#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7r s VAL 2 N 0.00 3.92 0.51 3.15 1.01 -1.26 -0.86 120.40 126.86 1b7r s VAL 2 Ca 0.00 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 1b7r s VAL 2 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1b7r s VAL 2 CO 0.00 -0.33 1.08 -0.36 0.00 0.00 0.00 175.10 175.49 1b7r s PHE 3 N 1.39 2.85 0.24 5.22 0.08 -0.41 -5.01 117.98 122.35 1b7r s PHE 3 Ca 0.01 1.56 -0.13 0.00 0.12 0.00 0.00 56.93 58.49 1b7r s PHE 3 Cb -0.21 -3.17 -0.08 0.00 -0.57 0.00 0.00 43.02 38.99 1b7r s PHE 3 CO 0.02 -1.16 0.61 -1.21 -0.10 0.00 0.00 175.22 173.38 1b7r s GLU 4 N -3.24 3.92 0.09 0.44 2.02 -1.26 -4.88 118.70 115.79 1b7r s GLU 4 Ca 0.70 0.46 -0.20 0.00 0.02 0.00 0.00 54.97 55.94 1b7r s GLU 4 Cb -0.20 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 1b7r s GLU 4 CO 0.23 0.31 1.33 -0.09 0.02 0.00 0.00 175.26 177.07 1b7r h ARG 5 N 2.73 -0.15 0.00 1.61 2.43 -1.96 -1.71 114.38 117.33 1b7r h ARG 5 Ca -0.48 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1b7r h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1b7r h ARG 5 CO 0.67 -0.10 -0.22 0.00 -1.51 0.00 0.00 179.97 178.82 1b7r h GLU 7 N 0.00 0.34 -0.65 0.00 4.81 -1.82 -1.67 114.58 115.59 1b7r h GLU 7 Ca -0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1b7r h GLU 7 Cb 0.52 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1b7r h GLU 7 CO 0.03 0.44 0.08 1.25 -0.73 0.00 0.00 179.01 180.08 1b7r h LEU 8 N 0.19 1.05 -0.24 1.64 5.85 -0.93 -1.88 115.31 120.99 1b7r h LEU 8 Ca 0.07 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1b7r h LEU 8 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1b7r h LEU 8 CO -0.00 1.06 0.09 0.00 -0.34 0.00 0.00 178.44 179.24 1b7r h ALA 9 N 1.03 0.27 -0.52 1.25 0.00 -1.15 0.25 119.26 120.40 1b7r h ALA 9 Ca 0.19 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1b7r h ALA 9 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1b7r h ALA 9 CO 0.02 -0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.04 1b7r h ARG 10 N 0.20 0.81 -0.12 0.00 3.08 -1.17 -2.30 114.38 114.89 1b7r h ARG 10 Ca 0.10 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1b7r h ARG 10 Cb 0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1b7r h ARG 10 CO -0.10 0.75 0.03 1.15 -1.07 0.00 0.00 179.97 180.73 1b7r h THR 11 N 0.77 1.20 -0.59 2.04 2.02 -0.65 -2.39 112.91 115.32 1b7r h THR 11 Ca 0.17 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1b7r h THR 11 Cb 0.33 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1b7r h THR 11 CO 0.00 0.19 0.26 -0.07 0.37 0.00 0.00 175.52 176.27 1b7r h LEU 12 N -0.02 0.76 -0.51 2.58 3.38 -0.85 -1.23 115.31 119.43 1b7r h LEU 12 Ca 0.04 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1b7r h LEU 12 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1b7r h LEU 12 CO 0.00 0.66 0.03 0.50 0.09 0.00 0.00 178.44 179.72 1b7r h LYS 13 N 0.83 0.88 -0.21 1.13 3.64 -1.32 -1.67 116.57 119.85 1b7r h LYS 13 Ca 0.20 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1b7r h LYS 13 Cb 0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1b7r h LYS 13 CO -0.02 0.90 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.89 1b7r h ARG 14 N 0.75 0.32 -0.09 1.90 2.43 -0.88 -2.03 114.38 116.78 1b7r h ARG 14 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1b7r h ARG 14 Cb 0.48 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1b7r h ARG 14 CO 0.02 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 180.17 1b7r n LEU 15 N -4.29 0.53 -0.38 3.80 4.77 -0.52 -4.91 117.00 116.01 1b7r n LEU 15 Ca -0.00 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 1b7r n LEU 15 Cb 0.25 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1b7r n LEU 15 CO 0.38 0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 177.13 1b7r n GLY 16 N 0.72 0.24 0.13 -0.72 0.00 -0.76 -4.98 105.19 99.82 1b7r n GLY 16 Ca 0.06 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1b7r n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b7r h MET 17 N 0.00 0.00 -6.15 1.61 2.86 -1.49 -3.41 114.93 108.35 1b7r h MET 17 Ca -0.08 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.01 1b7r h MET 17 Cb 1.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1b7r h MET 17 CO 0.09 0.00 1.33 0.34 1.06 0.00 0.00 176.91 179.73 1b7r s ASP 18 N -5.47 5.64 0.00 1.22 2.15 -1.26 -2.19 116.67 116.75 1b7r s ASP 18 Ca 0.01 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1b7r s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1b7r s ASP 18 CO 0.76 -1.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.43 1b7r n GLY 19 N 5.54 0.74 3.63 2.66 0.00 0.52 -4.90 105.19 113.39 1b7r n GLY 19 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1b7r n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b7r s TYR 20 N -2.49 1.24 -1.47 1.61 5.04 -0.93 -1.16 117.35 119.19 1b7r s TYR 20 Ca 0.00 -0.01 -0.07 0.00 -2.44 0.00 0.00 57.07 54.55 1b7r s TYR 20 Cb 0.00 -4.10 0.03 0.00 0.35 0.00 0.00 41.96 38.23 1b7r s TYR 20 CO 0.00 -4.88 0.76 0.54 -1.34 0.00 0.00 175.55 170.63 1b7r n ARG 21 N 8.08 -5.39 -1.03 4.97 5.12 -1.26 -1.67 116.66 125.48 1b7r n ARG 21 Ca 0.24 0.79 -0.01 0.00 -1.93 0.00 0.00 57.85 56.94 1b7r n ARG 21 Cb 0.43 -5.68 -0.00 0.00 -1.16 0.00 0.00 32.46 26.05 1b7r n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b7r n GLY 22 N -1.59 0.47 3.47 -0.13 0.00 -0.31 -5.00 105.19 102.09 1b7r n GLY 22 Ca -0.05 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1b7r n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b7r s ILE 23 N -1.90 4.76 0.70 -0.61 1.01 -0.67 -4.91 121.20 119.58 1b7r s ILE 23 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1b7r s ILE 23 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1b7r s ILE 23 CO 0.00 0.07 1.14 -0.94 0.00 0.00 0.00 174.94 175.21 1b7r s SER 24 N 1.64 4.68 0.30 3.58 1.04 -1.26 -0.35 113.70 123.33 1b7r s SER 24 Ca 0.05 2.10 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1b7r s SER 24 Cb -0.17 -2.56 0.50 0.00 0.10 0.00 0.00 66.02 63.89 1b7r s SER 24 CO 0.07 -1.92 1.91 0.25 0.98 0.00 0.00 173.24 174.53 1b7r h LEU 25 N -0.25 0.93 -1.25 2.42 5.85 -1.91 -1.32 115.31 119.79 1b7r h LEU 25 Ca -0.47 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.32 1b7r h LEU 25 Cb 1.26 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 1b7r h LEU 25 CO 0.52 0.60 0.54 0.00 -0.34 0.00 0.00 178.44 179.76 1b7r h ALA 26 N 1.50 1.59 -0.29 1.25 0.00 -1.91 -1.04 119.26 120.35 1b7r h ALA 26 Ca 0.39 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1b7r h ALA 26 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b7r h ALA 26 CO -0.14 0.28 -0.34 -0.91 0.00 0.00 0.00 179.25 178.14 1b7r h ASN 27 N 0.91 0.67 -0.60 0.00 2.35 -1.57 -1.51 115.58 115.82 1b7r h ASN 27 Ca 0.35 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1b7r h ASN 27 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1b7r h ASN 27 CO -0.12 0.96 0.05 -0.50 -1.65 0.00 0.00 177.43 176.16 1b7r h TRP 28 N 0.54 1.13 -0.42 1.19 4.06 -1.02 -1.61 115.95 119.82 1b7r h TRP 28 Ca 0.06 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1b7r h TRP 28 Cb 0.84 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 1b7r h TRP 28 CO 0.04 0.97 0.14 0.52 -3.56 0.00 0.00 178.44 176.55 1b7r h MET 29 N 0.97 0.65 -0.78 0.49 2.86 -1.07 -1.39 114.93 116.67 1b7r h MET 29 Ca 0.18 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1b7r h MET 29 Cb 0.49 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 1b7r h MET 29 CO 0.02 0.63 0.50 0.00 1.06 0.00 0.00 176.91 179.13 1b7r h LEU 31 N 1.05 -0.16 -1.07 0.00 5.85 -1.04 -2.45 115.31 117.50 1b7r h LEU 31 Ca 0.28 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1b7r h LEU 31 Cb -0.10 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1b7r h LEU 31 CO -0.06 -0.05 0.63 0.00 -0.34 0.00 0.00 178.44 178.62 1b7r h ALA 32 N 0.59 1.38 0.00 1.25 0.00 -1.04 0.57 119.26 122.01 1b7r h ALA 32 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1b7r h ALA 32 Cb 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1b7r h ALA 32 CO 0.03 0.53 -0.04 -0.22 0.00 0.00 0.00 179.25 179.55 1b7r h LYS 33 N 1.21 -0.07 0.00 0.00 1.63 -1.00 -1.26 116.57 117.08 1b7r h LYS 33 Ca 0.38 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.17 1b7r h LYS 33 Cb 0.01 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1b7r h LYS 33 CO -0.12 -0.04 -0.09 -1.49 -3.45 0.00 0.00 179.45 174.26 1b7r h TRP 34 N -0.07 0.00 0.19 1.91 4.06 -1.15 -0.56 115.95 120.33 1b7r h TRP 34 Ca 0.02 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.63 1b7r h TRP 34 Cb 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1b7r h TRP 34 CO -0.11 0.09 -1.63 0.93 -3.56 0.00 0.00 178.44 174.16 1b7r h GLU 35 N 0.00 0.41 0.00 0.49 4.39 -0.78 -3.44 114.58 115.65 1b7r h GLU 35 Ca -0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1b7r h GLU 35 Cb 1.07 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1b7r h GLU 35 CO 0.01 1.31 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1b7r n SER 36 N -3.60 0.01 -1.07 1.42 3.41 -0.52 -4.75 113.62 108.52 1b7r n SER 36 Ca -0.21 -0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.06 1b7r n SER 36 Cb 1.08 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1b7r n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b7r n GLY 37 N 0.02 0.02 2.34 5.00 0.00 -0.22 -2.64 105.19 109.71 1b7r n GLY 37 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1b7r n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b7r n TYR 38 N -3.98 -0.58 -3.66 1.61 0.53 -1.17 -4.80 117.16 105.11 1b7r n TYR 38 Ca -0.10 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.40 1b7r n TYR 38 Cb 0.58 -3.15 -0.12 0.00 -1.03 0.00 0.00 39.34 35.62 1b7r n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1b7r s ASN 39 N -2.41 5.53 0.51 7.72 2.47 -1.08 -1.28 114.94 126.40 1b7r s ASN 39 Ca 0.00 -0.53 0.29 0.00 0.42 0.00 0.00 52.86 53.04 1b7r s ASN 39 Cb 0.00 -2.00 1.30 0.00 -1.45 0.00 0.00 41.25 39.11 1b7r s ASN 39 CO 0.00 -0.19 1.98 0.71 -3.72 0.00 0.00 177.10 175.87 1b7r h THR 40 N 5.67 0.35 -0.65 -5.21 1.35 -1.33 -3.01 112.91 110.08 1b7r h THR 40 Ca -0.32 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1b7r h THR 40 Cb 1.15 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1b7r h THR 40 CO 0.61 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.89 1b7r n ARG 41 N -3.34 2.80 -2.16 4.72 -4.01 -1.26 -4.08 116.66 109.32 1b7r n ARG 41 Ca -0.00 -2.45 -0.40 0.00 -1.04 0.00 0.00 57.85 53.96 1b7r n ARG 41 Cb 0.32 -1.60 -0.02 0.00 -3.04 0.00 0.00 32.46 28.11 1b7r n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b7r s ALA 42 N -1.31 3.38 -0.03 2.89 0.00 -1.14 -4.83 121.76 120.72 1b7r s ALA 42 Ca 0.45 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.55 1b7r s ALA 42 Cb 0.25 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1b7r s ALA 42 CO 0.28 -0.62 0.08 0.95 0.00 0.00 0.00 175.76 176.45 1b7r s THR 43 N -1.21 0.00 -0.20 0.00 -4.23 -1.26 -0.73 115.64 108.01 1b7r s THR 43 Ca 0.52 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1b7r s THR 43 Cb -0.37 -0.13 0.06 0.00 1.34 0.00 0.00 72.50 73.40 1b7r s THR 43 CO 0.48 -0.01 -0.01 0.21 -0.54 0.00 0.00 174.62 174.75 1b7r s ASN 44 N 0.01 3.14 -0.02 3.99 2.47 -0.63 -4.97 114.94 118.93 1b7r s ASN 44 Ca -0.00 -0.88 -0.28 0.00 0.42 0.00 0.00 52.86 52.12 1b7r s ASN 44 Cb -0.01 -0.83 -0.03 0.00 -1.45 0.00 0.00 41.25 38.93 1b7r s ASN 44 CO 0.00 -0.26 0.91 -0.47 -3.72 0.00 0.00 177.10 173.57 1b7r s TYR 45 N 1.68 3.63 -0.62 0.43 6.04 -1.26 -0.94 117.35 126.31 1b7r s TYR 45 Ca -0.02 1.59 -0.11 0.00 0.04 0.00 0.00 57.07 58.57 1b7r s TYR 45 Cb -0.17 -3.05 0.16 0.00 -1.04 0.00 0.00 41.96 37.86 1b7r s TYR 45 CO -0.07 0.00 0.52 -0.80 -1.54 0.00 0.00 175.55 173.66 1b7r s ASN 46 N 0.96 6.05 0.57 4.32 0.01 0.03 -4.92 114.94 121.96 1b7r s ASN 46 Ca 0.48 -2.30 0.26 0.00 -0.71 0.00 0.00 52.86 50.60 1b7r s ASN 46 Cb -0.20 -2.08 1.57 0.00 0.41 0.00 0.00 41.25 40.95 1b7r s ASN 46 CO 0.25 -0.63 2.13 0.00 -1.51 0.00 0.00 177.10 177.34 1b7r h ALA 47 N 8.08 1.89 -0.52 0.60 0.00 -1.95 -0.89 119.26 126.47 1b7r h ALA 47 Ca -0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1b7r h ALA 47 Cb 1.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1b7r h ALA 47 CO 0.84 -0.22 0.23 0.78 0.00 0.00 0.00 179.25 180.87 1b7r h GLY 48 N 0.00 0.72 -0.09 0.00 0.00 -1.94 -3.28 103.07 98.49 1b7r h GLY 48 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1b7r h GLY 48 CO -0.00 0.06 -0.04 2.09 0.00 0.00 0.00 176.54 178.65 1b7r n ASP 49 N -4.93 1.50 -1.76 0.19 5.75 -1.11 -5.02 116.55 111.17 1b7r n ASP 49 Ca 0.05 -2.03 -0.20 0.00 -0.01 0.00 0.00 54.79 52.60 1b7r n ASP 49 Cb 0.17 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 1b7r n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b7r n ARG 50 N -0.56 -1.43 -3.30 0.11 1.74 -0.35 -4.77 116.66 108.10 1b7r n ARG 50 Ca 0.03 1.10 -0.18 0.00 -0.77 0.00 0.00 57.85 58.04 1b7r n ARG 50 Cb 0.42 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 1b7r n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b7r s SER 51 N -2.56 5.82 -0.00 0.55 1.04 -1.21 -4.52 113.70 112.83 1b7r s SER 51 Ca 0.00 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1b7r s SER 51 Cb 0.00 -0.99 -0.01 0.00 0.10 0.00 0.00 66.02 65.12 1b7r s SER 51 CO 0.00 -0.56 -0.09 -0.89 0.98 0.00 0.00 173.24 172.68 1b7r s THR 52 N -2.25 0.67 -0.19 2.02 2.01 -1.26 -0.79 115.64 115.85 1b7r s THR 52 Ca 0.49 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1b7r s THR 52 Cb -0.10 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1b7r s THR 52 CO 0.32 0.17 0.36 -1.81 -0.69 0.00 0.00 174.62 172.97 1b7r s ASP 53 N -0.24 6.43 -0.06 3.53 1.01 -0.11 -1.19 116.67 126.03 1b7r s ASP 53 Ca 0.03 0.51 0.05 0.00 0.71 0.00 0.00 52.55 53.84 1b7r s ASP 53 Cb -0.03 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1b7r s ASP 53 CO -0.00 -0.02 -0.20 -0.31 0.21 0.00 0.00 175.17 174.85 1b7r s TYR 54 N 1.05 2.57 0.00 4.23 2.02 0.70 -1.60 117.35 126.31 1b7r s TYR 54 Ca 0.18 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1b7r s TYR 54 Cb -0.14 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1b7r s TYR 54 CO 0.07 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 1b7r n GLY 55 N 2.74 -1.80 0.32 0.71 0.00 0.09 -1.61 105.19 105.64 1b7r n GLY 55 Ca -0.17 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1b7r n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7r h ILE 56 N 0.00 0.89 -0.30 -0.61 2.10 -1.70 -1.86 117.51 116.03 1b7r h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1b7r h ILE 56 Cb 0.00 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 1b7r h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1b7r n PHE 57 N -4.47 0.38 -3.62 2.19 3.01 -1.26 -4.04 117.46 109.65 1b7r n PHE 57 Ca 0.03 -0.25 -0.20 0.00 1.01 0.00 0.00 57.45 58.04 1b7r n PHE 57 Cb 0.32 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.84 1b7r n PHE 57 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b7r n GLY 58 N 1.09 -0.33 3.69 1.37 0.00 -0.70 -4.91 105.19 105.40 1b7r n GLY 58 Ca 0.15 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1b7r n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b7r s ILE 59 N -3.59 4.24 0.07 -0.61 1.01 -0.63 -4.41 121.20 117.27 1b7r s ILE 59 Ca 0.01 1.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 1b7r s ILE 59 Cb -0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1b7r s ILE 59 CO 0.79 0.03 0.95 0.21 0.00 0.00 0.00 174.94 176.91 1b7r s ASN 60 N 1.38 7.42 0.45 3.58 3.84 -1.26 -0.22 114.94 130.13 1b7r s ASN 60 Ca 0.56 1.71 0.31 0.00 0.21 0.00 0.00 52.86 55.65 1b7r s ASN 60 Cb -0.25 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.21 1b7r s ASN 60 CO 0.24 -0.12 1.91 0.77 -2.79 0.00 0.00 177.10 177.11 1b7r h SER 61 N 6.00 0.00 0.55 -4.21 4.64 -1.41 -2.05 113.55 117.07 1b7r h SER 61 Ca -0.42 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 1b7r h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1b7r h SER 61 CO 0.73 0.00 -0.33 -0.09 -0.87 0.00 0.00 176.83 176.27 1b7r h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.35 1b7r h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b7r h ARG 62 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1b7r h ARG 62 CO 0.00 0.33 -0.63 0.66 -1.51 0.00 0.00 179.97 178.81 1b7r n TYR 63 N -3.79 0.00 -0.10 2.20 4.02 -1.16 -0.42 117.16 117.91 1b7r n TYR 63 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 1b7r n TYR 63 Cb 0.41 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.59 1b7r n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1b7r n TRP 64 N -1.45 0.00 -4.14 -0.72 7.02 -0.78 -0.78 117.44 116.59 1b7r n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1b7r n TRP 64 Cb 0.32 -0.92 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 1b7r n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b7r s ASN 66 N -3.02 5.37 0.00 0.00 2.47 -0.30 -4.60 114.94 114.86 1b7r s ASN 66 Ca 0.18 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1b7r s ASN 66 Cb 0.07 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1b7r s ASN 66 CO -0.02 0.11 0.65 -0.90 -3.72 0.00 0.00 177.10 173.22 1b7r n ASP 67 N 3.96 1.27 0.00 -4.21 5.68 -1.26 -1.31 116.55 120.68 1b7r n ASP 67 Ca -0.16 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1b7r n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1b7r n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b7r n GLY 68 N -0.17 1.04 0.36 6.12 0.00 -1.26 -4.69 105.19 106.59 1b7r n GLY 68 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1b7r n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b7r n LYS 69 N -1.88 0.74 -3.20 1.61 2.85 -1.26 -4.95 118.16 112.06 1b7r n LYS 69 Ca 0.00 -1.00 -0.40 0.00 -1.05 0.00 0.00 58.31 55.86 1b7r n LYS 69 Cb 0.00 -1.17 -0.07 0.00 -0.65 0.00 0.00 35.03 33.14 1b7r n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b7r s THR 70 N -0.93 5.05 0.34 0.58 2.01 -1.26 -4.99 115.64 116.44 1b7r s THR 70 Ca 0.11 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 1b7r s THR 70 Cb 0.08 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 1b7r s THR 70 CO 0.15 0.08 1.51 -2.84 -0.69 0.00 0.00 174.62 172.82 1b7r s PRO 71 N 2.32 4.13 -1.68 4.92 0.02 -1.26 -3.50 135.00 139.96 1b7r s PRO 71 Ca 0.23 2.54 -0.18 0.00 0.02 0.00 0.00 61.00 63.61 1b7r s PRO 71 Cb -0.16 -3.00 0.15 0.00 0.02 0.00 0.00 34.50 31.51 1b7r s PRO 71 CO 0.09 -0.54 0.81 0.41 -0.33 0.00 0.00 177.00 177.44 1b7r n GLY 72 N 1.11 -0.45 3.97 0.52 0.00 -1.26 -4.95 105.19 104.12 1b7r n GLY 72 Ca 0.03 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1b7r n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7r s ALA 73 N -3.30 3.90 0.50 4.61 0.00 -1.23 -5.00 121.76 121.24 1b7r s ALA 73 Ca 0.72 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1b7r s ALA 73 Cb -0.39 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1b7r s ALA 73 CO 0.92 0.21 0.01 0.14 0.00 0.00 0.00 175.76 177.04 1b7r s VAL 74 N -2.02 1.19 -0.40 0.00 -7.23 0.43 -4.99 120.40 107.38 1b7r s VAL 74 Ca 0.35 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 1b7r s VAL 74 Cb -0.09 -2.23 0.23 0.00 0.56 0.00 0.00 36.38 34.85 1b7r s VAL 74 CO 0.30 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.40 1b7r n ASN 75 N -1.24 -0.15 0.28 4.85 5.15 -1.23 -3.85 115.26 119.07 1b7r n ASN 75 Ca -0.17 -2.67 0.14 0.00 -0.60 0.00 0.00 54.58 51.28 1b7r n ASN 75 Cb 0.67 -0.46 0.82 0.00 -0.53 0.00 0.00 39.78 40.27 1b7r n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b7r h ALA 76 N 4.30 1.36 -0.00 5.20 0.00 -1.03 -1.51 119.26 127.58 1b7r h ALA 76 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b7r h ALA 76 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1b7r h ALA 76 CO 0.43 0.09 -0.33 0.00 0.00 0.00 0.00 179.25 179.43 1b7r n HIS 78 N -1.19 -2.07 -4.00 0.00 -0.00 -0.57 -4.98 115.22 102.41 1b7r n HIS 78 Ca 0.09 0.85 -0.08 0.00 -0.00 0.00 0.00 57.72 58.57 1b7r n HIS 78 Cb 0.33 -4.52 -0.10 0.00 -0.00 0.00 0.00 29.99 25.71 1b7r n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b7r s LEU 79 N -6.41 2.15 0.32 2.41 1.43 -1.26 -5.07 118.68 112.25 1b7r s LEU 79 Ca 0.09 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1b7r s LEU 79 Cb -0.02 0.34 -0.10 0.00 0.03 0.00 0.00 46.19 46.45 1b7r s LEU 79 CO 0.78 -0.50 0.92 -0.55 0.23 0.00 0.00 176.35 177.23 1b7r s SER 80 N -2.29 7.29 0.62 2.29 0.15 -1.26 -1.15 113.70 119.35 1b7r s SER 80 Ca -0.03 1.78 0.38 0.00 0.70 0.00 0.00 55.95 58.78 1b7r s SER 80 Cb 0.00 -2.56 2.07 0.00 -1.71 0.00 0.00 66.02 63.82 1b7r s SER 80 CO -0.06 -0.07 2.28 0.00 1.20 0.00 0.00 173.24 176.59 1b7r h SER 82 N 0.00 0.30 0.56 0.00 0.87 -1.91 -0.48 113.55 112.88 1b7r h SER 82 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1b7r h SER 82 Cb 0.09 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1b7r h SER 82 CO 0.00 0.20 -0.04 0.00 -0.53 0.00 0.00 176.83 176.47 1b7r h ALA 83 N 1.79 1.06 -0.17 6.23 0.00 -1.73 -1.87 119.26 124.58 1b7r h ALA 83 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1b7r h ALA 83 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1b7r h ALA 83 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1b7r n LEU 84 N -3.22 1.33 -0.41 0.00 4.77 -0.19 -3.58 117.00 115.71 1b7r n LEU 84 Ca -0.01 -0.59 0.04 0.00 -0.03 0.00 0.00 56.01 55.42 1b7r n LEU 84 Cb 0.22 -0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 1b7r n LEU 84 CO 0.26 0.29 0.57 0.18 -1.33 0.00 0.00 177.39 177.36 1b7r n LEU 85 N 0.13 2.53 -4.87 2.23 4.77 -0.70 -3.58 117.00 117.51 1b7r n LEU 85 Ca 0.14 -1.92 -0.31 0.00 -0.03 0.00 0.00 56.01 53.89 1b7r n LEU 85 Cb 0.26 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1b7r n LEU 85 CO 0.11 0.63 0.73 -1.10 -1.33 0.00 0.00 177.39 176.42 1b7r s GLN 86 N -0.97 3.36 0.19 3.23 -0.21 -1.23 -4.46 119.66 119.56 1b7r s GLN 86 Ca 0.15 0.66 -0.01 0.00 0.02 0.00 0.00 55.36 56.18 1b7r s GLN 86 Cb 0.08 -2.06 0.09 0.00 1.00 0.00 0.00 33.01 32.11 1b7r s GLN 86 CO 0.10 -0.72 1.46 -0.44 -2.12 0.00 0.00 175.29 173.57 1b7r h ASP 87 N -0.43 0.46 -3.30 5.90 5.19 -1.93 -3.41 116.42 118.91 1b7r h ASP 87 Ca -0.44 -0.29 -0.57 0.00 -0.62 0.00 0.00 57.03 55.10 1b7r h ASP 87 Cb 1.21 -0.14 -0.06 0.00 0.18 0.00 0.00 39.33 40.52 1b7r h ASP 87 CO 0.63 1.02 0.90 0.21 -3.12 0.00 0.00 179.24 178.87 1b7r s ASN 88 N -6.96 6.81 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.90 1b7r s ASN 88 Ca -0.06 1.04 0.07 0.00 0.21 0.00 0.00 52.86 54.13 1b7r s ASN 88 Cb 0.11 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.49 1b7r s ASN 88 CO 0.83 -0.99 1.16 2.30 -2.79 0.00 0.00 177.10 177.61 1b7r n ILE 89 N 6.09 0.39 -0.12 -5.21 -5.35 -1.26 -4.43 119.36 109.48 1b7r n ILE 89 Ca 0.13 -0.35 -0.05 0.00 -0.27 0.00 0.00 62.75 62.21 1b7r n ILE 89 Cb 0.47 0.11 0.03 0.00 -1.74 0.00 0.00 39.64 38.51 1b7r n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b7r h ALA 90 N 3.38 0.41 -0.57 -1.28 0.00 -1.95 0.43 119.26 119.68 1b7r h ALA 90 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1b7r h ALA 90 Cb 0.40 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1b7r h ALA 90 CO 0.02 -0.34 -0.06 -0.44 0.00 0.00 0.00 179.25 178.43 1b7r h ASP 91 N 0.18 1.04 -0.47 0.00 3.45 -1.87 -1.13 116.42 117.62 1b7r h ASP 91 Ca 0.19 -0.32 -0.05 0.00 0.43 0.00 0.00 57.03 57.28 1b7r h ASP 91 Cb 0.24 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1b7r h ASP 91 CO -0.27 1.12 0.12 0.00 -1.57 0.00 0.00 179.24 178.64 1b7r h ALA 92 N 0.98 1.21 -0.28 3.45 0.00 -1.65 -1.10 119.26 121.87 1b7r h ALA 92 Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1b7r h ALA 92 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1b7r h ALA 92 CO 0.04 0.54 -0.20 0.28 0.00 0.00 0.00 179.25 179.91 1b7r h VAL 93 N 0.79 1.30 -0.89 0.00 2.07 -0.66 -0.03 116.25 118.83 1b7r h VAL 93 Ca 0.17 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1b7r h VAL 93 Cb 0.31 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1b7r h VAL 93 CO 0.00 0.43 0.54 0.00 0.02 0.00 0.00 177.57 178.56 1b7r h ALA 94 N 0.72 1.27 -0.18 1.67 0.00 -0.97 -1.26 119.26 120.50 1b7r h ALA 94 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1b7r h ALA 94 Cb 0.75 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b7r h ALA 94 CO 0.05 0.63 -0.60 0.00 0.00 0.00 0.00 179.25 179.33 1b7r h ALA 96 N 0.88 1.12 -0.78 0.00 0.00 -0.62 -1.14 119.26 118.71 1b7r h ALA 96 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1b7r h ALA 96 Cb 1.17 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1b7r h ALA 96 CO 0.12 0.61 0.50 0.87 0.00 0.00 0.00 179.25 181.34 1b7r h LYS 97 N 0.97 1.04 -0.49 0.00 1.57 -1.11 -2.33 116.57 116.23 1b7r h LYS 97 Ca 0.22 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1b7r h LYS 97 Cb 0.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1b7r h LYS 97 CO -0.01 0.71 0.20 -0.09 -0.57 0.00 0.00 179.45 179.68 1b7r h ARG 98 N 1.06 0.73 -0.66 3.15 9.65 -0.99 -2.97 114.38 124.34 1b7r h ARG 98 Ca 0.28 -0.13 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 1b7r h ARG 98 Cb -0.09 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.30 1b7r h ARG 98 CO -0.06 0.65 0.33 0.28 2.80 0.00 0.00 179.97 183.97 1b7r h VAL 99 N 0.65 0.88 0.00 0.20 2.07 -0.70 -2.09 116.25 117.26 1b7r h VAL 99 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1b7r h VAL 99 Cb 0.19 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1b7r h VAL 99 CO -0.01 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.01 1b7r n VAL 100 N -4.86 0.19 0.59 2.57 0.24 -0.99 -2.77 118.33 113.30 1b7r n VAL 100 Ca 0.09 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 1b7r n VAL 100 Cb 0.23 -0.63 0.40 0.00 -1.47 0.00 0.00 33.84 32.37 1b7r n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b7r h ARG 101 N 0.00 0.00 -7.41 7.34 3.08 -1.23 -3.37 114.38 112.79 1b7r h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1b7r h ARG 101 Cb 0.22 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.36 1b7r h ARG 101 CO 0.00 0.00 0.37 -0.51 -1.07 0.00 0.00 179.97 178.76 1b7r s ASP 102 N -4.60 5.01 0.27 7.04 -0.00 -1.11 -4.96 116.67 118.31 1b7r s ASP 102 Ca 0.10 1.33 -0.02 0.00 -0.00 0.00 0.00 52.55 53.97 1b7r s ASP 102 Cb 0.12 -2.13 0.58 0.00 -0.00 0.00 0.00 42.92 41.49 1b7r s ASP 102 CO 0.59 -1.64 1.66 1.55 -0.00 0.00 0.00 175.17 177.33 1b7r h PRO 103 N -0.86 0.23 0.00 8.23 0.13 -1.89 -2.35 132.00 135.49 1b7r h PRO 103 Ca -0.46 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1b7r h PRO 103 Cb 1.25 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b7r h PRO 103 CO 0.60 0.15 -0.10 1.96 -0.23 0.00 0.00 178.00 180.39 1b7r h GLN 104 N 0.24 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.02 1b7r h GLN 104 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1b7r h GLN 104 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1b7r h GLN 104 CO -0.59 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.07 1b7r n GLY 105 N -1.09 2.09 0.30 3.46 0.00 -0.89 -2.31 105.19 106.76 1b7r n GLY 105 Ca -0.03 -0.55 0.18 0.00 0.00 0.00 0.00 46.02 45.62 1b7r n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7r h ILE 106 N 0.00 0.27 0.00 -0.61 6.09 -1.92 -2.27 117.51 119.07 1b7r h ILE 106 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1b7r h ILE 106 Cb 0.00 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1b7r h ILE 106 CO 0.00 0.03 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 1b7r n ARG 107 N -3.40 0.01 0.17 2.19 1.74 -0.98 -2.76 116.66 113.63 1b7r n ARG 107 Ca -0.02 0.38 0.15 0.00 -0.77 0.00 0.00 57.85 57.59 1b7r n ARG 107 Cb 0.15 -1.53 0.74 0.00 -1.02 0.00 0.00 32.46 30.80 1b7r n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b7r h ALA 108 N 2.25 2.05 -2.78 7.54 0.00 -1.56 -3.38 119.26 123.38 1b7r h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1b7r h ALA 108 Cb 0.13 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 1b7r h ALA 108 CO 0.00 -0.30 -0.39 -1.58 0.00 0.00 0.00 179.25 176.98 1b7r s TRP 109 N -4.87 3.23 0.44 0.00 0.51 -1.11 -4.97 118.94 112.17 1b7r s TRP 109 Ca -0.05 0.16 0.19 0.00 -2.12 0.00 0.00 56.10 54.28 1b7r s TRP 109 Cb 0.17 -2.49 1.18 0.00 -0.81 0.00 0.00 33.47 31.52 1b7r s TRP 109 CO 0.64 -0.24 2.03 0.28 -0.51 0.00 0.00 176.95 179.14 1b7r h VAL 110 N 5.41 0.93 -0.37 4.03 2.07 -1.90 -1.92 116.25 124.50 1b7r h VAL 110 Ca -0.33 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1b7r h VAL 110 Cb 1.17 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1b7r h VAL 110 CO 0.61 0.16 0.08 0.00 0.02 0.00 0.00 177.57 178.43 1b7r h ALA 111 N 1.84 1.45 -0.57 1.67 0.00 -1.94 -1.61 119.26 120.10 1b7r h ALA 111 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1b7r h ALA 111 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1b7r h ALA 111 CO 0.02 0.40 0.01 2.35 0.00 0.00 0.00 179.25 182.03 1b7r h TRP 112 N 0.53 1.06 -0.26 0.00 7.01 -1.67 -0.07 115.95 122.56 1b7r h TRP 112 Ca 0.12 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1b7r h TRP 112 Cb 0.23 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1b7r h TRP 112 CO 0.01 0.94 0.08 0.00 -2.79 0.00 0.00 178.44 176.68 1b7r h ARG 113 N 0.90 0.40 -0.29 2.65 3.08 -1.35 0.21 114.38 119.98 1b7r h ARG 113 Ca 0.17 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1b7r h ARG 113 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1b7r h ARG 113 CO 0.03 0.46 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.24 1b7r h ASN 114 N 0.25 0.72 0.00 7.04 2.35 -1.18 -3.34 115.58 121.41 1b7r h ASN 114 Ca 0.08 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1b7r h ASN 114 Cb 0.23 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1b7r h ASN 114 CO -0.00 1.02 -0.87 0.54 -1.65 0.00 0.00 177.43 176.46 1b7r n ARG 115 N -4.30 1.84 0.00 0.81 5.12 -0.05 -4.82 116.66 115.25 1b7r n ARG 115 Ca -0.04 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1b7r n ARG 115 Cb 0.44 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1b7r n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b7r n GLN 117 N -2.01 2.60 -1.88 0.00 7.27 -0.11 -2.48 117.38 120.77 1b7r n GLN 117 Ca 0.00 0.93 -0.19 0.00 0.07 0.00 0.00 57.00 57.81 1b7r n GLN 117 Cb 0.37 -2.73 -0.05 0.00 2.41 0.00 0.00 30.24 30.24 1b7r n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1b7r n ASN 118 N 3.14 -5.37 -4.67 1.69 5.03 -1.26 -4.98 115.26 108.83 1b7r n ASN 118 Ca 0.13 0.27 -0.25 0.00 0.87 0.00 0.00 54.58 55.60 1b7r n ASN 118 Cb 0.34 -4.50 -0.09 0.00 -1.02 0.00 0.00 39.78 34.52 1b7r n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b7r s ARG 119 N -4.15 2.11 -0.65 3.52 0.52 -1.04 -5.07 118.95 114.20 1b7r s ARG 119 Ca 0.00 -1.85 -0.24 0.00 -0.52 0.00 0.00 55.73 53.11 1b7r s ARG 119 Cb 0.00 -1.89 0.05 0.00 0.52 0.00 0.00 34.95 33.63 1b7r s ARG 119 CO 0.00 0.01 1.05 0.34 0.02 0.00 0.00 175.30 176.71 1b7r s ASP 120 N -3.79 6.23 0.00 0.23 2.15 -1.26 -4.86 116.67 115.37 1b7r s ASP 120 Ca 0.37 -0.64 0.23 0.00 0.43 0.00 0.00 52.55 52.95 1b7r s ASP 120 Cb 0.03 -2.46 0.56 0.00 -0.30 0.00 0.00 42.92 40.75 1b7r s ASP 120 CO 0.20 -1.48 1.46 1.33 -0.17 0.00 0.00 175.17 176.51 1b7r n VAL 121 N 6.14 0.27 -0.08 1.11 0.24 -1.26 -4.39 118.33 120.37 1b7r n VAL 121 Ca -0.00 -0.52 0.18 0.00 -2.04 0.00 0.00 64.34 61.96 1b7r n VAL 121 Cb 0.47 0.81 0.61 0.00 -1.47 0.00 0.00 33.84 34.26 1b7r n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b7r h ARG 122 N 3.54 0.17 -0.69 7.34 3.08 -1.93 -2.13 114.38 123.76 1b7r h ARG 122 Ca 0.00 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.18 1b7r h ARG 122 Cb 0.77 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1b7r h ARG 122 CO 0.00 0.11 0.47 -0.56 -1.07 0.00 0.00 179.97 178.92 1b7r h GLN 123 N 0.18 0.34 0.00 0.04 3.07 -1.98 -2.10 115.11 114.66 1b7r h GLN 123 Ca 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1b7r h GLN 123 Cb 0.97 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.45 1b7r h GLN 123 CO -0.05 0.22 0.00 1.88 0.09 0.00 0.00 178.83 180.97 1b7r h TYR 124 N 0.35 0.00 0.00 0.06 0.05 -1.73 -3.22 116.97 112.49 1b7r h TYR 124 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1b7r h TYR 124 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 1b7r h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1b7r n VAL 125 N -3.02 0.00 -1.74 -2.88 0.24 -0.85 -4.83 118.33 105.25 1b7r n VAL 125 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1b7r n VAL 125 Cb 0.25 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1b7r n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b7r s GLN 126 N -0.41 4.12 0.00 7.34 -1.52 -0.85 -2.34 119.66 125.99 1b7r s GLN 126 Ca 0.00 2.61 0.00 0.00 -1.95 0.00 0.00 55.36 56.02 1b7r s GLN 126 Cb 0.00 -3.06 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1b7r s GLN 126 CO 0.00 -0.73 0.00 0.41 -0.25 0.00 0.00 175.29 174.72 1b7r n GLY 127 N 3.52 0.70 0.01 3.09 0.00 -1.26 -4.91 105.19 106.34 1b7r n GLY 127 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1b7r n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7r n GLY 129 N 1.49 0.27 0.00 0.00 0.00 -1.26 -4.83 105.19 100.86 1b7r n GLY 129 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1b7r n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65