#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7l n LEU -6 N 0.00 1.12 -4.74 1.20 7.94 -1.26 -4.99 117.00 116.28 1r7l n LEU -6 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 1r7l n LEU -6 Cb 0.00 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 1r7l n LEU -6 CO 0.00 0.64 -0.28 -0.31 -1.11 0.00 0.00 177.39 176.34 1r7l s TYR -5 N -2.51 3.02 0.03 1.96 1.51 -1.26 -5.13 117.35 114.97 1r7l s TYR -5 Ca -0.18 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1r7l s TYR -5 Cb 0.07 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1r7l s TYR -5 CO 0.76 0.51 -0.06 -0.06 -1.11 0.00 0.00 175.55 175.59 1r7l s PHE -4 N -1.66 0.48 -0.03 2.71 0.08 -1.26 -5.13 117.98 113.17 1r7l s PHE -4 Ca 0.29 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1r7l s PHE -4 Cb -0.10 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1r7l s PHE -4 CO 0.21 -0.11 1.10 -1.14 -0.10 0.00 0.00 175.22 175.18 1r7l s GLN -3 N -1.36 4.43 1.20 0.44 0.74 -1.26 -5.02 119.66 118.83 1r7l s GLN -3 Ca -0.11 1.57 -0.17 0.00 0.05 0.00 0.00 55.36 56.70 1r7l s GLN -3 Cb -0.09 -3.49 0.28 0.00 1.10 0.00 0.00 33.01 30.82 1r7l s GLN -3 CO -0.00 -0.28 1.04 -1.54 -0.55 0.00 0.00 175.29 173.95 1r7l s SER -2 N 1.19 0.82 0.86 6.67 1.04 -1.26 -5.02 113.70 118.01 1r7l s SER -2 Ca 0.54 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.90 1r7l s SER -2 Cb -0.23 -1.59 0.11 0.00 0.10 0.00 0.00 66.02 64.40 1r7l s SER -2 CO 0.24 -4.23 1.11 0.20 0.98 0.00 0.00 173.24 171.53 1r7l s ASN -1 N -3.22 3.91 0.53 7.02 -0.87 -1.26 -4.96 114.94 116.10 1r7l s ASN -1 Ca 0.68 1.23 -0.21 0.00 -1.57 0.00 0.00 52.86 52.99 1r7l s ASN -1 Cb -0.17 -1.91 -0.06 0.00 -0.02 0.00 0.00 41.25 39.09 1r7l s ASN -1 CO 0.59 -2.33 1.12 0.00 -2.57 0.00 0.00 177.10 173.92 1r7l n ALA 0 N -3.66 0.72 -3.35 0.60 0.00 -1.26 -4.99 120.51 108.57 1r7l n ALA 0 Ca 0.07 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 1r7l n ALA 0 Cb 0.57 -2.19 -0.13 0.00 0.00 0.00 0.00 19.45 17.69 1r7l n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r7l s MET 1 N -2.60 3.47 0.33 0.00 -1.94 -1.26 -5.09 119.30 112.21 1r7l s MET 1 Ca 0.71 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 54.13 1r7l s MET 1 Cb -0.45 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 1r7l s MET 1 CO 0.51 -0.18 0.51 0.15 -0.01 0.00 0.00 175.02 176.00 1r7l s LYS 2 N 1.49 3.44 0.32 2.03 -0.14 -1.26 -4.94 119.74 120.68 1r7l s LYS 2 Ca 0.06 -0.45 0.08 0.00 -1.36 0.00 0.00 55.97 54.29 1r7l s LYS 2 Cb -0.14 -2.71 0.80 0.00 -1.68 0.00 0.00 37.83 34.09 1r7l s LYS 2 CO -0.01 0.18 1.79 -1.35 -0.76 0.00 0.00 175.35 175.20 1r7l h PRO 3 N 0.83 0.69 0.00 -1.68 0.11 -1.99 0.30 132.00 130.25 1r7l h PRO 3 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1r7l h PRO 3 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1r7l h PRO 3 CO 0.61 0.45 -0.09 0.00 -0.21 0.00 0.00 178.00 178.76 1r7l h ARG 4 N 0.71 0.00 0.07 1.05 3.08 -1.99 -0.42 114.38 116.88 1r7l h ARG 4 Ca 0.57 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.34 1r7l h ARG 4 Cb 0.96 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.03 1r7l h ARG 4 CO -0.35 0.09 -1.16 -0.44 -1.07 0.00 0.00 179.97 177.04 1r7l h ASP 5 N 0.00 0.85 -0.55 7.04 3.32 -0.80 -2.82 116.42 123.46 1r7l h ASP 5 Ca -0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.31 1r7l h ASP 5 Cb 0.22 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1r7l h ASP 5 CO 0.01 1.55 0.35 0.40 -1.72 0.00 0.00 179.24 179.83 1r7l h ILE 6 N 0.30 1.15 -0.82 0.35 5.03 -0.69 -2.04 117.51 120.79 1r7l h ILE 6 Ca -0.16 -0.31 0.05 0.00 -0.12 0.00 0.00 64.86 64.31 1r7l h ILE 6 Cb 1.83 0.37 -0.05 0.00 -3.03 0.00 0.00 36.82 35.94 1r7l h ILE 6 CO 0.22 0.15 0.52 0.78 -0.68 0.00 0.00 178.15 179.14 1r7l h ASN 7 N 0.74 0.83 -0.47 1.72 2.35 -1.10 0.22 115.58 119.88 1r7l h ASN 7 Ca 0.20 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1r7l h ASN 7 Cb -0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1r7l h ASN 7 CO -0.04 0.55 0.27 0.11 -1.65 0.00 0.00 177.43 176.68 1r7l h LYS 8 N 0.97 0.64 -0.81 0.81 1.57 -1.17 -0.13 116.57 118.45 1r7l h LYS 8 Ca 0.34 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1r7l h LYS 8 Cb 0.09 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1r7l h LYS 8 CO -0.14 0.49 0.46 -0.07 -0.57 0.00 0.00 179.45 179.61 1r7l h LEU 9 N 0.62 1.00 0.29 2.94 3.38 -0.64 -1.89 115.31 121.02 1r7l h LEU 9 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1r7l h LEU 9 Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1r7l h LEU 9 CO -0.03 0.80 -0.14 0.40 0.09 0.00 0.00 178.44 179.56 1r7l h ILE 10 N 1.12 0.72 -0.57 1.22 1.08 -0.46 0.37 117.51 121.00 1r7l h ILE 10 Ca 0.29 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.81 1r7l h ILE 10 Cb 0.01 0.76 -0.09 0.00 -3.07 0.00 0.00 36.82 34.43 1r7l h ILE 10 CO -0.05 0.01 0.07 0.00 -0.69 0.00 0.00 178.15 177.49 1r7l h ALA 11 N 0.29 0.62 0.00 1.87 0.00 -0.78 0.50 119.26 121.76 1r7l h ALA 11 Ca -0.04 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1r7l h ALA 11 Cb 0.32 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1r7l h ALA 11 CO 0.07 -0.35 -0.52 0.66 0.00 0.00 0.00 179.25 179.11 1r7l h SER 12 N 0.19 0.00 1.16 0.00 4.64 -1.21 -1.23 113.55 117.10 1r7l h SER 12 Ca 0.30 -0.77 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1r7l h SER 12 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1r7l h SER 12 CO -0.43 1.19 -0.20 0.11 -0.87 0.00 0.00 176.83 176.63 1r7l h LYS 13 N -1.00 0.00 0.00 4.77 1.79 -0.29 0.08 116.57 121.92 1r7l h LYS 13 Ca -0.14 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.09 1r7l h LYS 13 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 1r7l h LYS 13 CO -0.09 0.20 -1.89 -0.89 -1.08 0.00 0.00 179.45 175.71 1r7l n ILE 14 N -3.28 0.89 0.71 1.86 2.08 0.12 -4.68 119.36 117.06 1r7l n ILE 14 Ca 0.01 -0.33 0.11 0.00 0.56 0.00 0.00 62.75 63.09 1r7l n ILE 14 Cb 0.47 -1.09 -0.07 0.00 -0.75 0.00 0.00 39.64 38.20 1r7l n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1r7l n PHE 15 N -3.00 0.06 -1.85 1.39 3.72 -0.90 -4.98 117.46 111.90 1r7l n PHE 15 Ca -0.28 0.02 -0.14 0.00 -0.05 0.00 0.00 57.45 57.00 1r7l n PHE 15 Cb 0.79 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1r7l n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r7l n GLY 16 N 1.42 0.62 3.81 1.37 0.00 0.01 -4.94 105.19 107.49 1r7l n GLY 16 Ca 0.02 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1r7l n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r7l s TYR 17 N -2.62 3.06 -0.15 1.61 2.02 -0.55 -4.95 117.35 115.77 1r7l s TYR 17 Ca 0.00 1.43 -0.22 0.00 -0.37 0.00 0.00 57.07 57.91 1r7l s TYR 17 Cb 0.00 -2.90 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 1r7l s TYR 17 CO 0.00 -1.30 0.67 -2.00 -1.57 0.00 0.00 175.55 171.35 1r7l s GLU 18 N -5.03 4.30 -0.20 -0.62 2.12 -1.26 -4.43 118.70 113.57 1r7l s GLU 18 Ca 0.58 0.74 -0.01 0.00 0.36 0.00 0.00 54.97 56.64 1r7l s GLU 18 Cb -0.14 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.73 1r7l s GLU 18 CO 0.55 -0.13 -0.12 0.42 -0.54 0.00 0.00 175.26 175.44 1r7l s ILE 19 N 1.51 2.69 -0.15 -3.70 -1.09 -1.26 -0.04 121.20 119.17 1r7l s ILE 19 Ca 0.32 -0.73 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1r7l s ILE 19 Cb -0.16 -2.18 0.05 0.00 -1.58 0.00 0.00 42.46 38.59 1r7l s ILE 19 CO 0.13 0.48 0.06 -0.75 -1.23 0.00 0.00 174.94 173.63 1r7l s LYS 20 N 1.37 0.28 -1.12 2.79 2.20 -0.68 -4.87 119.74 119.71 1r7l s LYS 20 Ca 0.05 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1r7l s LYS 20 Cb -0.14 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.55 1r7l s LYS 20 CO -0.08 -0.57 0.95 -0.25 -0.36 0.00 0.00 175.35 175.04 1r7l n ASP 21 N 5.20 -3.15 -2.37 1.43 9.92 -1.26 -2.83 116.55 123.49 1r7l n ASP 21 Ca -0.07 -0.62 -0.18 0.00 -0.53 0.00 0.00 54.79 53.39 1r7l n ASP 21 Cb 0.49 -4.99 -0.01 0.00 -0.64 0.00 0.00 41.12 35.96 1r7l n ASP 21 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1r7l n ASP 22 N -3.08 -5.16 -4.17 -2.24 8.00 -1.26 -4.97 116.55 103.66 1r7l n ASP 22 Ca -0.23 0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.18 1r7l n ASP 22 Cb 0.65 -4.34 -0.12 0.00 -0.02 0.00 0.00 41.12 37.30 1r7l n ASP 22 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1r7l s ASN 23 N -2.07 1.65 -0.32 -2.24 0.01 -1.13 -4.35 114.94 106.50 1r7l s ASN 23 Ca 0.00 -0.65 -0.18 0.00 -0.71 0.00 0.00 52.86 51.32 1r7l s ASN 23 Cb 0.00 -0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.60 1r7l s ASN 23 CO 0.00 -0.10 0.51 -0.63 -1.51 0.00 0.00 177.10 175.37 1r7l s ILE 24 N -1.45 5.03 -0.46 0.60 1.01 0.92 -1.69 121.20 125.16 1r7l s ILE 24 Ca -0.01 0.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 1r7l s ILE 24 Cb -0.09 -3.91 0.05 0.00 0.01 0.00 0.00 42.46 38.52 1r7l s ILE 24 CO 0.02 -0.11 0.43 -0.51 0.00 0.00 0.00 174.94 174.77 1r7l s ILE 25 N 2.37 5.15 -0.06 2.92 2.07 0.95 0.26 121.20 134.86 1r7l s ILE 25 Ca 0.20 -0.78 -0.19 0.00 -1.41 0.00 0.00 60.65 58.46 1r7l s ILE 25 Cb -0.15 -4.11 -0.05 0.00 0.13 0.00 0.00 42.46 38.28 1r7l s ILE 25 CO 0.12 -0.55 0.53 -0.75 -1.91 0.00 0.00 174.94 172.38 1r7l s LYS 26 N 1.90 4.30 -1.50 3.50 2.20 0.91 -3.97 119.74 127.08 1r7l s LYS 26 Ca 0.07 0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1r7l s LYS 26 Cb -0.21 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1r7l s LYS 26 CO 0.09 0.27 0.03 -0.25 -0.36 0.00 0.00 175.35 175.13 1r7l n ASP 27 N 3.19 -5.18 0.00 1.43 8.00 -1.26 -0.36 116.55 122.37 1r7l n ASP 27 Ca -0.07 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1r7l n ASP 27 Cb 0.51 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1r7l n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7l n GLY 28 N -1.04 0.00 0.00 0.44 0.00 -1.25 -4.35 105.19 98.98 1r7l n GLY 28 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1r7l n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r7l n ARG 29 N -1.60 3.16 -4.02 1.61 5.12 -1.14 -5.05 116.66 114.74 1r7l n ARG 29 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1r7l n ARG 29 Cb 0.00 -0.72 -0.09 0.00 -1.16 0.00 0.00 32.46 30.49 1r7l n ARG 29 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1r7l s TYR 30 N -0.95 3.30 0.12 -1.55 1.51 0.51 -4.95 117.35 115.35 1r7l s TYR 30 Ca 0.00 0.17 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 1r7l s TYR 30 Cb 0.00 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1r7l s TYR 30 CO 0.00 0.29 -0.15 -0.98 -1.11 0.00 0.00 175.55 173.60 1r7l s ARG 31 N -0.00 1.89 0.17 -0.62 1.70 -1.26 0.31 118.95 121.14 1r7l s ARG 31 Ca 0.06 -1.16 0.02 0.00 -0.47 0.00 0.00 55.73 54.18 1r7l s ARG 31 Cb -0.12 -2.16 -0.05 0.00 -0.57 0.00 0.00 34.95 32.05 1r7l s ARG 31 CO 0.01 0.48 -0.00 -0.51 -1.08 0.00 0.00 175.30 174.19 1r7l s LEU 32 N -2.26 2.14 0.59 -1.89 1.43 0.14 -4.93 118.68 113.90 1r7l s LEU 32 Ca 0.20 -1.17 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 1r7l s LEU 32 Cb -0.10 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.03 1r7l s LEU 32 CO 0.12 -0.56 0.94 -0.83 0.23 0.00 0.00 176.35 176.25 1r7l s GLY 33 N -3.17 1.59 -0.15 -3.19 0.00 -1.26 -0.06 107.32 101.08 1r7l s GLY 33 Ca 0.23 -0.41 -0.21 0.00 0.00 0.00 0.00 44.72 44.34 1r7l s GLY 33 CO 0.04 -0.15 0.62 -0.42 0.00 0.00 0.00 173.10 173.19 1r7l s ILE 34 N -3.03 5.06 0.82 0.90 1.01 -1.26 -4.61 121.20 120.08 1r7l s ILE 34 Ca 0.53 1.20 -0.14 0.00 0.00 0.00 0.00 60.65 62.25 1r7l s ILE 34 Cb -0.11 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.47 1r7l s ILE 34 CO 0.49 0.19 0.89 -2.65 0.00 0.00 0.00 174.94 173.85 1r7l n PRO 35 N 4.48 0.09 -1.58 2.79 -0.02 -1.26 -4.86 135.00 134.64 1r7l n PRO 35 Ca -0.02 0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 1r7l n PRO 35 Cb 0.50 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1r7l n PRO 35 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r7l n LEU 36 N -2.24 8.44 -0.32 2.45 4.77 -1.26 -4.74 117.00 124.10 1r7l n LEU 36 Ca 0.11 -4.56 0.13 0.00 -0.03 0.00 0.00 56.01 51.66 1r7l n LEU 36 Cb 0.51 -1.48 0.31 0.00 -2.33 0.00 0.00 43.42 40.44 1r7l n LEU 36 CO 0.49 2.07 1.09 1.88 -1.33 0.00 0.00 177.39 181.59 1r7l h TYR 37 N 4.80 0.79 -0.01 -1.77 0.05 -1.86 0.25 116.97 119.22 1r7l h TYR 37 Ca 0.80 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.62 1r7l h TYR 37 Cb 0.31 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1r7l h TYR 37 CO 1.77 0.04 -0.04 -1.13 -1.05 0.00 0.00 178.16 177.75 1r7l n SER 38 N -4.96 0.72 0.00 3.88 3.41 -1.26 -3.44 113.62 111.97 1r7l n SER 38 Ca 0.22 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1r7l n SER 38 Cb 0.63 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1r7l n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r7l n GLN 39 N -0.55 0.74 -3.58 4.33 6.02 -0.17 -2.92 117.38 121.24 1r7l n GLN 39 Ca 0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.82 1r7l n GLN 39 Cb 0.26 -0.95 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 1r7l n GLN 39 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r7l s ASN 40 N -3.67 6.41 0.42 1.08 0.01 0.71 -4.83 114.94 115.07 1r7l s ASN 40 Ca 0.00 0.48 0.17 0.00 -0.71 0.00 0.00 52.86 52.79 1r7l s ASN 40 Cb 0.00 -2.16 0.92 0.00 0.41 0.00 0.00 41.25 40.42 1r7l s ASN 40 CO 0.00 0.14 1.90 -0.29 -1.51 0.00 0.00 177.10 177.34 1r7l h ILE 41 N 4.61 1.06 -0.19 0.60 6.09 -1.88 0.99 117.51 128.79 1r7l h ILE 41 Ca -0.42 -1.01 -0.07 0.00 -1.37 0.00 0.00 64.86 61.99 1r7l h ILE 41 Cb 1.17 1.57 -0.00 0.00 0.47 0.00 0.00 36.82 40.02 1r7l h ILE 41 CO 0.74 0.28 -0.14 -0.33 -3.07 0.00 0.00 178.15 175.63 1r7l h GLU 42 N 0.00 0.43 -0.27 2.19 3.07 -1.95 -0.36 114.58 117.69 1r7l h GLU 42 Ca -0.00 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.61 1r7l h GLU 42 Cb 0.55 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1r7l h GLU 42 CO 0.04 0.76 0.02 0.77 -1.40 0.00 0.00 179.01 179.20 1r7l h SER 43 N 0.10 0.44 -0.40 1.42 0.02 -1.78 -2.92 113.55 110.43 1r7l h SER 43 Ca 0.04 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1r7l h SER 43 Cb 0.66 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1r7l h SER 43 CO 0.04 0.61 0.22 0.00 -1.14 0.00 0.00 176.83 176.57 1r7l h ALA 44 N 0.84 1.58 0.00 3.77 0.00 -0.80 -1.90 119.26 122.76 1r7l h ALA 44 Ca 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1r7l h ALA 44 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1r7l h ALA 44 CO 0.01 0.35 -0.23 2.35 0.00 0.00 0.00 179.25 181.73 1r7l h TRP 45 N 0.60 0.00 -0.31 0.00 2.91 -0.87 -0.55 115.95 117.73 1r7l h TRP 45 Ca 0.15 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 1r7l h TRP 45 Cb 0.04 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 1r7l h TRP 45 CO 0.00 0.23 0.03 1.96 -1.03 0.00 0.00 178.44 179.63 1r7l h GLN 46 N 0.00 0.47 -0.29 2.65 4.20 -1.23 -0.93 115.11 119.99 1r7l h GLN 46 Ca -0.00 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1r7l h GLN 46 Cb 0.59 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1r7l h GLN 46 CO 0.03 0.48 -0.08 0.28 -0.67 0.00 0.00 178.83 178.87 1r7l h VAL 47 N 0.46 1.28 -0.18 -0.54 2.07 -1.10 -1.20 116.25 117.04 1r7l h VAL 47 Ca 0.10 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1r7l h VAL 47 Cb 0.26 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1r7l h VAL 47 CO 0.00 0.36 -0.07 0.58 0.02 0.00 0.00 177.57 178.46 1r7l h VAL 48 N 0.33 0.75 0.00 2.57 2.07 -0.74 -0.66 116.25 120.57 1r7l h VAL 48 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1r7l h VAL 48 Cb 0.57 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1r7l h VAL 48 CO 0.03 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1r7l n GLU 49 N -5.22 0.19 -0.01 1.57 1.02 -0.44 -3.23 120.64 114.52 1r7l n GLU 49 Ca -0.03 0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 57.24 1r7l n GLU 49 Cb 0.15 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 1r7l n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1r7l h LYS 50 N 0.00 0.15 -6.44 3.49 1.63 -0.13 -3.45 116.57 111.81 1r7l h LYS 50 Ca 0.00 -0.25 -0.62 0.00 -0.85 0.00 0.00 60.65 58.93 1r7l h LYS 50 Cb 0.51 0.09 0.08 0.00 -0.60 0.00 0.00 32.23 32.32 1r7l h LYS 50 CO 0.00 1.12 0.40 1.28 -3.45 0.00 0.00 179.45 178.81 1r7l n LEU 51 N -4.36 2.18 -0.07 5.20 4.77 -0.36 -4.86 117.00 119.50 1r7l n LEU 51 Ca -0.13 1.14 0.15 0.00 -0.03 0.00 0.00 56.01 57.14 1r7l n LEU 51 Cb 0.66 -1.30 0.68 0.00 -2.33 0.00 0.00 43.42 41.13 1r7l n LEU 51 CO 0.41 -0.97 0.94 -0.62 -1.33 0.00 0.00 177.39 175.81 1r7l n GLU 52 N 1.83 0.62 -3.42 3.23 1.02 -1.26 -4.86 120.64 117.80 1r7l n GLU 52 Ca 0.13 -0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1r7l n GLU 52 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1r7l n GLU 52 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1r7l s TYR 53 N -2.47 2.99 0.46 -0.32 2.02 -1.26 -5.07 117.35 113.70 1r7l s TYR 53 Ca 0.30 -0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.48 1r7l s TYR 53 Cb 0.20 -2.06 -0.07 0.00 -0.40 0.00 0.00 41.96 39.63 1r7l s TYR 53 CO 0.46 -0.08 1.19 -0.51 -1.57 0.00 0.00 175.55 175.04 1r7l s ASP 54 N -4.18 6.11 0.02 2.29 1.01 -1.26 -4.81 116.67 115.84 1r7l s ASP 54 Ca 0.47 2.38 0.04 0.00 0.71 0.00 0.00 52.55 56.15 1r7l s ASP 54 Cb -0.09 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 1r7l s ASP 54 CO 0.31 -0.96 -0.13 -0.69 0.21 0.00 0.00 175.17 173.91 1r7l s VAL 55 N -1.49 1.01 -0.05 -1.27 1.01 -1.26 -1.14 120.40 117.21 1r7l s VAL 55 Ca 0.63 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1r7l s VAL 55 Cb -0.31 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1r7l s VAL 55 CO 0.37 0.10 -0.10 -0.75 0.00 0.00 0.00 175.10 174.71 1r7l s LYS 56 N -0.80 1.38 -0.19 2.72 2.20 0.21 -4.97 119.74 120.30 1r7l s LYS 56 Ca 0.02 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1r7l s LYS 56 Cb -0.07 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.08 1r7l s LYS 56 CO 0.00 0.04 -0.17 0.08 -0.36 0.00 0.00 175.35 174.94 1r7l s VAL 57 N 0.58 2.01 -0.13 4.02 1.01 -1.26 -0.43 120.40 126.20 1r7l s VAL 57 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1r7l s VAL 57 Cb -0.14 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1r7l s VAL 57 CO 0.02 0.41 -0.14 -0.89 0.00 0.00 0.00 175.10 174.50 1r7l s THR 58 N 1.28 2.98 -0.23 3.92 2.01 0.47 -4.99 115.64 121.08 1r7l s THR 58 Ca 0.02 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1r7l s THR 58 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1r7l s THR 58 CO -0.11 0.53 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.59 1r7l s LYS 59 N 0.34 3.40 0.41 4.92 2.20 -1.26 -1.37 119.74 128.37 1r7l s LYS 59 Ca -0.11 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 1r7l s LYS 59 Cb -0.16 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1r7l s LYS 59 CO 0.06 -0.22 0.04 0.95 -0.36 0.00 0.00 175.35 175.82 1r7l s THR 60 N 1.51 1.39 -0.91 3.43 -4.23 -0.09 -5.03 115.64 111.70 1r7l s THR 60 Ca 0.05 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1r7l s THR 60 Cb -0.15 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1r7l s THR 60 CO -0.01 0.00 1.19 0.47 -0.54 0.00 0.00 174.62 175.73 1r7l n ASP 61 N -1.00 0.67 -3.32 3.99 8.00 -1.26 -4.69 116.55 118.93 1r7l n ASP 61 Ca -0.07 -0.45 -0.19 0.00 0.71 0.00 0.00 54.79 54.79 1r7l n ASP 61 Cb 0.67 0.57 0.13 0.00 -0.02 0.00 0.00 41.12 42.46 1r7l n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r7l n LEU 62 N -1.60 0.00 -4.18 0.64 -0.00 -1.26 -4.94 117.00 105.65 1r7l n LEU 62 Ca 0.04 -1.03 -0.24 0.00 -0.00 0.00 0.00 56.01 54.78 1r7l n LEU 62 Cb 0.36 -0.64 -0.15 0.00 -0.00 0.00 0.00 43.42 42.99 1r7l n LEU 62 CO 0.38 -1.09 -0.50 -0.75 -0.00 0.00 0.00 177.39 175.44 1r7l s LYS 63 N -4.84 1.29 0.61 1.47 2.20 -1.26 -2.80 119.74 116.41 1r7l s LYS 63 Ca 0.49 -0.73 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 1r7l s LYS 63 Cb -0.01 -1.30 -0.03 0.00 -1.51 0.00 0.00 37.83 34.98 1r7l s LYS 63 CO 0.34 0.34 1.17 -1.25 -0.36 0.00 0.00 175.35 175.60 1r7l s PRO 64 N -0.76 2.93 0.19 4.03 0.04 -1.26 -5.10 135.00 135.07 1r7l s PRO 64 Ca 0.06 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1r7l s PRO 64 Cb -0.07 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1r7l s PRO 64 CO 0.00 -1.21 1.77 -0.22 0.04 0.00 0.00 177.00 177.39 1r7l h LYS 65 N 0.66 0.47 -6.17 4.56 3.64 -1.61 -3.44 116.57 114.68 1r7l h LYS 65 Ca -0.49 -0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.19 1r7l h LYS 65 Cb 1.28 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 1r7l h LYS 65 CO 0.55 0.31 -0.64 0.71 -2.27 0.00 0.00 179.45 178.10 1r7l s TYR 66 N -6.11 3.08 -0.01 1.91 2.02 -0.08 -0.91 117.35 117.24 1r7l s TYR 66 Ca -0.13 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1r7l s TYR 66 Cb 0.15 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1r7l s TYR 66 CO 0.74 0.47 -0.06 -1.14 -1.57 0.00 0.00 175.55 173.98 1r7l s GLN 67 N -1.65 0.57 -0.03 -0.62 0.74 -0.47 -1.56 119.66 116.64 1r7l s GLN 67 Ca 0.20 -0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1r7l s GLN 67 Cb -0.12 -0.56 -0.01 0.00 1.10 0.00 0.00 33.01 33.43 1r7l s GLN 67 CO 0.11 0.11 -0.16 0.08 -0.55 0.00 0.00 175.29 174.89 1r7l s VAL 68 N -0.01 1.31 -0.15 1.34 1.01 -0.41 -0.39 120.40 123.10 1r7l s VAL 68 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1r7l s VAL 68 Cb -0.04 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1r7l s VAL 68 CO -0.00 0.38 -0.15 -1.00 0.00 0.00 0.00 175.10 174.33 1r7l s HIS 69 N -0.08 2.79 -0.24 5.22 3.76 0.42 -0.96 115.29 126.20 1r7l s HIS 69 Ca -0.00 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 53.96 1r7l s HIS 69 Cb -0.10 -1.89 0.04 0.00 1.11 0.00 0.00 32.58 31.75 1r7l s HIS 69 CO 0.01 -0.43 -0.12 0.08 -0.85 0.00 0.00 174.74 173.44 1r7l s VAL 70 N 0.74 2.33 -1.24 -0.90 1.01 0.56 -0.62 120.40 122.29 1r7l s VAL 70 Ca -0.06 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 1r7l s VAL 70 Cb -0.15 -2.24 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1r7l s VAL 70 CO 0.01 0.14 1.62 -0.36 0.00 0.00 0.00 175.10 176.51 1r7l s PHE 71 N 1.20 2.95 0.06 5.22 0.08 -0.29 -0.16 117.98 127.03 1r7l s PHE 71 Ca -0.04 -1.68 -0.26 0.00 0.12 0.00 0.00 56.93 55.08 1r7l s PHE 71 Cb -0.18 -4.63 -0.06 0.00 -0.57 0.00 0.00 43.02 37.59 1r7l s PHE 71 CO -0.07 -1.71 0.81 0.08 -0.10 0.00 0.00 175.22 174.23 1r7l s VAL 72 N 3.59 4.68 0.28 -0.44 1.01 -1.26 -4.25 120.40 124.00 1r7l s VAL 72 Ca 0.50 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 64.18 1r7l s VAL 72 Cb 0.02 -4.16 0.35 0.00 0.00 0.00 0.00 36.38 32.58 1r7l s VAL 72 CO 0.04 0.36 1.61 1.55 0.00 0.00 0.00 175.10 178.65 1r7l h PRO 73 N 5.63 0.07 -0.99 2.72 0.13 -2.01 0.33 132.00 137.89 1r7l h PRO 73 Ca -0.44 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1r7l h PRO 73 Cb 1.21 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1r7l h PRO 73 CO 0.71 0.05 0.61 0.78 -0.23 0.00 0.00 178.00 179.92 1r7l h GLY 74 N 0.08 1.63 0.00 1.56 0.00 -2.00 -3.45 103.07 100.88 1r7l h GLY 74 Ca 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1r7l h GLY 74 CO -0.78 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 176.32 1r7l n GLY 75 N -1.36 3.48 3.32 4.60 0.00 0.12 -5.14 105.19 110.21 1r7l n GLY 75 Ca 0.23 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1r7l n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1r7l n VAL 76 N -0.25 1.75 -3.80 1.61 3.14 -1.21 -4.34 118.33 115.23 1r7l n VAL 76 Ca 0.00 -0.49 -0.36 0.00 -2.96 0.00 0.00 64.34 60.53 1r7l n VAL 76 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 1r7l n VAL 76 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1r7l s LYS 77 N -0.98 3.42 -0.04 1.45 -0.14 0.77 -4.90 119.74 119.32 1r7l s LYS 77 Ca 0.62 -0.62 0.07 0.00 -1.36 0.00 0.00 55.97 54.68 1r7l s LYS 77 Cb -0.87 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.03 1r7l s LYS 77 CO 0.56 -0.26 -0.25 0.00 -0.76 0.00 0.00 175.35 174.64 1r7l s MET 78 N 1.54 2.38 0.27 1.68 0.23 -1.26 -0.32 119.30 123.83 1r7l s MET 78 Ca 0.05 -0.91 0.02 0.00 -1.03 0.00 0.00 55.69 53.82 1r7l s MET 78 Cb -0.15 -2.12 -0.05 0.00 -1.53 0.00 0.00 34.83 30.97 1r7l s MET 78 CO 0.01 0.45 0.07 0.14 -2.03 0.00 0.00 175.02 173.67 1r7l s VAL 79 N -0.35 0.81 0.24 5.16 -7.23 -0.14 -4.96 120.40 113.94 1r7l s VAL 79 Ca 0.02 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.28 1r7l s VAL 79 Cb -0.12 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1r7l s VAL 79 CO 0.02 -0.06 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.22 1r7l s PHE 80 N -3.58 2.00 -0.19 2.82 0.08 -1.26 -1.29 117.98 116.57 1r7l s PHE 80 Ca 0.36 -0.46 -0.35 0.00 0.12 0.00 0.00 56.93 56.59 1r7l s PHE 80 Cb 0.08 -0.91 0.14 0.00 -0.57 0.00 0.00 43.02 41.76 1r7l s PHE 80 CO 0.13 0.53 1.26 0.00 -0.10 0.00 0.00 175.22 177.04 1r7l s ALA 81 N -2.75 -2.13 -1.20 5.36 0.00 -0.60 -4.72 121.76 115.72 1r7l s ALA 81 Ca 0.26 1.55 0.27 0.00 0.00 0.00 0.00 51.96 54.04 1r7l s ALA 81 Cb -0.03 -0.11 0.81 0.00 0.00 0.00 0.00 23.12 23.79 1r7l s ALA 81 CO 0.11 -0.65 1.62 0.39 0.00 0.00 0.00 175.76 177.23 1r7l n GLU 82 N -0.13 0.22 -4.07 0.00 -0.58 -1.26 -0.90 120.64 113.92 1r7l n GLU 82 Ca 0.00 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.52 1r7l n GLU 82 Cb 0.58 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 1r7l n GLU 82 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1r7l s THR 83 N -2.85 0.51 0.17 2.62 -4.23 -1.26 -4.65 115.64 105.94 1r7l s THR 83 Ca 0.16 -1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 1r7l s THR 83 Cb 0.18 -0.76 0.06 0.00 1.34 0.00 0.00 72.50 73.33 1r7l s THR 83 CO 0.60 -0.49 1.72 0.00 -0.54 0.00 0.00 174.62 175.91 1r7l h ALA 84 N 4.24 0.74 -0.43 3.99 0.00 -1.95 -1.48 119.26 124.37 1r7l h ALA 84 Ca -0.35 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1r7l h ALA 84 Cb 1.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1r7l h ALA 84 CO 0.45 0.36 0.22 -1.35 0.00 0.00 0.00 179.25 178.93 1r7l h PRO 85 N 0.78 0.42 -0.36 0.00 0.11 -1.86 0.26 132.00 131.35 1r7l h PRO 85 Ca 0.19 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 1r7l h PRO 85 Cb 0.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1r7l h PRO 85 CO -0.01 0.28 -0.36 1.98 -0.21 0.00 0.00 178.00 179.68 1r7l h MET 86 N 0.44 0.83 -0.57 1.05 1.85 -1.44 -1.64 114.93 115.45 1r7l h MET 86 Ca 0.18 -0.42 -0.08 0.00 -0.61 0.00 0.00 59.70 58.78 1r7l h MET 86 Cb 0.09 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 1r7l h MET 86 CO -0.13 1.05 0.04 0.00 -0.40 0.00 0.00 176.91 177.48 1r7l h ALA 87 N 0.90 1.00 -0.15 0.39 0.00 -1.04 0.42 119.26 120.78 1r7l h ALA 87 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1r7l h ALA 87 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1r7l h ALA 87 CO 0.08 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.82 1r7l h ILE 88 N 0.89 1.18 -0.43 0.00 2.04 -0.79 -1.21 117.51 119.18 1r7l h ILE 88 Ca 0.17 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1r7l h ILE 88 Cb 0.46 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1r7l h ILE 88 CO 0.02 0.17 0.13 0.00 0.00 0.00 0.00 178.15 178.46 1r7l h LYS 90 N 0.56 1.07 -0.06 0.00 1.57 -0.83 -1.06 116.57 117.83 1r7l h LYS 90 Ca 0.14 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1r7l h LYS 90 Cb 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1r7l h LYS 90 CO -0.00 0.71 -0.63 0.78 -0.57 0.00 0.00 179.45 179.73 1r7l h GLY 91 N 1.11 0.24 1.03 3.86 0.00 -0.93 -2.15 103.07 106.22 1r7l h GLY 91 Ca 0.36 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 1r7l h GLY 91 CO -0.11 0.28 -0.23 0.00 0.00 0.00 0.00 176.54 176.48 1r7l h ALA 92 N 1.18 0.54 -0.07 3.60 0.00 -0.54 -2.54 119.26 121.43 1r7l h ALA 92 Ca -0.01 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1r7l h ALA 92 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1r7l h ALA 92 CO 0.10 0.52 -0.52 -0.07 0.00 0.00 0.00 179.25 179.28 1r7l h LEU 93 N 0.62 0.21 -1.32 0.00 3.38 -1.20 -2.70 115.31 114.31 1r7l h LEU 93 Ca 0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1r7l h LEU 93 Cb 0.79 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1r7l h LEU 93 CO 0.06 0.69 -0.34 0.00 0.09 0.00 0.00 178.44 178.95 1r7l h ALA 94 N 1.31 1.44 0.00 1.53 0.00 -1.23 -1.27 119.26 121.04 1r7l h ALA 94 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1r7l h ALA 94 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1r7l h ALA 94 CO 0.08 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.62 1r7l n SER 95 N -4.14 0.00 -0.74 0.00 3.41 -0.97 -2.07 113.62 109.11 1r7l n SER 95 Ca -0.02 0.22 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 1r7l n SER 95 Cb 0.38 -0.38 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1r7l n SER 95 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1r7l n VAL 96 N -1.38 2.14 -3.58 -3.33 0.24 -0.62 -4.99 118.33 106.81 1r7l n VAL 96 Ca 0.07 -3.22 -0.22 0.00 -2.04 0.00 0.00 64.34 58.93 1r7l n VAL 96 Cb 0.18 -0.25 0.05 0.00 -1.47 0.00 0.00 33.84 32.36 1r7l n VAL 96 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1r7l n ASP 97 N -1.02 -3.34 -3.43 -1.34 10.43 -0.88 -4.99 116.55 111.98 1r7l n ASP 97 Ca 0.20 -0.82 -0.27 0.00 2.57 0.00 0.00 54.79 56.47 1r7l n ASP 97 Cb 0.73 -4.25 -0.11 0.00 1.84 0.00 0.00 41.12 39.33 1r7l n ASP 97 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1r7l s ILE 98 N -3.54 0.09 0.69 0.53 1.01 -0.58 -5.00 121.20 114.40 1r7l s ILE 98 Ca 0.21 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.99 1r7l s ILE 98 Cb -0.05 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1r7l s ILE 98 CO 0.80 -0.96 1.07 -0.70 0.00 0.00 0.00 174.94 175.15 1r7l s GLU 99 N 0.97 2.83 -0.10 2.79 2.56 -1.26 -3.38 118.70 123.10 1r7l s GLU 99 Ca 0.20 1.11 -0.03 0.00 0.00 0.00 0.00 54.97 56.25 1r7l s GLU 99 Cb -0.18 -1.97 0.05 0.00 2.00 0.00 0.00 34.13 34.03 1r7l s GLU 99 CO -0.03 -1.19 0.16 -0.51 -0.56 0.00 0.00 175.26 173.13 1r7l s LEU 100 N -5.33 -0.04 0.00 2.70 1.43 -1.26 -5.02 118.68 111.15 1r7l s LEU 100 Ca 0.61 0.20 0.15 0.00 -1.03 0.00 0.00 54.13 54.06 1r7l s LEU 100 Cb -0.16 0.24 0.12 0.00 0.03 0.00 0.00 46.19 46.42 1r7l s LEU 100 CO 0.50 -0.26 0.98 1.67 0.23 0.00 0.00 176.35 179.47