#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ril s SER 2 N 0.00 5.09 0.06 1.61 0.01 -1.26 -5.23 113.70 113.98 2ril s SER 2 Ca 0.00 -0.27 -0.27 0.00 1.31 0.00 0.00 55.95 56.72 2ril s SER 2 Cb 0.00 -1.20 0.07 0.00 0.21 0.00 0.00 66.02 65.10 2ril s SER 2 CO 0.00 0.09 0.66 0.00 0.41 0.00 0.00 173.24 174.39 2ril s ALA 3 N -1.71 -1.69 0.59 1.44 0.00 -1.26 -5.07 121.76 114.06 2ril s ALA 3 Ca 0.29 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 2ril s ALA 3 Cb -0.10 0.47 -0.06 0.00 0.00 0.00 0.00 23.12 23.43 2ril s ALA 3 CO 0.20 -0.60 0.86 -2.30 0.00 0.00 0.00 175.76 173.93 2ril n PRO 4 N 0.16 0.82 -3.88 0.00 -0.02 -1.05 -4.05 135.00 126.99 2ril n PRO 4 Ca -0.17 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2ril n PRO 4 Cb 0.61 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 2ril n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ril s VAL 5 N -1.55 0.09 -0.18 -1.45 0.11 -0.39 -4.92 120.40 112.11 2ril s VAL 5 Ca 0.74 -0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2ril s VAL 5 Cb -0.43 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2ril s VAL 5 CO 0.49 -0.41 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.92 2ril s THR 6 N -1.50 3.62 -0.09 5.04 2.01 -0.11 -0.98 115.64 123.63 2ril s THR 6 Ca -0.14 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 2ril s THR 6 Cb -0.07 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2ril s THR 6 CO 0.01 0.46 0.69 -0.22 -0.69 0.00 0.00 174.62 174.88 2ril s LEU 7 N 0.81 4.28 -0.15 4.42 2.96 0.79 -0.18 118.68 131.61 2ril s LEU 7 Ca -0.01 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2ril s LEU 7 Cb -0.15 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.50 2ril s LEU 7 CO 0.02 -0.15 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.07 2ril s ILE 8 N 1.04 2.32 -0.36 6.68 1.01 -0.49 -1.01 121.20 130.39 2ril s ILE 8 Ca 0.36 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2ril s ILE 8 Cb -0.17 -1.96 0.11 0.00 0.01 0.00 0.00 42.46 40.45 2ril s ILE 8 CO 0.16 0.53 0.14 0.21 0.00 0.00 0.00 174.94 175.98 2ril s ASN 9 N 0.89 4.00 0.03 3.58 3.84 -0.07 -2.15 114.94 125.06 2ril s ASN 9 Ca -0.05 -2.03 -0.28 0.00 0.21 0.00 0.00 52.86 50.72 2ril s ASN 9 Cb -0.15 -1.02 -0.04 0.00 -0.55 0.00 0.00 41.25 39.49 2ril s ASN 9 CO -0.02 -0.36 0.88 -2.16 -2.79 0.00 0.00 177.10 172.64 2ril s PRO 10 N 1.11 4.57 -0.11 0.43 0.04 -1.26 -1.17 135.00 138.61 2ril s PRO 10 Ca 0.12 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2ril s PRO 10 Cb -0.20 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2ril s PRO 10 CO -0.15 0.12 -0.07 -0.06 0.04 0.00 0.00 177.00 176.88 2ril s PHE 11 N 0.44 2.94 -0.38 0.56 0.08 0.45 -2.85 117.98 119.22 2ril s PHE 11 Ca 0.45 -0.23 -0.22 0.00 0.12 0.00 0.00 56.93 57.06 2ril s PHE 11 Cb -0.21 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2ril s PHE 11 CO 0.26 0.09 0.70 0.15 -0.10 0.00 0.00 175.22 176.31 2ril s LYS 12 N -0.16 3.62 -0.25 0.44 1.02 -1.26 -3.16 119.74 120.00 2ril s LYS 12 Ca 0.02 0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.96 2ril s LYS 12 Cb -0.13 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.29 2ril s LYS 12 CO 0.03 -0.84 0.18 0.08 -0.92 0.00 0.00 175.35 173.87 2ril s VAL 13 N 2.90 5.34 0.54 3.17 1.01 -1.26 -4.36 120.40 127.74 2ril s VAL 13 Ca 0.27 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2ril s VAL 13 Cb -0.14 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2ril s VAL 13 CO 0.17 0.32 1.15 -2.65 0.00 0.00 0.00 175.10 174.09 2ril n PRO 14 N 4.48 1.34 -1.60 2.72 -0.02 -1.26 -4.88 135.00 135.78 2ril n PRO 14 Ca -0.14 0.50 -0.49 0.00 -2.02 0.00 0.00 63.50 61.34 2ril n PRO 14 Cb 0.52 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2ril n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ril n ALA 15 N -1.18 -0.43 -0.96 3.55 0.00 -1.26 -1.41 120.51 118.82 2ril n ALA 15 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2ril n ALA 15 Cb 0.44 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2ril n ALA 15 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ril n ASP 16 N 2.31 -3.93 -0.93 0.00 2.03 -1.26 -4.88 116.55 109.89 2ril n ASP 16 Ca 0.16 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.48 2ril n ASP 16 Cb 0.24 -2.02 0.21 0.00 -0.72 0.00 0.00 41.12 38.83 2ril n ASP 16 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ril n LYS 17 N -1.00 1.94 -0.14 -0.67 4.76 -0.50 -4.78 118.16 117.77 2ril n LYS 17 Ca 0.00 -3.09 -0.08 0.00 -2.87 0.00 0.00 58.31 52.27 2ril n LYS 17 Cb 0.23 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2ril n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2ril h LEU 18 N 1.04 0.49 -0.58 -0.35 5.85 -1.90 -1.52 115.31 118.34 2ril h LEU 18 Ca 0.13 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2ril h LEU 18 Cb 1.47 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2ril h LEU 18 CO 0.27 0.37 0.05 -0.08 -0.34 0.00 0.00 178.44 178.71 2ril h GLU 19 N 0.56 0.99 -0.94 1.25 4.57 -1.98 0.21 114.58 119.25 2ril h GLU 19 Ca 0.15 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2ril h GLU 19 Cb -0.04 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 2ril h GLU 19 CO -0.03 0.96 0.62 0.00 -1.18 0.00 0.00 179.01 179.38 2ril h ALA 20 N 0.99 1.20 -0.42 2.92 0.00 -1.89 -1.30 119.26 120.77 2ril h ALA 20 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2ril h ALA 20 Cb 0.48 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2ril h ALA 20 CO 0.02 0.56 0.11 0.00 0.00 0.00 0.00 179.25 179.94 2ril h ALA 21 N 1.36 0.55 -0.51 0.00 0.00 -0.46 -1.35 119.26 118.85 2ril h ALA 21 Ca 0.35 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2ril h ALA 21 Cb -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2ril h ALA 21 CO -0.09 0.23 0.18 0.82 0.00 0.00 0.00 179.25 180.39 2ril h ILE 22 N 0.54 0.82 -0.21 0.00 2.04 -0.67 -0.51 117.51 119.53 2ril h ILE 22 Ca 0.13 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2ril h ILE 22 Cb 0.31 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2ril h ILE 22 CO 0.00 0.07 -0.44 -0.33 0.00 0.00 0.00 178.15 177.45 2ril h GLU 23 N 0.36 0.51 -0.26 2.37 5.08 -1.02 0.12 114.58 121.74 2ril h GLU 23 Ca 0.25 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2ril h GLU 23 Cb 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2ril h GLU 23 CO -0.25 0.85 0.17 -0.92 -1.00 0.00 0.00 179.01 177.86 2ril h TYR 24 N 0.41 0.32 -0.56 4.33 5.03 -1.04 -2.12 116.97 123.34 2ril h TYR 24 Ca 0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2ril h TYR 24 Cb 0.93 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 2ril h TYR 24 CO 0.03 0.21 0.37 2.35 -1.32 0.00 0.00 178.16 179.80 2ril h TRP 25 N 0.34 0.71 -0.95 -3.82 7.01 -0.41 -2.54 115.95 116.29 2ril h TRP 25 Ca 0.09 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.12 2ril h TRP 25 Cb -0.03 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 26.74 2ril h TRP 25 CO -0.06 0.46 0.63 0.93 -2.79 0.00 0.00 178.44 177.61 2ril h GLU 26 N 0.76 1.24 -0.90 2.65 5.08 -0.54 0.89 114.58 123.77 2ril h GLU 26 Ca 0.21 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2ril h GLU 26 Cb -0.08 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 28.85 2ril h GLU 26 CO -0.04 0.82 0.56 0.00 -1.00 0.00 0.00 179.01 179.35 2ril h ALA 27 N 1.36 1.14 -0.37 3.43 0.00 -1.02 -0.07 119.26 123.72 2ril h ALA 27 Ca 0.36 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2ril h ALA 27 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.29 2ril h ALA 27 CO -0.08 0.59 -0.14 0.45 0.00 0.00 0.00 179.25 180.06 2ril h HIS 28 N 1.23 0.86 -0.43 0.00 3.86 -0.99 -2.91 115.15 116.77 2ril h HIS 28 Ca 0.32 -0.20 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 2ril h HIS 28 Cb -0.08 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.13 2ril h HIS 28 CO -0.00 0.92 0.08 -0.09 0.86 0.00 0.00 177.93 179.70 2ril h ARG 29 N 0.55 0.21 -0.75 2.45 2.43 -0.52 -2.27 114.38 116.48 2ril h ARG 29 Ca 0.09 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2ril h ARG 29 Cb 0.67 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2ril h ARG 29 CO 0.05 0.14 0.49 -0.44 -1.51 0.00 0.00 179.97 178.69 2ril h ASP 30 N 0.21 0.67 0.00 -3.80 3.32 -0.93 0.29 116.42 116.18 2ril h ASP 30 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2ril h ASP 30 Cb 0.26 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2ril h ASP 30 CO -0.28 0.43 0.00 0.33 -1.72 0.00 0.00 179.24 178.00 2ril n PHE 31 N -4.49 0.00 0.00 4.55 7.35 -0.86 -3.77 117.46 120.25 2ril n PHE 31 Ca 0.11 -0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2ril n PHE 31 Cb 0.25 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.01 2ril n PHE 31 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ril n ALA 33 N 0.37 0.00 1.51 3.13 0.00 0.10 -3.86 120.51 121.76 2ril n ALA 33 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2ril n ALA 33 Cb 0.14 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.17 2ril n ALA 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ril n GLN 34 N 0.00 1.24 -3.54 0.00 1.13 -1.25 -4.89 117.38 110.08 2ril n GLN 34 Ca 0.00 -0.61 -0.35 0.00 -1.94 0.00 0.00 57.00 54.10 2ril n GLN 34 Cb 0.00 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.81 2ril n GLN 34 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ril s GLN 35 N -2.18 3.80 0.25 -1.09 -1.52 -1.25 -5.02 119.66 112.65 2ril s GLN 35 Ca 0.35 0.24 -0.31 0.00 -1.95 0.00 0.00 55.36 53.69 2ril s GLN 35 Cb 0.21 -3.00 -0.13 0.00 -0.22 0.00 0.00 33.01 29.86 2ril s GLN 35 CO 0.40 0.56 1.39 -2.30 -0.25 0.00 0.00 175.29 175.08 2ril n PRO 36 N 0.95 2.02 -0.06 2.91 -0.02 -1.26 -2.46 135.00 137.07 2ril n PRO 36 Ca -0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ril n PRO 36 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ril n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ril n GLY 37 N 2.00 1.04 3.69 -1.23 0.00 -1.26 -4.74 105.19 104.70 2ril n GLY 37 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2ril n GLY 37 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ril s TYR 38 N -2.43 2.88 -0.16 1.61 5.04 -1.03 -0.36 117.35 122.89 2ril s TYR 38 Ca 0.00 0.77 -0.10 0.00 -2.44 0.00 0.00 57.07 55.31 2ril s TYR 38 Cb 0.00 -3.71 -0.07 0.00 0.35 0.00 0.00 41.96 38.53 2ril s TYR 38 CO 0.00 -2.64 -0.23 1.28 -1.34 0.00 0.00 175.55 172.62 2ril n LEU 39 N 5.08 1.34 -3.67 6.97 4.77 -0.18 -4.91 117.00 126.39 2ril n LEU 39 Ca 0.13 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2ril n LEU 39 Cb 0.43 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2ril n LEU 39 CO 0.59 0.19 0.72 -0.94 -1.33 0.00 0.00 177.39 176.62 2ril s SER 40 N -6.46 -0.23 0.06 -1.43 1.04 -1.02 -4.99 113.70 100.67 2ril s SER 40 Ca -0.24 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 2ril s SER 40 Cb 0.08 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2ril s SER 40 CO 0.31 -0.80 0.31 0.28 0.98 0.00 0.00 173.24 174.31 2ril s THR 41 N -3.22 0.09 -0.20 2.02 -1.32 -1.26 -0.51 115.64 111.24 2ril s THR 41 Ca 0.10 -0.72 -0.04 0.00 -1.21 0.00 0.00 61.69 59.82 2ril s THR 41 Cb -0.01 -1.03 0.07 0.00 -1.51 0.00 0.00 72.50 70.02 2ril s THR 41 CO -0.01 -0.40 0.08 -1.10 -2.21 0.00 0.00 174.62 170.98 2ril s GLN 42 N -2.91 0.30 -0.23 7.08 -0.21 0.18 -4.98 119.66 118.89 2ril s GLN 42 Ca -0.02 -0.30 -0.22 0.00 0.02 0.00 0.00 55.36 54.83 2ril s GLN 42 Cb 0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 2ril s GLN 42 CO -0.06 -0.73 0.71 -1.17 -2.12 0.00 0.00 175.29 171.92 2ril s LEU 43 N 2.02 4.10 -0.13 2.90 2.96 -1.26 -1.35 118.68 127.91 2ril s LEU 43 Ca 0.02 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 54.75 2ril s LEU 43 Cb -0.16 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2ril s LEU 43 CO -0.14 -0.40 0.10 -1.00 -1.32 0.00 0.00 176.35 173.60 2ril s HIS 44 N 2.44 3.44 -0.09 5.38 3.76 0.24 -4.97 115.29 125.49 2ril s HIS 44 Ca 0.30 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.60 2ril s HIS 44 Cb -0.16 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 2ril s HIS 44 CO 0.09 0.55 -0.12 -1.14 -0.85 0.00 0.00 174.74 173.27 2ril s GLN 45 N -0.63 2.97 0.39 1.40 0.74 -1.26 -0.98 119.66 122.29 2ril s GLN 45 Ca 0.12 -0.66 -0.27 0.00 0.05 0.00 0.00 55.36 54.61 2ril s GLN 45 Cb -0.12 -2.54 -0.09 0.00 1.10 0.00 0.00 33.01 31.36 2ril s GLN 45 CO 0.02 0.44 1.30 -1.54 -0.55 0.00 0.00 175.29 174.96 2ril s SER 46 N -0.24 6.45 0.13 6.67 1.04 0.30 -4.93 113.70 123.12 2ril s SER 46 Ca 0.02 2.64 -0.19 0.00 0.48 0.00 0.00 55.95 58.90 2ril s SER 46 Cb -0.13 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.30 2ril s SER 46 CO 0.03 -0.75 1.77 0.40 0.98 0.00 0.00 173.24 175.66 2ril h ILE 47 N 2.61 1.08 -3.50 -1.02 1.08 -1.96 -3.42 117.51 112.38 2ril h ILE 47 Ca -0.49 -0.18 -0.61 0.00 -0.39 0.00 0.00 64.86 63.19 2ril h ILE 47 Cb 1.24 0.74 -0.12 0.00 -3.07 0.00 0.00 36.82 35.61 2ril h ILE 47 CO 0.63 0.08 0.10 -0.62 -0.69 0.00 0.00 178.15 177.65 2ril s ASP 48 N -5.46 6.54 0.58 1.72 -1.08 -1.26 -4.95 116.67 112.76 2ril s ASP 48 Ca -0.13 0.66 0.28 0.00 -0.52 0.00 0.00 52.55 52.84 2ril s ASP 48 Cb 0.09 -2.32 1.60 0.00 -1.46 0.00 0.00 42.92 40.83 2ril s ASP 48 CO 0.70 -0.33 2.07 -0.08 0.52 0.00 0.00 175.17 178.06 2ril h GLU 49 N 7.88 0.00 -0.08 4.34 4.81 -2.00 -2.08 114.58 127.45 2ril h GLU 49 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2ril h GLU 49 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2ril h GLU 49 CO 0.75 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 2ril n GLY 50 N -1.44 0.05 3.63 1.92 0.00 -1.26 -4.90 105.19 103.20 2ril n GLY 50 Ca 0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 2ril n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ril n ALA 51 N 0.16 0.32 -0.18 4.61 0.00 -0.79 -4.90 120.51 119.74 2ril n ALA 51 Ca 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 2ril n ALA 51 Cb 0.32 -2.14 0.08 0.00 0.00 0.00 0.00 19.45 17.71 2ril n ALA 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2ril h THR 52 N 0.46 0.82 -3.54 0.00 2.02 -1.91 -3.35 112.91 107.40 2ril h THR 52 Ca -0.49 -0.13 -0.68 0.00 0.77 0.00 0.00 66.41 65.88 2ril h THR 52 Cb 1.36 0.40 -0.36 0.00 -1.74 0.00 0.00 68.15 67.81 2ril h THR 52 CO 0.51 0.07 -0.59 -0.31 0.37 0.00 0.00 175.52 175.57 2ril s TYR 53 N -6.12 3.61 0.16 3.16 2.02 -1.26 -4.52 117.35 114.40 2ril s TYR 53 Ca -0.13 -2.65 0.24 0.00 -0.37 0.00 0.00 57.07 54.17 2ril s TYR 53 Cb 0.15 -3.12 0.96 0.00 -0.40 0.00 0.00 41.96 39.55 2ril s TYR 53 CO 0.74 -0.95 1.84 0.37 -1.57 0.00 0.00 175.55 175.98 2ril h GLN 54 N 7.78 0.00 -5.17 -0.62 4.15 -1.69 -3.41 115.11 116.15 2ril h GLN 54 Ca -0.09 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.80 2ril h GLN 54 Cb 1.03 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.41 2ril h GLN 54 CO 0.65 0.22 -0.83 -0.51 -1.93 0.00 0.00 178.83 176.43 2ril s LEU 55 N -6.82 1.90 -0.09 -2.39 1.43 -1.25 -0.54 118.68 110.92 2ril s LEU 55 Ca 0.00 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2ril s LEU 55 Cb 0.10 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.49 2ril s LEU 55 CO 0.63 0.14 0.03 -0.63 0.23 0.00 0.00 176.35 176.75 2ril s ILE 56 N 0.03 0.24 0.08 -0.59 1.01 -0.15 -0.41 121.20 121.41 2ril s ILE 56 Ca -0.03 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2ril s ILE 56 Cb -0.10 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.79 2ril s ILE 56 CO 0.01 0.14 0.53 0.21 0.00 0.00 0.00 174.94 175.83 2ril s ASN 57 N 2.02 6.95 -0.23 3.58 2.47 -0.32 -0.59 114.94 128.82 2ril s ASN 57 Ca 0.04 1.15 -0.01 0.00 0.42 0.00 0.00 52.86 54.47 2ril s ASN 57 Cb -0.13 -2.32 0.06 0.00 -1.45 0.00 0.00 41.25 37.42 2ril s ASN 57 CO -0.05 0.24 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.88 2ril s VAL 58 N -1.19 1.12 0.12 -5.21 1.01 -0.45 -0.89 120.40 114.91 2ril s VAL 58 Ca 0.30 -1.03 0.11 0.00 0.00 0.00 0.00 61.98 61.36 2ril s VAL 58 Cb -0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2ril s VAL 58 CO 0.18 -0.21 -0.27 0.00 0.00 0.00 0.00 175.10 174.80 2ril s ALA 59 N 1.57 2.36 -0.15 5.51 0.00 -0.18 -0.65 121.76 130.22 2ril s ALA 59 Ca -0.02 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2ril s ALA 59 Cb -0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2ril s ALA 59 CO -0.09 0.53 -0.16 0.42 0.00 0.00 0.00 175.76 176.47 2ril s ILE 60 N -1.05 2.58 0.13 0.00 1.01 0.34 -0.15 121.20 124.06 2ril s ILE 60 Ca 0.14 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 60.08 2ril s ILE 60 Cb -0.10 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2ril s ILE 60 CO 0.06 0.52 -0.20 0.26 0.00 0.00 0.00 174.94 175.58 2ril s TRP 61 N 0.79 2.48 0.41 3.97 0.52 -0.15 -1.02 118.94 125.94 2ril s TRP 61 Ca -0.06 -0.29 0.16 0.00 0.02 0.00 0.00 56.10 55.93 2ril s TRP 61 Cb -0.15 -1.31 0.99 0.00 -1.15 0.00 0.00 33.47 31.84 2ril s TRP 61 CO 0.00 0.39 1.95 0.37 0.02 0.00 0.00 176.95 179.67 2ril h GLN 62 N 3.71 0.00 -2.93 4.98 5.75 -1.00 -1.04 115.11 124.59 2ril h GLN 62 Ca -0.50 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.01 2ril h GLN 62 Cb 1.17 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.61 2ril h GLN 62 CO 0.45 0.24 0.24 -1.54 -2.65 0.00 0.00 178.83 175.57 2ril s SER 63 N -6.81 -0.50 0.16 -0.69 1.04 -1.26 -2.53 113.70 103.12 2ril s SER 63 Ca -0.03 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 2ril s SER 63 Cb 0.15 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.95 2ril s SER 63 CO 0.68 -1.00 1.77 -0.33 0.98 0.00 0.00 173.24 175.34 2ril h GLU 64 N 2.00 0.35 -0.49 4.02 5.08 -1.88 -2.19 114.58 121.47 2ril h GLU 64 Ca -0.30 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2ril h GLU 64 Cb 1.29 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2ril h GLU 64 CO 0.35 0.23 0.16 0.00 -1.00 0.00 0.00 179.01 178.75 2ril h ALA 65 N 1.23 0.59 -0.45 3.43 0.00 -1.95 -0.13 119.26 121.98 2ril h ALA 65 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ril h ALA 65 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ril h ALA 65 CO -0.15 -0.23 0.29 -0.44 0.00 0.00 0.00 179.25 178.72 2ril h ASP 66 N 0.33 0.52 -0.25 0.00 3.32 -1.82 -1.31 116.42 117.22 2ril h ASP 66 Ca 0.23 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2ril h ASP 66 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2ril h ASP 66 CO -0.25 0.40 0.17 0.15 -1.72 0.00 0.00 179.24 177.99 2ril h PHE 67 N 0.60 0.32 -0.69 4.55 3.57 -0.92 -1.83 116.94 122.53 2ril h PHE 67 Ca 0.16 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2ril h PHE 67 Cb -0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2ril h PHE 67 CO -0.04 0.20 0.25 1.88 -2.23 0.00 0.00 178.31 178.37 2ril h TYR 68 N 0.34 1.06 -0.31 0.41 0.05 -0.84 0.12 116.97 117.80 2ril h TYR 68 Ca 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ril h TYR 68 Cb -0.04 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.37 2ril h TYR 68 CO -0.06 0.82 0.15 1.96 -1.05 0.00 0.00 178.16 179.98 2ril h GLN 69 N 1.01 0.45 -0.73 4.88 1.08 -1.17 -2.00 115.11 118.63 2ril h GLN 69 Ca 0.23 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2ril h GLN 69 Cb 0.23 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 2ril h GLN 69 CO -0.02 0.41 0.36 0.00 -0.95 0.00 0.00 178.83 178.64 2ril h ALA 70 N 1.01 0.94 -0.83 3.87 0.00 -0.72 -0.25 119.26 123.28 2ril h ALA 70 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ril h ALA 70 Cb 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2ril h ALA 70 CO -0.01 0.49 0.40 0.00 0.00 0.00 0.00 179.25 180.12 2ril h ALA 71 N 1.18 1.13 -0.37 0.00 0.00 -0.64 -2.69 119.26 117.87 2ril h ALA 71 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ril h ALA 71 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2ril h ALA 71 CO -0.03 0.66 0.13 0.37 0.00 0.00 0.00 179.25 180.37 2ril h GLN 72 N 1.19 0.57 -1.96 0.00 4.15 -0.80 -2.58 115.11 115.68 2ril h GLN 72 Ca 0.29 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2ril h GLN 72 Cb 0.12 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2ril h GLN 72 CO -0.04 0.57 0.00 1.63 -1.93 0.00 0.00 178.83 179.06 2ril n LYS 73 N -4.64 0.06 0.00 1.69 5.02 -0.15 -3.00 118.16 117.13 2ril n LYS 73 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2ril n LYS 73 Cb 0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2ril n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ril n ARG 75 N 1.25 0.00 -0.04 1.97 1.74 -0.97 -1.32 116.66 119.29 2ril n ARG 75 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2ril n ARG 75 Cb 0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.38 2ril n ARG 75 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2ril h GLN 76 N 0.00 0.24 -0.04 5.56 4.15 -1.84 -2.51 115.11 120.66 2ril h GLN 76 Ca 0.00 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.14 2ril h GLN 76 Cb 0.00 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.72 2ril h GLN 76 CO 0.00 0.77 -0.42 0.00 -1.93 0.00 0.00 178.83 177.26 2ril h ALA 77 N 0.46 0.10 -0.11 3.38 0.00 -1.52 -3.37 119.26 118.20 2ril h ALA 77 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ril h ALA 77 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ril h ALA 77 CO 0.04 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.81 2ril n LEU 78 N -4.35 2.08 0.00 0.00 4.77 -1.26 -5.24 117.00 112.99 2ril n LEU 78 Ca -0.09 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 2ril n LEU 78 Cb 0.57 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2ril n LEU 78 CO 0.43 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2ril n GLY 79 N 0.31 1.43 3.42 -0.72 0.00 -0.95 -4.98 105.19 103.70 2ril n GLY 79 Ca 0.06 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2ril n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ril s GLU 84 N 0.00 3.56 0.00 1.61 8.01 -1.26 -4.34 118.70 126.28 2ril s GLU 84 Ca 0.00 -0.54 0.00 0.00 0.01 0.00 0.00 54.97 54.44 2ril s GLU 84 Cb 0.00 -3.07 0.00 0.00 -4.31 0.00 0.00 34.13 26.75 2ril s GLU 84 CO 0.00 -0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.64 2ril n GLY 85 N 4.39 2.18 3.45 -1.39 0.00 -1.26 -4.88 105.19 107.69 2ril n GLY 85 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2ril n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ril s LEU 86 N 0.00 0.09 0.34 0.99 2.96 -1.26 -4.66 118.68 117.14 2ril s LEU 86 Ca 0.00 1.05 -0.15 0.00 -0.22 0.00 0.00 54.13 54.81 2ril s LEU 86 Cb 0.00 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.96 2ril s LEU 86 CO 0.00 -4.56 0.70 -0.83 -1.32 0.00 0.00 176.35 170.34 2ril s GLY 88 N -3.10 0.40 -0.45 7.98 0.00 -1.26 -4.99 107.32 105.90 2ril s GLY 88 Ca 0.69 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.74 2ril s GLY 88 CO 0.60 -0.37 0.91 -2.01 0.00 0.00 0.00 173.10 172.23 2ril n ASN 89 N -1.05 -1.77 -4.77 1.64 2.85 -1.13 -4.97 115.26 106.05 2ril n ASN 89 Ca -0.05 -3.35 -0.39 0.00 -0.11 0.00 0.00 54.58 50.68 2ril n ASN 89 Cb 0.60 1.22 -0.03 0.00 1.24 0.00 0.00 39.78 42.81 2ril n ASN 89 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2ril s PRO 90 N -0.15 4.31 0.08 1.20 0.04 -1.26 -4.34 135.00 134.88 2ril s PRO 90 Ca 0.30 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2ril s PRO 90 Cb 0.26 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.90 2ril s PRO 90 CO -0.13 -0.11 0.30 0.00 0.04 0.00 0.00 177.00 177.10 2ril s ALA 91 N -1.28 -0.62 0.06 8.56 0.00 -0.92 -5.02 121.76 122.54 2ril s ALA 91 Ca 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2ril s ALA 91 Cb -0.33 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2ril s ALA 91 CO 0.42 -0.50 0.27 -0.51 0.00 0.00 0.00 175.76 175.45 2ril s LEU 92 N -2.47 4.34 0.06 0.00 1.43 -1.26 -1.40 118.68 119.38 2ril s LEU 92 Ca -0.00 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2ril s LEU 92 Cb 0.01 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 2ril s LEU 92 CO -0.08 0.17 0.02 -0.31 0.23 0.00 0.00 176.35 176.38 2ril s TYR 93 N -1.48 0.47 0.12 0.29 1.51 0.75 -4.97 117.35 114.05 2ril s TYR 93 Ca 0.34 -0.99 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 2ril s TYR 93 Cb -0.13 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 2ril s TYR 93 CO 0.23 -0.42 -0.15 1.03 -1.11 0.00 0.00 175.55 175.13 2ril s ARG 94 N -3.92 1.04 -0.06 -0.62 0.52 -1.26 -0.93 118.95 113.71 2ril s ARG 94 Ca 0.08 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 53.76 2ril s ARG 94 Cb 0.07 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 2ril s ARG 94 CO -0.09 0.19 1.01 0.08 0.02 0.00 0.00 175.30 176.51 2ril s VAL 95 N -2.04 4.77 -0.01 3.52 1.01 -1.26 -4.93 120.40 121.46 2ril s VAL 95 Ca 0.09 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.15 2ril s VAL 95 Cb -0.05 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 2ril s VAL 95 CO 0.03 0.06 0.15 2.30 0.00 0.00 0.00 175.10 177.65 2ril n ILE 96 N 4.30 0.02 -3.83 2.22 -5.35 -1.26 -5.04 119.36 110.42 2ril n ILE 96 Ca 0.08 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 2ril n ILE 96 Cb 0.49 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.59 2ril n ILE 96 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2ril s ARG 97 N -2.49 0.60 0.00 6.28 1.81 -1.26 -5.38 118.95 118.51 2ril s ARG 97 Ca -0.03 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 2ril s ARG 97 Cb 0.05 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 2ril s ARG 97 CO 0.30 -0.16 0.18 0.25 -0.68 0.00 0.00 175.30 175.19