 0.00 0.62 0.02 0.00 -0.10 0.00 0.00 175.22 175.76 1r8p s MET 79 N -1.18 1.64 -0.23 0.44 0.23 -1.20 -4.96 119.30 114.04 1r8p s MET 79 Ca 0.26 -1.89 -0.03 0.00 -1.03 0.00 0.00 55.69 53.00 1r8p s MET 79 Cb -0.17 -1.00 0.12 0.00 -1.53 0.00 0.00 34.83 32.26 1r8p s MET 79 CO 0.15 -0.12 0.32 -1.12 -2.03 0.00 0.00 175.02 172.22 1r8p s SER 80 N -3.49 0.75 0.00 -1.18 0.01 -1.26 -3.72 113.70 104.80 1r8p s SER 80 Ca 0.34 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1r8p s SER 80 Cb 0.08 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.12 1r8p s SER 80 CO 0.15 -0.32 0.00 -0.38 0.41 0.00 0.00 173.24 173.10