#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq h ALA 2 N 0.00 0.57 -3.64 -5.12 0.00 -1.98 -3.40 119.26 105.69 2rpq h ALA 2 Ca 0.00 -0.27 -0.68 0.00 0.00 0.00 0.00 54.91 53.97 2rpq h ALA 2 Cb 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 17.29 2rpq h ALA 2 CO 0.00 0.36 -0.74 0.34 0.00 0.00 0.00 179.25 179.21 2rpq s ASP 3 N -6.25 4.73 0.10 0.00 2.15 -1.26 -5.07 116.67 111.07 2rpq s ASP 3 Ca -0.13 -1.37 -0.18 0.00 0.43 0.00 0.00 52.55 51.30 2rpq s ASP 3 Cb 0.10 -1.65 0.04 0.00 -0.30 0.00 0.00 42.92 41.11 2rpq s ASP 3 CO 0.80 -0.25 0.43 -1.83 -0.17 0.00 0.00 175.17 174.15 2rpq s GLU 4 N 1.18 1.04 -0.19 4.34 -1.05 -1.26 -4.96 118.70 117.81 2rpq s GLU 4 Ca -0.06 -0.56 -0.17 0.00 -0.15 0.00 0.00 54.97 54.04 2rpq s GLU 4 Cb -0.20 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 2rpq s GLU 4 CO -0.03 -0.40 0.43 0.15 0.95 0.00 0.00 175.26 176.36 2rpq s LYS 5 N -3.33 4.21 0.18 -4.83 1.02 -1.26 -5.06 119.74 110.67 2rpq s LYS 5 Ca -0.00 0.27 -0.33 0.00 0.02 0.00 0.00 55.97 55.93 2rpq s LYS 5 Cb 0.01 -3.52 -0.15 0.00 -0.52 0.00 0.00 37.83 33.64 2rpq s LYS 5 CO -0.09 -0.01 1.22 -2.30 -0.92 0.00 0.00 175.35 173.25 2rpq n PRO 6 N 4.36 1.32 0.10 -1.68 -0.02 -1.26 -4.94 135.00 132.87 2rpq n PRO 6 Ca -0.08 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 2rpq n PRO 6 Cb 0.51 -2.00 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2rpq n PRO 6 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2rpq h LYS 7 N 3.60 0.41 -2.14 -0.52 1.57 -1.98 -3.49 116.57 114.02 2rpq h LYS 7 Ca -0.44 -0.60 -0.36 0.00 -1.87 0.00 0.00 60.65 57.38 2rpq h LYS 7 Cb 1.33 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 2rpq h LYS 7 CO 0.72 1.26 -0.43 0.39 -0.57 0.00 0.00 179.45 180.81 2rpq n GLU 8 N -3.66 -1.39 -0.97 3.15 1.02 -1.26 -2.56 120.64 114.97 2rpq n GLU 8 Ca -0.10 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 2rpq n GLU 8 Cb 0.99 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 2rpq n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpq n GLY 9 N -0.95 0.79 0.37 0.62 0.00 -1.26 -4.83 105.19 99.92 2rpq n GLY 9 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 2rpq n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rpq n VAL 10 N -2.25 1.49 -1.22 1.61 0.24 -1.06 -5.09 118.33 112.05 2rpq n VAL 10 Ca 0.00 -2.00 -0.39 0.00 -2.04 0.00 0.00 64.34 59.90 2rpq n VAL 10 Cb 0.01 -0.02 -0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2rpq n VAL 10 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2rpq n LYS 11 N -0.98 0.00 -1.50 7.34 0.00 -1.20 -4.97 118.16 116.86 2rpq n LYS 11 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.14 2rpq n LYS 11 Cb 0.70 -0.93 0.09 0.00 -0.00 0.00 0.00 35.03 34.89 2rpq n LYS 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2rpq s THR 12 N -1.53 3.19 0.00 0.58 -4.23 -1.26 -5.01 115.64 107.38 2rpq s THR 12 Ca 0.56 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2rpq s THR 12 Cb -0.61 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2rpq s THR 12 CO 0.58 -0.50 0.00 -1.84 -0.54 0.00 0.00 174.62 172.32 2rpq n GLU 13 N -3.44 0.00 -4.80 3.99 0.28 -1.26 -5.10 120.64 110.31 2rpq n GLU 13 Ca 0.07 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.74 2rpq n GLU 13 Cb 0.55 -0.12 -0.12 0.00 1.43 0.00 0.00 31.44 33.18 2rpq n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2rpq s ASN 14 N 0.00 4.24 -0.10 -1.84 0.01 -1.26 -5.12 114.94 110.87 2rpq s ASN 14 Ca 0.00 -0.14 -0.03 0.00 -0.71 0.00 0.00 52.86 51.98 2rpq s ASN 14 Cb 0.00 -0.99 -0.03 0.00 0.41 0.00 0.00 41.25 40.64 2rpq s ASN 14 CO 0.00 0.34 0.01 0.20 -1.51 0.00 0.00 177.10 176.14 2rpq s ASN 15 N -0.71 5.25 0.34 -1.22 0.01 -1.26 -5.09 114.94 112.27 2rpq s ASN 15 Ca 0.11 0.12 -0.18 0.00 -0.71 0.00 0.00 52.86 52.20 2rpq s ASN 15 Cb -0.11 -1.56 0.04 0.00 0.41 0.00 0.00 41.25 40.04 2rpq s ASN 15 CO 0.01 0.34 0.77 1.51 -1.51 0.00 0.00 177.10 178.22 2rpq s ASP 16 N -0.67 -0.09 1.01 -1.22 -4.77 -1.26 -5.06 116.67 104.61 2rpq s ASP 16 Ca 0.11 -0.94 -0.12 0.00 -3.30 0.00 0.00 52.55 48.30 2rpq s ASP 16 Cb -0.12 0.80 0.18 0.00 -1.09 0.00 0.00 42.92 42.69 2rpq s ASP 16 CO 0.02 -1.55 0.97 0.00 0.70 0.00 0.00 175.17 175.31 2rpq n HIS 17 N -0.51 -0.15 -4.11 2.11 1.44 -1.26 -4.21 115.22 108.53 2rpq n HIS 17 Ca -0.07 0.20 -0.08 0.00 -2.01 0.00 0.00 57.72 55.76 2rpq n HIS 17 Cb 0.60 -1.86 -0.10 0.00 0.12 0.00 0.00 29.99 28.74 2rpq n HIS 17 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2rpq s ILE 18 N -2.52 0.27 0.02 0.61 -4.36 0.47 -4.92 121.20 110.77 2rpq s ILE 18 Ca 0.66 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 59.25 2rpq s ILE 18 Cb -0.23 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2rpq s ILE 18 CO 0.62 -0.91 -0.09 0.20 0.24 0.00 0.00 174.94 175.00 2rpq s ASN 19 N -2.96 4.47 0.05 4.36 0.01 -0.39 -0.26 114.94 120.22 2rpq s ASN 19 Ca 0.10 -0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2rpq s ASN 19 Cb 0.08 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 2rpq s ASN 19 CO -0.08 0.27 -0.04 -1.48 -1.51 0.00 0.00 177.10 174.26 2rpq s LEU 20 N -1.49 2.41 0.11 0.60 2.34 -0.29 -1.77 118.68 120.59 2rpq s LEU 20 Ca 0.17 -0.84 0.08 0.00 0.06 0.00 0.00 54.13 53.60 2rpq s LEU 20 Cb -0.11 0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.60 2rpq s LEU 20 CO 0.08 -0.48 -0.20 -1.59 -1.06 0.00 0.00 176.35 173.10 2rpq s LYS 21 N -3.10 1.13 -0.15 1.48 -2.85 0.38 -0.28 119.74 116.34 2rpq s LYS 21 Ca 0.00 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 53.80 2rpq s LYS 21 Cb 0.02 -1.35 0.00 0.00 -2.06 0.00 0.00 37.83 34.44 2rpq s LYS 21 CO -0.06 0.31 -0.17 0.08 0.10 0.00 0.00 175.35 175.60 2rpq s VAL 22 N -1.28 2.46 -0.08 1.79 1.01 0.03 -0.31 120.40 124.01 2rpq s VAL 22 Ca 0.07 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2rpq s VAL 22 Cb -0.09 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2rpq s VAL 22 CO 0.04 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 2rpq s ALA 23 N 0.86 1.66 0.78 5.51 0.00 -0.04 -2.10 121.76 128.43 2rpq s ALA 23 Ca -0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2rpq s ALA 23 Cb -0.15 -0.67 0.13 0.00 0.00 0.00 0.00 23.12 22.43 2rpq s ALA 23 CO -0.02 0.20 0.83 0.41 0.00 0.00 0.00 175.76 177.18 2rpq n GLY 24 N 3.66 -0.12 0.14 0.00 0.00 -0.92 -1.77 105.19 106.18 2rpq n GLY 24 Ca -0.21 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.05 2rpq n GLY 24 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2rpq h GLN 25 N 0.00 0.00 -0.03 1.61 4.20 -1.89 -2.89 115.11 116.10 2rpq h GLN 25 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2rpq h GLN 25 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2rpq h GLN 25 CO 0.25 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.01 2rpq n ASP 26 N -2.40 1.66 0.00 1.46 5.75 -1.26 -4.91 116.55 116.85 2rpq n ASP 26 Ca 0.04 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 2rpq n ASP 26 Cb 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rpq n GLY 27 N 1.19 0.93 3.70 6.12 0.00 -1.09 -5.02 105.19 111.02 2rpq n GLY 27 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rpq s SER 28 N -2.98 6.88 -0.02 1.61 0.01 -1.26 -4.85 113.70 113.09 2rpq s SER 28 Ca 0.00 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.44 2rpq s SER 28 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2rpq s SER 28 CO 0.00 -0.64 0.02 0.54 0.41 0.00 0.00 173.24 173.57 2rpq s VAL 29 N 1.60 -0.03 -0.02 3.43 0.11 -1.26 -2.17 120.40 122.06 2rpq s VAL 29 Ca 0.63 0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.89 2rpq s VAL 29 Cb -0.33 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2rpq s VAL 29 CO 0.29 0.08 -0.14 0.54 -3.33 0.00 0.00 175.10 172.53 2rpq s VAL 30 N 0.85 1.11 0.07 2.04 0.11 -0.89 -4.97 120.40 118.72 2rpq s VAL 30 Ca -0.07 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 2rpq s VAL 30 Cb -0.10 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2rpq s VAL 30 CO -0.02 0.32 -0.24 0.00 -3.33 0.00 0.00 175.10 171.82 2rpq s GLN 31 N -0.20 1.52 0.03 1.54 1.03 -1.26 -0.79 119.66 121.52 2rpq s GLN 31 Ca 0.03 -1.14 0.02 0.00 0.04 0.00 0.00 55.36 54.32 2rpq s GLN 31 Cb -0.07 -1.77 -0.02 0.00 0.03 0.00 0.00 33.01 31.18 2rpq s GLN 31 CO -0.00 0.44 -0.07 -0.06 -2.54 0.00 0.00 175.29 173.06 2rpq s PHE 32 N -0.91 0.64 -0.26 9.60 0.40 0.61 -4.96 117.98 123.09 2rpq s PHE 32 Ca 0.11 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2rpq s PHE 32 Cb -0.10 -0.39 0.01 0.00 0.51 0.00 0.00 43.02 43.06 2rpq s PHE 32 CO 0.03 -0.05 -0.00 0.21 0.70 0.00 0.00 175.22 176.11 2rpq s LYS 33 N -1.06 3.02 0.04 0.44 2.20 -1.26 -1.13 119.74 121.98 2rpq s LYS 33 Ca -0.05 -0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 54.57 2rpq s LYS 33 Cb -0.07 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2rpq s LYS 33 CO 0.00 -0.39 0.24 -1.50 -0.36 0.00 0.00 175.35 173.35 2rpq s ILE 34 N 1.42 0.10 0.48 5.43 2.07 0.64 -4.94 121.20 126.39 2rpq s ILE 34 Ca 0.02 -0.80 -0.07 0.00 -1.41 0.00 0.00 60.65 58.40 2rpq s ILE 34 Cb -0.16 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.48 2rpq s ILE 34 CO -0.02 -0.44 0.81 -0.54 -1.91 0.00 0.00 174.94 172.84 2rpq s LYS 35 N -2.50 3.59 0.16 3.50 3.01 -1.26 -0.40 119.74 125.85 2rpq s LYS 35 Ca -0.05 0.31 -0.07 0.00 -1.01 0.00 0.00 55.97 55.14 2rpq s LYS 35 Cb -0.01 -2.35 0.01 0.00 -1.01 0.00 0.00 37.83 34.47 2rpq s LYS 35 CO -0.03 -0.21 1.45 -0.09 0.51 0.00 0.00 175.35 176.98 2rpq h ARG 36 N 0.37 0.71 0.00 1.68 2.43 -1.94 -3.15 114.38 114.48 2rpq h ARG 36 Ca -0.47 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.25 2rpq h ARG 36 Cb 1.20 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2rpq h ARG 36 CO 0.62 1.08 -0.92 0.72 -1.51 0.00 0.00 179.97 179.96 2rpq n HIS 37 N -3.98 0.58 -1.93 2.20 8.25 -1.26 -1.54 115.22 117.53 2rpq n HIS 37 Ca -0.04 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.18 2rpq n HIS 37 Cb 0.62 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rpq s THR 38 N -3.25 2.37 0.74 1.59 2.01 -1.19 -4.91 115.64 113.00 2rpq s THR 38 Ca 0.03 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 2rpq s THR 38 Cb 0.12 -3.22 0.05 0.00 0.01 0.00 0.00 72.50 69.46 2rpq s THR 38 CO 0.77 0.07 1.15 -2.16 -0.69 0.00 0.00 174.62 173.76 2rpq s PRO 39 N -1.39 2.20 0.56 4.92 0.04 -1.26 -4.27 135.00 135.80 2rpq s PRO 39 Ca 0.55 1.51 0.28 0.00 0.04 0.00 0.00 61.00 63.37 2rpq s PRO 39 Cb -0.44 -1.87 1.67 0.00 0.04 0.00 0.00 34.50 33.90 2rpq s PRO 39 CO 0.54 -1.74 2.19 1.37 0.04 0.00 0.00 177.00 179.40 2rpq h LEU 40 N -0.57 0.00 -1.99 -3.56 8.10 -1.19 -2.41 115.31 113.70 2rpq h LEU 40 Ca -0.46 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.72 2rpq h LEU 40 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 2rpq h LEU 40 CO 0.50 0.04 0.52 0.77 -4.11 0.00 0.00 178.44 176.16 2rpq h SER 41 N 0.00 0.00 -0.34 0.17 4.64 -1.78 -2.77 113.55 113.48 2rpq h SER 41 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2rpq h SER 41 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2rpq h SER 41 CO 0.01 0.00 -0.20 0.50 -0.87 0.00 0.00 176.83 176.27 2rpq h LYS 42 N 0.00 0.73 -0.34 4.77 1.63 -1.76 0.11 116.57 121.71 2rpq h LYS 42 Ca 0.32 -0.33 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 2rpq h LYS 42 Cb 1.35 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 2rpq h LYS 42 CO -0.00 0.94 -0.14 1.37 -3.45 0.00 0.00 179.45 178.17 2rpq h LEU 43 N 0.50 0.58 -0.76 5.20 -0.00 -1.74 -1.69 115.31 117.40 2rpq h LEU 43 Ca 0.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2rpq h LEU 43 Cb 0.75 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 2rpq h LEU 43 CO 0.06 0.74 0.43 -0.03 -0.00 0.00 0.00 178.44 179.64 2rpq h MET 44 N 0.54 1.05 -0.62 0.17 4.05 -1.17 0.17 114.93 119.13 2rpq h MET 44 Ca 0.09 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2rpq h MET 44 Cb 0.55 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2rpq h MET 44 CO 0.03 0.77 0.32 -0.22 0.23 0.00 0.00 176.91 178.05 2rpq h LYS 45 N 1.05 0.87 -0.39 0.39 3.11 -0.67 -2.60 116.57 118.32 2rpq h LYS 45 Ca 0.27 -0.11 -0.07 0.00 -2.81 0.00 0.00 60.65 57.92 2rpq h LYS 45 Cb 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.06 2rpq h LYS 45 CO -0.04 0.68 -0.05 0.00 -2.81 0.00 0.00 179.45 177.23 2rpq h ALA 46 N 1.14 1.19 -0.67 5.00 0.00 -0.98 -2.20 119.26 122.74 2rpq h ALA 46 Ca 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2rpq h ALA 46 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2rpq h ALA 46 CO -0.03 0.53 0.44 -0.92 0.00 0.00 0.00 179.25 179.26 2rpq h TYR 47 N 0.60 0.83 -0.65 0.00 3.20 -0.48 0.14 116.97 120.62 2rpq h TYR 47 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2rpq h TYR 47 Cb 0.46 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2rpq h TYR 47 CO 0.02 0.52 0.41 0.00 -1.64 0.00 0.00 178.16 177.47 2rpq h GLU 49 N 0.88 -0.14 -0.07 0.00 5.08 -0.99 -2.25 114.58 117.09 2rpq h GLU 49 Ca 0.24 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2rpq h GLU 49 Cb -0.07 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2rpq h GLU 49 CO -0.05 0.19 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.38 2rpq h ARG 50 N -0.48 0.59 -0.02 2.33 1.12 -0.74 -3.36 114.38 113.82 2rpq h ARG 50 Ca -0.01 -0.54 0.00 0.00 -1.11 0.00 0.00 59.98 58.31 2rpq h ARG 50 Cb 0.39 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2rpq h ARG 50 CO 0.02 1.16 0.00 1.04 -3.11 0.00 0.00 179.97 179.09 2rpq n GLN 51 N -4.10 0.40 -2.67 0.20 1.13 -0.30 -5.03 117.38 107.02 2rpq n GLN 51 Ca -0.09 -1.09 -0.05 0.00 -1.94 0.00 0.00 57.00 53.83 2rpq n GLN 51 Cb 0.70 -1.18 0.02 0.00 0.11 0.00 0.00 30.24 29.89 2rpq n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rpq n GLY 52 N 0.51 0.59 3.56 1.08 0.00 -0.85 -4.98 105.19 105.10 2rpq n GLY 52 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2rpq n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rpq s LEU 53 N -2.42 2.71 -0.16 0.99 1.43 -1.20 -5.04 118.68 114.99 2rpq s LEU 53 Ca 0.11 -1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 2rpq s LEU 53 Cb -0.05 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 2rpq s LEU 53 CO 0.15 -0.39 0.09 -0.55 0.23 0.00 0.00 176.35 175.89 2rpq s SER 54 N -3.63 5.91 0.51 2.29 0.15 -1.26 -4.43 113.70 113.24 2rpq s SER 54 Ca 0.34 0.21 0.34 0.00 0.70 0.00 0.00 55.95 57.54 2rpq s SER 54 Cb 0.07 -1.97 1.56 0.00 -1.71 0.00 0.00 66.02 63.97 2rpq s SER 54 CO 0.17 0.25 2.01 0.00 1.20 0.00 0.00 173.24 176.86 2rpq h MET 55 N 6.18 0.00 -0.12 5.44 -0.00 -1.91 -1.14 114.93 123.38 2rpq h MET 55 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.27 2rpq h MET 55 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2rpq h MET 55 CO 0.68 0.00 0.00 2.89 -0.00 0.00 0.00 176.91 180.48 2rpq n ARG 56 N -2.86 2.15 -0.05 -0.10 1.85 -1.26 -4.34 116.66 112.05 2rpq n ARG 56 Ca -0.00 -1.70 -0.05 0.00 -1.00 0.00 0.00 57.85 55.10 2rpq n ARG 56 Cb 0.21 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 30.07 2rpq n ARG 56 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2rpq n GLN 57 N 1.01 2.09 -4.92 2.89 1.13 -0.53 -4.76 117.38 114.28 2rpq n GLN 57 Ca 0.16 0.01 -0.33 0.00 -1.94 0.00 0.00 57.00 54.91 2rpq n GLN 57 Cb 0.52 -1.25 -0.14 0.00 0.11 0.00 0.00 30.24 29.47 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2rpq s ILE 58 N -2.24 2.86 0.10 5.09 -5.25 -0.64 -0.45 121.20 120.68 2rpq s ILE 58 Ca -0.07 -0.77 0.04 0.00 -0.99 0.00 0.00 60.65 58.86 2rpq s ILE 58 Cb 0.03 -2.14 -0.04 0.00 2.95 0.00 0.00 42.46 43.27 2rpq s ILE 58 CO 0.38 0.56 -0.10 -0.13 -1.79 0.00 0.00 174.94 173.86 2rpq s ARG 59 N -0.21 0.85 0.05 0.37 1.81 -0.16 -4.59 118.95 117.07 2rpq s ARG 59 Ca -0.00 -1.14 0.01 0.00 -1.72 0.00 0.00 55.73 52.88 2rpq s ARG 59 Cb -0.13 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.76 2rpq s ARG 59 CO 0.03 0.09 0.10 -0.06 -0.68 0.00 0.00 175.30 174.79 2rpq s PHE 60 N -2.35 3.28 -0.05 -0.53 0.08 -1.26 -0.72 117.98 116.43 2rpq s PHE 60 Ca 0.05 0.15 -0.10 0.00 0.12 0.00 0.00 56.93 57.14 2rpq s PHE 60 Cb -0.03 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2rpq s PHE 60 CO 0.00 0.54 0.25 0.50 -0.10 0.00 0.00 175.22 176.41 2rpq s ARG 61 N -2.22 0.45 -0.21 0.44 3.52 0.20 -3.70 118.95 117.43 2rpq s ARG 61 Ca 0.28 0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.91 2rpq s ARG 61 Cb -0.12 0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.53 2rpq s ARG 61 CO 0.21 -0.10 -0.01 0.12 -0.81 0.00 0.00 175.30 174.71 2rpq s PHE 62 N -0.63 1.73 -1.39 5.12 5.36 0.21 -1.23 117.98 127.15 2rpq s PHE 62 Ca -0.07 -1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 54.55 2rpq s PHE 62 Cb -0.04 -1.31 0.03 0.00 -0.34 0.00 0.00 43.02 41.36 2rpq s PHE 62 CO 0.02 -0.69 0.73 -0.25 -1.46 0.00 0.00 175.22 173.56 2rpq n ASP 63 N 4.86 -2.00 0.00 6.13 8.00 -1.26 -1.41 116.55 130.86 2rpq n ASP 63 Ca -0.11 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.55 2rpq n ASP 63 Cb 0.46 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rpq n GLY 64 N -1.67 0.68 3.38 0.44 0.00 -1.26 -5.01 105.19 101.74 2rpq n GLY 64 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2rpq n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rpq s GLN 65 N -0.15 3.16 0.20 1.61 -1.52 -0.50 -5.10 119.66 117.35 2rpq s GLN 65 Ca 0.00 -0.70 -0.32 0.00 -1.95 0.00 0.00 55.36 52.39 2rpq s GLN 65 Cb 0.00 -2.55 -0.15 0.00 -0.22 0.00 0.00 33.01 30.09 2rpq s GLN 65 CO 0.00 0.30 1.18 -2.30 -0.25 0.00 0.00 175.29 174.22 2rpq n PRO 66 N 3.25 1.32 -5.03 2.91 -0.02 -1.26 -0.62 135.00 135.56 2rpq n PRO 66 Ca -0.18 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2rpq n PRO 66 Cb 0.53 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.88 2rpq n PRO 66 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2rpq s ILE 67 N -0.29 2.17 0.21 4.25 -4.36 -1.24 -4.83 121.20 117.11 2rpq s ILE 67 Ca 0.70 -1.27 0.04 0.00 -0.26 0.00 0.00 60.65 59.86 2rpq s ILE 67 Cb -0.80 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 2rpq s ILE 67 CO 0.53 0.44 0.33 0.20 0.24 0.00 0.00 174.94 176.68 2rpq s ASN 68 N -1.03 6.31 0.48 4.36 0.01 -1.26 -4.80 114.94 119.01 2rpq s ASN 68 Ca 0.11 0.10 0.23 0.00 -0.71 0.00 0.00 52.86 52.59 2rpq s ASN 68 Cb -0.10 -1.87 1.21 0.00 0.41 0.00 0.00 41.25 40.91 2rpq s ASN 68 CO 0.01 -0.03 1.99 -0.33 -1.51 0.00 0.00 177.10 177.23 2rpq h GLU 69 N 1.51 0.00 0.00 -0.60 5.08 -1.99 -0.26 114.58 118.33 2rpq h GLU 69 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2rpq h GLU 69 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2rpq h GLU 69 CO 0.64 0.18 0.00 2.41 -1.00 0.00 0.00 179.01 181.24 2rpq n THR 70 N -3.74 0.42 -1.53 1.13 -1.04 -1.26 -2.98 114.28 105.28 2rpq n THR 70 Ca -0.02 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 2rpq n THR 70 Cb 0.29 -0.63 0.16 0.00 -1.82 0.00 0.00 70.33 68.34 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -3.82 3.01 0.11 8.00 1.01 -0.11 -4.85 116.67 120.01 2rpq s ASP 71 Ca 0.11 0.79 -0.10 0.00 0.71 0.00 0.00 52.55 54.06 2rpq s ASP 71 Cb 0.14 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.86 2rpq s ASP 71 CO 0.53 -2.85 0.24 0.42 0.21 0.00 0.00 175.17 173.72 2rpq s THR 72 N -3.34 0.12 0.37 -1.27 -4.23 -1.26 -1.00 115.64 105.03 2rpq s THR 72 Ca 0.67 -1.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.15 2rpq s THR 72 Cb -0.12 -1.39 0.31 0.00 1.34 0.00 0.00 72.50 72.64 2rpq s THR 72 CO 0.54 -0.55 1.92 -0.65 -0.54 0.00 0.00 174.62 175.35 2rpq h PRO 73 N 2.66 0.65 -0.29 3.99 0.11 -1.74 -2.15 132.00 135.23 2rpq h PRO 73 Ca -0.34 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 2rpq h PRO 73 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2rpq h PRO 73 CO 0.53 0.43 0.03 0.00 -0.21 0.00 0.00 178.00 178.79 2rpq h ALA 74 N 1.61 0.38 -0.18 -0.75 0.00 -1.62 -0.08 119.26 118.62 2rpq h ALA 74 Ca 0.36 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2rpq h ALA 74 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rpq h ALA 74 CO -0.14 0.08 -0.40 1.96 0.00 0.00 0.00 179.25 180.75 2rpq h GLN 75 N 0.29 0.60 -0.01 0.00 4.20 -1.84 -3.21 115.11 115.14 2rpq h GLN 75 Ca 0.09 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2rpq h GLN 75 Cb 0.36 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2rpq h GLN 75 CO 0.01 1.01 -0.25 -0.11 -0.67 0.00 0.00 178.83 178.82 2rpq n LEU 76 N -4.25 1.14 -3.46 1.46 -0.00 -0.81 -4.97 117.00 106.11 2rpq n LEU 76 Ca -0.06 -0.32 -0.18 0.00 -0.00 0.00 0.00 56.01 55.45 2rpq n LEU 76 Cb 0.54 -0.10 0.09 0.00 -0.00 0.00 0.00 43.42 43.94 2rpq n LEU 76 CO 0.45 0.21 0.13 -0.62 -0.00 0.00 0.00 177.39 177.57 2rpq n GLU 77 N -0.53 -6.85 -2.12 1.96 1.02 -0.16 -4.93 120.64 109.03 2rpq n GLU 77 Ca 0.13 0.85 -0.33 0.00 -0.02 0.00 0.00 57.16 57.78 2rpq n GLU 77 Cb 0.36 -5.87 0.01 0.00 -0.02 0.00 0.00 31.44 25.91 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2rpq s MET 78 N -5.52 3.35 0.52 3.49 -1.94 -0.49 -5.03 119.30 113.68 2rpq s MET 78 Ca 0.10 1.28 0.02 0.00 -1.71 0.00 0.00 55.69 55.37 2rpq s MET 78 Cb -0.04 -2.03 -0.00 0.00 2.01 0.00 0.00 34.83 34.76 2rpq s MET 78 CO 0.73 -0.79 0.08 -1.83 -0.01 0.00 0.00 175.02 173.19 2rpq s GLU 79 N -3.88 2.21 0.58 2.03 -1.05 -1.26 -4.87 118.70 112.46 2rpq s GLU 79 Ca 0.65 -2.34 0.29 0.00 -0.15 0.00 0.00 54.97 53.41 2rpq s GLU 79 Cb -0.17 -1.63 1.49 0.00 -0.44 0.00 0.00 34.13 33.38 2rpq s GLU 79 CO 0.34 -0.42 1.93 0.38 0.95 0.00 0.00 175.26 178.44 2rpq h ASP 80 N 1.23 0.00 -2.04 0.83 2.03 -1.92 -2.77 116.42 113.79 2rpq h ASP 80 Ca -0.43 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.33 2rpq h ASP 80 Cb 1.32 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.42 2rpq h ASP 80 CO 0.71 0.00 -1.05 -0.62 -1.03 0.00 0.00 179.24 177.25 2rpq n GLU 81 N -3.82 1.14 -2.01 4.15 1.02 -1.02 -1.26 120.64 118.84 2rpq n GLU 81 Ca 0.08 -3.53 -0.29 0.00 -0.02 0.00 0.00 57.16 53.41 2rpq n GLU 81 Cb 0.65 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.59 2rpq n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2rpq s ASP 82 N -1.85 5.03 -0.10 1.62 -1.08 -0.73 -4.90 116.67 114.68 2rpq s ASP 82 Ca 0.38 0.84 0.01 0.00 -0.52 0.00 0.00 52.55 53.26 2rpq s ASP 82 Cb 0.23 -1.54 0.02 0.00 -1.46 0.00 0.00 42.92 40.17 2rpq s ASP 82 CO -0.09 -1.54 -0.12 -0.89 0.52 0.00 0.00 175.17 173.05 2rpq s THR 83 N -3.37 1.24 -0.04 1.71 2.01 -1.26 -0.47 115.64 115.47 2rpq s THR 83 Ca 0.59 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2rpq s THR 83 Cb -0.11 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2rpq s THR 83 CO 0.49 0.39 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.03 2rpq s ILE 84 N 1.09 3.04 -0.04 1.82 1.01 0.57 -4.87 121.20 123.81 2rpq s ILE 84 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2rpq s ILE 84 Cb -0.14 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2rpq s ILE 84 CO -0.02 0.55 -0.07 -0.62 0.00 0.00 0.00 174.94 174.78 2rpq s ASP 85 N -0.84 4.59 -0.14 3.58 2.15 -0.36 -0.86 116.67 124.78 2rpq s ASP 85 Ca 0.12 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.99 2rpq s ASP 85 Cb -0.11 -1.11 -0.03 0.00 -0.30 0.00 0.00 42.92 41.38 2rpq s ASP 85 CO 0.01 0.33 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.63 2rpq s VAL 86 N -0.87 3.99 -0.07 1.11 1.01 -0.73 -0.63 120.40 124.22 2rpq s VAL 86 Ca 0.14 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2rpq s VAL 86 Cb -0.11 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2rpq s VAL 86 CO 0.03 0.51 -0.22 0.12 0.00 0.00 0.00 175.10 175.54 2rpq s PHE 87 N 0.16 2.52 0.08 5.22 5.36 0.10 -4.59 117.98 126.84 2rpq s PHE 87 Ca -0.01 -0.64 -0.19 0.00 -0.96 0.00 0.00 56.93 55.13 2rpq s PHE 87 Cb -0.14 -1.63 -0.07 0.00 -0.34 0.00 0.00 43.02 40.84 2rpq s PHE 87 CO 0.03 -0.16 0.58 1.14 -1.46 0.00 0.00 175.22 175.34 2rpq s GLN 88 N -0.18 4.19 0.00 10.12 -2.07 -1.26 -0.99 119.66 129.47 2rpq s GLN 88 Ca -0.02 0.73 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 2rpq s GLN 88 Cb -0.14 -3.21 0.00 0.00 -1.09 0.00 0.00 33.01 28.58 2rpq s GLN 88 CO 0.03 0.62 0.67 1.04 -1.32 0.00 0.00 175.29 176.34 2rpq n GLN 89 N 1.62 0.55 -0.19 9.60 1.13 0.41 -4.83 117.38 125.67 2rpq n GLN 89 Ca -0.10 -0.86 -0.03 0.00 -1.94 0.00 0.00 57.00 54.08 2rpq n GLN 89 Cb 0.51 -0.97 0.07 0.00 0.11 0.00 0.00 30.24 29.96 2rpq n GLN 89 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2rpq h GLN 90 N 0.00 0.54 -0.02 -1.09 4.15 -1.83 -2.83 115.11 114.03 2rpq h GLN 90 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2rpq h GLN 90 Cb 0.23 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2rpq h GLN 90 CO 0.00 0.36 -0.37 0.25 -1.93 0.00 0.00 178.83 177.14 2rpq n THR 91 N -4.86 0.00 -1.54 2.39 -2.24 -1.26 -5.08 114.28 101.69 2rpq n THR 91 Ca 0.06 -0.30 0.15 0.00 -2.27 0.00 0.00 64.05 61.70 2rpq n THR 91 Cb 0.16 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpq n GLY 92 N 1.40 -1.89 0.00 3.38 0.00 -1.07 -5.27 105.19 101.74 2rpq n GLY 92 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93