#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ril n LYS 3 N 0.00 0.00 -1.33 2.89 0.00 -1.26 -4.78 118.16 113.69 1ril n LYS 3 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 58.31 57.72 1ril n LYS 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1ril n LYS 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ril n ARG 4 N 0.00 0.16 -2.29 1.64 1.74 -1.25 -4.12 116.66 112.55 1ril n ARG 4 Ca 0.00 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 1ril n ARG 4 Cb 0.00 -1.64 0.07 0.00 -1.02 0.00 0.00 32.46 29.87 1ril n ARG 4 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ril n VAL 5 N 6.35 0.00 -3.31 1.55 0.31 -0.49 -4.75 118.33 117.98 1ril n VAL 5 Ca 0.51 -1.31 -0.11 0.00 -0.01 0.00 0.00 64.34 63.41 1ril n VAL 5 Cb -0.00 -0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 1ril n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ril s ALA 6 N -2.75 -1.03 -0.53 3.52 0.00 -1.16 -3.96 121.76 115.86 1ril s ALA 6 Ca 0.47 -0.53 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1ril s ALA 6 Cb -0.03 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.88 1ril s ALA 6 CO 0.30 -2.12 0.96 -1.17 0.00 0.00 0.00 175.76 173.74 1ril s LEU 7 N 1.66 4.00 -0.06 0.00 0.20 -0.21 -1.66 118.68 122.61 1ril s LEU 7 Ca 0.16 -0.15 -0.03 0.00 0.69 0.00 0.00 54.13 54.80 1ril s LEU 7 Cb -0.12 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.62 1ril s LEU 7 CO -0.07 -1.20 0.08 -0.36 -0.29 0.00 0.00 176.35 174.51 1ril s PHE 8 N 3.99 3.36 0.07 5.38 0.08 -0.47 -0.50 117.98 129.90 1ril s PHE 8 Ca 0.34 0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.72 1ril s PHE 8 Cb -0.11 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1ril s PHE 8 CO 0.22 0.59 -0.08 0.99 -0.10 0.00 0.00 175.22 176.84 1ril s THR 9 N -1.06 0.64 -0.21 0.64 2.01 -0.48 -1.32 115.64 115.86 1ril s THR 9 Ca 0.18 -1.48 -0.29 0.00 0.31 0.00 0.00 61.69 60.41 1ril s THR 9 Cb -0.12 -1.12 0.14 0.00 0.01 0.00 0.00 72.50 71.41 1ril s THR 9 CO 0.08 -0.59 1.07 -0.62 -0.69 0.00 0.00 174.62 173.86 1ril s ASP 10 N -2.25 -0.33 -0.02 3.53 3.68 -1.12 -4.62 116.67 115.54 1ril s ASP 10 Ca 0.00 0.43 -0.05 0.00 2.13 0.00 0.00 52.55 55.07 1ril s ASP 10 Cb -0.03 0.37 0.00 0.00 -1.45 0.00 0.00 42.92 41.81 1ril s ASP 10 CO -0.02 -0.25 0.11 -0.83 0.13 0.00 0.00 175.17 174.31 1ril s GLY 11 N -0.77 -0.00 0.07 2.66 0.00 -1.26 -1.74 107.32 106.27 1ril s GLY 11 Ca 0.01 0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.83 1ril s GLY 11 CO -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 173.10 172.96 1ril s ALA 12 N -0.60 0.94 0.03 3.20 0.00 -0.73 -4.81 121.76 119.80 1ril s ALA 12 Ca -0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1ril s ALA 12 Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ril s ALA 12 CO 0.00 0.04 0.33 0.00 0.00 0.00 0.00 175.76 176.13 1ril n LEU 14 N 0.68 2.22 0.00 0.00 4.32 0.43 -4.93 117.00 119.72 1ril n LEU 14 Ca -0.19 -3.03 0.00 0.00 -0.02 0.00 0.00 56.01 52.77 1ril n LEU 14 Cb 0.59 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1ril n LEU 14 CO 0.21 0.76 0.00 0.61 -1.22 0.00 0.00 177.39 177.75 1ril n GLY 15 N -1.28 1.44 2.46 -0.72 0.00 -1.26 -4.75 105.19 101.08 1ril n GLY 15 Ca 0.15 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1ril n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ril n ASN 16 N -0.52 -1.30 -4.48 1.61 5.15 -1.26 -3.86 115.26 110.60 1ril n ASN 16 Ca 0.00 -2.75 -0.29 0.00 -0.60 0.00 0.00 54.58 50.94 1ril n ASN 16 Cb 0.00 0.30 0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1ril n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ril s PRO 17 N -0.05 1.13 0.21 1.20 0.04 -1.26 -5.14 135.00 131.13 1ril s PRO 17 Ca 0.33 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1ril s PRO 17 Cb 0.11 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.82 1ril s PRO 17 CO -0.15 -2.12 0.62 0.41 0.04 0.00 0.00 177.00 175.79 1ril n GLY 18 N -3.35 1.09 3.77 0.56 0.00 0.24 -4.86 105.19 102.65 1ril n GLY 18 Ca 0.12 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1ril n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ril s PRO 19 N -2.05 4.32 0.16 1.61 0.04 -0.90 0.14 135.00 138.32 1ril s PRO 19 Ca 0.13 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1ril s PRO 19 Cb -0.03 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1ril s PRO 19 CO 0.06 0.43 0.10 0.20 0.04 0.00 0.00 177.00 177.84 1ril s GLY 20 N -0.42 1.11 0.08 0.56 0.00 -1.20 -0.43 107.32 107.02 1ril s GLY 20 Ca 0.31 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 1ril s GLY 20 CO 0.18 -1.33 0.13 -0.32 0.00 0.00 0.00 173.10 171.76 1ril s GLY 21 N -3.08 0.20 0.00 0.20 0.00 -0.53 -1.55 107.32 102.55 1ril s GLY 21 Ca 0.29 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1ril s GLY 21 CO 0.05 -0.95 0.00 -2.67 0.00 0.00 0.00 173.10 169.54 1ril n TRP 22 N -0.01 0.00 0.00 1.90 4.27 0.10 -1.77 117.44 121.92 1ril n TRP 22 Ca -0.15 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.46 1ril n TRP 22 Cb 0.62 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 1ril n TRP 22 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ril n ALA 23 N -3.00 0.00 -3.28 -1.67 0.00 -0.71 -3.92 120.51 107.93 1ril n ALA 23 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ril n ALA 23 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1ril n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ril s ALA 24 N -1.51 0.22 -0.14 0.00 0.00 0.55 -2.81 121.76 118.08 1ril s ALA 24 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ril s ALA 24 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1ril s ALA 24 CO 0.00 -0.02 -0.16 -1.17 0.00 0.00 0.00 175.76 174.41 1ril s LEU 25 N 0.50 1.78 -1.10 0.00 0.20 -0.44 -1.19 118.68 118.42 1ril s LEU 25 Ca -0.05 -0.49 -0.06 0.00 0.69 0.00 0.00 54.13 54.22 1ril s LEU 25 Cb -0.07 -1.20 0.29 0.00 -0.43 0.00 0.00 46.19 44.77 1ril s LEU 25 CO -0.01 -0.02 1.34 0.18 -0.29 0.00 0.00 176.35 177.55 1ril n LEU 26 N 4.52 6.04 -4.56 -0.68 4.77 0.74 -1.36 117.00 126.46 1ril n LEU 26 Ca -0.18 -5.12 -0.16 0.00 -0.03 0.00 0.00 56.01 50.51 1ril n LEU 26 Cb 0.51 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 1ril n LEU 26 CO 0.23 1.53 1.34 -1.14 -1.33 0.00 0.00 177.39 178.02 1ril n ARG 27 N 2.01 0.63 -2.04 3.23 0.00 -0.66 -3.78 116.66 116.04 1ril n ARG 27 Ca 0.26 -0.73 -0.28 0.00 -0.00 0.00 0.00 57.85 57.10 1ril n ARG 27 Cb 0.36 -3.67 0.07 0.00 0.00 0.00 0.00 32.46 29.23 1ril n ARG 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ril s PHE 28 N 14.51 2.98 0.17 -0.14 0.40 -0.64 -2.98 117.98 132.29 1ril s PHE 28 Ca 0.94 0.65 -0.23 0.00 -0.60 0.00 0.00 56.93 57.69 1ril s PHE 28 Cb -0.14 -3.30 0.05 0.00 0.51 0.00 0.00 43.02 40.14 1ril s PHE 28 CO 0.11 -1.53 1.37 0.72 0.70 0.00 0.00 175.22 176.59 1ril n HIS 29 N -3.10 -0.22 -3.06 0.36 8.25 -1.26 -3.41 115.22 112.78 1ril n HIS 29 Ca 0.08 1.10 -0.09 0.00 -0.26 0.00 0.00 57.72 58.55 1ril n HIS 29 Cb 0.60 -0.68 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 1ril n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ril s ALA 30 N -5.61 -1.31 0.00 -1.41 0.00 -1.26 -5.09 121.76 107.08 1ril s ALA 30 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ril s ALA 30 Cb 0.13 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1ril s ALA 30 CO 0.59 -2.18 0.00 -2.39 0.00 0.00 0.00 175.76 171.78 1ril n HIS 31 N 3.47 0.00 -3.90 0.00 -0.00 -1.22 -5.17 115.22 108.39 1ril n HIS 31 Ca 0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.68 1ril n HIS 31 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.48 1ril n HIS 31 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ril s GLU 32 N -3.57 2.78 -0.24 -1.40 2.02 -1.26 -1.61 118.70 115.41 1ril s GLU 32 Ca 0.00 -1.23 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 1ril s GLU 32 Cb 0.00 -2.50 0.13 0.00 0.10 0.00 0.00 34.13 31.86 1ril s GLU 32 CO 0.00 0.18 0.42 0.21 0.02 0.00 0.00 175.26 176.09 1ril s LYS 33 N -3.95 0.37 -0.15 1.61 2.20 -1.25 -4.96 119.74 113.62 1ril s LYS 33 Ca 0.39 0.74 0.02 0.00 -0.36 0.00 0.00 55.97 56.76 1ril s LYS 33 Cb -0.06 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 1ril s LYS 33 CO 0.26 -0.52 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.35 1ril s LEU 34 N 2.60 2.16 -0.17 5.43 2.96 -1.26 -0.18 118.68 130.22 1ril s LEU 34 Ca 0.09 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 1ril s LEU 34 Cb -0.14 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1ril s LEU 34 CO -0.15 0.07 0.08 -0.76 -1.32 0.00 0.00 176.35 174.26 1ril s LEU 35 N 0.87 3.93 -0.09 -0.68 1.02 -0.34 -4.96 118.68 118.44 1ril s LEU 35 Ca -0.05 0.16 -0.06 0.00 0.02 0.00 0.00 54.13 54.19 1ril s LEU 35 Cb -0.15 -1.99 0.03 0.00 0.02 0.00 0.00 46.19 44.10 1ril s LEU 35 CO -0.03 0.22 0.23 -0.94 0.02 0.00 0.00 176.35 175.85 1ril s SER 36 N 0.09 -0.24 0.25 2.29 1.04 -1.26 -0.33 113.70 115.54 1ril s SER 36 Ca 0.06 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 1ril s SER 36 Cb -0.12 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1ril s SER 36 CO 0.00 -0.12 0.23 -0.83 0.98 0.00 0.00 173.24 173.50 1ril s GLY 37 N 0.65 1.59 -0.27 7.32 0.00 -1.25 -4.99 107.32 110.37 1ril s GLY 37 Ca -0.04 -1.71 -0.25 0.00 0.00 0.00 0.00 44.72 42.72 1ril s GLY 37 CO -0.04 -1.32 0.75 -0.32 0.00 0.00 0.00 173.10 172.18 1ril s GLY 38 N -3.21 -0.50 0.30 0.20 0.00 -1.26 0.00 107.32 102.85 1ril s GLY 38 Ca 0.37 2.11 0.08 0.00 0.00 0.00 0.00 44.72 47.28 1ril s GLY 38 CO 0.16 1.78 0.20 1.85 0.00 0.00 0.00 173.10 177.09 1ril s GLU 39 N 0.40 2.68 -0.07 2.90 2.12 -0.60 -4.96 118.70 121.17 1ril s GLU 39 Ca 0.00 -1.27 -0.24 0.00 0.36 0.00 0.00 54.97 53.82 1ril s GLU 39 Cb -0.05 -2.42 -0.30 0.00 0.26 0.00 0.00 34.13 31.62 1ril s GLU 39 CO -0.00 0.24 0.87 0.00 -0.54 0.00 0.00 175.26 175.82 1ril h ALA 40 N 1.46 -0.07 -3.24 6.30 0.00 -1.85 -3.17 119.26 118.69 1ril h ALA 40 Ca -0.46 -0.65 -0.50 0.00 0.00 0.00 0.00 54.91 53.30 1ril h ALA 40 Cb 1.25 0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.74 1ril h ALA 40 CO 0.60 0.28 -0.79 0.00 0.00 0.00 0.00 179.25 179.35 1ril n THR 42 N 5.00 0.00 -4.32 0.00 -2.24 0.38 -4.85 114.28 108.25 1ril n THR 42 Ca -0.10 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 1ril n THR 42 Cb 0.49 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 1ril n THR 42 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ril s THR 43 N -2.28 0.65 0.04 4.28 -4.23 -1.26 -0.59 115.64 112.25 1ril s THR 43 Ca 0.02 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1ril s THR 43 Cb -0.00 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1ril s THR 43 CO 0.00 0.19 0.33 0.59 -0.54 0.00 0.00 174.62 175.19 1ril n ASN 44 N 3.03 -0.20 -0.14 3.99 4.13 -1.26 0.12 115.26 124.93 1ril n ASN 44 Ca -0.15 0.37 -0.06 0.00 1.68 0.00 0.00 54.58 56.42 1ril n ASN 44 Cb 0.56 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.77 1ril n ASN 44 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1ril h ASN 45 N 0.00 0.38 -0.17 6.41 4.21 -1.98 0.93 115.58 125.37 1ril h ASN 45 Ca 0.04 0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 1ril h ASN 45 Cb 0.10 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1ril h ASN 45 CO -0.20 0.27 -0.26 0.03 -1.29 0.00 0.00 177.43 175.98 1ril h ARG 46 N 0.49 0.64 0.00 0.81 3.08 0.52 -0.10 114.38 119.82 1ril h ARG 46 Ca 0.18 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1ril h ARG 46 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ril h ARG 46 CO -0.10 0.83 -0.21 0.52 -1.07 0.00 0.00 179.97 179.94 1ril h MET 47 N 0.56 0.00 0.02 0.04 2.86 -0.24 0.47 114.93 118.63 1ril h MET 47 Ca 0.08 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.45 1ril h MET 47 Cb 0.73 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1ril h MET 47 CO 0.06 0.21 -1.42 0.93 1.06 0.00 0.00 176.91 177.75 1ril h GLU 48 N 0.00 0.05 0.01 1.72 5.08 0.13 -3.23 114.58 118.34 1ril h GLU 48 Ca -0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1ril h GLU 48 Cb 0.94 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ril h GLU 48 CO 0.03 0.81 -0.15 1.25 -1.00 0.00 0.00 179.01 179.94 1ril h LEU 49 N 0.01 0.11 -2.22 1.33 5.85 -0.86 -3.04 115.31 116.50 1ril h LEU 49 Ca -0.18 -0.86 0.05 0.00 0.84 0.00 0.00 57.88 57.73 1ril h LEU 49 Cb 1.92 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1ril h LEU 49 CO 0.11 0.97 0.23 0.50 -0.34 0.00 0.00 178.44 179.91 1ril h LYS 50 N -0.72 0.00 -0.04 1.25 3.11 -0.23 -0.65 116.57 119.29 1ril h LYS 50 Ca -0.02 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1ril h LYS 50 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 1ril h LYS 50 CO 0.03 0.00 -0.07 0.00 -2.81 0.00 0.00 179.45 176.60 1ril h ALA 51 N 1.72 0.06 -0.85 5.00 0.00 -1.57 -2.75 119.26 120.87 1ril h ALA 51 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ril h ALA 51 Cb 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1ril h ALA 51 CO -0.00 -0.11 0.44 0.00 0.00 0.00 0.00 179.25 179.58 1ril h ALA 52 N 0.46 1.17 -0.15 0.00 0.00 -1.02 -2.78 119.26 116.95 1ril h ALA 52 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ril h ALA 52 Cb 0.64 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ril h ALA 52 CO 0.02 0.65 -0.17 0.97 0.00 0.00 0.00 179.25 180.72 1ril h ILE 53 N 1.20 1.35 -0.57 0.00 6.09 -1.48 -2.80 117.51 121.31 1ril h ILE 53 Ca 0.30 -1.35 -0.05 0.00 -1.37 0.00 0.00 64.86 62.40 1ril h ILE 53 Cb 0.07 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.23 1ril h ILE 53 CO -0.04 0.40 0.17 -0.33 -3.07 0.00 0.00 178.15 175.27 1ril h GLU 54 N -0.00 0.85 0.00 2.19 4.39 -1.52 0.38 114.58 120.87 1ril h GLU 54 Ca 0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1ril h GLU 54 Cb 0.71 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1ril h GLU 54 CO 0.04 0.74 0.00 0.41 -1.16 0.00 0.00 179.01 179.04 1ril n GLY 55 N -0.91 -2.73 0.43 -3.84 0.00 -1.05 -1.93 105.19 95.16 1ril n GLY 55 Ca 0.04 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1ril n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ril h LEU 56 N 0.00 -1.68 -0.85 0.99 -0.00 -1.22 -1.74 115.31 110.82 1ril h LEU 56 Ca 0.00 0.23 0.23 0.00 -0.00 0.00 0.00 57.88 58.35 1ril h LEU 56 Cb 0.00 0.71 -0.16 0.00 -0.00 0.00 0.00 40.66 41.21 1ril h LEU 56 CO 0.00 -0.39 0.01 0.29 -0.00 0.00 0.00 178.44 178.35 1ril n LYS 57 N -5.40 -0.07 -1.35 1.13 5.02 0.13 -1.88 118.16 115.74 1ril n LYS 57 Ca -0.02 1.27 -0.30 0.00 -2.02 0.00 0.00 58.31 57.24 1ril n LYS 57 Cb 0.35 -2.02 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 1ril n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ril n ALA 58 N -3.25 6.96 -3.27 7.82 0.00 -0.65 -4.60 120.51 123.53 1ril n ALA 58 Ca 0.20 -3.06 -0.06 0.00 0.00 0.00 0.00 53.44 50.52 1ril n ALA 58 Cb 0.65 -2.82 -0.04 0.00 0.00 0.00 0.00 19.45 17.25 1ril n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ril s LEU 59 N -0.55 -0.97 0.00 0.00 1.43 -0.79 -5.01 118.68 112.79 1ril s LEU 59 Ca 0.65 -1.06 0.22 0.00 -1.03 0.00 0.00 54.13 52.90 1ril s LEU 59 Cb 0.25 1.43 1.30 0.00 0.03 0.00 0.00 46.19 49.19 1ril s LEU 59 CO -0.07 -0.21 1.71 0.29 0.23 0.00 0.00 176.35 178.30 1ril n LYS 60 N 4.38 0.77 -3.93 1.70 4.76 -1.26 -4.56 118.16 120.02 1ril n LYS 60 Ca 0.11 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.24 1ril n LYS 60 Cb 0.52 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 32.13 1ril n LYS 60 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ril s GLU 61 N -2.00 1.38 -0.85 1.97 -6.30 -1.26 -5.05 118.70 106.60 1ril s GLU 61 Ca 0.33 -1.83 -0.31 0.00 -2.50 0.00 0.00 54.97 50.66 1ril s GLU 61 Cb 0.15 -2.92 -0.18 0.00 0.00 0.00 0.00 34.13 31.18 1ril s GLU 61 CO 0.25 -0.99 2.59 -2.30 0.02 0.00 0.00 175.26 174.84 1ril n PRO 62 N 4.16 0.25 -4.46 4.30 -0.02 -1.26 -4.86 135.00 133.11 1ril n PRO 62 Ca 0.03 0.01 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 1ril n PRO 62 Cb 0.40 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1ril n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ril s GLU 64 N -3.77 4.45 -0.01 0.00 2.12 -1.26 -2.91 118.70 117.33 1ril s GLU 64 Ca 0.32 1.59 0.04 0.00 0.36 0.00 0.00 54.97 57.28 1ril s GLU 64 Cb 0.06 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1ril s GLU 64 CO 0.14 -0.24 -0.11 0.08 -0.54 0.00 0.00 175.26 174.59 1ril s VAL 65 N 1.42 3.35 -0.24 3.70 1.01 -0.89 -1.40 120.40 127.35 1ril s VAL 65 Ca 0.55 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1ril s VAL 65 Cb -0.24 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1ril s VAL 65 CO 0.26 0.45 -0.04 -1.81 0.00 0.00 0.00 175.10 173.96 1ril s ASP 66 N -1.21 4.37 0.20 3.32 1.01 -1.25 -1.99 116.67 121.11 1ril s ASP 66 Ca 0.15 -0.58 0.07 0.00 0.71 0.00 0.00 52.55 52.90 1ril s ASP 66 Cb -0.11 -1.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1ril s ASP 66 CO 0.05 -0.07 0.06 -0.22 0.21 0.00 0.00 175.17 175.19 1ril s LEU 67 N 1.43 3.48 -0.08 1.23 0.20 -0.81 -1.04 118.68 123.08 1ril s LEU 67 Ca 0.04 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 1ril s LEU 67 Cb -0.15 -2.07 0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1ril s LEU 67 CO -0.03 0.05 0.19 -0.31 -0.29 0.00 0.00 176.35 175.95 1ril s TYR 68 N -1.92 -0.23 -0.15 5.38 2.02 0.35 -1.76 117.35 121.04 1ril s TYR 68 Ca 0.30 0.60 -0.21 0.00 -0.37 0.00 0.00 57.07 57.38 1ril s TYR 68 Cb -0.09 -0.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.53 1ril s TYR 68 CO 0.21 -0.18 0.55 -0.08 -1.57 0.00 0.00 175.55 174.48 1ril s THR 69 N 0.97 0.01 -2.44 -0.71 -1.32 -0.46 -1.39 115.64 110.30 1ril s THR 69 Ca -0.07 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.60 1ril s THR 69 Cb -0.09 -0.80 0.53 0.00 -1.51 0.00 0.00 72.50 70.63 1ril s THR 69 CO -0.06 -0.04 1.70 -0.90 -2.21 0.00 0.00 174.62 173.11 1ril n ASP 70 N 2.18 1.54 -4.57 8.08 3.85 -1.25 -3.73 116.55 122.65 1ril n ASP 70 Ca -0.16 -1.55 -0.44 0.00 -0.71 0.00 0.00 54.79 51.92 1ril n ASP 70 Cb 0.56 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.27 1ril n ASP 70 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1ril n SER 71 N 0.21 3.09 0.27 -1.12 2.88 -1.26 -4.44 113.62 113.25 1ril n SER 71 Ca 0.18 0.26 -0.18 0.00 -1.33 0.00 0.00 58.87 57.81 1ril n SER 71 Cb 0.35 -1.50 -0.09 0.00 -0.75 0.00 0.00 64.21 62.21 1ril n SER 71 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1ril h HIS 72 N 14.43 -1.30 -0.43 0.66 3.86 -1.98 -1.95 115.15 128.43 1ril h HIS 72 Ca -0.39 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1ril h HIS 72 Cb 1.26 0.51 -0.02 0.00 1.06 0.00 0.00 27.41 30.21 1ril h HIS 72 CO 0.94 -0.63 0.26 -0.92 0.86 0.00 0.00 177.93 178.44 1ril h TYR 73 N -0.94 0.57 -0.45 2.45 3.20 -1.99 -2.14 116.97 117.67 1ril h TYR 73 Ca -0.05 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 1ril h TYR 73 Cb 0.83 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1ril h TYR 73 CO -0.25 0.41 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.57 1ril h LEU 74 N 0.57 0.81 -1.07 2.82 4.07 -1.94 -2.60 115.31 117.98 1ril h LEU 74 Ca 0.15 -0.33 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 1ril h LEU 74 Cb 0.00 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 1ril h LEU 74 CO -0.03 0.94 0.30 0.50 -1.08 0.00 0.00 178.44 179.07 1ril h LYS 75 N 0.66 0.96 0.00 1.13 3.64 -1.33 -2.80 116.57 118.82 1ril h LYS 75 Ca 0.12 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ril h LYS 75 Cb 0.55 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1ril h LYS 75 CO 0.03 0.76 0.00 1.17 -2.27 0.00 0.00 179.45 179.14 1ril n LYS 76 N -4.33 0.00 -0.52 1.90 4.81 -0.81 -2.35 118.16 116.87 1ril n LYS 76 Ca 0.06 0.09 0.41 0.00 -0.87 0.00 0.00 58.31 58.00 1ril n LYS 76 Cb 0.15 -0.96 0.65 0.00 0.02 0.00 0.00 35.03 34.89 1ril n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ril n ALA 77 N -0.80 1.43 -0.08 3.14 0.00 -1.00 -1.18 120.51 122.02 1ril n ALA 77 Ca 0.00 0.63 -0.06 0.00 0.00 0.00 0.00 53.44 54.01 1ril n ALA 77 Cb 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 1ril n ALA 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ril n PHE 78 N -3.95 0.04 -0.04 0.00 3.01 -1.06 -0.14 117.46 115.33 1ril n PHE 78 Ca 0.36 0.02 -0.14 0.00 1.01 0.00 0.00 57.45 58.70 1ril n PHE 78 Cb 1.56 -0.91 -0.14 0.00 -0.01 0.00 0.00 39.48 39.97 1ril n PHE 78 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ril n THR 79 N -2.67 1.61 -0.52 4.37 -2.24 -0.33 -4.57 114.28 109.94 1ril n THR 79 Ca -0.27 -0.74 -0.16 0.00 -2.27 0.00 0.00 64.05 60.61 1ril n THR 79 Cb 1.04 -1.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.19 1ril n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ril n GLU 80 N -3.15 1.84 -0.05 -0.78 1.02 -0.82 -4.87 120.64 113.83 1ril n GLU 80 Ca -0.27 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1ril n GLU 80 Cb 1.06 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1ril n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ril n GLY 80 N -0.43 1.47 0.00 0.62 0.00 -1.26 -4.90 105.19 100.69 1ril n GLY 80 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ril n GLY 80 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ril n TRP 81 N -2.00 0.00 -0.31 1.61 8.01 -1.24 -3.25 117.44 120.26 1ril n TRP 81 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1ril n TRP 81 Cb 0.00 -0.40 0.22 0.00 -2.01 0.00 0.00 31.31 29.12 1ril n TRP 81 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1ril h LEU 82 N 0.00 0.67 -2.00 -0.99 7.12 -0.89 -0.80 115.31 118.43 1ril h LEU 82 Ca 0.00 0.07 0.19 0.00 0.13 0.00 0.00 57.88 58.27 1ril h LEU 82 Cb 0.00 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1ril h LEU 82 CO 0.00 0.33 0.48 -0.08 -0.13 0.00 0.00 178.44 179.04 1ril h GLU 83 N 0.76 0.00 0.02 1.25 4.57 -1.79 -0.02 114.58 119.37 1ril h GLU 83 Ca 0.46 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.40 1ril h GLU 83 Cb 0.55 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1ril h GLU 83 CO -0.31 0.00 -1.01 0.78 -1.18 0.00 0.00 179.01 177.29 1ril h GLY 84 N 0.00 0.52 0.80 1.92 0.00 -1.14 -3.18 103.07 101.99 1ril h GLY 84 Ca 0.32 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1ril h GLY 84 CO -0.00 0.84 0.01 1.49 0.00 0.00 0.00 176.54 178.89 1ril h TRP 85 N 0.25 0.24 -0.96 5.60 6.55 -0.97 -2.82 115.95 123.84 1ril h TRP 85 Ca -0.10 -0.04 0.10 0.00 0.95 0.00 0.00 58.89 59.80 1ril h TRP 85 Cb 1.66 -0.07 -0.13 0.00 -0.86 0.00 0.00 29.16 29.76 1ril h TRP 85 CO 0.07 0.43 -0.54 0.00 -1.05 0.00 0.00 178.44 177.35 1ril h ARG 86 N -0.01 -0.02 -0.88 0.49 3.08 -1.30 0.14 114.38 115.88 1ril h ARG 86 Ca 0.04 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.19 1ril h ARG 86 Cb 0.32 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 1ril h ARG 86 CO 0.00 -0.01 0.52 0.87 -1.07 0.00 0.00 179.97 180.28 1ril h LYS 87 N -0.02 0.84 -0.65 0.04 6.56 -1.50 -3.15 116.57 118.68 1ril h LYS 87 Ca 0.20 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1ril h LYS 87 Cb 0.46 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1ril h LYS 87 CO -0.93 0.55 0.00 0.54 -2.06 0.00 0.00 179.45 177.55 1ril n ARG 88 N -4.70 3.47 -2.93 3.15 1.74 -0.67 -4.87 116.66 111.86 1ril n ARG 88 Ca 0.15 -2.24 -0.14 0.00 -0.77 0.00 0.00 57.85 54.85 1ril n ARG 88 Cb 0.29 -1.90 0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1ril n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ril n GLY 89 N 0.70 0.02 2.54 -0.13 0.00 -1.14 -3.40 105.19 103.77 1ril n GLY 89 Ca 0.20 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1ril n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ril n TRP 90 N -4.00 -1.40 -4.46 1.61 7.02 0.40 -4.97 117.44 111.65 1ril n TRP 90 Ca -0.03 0.58 -0.21 0.00 -1.02 0.00 0.00 57.50 56.83 1ril n TRP 90 Cb 0.55 -3.89 -0.14 0.00 -2.42 0.00 0.00 31.31 25.42 1ril n TRP 90 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1ril s ARG 91 N -4.72 0.99 0.72 -0.99 3.00 -1.22 -1.75 118.95 114.99 1ril s ARG 91 Ca 0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 55.73 54.98 1ril s ARG 91 Cb -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 34.95 33.99 1ril s ARG 91 CO 0.46 0.26 1.21 0.99 0.00 0.00 0.00 175.30 178.21 1ril s THR 92 N -0.63 2.32 0.29 0.02 2.01 0.12 -4.57 115.64 115.21 1ril s THR 92 Ca 0.03 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.29 1ril s THR 92 Cb -0.07 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1ril s THR 92 CO 0.01 -0.08 1.66 0.00 -0.69 0.00 0.00 174.62 175.51 1ril h ALA 93 N -0.22 1.06 -0.14 7.40 0.00 -1.96 -2.22 119.26 123.17 1ril h ALA 93 Ca -0.48 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 53.98 1ril h ALA 93 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ril h ALA 93 CO 0.50 0.68 0.14 1.49 0.00 0.00 0.00 179.25 182.06 1ril h GLU 94 N 0.05 0.00 0.00 0.00 4.81 -2.06 -3.46 114.58 113.92 1ril h GLU 94 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ril h GLU 94 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1ril h GLU 94 CO 0.07 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.76 1ril n GLY 95 N -1.42 1.45 3.92 1.92 0.00 -0.84 -5.14 105.19 105.08 1ril n GLY 95 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1ril n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ril s LYS 96 N -0.22 3.19 -0.49 1.61 3.01 -1.26 -4.85 119.74 120.74 1ril s LYS 96 Ca 0.00 -0.92 -0.21 0.00 -1.01 0.00 0.00 55.97 53.83 1ril s LYS 96 Cb 0.00 -2.75 0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1ril s LYS 96 CO 0.00 0.34 0.69 -1.25 0.51 0.00 0.00 175.35 175.64 1ril s PRO 97 N -3.97 3.22 0.10 -1.68 0.04 -1.26 0.16 135.00 131.61 1ril s PRO 97 Ca 0.36 -0.57 -0.18 0.00 0.04 0.00 0.00 61.00 60.65 1ril s PRO 97 Cb -0.08 -4.03 -0.10 0.00 0.04 0.00 0.00 34.50 30.32 1ril s PRO 97 CO 0.28 -1.18 0.35 1.33 0.04 0.00 0.00 177.00 177.82 1ril n VAL 98 N 5.82 1.00 -2.49 -0.36 0.24 -0.72 -4.86 118.33 116.95 1ril n VAL 98 Ca -0.03 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.63 1ril n VAL 98 Cb 0.47 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 1ril n VAL 98 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ril s LYS 99 N -0.50 4.48 -0.59 7.34 2.47 -1.26 -3.53 119.74 128.16 1ril s LYS 99 Ca 0.40 1.71 -0.02 0.00 -1.56 0.00 0.00 55.97 56.50 1ril s LYS 99 Cb -0.58 -2.98 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 1ril s LYS 99 CO 0.33 0.09 0.29 0.09 0.16 0.00 0.00 175.35 176.31 1ril n ASN 100 N 0.78 -3.40 0.11 1.43 4.13 -1.26 -4.95 115.26 112.10 1ril n ASN 100 Ca 0.01 -0.13 0.12 0.00 1.68 0.00 0.00 54.58 56.26 1ril n ASN 100 Cb 0.46 -2.23 0.45 0.00 -1.54 0.00 0.00 39.78 36.92 1ril n ASN 100 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1ril n ARG 101 N -2.07 0.21 -0.06 3.52 1.85 -1.23 -1.89 116.66 116.99 1ril n ARG 101 Ca -0.03 0.30 -0.13 0.00 -1.00 0.00 0.00 57.85 56.99 1ril n ARG 101 Cb 0.54 -1.81 -0.07 0.00 -1.05 0.00 0.00 32.46 30.07 1ril n ARG 101 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1ril h ASP 102 N 0.00 0.44 -0.08 2.89 2.03 -1.92 -2.94 116.42 116.85 1ril h ASP 102 Ca 0.00 -0.49 -0.10 0.00 -0.73 0.00 0.00 57.03 55.71 1ril h ASP 102 Cb 0.54 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 38.90 1ril h ASP 102 CO 0.00 0.84 -0.26 -0.07 -1.03 0.00 0.00 179.24 178.72 1ril h LEU 103 N 0.05 0.52 -0.57 0.15 3.38 -1.95 -2.93 115.31 113.96 1ril h LEU 103 Ca 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ril h LEU 103 Cb 0.72 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ril h LEU 103 CO 0.04 0.77 0.23 -0.50 0.09 0.00 0.00 178.44 179.08 1ril h TRP 104 N 0.45 0.87 -0.23 1.13 4.06 -1.25 -1.24 115.95 119.73 1ril h TRP 104 Ca 0.06 -0.06 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 1ril h TRP 104 Cb 0.69 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1ril h TRP 104 CO 0.02 0.70 -0.44 1.49 -3.56 0.00 0.00 178.44 176.66 1ril h GLU 105 N 0.79 0.70 -0.77 0.49 4.81 -1.62 -3.01 114.58 115.97 1ril h GLU 105 Ca 0.19 -0.45 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1ril h GLU 105 Cb 0.19 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.54 1ril h GLU 105 CO -0.02 1.07 -0.46 0.00 -0.73 0.00 0.00 179.01 178.88 1ril h ALA 106 N 0.63 -0.44 -0.33 2.92 0.00 -1.30 0.31 119.26 121.05 1ril h ALA 106 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ril h ALA 106 Cb 1.04 1.29 -0.08 0.00 0.00 0.00 0.00 17.79 20.03 1ril h ALA 106 CO 0.10 -0.76 -0.42 1.25 0.00 0.00 0.00 179.25 179.42 1ril h LEU 107 N -0.01 -1.37 -0.75 0.00 5.85 -1.23 -1.44 115.31 116.36 1ril h LEU 107 Ca 0.12 0.20 0.17 0.00 0.84 0.00 0.00 57.88 59.22 1ril h LEU 107 Cb 0.32 0.59 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 1ril h LEU 107 CO -0.72 -0.38 0.14 -0.07 -0.34 0.00 0.00 178.44 177.07 1ril h LEU 108 N -0.37 -0.07 -0.50 2.25 -0.00 -0.67 0.30 115.31 116.25 1ril h LEU 108 Ca 0.12 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 58.19 1ril h LEU 108 Cb 0.59 0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.45 1ril h LEU 108 CO -0.52 -0.08 0.28 -0.07 -0.00 0.00 0.00 178.44 178.05 1ril h LEU 109 N 0.22 0.45 0.24 1.67 4.07 0.46 -3.00 115.31 119.41 1ril h LEU 109 Ca 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.39 1ril h LEU 109 Cb 0.75 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 1ril h LEU 109 CO -0.56 0.31 -0.15 0.00 -1.08 0.00 0.00 178.44 176.96 1ril h ALA 110 N 1.24 -0.37 -0.80 1.53 0.00 0.49 -2.96 119.26 118.40 1ril h ALA 110 Ca 0.21 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1ril h ALA 110 Cb 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1ril h ALA 110 CO -0.11 -0.72 0.52 0.52 0.00 0.00 0.00 179.25 179.47 1ril h MET 111 N -0.38 0.54 0.00 0.00 2.86 -1.21 -3.37 114.93 113.36 1ril h MET 111 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ril h MET 111 Cb 0.32 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1ril h MET 111 CO 0.02 0.36 0.00 0.00 1.06 0.00 0.00 176.91 178.35 1ril n ALA 112 N -2.48 0.00 0.09 6.32 0.00 -1.12 0.74 120.51 124.06 1ril n ALA 112 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1ril n ALA 112 Cb 0.47 0.03 0.46 0.00 0.00 0.00 0.00 19.45 20.41 1ril n ALA 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ril h PRO 113 N 0.00 0.33 -6.21 0.00 0.11 -1.80 -3.46 132.00 120.98 1ril h PRO 113 Ca 0.00 -0.04 -0.52 0.00 0.11 0.00 0.00 66.00 65.56 1ril h PRO 113 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1ril h PRO 113 CO 0.00 0.29 -0.29 -1.01 -0.21 0.00 0.00 178.00 176.78 1ril s HIS 114 N -5.16 2.10 -0.79 0.65 3.76 0.23 -4.73 115.29 111.34 1ril s HIS 114 Ca -0.07 -0.65 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1ril s HIS 114 Cb 0.17 -2.11 0.21 0.00 1.11 0.00 0.00 32.58 31.95 1ril s HIS 114 CO 0.72 -0.47 0.68 -2.13 -0.85 0.00 0.00 174.74 172.69 1ril n ARG 115 N -1.78 2.34 -2.96 1.40 0.63 -1.15 -4.93 116.66 110.21 1ril n ARG 115 Ca 0.05 -4.52 -0.41 0.00 -0.92 0.00 0.00 57.85 52.05 1ril n ARG 115 Cb 0.62 -2.34 -0.05 0.00 0.45 0.00 0.00 32.46 31.15 1ril n ARG 115 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ril s VAL 116 N -1.63 4.91 -0.11 5.15 0.11 -1.26 -2.10 120.40 125.46 1ril s VAL 116 Ca 0.28 1.46 -0.13 0.00 -2.93 0.00 0.00 61.98 60.66 1ril s VAL 116 Cb -0.02 -4.07 -0.05 0.00 -1.53 0.00 0.00 36.38 30.71 1ril s VAL 116 CO -0.12 0.01 0.31 -0.13 -3.33 0.00 0.00 175.10 171.84 1ril s ARG 117 N 2.36 4.04 0.61 1.54 3.00 -0.84 -4.98 118.95 124.67 1ril s ARG 117 Ca 0.34 0.17 -0.02 0.00 0.00 0.00 0.00 55.73 56.21 1ril s ARG 117 Cb -0.16 -3.33 0.04 0.00 0.00 0.00 0.00 34.95 31.50 1ril s ARG 117 CO 0.10 0.44 0.87 -0.06 0.00 0.00 0.00 175.30 176.65 1ril s PHE 118 N -0.18 2.94 -0.22 -0.53 0.40 -1.26 -1.92 117.98 117.20 1ril s PHE 118 Ca 0.19 0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.71 1ril s PHE 118 Cb -0.14 -2.89 0.11 0.00 0.51 0.00 0.00 43.02 40.61 1ril s PHE 118 CO 0.07 -1.04 0.28 -1.01 0.70 0.00 0.00 175.22 174.21 1ril s HIS 119 N -2.95 -0.47 -0.40 0.36 3.76 -0.72 -4.80 115.29 110.07 1ril s HIS 119 Ca 0.57 0.41 0.04 0.00 -0.15 0.00 0.00 55.06 55.94 1ril s HIS 119 Cb -0.10 -0.24 0.36 0.00 1.11 0.00 0.00 32.58 33.71 1ril s HIS 119 CO 0.41 -0.65 1.30 1.19 -0.85 0.00 0.00 174.74 176.14 1ril n PHE 120 N 5.33 1.30 -1.66 1.40 3.01 -1.26 -1.36 117.46 124.23 1ril n PHE 120 Ca -0.05 -0.81 -0.47 0.00 1.01 0.00 0.00 57.45 57.14 1ril n PHE 120 Cb 0.50 -0.47 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 1ril n PHE 120 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1ril n VAL 121 N -0.04 0.58 -1.54 -4.37 3.14 -1.24 -4.71 118.33 110.14 1ril n VAL 121 Ca 0.22 -0.15 -0.33 0.00 -2.96 0.00 0.00 64.34 61.12 1ril n VAL 121 Cb 0.92 -2.01 -0.05 0.00 -1.06 0.00 0.00 33.84 31.64 1ril n VAL 121 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ril n LYS 122 N 7.11 0.83 0.00 1.45 3.00 -1.26 -3.81 118.16 125.47 1ril n LYS 122 Ca 0.24 -0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1ril n LYS 122 Cb 0.32 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 32.14 1ril n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ril n GLY 123 N 6.17 2.52 0.61 3.14 0.00 -1.26 -2.68 105.19 113.69 1ril n GLY 123 Ca 0.43 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1ril n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ril n HIS 124 N 9.01 0.00 0.29 1.61 -0.00 -1.26 -3.31 115.22 121.56 1ril n HIS 124 Ca 0.00 -0.07 0.15 0.00 0.46 0.00 0.00 57.72 58.25 1ril n HIS 124 Cb 0.00 -0.10 0.46 0.00 -0.12 0.00 0.00 29.99 30.24 1ril n HIS 124 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1ril h THR 125 N 0.07 0.00 -3.27 3.57 2.02 -1.79 -3.44 112.91 110.06 1ril h THR 125 Ca 0.00 -0.67 -0.33 0.00 0.77 0.00 0.00 66.41 66.18 1ril h THR 125 Cb 0.41 1.64 0.15 0.00 -1.74 0.00 0.00 68.15 68.61 1ril h THR 125 CO 0.00 0.00 0.24 0.61 0.37 0.00 0.00 175.52 176.74 1ril n GLY 126 N 0.51 -1.94 3.80 2.16 0.00 -1.21 -5.05 105.19 103.46 1ril n GLY 126 Ca 0.02 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1ril n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ril s HIS 127 N -3.02 3.00 0.65 1.61 3.76 -1.26 -4.85 115.29 115.19 1ril s HIS 127 Ca 0.59 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 57.10 1ril s HIS 127 Cb -0.03 -3.03 0.31 0.00 1.11 0.00 0.00 32.58 30.94 1ril s HIS 127 CO 0.43 -0.99 1.14 -1.00 -0.85 0.00 0.00 174.74 173.47 1ril h PRO 128 N 0.88 0.00 0.00 8.40 0.13 -1.96 1.27 132.00 140.71 1ril h PRO 128 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ril h PRO 128 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ril h PRO 128 CO 0.58 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.28 1ril h GLU 129 N 0.00 0.00 -0.16 0.86 4.39 -2.03 -0.26 114.58 117.39 1ril h GLU 129 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1ril h GLU 129 Cb 2.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1ril h GLU 129 CO -0.00 0.00 0.02 -0.91 -1.16 0.00 0.00 179.01 176.96 1ril h ASN 130 N 0.00 0.26 -0.09 1.42 -0.26 0.13 -3.13 115.58 113.91 1ril h ASN 130 Ca 0.00 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.49 1ril h ASN 130 Cb 0.03 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 1ril h ASN 130 CO 0.00 0.47 -0.33 -0.33 -1.06 0.00 0.00 177.43 176.18 1ril h GLU 131 N 0.05 -0.33 -0.73 0.81 3.07 -1.21 -1.96 114.58 114.27 1ril h GLU 131 Ca 0.05 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.05 1ril h GLU 131 Cb 0.32 0.07 -0.13 0.00 -0.84 0.00 0.00 28.75 28.18 1ril h GLU 131 CO 0.00 -0.22 -0.39 0.00 -1.40 0.00 0.00 179.01 177.01 1ril h ARG 132 N -0.34 -0.12 0.46 2.33 3.08 -1.58 -1.62 114.38 116.58 1ril h ARG 132 Ca 0.02 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ril h ARG 132 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1ril h ARG 132 CO -0.27 -0.08 -0.42 0.28 -1.07 0.00 0.00 179.97 178.42 1ril h VAL 133 N -0.12 0.16 -0.79 2.04 2.07 -1.54 -1.69 116.25 116.38 1ril h VAL 133 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1ril h VAL 133 Cb 0.56 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 1ril h VAL 133 CO -0.79 0.00 -0.56 -0.78 0.02 0.00 0.00 177.57 175.45 1ril h ASP 134 N -0.88 -2.02 -0.63 0.57 -0.00 -0.70 0.46 116.42 113.22 1ril h ASP 134 Ca -0.05 0.29 -0.07 0.00 -0.00 0.00 0.00 57.03 57.21 1ril h ASP 134 Cb 0.77 0.87 -0.03 0.00 -0.00 0.00 0.00 39.33 40.95 1ril h ASP 134 CO -0.04 -0.28 0.14 -0.09 -0.00 0.00 0.00 179.24 178.97 1ril h ARG 135 N -0.13 1.03 0.00 0.28 2.43 -1.31 -0.42 114.38 116.25 1ril h ARG 135 Ca 0.13 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ril h ARG 135 Cb 0.46 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ril h ARG 135 CO -0.81 0.94 0.00 1.49 -1.51 0.00 0.00 179.97 180.08 1ril h GLU 136 N 0.94 0.00 0.05 0.20 4.57 -0.25 -0.45 114.58 119.64 1ril h GLU 136 Ca 0.20 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1ril h GLU 136 Cb 0.38 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1ril h GLU 136 CO 0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 179.01 177.56 1ril h ALA 137 N 2.24 -0.03 0.14 2.92 0.00 0.36 -2.61 119.26 122.28 1ril h ALA 137 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ril h ALA 137 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ril h ALA 137 CO 0.00 0.12 -0.14 -0.09 0.00 0.00 0.00 179.25 179.14 1ril h ARG 138 N -0.77 -0.27 -0.79 0.00 2.43 -0.95 -1.93 114.38 112.09 1ril h ARG 138 Ca -0.05 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1ril h ARG 138 Cb 1.21 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.67 1ril h ARG 138 CO 0.05 -0.18 -0.23 -2.13 -1.51 0.00 0.00 179.97 175.97 1ril n ARG 139 N -3.19 -0.11 0.23 0.20 0.63 -0.19 0.08 116.66 114.32 1ril n ARG 139 Ca -0.03 1.23 -0.15 0.00 -0.92 0.00 0.00 57.85 57.98 1ril n ARG 139 Cb 0.13 -1.84 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 1ril n ARG 139 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1ril h GLN 140 N 0.00 -0.57 -0.80 -0.14 5.75 -1.25 -2.36 115.11 115.74 1ril h GLN 140 Ca 0.35 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 59.02 1ril h GLN 140 Cb 0.55 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.14 1ril h GLN 140 CO -0.81 -0.38 0.39 0.00 -2.65 0.00 0.00 178.83 175.38 1ril h ALA 141 N -0.01 1.17 0.00 3.38 0.00 0.45 0.53 119.26 124.79 1ril h ALA 141 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ril h ALA 141 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ril h ALA 141 CO 0.04 -0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1ril n GLN 142 N -4.89 0.04 -3.15 0.00 6.02 -0.18 -3.95 117.38 111.26 1ril n GLN 142 Ca 0.15 0.26 -0.27 0.00 -0.01 0.00 0.00 57.00 57.13 1ril n GLN 142 Cb 0.39 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1ril n GLN 142 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ril n SER 143 N -1.64 3.99 0.00 1.08 7.64 0.18 -4.99 113.62 119.88 1ril n SER 143 Ca 0.04 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1ril n SER 143 Cb 0.20 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1ril n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ril n GLN 144 N 0.25 2.47 -4.50 1.43 1.13 -1.25 -4.99 117.38 111.92 1ril n GLN 144 Ca 0.30 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.02 1ril n GLN 144 Cb 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.65 1ril n GLN 144 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ril s ALA 145 N -2.00 3.10 -0.94 -1.58 0.00 -1.26 -5.04 121.76 114.04 1ril s ALA 145 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1ril s ALA 145 Cb 0.00 -1.37 0.32 0.00 0.00 0.00 0.00 23.12 22.07 1ril s ALA 145 CO 0.00 0.52 1.58 1.63 0.00 0.00 0.00 175.76 179.50 1ril n LYS 146 N 2.39 4.82 0.00 0.00 5.02 -1.26 -4.73 118.16 124.39 1ril n LYS 146 Ca -0.18 -4.70 0.04 0.00 -2.02 0.00 0.00 58.31 51.45 1ril n LYS 146 Cb 0.53 -2.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 1ril n LYS 146 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13