#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 0.87 -2.99 3.04 0.00 -2.14 -3.46 119.26 114.58 2rpq h ALA 2 Ca 0.00 -0.45 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 2rpq h ALA 2 Cb 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 17.82 2rpq h ALA 2 CO 0.00 0.65 0.60 -0.51 0.00 0.00 0.00 179.25 179.99 2rpq s ASP 3 N -6.87 5.38 -0.06 0.00 1.01 -1.26 -5.05 116.67 109.82 2rpq s ASP 3 Ca -0.07 2.73 0.04 0.00 0.71 0.00 0.00 52.55 55.96 2rpq s ASP 3 Cb 0.12 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.42 2rpq s ASP 3 CO 0.82 -1.49 -0.19 -0.70 0.21 0.00 0.00 175.17 173.82 2rpq s GLU 4 N -2.87 2.16 0.60 8.23 2.12 -1.26 -5.14 118.70 122.54 2rpq s GLU 4 Ca 0.70 -0.67 -0.17 0.00 0.36 0.00 0.00 54.97 55.20 2rpq s GLU 4 Cb -0.39 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 2rpq s GLU 4 CO 0.47 0.20 1.10 -1.59 -0.54 0.00 0.00 175.26 174.90 2rpq s LYS 5 N 0.23 3.14 0.34 4.30 -2.85 -1.26 -5.03 119.74 118.60 2rpq s LYS 5 Ca -0.10 1.43 -0.25 0.00 -1.00 0.00 0.00 55.97 56.04 2rpq s LYS 5 Cb -0.14 -1.99 -0.14 0.00 -2.06 0.00 0.00 37.83 33.50 2rpq s LYS 5 CO 0.04 -0.99 0.68 -2.30 0.10 0.00 0.00 175.35 172.89 2rpq n PRO 6 N -1.89 0.70 -3.04 1.78 -0.02 -1.26 -5.01 135.00 126.25 2rpq n PRO 6 Ca 0.10 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2rpq n PRO 6 Cb 0.52 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 2rpq n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2rpq s LYS 7 N -1.45 4.10 0.33 -0.52 1.02 -1.26 -5.08 119.74 116.88 2rpq s LYS 7 Ca 0.62 0.82 -0.15 0.00 0.02 0.00 0.00 55.97 57.28 2rpq s LYS 7 Cb -0.70 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2rpq s LYS 7 CO 0.58 0.14 0.69 -1.83 -0.92 0.00 0.00 175.35 174.01 2rpq s GLU 8 N -2.91 1.99 0.04 1.68 -1.05 -1.26 -5.16 118.70 112.03 2rpq s GLU 8 Ca 0.55 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 2rpq s GLU 8 Cb -0.11 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2rpq s GLU 8 CO 0.17 -0.90 0.00 0.41 0.95 0.00 0.00 175.26 175.88 2rpq n GLY 9 N -0.50 -1.89 3.63 -3.83 0.00 -1.26 -5.00 105.19 96.34 2rpq n GLY 9 Ca -0.05 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 2rpq n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rpq n VAL 10 N -2.44 -6.08 -1.97 1.61 0.31 -1.26 -4.88 118.33 103.63 2rpq n VAL 10 Ca -0.00 -0.95 -0.41 0.00 -0.01 0.00 0.00 64.34 62.97 2rpq n VAL 10 Cb 0.06 -4.54 -0.01 0.00 -0.91 0.00 0.00 33.84 28.44 2rpq n VAL 10 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2rpq n LYS 11 N -4.05 4.13 -0.22 5.55 3.00 -1.26 -4.55 118.16 120.75 2rpq n LYS 11 Ca -0.13 -3.25 0.11 0.00 -0.00 0.00 0.00 58.31 55.04 2rpq n LYS 11 Cb 0.61 -2.77 0.22 0.00 0.00 0.00 0.00 35.03 33.10 2rpq n LYS 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2rpq n THR 12 N 2.58 0.63 -0.34 3.15 -2.24 -1.26 -4.51 114.28 112.29 2rpq n THR 12 Ca 0.58 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 2rpq n THR 12 Cb 0.28 0.85 0.09 0.00 -2.10 0.00 0.00 70.33 69.45 2rpq n THR 12 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2rpq h GLU 13 N 4.11 1.26 0.00 -0.78 5.08 -2.00 -3.38 114.58 118.87 2rpq h GLU 13 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2rpq h GLU 13 Cb 0.94 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2rpq h GLU 13 CO 0.00 0.90 -0.14 0.09 -1.00 0.00 0.00 179.01 178.86 2rpq n ASN 14 N -4.35 0.71 -4.05 1.42 4.13 -1.26 -5.05 115.26 106.81 2rpq n ASN 14 Ca 0.10 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.06 2rpq n ASN 14 Cb 0.08 0.13 -0.17 0.00 -1.54 0.00 0.00 39.78 38.29 2rpq n ASN 14 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2rpq s ASN 15 N -0.44 2.60 0.19 6.41 2.47 -1.26 -4.91 114.94 120.00 2rpq s ASN 15 Ca 0.00 -0.47 -0.19 0.00 0.42 0.00 0.00 52.86 52.62 2rpq s ASN 15 Cb 0.00 -1.16 0.04 0.00 -1.45 0.00 0.00 41.25 38.68 2rpq s ASN 15 CO 0.00 -0.00 0.55 1.51 -3.72 0.00 0.00 177.10 175.44 2rpq s ASP 16 N 1.16 -0.32 0.19 -4.21 -4.77 -1.26 -4.26 116.67 103.19 2rpq s ASP 16 Ca -0.02 -0.38 -0.30 0.00 -3.30 0.00 0.00 52.55 48.55 2rpq s ASP 16 Cb -0.14 0.59 -0.08 0.00 -1.09 0.00 0.00 42.92 42.20 2rpq s ASP 16 CO -0.05 -1.06 1.20 -1.38 0.70 0.00 0.00 175.17 174.58 2rpq s HIS 17 N -3.85 3.42 0.08 2.11 -3.43 -1.26 -3.17 115.29 109.19 2rpq s HIS 17 Ca 0.07 1.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.76 2rpq s HIS 17 Cb -0.01 -3.44 -0.04 0.00 -1.43 0.00 0.00 32.58 27.66 2rpq s HIS 17 CO -0.04 -1.22 -0.03 0.96 -2.00 0.00 0.00 174.74 172.40 2rpq s ILE 18 N -0.14 0.42 0.02 -5.38 -4.36 0.14 -4.96 121.20 106.94 2rpq s ILE 18 Ca 0.52 -1.88 0.04 0.00 -0.26 0.00 0.00 60.65 59.08 2rpq s ILE 18 Cb -0.33 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 2rpq s ILE 18 CO 0.37 -0.87 -0.08 0.20 0.24 0.00 0.00 174.94 174.80 2rpq s ASN 19 N -3.00 4.50 0.14 4.36 0.01 0.32 -0.29 114.94 120.97 2rpq s ASN 19 Ca 0.12 -0.20 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 2rpq s ASN 19 Cb 0.07 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 2rpq s ASN 19 CO -0.06 0.27 -0.13 -1.48 -1.51 0.00 0.00 177.10 174.18 2rpq s LEU 20 N -1.50 2.44 0.11 0.60 2.34 -0.21 -1.72 118.68 120.74 2rpq s LEU 20 Ca 0.17 -0.87 0.09 0.00 0.06 0.00 0.00 54.13 53.58 2rpq s LEU 20 Cb -0.11 -0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 44.95 2rpq s LEU 20 CO 0.08 -0.18 -0.21 -1.59 -1.06 0.00 0.00 176.35 173.39 2rpq s LYS 21 N -2.96 1.17 -0.05 1.48 0.00 0.54 -0.30 119.74 119.63 2rpq s LYS 21 Ca 0.12 -1.21 0.06 0.00 0.00 0.00 0.00 55.97 54.94 2rpq s LYS 21 Cb -0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 37.83 36.35 2rpq s LYS 21 CO 0.03 0.33 -0.22 0.54 0.00 0.00 0.00 175.35 176.03 2rpq s VAL 22 N -1.25 2.35 -0.07 1.79 0.11 -0.12 -1.35 120.40 121.86 2rpq s VAL 22 Ca 0.08 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 2rpq s VAL 22 Cb -0.10 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.90 2rpq s VAL 22 CO 0.05 0.58 -0.15 0.00 -3.33 0.00 0.00 175.10 172.25 2rpq s ALA 23 N -0.44 1.45 0.21 1.54 0.00 -0.16 -1.92 121.76 122.44 2rpq s ALA 23 Ca 0.05 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2rpq s ALA 23 Cb -0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2rpq s ALA 23 CO 0.01 0.16 0.40 0.20 0.00 0.00 0.00 175.76 176.52 2rpq s GLY 24 N 0.57 0.53 -1.04 0.00 0.00 -0.28 -1.81 107.32 105.29 2rpq s GLY 24 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2rpq s GLY 24 CO 0.05 -0.71 0.00 -0.18 0.00 0.00 0.00 173.10 172.25 2rpq n GLN 25 N -0.32 -2.19 -2.06 2.90 7.27 -1.26 -0.67 117.38 121.06 2rpq n GLN 25 Ca -0.04 0.59 -0.19 0.00 0.07 0.00 0.00 57.00 57.43 2rpq n GLN 25 Cb 0.63 -5.16 -0.04 0.00 2.41 0.00 0.00 30.24 28.07 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rpq n ASP 26 N -1.72 -5.46 0.00 1.69 8.00 -1.26 -4.54 116.55 113.26 2rpq n ASP 26 Ca -0.14 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2rpq n ASP 26 Cb 0.60 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 2rpq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rpq n GLY 27 N -0.86 0.05 3.70 0.44 0.00 -1.03 -5.12 105.19 102.37 2rpq n GLY 27 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2rpq n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rpq s SER 28 N 0.00 6.72 -0.03 1.61 0.15 0.16 -4.99 113.70 117.32 2rpq s SER 28 Ca 0.00 0.86 -0.00 0.00 0.70 0.00 0.00 55.95 57.51 2rpq s SER 28 Cb 0.00 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2rpq s SER 28 CO 0.00 -0.09 0.02 0.54 1.20 0.00 0.00 173.24 174.91 2rpq s VAL 29 N 1.00 0.08 -0.02 4.45 0.11 -1.26 -1.13 120.40 123.63 2rpq s VAL 29 Ca 0.28 0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 2rpq s VAL 29 Cb -0.16 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2rpq s VAL 29 CO 0.12 0.15 -0.13 0.54 -3.33 0.00 0.00 175.10 172.44 2rpq s VAL 30 N 1.37 1.08 0.12 2.04 0.11 -0.81 -4.99 120.40 119.33 2rpq s VAL 30 Ca -0.05 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 2rpq s VAL 30 Cb -0.13 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2rpq s VAL 30 CO -0.03 0.31 -0.20 0.00 -3.33 0.00 0.00 175.10 171.85 2rpq s GLN 31 N -0.20 1.71 -0.03 1.54 1.03 -1.26 -0.95 119.66 121.50 2rpq s GLN 31 Ca 0.03 -1.21 -0.03 0.00 0.04 0.00 0.00 55.36 54.18 2rpq s GLN 31 Cb -0.07 -2.07 0.01 0.00 0.03 0.00 0.00 33.01 30.91 2rpq s GLN 31 CO -0.00 0.47 0.09 -0.06 -2.54 0.00 0.00 175.29 173.25 2rpq s PHE 32 N -1.12 -0.08 -0.31 9.60 0.40 0.59 -4.97 117.98 122.09 2rpq s PHE 32 Ca 0.17 0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 56.61 2rpq s PHE 32 Cb -0.10 0.02 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 2rpq s PHE 32 CO 0.09 -0.06 0.15 0.21 0.70 0.00 0.00 175.22 176.31 2rpq s LYS 33 N -0.04 3.36 0.04 0.44 2.20 -1.26 -1.04 119.74 123.43 2rpq s LYS 33 Ca -0.01 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2rpq s LYS 33 Cb -0.01 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2rpq s LYS 33 CO 0.00 -0.41 0.01 -1.50 -0.36 0.00 0.00 175.35 173.10 2rpq s ILE 34 N 1.62 0.15 0.25 5.43 2.07 0.60 -4.95 121.20 126.36 2rpq s ILE 34 Ca 0.05 -1.25 -0.04 0.00 -1.41 0.00 0.00 60.65 58.00 2rpq s ILE 34 Cb -0.17 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 2rpq s ILE 34 CO 0.06 -0.69 0.49 -0.54 -1.91 0.00 0.00 174.94 172.36 2rpq s LYS 35 N -2.61 3.61 0.18 3.50 3.01 -1.26 -0.68 119.74 125.49 2rpq s LYS 35 Ca -0.05 -0.08 -0.07 0.00 -1.01 0.00 0.00 55.97 54.76 2rpq s LYS 35 Cb -0.01 -2.72 0.06 0.00 -1.01 0.00 0.00 37.83 34.15 2rpq s LYS 35 CO -0.05 0.29 1.52 0.00 0.51 0.00 0.00 175.35 177.62 2rpq h ARG 36 N 1.91 0.77 -0.95 1.68 3.08 -1.90 -3.26 114.38 115.72 2rpq h ARG 36 Ca -0.48 -0.41 -0.56 0.00 0.07 0.00 0.00 59.98 58.61 2rpq h ARG 36 Cb 1.19 0.02 -0.29 0.00 0.08 0.00 0.00 29.97 30.96 2rpq h ARG 36 CO 0.67 1.04 0.65 1.58 -1.07 0.00 0.00 179.97 182.84 2rpq n HIS 37 N -4.04 3.00 -4.25 3.04 -0.00 -1.26 -1.56 115.22 110.15 2rpq n HIS 37 Ca -0.02 -2.29 -0.18 0.00 0.46 0.00 0.00 57.72 55.70 2rpq n HIS 37 Cb 0.54 -1.09 -0.11 0.00 -0.12 0.00 0.00 29.99 29.21 2rpq n HIS 37 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2rpq s THR 38 N -3.90 1.34 0.45 3.57 -1.32 -1.23 -5.07 115.64 109.49 2rpq s THR 38 Ca 0.59 -1.76 -0.21 0.00 -1.21 0.00 0.00 61.69 59.11 2rpq s THR 38 Cb 0.48 -1.57 -0.10 0.00 -1.51 0.00 0.00 72.50 69.80 2rpq s THR 38 CO 0.06 -0.44 0.98 -2.16 -2.21 0.00 0.00 174.62 170.85 2rpq s PRO 39 N -2.76 4.08 0.57 7.08 0.04 -1.26 -4.13 135.00 138.62 2rpq s PRO 39 Ca 0.10 1.22 0.28 0.00 0.04 0.00 0.00 61.00 62.64 2rpq s PRO 39 Cb -0.04 -2.16 1.71 0.00 0.04 0.00 0.00 34.50 34.04 2rpq s PRO 39 CO 0.03 -0.17 2.21 1.37 0.04 0.00 0.00 177.00 180.48 2rpq h LEU 40 N 1.81 0.00 -1.99 -3.56 8.10 -1.62 -2.34 115.31 115.72 2rpq h LEU 40 Ca -0.49 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.69 2rpq h LEU 40 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.39 2rpq h LEU 40 CO 0.60 0.03 0.51 0.77 -4.11 0.00 0.00 178.44 176.24 2rpq h SER 41 N 0.00 0.00 -0.61 0.17 4.64 -1.83 -2.88 113.55 113.04 2rpq h SER 41 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2rpq h SER 41 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2rpq h SER 41 CO 0.00 0.00 0.09 0.50 -0.87 0.00 0.00 176.83 176.55 2rpq h LYS 42 N 0.00 1.02 -0.44 4.77 3.64 -1.78 0.65 116.57 124.44 2rpq h LYS 42 Ca 0.31 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2rpq h LYS 42 Cb 1.33 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2rpq h LYS 42 CO -0.00 0.96 -0.14 1.37 -2.27 0.00 0.00 179.45 179.38 2rpq h LEU 43 N 0.93 0.82 -0.76 5.20 -0.00 -1.72 -2.67 115.31 117.11 2rpq h LEU 43 Ca 0.18 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2rpq h LEU 43 Cb 0.45 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 2rpq h LEU 43 CO 0.01 0.96 0.46 -0.03 -0.00 0.00 0.00 178.44 179.85 2rpq h MET 44 N 0.73 1.02 -0.55 0.17 4.05 -1.18 0.76 114.93 119.94 2rpq h MET 44 Ca 0.12 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2rpq h MET 44 Cb 0.64 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 2rpq h MET 44 CO 0.04 0.72 0.24 -0.22 0.23 0.00 0.00 176.91 177.93 2rpq h LYS 45 N 1.03 0.81 -0.43 0.39 3.11 -0.91 -2.42 116.57 118.15 2rpq h LYS 45 Ca 0.27 -0.13 -0.08 0.00 -2.81 0.00 0.00 60.65 57.90 2rpq h LYS 45 Cb -0.04 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.03 2rpq h LYS 45 CO -0.05 0.69 -0.05 0.00 -2.81 0.00 0.00 179.45 177.23 2rpq h ALA 46 N 1.08 1.12 -0.72 5.00 0.00 -1.11 -2.60 119.26 122.04 2rpq h ALA 46 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rpq h ALA 46 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2rpq h ALA 46 CO -0.02 0.56 0.47 -0.92 0.00 0.00 0.00 179.25 179.34 2rpq h TYR 47 N 0.66 0.92 -0.73 0.00 3.20 -0.68 -1.42 116.97 118.92 2rpq h TYR 47 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2rpq h TYR 47 Cb 0.48 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2rpq h TYR 47 CO 0.02 0.59 0.37 0.00 -1.64 0.00 0.00 178.16 177.50 2rpq h GLU 49 N 1.02 0.30 -0.00 0.00 5.08 -1.22 -2.91 114.58 116.84 2rpq h GLU 49 Ca 0.25 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 2rpq h GLU 49 Cb 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2rpq h GLU 49 CO -0.03 0.50 -0.73 0.00 -1.00 0.00 0.00 179.01 177.75 2rpq h ARG 50 N 0.05 0.50 -0.21 2.33 3.08 -1.19 -3.39 114.38 115.54 2rpq h ARG 50 Ca 0.05 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2rpq h ARG 50 Cb 0.36 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2rpq h ARG 50 CO 0.01 1.17 0.00 1.04 -1.07 0.00 0.00 179.97 181.12 2rpq n GLN 51 N -4.11 2.82 -2.54 0.04 1.13 0.30 -5.00 117.38 110.01 2rpq n GLN 51 Ca -0.11 -2.02 -0.04 0.00 -1.94 0.00 0.00 57.00 52.89 2rpq n GLN 51 Cb 0.73 -1.28 0.02 0.00 0.11 0.00 0.00 30.24 29.82 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 -0.04 0.54 3.35 1.08 0.00 -1.11 -4.97 105.19 104.04 2rpq n GLY 52 Ca 0.10 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.39 2.47 -0.18 0.99 1.43 -1.15 -5.07 118.68 114.79 2rpq s LEU 53 Ca 0.07 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.18 2rpq s LEU 53 Cb -0.03 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2rpq s LEU 53 CO 0.13 -0.05 0.09 -0.44 0.23 0.00 0.00 176.35 176.32 2rpq s SER 54 N -2.86 5.89 0.53 2.29 0.01 -1.26 -4.58 113.70 113.71 2rpq s SER 54 Ca 0.19 0.17 0.28 0.00 1.31 0.00 0.00 55.95 57.90 2rpq s SER 54 Cb -0.05 -2.00 1.46 0.00 0.21 0.00 0.00 66.02 65.65 2rpq s SER 54 CO 0.08 0.21 2.07 0.00 0.41 0.00 0.00 173.24 176.01 2rpq h MET 55 N 6.45 0.00 -0.01 12.44 -0.00 -1.92 -1.34 114.93 130.56 2rpq h MET 55 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 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 0.71 0.11 -0.17 2.89 -0.00 0.00 0.00 176.91 180.45 2rpq n ARG 56 N -3.61 1.08 -0.01 -0.10 1.85 -1.26 -3.84 116.66 110.78 2rpq n ARG 56 Ca -0.02 -0.61 0.10 0.00 -1.00 0.00 0.00 57.85 56.32 2rpq n ARG 56 Cb 0.24 -1.49 -0.14 0.00 -1.05 0.00 0.00 32.46 30.02 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 -0.43 0.50 -4.45 2.89 6.02 -0.52 -4.80 117.38 116.60 2rpq n GLN 57 Ca 0.14 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 2rpq n GLN 57 Cb 0.34 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.01 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 -3.23 3.10 0.04 5.09 -4.36 -1.16 -0.70 121.20 119.99 2rpq s ILE 58 Ca -0.01 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 2rpq s ILE 58 Cb 0.14 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 2rpq s ILE 58 CO 0.85 0.25 -0.06 -0.13 0.24 0.00 0.00 174.94 176.10 2rpq s ARG 59 N -1.76 0.50 0.07 0.37 1.81 -0.39 -4.87 118.95 114.67 2rpq s ARG 59 Ca 0.17 -0.82 0.04 0.00 -1.72 0.00 0.00 55.73 53.40 2rpq s ARG 59 Cb -0.11 -0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.26 2rpq s ARG 59 CO 0.09 -0.01 -0.02 -0.06 -0.68 0.00 0.00 175.30 174.62 2rpq s PHE 60 N -1.94 2.96 0.00 -0.53 0.08 -1.26 -1.11 117.98 116.18 2rpq s PHE 60 Ca -0.08 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.95 2rpq s PHE 60 Cb -0.06 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2rpq s PHE 60 CO -0.02 0.46 -0.01 0.50 -0.10 0.00 0.00 175.22 176.05 2rpq s ARG 61 N -2.09 0.07 -0.17 0.44 3.52 0.27 -3.21 118.95 117.77 2rpq s ARG 61 Ca 0.23 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2rpq s ARG 61 Cb -0.12 -0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.29 2rpq s ARG 61 CO 0.15 0.01 -0.08 0.12 -0.81 0.00 0.00 175.30 174.69 2rpq s PHE 62 N -0.15 1.97 -1.38 5.12 5.36 -0.11 -1.82 117.98 126.97 2rpq s PHE 62 Ca -0.01 -1.24 -0.10 0.00 -0.96 0.00 0.00 56.93 54.62 2rpq s PHE 62 Cb -0.01 -1.45 0.02 0.00 -0.34 0.00 0.00 43.02 41.24 2rpq s PHE 62 CO -0.00 -0.66 1.16 -3.47 -1.46 0.00 0.00 175.22 170.80 2rpq n ASP 63 N 4.81 -6.17 0.00 6.13 2.03 -1.26 -1.06 116.55 121.02 2rpq n ASP 63 Ca -0.13 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2rpq n ASP 63 Cb 0.48 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 35.98 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 -1.97 0.74 3.36 0.27 0.00 -1.26 -5.04 105.19 101.29 2rpq n GLY 64 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.04 2.60 0.32 1.61 -0.21 -0.23 -5.11 119.66 118.62 2rpq s GLN 65 Ca 0.00 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.28 2rpq s GLN 65 Cb 0.00 -2.29 -0.12 0.00 1.00 0.00 0.00 33.01 31.60 2rpq s GLN 65 CO 0.00 0.46 1.49 -2.30 -2.12 0.00 0.00 175.29 172.82 2rpq n PRO 66 N 2.76 2.53 -5.06 2.91 -0.02 -1.26 -0.94 135.00 135.92 2rpq n PRO 66 Ca -0.17 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 2rpq n PRO 66 Cb 0.52 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 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 -0.55 2.54 0.31 4.25 -4.36 -1.20 -4.84 121.20 117.36 2rpq s ILE 67 Ca 0.59 -0.89 0.06 0.00 -0.26 0.00 0.00 60.65 60.16 2rpq s ILE 67 Cb -0.52 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 2rpq s ILE 67 CO 0.56 0.57 0.43 0.20 0.24 0.00 0.00 174.94 176.93 2rpq s ASN 68 N -0.23 5.99 0.39 4.36 0.01 -1.26 -4.68 114.94 119.52 2rpq s ASN 68 Ca -0.00 -0.15 0.28 0.00 -0.71 0.00 0.00 52.86 52.27 2rpq s ASN 68 Cb -0.13 -1.36 1.02 0.00 0.41 0.00 0.00 41.25 41.19 2rpq s ASN 68 CO 0.03 -0.33 1.81 -0.33 -1.51 0.00 0.00 177.10 176.77 2rpq h GLU 69 N 1.00 0.00 0.00 -0.60 5.08 -2.00 -0.49 114.58 117.56 2rpq h GLU 69 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 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 0.55 0.00 0.00 1.15 -1.00 0.00 0.00 179.01 179.71 2rpq h THR 70 N 0.00 0.00 -4.32 1.13 2.02 -1.99 -3.37 112.91 106.38 2rpq h THR 70 Ca 0.00 -0.91 -0.46 0.00 0.77 0.00 0.00 66.41 65.81 2rpq h THR 70 Cb 0.56 1.91 0.13 0.00 -1.74 0.00 0.00 68.15 69.01 2rpq h THR 70 CO 0.00 0.00 0.33 -1.81 0.37 0.00 0.00 175.52 174.41 2rpq s ASP 71 N -6.07 3.70 0.09 4.18 1.01 -0.19 -4.91 116.67 114.49 2rpq s ASP 71 Ca 0.06 0.86 -0.11 0.00 0.71 0.00 0.00 52.55 54.07 2rpq s ASP 71 Cb 0.06 -1.37 0.01 0.00 1.01 0.00 0.00 42.92 42.63 2rpq s ASP 71 CO 0.65 -2.42 0.26 0.42 0.21 0.00 0.00 175.17 174.30 2rpq s THR 72 N -3.40 0.11 0.39 -1.27 -4.23 -1.26 -2.06 115.64 103.93 2rpq s THR 72 Ca 0.64 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2rpq s THR 72 Cb -0.13 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 72.79 2rpq s THR 72 CO 0.52 -0.51 1.99 -0.65 -0.54 0.00 0.00 174.62 175.43 2rpq h PRO 73 N 2.74 0.61 -0.28 3.99 0.11 -1.71 -2.00 132.00 135.45 2rpq h PRO 73 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 2rpq h PRO 73 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2rpq h PRO 73 CO 0.52 0.40 0.05 0.00 -0.21 0.00 0.00 178.00 178.76 2rpq h ALA 74 N 1.66 0.37 -0.33 -0.75 0.00 -1.61 -0.51 119.26 118.09 2rpq h ALA 74 Ca 0.26 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2rpq h ALA 74 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rpq h ALA 74 CO -0.08 0.05 -0.22 1.96 0.00 0.00 0.00 179.25 180.96 2rpq h GLN 75 N 0.28 0.73 -0.00 0.00 4.20 -1.81 -3.09 115.11 115.42 2rpq h GLN 75 Ca 0.09 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2rpq h GLN 75 Cb 0.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2rpq h GLN 75 CO 0.00 0.96 -0.25 -0.11 -0.67 0.00 0.00 178.83 178.76 2rpq n LEU 76 N -4.28 0.39 -2.58 1.46 -0.00 -0.76 -4.95 117.00 106.27 2rpq n LEU 76 Ca -0.03 0.12 -0.14 0.00 -0.00 0.00 0.00 56.01 55.97 2rpq n LEU 76 Cb 0.43 -0.30 0.06 0.00 -0.00 0.00 0.00 43.42 43.61 2rpq n LEU 76 CO 0.44 0.09 0.13 -0.62 -0.00 0.00 0.00 177.39 177.42 2rpq n GLU 77 N -1.32 -4.93 -1.40 1.96 1.02 -0.39 -5.03 120.64 110.56 2rpq n GLU 77 Ca 0.08 0.56 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 2rpq n GLU 77 Cb 0.32 -4.75 0.10 0.00 -0.02 0.00 0.00 31.44 27.09 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 -5.45 2.08 0.53 3.49 -1.94 -0.34 -5.03 119.30 112.63 2rpq s MET 78 Ca 0.22 1.77 0.04 0.00 -1.71 0.00 0.00 55.69 56.01 2rpq s MET 78 Cb -0.10 -1.82 0.02 0.00 2.01 0.00 0.00 34.83 34.94 2rpq s MET 78 CO 0.49 -1.88 0.26 -1.21 -0.01 0.00 0.00 175.02 172.67 2rpq s GLU 79 N -3.93 2.24 0.58 2.03 2.02 -1.26 -4.91 118.70 115.47 2rpq s GLU 79 Ca 0.74 -2.14 0.28 0.00 0.02 0.00 0.00 54.97 53.88 2rpq s GLU 79 Cb -0.29 -1.91 1.53 0.00 0.10 0.00 0.00 34.13 33.55 2rpq s GLU 79 CO 0.46 -0.52 1.98 0.38 0.02 0.00 0.00 175.26 177.58 2rpq h ASP 80 N 0.97 0.00 -1.88 -0.19 2.03 -1.96 -3.10 116.42 112.29 2rpq h ASP 80 Ca -0.39 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.43 2rpq h ASP 80 Cb 1.31 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.40 2rpq h ASP 80 CO 0.63 0.00 -1.15 -0.62 -1.03 0.00 0.00 179.24 177.07 2rpq n GLU 81 N -3.86 1.19 -1.25 4.15 1.02 -1.04 -0.53 120.64 120.33 2rpq n GLU 81 Ca 0.06 -3.49 -0.31 0.00 -0.02 0.00 0.00 57.16 53.41 2rpq n GLU 81 Cb 0.54 -1.69 0.11 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.62 4.19 -0.15 1.62 2.15 -0.70 -4.75 116.67 116.41 2rpq s ASP 82 Ca 0.39 1.71 -0.00 0.00 0.43 0.00 0.00 52.55 55.08 2rpq s ASP 82 Cb 0.36 -2.41 0.04 0.00 -0.30 0.00 0.00 42.92 40.61 2rpq s ASP 82 CO -0.07 -2.22 -0.06 -0.89 -0.17 0.00 0.00 175.17 171.76 2rpq s THR 83 N -2.92 1.10 -0.01 1.71 2.01 -1.26 -0.34 115.64 115.94 2rpq s THR 83 Ca 0.62 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2rpq s THR 83 Cb -0.17 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2rpq s THR 83 CO 0.56 0.19 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.80 2rpq s ILE 84 N 1.65 1.99 -0.00 1.82 -1.09 -0.46 -4.98 121.20 120.13 2rpq s ILE 84 Ca 0.02 -1.13 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 2rpq s ILE 84 Cb -0.15 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 2rpq s ILE 84 CO -0.08 0.51 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.46 2rpq s ASP 85 N -0.72 4.62 -0.19 3.58 2.15 -0.75 -0.99 116.67 124.36 2rpq s ASP 85 Ca 0.10 -0.14 -0.05 0.00 0.43 0.00 0.00 52.55 52.90 2rpq s ASP 85 Cb -0.10 -1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 41.42 2rpq s ASP 85 CO -0.00 0.29 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.58 2rpq s VAL 86 N -0.98 3.94 -0.09 1.11 1.01 -0.75 -0.57 120.40 124.06 2rpq s VAL 86 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2rpq s VAL 86 Cb -0.11 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2rpq s VAL 86 CO 0.07 0.45 -0.13 0.12 0.00 0.00 0.00 175.10 175.61 2rpq s PHE 87 N 0.80 2.79 -0.21 5.22 5.36 -0.27 -4.69 117.98 126.98 2rpq s PHE 87 Ca -0.00 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 2rpq s PHE 87 Cb -0.14 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.76 2rpq s PHE 87 CO 0.02 0.00 0.04 -1.14 -1.46 0.00 0.00 175.22 172.68 2rpq s GLN 88 N -0.18 3.73 -0.00 10.12 0.74 -1.26 -1.27 119.66 131.54 2rpq s GLN 88 Ca 0.00 -0.46 0.12 0.00 0.05 0.00 0.00 55.36 55.07 2rpq s GLN 88 Cb -0.13 -3.20 -0.13 0.00 1.10 0.00 0.00 33.01 30.64 2rpq s GLN 88 CO 0.03 0.02 0.49 1.04 -0.55 0.00 0.00 175.29 176.32 2rpq n GLN 89 N 4.27 2.84 0.00 1.67 1.13 0.13 -5.00 117.38 122.41 2rpq n GLN 89 Ca -0.17 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 2rpq n GLN 89 Cb 0.52 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.78 2rpq n GLN 89 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2rpq n GLN 90 N -1.33 0.00 -2.98 -1.09 7.27 -0.79 -3.16 117.38 115.30 2rpq n GLN 90 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.97 2rpq n GLN 90 Cb 0.20 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.91 2rpq n GLN 90 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2rpq n THR 91 N 0.00 -5.26 0.04 1.69 -1.04 -1.26 -4.98 114.28 103.46 2rpq n THR 91 Ca 0.00 -0.57 0.04 0.00 -2.04 0.00 0.00 64.05 61.48 2rpq n THR 91 Cb 0.00 -4.75 -0.06 0.00 -1.82 0.00 0.00 70.33 63.71 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rpq n GLY 92 N -1.16 -0.28 0.00 3.41 0.00 -1.19 -5.25 105.19 100.72 2rpq n GLY 92 Ca -0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93