#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpq n ALA 2 N 0.00 3.41 -1.80 3.04 0.00 -1.26 -4.93 120.51 118.98 2rpq n ALA 2 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2rpq n ALA 2 Cb 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2rpq n ALA 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2rpq s ASP 3 N -2.83 6.07 -0.13 0.00 -4.77 -1.26 -5.07 116.67 108.68 2rpq s ASP 3 Ca 0.15 1.49 -0.16 0.00 -3.30 0.00 0.00 52.55 50.73 2rpq s ASP 3 Cb 0.18 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 2rpq s ASP 3 CO 0.64 -0.98 0.40 -0.70 0.70 0.00 0.00 175.17 175.24 2rpq s GLU 4 N -5.02 4.29 -0.13 2.11 2.56 -1.26 -5.07 118.70 116.18 2rpq s GLU 4 Ca 0.56 0.31 -0.18 0.00 0.00 0.00 0.00 54.97 55.66 2rpq s GLU 4 Cb -0.12 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 2rpq s GLU 4 CO 0.52 0.22 0.48 0.21 -0.56 0.00 0.00 175.26 176.12 2rpq s LYS 5 N 0.48 4.33 0.81 4.30 2.20 -1.26 -5.08 119.74 125.51 2rpq s LYS 5 Ca 0.22 0.45 -0.15 0.00 -0.36 0.00 0.00 55.97 56.13 2rpq s LYS 5 Cb -0.14 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2rpq s LYS 5 CO 0.08 0.13 0.63 -2.30 -0.36 0.00 0.00 175.35 173.53 2rpq n PRO 6 N 3.77 0.12 -0.06 4.03 -0.02 -1.26 -4.97 135.00 136.60 2rpq n PRO 6 Ca -0.07 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2rpq n PRO 6 Cb 0.51 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2rpq n PRO 6 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rpq n LYS 7 N -1.51 0.00 -1.84 -0.52 2.85 -1.26 -5.08 118.16 110.80 2rpq n LYS 7 Ca 0.10 -0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 2rpq n LYS 7 Cb 0.51 -0.07 -0.03 0.00 -0.65 0.00 0.00 35.03 34.79 2rpq n LYS 7 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2rpq s GLU 8 N 0.00 4.16 0.00 -1.58 8.01 -1.26 -1.65 118.70 126.38 2rpq s GLU 8 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.97 57.39 2rpq s GLU 8 Cb 0.00 -4.02 0.00 0.00 -4.31 0.00 0.00 34.13 25.80 2rpq s GLU 8 CO 0.00 -0.89 0.00 0.41 0.01 0.00 0.00 175.26 174.79 2rpq n GLY 9 N 4.31 0.72 3.41 -1.39 0.00 -1.26 -5.04 105.19 105.95 2rpq n GLY 9 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2rpq n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rpq s VAL 10 N -2.71 4.25 -0.05 1.61 1.01 -0.66 -4.99 120.40 118.87 2rpq s VAL 10 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 2rpq s VAL 10 Cb 0.00 -3.08 -0.24 0.00 0.00 0.00 0.00 36.38 33.07 2rpq s VAL 10 CO 0.00 0.22 1.03 0.11 0.00 0.00 0.00 175.10 176.46 2rpq h LYS 11 N 8.26 0.19 -3.56 2.72 1.57 -1.96 -3.47 116.57 120.31 2rpq h LYS 11 Ca -0.35 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.03 2rpq h LYS 11 Cb 1.16 0.06 -0.26 0.00 0.08 0.00 0.00 32.23 33.27 2rpq h LYS 11 CO 0.59 0.94 -0.61 0.95 -0.57 0.00 0.00 179.45 180.75 2rpq s THR 12 N -3.13 0.02 -0.22 -0.16 -4.23 -1.26 -4.69 115.64 101.97 2rpq s THR 12 Ca -0.16 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.10 2rpq s THR 12 Cb 0.01 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 2rpq s THR 12 CO 0.75 -0.10 0.08 -0.70 -0.54 0.00 0.00 174.62 174.11 2rpq s GLU 13 N -0.29 3.85 0.00 3.99 2.12 -0.24 -4.92 118.70 123.22 2rpq s GLU 13 Ca -0.03 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2rpq s GLU 13 Cb -0.02 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2rpq s GLU 13 CO 0.00 0.06 0.00 0.27 -0.54 0.00 0.00 175.26 175.05 2rpq n ASN 14 N 4.20 0.00 -0.56 -1.70 2.04 -1.26 -0.54 115.26 117.44 2rpq n ASN 14 Ca -0.16 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 53.98 2rpq n ASN 14 Cb 0.52 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 2rpq n ASN 14 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2rpq n ASN 15 N 0.93 -2.03 0.00 0.53 5.15 -1.26 -4.41 115.26 114.17 2rpq n ASN 15 Ca 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2rpq n ASN 15 Cb 0.00 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 2rpq n ASN 15 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2rpq n ASP 16 N 1.28 -1.25 -4.73 1.20 8.00 -1.15 -4.78 116.55 115.12 2rpq n ASP 16 Ca -0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2rpq n ASP 16 Cb 0.50 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2rpq n ASP 16 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2rpq s HIS 17 N -2.00 3.74 0.08 1.24 3.76 0.30 -2.76 115.29 119.65 2rpq s HIS 17 Ca 0.00 1.65 -0.04 0.00 -0.15 0.00 0.00 55.06 56.52 2rpq s HIS 17 Cb 0.00 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.68 2rpq s HIS 17 CO 0.00 0.17 0.08 0.96 -0.85 0.00 0.00 174.74 175.10 2rpq s ILE 18 N 0.24 0.17 0.04 0.60 -4.36 0.52 -1.08 121.20 117.34 2rpq s ILE 18 Ca 0.45 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 59.35 2rpq s ILE 18 Cb -0.22 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 2rpq s ILE 18 CO 0.27 -0.79 -0.18 0.20 0.24 0.00 0.00 174.94 174.68 2rpq s ASN 19 N -2.91 3.81 0.12 4.36 0.01 0.06 -0.36 114.94 120.03 2rpq s ASN 19 Ca 0.08 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 2rpq s ASN 19 Cb 0.07 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 2rpq s ASN 19 CO -0.09 0.26 -0.10 -1.48 -1.51 0.00 0.00 177.10 174.18 2rpq s LEU 20 N -1.40 2.46 0.12 0.60 2.34 0.05 -1.59 118.68 121.26 2rpq s LEU 20 Ca 0.14 -0.90 0.10 0.00 0.06 0.00 0.00 54.13 53.54 2rpq s LEU 20 Cb -0.10 -0.33 -0.04 0.00 -0.56 0.00 0.00 46.19 45.15 2rpq s LEU 20 CO 0.05 -0.29 -0.24 -1.59 -1.06 0.00 0.00 176.35 173.22 2rpq s LYS 21 N -3.18 1.28 -0.13 1.48 -2.85 0.20 -0.33 119.74 116.21 2rpq s LYS 21 Ca 0.10 -1.27 0.03 0.00 -1.00 0.00 0.00 55.97 53.83 2rpq s LYS 21 Cb -0.01 -1.67 0.01 0.00 -2.06 0.00 0.00 37.83 34.10 2rpq s LYS 21 CO 0.00 0.39 -0.22 0.08 0.10 0.00 0.00 175.35 175.71 2rpq s VAL 22 N -1.11 2.01 -0.09 1.79 1.01 -0.29 -0.85 120.40 122.87 2rpq s VAL 22 Ca 0.11 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2rpq s VAL 22 Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2rpq s VAL 22 CO 0.05 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.48 2rpq s ALA 23 N 0.73 1.96 1.05 5.51 0.00 0.04 -2.09 121.76 128.96 2rpq s ALA 23 Ca -0.09 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 2rpq s ALA 23 Cb -0.16 -0.75 0.24 0.00 0.00 0.00 0.00 23.12 22.45 2rpq s ALA 23 CO 0.00 0.25 1.28 0.20 0.00 0.00 0.00 175.76 177.49 2rpq s GLY 24 N 0.39 1.74 0.34 0.00 0.00 0.21 -1.74 107.32 108.27 2rpq s GLY 24 Ca -0.17 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.41 2rpq s GLY 24 CO 0.08 -0.36 1.85 1.46 0.00 0.00 0.00 173.10 176.13 2rpq h GLN 25 N -1.97 0.41 -0.30 2.90 4.20 -1.89 -2.99 115.11 115.48 2rpq h GLN 25 Ca -0.44 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2rpq h GLN 25 Cb 1.24 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2rpq h GLN 25 CO 0.34 0.53 0.00 -0.40 -0.67 0.00 0.00 178.83 178.62 2rpq n ASP 26 N -4.24 1.96 0.00 1.46 5.75 -1.26 -4.90 116.55 115.32 2rpq n ASP 26 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2rpq n ASP 26 Cb 0.29 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.14 0.57 3.74 6.12 0.00 -1.13 -5.03 105.19 110.60 2rpq n GLY 27 Ca 0.14 0.00 -0.40 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 -2.06 7.07 -0.01 1.61 0.01 -1.26 -4.85 113.70 114.21 2rpq s SER 28 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2rpq s SER 28 Cb 0.00 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2rpq s SER 28 CO 0.00 -0.02 0.02 0.54 0.41 0.00 0.00 173.24 174.18 2rpq s VAL 29 N 0.27 -0.02 -0.02 3.43 0.11 -1.26 -0.62 120.40 122.30 2rpq s VAL 29 Ca 0.37 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.58 2rpq s VAL 29 Cb -0.19 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2rpq s VAL 29 CO 0.20 0.06 -0.14 0.54 -3.33 0.00 0.00 175.10 172.43 2rpq s VAL 30 N 0.66 1.11 0.22 2.04 0.11 -0.89 -4.99 120.40 118.66 2rpq s VAL 30 Ca -0.06 -0.58 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 2rpq s VAL 30 Cb -0.08 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2rpq s VAL 30 CO -0.02 0.32 0.23 0.00 -3.33 0.00 0.00 175.10 172.29 2rpq s GLN 31 N -0.21 3.07 0.02 1.54 1.03 -1.26 -1.14 119.66 122.71 2rpq s GLN 31 Ca 0.03 -0.91 -0.07 0.00 0.04 0.00 0.00 55.36 54.44 2rpq s GLN 31 Cb -0.07 -2.68 -0.00 0.00 0.03 0.00 0.00 33.01 30.29 2rpq s GLN 31 CO -0.00 0.44 0.14 -0.06 -2.54 0.00 0.00 175.29 173.27 2rpq s PHE 32 N -1.99 0.08 -0.17 9.60 0.40 0.55 -4.97 117.98 121.49 2rpq s PHE 32 Ca 0.33 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2rpq s PHE 32 Cb -0.09 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.40 2rpq s PHE 32 CO 0.26 -0.35 -0.13 0.21 0.70 0.00 0.00 175.22 175.91 2rpq s LYS 33 N -2.01 2.26 0.04 0.44 2.20 -1.26 -0.77 119.74 120.64 2rpq s LYS 33 Ca -0.10 -0.67 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 2rpq s LYS 33 Cb -0.04 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2rpq s LYS 33 CO -0.01 -0.30 0.12 -1.50 -0.36 0.00 0.00 175.35 173.30 2rpq s ILE 34 N 1.44 0.13 0.19 5.43 2.07 0.51 -4.95 121.20 126.03 2rpq s ILE 34 Ca 0.03 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.27 2rpq s ILE 34 Cb -0.14 -0.90 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 2rpq s ILE 34 CO -0.10 -0.58 0.26 -0.54 -1.91 0.00 0.00 174.94 172.07 2rpq s LYS 35 N -2.60 3.25 0.19 3.50 3.01 -1.26 -0.35 119.74 125.47 2rpq s LYS 35 Ca -0.05 -0.77 -0.06 0.00 -1.01 0.00 0.00 55.97 54.08 2rpq s LYS 35 Cb -0.01 -2.82 0.10 0.00 -1.01 0.00 0.00 37.83 34.10 2rpq s LYS 35 CO -0.04 0.47 1.56 -0.09 0.51 0.00 0.00 175.35 177.75 2rpq h ARG 36 N 1.83 0.78 0.00 1.68 2.43 -1.82 -2.61 114.38 116.66 2rpq h ARG 36 Ca -0.49 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.30 2rpq h ARG 36 Cb 1.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2rpq h ARG 36 CO 0.64 1.00 -0.25 1.12 -1.51 0.00 0.00 179.97 180.97 2rpq h HIS 37 N 0.65 0.00 -2.93 2.20 2.07 -1.96 -2.05 115.15 113.12 2rpq h HIS 37 Ca 0.07 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.06 2rpq h HIS 37 Cb 0.88 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.92 2rpq h HIS 37 CO 0.05 0.00 0.93 0.99 -3.07 0.00 0.00 177.93 176.83 2rpq s THR 38 N -3.20 2.22 0.75 6.12 2.01 -0.99 -4.90 115.64 117.65 2rpq s THR 38 Ca 0.07 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 2rpq s THR 38 Cb 0.09 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.54 2rpq s THR 38 CO 0.68 0.02 1.13 -2.16 -0.69 0.00 0.00 174.62 173.60 2rpq s PRO 39 N 0.61 2.22 0.55 4.92 0.04 -1.26 -4.18 135.00 137.90 2rpq s PRO 39 Ca 0.69 1.43 0.27 0.00 0.04 0.00 0.00 61.00 63.44 2rpq s PRO 39 Cb -0.47 -1.88 1.62 0.00 0.04 0.00 0.00 34.50 33.81 2rpq s PRO 39 CO 0.37 -1.71 2.17 1.37 0.04 0.00 0.00 177.00 179.24 2rpq h LEU 40 N -0.68 0.00 -1.99 -3.56 8.10 -1.33 -2.44 115.31 113.40 2rpq h LEU 40 Ca -0.45 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.73 2rpq h LEU 40 Cb 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.45 2rpq h LEU 40 CO 0.50 0.05 0.51 0.77 -4.11 0.00 0.00 178.44 176.17 2rpq h SER 41 N 0.00 0.00 -0.17 0.17 4.64 -1.81 -2.29 113.55 114.09 2rpq h SER 41 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2rpq h SER 41 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2rpq h SER 41 CO 0.01 0.00 -0.33 0.50 -0.87 0.00 0.00 176.83 176.14 2rpq h LYS 42 N 0.00 0.52 -0.31 4.77 1.63 -1.78 -1.22 116.57 120.17 2rpq h LYS 42 Ca 0.31 -0.33 -0.10 0.00 -0.85 0.00 0.00 60.65 59.68 2rpq h LYS 42 Cb 1.34 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 2rpq h LYS 42 CO -0.00 0.94 -0.21 1.37 -3.45 0.00 0.00 179.45 178.09 2rpq h LEU 43 N 0.16 0.59 -0.72 5.20 8.10 -1.70 -2.17 115.31 124.77 2rpq h LEU 43 Ca 0.01 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.79 2rpq h LEU 43 Cb 0.92 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.95 2rpq h LEU 43 CO 0.07 0.80 0.39 -0.03 -4.11 0.00 0.00 178.44 175.56 2rpq h MET 44 N 0.52 1.00 -0.31 0.17 4.05 -1.25 0.11 114.93 119.23 2rpq h MET 44 Ca 0.08 -0.12 -0.13 0.00 -0.28 0.00 0.00 59.70 59.25 2rpq h MET 44 Cb 0.66 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2rpq h MET 44 CO 0.05 0.75 -0.36 -0.22 0.23 0.00 0.00 176.91 177.36 2rpq h LYS 45 N 0.99 0.70 -0.71 0.39 3.64 -1.13 -2.58 116.57 117.86 2rpq h LYS 45 Ca 0.25 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2rpq h LYS 45 Cb 0.04 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2rpq h LYS 45 CO -0.04 0.95 0.40 0.00 -2.27 0.00 0.00 179.45 178.49 2rpq h ALA 46 N 1.02 1.36 -0.69 5.00 0.00 -1.06 -2.06 119.26 122.83 2rpq h ALA 46 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2rpq h ALA 46 Cb 0.88 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2rpq h ALA 46 CO 0.08 0.53 0.44 -0.92 0.00 0.00 0.00 179.25 179.38 2rpq h TYR 47 N 0.99 0.83 -0.64 0.00 3.20 -0.56 -1.57 116.97 119.22 2rpq h TYR 47 Ca 0.25 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2rpq h TYR 47 Cb 0.01 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 2rpq h TYR 47 CO 0.01 0.49 0.30 0.00 -1.64 0.00 0.00 178.16 177.32 2rpq h GLU 49 N 0.89 0.14 0.12 0.00 5.08 -1.11 -2.52 114.58 117.16 2rpq h GLU 49 Ca 0.22 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.34 2rpq h GLU 49 Cb 0.13 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.38 2rpq h GLU 49 CO -0.03 0.20 -0.91 0.00 -1.00 0.00 0.00 179.01 177.27 2rpq h ARG 50 N 0.04 0.41 -0.21 2.33 -0.00 -1.22 -3.39 114.38 112.35 2rpq h ARG 50 Ca 0.03 -0.60 0.00 0.00 -0.50 0.00 0.00 59.98 58.91 2rpq h ARG 50 Cb 0.11 0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.28 2rpq h ARG 50 CO -0.00 1.26 0.00 1.04 0.00 0.00 0.00 179.97 182.26 2rpq n GLN 51 N -4.04 2.80 -2.28 0.04 1.13 0.15 -5.01 117.38 110.16 2rpq n GLN 51 Ca -0.13 -1.81 -0.02 0.00 -1.94 0.00 0.00 57.00 53.10 2rpq n GLN 51 Cb 0.85 -1.17 0.01 0.00 0.11 0.00 0.00 30.24 30.04 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 0.15 0.50 3.38 1.08 0.00 -0.96 -4.98 105.19 104.36 2rpq n GLY 52 Ca 0.07 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.17 2.55 -0.16 0.99 1.43 -1.15 -5.06 118.68 115.11 2rpq s LEU 53 Ca 0.02 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 2rpq s LEU 53 Cb -0.01 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2rpq s LEU 53 CO 0.07 -0.18 0.09 -0.44 0.23 0.00 0.00 176.35 176.12 2rpq s SER 54 N -3.37 5.91 0.38 2.29 0.01 -1.26 -4.59 113.70 113.08 2rpq s SER 54 Ca 0.25 0.22 0.09 0.00 1.31 0.00 0.00 55.95 57.82 2rpq s SER 54 Cb -0.00 -1.96 0.77 0.00 0.21 0.00 0.00 66.02 65.04 2rpq s SER 54 CO 0.09 0.26 1.93 0.00 0.41 0.00 0.00 173.24 175.93 2rpq h MET 55 N 6.05 0.31 0.00 12.44 -0.00 -1.92 -1.89 114.93 129.92 2rpq h MET 55 Ca -0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.20 2rpq h MET 55 Cb 1.18 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 2rpq h MET 55 CO 0.67 0.39 0.00 2.89 -0.00 0.00 0.00 176.91 180.86 2rpq n ARG 56 N -4.30 0.25 0.09 -0.10 1.85 -1.26 -3.49 116.66 109.70 2rpq n ARG 56 Ca -0.00 0.23 0.12 0.00 -1.00 0.00 0.00 57.85 57.20 2rpq n ARG 56 Cb 0.24 -1.81 0.13 0.00 -1.05 0.00 0.00 32.46 29.97 2rpq n ARG 56 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2rpq h GLN 57 N 0.00 0.00 -6.45 2.89 1.08 -1.62 -3.46 115.11 107.55 2rpq h GLN 57 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 2rpq h GLN 57 Cb 0.70 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.87 2rpq h GLN 57 CO 0.00 0.00 -0.81 0.96 -0.95 0.00 0.00 178.83 178.03 2rpq s ILE 58 N -3.23 2.69 0.02 2.54 -4.36 -1.20 -1.19 121.20 116.48 2rpq s ILE 58 Ca 0.05 -0.90 0.01 0.00 -0.26 0.00 0.00 60.65 59.54 2rpq s ILE 58 Cb 0.11 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.79 2rpq s ILE 58 CO 0.73 0.56 -0.04 -0.13 0.24 0.00 0.00 174.94 176.30 2rpq s ARG 59 N -0.75 0.33 0.06 0.37 1.81 -0.62 -4.91 118.95 115.23 2rpq s ARG 59 Ca 0.11 -0.46 0.03 0.00 -1.72 0.00 0.00 55.73 53.70 2rpq s ARG 59 Cb -0.10 -0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 2rpq s ARG 59 CO 0.00 0.01 0.03 -0.06 -0.68 0.00 0.00 175.30 174.61 2rpq s PHE 60 N -0.92 3.10 0.09 -0.53 0.08 -1.26 -1.04 117.98 117.50 2rpq s PHE 60 Ca -0.08 0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.06 2rpq s PHE 60 Cb -0.07 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 2rpq s PHE 60 CO -0.00 0.50 -0.12 1.03 -0.10 0.00 0.00 175.22 176.53 2rpq s ARG 61 N -2.14 0.86 -0.24 0.44 0.52 0.59 -2.36 118.95 116.61 2rpq s ARG 61 Ca 0.25 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2rpq s ARG 61 Cb -0.12 -0.65 0.07 0.00 0.52 0.00 0.00 34.95 34.76 2rpq s ARG 61 CO 0.18 0.12 -0.03 0.12 0.02 0.00 0.00 175.30 175.70 2rpq s PHE 62 N -2.11 2.38 -1.39 -0.53 5.36 0.25 -2.18 117.98 119.77 2rpq s PHE 62 Ca 0.04 -1.80 -0.01 0.00 -0.96 0.00 0.00 56.93 54.20 2rpq s PHE 62 Cb -0.05 -1.65 -0.00 0.00 -0.34 0.00 0.00 43.02 40.98 2rpq s PHE 62 CO 0.01 -0.79 0.45 -3.47 -1.46 0.00 0.00 175.22 169.97 2rpq n ASP 63 N 4.67 -0.58 0.00 6.13 2.03 -1.26 -1.36 116.55 126.18 2rpq n ASP 63 Ca -0.10 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.21 2rpq n ASP 63 Cb 0.44 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.71 2rpq n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rpq n GLY 64 N -1.94 0.68 3.43 0.27 0.00 -1.26 -5.04 105.19 101.33 2rpq n GLY 64 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.03 3.55 0.26 1.61 -0.21 -0.47 -5.10 119.66 119.27 2rpq s GLN 65 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 55.36 54.50 2rpq s GLN 65 Cb 0.00 -2.88 -0.13 0.00 1.00 0.00 0.00 33.01 31.00 2rpq s GLN 65 CO 0.00 0.14 1.45 -2.30 -2.12 0.00 0.00 175.29 172.46 2rpq n PRO 66 N 3.82 2.22 -5.24 2.91 -0.02 -1.26 -0.58 135.00 136.86 2rpq n PRO 66 Ca -0.18 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 2rpq n PRO 66 Cb 0.52 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.12 2.17 0.32 4.25 -4.36 -0.99 -4.84 121.20 117.63 2rpq s ILE 67 Ca 0.66 -1.04 0.09 0.00 -0.26 0.00 0.00 60.65 60.09 2rpq s ILE 67 Cb -0.60 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2rpq s ILE 67 CO 0.50 0.58 0.09 0.20 0.24 0.00 0.00 174.94 176.54 2rpq s ASN 68 N -0.39 4.57 0.52 4.36 0.01 -1.26 -4.41 114.94 118.33 2rpq s ASN 68 Ca 0.03 -0.78 0.20 0.00 -0.71 0.00 0.00 52.86 51.61 2rpq s ASN 68 Cb -0.12 -0.73 1.36 0.00 0.41 0.00 0.00 41.25 42.17 2rpq s ASN 68 CO 0.01 -0.22 2.13 -0.33 -1.51 0.00 0.00 177.10 177.19 2rpq h GLU 69 N 1.67 0.00 0.00 -0.60 5.08 -1.99 0.17 114.58 118.91 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 0.63 0.06 0.00 2.41 -1.00 0.00 0.00 179.01 181.11 2rpq n THR 70 N -4.22 0.55 -1.60 1.13 -1.04 -1.26 -3.37 114.28 104.46 2rpq n THR 70 Ca -0.03 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 2rpq n THR 70 Cb 0.14 -0.65 0.12 0.00 -1.82 0.00 0.00 70.33 68.12 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 -4.23 3.89 0.14 8.00 1.01 0.05 -4.87 116.67 120.64 2rpq s ASP 71 Ca 0.10 1.00 -0.13 0.00 0.71 0.00 0.00 52.55 54.23 2rpq s ASP 71 Cb 0.13 -1.60 0.02 0.00 1.01 0.00 0.00 42.92 42.48 2rpq s ASP 71 CO 0.55 -2.32 0.35 0.42 0.21 0.00 0.00 175.17 174.39 2rpq s THR 72 N -3.31 0.08 0.47 -1.27 -4.23 -1.26 -1.43 115.64 104.69 2rpq s THR 72 Ca 0.63 -0.89 0.12 0.00 -1.18 0.00 0.00 61.69 60.37 2rpq s THR 72 Cb -0.14 -1.39 0.26 0.00 1.34 0.00 0.00 72.50 72.56 2rpq s THR 72 CO 0.53 -0.35 2.10 -0.65 -0.54 0.00 0.00 174.62 175.70 2rpq h PRO 73 N 2.45 0.22 -0.20 3.99 0.11 -1.73 -0.30 132.00 136.55 2rpq h PRO 73 Ca -0.33 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 2rpq h PRO 73 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2rpq h PRO 73 CO 0.48 0.17 -0.13 0.00 -0.21 0.00 0.00 178.00 178.30 2rpq h ALA 74 N 1.87 0.29 -0.25 -0.75 0.00 -1.72 -0.54 119.26 118.17 2rpq h ALA 74 Ca 0.06 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2rpq h ALA 74 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rpq h ALA 74 CO -0.01 0.15 -0.33 1.96 0.00 0.00 0.00 179.25 181.02 2rpq h GLN 75 N 0.13 0.66 -0.00 0.00 4.20 -1.82 -3.04 115.11 115.25 2rpq h GLN 75 Ca 0.04 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2rpq h GLN 75 Cb 0.64 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2rpq h GLN 75 CO 0.04 0.99 -0.25 -0.11 -0.67 0.00 0.00 178.83 178.83 2rpq n LEU 76 N -4.26 0.38 -2.47 1.46 7.94 -0.14 -4.95 117.00 114.96 2rpq n LEU 76 Ca -0.05 0.13 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 2rpq n LEU 76 Cb 0.50 -0.30 0.05 0.00 0.53 0.00 0.00 43.42 44.20 2rpq n LEU 76 CO 0.45 0.08 0.13 -0.62 -1.11 0.00 0.00 177.39 176.33 2rpq n GLU 77 N -1.32 -4.82 -1.86 1.96 1.02 -0.65 -5.00 120.64 109.98 2rpq n GLU 77 Ca 0.08 0.53 -0.37 0.00 -0.02 0.00 0.00 57.16 57.38 2rpq n GLU 77 Cb 0.32 -4.63 0.05 0.00 -0.02 0.00 0.00 31.44 27.16 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 -5.58 2.91 0.70 3.49 -1.94 -0.30 -5.03 119.30 113.56 2rpq s MET 78 Ca 0.27 2.03 -0.01 0.00 -1.71 0.00 0.00 55.69 56.28 2rpq s MET 78 Cb -0.12 -2.02 0.11 0.00 2.01 0.00 0.00 34.83 34.81 2rpq s MET 78 CO 0.46 -1.31 0.98 -1.21 -0.01 0.00 0.00 175.02 173.92 2rpq s GLU 79 N -3.19 1.78 0.58 2.03 2.02 -1.26 -4.94 118.70 115.72 2rpq s GLU 79 Ca 0.77 -1.02 0.27 0.00 0.02 0.00 0.00 54.97 55.01 2rpq s GLU 79 Cb -0.36 -2.33 1.64 0.00 0.10 0.00 0.00 34.13 33.18 2rpq s GLU 79 CO 0.40 -1.37 2.15 0.38 0.02 0.00 0.00 175.26 176.84 2rpq h ASP 80 N -0.48 0.00 -2.39 -0.19 2.03 -1.84 -3.23 116.42 110.32 2rpq h ASP 80 Ca -0.38 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.33 2rpq h ASP 80 Cb 1.27 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 39.39 2rpq h ASP 80 CO 0.42 0.00 -0.95 -0.62 -1.03 0.00 0.00 179.24 177.06 2rpq n GLU 81 N -3.96 0.37 -2.13 4.15 1.02 -1.06 -0.76 120.64 118.28 2rpq n GLU 81 Ca -0.00 -3.29 -0.29 0.00 -0.02 0.00 0.00 57.16 53.56 2rpq n GLU 81 Cb 0.23 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.18 5.86 -0.12 1.62 2.15 -0.62 -4.91 116.67 120.47 2rpq s ASP 82 Ca 0.33 1.09 -0.01 0.00 0.43 0.00 0.00 52.55 54.39 2rpq s ASP 82 Cb 0.04 -2.10 0.03 0.00 -0.30 0.00 0.00 42.92 40.60 2rpq s ASP 82 CO -0.19 -1.00 -0.05 -0.89 -0.17 0.00 0.00 175.17 172.87 2rpq s THR 83 N -3.12 0.85 -0.01 1.71 2.01 -1.26 -0.62 115.64 115.20 2rpq s THR 83 Ca 0.54 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.36 2rpq s THR 83 Cb -0.11 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2rpq s THR 83 CO 0.50 0.27 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.82 2rpq s ILE 84 N 1.77 2.20 0.09 1.82 -1.09 -0.03 -4.99 121.20 120.97 2rpq s ILE 84 Ca 0.04 -1.10 0.06 0.00 -2.23 0.00 0.00 60.65 57.42 2rpq s ILE 84 Cb -0.13 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2rpq s ILE 84 CO -0.07 0.55 -0.06 -1.81 -1.23 0.00 0.00 174.94 172.32 2rpq s ASP 85 N -0.71 4.67 -0.04 3.58 1.01 -0.93 -0.78 116.67 123.46 2rpq s ASP 85 Ca 0.10 -0.28 0.05 0.00 0.71 0.00 0.00 52.55 53.13 2rpq s ASP 85 Cb -0.10 -1.00 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 2rpq s ASP 85 CO -0.00 0.19 -0.17 -0.69 0.21 0.00 0.00 175.17 174.70 2rpq s VAL 86 N -1.24 2.78 0.02 -1.27 1.01 -0.71 -0.30 120.40 120.70 2rpq s VAL 86 Ca 0.23 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2rpq s VAL 86 Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2rpq s VAL 86 CO 0.15 0.59 -0.24 0.12 0.00 0.00 0.00 175.10 175.71 2rpq s PHE 87 N -0.66 2.14 -0.25 5.22 2.19 -0.21 -3.92 117.98 122.49 2rpq s PHE 87 Ca 0.10 -0.40 -0.20 0.00 0.33 0.00 0.00 56.93 56.76 2rpq s PHE 87 Cb -0.11 -1.32 -0.02 0.00 -1.31 0.00 0.00 43.02 40.27 2rpq s PHE 87 CO 0.00 0.06 0.63 -1.14 1.83 0.00 0.00 175.22 176.60 2rpq s GLN 88 N -0.98 4.12 -0.06 10.12 0.74 -1.26 -1.59 119.66 130.75 2rpq s GLN 88 Ca 0.10 0.56 0.05 0.00 0.05 0.00 0.00 55.36 56.12 2rpq s GLN 88 Cb -0.09 -3.64 -0.00 0.00 1.10 0.00 0.00 33.01 30.37 2rpq s GLN 88 CO 0.01 -0.40 -0.21 -1.14 -0.55 0.00 0.00 175.29 173.00 2rpq s GLN 89 N 2.46 2.28 -0.36 1.67 2.00 -0.33 -4.99 119.66 122.38 2rpq s GLN 89 Ca 0.26 -0.76 -0.27 0.00 -2.00 0.00 0.00 55.36 52.60 2rpq s GLN 89 Cb -0.15 -1.90 0.02 0.00 0.80 0.00 0.00 33.01 31.77 2rpq s GLN 89 CO 0.09 0.28 0.97 -1.14 -0.50 0.00 0.00 175.29 174.98 2rpq s GLN 90 N 0.04 3.89 0.00 1.67 0.74 -1.26 -4.71 119.66 120.03 2rpq s GLN 90 Ca -0.07 0.69 0.19 0.00 0.05 0.00 0.00 55.36 56.22 2rpq s GLN 90 Cb -0.14 -3.79 0.06 0.00 1.10 0.00 0.00 33.01 30.24 2rpq s GLN 90 CO 0.04 -0.95 1.00 -2.37 -0.55 0.00 0.00 175.29 172.46 2rpq n THR 91 N 5.99 0.00 -0.99 -0.34 5.66 -1.26 -4.98 114.28 118.35 2rpq n THR 91 Ca 0.08 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2rpq n THR 91 Cb 0.48 1.29 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rpq n GLY 92 N 1.18 0.67 0.00 1.09 0.00 -1.26 -5.24 105.19 101.63 2rpq n GLY 92 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93