#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 0.99 -3.86 3.04 0.00 -2.13 -3.43 119.26 113.88 2rpq h ALA 2 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 2rpq h ALA 2 Cb 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 17.47 2rpq h ALA 2 CO 0.00 0.06 -0.87 -0.51 0.00 0.00 0.00 179.25 177.92 2rpq s ASP 3 N -5.93 3.17 0.52 0.00 1.01 -1.26 -5.12 116.67 109.05 2rpq s ASP 3 Ca 0.03 -0.50 -0.22 0.00 0.71 0.00 0.00 52.55 52.57 2rpq s ASP 3 Cb 0.08 -0.98 -0.06 0.00 1.01 0.00 0.00 42.92 42.97 2rpq s ASP 3 CO 0.60 0.23 1.28 -0.70 0.21 0.00 0.00 175.17 176.78 2rpq s GLU 4 N -0.07 3.33 0.50 8.23 2.56 -1.26 -4.97 118.70 127.01 2rpq s GLU 4 Ca -0.06 2.03 -0.23 0.00 0.00 0.00 0.00 54.97 56.71 2rpq s GLU 4 Cb -0.14 -2.27 -0.06 0.00 2.00 0.00 0.00 34.13 33.65 2rpq s GLU 4 CO 0.05 -0.98 1.28 -1.59 -0.56 0.00 0.00 175.26 173.46 2rpq s LYS 5 N -2.88 3.47 0.97 4.30 -2.85 -1.26 -4.96 119.74 116.52 2rpq s LYS 5 Ca 0.70 2.05 -0.11 0.00 -1.00 0.00 0.00 55.97 57.61 2rpq s LYS 5 Cb -0.35 -2.37 0.16 0.00 -2.06 0.00 0.00 37.83 33.21 2rpq s LYS 5 CO 0.42 -0.87 1.04 -2.30 0.10 0.00 0.00 175.35 173.73 2rpq n PRO 6 N -0.70 -0.82 -0.18 1.78 -0.02 -1.26 -4.92 135.00 128.88 2rpq n PRO 6 Ca 0.08 -0.18 -0.08 0.00 -2.02 0.00 0.00 63.50 61.31 2rpq n PRO 6 Cb 0.46 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2rpq n PRO 6 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2rpq h LYS 7 N -2.02 0.75 -0.41 -0.52 1.79 -2.06 -2.99 116.57 111.11 2rpq h LYS 7 Ca -0.46 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2rpq h LYS 7 Cb 1.28 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2rpq h LYS 7 CO 0.42 0.61 0.00 0.39 -1.08 0.00 0.00 179.45 179.79 2rpq n GLU 8 N -4.60 2.53 -0.76 3.15 -0.58 -1.26 -5.07 120.64 114.05 2rpq n GLU 8 Ca 0.02 -2.31 0.10 0.00 -0.42 0.00 0.00 57.16 54.55 2rpq n GLU 8 Cb 0.11 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 2rpq n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rpq n GLY 9 N 1.52 -2.43 3.73 0.62 0.00 -1.13 -4.89 105.19 102.61 2rpq n GLY 9 Ca 0.20 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.83 2.88 -0.19 1.61 0.11 -1.26 -4.90 120.40 115.83 2rpq s VAL 10 Ca 0.00 0.70 0.16 0.00 -2.93 0.00 0.00 61.98 59.91 2rpq s VAL 10 Cb 0.00 -3.45 0.54 0.00 -1.53 0.00 0.00 36.38 31.94 2rpq s VAL 10 CO 0.00 0.09 1.44 0.29 -3.33 0.00 0.00 175.10 173.59 2rpq n LYS 11 N 2.93 2.96 -1.61 1.54 4.76 -1.26 -5.03 118.16 122.45 2rpq n LYS 11 Ca 0.09 -2.87 -0.36 0.00 -2.87 0.00 0.00 58.31 52.29 2rpq n LYS 11 Cb 0.41 -1.86 0.08 0.00 -1.84 0.00 0.00 35.03 31.81 2rpq n LYS 11 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2rpq n THR 12 N -0.49 4.38 -3.43 -0.18 -2.24 -1.26 -5.02 114.28 106.04 2rpq n THR 12 Ca 0.22 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 2rpq n THR 12 Cb 0.91 -1.42 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 2rpq n THR 12 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2rpq s GLU 13 N -3.46 4.07 0.01 -0.78 2.02 -1.26 -5.09 118.70 114.22 2rpq s GLU 13 Ca 0.81 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 56.23 2rpq s GLU 13 Cb -0.37 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 2rpq s GLU 13 CO 0.42 0.53 0.02 -0.80 0.02 0.00 0.00 175.26 175.45 2rpq s ASN 14 N -0.59 0.13 -0.02 -0.19 0.01 -1.26 -5.06 114.94 107.95 2rpq s ASN 14 Ca 0.25 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 2rpq s ASN 14 Cb -0.16 0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.63 2rpq s ASN 14 CO 0.13 -0.23 0.34 -0.46 -1.51 0.00 0.00 177.10 175.38 2rpq n ASN 15 N 2.01 -0.22 -3.86 -1.22 6.94 -1.26 -5.04 115.26 112.61 2rpq n ASN 15 Ca -0.20 -0.64 -0.12 0.00 -0.02 0.00 0.00 54.58 53.60 2rpq n ASN 15 Cb 0.56 0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.94 2rpq n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2rpq s ASP 16 N -0.20 -0.05 0.30 0.53 2.15 -1.26 -5.04 116.67 113.10 2rpq s ASP 16 Ca 0.01 0.09 -0.28 0.00 0.43 0.00 0.00 52.55 52.79 2rpq s ASP 16 Cb 0.03 0.17 -0.14 0.00 -0.30 0.00 0.00 42.92 42.68 2rpq s ASP 16 CO -0.01 -0.08 1.02 0.00 -0.17 0.00 0.00 175.17 175.93 2rpq n HIS 17 N 2.78 1.31 -4.23 -5.34 1.44 -1.26 -4.73 115.22 105.18 2rpq n HIS 17 Ca -0.14 0.69 -0.13 0.00 -2.01 0.00 0.00 57.72 56.13 2rpq n HIS 17 Cb 0.59 -2.26 -0.10 0.00 0.12 0.00 0.00 29.99 28.34 2rpq n HIS 17 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2rpq s ILE 18 N -1.07 0.96 0.01 0.61 -4.36 0.60 -4.95 121.20 113.00 2rpq s ILE 18 Ca 0.59 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2rpq s ILE 18 Cb -0.69 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2rpq s ILE 18 CO 0.60 -0.73 -0.05 0.20 0.24 0.00 0.00 174.94 175.20 2rpq s ASN 19 N -3.14 4.76 0.09 4.36 0.01 0.58 -0.33 114.94 121.28 2rpq s ASN 19 Ca 0.17 -0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.26 2rpq s ASN 19 Cb 0.04 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 2rpq s ASN 19 CO -0.00 0.27 -0.18 -1.48 -1.51 0.00 0.00 177.10 174.19 2rpq s LEU 20 N -1.54 2.29 0.10 0.60 2.34 -0.09 -0.72 118.68 121.66 2rpq s LEU 20 Ca 0.18 -0.65 0.09 0.00 0.06 0.00 0.00 54.13 53.81 2rpq s LEU 20 Cb -0.11 -0.75 -0.04 0.00 -0.56 0.00 0.00 46.19 44.73 2rpq s LEU 20 CO 0.09 0.01 -0.22 -1.59 -1.06 0.00 0.00 176.35 173.59 2rpq s LYS 21 N -1.82 1.71 -0.13 1.48 -2.85 0.23 -0.34 119.74 118.02 2rpq s LYS 21 Ca 0.03 -1.20 0.02 0.00 -1.00 0.00 0.00 55.97 53.82 2rpq s LYS 21 Cb -0.10 -2.05 -0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2rpq s LYS 21 CO 0.03 0.48 -0.18 0.08 0.10 0.00 0.00 175.35 175.86 2rpq s VAL 22 N -1.06 2.51 -0.11 1.79 1.01 -0.25 -0.80 120.40 123.50 2rpq s VAL 22 Ca 0.16 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2rpq s VAL 22 Cb -0.10 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2rpq s VAL 22 CO 0.07 0.54 -0.22 0.00 0.00 0.00 0.00 175.10 175.49 2rpq s ALA 23 N 0.55 2.27 0.91 5.51 0.00 -0.38 -1.88 121.76 128.74 2rpq s ALA 23 Ca -0.11 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.80 2rpq s ALA 23 Cb -0.16 -0.90 0.15 0.00 0.00 0.00 0.00 23.12 22.21 2rpq s ALA 23 CO 0.04 0.28 0.92 0.41 0.00 0.00 0.00 175.76 177.41 2rpq n GLY 24 N 3.51 -0.89 0.23 0.00 0.00 -0.35 -1.52 105.19 106.18 2rpq n GLY 24 Ca -0.19 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.07 2rpq n GLY 24 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2rpq h GLN 25 N 0.00 0.22 -0.31 1.61 4.20 -1.88 -3.00 115.11 115.95 2rpq h GLN 25 Ca -0.30 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2rpq h GLN 25 Cb 0.88 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2rpq h GLN 25 CO 0.23 0.40 0.00 -0.40 -0.67 0.00 0.00 178.83 178.39 2rpq n ASP 26 N -4.24 2.10 0.00 1.46 5.75 -1.26 -4.90 116.55 115.46 2rpq n ASP 26 Ca -0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2rpq n ASP 26 Cb 0.30 -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 1.18 0.66 3.74 6.12 0.00 -1.13 -5.03 105.19 110.73 2rpq n GLY 27 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.26 7.15 -0.02 1.61 0.01 -1.26 -4.87 113.70 114.06 2rpq s SER 28 Ca 0.00 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2rpq s SER 28 Cb 0.00 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.81 2rpq s SER 28 CO 0.00 -0.02 0.03 0.54 0.41 0.00 0.00 173.24 174.20 2rpq s VAL 29 N 0.17 -0.04 -0.02 3.43 0.11 -1.26 -1.20 120.40 121.58 2rpq s VAL 29 Ca 0.38 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 2rpq s VAL 29 Cb -0.20 -0.09 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2rpq s VAL 29 CO 0.22 0.09 -0.14 0.54 -3.33 0.00 0.00 175.10 172.48 2rpq s VAL 30 N 0.99 1.10 0.07 2.04 0.11 -0.79 -4.98 120.40 118.94 2rpq s VAL 30 Ca -0.08 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 2rpq s VAL 30 Cb -0.12 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2rpq s VAL 30 CO -0.03 0.32 -0.07 0.00 -3.33 0.00 0.00 175.10 171.99 2rpq s GLN 31 N -0.21 2.36 -0.00 1.54 1.03 -1.26 -1.09 119.66 122.03 2rpq s GLN 31 Ca 0.03 -0.88 0.03 0.00 0.04 0.00 0.00 55.36 54.57 2rpq s GLN 31 Cb -0.07 -2.42 -0.01 0.00 0.03 0.00 0.00 33.01 30.55 2rpq s GLN 31 CO -0.00 0.55 -0.09 -0.06 -2.54 0.00 0.00 175.29 173.14 2rpq s PHE 32 N -1.16 0.83 -0.27 9.60 0.40 0.54 -4.97 117.98 122.95 2rpq s PHE 32 Ca 0.21 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2rpq s PHE 32 Cb -0.11 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 2rpq s PHE 32 CO 0.12 -0.01 0.11 0.21 0.70 0.00 0.00 175.22 176.35 2rpq s LYS 33 N -0.31 3.63 0.04 0.44 2.20 -1.26 -0.92 119.74 123.57 2rpq s LYS 33 Ca 0.03 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.02 2rpq s LYS 33 Cb -0.04 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2rpq s LYS 33 CO -0.00 -0.24 0.25 -1.50 -0.36 0.00 0.00 175.35 173.50 2rpq s ILE 34 N 1.64 0.09 0.26 5.43 2.07 0.56 -4.98 121.20 126.27 2rpq s ILE 34 Ca 0.06 -0.77 0.07 0.00 -1.41 0.00 0.00 60.65 58.59 2rpq s ILE 34 Cb -0.16 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 2rpq s ILE 34 CO 0.06 -0.43 0.23 -0.54 -1.91 0.00 0.00 174.94 172.35 2rpq s LYS 35 N -2.55 2.99 0.28 3.50 3.01 -1.26 -0.29 119.74 125.41 2rpq s LYS 35 Ca -0.05 -1.03 -0.03 0.00 -1.01 0.00 0.00 55.97 53.86 2rpq s LYS 35 Cb -0.01 -2.61 0.39 0.00 -1.01 0.00 0.00 37.83 34.59 2rpq s LYS 35 CO -0.04 0.38 1.89 0.00 0.51 0.00 0.00 175.35 178.10 2rpq h ARG 36 N 1.43 1.02 -0.00 1.68 2.47 -1.96 -2.85 114.38 116.17 2rpq h ARG 36 Ca -0.49 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 2rpq h ARG 36 Cb 1.24 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2rpq h ARG 36 CO 0.61 0.77 -0.91 0.72 0.56 0.00 0.00 179.97 181.72 2rpq n HIS 37 N -4.34 0.00 -1.77 3.04 8.25 -1.26 -1.33 115.22 117.80 2rpq n HIS 37 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 2rpq n HIS 37 Cb 0.12 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.98 3.03 0.72 1.59 2.01 -1.08 -4.89 115.64 114.04 2rpq s THR 38 Ca 0.09 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 2rpq s THR 38 Cb 0.16 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.56 2rpq s THR 38 CO 0.83 -0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.66 2rpq s PRO 39 N 3.81 2.71 0.56 4.92 0.04 -1.26 -4.31 135.00 141.48 2rpq s PRO 39 Ca 0.82 1.00 0.28 0.00 0.04 0.00 0.00 61.00 63.14 2rpq s PRO 39 Cb -0.41 -1.96 1.66 0.00 0.04 0.00 0.00 34.50 33.83 2rpq s PRO 39 CO 0.37 -1.27 2.19 1.37 0.04 0.00 0.00 177.00 179.70 2rpq h LEU 40 N -0.85 0.00 -1.99 -3.56 8.10 -1.56 -1.54 115.31 113.91 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 1.22 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.41 2rpq h LEU 40 CO 0.55 0.04 0.50 0.77 -4.11 0.00 0.00 178.44 176.20 2rpq h SER 41 N 0.00 0.00 -0.14 0.17 4.64 -1.83 -2.36 113.55 114.03 2rpq h SER 41 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2rpq h SER 41 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2rpq h SER 41 CO 0.01 0.00 -0.08 0.50 -0.87 0.00 0.00 176.83 176.39 2rpq h LYS 42 N 0.00 0.30 -0.07 4.77 1.63 -1.62 -2.46 116.57 119.12 2rpq h LYS 42 Ca 0.31 -0.14 -0.10 0.00 -0.85 0.00 0.00 60.65 59.88 2rpq h LYS 42 Cb 1.32 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 2rpq h LYS 42 CO -0.00 0.64 -0.41 1.37 -3.45 0.00 0.00 179.45 177.60 2rpq h LEU 43 N -0.04 0.15 -0.51 5.20 -0.00 -1.68 -2.71 115.31 115.72 2rpq h LEU 43 Ca 0.03 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2rpq h LEU 43 Cb 0.55 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2rpq h LEU 43 CO 0.02 0.55 0.33 -0.03 -0.00 0.00 0.00 178.44 179.32 2rpq h MET 44 N 0.13 0.66 -0.51 0.17 4.05 -1.28 0.20 114.93 118.34 2rpq h MET 44 Ca 0.01 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 2rpq h MET 44 Cb 0.78 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 2rpq h MET 44 CO 0.06 0.44 -0.06 -0.22 0.23 0.00 0.00 176.91 177.36 2rpq h LYS 45 N 0.68 0.91 -0.60 0.39 3.64 -1.38 -2.27 116.57 117.94 2rpq h LYS 45 Ca 0.19 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 2rpq h LYS 45 Cb -0.07 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2rpq h LYS 45 CO -0.05 0.94 0.15 0.00 -2.27 0.00 0.00 179.45 178.23 2rpq h ALA 46 N 1.09 1.13 -0.64 5.00 0.00 -1.14 -1.65 119.26 123.05 2rpq h ALA 46 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2rpq h ALA 46 Cb 0.58 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2rpq h ALA 46 CO 0.04 0.59 0.38 -0.92 0.00 0.00 0.00 179.25 179.33 2rpq h TYR 47 N 0.90 0.85 -0.46 0.00 3.20 -0.45 0.19 116.97 121.20 2rpq h TYR 47 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2rpq h TYR 47 Cb 0.31 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2rpq h TYR 47 CO 0.02 0.58 0.23 0.00 -1.64 0.00 0.00 178.16 177.35 2rpq h GLU 49 N 0.60 0.05 -0.20 0.00 5.08 -1.07 -1.77 114.58 117.27 2rpq h GLU 49 Ca 0.16 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2rpq h GLU 49 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2rpq h GLU 49 CO -0.02 0.35 -0.36 0.00 -1.00 0.00 0.00 179.01 177.98 2rpq h ARG 50 N -0.25 0.60 -0.11 2.33 3.08 -0.98 -3.37 114.38 115.68 2rpq h ARG 50 Ca 0.01 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2rpq h ARG 50 Cb 0.33 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2rpq h ARG 50 CO 0.00 0.99 0.00 1.04 -1.07 0.00 0.00 179.97 180.93 2rpq n GLN 51 N -4.28 1.78 -0.85 0.04 1.13 0.01 -5.00 117.38 110.22 2rpq n GLN 51 Ca -0.06 -1.43 0.00 0.00 -1.94 0.00 0.00 57.00 53.57 2rpq n GLN 51 Cb 0.51 -1.13 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 0.12 0.60 3.88 1.08 0.00 -0.67 -4.97 105.19 105.23 2rpq n GLY 52 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 3.36 -0.16 0.99 1.43 -1.22 -5.02 118.68 118.06 2rpq s LEU 53 Ca 0.00 1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 2rpq s LEU 53 Cb 0.00 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 2rpq s LEU 53 CO 0.00 -0.78 0.09 -0.44 0.23 0.00 0.00 176.35 175.45 2rpq s SER 54 N -4.09 5.91 0.38 2.29 0.01 -1.26 -4.48 113.70 112.46 2rpq s SER 54 Ca 0.53 0.23 0.12 0.00 1.31 0.00 0.00 55.95 58.13 2rpq s SER 54 Cb -0.11 -1.95 0.75 0.00 0.21 0.00 0.00 66.02 64.92 2rpq s SER 54 CO 0.50 0.27 1.86 0.00 0.41 0.00 0.00 173.24 176.28 2rpq h MET 55 N 6.02 0.08 0.00 12.44 -0.00 -1.93 -1.82 114.93 129.73 2rpq h MET 55 Ca -0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 2rpq h MET 55 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2rpq h MET 55 CO 0.66 0.37 0.00 0.07 -0.00 0.00 0.00 176.91 178.01 2rpq h ARG 56 N 0.07 0.00 0.00 -0.10 0.11 -1.97 -3.24 114.38 109.26 2rpq h ARG 56 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2rpq h ARG 56 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2rpq h ARG 56 CO 0.04 0.00 -0.76 1.04 0.10 0.00 0.00 179.97 180.39 2rpq n GLN 57 N -2.30 0.16 -4.96 0.08 6.02 -0.69 -4.66 117.38 111.04 2rpq n GLN 57 Ca 0.05 0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.75 2rpq n GLN 57 Cb 0.40 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.11 2.18 0.05 5.09 -4.36 -1.18 -0.43 121.20 119.44 2rpq s ILE 58 Ca 0.07 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2rpq s ILE 58 Cb 0.15 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 2rpq s ILE 58 CO 0.76 0.40 -0.05 -0.13 0.24 0.00 0.00 174.94 176.15 2rpq s ARG 59 N -1.15 0.58 -0.04 0.37 1.81 -0.42 -4.90 118.95 115.20 2rpq s ARG 59 Ca 0.12 -0.98 0.04 0.00 -1.72 0.00 0.00 55.73 53.18 2rpq s ARG 59 Cb -0.10 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.31 2rpq s ARG 59 CO 0.02 -0.03 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.41 2rpq s PHE 60 N -2.58 2.70 0.07 -0.53 0.40 -1.26 -1.13 117.98 115.65 2rpq s PHE 60 Ca -0.02 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2rpq s PHE 60 Cb -0.02 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 2rpq s PHE 60 CO -0.04 0.20 -0.15 1.03 0.70 0.00 0.00 175.22 176.96 2rpq s ARG 61 N -0.79 0.88 -0.22 0.44 0.52 0.68 -2.65 118.95 117.80 2rpq s ARG 61 Ca 0.12 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 2rpq s ARG 61 Cb -0.11 -0.93 0.05 0.00 0.52 0.00 0.00 34.95 34.48 2rpq s ARG 61 CO 0.01 0.21 -0.09 0.12 0.02 0.00 0.00 175.30 175.57 2rpq s PHE 62 N -1.21 2.63 -1.35 -0.53 5.36 -0.00 -2.19 117.98 120.68 2rpq s PHE 62 Ca -0.00 -1.82 -0.06 0.00 -0.96 0.00 0.00 56.93 54.09 2rpq s PHE 62 Cb -0.10 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 2rpq s PHE 62 CO 0.02 -0.79 0.96 -3.47 -1.46 0.00 0.00 175.22 170.49 2rpq n ASP 63 N 4.62 -3.53 0.00 6.13 2.03 -1.26 -1.40 116.55 123.13 2rpq n ASP 63 Ca -0.14 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.48 2rpq n ASP 63 Cb 0.45 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 36.34 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 -1.61 0.88 3.51 0.27 0.00 -1.26 -5.02 105.19 101.95 2rpq n GLY 64 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 3.74 0.25 1.61 -0.21 -0.49 -5.07 119.66 119.42 2rpq s GLN 65 Ca 0.00 -0.46 -0.31 0.00 0.02 0.00 0.00 55.36 54.61 2rpq s GLN 65 Cb 0.00 -3.15 -0.13 0.00 1.00 0.00 0.00 33.01 30.72 2rpq s GLN 65 CO 0.00 0.07 1.38 -2.30 -2.12 0.00 0.00 175.29 172.32 2rpq n PRO 66 N 4.10 2.00 -5.01 2.91 -0.02 -1.26 -0.82 135.00 136.90 2rpq n PRO 66 Ca -0.17 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 2rpq n PRO 66 Cb 0.52 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.17 2.19 0.36 4.25 -4.36 -1.09 -4.85 121.20 117.53 2rpq s ILE 67 Ca 0.67 -1.28 0.08 0.00 -0.26 0.00 0.00 60.65 59.86 2rpq s ILE 67 Cb -0.65 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 2rpq s ILE 67 CO 0.51 0.43 0.16 0.20 0.24 0.00 0.00 174.94 176.48 2rpq s ASN 68 N -1.06 4.60 0.57 4.36 0.01 -1.26 -4.61 114.94 117.56 2rpq s ASN 68 Ca 0.11 -0.87 0.35 0.00 -0.71 0.00 0.00 52.86 51.75 2rpq s ASN 68 Cb -0.10 -0.64 1.70 0.00 0.41 0.00 0.00 41.25 42.62 2rpq s ASN 68 CO 0.01 -0.38 2.12 -0.33 -1.51 0.00 0.00 177.10 177.02 2rpq h GLU 69 N 1.51 0.00 0.00 -0.60 5.08 -2.01 -0.24 114.58 118.32 2rpq h GLU 69 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 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 0.65 0.04 -0.23 1.15 -1.00 0.00 0.00 179.01 179.63 2rpq h THR 70 N 0.00 0.00 -4.37 1.13 2.02 -1.99 -3.31 112.91 106.39 2rpq h THR 70 Ca -0.00 -0.56 -0.47 0.00 0.77 0.00 0.00 66.41 66.15 2rpq h THR 70 Cb 0.32 1.41 0.11 0.00 -1.74 0.00 0.00 68.15 68.26 2rpq h THR 70 CO 0.01 0.00 0.35 -1.81 0.37 0.00 0.00 175.52 174.43 2rpq s ASP 71 N -4.65 4.10 0.08 4.18 1.01 -0.10 -4.90 116.67 116.39 2rpq s ASP 71 Ca 0.09 0.98 -0.11 0.00 0.71 0.00 0.00 52.55 54.21 2rpq s ASP 71 Cb 0.12 -1.57 0.01 0.00 1.01 0.00 0.00 42.92 42.48 2rpq s ASP 71 CO 0.65 -2.18 0.25 0.42 0.21 0.00 0.00 175.17 174.51 2rpq s THR 72 N -3.35 0.12 0.50 -1.27 -4.23 -1.26 -1.90 115.64 104.24 2rpq s THR 72 Ca 0.62 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 60.31 2rpq s THR 72 Cb -0.13 -1.21 0.28 0.00 1.34 0.00 0.00 72.50 72.77 2rpq s THR 72 CO 0.52 -0.53 2.12 -0.65 -0.54 0.00 0.00 174.62 175.54 2rpq h PRO 73 N 2.81 0.12 -0.21 3.99 0.11 -1.74 -0.94 132.00 136.13 2rpq h PRO 73 Ca -0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2rpq h PRO 73 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2rpq h PRO 73 CO 0.52 0.08 -0.06 0.00 -0.21 0.00 0.00 178.00 178.33 2rpq h ALA 74 N 1.93 0.29 -0.23 -0.75 0.00 -1.55 -1.11 119.26 117.85 2rpq h ALA 74 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2rpq h ALA 74 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2rpq h ALA 74 CO -0.01 0.08 -0.39 1.96 0.00 0.00 0.00 179.25 180.89 2rpq h GLN 75 N 0.13 0.67 -0.00 0.00 4.20 -1.79 -3.13 115.11 115.18 2rpq h GLN 75 Ca 0.05 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2rpq h GLN 75 Cb 0.51 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2rpq h GLN 75 CO 0.02 1.03 -0.19 -0.11 -0.67 0.00 0.00 178.83 178.91 2rpq n LEU 76 N -4.22 0.29 -3.05 1.46 -0.00 -0.38 -4.94 117.00 106.17 2rpq n LEU 76 Ca -0.05 0.20 -0.15 0.00 -0.00 0.00 0.00 56.01 56.00 2rpq n LEU 76 Cb 0.53 -0.33 0.07 0.00 -0.00 0.00 0.00 43.42 43.70 2rpq n LEU 76 CO 0.46 0.06 0.11 -0.62 -0.00 0.00 0.00 177.39 177.41 2rpq n GLU 77 N -1.35 -5.77 -1.99 1.96 1.02 -0.84 -5.01 120.64 108.66 2rpq n GLU 77 Ca 0.09 0.71 -0.37 0.00 -0.02 0.00 0.00 57.16 57.57 2rpq n GLU 77 Cb 0.32 -5.33 0.03 0.00 -0.02 0.00 0.00 31.44 26.44 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 -5.31 3.12 0.54 3.49 -1.94 -0.48 -5.04 119.30 113.68 2rpq s MET 78 Ca 0.09 1.93 0.09 0.00 -1.71 0.00 0.00 55.69 56.08 2rpq s MET 78 Cb -0.04 -2.08 0.06 0.00 2.01 0.00 0.00 34.83 34.79 2rpq s MET 78 CO 0.61 -1.11 0.69 -1.21 -0.01 0.00 0.00 175.02 173.99 2rpq s GLU 79 N -3.13 2.39 0.56 2.03 2.02 -1.26 -4.92 118.70 116.40 2rpq s GLU 79 Ca 0.74 -1.62 0.25 0.00 0.02 0.00 0.00 54.97 54.36 2rpq s GLU 79 Cb -0.33 -2.59 1.63 0.00 0.10 0.00 0.00 34.13 32.94 2rpq s GLU 79 CO 0.37 -0.71 2.21 0.38 0.02 0.00 0.00 175.26 177.53 2rpq h ASP 80 N 0.36 0.00 -3.02 -0.19 2.03 -1.96 -3.06 116.42 110.58 2rpq h ASP 80 Ca -0.33 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.38 2rpq h ASP 80 Cb 1.29 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.39 2rpq h ASP 80 CO 0.44 0.02 -0.79 -1.61 -1.03 0.00 0.00 179.24 176.26 2rpq s GLU 81 N -4.72 0.85 0.66 4.15 2.02 -1.19 -0.31 118.70 120.17 2rpq s GLU 81 Ca -0.05 -1.56 -0.10 0.00 0.02 0.00 0.00 54.97 53.28 2rpq s GLU 81 Cb 0.15 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.62 2rpq s GLU 81 CO 0.59 -1.17 1.03 0.34 0.02 0.00 0.00 175.26 176.07 2rpq s ASP 82 N 0.85 5.65 -0.16 -0.19 2.15 0.11 -4.88 116.67 120.20 2rpq s ASP 82 Ca 0.17 1.09 -0.01 0.00 0.43 0.00 0.00 52.55 54.23 2rpq s ASP 82 Cb -0.23 -1.99 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2rpq s ASP 82 CO -0.02 -1.17 -0.03 -0.89 -0.17 0.00 0.00 175.17 172.88 2rpq s THR 83 N -3.23 0.92 -0.01 1.71 2.01 -1.26 -0.61 115.64 115.18 2rpq s THR 83 Ca 0.56 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2rpq s THR 83 Cb -0.11 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2rpq s THR 83 CO 0.51 0.10 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.65 2rpq s ILE 84 N 1.71 2.05 -0.08 1.82 -1.09 0.02 -4.99 121.20 120.65 2rpq s ILE 84 Ca 0.01 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 2rpq s ILE 84 Cb -0.15 -1.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 2rpq s ILE 84 CO -0.07 0.54 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.48 2rpq s ASP 85 N -0.71 4.57 -0.09 3.58 2.15 -0.93 -1.25 116.67 123.98 2rpq s ASP 85 Ca 0.10 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.04 2rpq s ASP 85 Cb -0.10 -1.23 -0.02 0.00 -0.30 0.00 0.00 42.92 41.28 2rpq s ASP 85 CO -0.00 0.33 -0.16 -0.69 -0.17 0.00 0.00 175.17 174.47 2rpq s VAL 86 N -0.61 2.81 -0.05 1.11 1.01 -0.58 -0.23 120.40 123.87 2rpq s VAL 86 Ca 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2rpq s VAL 86 Cb -0.12 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2rpq s VAL 86 CO 0.02 0.55 -0.18 0.12 0.00 0.00 0.00 175.10 175.61 2rpq s PHE 87 N -0.03 2.59 0.03 5.22 5.36 -0.28 -3.41 117.98 127.46 2rpq s PHE 87 Ca -0.04 -0.32 -0.20 0.00 -0.96 0.00 0.00 56.93 55.40 2rpq s PHE 87 Cb -0.14 -1.61 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 2rpq s PHE 87 CO 0.04 0.06 0.58 -1.14 -1.46 0.00 0.00 175.22 173.30 2rpq s GLN 88 N -0.56 4.26 0.00 10.12 0.74 -1.26 -1.30 119.66 131.66 2rpq s GLN 88 Ca 0.08 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.22 2rpq s GLN 88 Cb -0.11 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.70 2rpq s GLN 88 CO 0.01 0.49 0.00 1.04 -0.55 0.00 0.00 175.29 176.28 2rpq n GLN 89 N 2.28 3.63 -1.75 1.67 1.13 0.43 -4.96 117.38 119.80 2rpq n GLN 89 Ca -0.08 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.55 2rpq n GLN 89 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.83 2rpq n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2rpq s GLN 90 N 2.64 3.31 0.00 -1.09 0.74 -1.26 -4.87 119.66 119.13 2rpq s GLN 90 Ca 0.00 1.89 0.23 0.00 0.05 0.00 0.00 55.36 57.53 2rpq s GLN 90 Cb 0.00 -4.28 0.19 0.00 1.10 0.00 0.00 33.01 30.01 2rpq s GLN 90 CO 0.00 -1.89 1.19 0.25 -0.55 0.00 0.00 175.29 174.29 2rpq n THR 91 N 7.39 0.00 1.94 -0.34 -2.24 -1.26 -4.15 114.28 115.62 2rpq n THR 91 Ca 0.26 -0.01 0.16 0.00 -2.27 0.00 0.00 64.05 62.19 2rpq n THR 91 Cb 0.45 0.61 0.93 0.00 -2.10 0.00 0.00 70.33 70.21 2rpq n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rpq n GLY 92 N 1.49 -1.01 0.00 3.38 0.00 -1.26 -5.13 105.19 102.66 2rpq n GLY 92 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2rpq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93