#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 0.56 -6.78 3.04 0.00 -2.11 -3.48 119.26 110.50 2rpq h ALA 2 Ca 0.00 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.14 2rpq h ALA 2 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2rpq h ALA 2 CO 0.00 0.26 -0.96 -0.25 0.00 0.00 0.00 179.25 178.30 2rpq n ASP 3 N -4.52 -2.02 -0.76 0.00 8.00 -1.26 -4.51 116.55 111.49 2rpq n ASP 3 Ca -0.00 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2rpq n ASP 3 Cb 0.22 -2.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 2rpq n ASP 3 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2rpq n GLU 4 N -4.65 -1.46 -1.95 -1.24 4.07 -1.26 -4.97 120.64 109.18 2rpq n GLU 4 Ca -0.21 1.27 -0.42 0.00 -0.06 0.00 0.00 57.16 57.73 2rpq n GLU 4 Cb 0.63 -1.13 -0.03 0.00 -0.06 0.00 0.00 31.44 30.86 2rpq n GLU 4 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2rpq s LYS 5 N -2.81 4.22 0.01 5.31 2.20 -1.26 -4.95 119.74 122.46 2rpq s LYS 5 Ca 0.00 2.34 -0.32 0.00 -0.36 0.00 0.00 55.97 57.63 2rpq s LYS 5 Cb 0.00 -3.15 -0.11 0.00 -1.51 0.00 0.00 37.83 33.06 2rpq s LYS 5 CO 0.00 -0.58 1.90 -2.30 -0.36 0.00 0.00 175.35 174.00 2rpq n PRO 6 N 3.80 2.56 0.09 4.03 -0.02 -1.26 -4.92 135.00 139.28 2rpq n PRO 6 Ca 0.13 0.94 -0.16 0.00 -2.02 0.00 0.00 63.50 62.39 2rpq n PRO 6 Cb 0.39 -2.83 -0.09 0.00 -0.02 0.00 0.00 33.50 30.95 2rpq n PRO 6 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2rpq h LYS 7 N 9.49 0.40 -0.33 -0.52 2.10 -1.96 -3.37 116.57 122.39 2rpq h LYS 7 Ca -0.49 -0.52 -0.16 0.00 -2.00 0.00 0.00 60.65 57.48 2rpq h LYS 7 Cb 1.25 0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.75 2rpq h LYS 7 CO 0.94 1.19 -0.44 0.93 -2.00 0.00 0.00 179.45 180.08 2rpq h GLU 8 N 0.18 0.86 0.00 0.07 5.08 -2.04 -3.33 114.58 115.41 2rpq h GLU 8 Ca -0.12 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2rpq h GLU 8 Cb 1.77 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2rpq h GLU 8 CO 0.19 1.12 0.00 0.41 -1.00 0.00 0.00 179.01 179.73 2rpq n GLY 9 N 0.18 -1.67 3.87 -3.84 0.00 -1.26 -4.82 105.19 97.65 2rpq n GLY 9 Ca -0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2rpq n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rpq s VAL 10 N -3.11 5.26 0.14 1.61 0.11 -1.25 -5.11 120.40 118.05 2rpq s VAL 10 Ca 0.10 0.35 0.06 0.00 -2.93 0.00 0.00 61.98 59.57 2rpq s VAL 10 Cb 0.12 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 2rpq s VAL 10 CO 0.58 0.45 -0.14 -1.59 -3.33 0.00 0.00 175.10 171.07 2rpq s LYS 11 N -1.48 1.11 -0.06 1.54 -2.85 -1.26 -5.03 119.74 111.70 2rpq s LYS 11 Ca 0.25 -1.33 0.20 0.00 -1.00 0.00 0.00 55.97 54.08 2rpq s LYS 11 Cb -0.14 -0.97 0.68 0.00 -2.06 0.00 0.00 37.83 35.35 2rpq s LYS 11 CO 0.13 0.18 1.58 0.25 0.10 0.00 0.00 175.35 177.60 2rpq n THR 12 N 0.30 1.43 -1.76 3.79 -2.24 -1.26 -5.00 114.28 109.54 2rpq n THR 12 Ca -0.14 -1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 60.15 2rpq n THR 12 Cb 0.58 0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2rpq n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rpq n GLU 13 N 1.36 2.64 0.06 -0.78 1.02 -1.26 -4.92 120.64 118.76 2rpq n GLU 13 Ca 0.25 0.93 0.02 0.00 -0.02 0.00 0.00 57.16 58.34 2rpq n GLU 13 Cb 0.76 -2.66 0.36 0.00 -0.02 0.00 0.00 31.44 29.88 2rpq n GLU 13 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2rpq h ASN 14 N 3.37 0.35 -2.57 1.62 -0.73 -2.04 -3.18 115.58 112.41 2rpq h ASN 14 Ca -0.49 -0.06 -0.76 0.00 1.87 0.00 0.00 56.30 56.86 2rpq h ASN 14 Cb 1.24 -0.09 -0.31 0.00 0.27 0.00 0.00 38.32 39.43 2rpq h ASN 14 CO 0.68 0.45 0.51 0.59 -0.37 0.00 0.00 177.43 179.28 2rpq n ASN 15 N -4.30 6.09 -3.76 1.15 4.13 -1.26 -4.87 115.26 112.45 2rpq n ASN 15 Ca 0.00 -3.52 -0.13 0.00 1.68 0.00 0.00 54.58 52.62 2rpq n ASN 15 Cb 0.24 -1.08 -0.13 0.00 -1.54 0.00 0.00 39.78 37.27 2rpq n ASN 15 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2rpq s ASP 16 N -1.95 -0.21 0.89 6.41 2.15 -1.20 -5.17 116.67 117.60 2rpq s ASP 16 Ca 0.36 0.43 -0.11 0.00 0.43 0.00 0.00 52.55 53.67 2rpq s ASP 16 Cb 0.12 0.36 0.13 0.00 -0.30 0.00 0.00 42.92 43.23 2rpq s ASP 16 CO 0.01 -0.13 1.11 -1.38 -0.17 0.00 0.00 175.17 174.61 2rpq s HIS 17 N 0.81 2.01 0.07 -5.34 -3.43 -1.26 -4.85 115.29 103.30 2rpq s HIS 17 Ca -0.06 1.57 -0.00 0.00 -0.80 0.00 0.00 55.06 55.77 2rpq s HIS 17 Cb -0.07 -3.19 -0.04 0.00 -1.43 0.00 0.00 32.58 27.84 2rpq s HIS 17 CO -0.05 -2.53 -0.03 0.96 -2.00 0.00 0.00 174.74 171.09 2rpq s ILE 18 N -2.76 0.33 0.04 -5.38 -4.36 -0.01 -4.99 121.20 104.08 2rpq s ILE 18 Ca 0.65 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 59.26 2rpq s ILE 18 Cb -0.20 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 2rpq s ILE 18 CO 0.58 -0.89 -0.22 0.20 0.24 0.00 0.00 174.94 174.85 2rpq s ASN 19 N -2.97 3.54 0.16 4.36 0.01 0.51 -0.40 114.94 120.15 2rpq s ASN 19 Ca 0.11 -0.50 0.07 0.00 -0.71 0.00 0.00 52.86 51.83 2rpq s ASN 19 Cb 0.07 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 2rpq s ASN 19 CO -0.07 0.26 -0.15 -1.48 -1.51 0.00 0.00 177.10 174.15 2rpq s LEU 20 N -1.37 2.48 0.14 0.60 2.34 -0.23 -1.85 118.68 120.78 2rpq s LEU 20 Ca 0.13 -0.91 0.11 0.00 0.06 0.00 0.00 54.13 53.52 2rpq s LEU 20 Cb -0.10 -0.65 -0.04 0.00 -0.56 0.00 0.00 46.19 44.84 2rpq s LEU 20 CO 0.04 -0.14 -0.26 -1.59 -1.06 0.00 0.00 176.35 173.34 2rpq s LYS 21 N -3.13 1.39 -0.17 1.48 -2.85 0.39 -0.28 119.74 116.57 2rpq s LYS 21 Ca 0.16 -1.36 0.01 0.00 -1.00 0.00 0.00 55.97 53.78 2rpq s LYS 21 Cb -0.03 -1.85 0.01 0.00 -2.06 0.00 0.00 37.83 33.90 2rpq s LYS 21 CO 0.05 0.43 -0.18 0.08 0.10 0.00 0.00 175.35 175.83 2rpq s VAL 22 N -1.16 2.32 -0.08 1.79 1.01 0.05 -0.92 120.40 123.40 2rpq s VAL 22 Ca 0.14 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2rpq s VAL 22 Cb -0.10 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 2rpq s VAL 22 CO 0.06 0.52 -0.23 0.00 0.00 0.00 0.00 175.10 175.46 2rpq s ALA 23 N 1.12 2.05 0.00 5.51 0.00 0.28 -1.68 121.76 129.05 2rpq s ALA 23 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2rpq s ALA 23 Cb -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2rpq s ALA 23 CO -0.07 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.40 2rpq n GLY 24 N 3.38 3.15 4.27 0.00 0.00 -0.33 -1.53 105.19 114.14 2rpq n GLY 24 Ca -0.19 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2rpq n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rpq n GLN 25 N 0.00 -1.93 -2.34 1.61 6.02 -1.26 -1.44 117.38 118.03 2rpq n GLN 25 Ca 0.00 0.24 -0.17 0.00 -0.01 0.00 0.00 57.00 57.06 2rpq n GLN 25 Cb 0.00 -4.43 -0.01 0.00 1.02 0.00 0.00 30.24 26.82 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2rpq n ASP 26 N -2.75 -4.92 0.00 1.08 8.00 -1.26 -3.37 116.55 113.33 2rpq n ASP 26 Ca -0.12 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2rpq n ASP 26 Cb 0.59 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 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 -1.04 1.55 3.47 0.44 0.00 -0.52 -5.13 105.19 103.97 2rpq n GLY 27 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 3.91 0.01 1.61 0.01 -0.55 -4.98 113.70 111.71 2rpq s SER 28 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2rpq s SER 28 Cb 0.00 -0.67 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2rpq s SER 28 CO 0.00 0.26 -0.02 0.54 0.41 0.00 0.00 173.24 174.43 2rpq s VAL 29 N -0.93 0.07 -0.02 3.43 0.11 -1.26 -1.18 120.40 120.62 2rpq s VAL 29 Ca 0.15 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2rpq s VAL 29 Cb -0.11 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2rpq s VAL 29 CO 0.06 -0.23 -0.14 0.54 -3.33 0.00 0.00 175.10 171.99 2rpq s VAL 30 N -0.70 1.11 0.05 2.04 0.11 -0.67 -4.99 120.40 117.35 2rpq s VAL 30 Ca -0.07 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2rpq s VAL 30 Cb -0.05 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2rpq s VAL 30 CO -0.00 0.32 -0.24 0.00 -3.33 0.00 0.00 175.10 171.84 2rpq s GLN 31 N -0.20 1.84 -0.00 1.54 1.03 -1.26 -0.77 119.66 121.83 2rpq s GLN 31 Ca 0.03 -1.10 0.03 0.00 0.04 0.00 0.00 55.36 54.36 2rpq s GLN 31 Cb -0.07 -2.03 -0.01 0.00 0.03 0.00 0.00 33.01 30.94 2rpq s GLN 31 CO -0.00 0.51 -0.09 -0.06 -2.54 0.00 0.00 175.29 173.11 2rpq s PHE 32 N -0.86 0.83 -0.25 9.60 0.40 0.61 -4.97 117.98 123.34 2rpq s PHE 32 Ca 0.13 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 2rpq s PHE 32 Cb -0.10 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2rpq s PHE 32 CO 0.03 -0.01 0.04 0.21 0.70 0.00 0.00 175.22 176.19 2rpq s LYS 33 N -0.31 3.41 0.04 0.44 2.20 -1.26 -1.07 119.74 123.19 2rpq s LYS 33 Ca 0.03 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 2rpq s LYS 33 Cb -0.04 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2rpq s LYS 33 CO -0.00 -0.26 0.24 -1.50 -0.36 0.00 0.00 175.35 173.46 2rpq s ILE 34 N 1.54 0.10 0.28 5.43 2.07 0.47 -5.00 121.20 126.08 2rpq s ILE 34 Ca 0.05 -0.81 0.11 0.00 -1.41 0.00 0.00 60.65 58.59 2rpq s ILE 34 Cb -0.15 -0.91 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 2rpq s ILE 34 CO 0.01 -0.45 -0.12 -0.54 -1.91 0.00 0.00 174.94 171.94 2rpq s LYS 35 N -2.54 1.92 0.27 3.50 3.01 -1.26 -0.83 119.74 123.83 2rpq s LYS 35 Ca -0.05 -1.64 -0.03 0.00 -1.01 0.00 0.00 55.97 53.24 2rpq s LYS 35 Cb -0.01 -1.92 0.36 0.00 -1.01 0.00 0.00 37.83 35.25 2rpq s LYS 35 CO -0.04 0.33 1.87 -0.09 0.51 0.00 0.00 175.35 177.94 2rpq h ARG 36 N 2.11 1.01 0.00 1.68 2.43 -1.89 -2.70 114.38 117.02 2rpq h ARG 36 Ca -0.42 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 58.53 2rpq h ARG 36 Cb 1.26 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2rpq h ARG 36 CO 0.61 0.79 -0.37 1.25 -1.51 0.00 0.00 179.97 180.73 2rpq h HIS 37 N 1.01 0.00 -2.69 2.20 2.76 -1.97 -3.35 115.15 113.10 2rpq h HIS 37 Ca 0.25 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.89 2rpq h HIS 37 Cb 0.11 0.00 0.04 0.00 1.55 0.00 0.00 27.41 29.11 2rpq h HIS 37 CO 0.01 0.37 0.99 0.99 -1.30 0.00 0.00 177.93 178.99 2rpq s THR 38 N -3.41 2.57 0.74 6.26 2.01 -1.02 -4.97 115.64 117.82 2rpq s THR 38 Ca 0.01 0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 2rpq s THR 38 Cb 0.10 -3.18 0.04 0.00 0.01 0.00 0.00 72.50 69.47 2rpq s THR 38 CO 0.69 0.01 1.10 -2.16 -0.69 0.00 0.00 174.62 173.57 2rpq s PRO 39 N 1.86 2.42 0.59 4.92 0.04 -1.26 -4.24 135.00 139.33 2rpq s PRO 39 Ca 0.74 1.24 0.29 0.00 0.04 0.00 0.00 61.00 63.31 2rpq s PRO 39 Cb -0.45 -1.91 1.78 0.00 0.04 0.00 0.00 34.50 33.96 2rpq s PRO 39 CO 0.33 -1.52 2.22 1.37 0.04 0.00 0.00 177.00 179.44 2rpq h LEU 40 N -0.77 0.00 -1.99 -3.56 8.10 -1.47 -1.70 115.31 113.92 2rpq h LEU 40 Ca -0.44 0.00 0.19 0.00 0.11 0.00 0.00 57.88 57.74 2rpq h LEU 40 Cb 1.24 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.43 2rpq h LEU 40 CO 0.52 0.00 0.51 -1.28 -4.11 0.00 0.00 178.44 174.08 2rpq h SER 41 N 0.00 0.00 -0.42 0.17 0.87 -1.80 -2.31 113.55 110.05 2rpq h SER 41 Ca 0.02 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2rpq h SER 41 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2rpq h SER 41 CO -0.00 0.00 0.02 0.50 -0.53 0.00 0.00 176.83 176.82 2rpq h LYS 42 N 0.00 0.74 -0.04 2.24 1.63 -1.64 0.08 116.57 119.58 2rpq h LYS 42 Ca 0.31 -0.23 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 2rpq h LYS 42 Cb 1.33 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2rpq h LYS 42 CO -0.00 0.80 -0.51 1.37 -3.45 0.00 0.00 179.45 177.66 2rpq h LEU 43 N 0.58 0.12 -0.41 5.20 -0.00 -1.64 -0.68 115.31 118.48 2rpq h LEU 43 Ca 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2rpq h LEU 43 Cb 0.46 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2rpq h LEU 43 CO 0.02 0.61 0.26 -0.03 -0.00 0.00 0.00 178.44 179.30 2rpq h MET 44 N 0.09 0.54 -0.55 0.17 4.05 -1.13 0.13 114.93 118.23 2rpq h MET 44 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2rpq h MET 44 Cb 0.93 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 2rpq h MET 44 CO 0.07 0.37 0.30 -0.22 0.23 0.00 0.00 176.91 177.66 2rpq h LYS 45 N 0.55 0.77 -0.31 0.39 1.63 -0.90 -2.75 116.57 115.94 2rpq h LYS 45 Ca 0.15 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 2rpq h LYS 45 Cb -0.05 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 2rpq h LYS 45 CO -0.03 0.60 -0.17 0.00 -3.45 0.00 0.00 179.45 176.40 2rpq h ALA 46 N 1.13 1.12 -0.49 5.00 0.00 -0.84 -0.61 119.26 124.58 2rpq h ALA 46 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2rpq h ALA 46 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2rpq h ALA 46 CO -0.03 0.55 0.22 -0.92 0.00 0.00 0.00 179.25 179.07 2rpq h TYR 47 N 0.51 0.72 -0.67 0.00 3.20 -0.67 0.15 116.97 120.21 2rpq h TYR 47 Ca 0.09 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2rpq h TYR 47 Cb 0.59 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2rpq h TYR 47 CO 0.02 0.58 0.29 0.00 -1.64 0.00 0.00 178.16 177.41 2rpq h GLU 49 N 0.94 -0.10 -0.14 0.00 5.08 -0.97 -2.19 114.58 117.19 2rpq h GLU 49 Ca 0.23 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2rpq h GLU 49 Cb 0.18 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2rpq h GLU 49 CO -0.02 0.29 -0.47 -0.09 -1.00 0.00 0.00 179.01 177.71 2rpq h ARG 50 N -0.52 0.57 -0.20 2.33 1.12 -0.71 -3.34 114.38 113.63 2rpq h ARG 50 Ca -0.01 -0.43 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 2rpq h ARG 50 Cb 0.44 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2rpq h ARG 50 CO 0.02 1.05 0.00 1.04 -3.11 0.00 0.00 179.97 178.97 2rpq n GLN 51 N -4.22 2.10 -0.82 0.20 1.13 -0.20 -5.01 117.38 110.56 2rpq n GLN 51 Ca -0.07 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 2rpq n GLN 51 Cb 0.58 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 0.38 0.81 3.84 1.08 0.00 -0.83 -4.95 105.19 105.52 2rpq n GLY 52 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 2.56 -0.19 0.99 1.43 -1.20 -4.97 118.68 117.30 2rpq s LEU 53 Ca 0.00 1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 54.13 2rpq s LEU 53 Cb 0.00 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2rpq s LEU 53 CO 0.00 -1.89 0.09 -0.44 0.23 0.00 0.00 176.35 174.34 2rpq s SER 54 N -4.16 5.85 0.57 2.29 0.01 -1.26 -4.54 113.70 112.45 2rpq s SER 54 Ca 0.61 0.13 0.35 0.00 1.31 0.00 0.00 55.95 58.34 2rpq s SER 54 Cb -0.13 -2.02 1.64 0.00 0.21 0.00 0.00 66.02 65.72 2rpq s SER 54 CO 0.53 0.16 2.10 0.00 0.41 0.00 0.00 173.24 176.44 2rpq h MET 55 N 6.77 0.00 0.00 12.44 -0.00 -1.94 -1.49 114.93 130.71 2rpq h MET 55 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.32 2rpq h MET 55 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 2rpq h MET 55 CO 0.72 0.04 0.00 0.07 -0.00 0.00 0.00 176.91 177.74 2rpq h ARG 56 N 0.00 0.00 0.00 -0.10 0.11 -1.97 -3.31 114.38 109.11 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 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2rpq h ARG 56 CO 0.01 0.00 -1.24 1.04 0.10 0.00 0.00 179.97 179.87 2rpq n GLN 57 N -2.76 0.43 -5.20 0.08 6.02 -0.56 -4.58 117.38 110.80 2rpq n GLN 57 Ca 0.04 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 2rpq n GLN 57 Cb 0.44 -1.62 -0.16 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.30 2.08 0.05 5.09 -4.36 -1.21 -1.03 121.20 118.52 2rpq s ILE 58 Ca 0.00 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 2rpq s ILE 58 Cb 0.13 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 2rpq s ILE 58 CO 0.83 0.52 -0.05 -0.13 0.24 0.00 0.00 174.94 176.35 2rpq s ARG 59 N -0.78 0.55 0.08 0.37 1.81 -0.83 -4.88 118.95 115.28 2rpq s ARG 59 Ca 0.10 -0.97 0.07 0.00 -1.72 0.00 0.00 55.73 53.21 2rpq s ARG 59 Cb -0.10 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 2rpq s ARG 59 CO -0.00 -0.04 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.41 2rpq s PHE 60 N -2.60 2.73 0.07 -0.53 0.08 -1.26 -1.01 117.98 115.46 2rpq s PHE 60 Ca -0.02 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2rpq s PHE 60 Cb -0.02 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2rpq s PHE 60 CO -0.04 0.40 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.45 2rpq s ARG 61 N -2.02 0.69 -0.05 0.44 1.70 0.24 -2.88 118.95 117.06 2rpq s ARG 61 Ca 0.20 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.27 2rpq s ARG 61 Cb -0.11 -0.06 0.03 0.00 -0.57 0.00 0.00 34.95 34.24 2rpq s ARG 61 CO 0.12 -0.04 0.02 0.12 -1.08 0.00 0.00 175.30 174.44 2rpq s PHE 62 N -3.31 0.39 -1.45 5.89 5.36 0.27 -2.19 117.98 122.94 2rpq s PHE 62 Ca 0.06 0.02 -0.11 0.00 -0.96 0.00 0.00 56.93 55.93 2rpq s PHE 62 Cb 0.03 -0.63 0.05 0.00 -0.34 0.00 0.00 43.02 42.13 2rpq s PHE 62 CO -0.06 -0.25 1.07 -3.47 -1.46 0.00 0.00 175.22 171.06 2rpq n ASP 63 N 5.08 -5.44 0.00 6.13 2.03 -1.26 -1.27 116.55 121.82 2rpq n ASP 63 Ca -0.08 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.56 2rpq n ASP 63 Cb 0.50 -4.42 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 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 -1.83 0.77 3.40 0.27 0.00 -1.26 -5.03 105.19 101.51 2rpq n GLY 64 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.10 2.35 0.34 1.61 -0.21 -0.40 -5.10 119.66 118.16 2rpq s GLN 65 Ca 0.00 -0.80 -0.27 0.00 0.02 0.00 0.00 55.36 54.32 2rpq s GLN 65 Cb 0.00 -2.24 -0.09 0.00 1.00 0.00 0.00 33.01 31.68 2rpq s GLN 65 CO 0.00 0.59 1.10 -1.25 -2.12 0.00 0.00 175.29 173.61 2rpq s PRO 66 N -0.66 4.37 0.08 2.91 0.04 -1.26 -0.56 135.00 139.92 2rpq s PRO 66 Ca 0.10 1.73 0.09 0.00 0.04 0.00 0.00 61.00 62.96 2rpq s PRO 66 Cb -0.10 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 2rpq s PRO 66 CO 0.00 -0.01 -0.22 0.96 0.04 0.00 0.00 177.00 177.77 2rpq s ILE 67 N -1.36 2.55 0.27 0.56 -4.36 -1.14 -4.86 121.20 112.85 2rpq s ILE 67 Ca 0.51 -1.42 0.08 0.00 -0.26 0.00 0.00 60.65 59.56 2rpq s ILE 67 Cb -0.29 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 2rpq s ILE 67 CO 0.37 0.24 0.12 0.20 0.24 0.00 0.00 174.94 176.10 2rpq s ASN 68 N -1.68 5.05 0.24 4.36 0.01 -1.26 -4.70 114.94 116.96 2rpq s ASN 68 Ca 0.15 -0.46 0.23 0.00 -0.71 0.00 0.00 52.86 52.06 2rpq s ASN 68 Cb -0.10 -1.11 0.95 0.00 0.41 0.00 0.00 41.25 41.40 2rpq s ASN 68 CO 0.06 -0.05 1.69 -0.62 -1.51 0.00 0.00 177.10 176.66 2rpq n GLU 69 N -1.07 0.18 -0.02 -0.60 1.02 -1.26 -0.68 120.64 118.21 2rpq n GLU 69 Ca -0.07 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.61 2rpq n GLU 69 Cb 0.59 -1.84 0.14 0.00 -0.02 0.00 0.00 31.44 30.30 2rpq n GLU 69 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2rpq n THR 70 N -2.18 0.04 -1.67 2.62 -1.04 -1.26 -3.33 114.28 107.47 2rpq n THR 70 Ca 0.02 -0.51 -0.29 0.00 -2.04 0.00 0.00 64.05 61.24 2rpq n THR 70 Cb 0.22 1.39 0.11 0.00 -1.82 0.00 0.00 70.33 70.23 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 -1.95 4.05 0.17 8.00 1.01 0.14 -4.91 116.67 123.18 2rpq s ASP 71 Ca 0.30 0.97 -0.15 0.00 0.71 0.00 0.00 52.55 54.38 2rpq s ASP 71 Cb 0.20 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.60 2rpq s ASP 71 CO 0.30 -2.21 0.42 0.42 0.21 0.00 0.00 175.17 174.31 2rpq s THR 72 N -3.35 0.05 0.45 -1.27 -4.23 -1.26 -1.66 115.64 104.36 2rpq s THR 72 Ca 0.62 -0.91 0.12 0.00 -1.18 0.00 0.00 61.69 60.35 2rpq s THR 72 Cb -0.13 -1.55 0.30 0.00 1.34 0.00 0.00 72.50 72.46 2rpq s THR 72 CO 0.52 -0.23 2.05 -0.65 -0.54 0.00 0.00 174.62 175.77 2rpq h PRO 73 N 2.35 0.35 -0.08 3.99 0.11 -1.79 -1.33 132.00 135.60 2rpq h PRO 73 Ca -0.31 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2rpq h PRO 73 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2rpq h PRO 73 CO 0.43 0.23 -0.29 0.00 -0.21 0.00 0.00 178.00 178.16 2rpq h ALA 74 N 1.78 0.14 -0.54 -0.75 0.00 -1.91 -0.26 119.26 117.72 2rpq h ALA 74 Ca 0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2rpq h ALA 74 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2rpq h ALA 74 CO -0.04 0.17 -0.07 1.96 0.00 0.00 0.00 179.25 181.27 2rpq h GLN 75 N -0.14 0.99 -0.00 0.00 4.20 -1.90 -2.73 115.11 115.53 2rpq h GLN 75 Ca -0.01 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2rpq h GLN 75 Cb 0.92 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2rpq h GLN 75 CO 0.06 1.03 -0.34 -0.11 -0.67 0.00 0.00 178.83 178.79 2rpq n LEU 76 N -4.20 0.55 -3.09 1.46 7.94 -0.51 -4.94 117.00 114.19 2rpq n LEU 76 Ca 0.01 0.01 -0.16 0.00 -1.11 0.00 0.00 56.01 54.76 2rpq n LEU 76 Cb 0.37 -0.25 0.08 0.00 0.53 0.00 0.00 43.42 44.15 2rpq n LEU 76 CO 0.44 0.12 0.12 -0.62 -1.11 0.00 0.00 177.39 176.34 2rpq n GLU 77 N -1.26 -5.89 -1.35 1.96 1.02 -0.96 -5.02 120.64 109.14 2rpq n GLU 77 Ca 0.08 0.72 -0.34 0.00 -0.02 0.00 0.00 57.16 57.60 2rpq n GLU 77 Cb 0.33 -5.39 0.10 0.00 -0.02 0.00 0.00 31.44 26.47 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 -5.34 1.99 0.46 3.49 -1.94 -0.15 -5.03 119.30 112.79 2rpq s MET 78 Ca 0.09 1.81 0.02 0.00 -1.71 0.00 0.00 55.69 55.91 2rpq s MET 78 Cb -0.04 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 35.01 2rpq s MET 78 CO 0.62 -1.96 0.20 0.39 -0.01 0.00 0.00 175.02 174.27 2rpq n GLU 79 N -2.83 0.85 0.13 2.03 -0.58 -1.26 -4.90 120.64 114.07 2rpq n GLU 79 Ca 0.14 -3.09 0.19 0.00 -0.42 0.00 0.00 57.16 53.98 2rpq n GLU 79 Cb 0.50 0.56 0.77 0.00 -0.57 0.00 0.00 31.44 32.69 2rpq n GLU 79 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2rpq h ASP 80 N 0.78 0.00 -1.99 1.62 2.03 -1.94 -3.19 116.42 113.73 2rpq h ASP 80 Ca -0.33 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.42 2rpq h ASP 80 Cb 1.11 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.24 2rpq h ASP 80 CO 0.53 0.00 -1.03 -0.62 -1.03 0.00 0.00 179.24 177.09 2rpq n GLU 81 N -3.90 0.56 -1.77 4.15 1.02 -1.14 -0.37 120.64 119.21 2rpq n GLU 81 Ca 0.05 -3.12 -0.30 0.00 -0.02 0.00 0.00 57.16 53.77 2rpq n GLU 81 Cb 0.48 -1.36 0.06 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.81 5.05 -0.15 1.62 2.15 -0.77 -4.85 116.67 118.91 2rpq s ASP 82 Ca 0.34 1.18 -0.01 0.00 0.43 0.00 0.00 52.55 54.49 2rpq s ASP 82 Cb 0.13 -1.93 0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2rpq s ASP 82 CO -0.14 -1.60 -0.02 -0.89 -0.17 0.00 0.00 175.17 172.35 2rpq s THR 83 N -3.30 0.81 -0.02 1.71 2.01 -1.26 -0.46 115.64 115.13 2rpq s THR 83 Ca 0.59 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.23 2rpq s THR 83 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2rpq s THR 83 CO 0.52 0.10 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.70 2rpq s ILE 84 N 1.76 2.42 0.03 1.82 -1.09 -0.10 -5.00 121.20 121.05 2rpq s ILE 84 Ca 0.02 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.46 2rpq s ILE 84 Cb -0.15 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 2rpq s ILE 84 CO -0.07 0.55 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.51 2rpq s ASP 85 N -0.75 4.64 -0.12 3.58 2.15 -0.93 -0.56 116.67 124.69 2rpq s ASP 85 Ca 0.11 -0.18 -0.02 0.00 0.43 0.00 0.00 52.55 52.88 2rpq s ASP 85 Cb -0.10 -1.06 -0.03 0.00 -0.30 0.00 0.00 42.92 41.43 2rpq s ASP 85 CO 0.00 0.26 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.54 2rpq s VAL 86 N -1.06 4.00 -0.05 1.11 1.01 -0.58 -0.59 120.40 124.23 2rpq s VAL 86 Ca 0.19 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2rpq s VAL 86 Cb -0.11 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2rpq s VAL 86 CO 0.10 0.55 -0.23 0.12 0.00 0.00 0.00 175.10 175.64 2rpq s PHE 87 N -0.28 2.19 -0.03 5.22 5.36 -0.18 -4.80 117.98 125.47 2rpq s PHE 87 Ca 0.05 -0.60 -0.22 0.00 -0.96 0.00 0.00 56.93 55.20 2rpq s PHE 87 Cb -0.13 -1.44 -0.05 0.00 -0.34 0.00 0.00 43.02 41.07 2rpq s PHE 87 CO 0.02 -0.17 0.64 -1.14 -1.46 0.00 0.00 175.22 173.12 2rpq s GLN 88 N -0.20 4.38 0.67 10.12 0.74 -1.26 -1.96 119.66 132.15 2rpq s GLN 88 Ca -0.01 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.20 2rpq s GLN 88 Cb -0.12 -3.39 0.11 0.00 1.10 0.00 0.00 33.01 30.70 2rpq s GLN 88 CO 0.02 0.23 0.93 -0.65 -0.55 0.00 0.00 175.29 175.27 2rpq s GLN 89 N 0.27 1.91 -0.03 1.67 -1.52 -0.19 -4.99 119.66 116.78 2rpq s GLN 89 Ca 0.34 -1.11 0.10 0.00 -1.95 0.00 0.00 55.36 52.73 2rpq s GLN 89 Cb -0.18 -2.40 0.28 0.00 -0.22 0.00 0.00 33.01 30.49 2rpq s GLN 89 CO 0.17 -1.25 1.23 1.04 -0.25 0.00 0.00 175.29 176.24 2rpq n GLN 90 N -2.68 2.86 -1.91 2.91 6.02 -1.26 -4.98 117.38 118.34 2rpq n GLN 90 Ca 0.14 -2.06 -0.42 0.00 -0.01 0.00 0.00 57.00 54.64 2rpq n GLN 90 Cb 0.61 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.54 2rpq n GLN 90 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2rpq s THR 91 N -1.27 3.41 0.50 5.09 2.01 -1.26 -4.98 115.64 119.14 2rpq s THR 91 Ca 0.22 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 2rpq s THR 91 Cb 0.13 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2rpq s THR 91 CO 0.12 -0.10 1.25 -0.83 -0.69 0.00 0.00 174.62 174.37 2rpq s GLY 92 N 4.35 2.82 0.00 4.40 0.00 -1.26 -4.87 107.32 112.77 2rpq s GLY 92 Ca 0.79 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.62 2rpq s GLY 92 CO 0.33 1.58 0.00 0.61 0.00 0.00 0.00 173.10 175.62