#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 3.20 0.24 3.04 0.00 -1.26 -4.05 120.51 121.67 2rpq n ALA 2 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.26 2rpq n ALA 2 Cb 0.00 -1.17 0.61 0.00 0.00 0.00 0.00 19.45 18.89 2rpq n ALA 2 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2rpq h ASP 3 N 0.00 0.00 -0.13 0.00 2.03 -2.10 -2.87 116.42 113.35 2rpq h ASP 3 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2rpq h ASP 3 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2rpq h ASP 3 CO 0.00 0.18 0.00 -1.84 -1.03 0.00 0.00 179.24 176.55 2rpq n GLU 4 N -3.66 2.11 -2.42 4.15 0.28 -1.26 -4.89 120.64 114.96 2rpq n GLU 4 Ca -0.01 -1.64 -0.34 0.00 -0.16 0.00 0.00 57.16 55.00 2rpq n GLU 4 Cb 0.31 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.69 2rpq n GLU 4 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2rpq s LYS 5 N -1.85 3.66 0.30 3.44 1.02 -1.09 -5.02 119.74 120.20 2rpq s LYS 5 Ca 0.34 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.41 2rpq s LYS 5 Cb 0.20 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.35 2rpq s LYS 5 CO 0.31 -0.56 1.13 -1.25 -0.92 0.00 0.00 175.35 174.06 2rpq s PRO 6 N -3.38 4.53 0.50 -1.68 0.04 -1.26 -5.02 135.00 128.73 2rpq s PRO 6 Ca 0.67 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.35 2rpq s PRO 6 Cb -0.17 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.20 2rpq s PRO 6 CO 0.24 0.10 1.08 0.15 0.04 0.00 0.00 177.00 178.61 2rpq s LYS 7 N -1.62 3.66 0.23 4.56 1.02 -1.26 -4.92 119.74 121.41 2rpq s LYS 7 Ca 0.47 1.51 -0.07 0.00 0.02 0.00 0.00 55.97 57.89 2rpq s LYS 7 Cb -0.32 -2.13 0.20 0.00 -0.52 0.00 0.00 37.83 35.06 2rpq s LYS 7 CO 0.41 -0.57 1.85 0.93 -0.92 0.00 0.00 175.35 177.05 2rpq h GLU 8 N 1.55 1.22 -0.42 1.68 5.08 -1.96 -1.10 114.58 120.63 2rpq h GLU 8 Ca -0.50 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 57.81 2rpq h GLU 8 Cb 1.24 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 2rpq h GLU 8 CO 0.59 0.89 -0.20 0.78 -1.00 0.00 0.00 179.01 180.07 2rpq h GLY 9 N 1.22 0.11 0.70 -3.84 0.00 -1.94 0.33 103.07 99.66 2rpq h GLY 9 Ca 0.31 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.85 2rpq h GLY 9 CO -0.05 -0.20 -0.10 -2.08 0.00 0.00 0.00 176.54 174.11 2rpq h VAL 10 N -0.12 1.34 -0.37 4.60 2.07 -1.86 -3.29 116.25 118.62 2rpq h VAL 10 Ca 0.20 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 2rpq h VAL 10 Cb 0.43 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2rpq h VAL 10 CO -0.49 0.35 -0.07 0.50 0.02 0.00 0.00 177.57 177.87 2rpq h LYS 11 N -0.11 0.63 -3.85 1.57 1.63 -1.18 -3.47 116.57 111.79 2rpq h LYS 11 Ca 0.02 -0.18 -0.20 0.00 -0.85 0.00 0.00 60.65 59.45 2rpq h LYS 11 Cb 0.60 -0.07 0.09 0.00 -0.60 0.00 0.00 32.23 32.25 2rpq h LYS 11 CO 0.03 0.70 -0.40 2.41 -3.45 0.00 0.00 179.45 178.73 2rpq n THR 12 N -4.21 -2.56 -3.64 1.00 -1.04 0.10 -5.05 114.28 98.88 2rpq n THR 12 Ca 0.01 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.73 2rpq n THR 12 Cb 0.31 -3.43 -0.07 0.00 -1.82 0.00 0.00 70.33 65.33 2rpq n THR 12 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2rpq s GLU 13 N -5.18 0.91 -0.02 -2.82 2.56 -1.20 -5.08 118.70 107.87 2rpq s GLU 13 Ca 0.14 -0.15 -0.19 0.00 0.00 0.00 0.00 54.97 54.77 2rpq s GLU 13 Cb -0.06 0.41 -0.05 0.00 2.00 0.00 0.00 34.13 36.43 2rpq s GLU 13 CO 0.40 -0.30 0.54 -0.80 -0.56 0.00 0.00 175.26 174.54 2rpq s ASN 14 N -1.64 6.89 0.00 -1.70 0.01 -1.26 -4.59 114.94 112.65 2rpq s ASN 14 Ca -0.09 1.06 0.00 0.00 -0.71 0.00 0.00 52.86 53.13 2rpq s ASN 14 Cb -0.02 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.31 2rpq s ASN 14 CO 0.02 0.13 0.00 0.59 -1.51 0.00 0.00 177.10 176.33 2rpq n ASN 15 N 2.71 0.00 -0.84 -1.22 3.02 -1.26 -4.94 115.26 112.73 2rpq n ASN 15 Ca -0.08 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.58 2rpq n ASN 15 Cb 0.51 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.77 2rpq n ASN 15 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2rpq n ASP 16 N -1.62 2.76 -4.84 6.41 8.00 -1.26 -4.80 116.55 121.19 2rpq n ASP 16 Ca 0.00 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 2rpq n ASP 16 Cb 0.00 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.84 3.61 0.08 1.24 3.76 -1.26 -2.31 115.29 118.56 2rpq s HIS 17 Ca 0.25 1.10 -0.04 0.00 -0.15 0.00 0.00 55.06 56.22 2rpq s HIS 17 Cb 0.18 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 2rpq s HIS 17 CO 0.29 0.41 0.08 0.96 -0.85 0.00 0.00 174.74 175.63 2rpq s ILE 18 N -1.48 0.17 0.01 0.60 -4.36 0.65 -4.96 121.20 111.84 2rpq s ILE 18 Ca 0.39 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 2rpq s ILE 18 Cb -0.15 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 2rpq s ILE 18 CO 0.19 -0.78 -0.04 0.20 0.24 0.00 0.00 174.94 174.76 2rpq s ASN 19 N -2.91 4.84 0.13 4.36 0.01 -0.11 -0.41 114.94 120.85 2rpq s ASN 19 Ca 0.08 -0.09 0.07 0.00 -0.71 0.00 0.00 52.86 52.21 2rpq s ASN 19 Cb 0.07 -1.19 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 2rpq s ASN 19 CO -0.09 0.27 -0.15 -1.48 -1.51 0.00 0.00 177.10 174.14 2rpq s LEU 20 N -1.53 2.40 0.12 0.60 2.34 -0.14 -1.71 118.68 120.75 2rpq s LEU 20 Ca 0.19 -0.81 0.09 0.00 0.06 0.00 0.00 54.13 53.66 2rpq s LEU 20 Cb -0.11 -0.63 -0.04 0.00 -0.56 0.00 0.00 46.19 44.85 2rpq s LEU 20 CO 0.09 -0.10 -0.22 -1.59 -1.06 0.00 0.00 176.35 173.47 2rpq s LYS 21 N -2.61 1.20 -0.09 1.48 0.00 0.20 -0.31 119.74 119.60 2rpq s LYS 21 Ca 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 55.97 54.84 2rpq s LYS 21 Cb -0.06 -1.48 -0.03 0.00 0.00 0.00 0.00 37.83 36.26 2rpq s LYS 21 CO 0.04 0.34 -0.08 0.54 0.00 0.00 0.00 175.35 176.19 2rpq s VAL 22 N -1.25 3.61 -0.09 1.79 0.11 0.17 -1.10 120.40 123.63 2rpq s VAL 22 Ca 0.09 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2rpq s VAL 22 Cb -0.09 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 2rpq s VAL 22 CO 0.05 0.57 -0.22 0.00 -3.33 0.00 0.00 175.10 172.16 2rpq s ALA 23 N -0.43 2.05 0.54 1.54 0.00 0.43 -2.09 121.76 123.79 2rpq s ALA 23 Ca 0.06 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2rpq s ALA 23 Cb -0.12 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2rpq s ALA 23 CO 0.02 0.27 0.37 0.41 0.00 0.00 0.00 175.76 176.83 2rpq n GLY 24 N 3.54 2.82 1.07 0.00 0.00 -0.48 -1.92 105.19 110.22 2rpq n GLY 24 Ca -0.19 -2.30 0.12 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.72 2.41 -0.08 1.61 6.02 -1.26 -2.91 117.38 121.46 2rpq n GLN 25 Ca -0.04 -2.11 0.12 0.00 -0.01 0.00 0.00 57.00 54.96 2rpq n GLN 25 Cb 0.62 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.56 2rpq n GLN 25 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2rpq n ASP 26 N 1.38 3.04 0.00 1.08 5.75 -1.26 -4.94 116.55 121.60 2rpq n ASP 26 Ca 0.18 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2rpq n ASP 26 Cb 0.59 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 1.39 0.60 3.77 6.12 0.00 -1.15 -5.04 105.19 110.89 2rpq n GLY 27 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2rpq n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rpq s SER 28 N -2.09 6.35 -0.03 1.61 1.04 -1.26 -4.86 113.70 114.47 2rpq s SER 28 Ca 0.00 2.32 -0.01 0.00 0.48 0.00 0.00 55.95 58.75 2rpq s SER 28 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 2rpq s SER 28 CO 0.00 -0.79 0.04 0.54 0.98 0.00 0.00 173.24 174.01 2rpq s VAL 29 N -1.48 -0.05 -0.03 5.02 0.11 -1.26 -1.38 120.40 121.32 2rpq s VAL 29 Ca 0.60 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.95 2rpq s VAL 29 Cb -0.30 -0.12 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2rpq s VAL 29 CO 0.37 0.12 -0.13 0.54 -3.33 0.00 0.00 175.10 172.67 2rpq s VAL 30 N 1.39 1.08 0.16 2.04 0.11 -0.89 -4.98 120.40 119.32 2rpq s VAL 30 Ca -0.05 -0.53 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 2rpq s VAL 30 Cb -0.13 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2rpq s VAL 30 CO -0.03 0.32 0.01 0.00 -3.33 0.00 0.00 175.10 172.07 2rpq s GLN 31 N 0.09 2.46 0.00 1.54 1.03 -1.26 -0.66 119.66 122.87 2rpq s GLN 31 Ca -0.03 -1.05 0.00 0.00 0.04 0.00 0.00 55.36 54.33 2rpq s GLN 31 Cb -0.10 -2.41 -0.00 0.00 0.03 0.00 0.00 33.01 30.54 2rpq s GLN 31 CO 0.01 0.47 -0.01 -0.06 -2.54 0.00 0.00 175.29 173.16 2rpq s PHE 32 N -1.67 0.07 -0.30 9.60 0.40 0.57 -4.97 117.98 121.68 2rpq s PHE 32 Ca 0.27 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 2rpq s PHE 32 Cb -0.10 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 2rpq s PHE 32 CO 0.19 -0.01 0.23 0.21 0.70 0.00 0.00 175.22 176.54 2rpq s LYS 33 N -0.09 3.77 0.04 0.44 2.20 -1.26 -0.97 119.74 123.86 2rpq s LYS 33 Ca -0.01 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.13 2rpq s LYS 33 Cb -0.01 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2rpq s LYS 33 CO -0.00 -0.30 0.10 -1.50 -0.36 0.00 0.00 175.35 173.29 2rpq s ILE 34 N 1.78 0.13 0.29 5.43 2.07 0.45 -4.98 121.20 126.37 2rpq s ILE 34 Ca 0.07 -1.08 0.10 0.00 -1.41 0.00 0.00 60.65 58.34 2rpq s ILE 34 Cb -0.17 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 41.49 2rpq s ILE 34 CO 0.11 -0.59 -0.08 -0.54 -1.91 0.00 0.00 174.94 171.92 2rpq s LYS 35 N -2.58 2.00 0.29 3.50 3.01 -1.26 -0.25 119.74 124.44 2rpq s LYS 35 Ca -0.05 -1.64 -0.02 0.00 -1.01 0.00 0.00 55.97 53.25 2rpq s LYS 35 Cb -0.01 -1.95 0.40 0.00 -1.01 0.00 0.00 37.83 35.26 2rpq s LYS 35 CO -0.04 0.30 1.91 -0.09 0.51 0.00 0.00 175.35 177.93 2rpq h ARG 36 N 2.02 1.02 -0.64 1.68 9.65 -1.85 -1.78 114.38 124.48 2rpq h ARG 36 Ca -0.42 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2rpq h ARG 36 Cb 1.25 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2rpq h ARG 36 CO 0.62 0.75 0.00 0.72 2.80 0.00 0.00 179.97 184.86 2rpq n HIS 37 N -4.36 1.42 -2.97 2.20 8.25 -1.26 -2.83 115.22 115.67 2rpq n HIS 37 Ca 0.07 -0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 56.51 2rpq n HIS 37 Cb 0.10 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.93 2rpq n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rpq s THR 38 N -1.80 4.91 0.84 1.59 2.01 -0.67 -5.03 115.64 117.48 2rpq s THR 38 Ca 0.50 1.43 -0.11 0.00 0.31 0.00 0.00 61.69 63.83 2rpq s THR 38 Cb 0.32 -4.06 0.10 0.00 0.01 0.00 0.00 72.50 68.88 2rpq s THR 38 CO 0.25 0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 173.16 2rpq s PRO 39 N 2.45 1.55 0.53 4.92 0.04 -1.26 -4.23 135.00 138.99 2rpq s PRO 39 Ca 0.33 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.12 2rpq s PRO 39 Cb -0.16 -1.79 1.47 0.00 0.04 0.00 0.00 34.50 34.06 2rpq s PRO 39 CO 0.09 -2.23 2.10 1.37 0.04 0.00 0.00 177.00 178.38 2rpq h LEU 40 N -1.39 0.00 -1.99 -3.56 8.10 -1.18 -2.12 115.31 113.17 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 1.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 2rpq h LEU 40 CO 0.46 0.10 0.51 0.77 -4.11 0.00 0.00 178.44 176.17 2rpq h SER 41 N 0.00 0.00 -0.22 0.17 4.64 -1.72 -2.16 113.55 114.25 2rpq h SER 41 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2rpq h SER 41 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2rpq h SER 41 CO 0.01 0.00 -0.39 0.50 -0.87 0.00 0.00 176.83 176.08 2rpq h LYS 42 N 0.00 0.66 -0.42 4.77 1.63 -1.69 0.80 116.57 122.31 2rpq h LYS 42 Ca 0.32 -0.41 -0.10 0.00 -0.85 0.00 0.00 60.65 59.61 2rpq h LYS 42 Cb 1.33 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2rpq h LYS 42 CO -0.00 1.03 -0.13 1.37 -3.45 0.00 0.00 179.45 178.26 2rpq h LEU 43 N 0.36 0.76 -0.65 5.20 -0.00 -1.67 -1.84 115.31 117.46 2rpq h LEU 43 Ca 0.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.64 2rpq h LEU 43 Cb 0.99 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.41 2rpq h LEU 43 CO 0.09 0.91 0.34 -0.03 -0.00 0.00 0.00 178.44 179.74 2rpq h MET 44 N 0.69 0.92 -0.53 0.17 4.05 -1.14 0.85 114.93 119.93 2rpq h MET 44 Ca 0.11 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2rpq h MET 44 Cb 0.61 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 2rpq h MET 44 CO 0.04 0.71 0.23 -0.22 0.23 0.00 0.00 176.91 177.91 2rpq h LYS 45 N 0.90 0.78 -0.58 0.39 1.63 -0.78 -2.19 116.57 116.72 2rpq h LYS 45 Ca 0.23 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 2rpq h LYS 45 Cb 0.08 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2rpq h LYS 45 CO -0.03 0.67 0.09 0.00 -3.45 0.00 0.00 179.45 176.72 2rpq h ALA 46 N 1.08 1.06 -0.72 5.00 0.00 -1.06 -1.09 119.26 123.54 2rpq h ALA 46 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rpq h ALA 46 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2rpq h ALA 46 CO -0.02 0.60 0.43 -0.92 0.00 0.00 0.00 179.25 179.34 2rpq h TYR 47 N 0.88 0.96 -0.54 0.00 3.20 -0.69 0.85 116.97 121.64 2rpq h TYR 47 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2rpq h TYR 47 Cb 0.40 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2rpq h TYR 47 CO 0.02 0.65 0.19 0.00 -1.64 0.00 0.00 178.16 177.39 2rpq h GLU 49 N 0.73 0.12 -0.10 0.00 5.08 -1.01 -2.39 114.58 117.01 2rpq h GLU 49 Ca 0.18 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2rpq h GLU 49 Cb 0.23 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2rpq h GLU 49 CO -0.01 0.51 -0.56 0.00 -1.00 0.00 0.00 179.01 177.96 2rpq h ARG 50 N -0.27 0.56 -0.27 2.33 3.08 -0.85 -3.37 114.38 115.59 2rpq h ARG 50 Ca 0.01 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2rpq h ARG 50 Cb 0.48 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2rpq h ARG 50 CO 0.01 1.09 0.00 1.04 -1.07 0.00 0.00 179.97 181.04 2rpq n GLN 51 N -4.18 2.90 -2.34 0.04 1.13 0.23 -5.01 117.38 110.15 2rpq n GLN 51 Ca -0.08 -1.94 -0.00 0.00 -1.94 0.00 0.00 57.00 53.04 2rpq n GLN 51 Cb 0.63 -1.21 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 0.26 0.79 3.43 1.08 0.00 -0.94 -4.96 105.19 104.86 2rpq n GLY 52 Ca 0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.32 2.58 -0.16 0.99 1.43 -0.96 -5.05 118.68 116.18 2rpq s LEU 53 Ca 0.00 -1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 51.93 2rpq s LEU 53 Cb -0.00 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 2rpq s LEU 53 CO 0.00 -0.15 0.09 -0.44 0.23 0.00 0.00 176.35 176.08 2rpq s SER 54 N -3.45 5.91 0.28 2.29 0.01 -1.26 -4.59 113.70 112.88 2rpq s SER 54 Ca 0.28 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.73 2rpq s SER 54 Cb -0.00 -1.97 0.40 0.00 0.21 0.00 0.00 66.02 64.65 2rpq s SER 54 CO 0.12 0.25 1.92 -0.03 0.41 0.00 0.00 173.24 175.91 2rpq h MET 55 N 6.15 1.16 -0.09 12.44 4.05 -1.93 -1.90 114.93 134.81 2rpq h MET 55 Ca -0.43 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2rpq h MET 55 Cb 1.18 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2rpq h MET 55 CO 0.68 0.77 0.00 2.89 0.23 0.00 0.00 176.91 181.47 2rpq n ARG 56 N -4.44 1.87 -0.03 0.39 1.85 -1.26 -3.93 116.66 111.12 2rpq n ARG 56 Ca 0.13 -1.28 0.07 0.00 -1.00 0.00 0.00 57.85 55.77 2rpq n ARG 56 Cb 0.10 -1.46 -0.17 0.00 -1.05 0.00 0.00 32.46 29.89 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 0.53 0.67 -4.24 2.89 1.13 -0.72 -4.89 117.38 112.74 2rpq n GLN 57 Ca 0.17 -0.16 -0.30 0.00 -1.94 0.00 0.00 57.00 54.77 2rpq n GLN 57 Cb 0.41 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 29.15 2rpq n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2rpq s ILE 58 N -3.32 3.36 0.05 5.09 -4.36 -1.17 -2.08 121.20 118.77 2rpq s ILE 58 Ca -0.08 -1.26 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 2rpq s ILE 58 Cb 0.12 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 2rpq s ILE 58 CO 0.89 0.12 -0.05 -0.13 0.24 0.00 0.00 174.94 176.02 2rpq s ARG 59 N -2.17 0.56 0.07 0.37 1.81 -0.66 -4.91 118.95 114.01 2rpq s ARG 59 Ca 0.21 -0.97 0.07 0.00 -1.72 0.00 0.00 55.73 53.32 2rpq s ARG 59 Cb -0.11 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 2rpq s ARG 59 CO 0.13 -0.04 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.50 2rpq s PHE 60 N -2.61 2.62 0.17 -0.53 0.08 -1.26 -0.81 117.98 115.63 2rpq s PHE 60 Ca -0.02 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.86 2rpq s PHE 60 Cb -0.02 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 2rpq s PHE 60 CO -0.04 0.33 -0.09 1.03 -0.10 0.00 0.00 175.22 176.36 2rpq s ARG 61 N -1.78 1.14 -0.16 0.44 0.52 0.07 -3.11 118.95 116.08 2rpq s ARG 61 Ca 0.17 -1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 2rpq s ARG 61 Cb -0.11 -0.68 0.04 0.00 0.52 0.00 0.00 34.95 34.73 2rpq s ARG 61 CO 0.08 0.05 -0.02 0.12 0.02 0.00 0.00 175.30 175.56 2rpq s PHE 62 N -3.30 1.31 -1.47 -0.53 5.36 -0.01 -2.23 117.98 117.10 2rpq s PHE 62 Ca 0.20 -0.85 -0.10 0.00 -0.96 0.00 0.00 56.93 55.21 2rpq s PHE 62 Cb 0.03 -1.13 0.06 0.00 -0.34 0.00 0.00 43.02 41.64 2rpq s PHE 62 CO 0.03 -0.56 0.93 -3.47 -1.46 0.00 0.00 175.22 170.69 2rpq n ASP 63 N 4.98 -4.07 0.00 6.13 2.03 -1.26 -1.23 116.55 123.13 2rpq n ASP 63 Ca -0.10 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.43 2rpq n ASP 63 Cb 0.48 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 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 -1.69 0.91 3.84 0.27 0.00 -1.26 -5.03 105.19 102.23 2rpq n GLY 64 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.06 3.63 0.23 1.61 -0.21 -0.36 -5.07 119.66 119.43 2rpq s GLN 65 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 2rpq s GLN 65 Cb 0.00 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.68 2rpq s GLN 65 CO 0.00 0.66 1.13 -1.25 -2.12 0.00 0.00 175.29 173.72 2rpq s PRO 66 N -0.70 4.58 -0.02 2.91 0.04 -1.26 -0.83 135.00 139.72 2rpq s PRO 66 Ca 0.13 1.81 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2rpq s PRO 66 Cb -0.12 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2rpq s PRO 66 CO 0.03 0.09 -0.23 0.96 0.04 0.00 0.00 177.00 177.89 2rpq s ILE 67 N -0.64 2.33 0.28 0.56 -4.36 -1.18 -4.88 121.20 113.31 2rpq s ILE 67 Ca 0.48 -1.04 0.07 0.00 -0.26 0.00 0.00 60.65 59.90 2rpq s ILE 67 Cb -0.32 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2rpq s ILE 67 CO 0.39 0.56 0.21 0.20 0.24 0.00 0.00 174.94 176.53 2rpq s ASN 68 N -0.72 5.36 0.39 4.36 0.01 -1.26 -4.64 114.94 118.45 2rpq s ASN 68 Ca 0.11 -0.36 0.08 0.00 -0.71 0.00 0.00 52.86 51.98 2rpq s ASN 68 Cb -0.10 -1.23 0.85 0.00 0.41 0.00 0.00 41.25 41.19 2rpq s ASN 68 CO -0.00 -0.13 1.99 -0.33 -1.51 0.00 0.00 177.10 177.12 2rpq h GLU 69 N 1.46 0.59 0.00 -0.60 5.08 -1.99 -0.30 114.58 118.81 2rpq h GLU 69 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2rpq h GLU 69 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2rpq h GLU 69 CO 0.60 0.39 0.00 2.41 -1.00 0.00 0.00 179.01 181.41 2rpq n THR 70 N -4.47 0.41 -1.47 1.13 -1.04 -1.26 -2.43 114.28 105.15 2rpq n THR 70 Ca 0.09 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 2rpq n THR 70 Cb 0.23 -0.63 0.15 0.00 -1.82 0.00 0.00 70.33 68.26 2rpq n THR 70 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2rpq s ASP 71 N -3.83 3.23 0.13 8.00 1.01 -0.13 -4.81 116.67 120.27 2rpq s ASP 71 Ca 0.11 0.96 -0.10 0.00 0.71 0.00 0.00 52.55 54.24 2rpq s ASP 71 Cb 0.14 -1.53 -0.00 0.00 1.01 0.00 0.00 42.92 42.55 2rpq s ASP 71 CO 0.53 -2.73 0.26 0.42 0.21 0.00 0.00 175.17 173.86 2rpq s THR 72 N -3.23 0.10 0.37 -1.27 -4.23 -1.26 -1.05 115.64 105.06 2rpq s THR 72 Ca 0.65 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 2rpq s THR 72 Cb -0.15 -1.54 0.32 0.00 1.34 0.00 0.00 72.50 72.47 2rpq s THR 72 CO 0.54 -0.46 1.90 -0.65 -0.54 0.00 0.00 174.62 175.41 2rpq h PRO 73 N 2.62 0.65 -0.35 3.99 0.11 -1.74 -1.37 132.00 135.92 2rpq h PRO 73 Ca -0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 2rpq h PRO 73 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2rpq h PRO 73 CO 0.52 0.43 0.13 0.00 -0.21 0.00 0.00 178.00 178.86 2rpq h ALA 74 N 1.60 0.45 -0.26 -0.75 0.00 -1.88 0.22 119.26 118.64 2rpq h ALA 74 Ca 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2rpq h ALA 74 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2rpq h ALA 74 CO -0.16 0.07 -0.08 1.96 0.00 0.00 0.00 179.25 181.03 2rpq h GLN 75 N 0.41 0.52 -0.00 0.00 4.20 -1.85 -3.21 115.11 115.18 2rpq h GLN 75 Ca 0.11 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2rpq h GLN 75 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2rpq h GLN 75 CO -0.01 0.74 -0.45 -0.11 -0.67 0.00 0.00 178.83 178.33 2rpq n LEU 76 N -4.52 0.69 -1.94 1.46 7.94 -0.53 -4.96 117.00 115.14 2rpq n LEU 76 Ca -0.04 -0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 54.64 2rpq n LEU 76 Cb 0.32 -0.20 0.03 0.00 0.53 0.00 0.00 43.42 44.10 2rpq n LEU 76 CO 0.40 0.15 0.07 -0.62 -1.11 0.00 0.00 177.39 176.28 2rpq n GLU 77 N -1.24 -3.48 -1.41 1.96 1.02 -0.03 -5.02 120.64 112.44 2rpq n GLU 77 Ca 0.07 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.32 2rpq n GLU 77 Cb 0.34 -4.37 0.09 0.00 -0.02 0.00 0.00 31.44 27.48 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 -2.70 0.62 -4.66 3.49 2.81 -0.61 -5.02 117.12 111.06 2rpq n MET 78 Ca -0.03 0.27 -0.30 0.00 -1.81 0.00 0.00 57.70 55.84 2rpq n MET 78 Cb 0.55 -2.36 -0.08 0.00 -0.71 0.00 0.00 33.22 30.62 2rpq n MET 78 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2rpq s GLU 79 N -3.51 2.09 0.58 0.03 2.02 -1.26 -4.95 118.70 113.70 2rpq s GLU 79 Ca 0.76 -2.31 0.28 0.00 0.02 0.00 0.00 54.97 53.72 2rpq s GLU 79 Cb -0.35 -1.13 1.53 0.00 0.10 0.00 0.00 34.13 34.28 2rpq s GLU 79 CO 0.47 -0.41 1.99 0.38 0.02 0.00 0.00 175.26 177.71 2rpq h ASP 80 N 1.53 0.00 -2.04 -0.19 2.03 -1.93 -2.67 116.42 113.15 2rpq h ASP 80 Ca -0.40 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.39 2rpq h ASP 80 Cb 1.30 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.40 2rpq h ASP 80 CO 0.67 0.00 -1.09 -0.62 -1.03 0.00 0.00 179.24 177.17 2rpq n GLU 81 N -3.87 1.28 -1.25 4.15 1.02 -1.03 -0.93 120.64 120.01 2rpq n GLU 81 Ca 0.06 -3.60 -0.29 0.00 -0.02 0.00 0.00 57.16 53.31 2rpq n GLU 81 Cb 0.53 -1.71 0.14 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 -2.36 3.36 -0.08 1.62 -1.08 -0.70 -4.79 116.67 112.65 2rpq s ASP 82 Ca 0.40 1.36 -0.01 0.00 -0.52 0.00 0.00 52.55 53.79 2rpq s ASP 82 Cb 0.30 -2.04 0.03 0.00 -1.46 0.00 0.00 42.92 39.75 2rpq s ASP 82 CO -0.09 -2.69 -0.03 -0.89 0.52 0.00 0.00 175.17 171.99 2rpq s THR 83 N -2.99 0.59 -0.02 1.71 2.01 -1.26 -0.62 115.64 115.07 2rpq s THR 83 Ca 0.64 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.67 2rpq s THR 83 Cb -0.18 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2rpq s THR 83 CO 0.57 0.29 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.92 2rpq s ILE 84 N 1.72 2.29 -0.04 1.82 -1.09 -0.25 -4.97 121.20 120.68 2rpq s ILE 84 Ca 0.02 -1.07 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 2rpq s ILE 84 Cb -0.13 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 2rpq s ILE 84 CO -0.05 0.55 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.51 2rpq s ASP 85 N -0.74 4.58 -0.17 3.58 2.15 -0.95 -0.43 116.67 124.69 2rpq s ASP 85 Ca 0.11 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 52.96 2rpq s ASP 85 Cb -0.10 -1.10 -0.03 0.00 -0.30 0.00 0.00 42.92 41.39 2rpq s ASP 85 CO -0.00 0.33 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.62 2rpq s VAL 86 N -0.88 3.98 -0.04 1.11 1.01 -0.81 -0.75 120.40 124.03 2rpq s VAL 86 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2rpq s VAL 86 Cb -0.11 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2rpq s VAL 86 CO 0.04 0.48 -0.19 0.12 0.00 0.00 0.00 175.10 175.55 2rpq s PHE 87 N 0.48 2.56 -0.27 5.22 5.36 0.01 -4.67 117.98 126.67 2rpq s PHE 87 Ca -0.02 -0.29 -0.14 0.00 -0.96 0.00 0.00 56.93 55.52 2rpq s PHE 87 Cb -0.14 -1.59 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 2rpq s PHE 87 CO 0.02 0.09 0.32 -0.65 -1.46 0.00 0.00 175.22 173.54 2rpq s GLN 88 N -0.65 4.01 -0.11 10.12 -1.52 -1.26 -1.66 119.66 128.59 2rpq s GLN 88 Ca 0.10 -0.05 0.19 0.00 -1.95 0.00 0.00 55.36 53.65 2rpq s GLN 88 Cb -0.11 -3.65 -0.25 0.00 -0.22 0.00 0.00 33.01 28.78 2rpq s GLN 88 CO 0.00 -0.24 0.33 1.04 -0.25 0.00 0.00 175.29 176.17 2rpq n GLN 89 N 5.20 0.67 -1.76 2.91 1.13 -0.89 -4.87 117.38 119.77 2rpq n GLN 89 Ca -0.10 -0.01 -0.38 0.00 -1.94 0.00 0.00 57.00 54.57 2rpq n GLN 89 Cb 0.51 -1.58 0.05 0.00 0.11 0.00 0.00 30.24 29.33 2rpq n GLN 89 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2rpq s GLN 90 N -2.83 3.03 0.13 -1.09 -2.07 -0.95 -5.06 119.66 110.82 2rpq s GLN 90 Ca -0.08 2.23 -0.16 0.00 -1.82 0.00 0.00 55.36 55.52 2rpq s GLN 90 Cb 0.09 -2.19 0.04 0.00 -1.09 0.00 0.00 33.01 29.85 2rpq s GLN 90 CO 0.85 -1.27 0.41 -0.08 -1.32 0.00 0.00 175.29 173.88 2rpq s THR 91 N -1.31 0.07 1.16 3.63 -1.32 -1.26 -5.10 115.64 111.51 2rpq s THR 91 Ca 0.73 -0.56 -0.17 0.00 -1.21 0.00 0.00 61.69 60.49 2rpq s THR 91 Cb -0.40 -1.17 0.19 0.00 -1.51 0.00 0.00 72.50 69.60 2rpq s THR 91 CO 0.47 -0.30 0.38 0.61 -2.21 0.00 0.00 174.62 173.57 2rpq n GLY 92 N -0.23 -2.42 0.00 6.08 0.00 -1.26 -5.29 105.19 102.07 2rpq n GLY 92 Ca -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93