#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 0.54 -3.20 3.04 0.00 -2.12 -3.42 119.26 114.11 2rpq h ALA 2 Ca 0.00 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.07 2rpq h ALA 2 Cb 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 17.79 17.28 2rpq h ALA 2 CO 0.00 0.39 -0.80 0.34 0.00 0.00 0.00 179.25 179.18 2rpq s ASP 3 N -6.34 2.36 -0.00 0.00 2.15 -1.26 -5.04 116.67 108.55 2rpq s ASP 3 Ca -0.13 -0.39 0.22 0.00 0.43 0.00 0.00 52.55 52.68 2rpq s ASP 3 Cb 0.10 -0.89 -0.19 0.00 -0.30 0.00 0.00 42.92 41.64 2rpq s ASP 3 CO 0.81 -0.12 0.84 -0.62 -0.17 0.00 0.00 175.17 175.91 2rpq n GLU 4 N 4.91 0.18 -1.99 4.34 1.02 -1.26 -4.96 120.64 122.88 2rpq n GLU 4 Ca -0.13 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.56 2rpq n GLU 4 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2rpq n GLU 4 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2rpq s LYS 5 N -3.14 4.26 0.30 3.49 -2.85 -1.26 -4.93 119.74 115.62 2rpq s LYS 5 Ca 0.04 2.34 -0.27 0.00 -1.00 0.00 0.00 55.97 57.08 2rpq s LYS 5 Cb 0.15 -3.06 -0.09 0.00 -2.06 0.00 0.00 37.83 32.77 2rpq s LYS 5 CO 0.86 -0.37 0.99 -1.25 0.10 0.00 0.00 175.35 175.68 2rpq s PRO 6 N -1.29 4.61 0.00 1.78 0.04 -1.26 -4.95 135.00 133.93 2rpq s PRO 6 Ca 0.54 1.49 0.15 0.00 0.04 0.00 0.00 61.00 63.22 2rpq s PRO 6 Cb -0.42 -2.96 0.06 0.00 0.04 0.00 0.00 34.50 31.22 2rpq s PRO 6 CO 0.51 0.27 0.91 1.63 0.04 0.00 0.00 177.00 180.37 2rpq n LYS 7 N 0.83 1.46 -1.46 4.56 4.76 -1.26 -5.03 118.16 122.02 2rpq n LYS 7 Ca 0.01 -1.13 -0.35 0.00 -2.87 0.00 0.00 58.31 53.97 2rpq n LYS 7 Cb 0.48 -1.27 0.09 0.00 -1.84 0.00 0.00 35.03 32.50 2rpq n LYS 7 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2rpq n GLU 8 N 0.40 0.71 -2.23 1.97 -0.58 -1.26 -5.08 120.64 114.57 2rpq n GLU 8 Ca 0.08 0.31 -0.27 0.00 -0.42 0.00 0.00 57.16 56.85 2rpq n GLU 8 Cb 0.36 -2.49 0.17 0.00 -0.57 0.00 0.00 31.44 28.90 2rpq n GLU 8 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2rpq s GLY 9 N -1.69 1.79 0.37 0.62 0.00 -1.26 -5.07 107.32 102.08 2rpq s GLY 9 Ca 0.79 -1.55 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 2rpq s GLY 9 CO 0.45 -0.81 1.23 0.54 0.00 0.00 0.00 173.10 174.50 2rpq s VAL 10 N -3.62 2.95 -0.98 1.40 0.11 -1.26 -4.96 120.40 114.03 2rpq s VAL 10 Ca 0.73 0.87 0.10 0.00 -2.93 0.00 0.00 61.98 60.74 2rpq s VAL 10 Cb -0.03 -3.52 0.21 0.00 -1.53 0.00 0.00 36.38 31.51 2rpq s VAL 10 CO 0.50 0.14 1.08 0.29 -3.33 0.00 0.00 175.10 173.78 2rpq n LYS 11 N 0.39 2.00 -4.49 1.54 4.76 -1.26 -5.00 118.16 116.09 2rpq n LYS 11 Ca 0.02 -1.68 -0.31 0.00 -2.87 0.00 0.00 58.31 53.48 2rpq n LYS 11 Cb 0.44 -1.22 -0.11 0.00 -1.84 0.00 0.00 35.03 32.30 2rpq n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2rpq s THR 12 N -0.94 3.34 0.12 -0.18 -4.23 -1.26 -5.04 115.64 107.45 2rpq s THR 12 Ca 0.18 -0.97 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 2rpq s THR 12 Cb 0.10 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2rpq s THR 12 CO 0.14 0.34 1.67 -0.08 -0.54 0.00 0.00 174.62 176.14 2rpq h GLU 13 N 4.40 0.50 -3.06 3.99 4.81 -2.06 -3.45 114.58 119.71 2rpq h GLU 13 Ca -0.48 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 58.53 2rpq h GLU 13 Cb 1.16 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.25 2rpq h GLU 13 CO 0.52 0.49 -0.32 1.21 -0.73 0.00 0.00 179.01 180.18 2rpq s ASN 14 N -5.76 -0.21 0.49 1.04 3.84 -1.26 -5.15 114.94 107.93 2rpq s ASN 14 Ca -0.13 0.21 -0.23 0.00 0.21 0.00 0.00 52.86 52.92 2rpq s ASN 14 Cb 0.09 0.40 -0.07 0.00 -0.55 0.00 0.00 41.25 41.12 2rpq s ASN 14 CO 0.74 -0.34 1.29 0.21 -2.79 0.00 0.00 177.10 176.21 2rpq s ASN 15 N -0.91 5.78 -0.08 -4.21 3.84 -1.26 -4.97 114.94 113.13 2rpq s ASN 15 Ca -0.10 2.61 0.16 0.00 0.21 0.00 0.00 52.86 55.75 2rpq s ASN 15 Cb -0.05 -2.63 0.56 0.00 -0.55 0.00 0.00 41.25 38.58 2rpq s ASN 15 CO 0.03 -1.21 1.47 -0.90 -2.79 0.00 0.00 177.10 173.70 2rpq n ASP 16 N -0.60 3.99 -4.75 -4.21 5.75 -1.26 -5.02 116.55 110.46 2rpq n ASP 16 Ca 0.08 -2.38 -0.35 0.00 -0.01 0.00 0.00 54.79 52.13 2rpq n ASP 16 Cb 0.45 -0.46 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2rpq s HIS 17 N -1.70 2.38 0.06 2.11 -3.43 -1.26 -4.65 115.29 108.80 2rpq s HIS 17 Ca 0.41 1.54 -0.02 0.00 -0.80 0.00 0.00 55.06 56.19 2rpq s HIS 17 Cb 0.26 -3.42 -0.04 0.00 -1.43 0.00 0.00 32.58 27.95 2rpq s HIS 17 CO 0.20 -2.17 0.00 0.96 -2.00 0.00 0.00 174.74 171.73 2rpq s ILE 18 N -1.79 0.20 0.04 -5.38 -4.36 0.35 -4.97 121.20 105.29 2rpq s ILE 18 Ca 0.75 -1.76 0.08 0.00 -0.26 0.00 0.00 60.65 59.45 2rpq s ILE 18 Cb -0.28 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2rpq s ILE 18 CO 0.36 -0.90 -0.21 0.20 0.24 0.00 0.00 174.94 174.63 2rpq s ASN 19 N -2.93 3.54 0.16 4.36 0.01 -0.19 -0.37 114.94 119.53 2rpq s ASN 19 Ca 0.09 -0.49 0.07 0.00 -0.71 0.00 0.00 52.86 51.82 2rpq s ASN 19 Cb 0.08 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 2rpq s ASN 19 CO -0.09 0.26 -0.14 -1.48 -1.51 0.00 0.00 177.10 174.14 2rpq s LEU 20 N -1.35 2.48 0.10 0.60 2.34 -0.58 -1.75 118.68 120.52 2rpq s LEU 20 Ca 0.13 -0.93 0.05 0.00 0.06 0.00 0.00 54.13 53.45 2rpq s LEU 20 Cb -0.10 -0.61 -0.04 0.00 -0.56 0.00 0.00 46.19 44.87 2rpq s LEU 20 CO 0.04 -0.16 -0.01 -1.59 -1.06 0.00 0.00 176.35 173.57 2rpq s LYS 21 N -3.21 2.49 -0.16 1.48 -2.85 0.39 -0.33 119.74 117.56 2rpq s LYS 21 Ca 0.16 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 2rpq s LYS 21 Cb -0.02 -2.50 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 2rpq s LYS 21 CO 0.05 0.53 -0.16 0.08 0.10 0.00 0.00 175.35 175.94 2rpq s VAL 22 N -1.36 2.57 -0.08 1.79 1.01 -0.21 -0.85 120.40 123.27 2rpq s VAL 22 Ca 0.26 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2rpq s VAL 22 Cb -0.11 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2rpq s VAL 22 CO 0.18 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.63 2rpq s ALA 23 N 0.86 1.64 0.78 5.51 0.00 0.01 -2.10 121.76 128.46 2rpq s ALA 23 Ca -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 2rpq s ALA 23 Cb -0.15 -0.67 0.14 0.00 0.00 0.00 0.00 23.12 22.44 2rpq s ALA 23 CO -0.01 0.19 0.89 0.41 0.00 0.00 0.00 175.76 177.24 2rpq n GLY 24 N 3.68 -0.03 0.24 0.00 0.00 -0.15 -1.87 105.19 107.06 2rpq n GLY 24 Ca -0.21 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.00 2rpq n GLY 24 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2rpq h GLN 25 N 0.00 0.00 -0.10 1.61 -0.00 -1.89 -0.70 115.11 114.02 2rpq h GLN 25 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 2rpq h GLN 25 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 2rpq h GLN 25 CO 0.27 0.20 0.00 -0.40 -0.00 0.00 0.00 178.83 178.90 2rpq n ASP 26 N -3.66 2.31 0.00 0.06 5.68 -1.26 -4.94 116.55 114.74 2rpq n ASP 26 Ca -0.01 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 2rpq n ASP 26 Cb 0.32 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rpq n GLY 27 N 1.27 0.75 3.70 6.12 0.00 -0.27 -5.05 105.19 111.72 2rpq n GLY 27 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.51 6.86 -0.02 1.61 0.01 -1.26 -4.63 113.70 113.76 2rpq s SER 28 Ca 0.00 2.21 0.03 0.00 1.31 0.00 0.00 55.95 59.50 2rpq s SER 28 Cb 0.00 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 2rpq s SER 28 CO 0.00 -0.66 -0.12 0.54 0.41 0.00 0.00 173.24 173.42 2rpq s VAL 29 N 1.61 0.97 -0.02 3.43 0.11 -1.26 -0.98 120.40 124.26 2rpq s VAL 29 Ca 0.64 -0.48 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2rpq s VAL 29 Cb -0.34 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2rpq s VAL 29 CO 0.29 0.29 -0.14 0.54 -3.33 0.00 0.00 175.10 172.75 2rpq s VAL 30 N -0.00 1.10 -0.02 2.04 0.11 -0.89 -5.00 120.40 117.74 2rpq s VAL 30 Ca -0.00 -0.58 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 2rpq s VAL 30 Cb -0.08 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2rpq s VAL 30 CO 0.00 0.32 -0.26 0.00 -3.33 0.00 0.00 175.10 171.83 2rpq s GLN 31 N -0.21 2.16 -0.05 1.54 1.03 -1.26 -1.05 119.66 121.82 2rpq s GLN 31 Ca 0.03 -0.93 -0.07 0.00 0.04 0.00 0.00 55.36 54.44 2rpq s GLN 31 Cb -0.07 -2.06 0.01 0.00 0.03 0.00 0.00 33.01 30.93 2rpq s GLN 31 CO -0.00 0.54 0.17 -0.59 -2.54 0.00 0.00 175.29 172.87 2rpq s PHE 32 N -0.56 -0.14 -0.28 9.60 -0.12 0.55 -4.96 117.98 122.07 2rpq s PHE 32 Ca 0.09 0.33 -0.06 0.00 -0.05 0.00 0.00 56.93 57.24 2rpq s PHE 32 Cb -0.10 0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2rpq s PHE 32 CO -0.00 -0.15 0.05 0.21 -0.05 0.00 0.00 175.22 175.28 2rpq s LYS 33 N -0.29 3.13 0.04 1.99 2.20 -1.26 -1.53 119.74 124.02 2rpq s LYS 33 Ca -0.04 -0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 54.66 2rpq s LYS 33 Cb -0.03 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2rpq s LYS 33 CO 0.01 -0.40 0.18 -1.50 -0.36 0.00 0.00 175.35 173.28 2rpq s ILE 34 N 1.48 0.11 0.22 5.43 2.07 0.50 -4.95 121.20 126.07 2rpq s ILE 34 Ca 0.03 -0.92 0.07 0.00 -1.41 0.00 0.00 60.65 58.42 2rpq s ILE 34 Cb -0.17 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.48 2rpq s ILE 34 CO 0.01 -0.51 0.12 -0.54 -1.91 0.00 0.00 174.94 172.12 2rpq s LYS 35 N -2.56 2.75 0.19 3.50 1.02 -1.26 -0.49 119.74 122.88 2rpq s LYS 35 Ca -0.05 -1.08 -0.06 0.00 0.02 0.00 0.00 55.97 54.80 2rpq s LYS 35 Cb -0.01 -2.49 0.11 0.00 -0.52 0.00 0.00 37.83 34.92 2rpq s LYS 35 CO -0.04 0.42 1.56 0.00 -0.92 0.00 0.00 175.35 176.38 2rpq h ARG 36 N 1.94 0.78 0.00 1.68 3.08 -1.96 -2.97 114.38 116.93 2rpq h ARG 36 Ca -0.47 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.20 2rpq h ARG 36 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2rpq h ARG 36 CO 0.61 1.00 -0.48 1.58 -1.07 0.00 0.00 179.97 181.61 2rpq n HIS 37 N -4.07 0.25 -1.76 3.04 -0.00 -1.26 -1.91 115.22 109.50 2rpq n HIS 37 Ca -0.01 0.07 -0.39 0.00 0.46 0.00 0.00 57.72 57.85 2rpq n HIS 37 Cb 0.50 -0.46 0.03 0.00 -0.12 0.00 0.00 29.99 29.94 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2rpq s THR 38 N -3.07 2.01 0.56 3.57 2.01 -1.12 -4.92 115.64 114.68 2rpq s THR 38 Ca 0.09 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.90 2rpq s THR 38 Cb 0.16 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2rpq s THR 38 CO 0.69 0.00 1.22 -2.16 -0.69 0.00 0.00 174.62 173.67 2rpq s PRO 39 N -2.66 3.15 0.52 4.92 0.04 -1.26 -4.05 135.00 135.66 2rpq s PRO 39 Ca 0.66 1.86 0.26 0.00 0.04 0.00 0.00 61.00 63.81 2rpq s PRO 39 Cb -0.43 -2.06 1.43 0.00 0.04 0.00 0.00 34.50 33.48 2rpq s PRO 39 CO 0.54 -1.07 2.08 1.37 0.04 0.00 0.00 177.00 179.96 2rpq h LEU 40 N 1.18 0.00 -1.99 -3.56 8.10 -1.53 -3.14 115.31 114.38 2rpq h LEU 40 Ca -0.50 0.00 0.20 0.00 0.11 0.00 0.00 57.88 57.68 2rpq h LEU 40 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.48 2rpq h LEU 40 CO 0.56 0.11 0.52 -1.28 -4.11 0.00 0.00 178.44 174.25 2rpq h SER 41 N 0.00 0.00 -0.25 0.17 0.87 -1.81 -1.06 113.55 111.47 2rpq h SER 41 Ca -0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2rpq h SER 41 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2rpq h SER 41 CO 0.01 0.00 -0.21 0.50 -0.53 0.00 0.00 176.83 176.60 2rpq h LYS 42 N 0.00 0.71 -0.58 2.24 3.64 -1.89 -1.00 116.57 119.69 2rpq h LYS 42 Ca 0.32 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2rpq h LYS 42 Cb 1.37 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 2rpq h LYS 42 CO -0.00 0.87 0.18 -0.07 -2.27 0.00 0.00 179.45 178.15 2rpq h LEU 43 N 0.63 0.85 -0.72 5.20 -0.00 -1.43 0.08 115.31 119.92 2rpq h LEU 43 Ca 0.09 -0.21 0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2rpq h LEU 43 Cb 0.70 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 2rpq h LEU 43 CO 0.05 0.84 0.45 -0.03 -0.00 0.00 0.00 178.44 179.74 2rpq h MET 44 N 0.82 0.84 -0.55 1.13 4.05 -1.17 0.19 114.93 120.25 2rpq h MET 44 Ca 0.19 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 2rpq h MET 44 Cb 0.29 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2rpq h MET 44 CO -0.01 0.55 0.09 -0.22 0.23 0.00 0.00 176.91 177.56 2rpq h LYS 45 N 0.86 0.91 -0.57 0.39 3.11 -1.03 -2.66 116.57 117.57 2rpq h LYS 45 Ca 0.29 -0.24 -0.08 0.00 -2.81 0.00 0.00 60.65 57.81 2rpq h LYS 45 Cb 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.14 2rpq h LYS 45 CO -0.12 0.88 0.04 0.00 -2.81 0.00 0.00 179.45 177.43 2rpq h ALA 46 N 0.99 0.98 -0.83 5.00 0.00 -0.51 -1.55 119.26 123.35 2rpq h ALA 46 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2rpq h ALA 46 Cb 0.41 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2rpq h ALA 46 CO 0.01 0.63 0.49 -0.92 0.00 0.00 0.00 179.25 179.46 2rpq h TYR 47 N 0.89 1.10 -0.40 0.00 3.20 -0.60 0.72 116.97 121.87 2rpq h TYR 47 Ca 0.17 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2rpq h TYR 47 Cb 0.47 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2rpq h TYR 47 CO 0.03 0.74 0.17 0.00 -1.64 0.00 0.00 178.16 177.46 2rpq h GLU 49 N 0.51 -0.18 0.02 0.00 5.08 -0.99 -2.41 114.58 116.61 2rpq h GLU 49 Ca 0.14 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 2rpq h GLU 49 Cb 0.16 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.47 2rpq h GLU 49 CO -0.01 0.07 -0.74 0.00 -1.00 0.00 0.00 179.01 177.32 2rpq h ARG 50 N -0.41 0.46 -0.13 2.33 -0.00 -0.91 -3.36 114.38 112.36 2rpq h ARG 50 Ca -0.02 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 58.93 2rpq h ARG 50 Cb 0.33 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.46 2rpq h ARG 50 CO 0.03 1.18 0.00 1.04 0.00 0.00 0.00 179.97 182.22 2rpq n GLN 51 N -4.12 1.58 -0.82 0.04 1.13 0.10 -4.98 117.38 110.31 2rpq n GLN 51 Ca -0.11 -1.64 0.00 0.00 -1.94 0.00 0.00 57.00 53.30 2rpq n GLN 51 Cb 0.75 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.77 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 0.92 0.66 3.91 1.08 0.00 -0.91 -4.96 105.19 105.88 2rpq n GLY 52 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.95 -0.18 0.99 1.43 -1.20 -5.00 118.68 117.67 2rpq s LEU 53 Ca 0.00 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 2rpq s LEU 53 Cb 0.00 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2rpq s LEU 53 CO 0.00 -1.38 0.09 -0.44 0.23 0.00 0.00 176.35 174.85 2rpq s SER 54 N -4.41 5.88 0.38 2.29 0.01 -1.26 -4.51 113.70 112.08 2rpq s SER 54 Ca 0.58 0.17 0.12 0.00 1.31 0.00 0.00 55.95 58.13 2rpq s SER 54 Cb -0.11 -1.99 0.76 0.00 0.21 0.00 0.00 66.02 64.89 2rpq s SER 54 CO 0.47 0.21 1.86 0.00 0.41 0.00 0.00 173.24 176.19 2rpq h MET 55 N 6.43 0.04 0.00 12.44 -0.00 -1.93 -1.78 114.93 130.13 2rpq h MET 55 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 2rpq h MET 55 Cb 1.17 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 2rpq h MET 55 CO 0.70 0.35 0.00 0.07 -0.00 0.00 0.00 176.91 178.04 2rpq h ARG 56 N 0.04 0.00 0.00 -0.10 0.11 -2.02 -3.28 114.38 109.13 2rpq h ARG 56 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2rpq h ARG 56 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2rpq h ARG 56 CO 0.04 0.00 -0.74 1.04 0.10 0.00 0.00 179.97 180.42 2rpq n GLN 57 N -2.86 0.04 -4.48 0.08 6.02 -0.68 -4.87 117.38 110.64 2rpq n GLN 57 Ca 0.03 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 2rpq n GLN 57 Cb 0.40 -1.51 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2rpq s ILE 58 N -3.03 3.14 -0.01 5.09 -4.36 -1.17 -0.78 121.20 120.08 2rpq s ILE 58 Ca 0.09 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 2rpq s ILE 58 Cb 0.17 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.50 2rpq s ILE 58 CO 0.77 0.28 -0.03 -0.13 0.24 0.00 0.00 174.94 176.06 2rpq s ARG 59 N -1.68 0.36 0.05 0.37 1.81 -0.59 -4.91 118.95 114.35 2rpq s ARG 59 Ca 0.17 -0.09 0.01 0.00 -1.72 0.00 0.00 55.73 54.10 2rpq s ARG 59 Cb -0.11 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 2rpq s ARG 59 CO 0.08 0.03 0.12 -0.06 -0.68 0.00 0.00 175.30 174.79 2rpq s PHE 60 N 0.22 3.33 0.10 -0.53 0.40 -1.26 -1.31 117.98 118.92 2rpq s PHE 60 Ca -0.02 0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2rpq s PHE 60 Cb -0.05 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 2rpq s PHE 60 CO -0.00 0.56 -0.01 1.03 0.70 0.00 0.00 175.22 177.50 2rpq s ARG 61 N -2.23 0.80 -0.29 0.44 0.52 0.27 -3.44 118.95 115.01 2rpq s ARG 61 Ca 0.29 -1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 2rpq s ARG 61 Cb -0.12 0.09 0.05 0.00 0.52 0.00 0.00 34.95 35.49 2rpq s ARG 61 CO 0.21 -0.14 -0.01 0.12 0.02 0.00 0.00 175.30 175.50 2rpq s PHE 62 N -3.88 3.26 -1.35 -0.53 5.36 0.20 -1.18 117.98 119.86 2rpq s PHE 62 Ca 0.15 -1.92 -0.19 0.00 -0.96 0.00 0.00 56.93 54.00 2rpq s PHE 62 Cb 0.07 -2.08 0.02 0.00 -0.34 0.00 0.00 43.02 40.69 2rpq s PHE 62 CO -0.04 -0.81 0.42 -3.47 -1.46 0.00 0.00 175.22 169.86 2rpq n ASP 63 N 4.60 -2.07 0.00 6.13 -0.08 -1.26 -0.88 116.55 122.99 2rpq n ASP 63 Ca -0.13 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 51.88 2rpq n ASP 63 Cb 0.43 -1.82 0.00 0.00 2.34 0.00 0.00 41.12 42.08 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rpq n GLY 64 N -2.25 0.85 3.35 0.27 0.00 -1.26 -5.04 105.19 101.10 2rpq n GLY 64 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.14 3.44 0.20 1.61 -0.21 -0.06 -5.08 119.66 119.42 2rpq s GLN 65 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 55.36 54.48 2rpq s GLN 65 Cb 0.00 -3.13 -0.16 0.00 1.00 0.00 0.00 33.01 30.72 2rpq s GLN 65 CO 0.00 -0.21 0.98 -2.30 -2.12 0.00 0.00 175.29 171.64 2rpq n PRO 66 N 4.84 0.90 -4.35 2.91 -0.02 -1.26 -0.63 135.00 137.39 2rpq n PRO 66 Ca -0.17 0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 61.39 2rpq n PRO 66 Cb 0.51 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.61 1.98 0.30 4.25 -4.36 -1.22 -4.83 121.20 116.70 2rpq s ILE 67 Ca 0.68 -1.87 0.09 0.00 -0.26 0.00 0.00 60.65 59.29 2rpq s ILE 67 Cb -0.85 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 2rpq s ILE 67 CO 0.56 -0.18 0.05 0.20 0.24 0.00 0.00 174.94 175.81 2rpq s ASN 68 N -2.48 4.59 0.27 4.36 0.01 -1.26 -4.83 114.94 115.60 2rpq s ASN 68 Ca 0.15 -0.71 0.25 0.00 -0.71 0.00 0.00 52.86 51.85 2rpq s ASN 68 Cb -0.07 -0.80 0.93 0.00 0.41 0.00 0.00 41.25 41.71 2rpq s ASN 68 CO 0.07 -0.12 1.75 -0.33 -1.51 0.00 0.00 177.10 176.96 2rpq h GLU 69 N 1.75 0.00 -0.01 -0.60 5.08 -2.00 -1.25 114.58 117.55 2rpq h GLU 69 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2rpq h GLU 69 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2rpq h GLU 69 CO 0.62 0.00 -0.28 2.41 -1.00 0.00 0.00 179.01 180.76 2rpq n THR 70 N -2.34 0.00 -1.40 1.13 -1.04 -1.26 -3.84 114.28 105.53 2rpq n THR 70 Ca 0.03 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 2rpq n THR 70 Cb 0.32 0.88 0.15 0.00 -1.82 0.00 0.00 70.33 69.86 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 -2.36 3.14 0.10 8.00 1.01 -0.47 -4.88 116.67 121.21 2rpq s ASP 71 Ca 0.24 1.03 -0.10 0.00 0.71 0.00 0.00 52.55 54.44 2rpq s ASP 71 Cb 0.19 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.49 2rpq s ASP 71 CO 0.49 -2.79 0.24 0.42 0.21 0.00 0.00 175.17 173.74 2rpq s THR 72 N -3.17 0.12 0.40 -1.27 -4.23 -1.26 -1.66 115.64 104.57 2rpq s THR 72 Ca 0.64 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 2rpq s THR 72 Cb -0.16 -1.35 0.29 0.00 1.34 0.00 0.00 72.50 72.61 2rpq s THR 72 CO 0.55 -0.55 2.01 -0.65 -0.54 0.00 0.00 174.62 175.44 2rpq h PRO 73 N 2.66 0.56 -0.22 3.99 0.11 -1.70 -1.62 132.00 135.77 2rpq h PRO 73 Ca -0.34 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2rpq h PRO 73 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2rpq h PRO 73 CO 0.54 0.37 -0.04 0.00 -0.21 0.00 0.00 178.00 178.66 2rpq h ALA 74 N 1.70 0.31 -0.32 -0.75 0.00 -1.71 -1.04 119.26 117.44 2rpq h ALA 74 Ca 0.22 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2rpq h ALA 74 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rpq h ALA 74 CO -0.06 0.08 -0.46 1.96 0.00 0.00 0.00 179.25 180.77 2rpq h GLN 75 N 0.16 0.84 -0.00 0.00 1.08 -1.83 -3.00 115.11 112.35 2rpq h GLN 75 Ca 0.06 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2rpq h GLN 75 Cb 0.48 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2rpq h GLN 75 CO 0.02 1.11 -0.29 -0.11 -0.95 0.00 0.00 178.83 178.61 2rpq n LEU 76 N -4.03 0.45 -3.25 1.46 7.94 -0.62 -4.96 117.00 113.99 2rpq n LEU 76 Ca -0.03 0.08 -0.19 0.00 -1.11 0.00 0.00 56.01 54.76 2rpq n LEU 76 Cb 0.58 -0.28 0.08 0.00 0.53 0.00 0.00 43.42 44.33 2rpq n LEU 76 CO 0.49 0.10 0.18 -0.62 -1.11 0.00 0.00 177.39 176.42 2rpq n GLU 77 N -1.30 -6.74 -1.27 1.96 1.02 -0.60 -5.02 120.64 108.69 2rpq n GLU 77 Ca 0.08 0.76 -0.35 0.00 -0.02 0.00 0.00 57.16 57.63 2rpq n GLU 77 Cb 0.33 -5.55 0.10 0.00 -0.02 0.00 0.00 31.44 26.30 2rpq n GLU 77 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2rpq n MET 78 N -4.28 0.39 -3.84 3.49 2.81 -0.50 -5.03 117.12 110.16 2rpq n MET 78 Ca -0.10 0.19 -0.24 0.00 -1.81 0.00 0.00 57.70 55.75 2rpq n MET 78 Cb 0.59 -2.27 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 2rpq n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rpq n GLU 79 N -2.24 0.99 0.21 0.03 1.02 -1.26 -4.89 120.64 114.51 2rpq n GLU 79 Ca 0.13 -2.80 0.16 0.00 -0.02 0.00 0.00 57.16 54.62 2rpq n GLU 79 Cb 0.50 0.62 0.81 0.00 -0.02 0.00 0.00 31.44 33.35 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2rpq h ASP 80 N 0.81 0.00 -2.55 1.62 2.03 -1.94 -3.20 116.42 113.20 2rpq h ASP 80 Ca -0.31 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.40 2rpq h ASP 80 Cb 0.99 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 39.10 2rpq h ASP 80 CO 0.51 0.00 -0.89 -1.61 -1.03 0.00 0.00 179.24 176.22 2rpq s GLU 81 N -4.74 0.75 0.60 4.15 2.02 -1.16 -1.02 118.70 119.31 2rpq s GLU 81 Ca -0.05 -1.70 -0.06 0.00 0.02 0.00 0.00 54.97 53.19 2rpq s GLU 81 Cb 0.16 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.98 2rpq s GLU 81 CO 0.58 -1.28 0.91 0.34 0.02 0.00 0.00 175.26 175.83 2rpq s ASP 82 N 0.60 5.51 -0.09 -0.19 2.15 -0.72 -4.92 116.67 119.02 2rpq s ASP 82 Ca 0.24 0.68 -0.00 0.00 0.43 0.00 0.00 52.55 53.89 2rpq s ASP 82 Cb -0.12 -1.63 0.02 0.00 -0.30 0.00 0.00 42.92 40.89 2rpq s ASP 82 CO -0.07 -1.12 -0.05 -0.89 -0.17 0.00 0.00 175.17 172.87 2rpq s THR 83 N -3.01 0.76 -0.03 1.71 2.01 -1.26 -0.46 115.64 115.35 2rpq s THR 83 Ca 0.55 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2rpq s THR 83 Cb -0.11 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2rpq s THR 83 CO 0.45 0.32 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.90 2rpq s ILE 84 N 1.68 2.83 -0.07 1.82 -1.09 -0.03 -4.81 121.20 121.53 2rpq s ILE 84 Ca 0.03 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.60 2rpq s ILE 84 Cb -0.13 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 2rpq s ILE 84 CO -0.06 0.56 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.50 2rpq s ASP 85 N -0.80 4.52 -0.11 3.58 2.15 -0.33 -0.81 116.67 124.88 2rpq s ASP 85 Ca 0.12 -0.06 0.01 0.00 0.43 0.00 0.00 52.55 53.04 2rpq s ASP 85 Cb -0.10 -1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 41.38 2rpq s ASP 85 CO 0.01 0.36 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.56 2rpq s VAL 86 N -0.78 3.22 -0.05 1.11 1.01 -0.78 -0.56 120.40 123.57 2rpq s VAL 86 Ca 0.12 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2rpq s VAL 86 Cb -0.11 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2rpq s VAL 86 CO 0.01 0.55 -0.19 0.12 0.00 0.00 0.00 175.10 175.59 2rpq s PHE 87 N -0.05 2.57 0.02 5.22 5.36 -0.43 -3.64 117.98 127.03 2rpq s PHE 87 Ca -0.02 -0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 55.37 2rpq s PHE 87 Cb -0.14 -1.61 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 2rpq s PHE 87 CO 0.04 0.01 0.57 -0.65 -1.46 0.00 0.00 175.22 173.73 2rpq s GLN 88 N -0.49 4.25 0.33 10.12 -1.52 -1.26 -1.55 119.66 129.54 2rpq s GLN 88 Ca 0.06 0.70 0.07 0.00 -1.95 0.00 0.00 55.36 54.24 2rpq s GLN 88 Cb -0.12 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.36 2rpq s GLN 88 CO 0.01 0.48 0.44 -0.65 -0.25 0.00 0.00 175.29 175.32 2rpq s GLN 89 N -0.57 3.10 -0.03 2.91 -1.52 0.04 -4.97 119.66 118.62 2rpq s GLN 89 Ca 0.29 -1.03 0.05 0.00 -1.95 0.00 0.00 55.36 52.73 2rpq s GLN 89 Cb -0.18 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 29.81 2rpq s GLN 89 CO 0.17 0.10 -0.20 -0.65 -0.25 0.00 0.00 175.29 174.47 2rpq s GLN 90 N -4.13 1.85 0.25 2.91 -0.21 -1.26 -4.94 119.66 114.12 2rpq s GLN 90 Ca 0.43 -0.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.96 2rpq s GLN 90 Cb -0.09 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.26 2rpq s GLN 90 CO 0.30 0.34 0.53 -0.08 -2.12 0.00 0.00 175.29 174.27 2rpq s THR 91 N -0.20 0.01 -0.05 -0.19 -1.32 -1.26 -4.97 115.64 107.66 2rpq s THR 91 Ca 0.01 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2rpq s THR 91 Cb -0.10 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2rpq s THR 91 CO 0.01 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2rpq n GLY 92 N -0.39 0.47 0.00 6.08 0.00 -1.26 -5.26 105.19 104.83 2rpq n GLY 92 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93