#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqc s VAL 2 N 0.00 4.64 0.53 3.15 1.01 -1.26 -1.23 120.40 127.24 2bqc s VAL 2 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 2bqc s VAL 2 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 2bqc s VAL 2 CO 0.00 -0.07 1.09 -0.36 0.00 0.00 0.00 175.10 175.76 2bqc s PHE 3 N 1.60 2.82 0.25 5.22 0.40 0.03 -5.00 117.98 123.28 2bqc s PHE 3 Ca 0.04 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 2bqc s PHE 3 Cb -0.18 -3.18 -0.08 0.00 0.51 0.00 0.00 43.02 40.10 2bqc s PHE 3 CO 0.07 -1.25 0.59 -1.21 0.70 0.00 0.00 175.22 174.11 2bqc s GLU 4 N -3.35 3.85 0.06 0.44 2.02 -1.26 -4.88 118.70 115.58 2bqc s GLU 4 Ca 0.70 0.36 -0.16 0.00 0.02 0.00 0.00 54.97 55.89 2bqc s GLU 4 Cb -0.20 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.36 2bqc s GLU 4 CO 0.25 0.29 1.26 -0.09 0.02 0.00 0.00 175.26 176.99 2bqc h ARG 5 N 2.53 -0.23 -0.10 1.61 2.43 -1.96 -1.31 114.38 117.34 2bqc h ARG 5 Ca -0.47 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 2bqc h ARG 5 Cb 1.17 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bqc h ARG 5 CO 0.68 -0.15 -0.13 0.00 -1.51 0.00 0.00 179.97 178.86 2bqc h GLU 7 N 0.15 0.62 -0.46 0.00 4.81 -1.87 -1.61 114.58 116.22 2bqc h GLU 7 Ca 0.03 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2bqc h GLU 7 Cb 0.32 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2bqc h GLU 7 CO 0.02 0.46 0.12 1.25 -0.73 0.00 0.00 179.01 180.13 2bqc h LEU 8 N 0.60 0.68 -0.21 1.64 5.85 -0.68 -2.54 115.31 120.66 2bqc h LEU 8 Ca 0.16 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bqc h LEU 8 Cb 0.01 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2bqc h LEU 8 CO -0.03 0.73 -0.17 0.00 -0.34 0.00 0.00 178.44 178.63 2bqc h ALA 9 N 0.98 -0.04 -0.41 1.25 0.00 -0.88 0.01 119.26 120.17 2bqc h ALA 9 Ca 0.14 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2bqc h ALA 9 Cb 0.30 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2bqc h ALA 9 CO -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 179.25 178.68 2bqc h ARG 10 N -0.18 0.65 -0.16 0.00 3.08 -1.29 -1.72 114.38 114.77 2bqc h ARG 10 Ca 0.12 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2bqc h ARG 10 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2bqc h ARG 10 CO -0.31 0.65 0.01 1.15 -1.07 0.00 0.00 179.97 180.40 2bqc h THR 11 N 0.62 1.24 -0.85 2.04 2.02 -0.90 -1.27 112.91 115.80 2bqc h THR 11 Ca 0.13 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 2bqc h THR 11 Cb 0.35 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2bqc h THR 11 CO 0.01 0.23 0.44 -0.07 0.37 0.00 0.00 175.52 176.51 2bqc h LEU 12 N 0.04 1.09 -0.39 2.58 3.38 -0.88 -1.13 115.31 119.99 2bqc h LEU 12 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bqc h LEU 12 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2bqc h LEU 12 CO 0.01 0.89 0.21 0.50 0.09 0.00 0.00 178.44 180.14 2bqc h LYS 13 N 1.20 0.54 0.00 1.13 3.64 -1.12 -1.88 116.57 120.08 2bqc h LYS 13 Ca 0.30 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2bqc h LYS 13 Cb 0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2bqc h LYS 13 CO -0.04 0.44 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.35 2bqc h ARG 14 N 0.50 0.00 -0.28 1.90 2.43 -0.72 -2.00 114.38 116.21 2bqc h ARG 14 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2bqc h ARG 14 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2bqc h ARG 14 CO -0.02 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.85 2bqc n LEU 15 N -4.37 1.35 -1.07 3.80 4.77 -0.48 -4.91 117.00 116.10 2bqc n LEU 15 Ca -0.03 -0.68 -0.09 0.00 -0.03 0.00 0.00 56.01 55.19 2bqc n LEU 15 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2bqc n LEU 15 CO 0.36 0.32 -0.08 0.61 -1.33 0.00 0.00 177.39 177.26 2bqc n GLY 16 N 0.83 0.06 0.12 -0.72 0.00 -0.75 -4.96 105.19 99.77 2bqc n GLY 16 Ca 0.08 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.67 2bqc n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqc h MET 17 N -0.14 0.00 -6.17 1.61 2.86 -1.57 -3.41 114.93 108.11 2bqc h MET 17 Ca -0.21 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.86 2bqc h MET 17 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2bqc h MET 17 CO 0.24 0.14 1.35 0.34 1.06 0.00 0.00 176.91 180.04 2bqc s ASP 18 N -5.71 5.72 0.00 1.22 2.15 -1.26 -1.56 116.67 117.23 2bqc s ASP 18 Ca 0.00 1.47 0.00 0.00 0.43 0.00 0.00 52.55 54.45 2bqc s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bqc s ASP 18 CO 0.78 -1.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 2bqc n GLY 19 N 5.54 0.48 3.65 2.66 0.00 0.59 -4.89 105.19 113.23 2bqc n GLY 19 Ca 0.25 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2bqc n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqc s TYR 20 N -2.00 1.69 -1.38 1.61 5.04 -0.60 -2.07 117.35 119.63 2bqc s TYR 20 Ca 0.00 0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.58 2bqc s TYR 20 Cb 0.00 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 38.31 2bqc s TYR 20 CO 0.00 -4.39 0.48 0.54 -1.34 0.00 0.00 175.55 170.84 2bqc n ARG 21 N 7.43 -3.85 -0.45 4.97 5.12 -1.26 -1.50 116.66 127.12 2bqc n ARG 21 Ca 0.19 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 2bqc n ARG 21 Cb 0.43 -5.43 0.00 0.00 -1.16 0.00 0.00 32.46 26.30 2bqc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqc n GLY 22 N -1.27 1.05 3.57 -0.13 0.00 -0.88 -5.00 105.19 102.53 2bqc n GLY 22 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2bqc n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bqc s VAL 23 N -3.05 4.96 0.72 1.61 1.01 -0.56 -4.89 120.40 120.20 2bqc s VAL 23 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 61.98 62.40 2bqc s VAL 23 Cb 0.00 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2bqc s VAL 23 CO 0.00 -0.21 1.13 -0.94 0.00 0.00 0.00 175.10 175.08 2bqc s SER 24 N 1.74 4.62 0.23 3.32 1.04 -1.26 -0.30 113.70 123.09 2bqc s SER 24 Ca 0.22 2.06 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 2bqc s SER 24 Cb -0.15 -2.56 0.27 0.00 0.10 0.00 0.00 66.02 63.68 2bqc s SER 24 CO 0.13 -1.96 1.87 0.25 0.98 0.00 0.00 173.24 174.51 2bqc h LEU 25 N -0.40 0.90 -1.64 2.42 5.85 -1.90 -1.31 115.31 119.23 2bqc h LEU 25 Ca -0.46 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2bqc h LEU 25 Cb 1.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2bqc h LEU 25 CO 0.52 0.61 0.38 0.00 -0.34 0.00 0.00 178.44 179.60 2bqc h ALA 26 N 1.36 1.97 -0.25 1.25 0.00 -1.92 -0.71 119.26 120.97 2bqc h ALA 26 Ca 0.34 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 2bqc h ALA 26 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bqc h ALA 26 CO -0.13 -0.08 -0.62 -0.91 0.00 0.00 0.00 179.25 177.51 2bqc h ASN 27 N 0.43 0.98 -0.31 0.00 2.35 -1.56 -1.29 115.58 116.17 2bqc h ASN 27 Ca 0.26 -0.56 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 2bqc h ASN 27 Cb 0.45 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2bqc h ASN 27 CO -0.07 1.37 -0.03 -0.50 -1.65 0.00 0.00 177.43 176.55 2bqc h TRP 28 N 0.64 0.72 -0.36 1.19 4.06 -0.99 -1.06 115.95 120.15 2bqc h TRP 28 Ca -0.01 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 2bqc h TRP 28 Cb 1.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 2bqc h TRP 28 CO 0.08 0.69 0.01 0.52 -3.56 0.00 0.00 178.44 176.18 2bqc h MET 29 N 0.64 0.64 -0.80 0.49 2.86 -1.03 -0.95 114.93 116.77 2bqc h MET 29 Ca 0.13 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2bqc h MET 29 Cb 0.43 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2bqc h MET 29 CO 0.02 0.74 0.45 0.00 1.06 0.00 0.00 176.91 179.18 2bqc h LEU 31 N 1.10 -0.13 -0.88 0.00 5.85 -0.98 -2.55 115.31 117.71 2bqc h LEU 31 Ca 0.28 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2bqc h LEU 31 Cb 0.01 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2bqc h LEU 31 CO -0.05 0.03 0.48 0.00 -0.34 0.00 0.00 178.44 178.56 2bqc h ALA 32 N 0.60 1.13 -0.09 1.25 0.00 -1.02 -0.33 119.26 120.80 2bqc h ALA 32 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2bqc h ALA 32 Cb 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2bqc h ALA 32 CO 0.02 0.65 -0.09 -0.22 0.00 0.00 0.00 179.25 179.61 2bqc h LYS 33 N 1.24 -0.11 0.00 0.00 1.63 -0.95 -1.64 116.57 116.75 2bqc h LYS 33 Ca 0.31 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.03 2bqc h LYS 33 Cb 0.04 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2bqc h LYS 33 CO -0.05 -0.07 -0.50 -1.49 -3.45 0.00 0.00 179.45 173.89 2bqc h TRP 34 N -0.11 0.00 0.12 1.91 4.06 -1.31 -0.39 115.95 120.23 2bqc h TRP 34 Ca 0.07 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.74 2bqc h TRP 34 Cb 0.20 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2bqc h TRP 34 CO -0.20 0.40 -1.16 0.93 -3.56 0.00 0.00 178.44 174.85 2bqc h GLU 35 N 0.00 0.58 0.00 0.49 4.39 -0.94 -3.42 114.58 115.68 2bqc h GLU 35 Ca -0.02 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 58.91 2bqc h GLU 35 Cb 1.32 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2bqc h GLU 35 CO 0.05 1.35 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 2bqc n SER 36 N -3.86 0.00 -1.80 1.42 3.41 -0.66 -4.86 113.62 107.26 2bqc n SER 36 Ca -0.14 -0.48 -0.12 0.00 -0.26 0.00 0.00 58.87 57.88 2bqc n SER 36 Cb 0.95 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.92 2bqc n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqc n GLY 37 N 0.00 0.09 2.42 5.00 0.00 -0.15 -2.90 105.19 109.65 2bqc n GLY 37 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2bqc n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqc n TYR 38 N -3.87 -1.00 -3.76 1.61 4.01 -1.17 -4.76 117.16 108.22 2bqc n TYR 38 Ca -0.04 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 2bqc n TYR 38 Cb 0.55 -3.77 -0.13 0.00 -0.31 0.00 0.00 39.34 35.69 2bqc n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqc s ASN 39 N -2.21 5.07 0.53 7.72 2.47 -1.14 -0.79 114.94 126.59 2bqc s ASN 39 Ca 0.03 -0.42 0.32 0.00 0.42 0.00 0.00 52.86 53.21 2bqc s ASN 39 Cb -0.01 -1.89 1.26 0.00 -1.45 0.00 0.00 41.25 39.15 2bqc s ASN 39 CO 0.04 -0.10 1.95 0.71 -3.72 0.00 0.00 177.10 175.98 2bqc h THR 40 N 5.68 0.09 -0.67 -5.21 1.35 -1.49 -3.09 112.91 109.57 2bqc h THR 40 Ca -0.36 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2bqc h THR 40 Cb 1.15 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2bqc h THR 40 CO 0.59 0.03 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 2bqc n ARG 41 N -3.14 2.69 -1.98 4.72 1.85 -1.26 -4.11 116.66 115.42 2bqc n ARG 41 Ca 0.01 -2.61 -0.42 0.00 -1.00 0.00 0.00 57.85 53.83 2bqc n ARG 41 Cb 0.33 -1.57 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 2bqc n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqc s ALA 42 N -1.11 3.72 0.06 2.89 0.00 -1.17 -4.81 121.76 121.34 2bqc s ALA 42 Ca 0.48 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.76 2bqc s ALA 42 Cb 0.25 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2bqc s ALA 42 CO 0.34 -0.82 -0.13 0.95 0.00 0.00 0.00 175.76 176.10 2bqc s THR 43 N 1.48 0.98 -0.19 0.00 -4.23 -1.26 -0.52 115.64 111.91 2bqc s THR 43 Ca 0.70 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 2bqc s THR 43 Cb -0.41 -0.95 0.09 0.00 1.34 0.00 0.00 72.50 72.56 2bqc s THR 43 CO 0.31 -0.21 0.23 0.21 -0.54 0.00 0.00 174.62 174.62 2bqc s ASN 44 N -1.57 1.18 -0.01 3.99 2.47 -0.20 -4.95 114.94 115.85 2bqc s ASN 44 Ca -0.03 -0.08 -0.28 0.00 0.42 0.00 0.00 52.86 52.89 2bqc s ASN 44 Cb -0.09 0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 40.10 2bqc s ASN 44 CO 0.02 -0.31 0.91 -0.47 -3.72 0.00 0.00 177.10 173.52 2bqc s TYR 45 N 2.34 3.64 -0.61 0.43 5.04 -1.26 -0.67 117.35 126.26 2bqc s TYR 45 Ca 0.06 1.58 -0.12 0.00 -2.44 0.00 0.00 57.07 56.16 2bqc s TYR 45 Cb -0.15 -3.04 0.16 0.00 0.35 0.00 0.00 41.96 39.28 2bqc s TYR 45 CO -0.11 0.02 0.52 -0.80 -1.34 0.00 0.00 175.55 173.84 2bqc s ASN 46 N 0.93 6.11 0.57 4.32 0.01 0.07 -4.91 114.94 122.04 2bqc s ASN 46 Ca 0.48 -2.20 0.25 0.00 -0.71 0.00 0.00 52.86 50.69 2bqc s ASN 46 Cb -0.20 -2.11 1.65 0.00 0.41 0.00 0.00 41.25 40.99 2bqc s ASN 46 CO 0.25 -0.68 2.22 0.00 -1.51 0.00 0.00 177.10 177.38 2bqc h ALA 47 N 8.25 1.69 -0.67 0.60 0.00 -1.95 0.08 119.26 127.26 2bqc h ALA 47 Ca -0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2bqc h ALA 47 Cb 1.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2bqc h ALA 47 CO 0.87 -0.02 0.21 0.78 0.00 0.00 0.00 179.25 181.09 2bqc h GLY 48 N 0.00 1.11 0.00 0.00 0.00 -1.95 -3.31 103.07 98.93 2bqc h GLY 48 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2bqc h GLY 48 CO -0.00 0.61 0.00 2.09 0.00 0.00 0.00 176.54 179.24 2bqc n ASP 49 N -4.34 1.60 -1.62 0.19 5.68 -1.11 -5.02 116.55 111.93 2bqc n ASP 49 Ca 0.05 -1.69 -0.17 0.00 -0.50 0.00 0.00 54.79 52.48 2bqc n ASP 49 Cb 0.22 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 2bqc n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bqc n ARG 50 N -0.34 -1.25 -3.95 0.11 1.74 -0.00 -4.76 116.66 108.20 2bqc n ARG 50 Ca 0.00 0.92 -0.22 0.00 -0.77 0.00 0.00 57.85 57.78 2bqc n ARG 50 Cb 0.21 -5.25 -0.05 0.00 -1.02 0.00 0.00 32.46 26.35 2bqc n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqc s SER 51 N -2.50 4.98 0.02 0.55 1.04 -1.19 -4.44 113.70 112.16 2bqc s SER 51 Ca 0.00 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.83 2bqc s SER 51 Cb 0.00 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.27 2bqc s SER 51 CO 0.00 -0.34 -0.13 -0.89 0.98 0.00 0.00 173.24 172.86 2bqc s THR 52 N -2.37 1.04 -0.18 2.02 2.01 -1.26 -0.75 115.64 116.15 2bqc s THR 52 Ca 0.40 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2bqc s THR 52 Cb -0.04 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 2bqc s THR 52 CO 0.25 0.10 0.13 -1.81 -0.69 0.00 0.00 174.62 172.60 2bqc s ASP 53 N -0.81 6.23 -0.03 3.53 1.01 0.15 -1.48 116.67 125.28 2bqc s ASP 53 Ca 0.03 0.27 0.07 0.00 0.71 0.00 0.00 52.55 53.63 2bqc s ASP 53 Cb -0.07 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2bqc s ASP 53 CO 0.01 0.23 -0.25 -0.31 0.21 0.00 0.00 175.17 175.05 2bqc s TYR 54 N 0.08 2.30 0.00 4.23 1.51 0.04 -1.04 117.35 124.47 2bqc s TYR 54 Ca 0.09 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 2bqc s TYR 54 Cb -0.11 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2bqc s TYR 54 CO -0.01 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 2bqc n GLY 55 N 2.65 -1.71 0.30 0.71 0.00 0.32 -1.44 105.19 106.01 2bqc n GLY 55 Ca -0.16 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.58 2bqc n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqc h ILE 56 N 0.00 1.07 -0.48 -0.61 2.10 -1.70 -2.04 117.51 115.85 2bqc h ILE 56 Ca 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.79 2bqc h ILE 56 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 2bqc h ILE 56 CO 0.00 0.08 0.00 0.49 -1.08 0.00 0.00 178.15 177.64 2bqc n PHE 57 N -4.49 0.63 -3.75 2.19 3.72 -1.26 -4.08 117.46 110.41 2bqc n PHE 57 Ca 0.02 -0.37 -0.31 0.00 -0.05 0.00 0.00 57.45 56.75 2bqc n PHE 57 Cb 0.09 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2bqc n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqc n GLN 58 N 1.31 -1.04 -2.92 -1.08 1.13 -0.77 -4.91 117.38 109.10 2bqc n GLN 58 Ca 0.19 0.53 -0.40 0.00 -1.94 0.00 0.00 57.00 55.38 2bqc n GLN 58 Cb 0.56 -3.39 -0.04 0.00 0.11 0.00 0.00 30.24 27.47 2bqc n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqc s ILE 59 N -3.31 4.84 0.07 5.09 1.01 -0.52 -4.47 121.20 123.90 2bqc s ILE 59 Ca 0.32 1.70 -0.30 0.00 0.00 0.00 0.00 60.65 62.37 2bqc s ILE 59 Cb -0.14 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 2bqc s ILE 59 CO 0.89 0.28 0.99 0.21 0.00 0.00 0.00 174.94 177.31 2bqc s ASN 60 N 0.43 7.41 0.26 3.58 3.84 -1.26 -0.78 114.94 128.42 2bqc s ASN 60 Ca 0.42 1.77 0.23 0.00 0.21 0.00 0.00 52.86 55.49 2bqc s ASN 60 Cb -0.20 -2.58 1.00 0.00 -0.55 0.00 0.00 41.25 38.92 2bqc s ASN 60 CO 0.23 -0.17 1.69 -1.54 -2.79 0.00 0.00 177.10 174.52 2bqc n SER 61 N 3.26 0.64 0.10 -4.21 3.41 -0.55 -1.64 113.62 114.63 2bqc n SER 61 Ca 0.04 0.68 -0.04 0.00 -0.26 0.00 0.00 58.87 59.29 2bqc n SER 61 Cb 0.50 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 2bqc n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqc h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.41 114.38 115.90 2bqc h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bqc h ARG 62 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2bqc h ARG 62 CO 0.00 0.82 -0.81 0.66 -1.51 0.00 0.00 179.97 179.13 2bqc n TYR 63 N -3.53 0.00 -0.07 2.20 4.01 -1.13 -0.20 117.16 118.43 2bqc n TYR 63 Ca -0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2bqc n TYR 63 Cb 0.79 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.69 2bqc n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqc n TRP 64 N -1.76 0.00 -4.11 -0.72 7.02 -0.65 0.96 117.44 118.18 2bqc n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2bqc n TRP 64 Cb 0.40 -0.75 -0.10 0.00 -2.42 0.00 0.00 31.31 28.44 2bqc n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqc s ASN 66 N -2.74 5.62 0.00 0.00 2.47 -0.06 -4.46 114.94 115.76 2bqc s ASN 66 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.33 2bqc s ASN 66 Cb 0.04 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.84 2bqc s ASN 66 CO -0.06 0.07 0.81 -0.90 -3.72 0.00 0.00 177.10 173.29 2bqc n ASP 67 N 4.26 1.61 0.00 -4.21 5.68 -1.26 -1.61 116.55 121.02 2bqc n ASP 67 Ca -0.16 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2bqc n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2bqc n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bqc n GLY 68 N -0.31 1.32 0.76 6.12 0.00 -1.26 -4.66 105.19 107.16 2bqc n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bqc n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqc n LYS 69 N -0.91 1.83 -3.10 1.61 2.85 -1.26 -4.92 118.16 114.25 2bqc n LYS 69 Ca 0.00 -1.58 -0.41 0.00 -1.05 0.00 0.00 58.31 55.27 2bqc n LYS 69 Cb 0.00 -1.40 -0.06 0.00 -0.65 0.00 0.00 35.03 32.91 2bqc n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqc s THR 70 N -1.87 4.98 0.62 0.58 2.01 -1.26 -4.97 115.64 115.73 2bqc s THR 70 Ca 0.23 1.17 -0.18 0.00 0.31 0.00 0.00 61.69 63.21 2bqc s THR 70 Cb 0.17 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2bqc s THR 70 CO 0.32 0.04 1.23 -2.84 -0.69 0.00 0.00 174.62 172.68 2bqc s PRO 71 N 2.40 2.78 -1.03 4.92 0.02 -1.26 -3.15 135.00 139.67 2bqc s PRO 71 Ca 0.27 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.17 2bqc s PRO 71 Cb -0.16 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2bqc s PRO 71 CO 0.09 -1.37 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 2bqc n GLY 72 N 0.58 -0.47 3.81 0.52 0.00 -1.26 -4.92 105.19 103.45 2bqc n GLY 72 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2bqc n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqc s ALA 73 N -2.59 2.84 0.04 4.61 0.00 -1.19 -4.97 121.76 120.51 2bqc s ALA 73 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2bqc s ALA 73 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2bqc s ALA 73 CO 0.00 -0.63 -0.06 0.08 0.00 0.00 0.00 175.76 175.14 2bqc s VAL 74 N -2.50 0.44 -0.51 0.00 1.01 0.72 -5.02 120.40 114.54 2bqc s VAL 74 Ca 0.62 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2bqc s VAL 74 Cb -0.14 -0.63 0.13 0.00 0.00 0.00 0.00 36.38 35.73 2bqc s VAL 74 CO 0.35 -0.46 0.26 0.21 0.00 0.00 0.00 175.10 175.46 2bqc s ASN 75 N -1.70 4.45 0.08 3.32 3.84 -1.25 -3.51 114.94 120.16 2bqc s ASN 75 Ca -0.09 -2.93 0.03 0.00 0.21 0.00 0.00 52.86 50.08 2bqc s ASN 75 Cb -0.08 -1.66 -0.24 0.00 -0.55 0.00 0.00 41.25 38.71 2bqc s ASN 75 CO -0.01 -0.26 1.14 0.00 -2.79 0.00 0.00 177.10 175.18 2bqc h ALA 76 N 6.65 0.30 0.00 1.71 0.00 0.42 -3.27 119.26 125.07 2bqc h ALA 76 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2bqc h ALA 76 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bqc h ALA 76 CO 0.68 1.18 -0.78 0.00 0.00 0.00 0.00 179.25 180.34 2bqc h ALA 77 N 0.82 0.60 -5.12 0.00 0.00 -1.59 -3.49 119.26 110.48 2bqc h ALA 77 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2bqc h ALA 77 Cb 1.88 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.79 2bqc h ALA 77 CO 0.15 0.00 -0.59 0.72 0.00 0.00 0.00 179.25 179.53 2bqc n HIS 78 N -2.68 -2.40 -4.41 0.00 -0.00 -1.23 -5.01 115.22 99.49 2bqc n HIS 78 Ca 0.01 0.86 -0.21 0.00 -0.00 0.00 0.00 57.72 58.38 2bqc n HIS 78 Cb 0.53 -4.47 -0.10 0.00 -0.00 0.00 0.00 29.99 25.96 2bqc n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqc s LEU 79 N -6.30 2.58 0.14 2.41 1.43 -1.26 -5.02 118.68 112.66 2bqc s LEU 79 Ca 0.44 -1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 2bqc s LEU 79 Cb -0.20 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 2bqc s LEU 79 CO 0.62 -0.07 0.84 -0.55 0.23 0.00 0.00 176.35 177.42 2bqc s SER 80 N -3.42 7.43 0.62 2.29 0.15 -1.26 -0.88 113.70 118.62 2bqc s SER 80 Ca 0.27 1.69 0.35 0.00 0.70 0.00 0.00 55.95 58.96 2bqc s SER 80 Cb -0.03 -2.53 1.99 0.00 -1.71 0.00 0.00 66.02 63.75 2bqc s SER 80 CO 0.11 0.11 2.25 0.00 1.20 0.00 0.00 173.24 176.90 2bqc h SER 82 N 0.00 0.36 0.31 0.00 0.87 -1.91 -1.84 113.55 111.34 2bqc h SER 82 Ca 0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2bqc h SER 82 Cb 0.14 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2bqc h SER 82 CO -0.00 0.28 -0.05 0.00 -0.53 0.00 0.00 176.83 176.54 2bqc h ALA 83 N 1.78 1.19 -0.35 6.23 0.00 -1.53 -2.03 119.26 124.55 2bqc h ALA 83 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bqc h ALA 83 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bqc h ALA 83 CO -0.02 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2bqc n LEU 84 N -3.42 1.97 -0.23 0.00 4.77 -0.69 -3.56 117.00 115.84 2bqc n LEU 84 Ca -0.02 -0.99 0.02 0.00 -0.03 0.00 0.00 56.01 54.99 2bqc n LEU 84 Cb 0.18 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2bqc n LEU 84 CO 0.26 0.47 0.54 0.18 -1.33 0.00 0.00 177.39 177.52 2bqc n LEU 85 N 0.52 2.33 -4.88 2.23 4.77 -0.76 -3.26 117.00 117.94 2bqc n LEU 85 Ca 0.12 -1.99 -0.30 0.00 -0.03 0.00 0.00 56.01 53.81 2bqc n LEU 85 Cb 0.32 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2bqc n LEU 85 CO 0.08 0.58 0.74 -1.10 -1.33 0.00 0.00 177.39 176.37 2bqc s GLN 86 N -0.99 2.98 0.17 3.23 -0.21 -1.23 -4.57 119.66 119.03 2bqc s GLN 86 Ca 0.08 0.53 0.02 0.00 0.02 0.00 0.00 55.36 56.01 2bqc s GLN 86 Cb 0.04 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 32.03 2bqc s GLN 86 CO 0.06 -0.97 1.39 -0.44 -2.12 0.00 0.00 175.29 173.21 2bqc h ASP 87 N -0.61 0.30 -3.28 5.90 5.19 -1.93 -3.41 116.42 118.58 2bqc h ASP 87 Ca -0.45 -0.24 -0.59 0.00 -0.62 0.00 0.00 57.03 55.14 2bqc h ASP 87 Cb 1.24 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.58 2bqc h ASP 87 CO 0.63 1.02 0.63 0.21 -3.12 0.00 0.00 179.24 178.61 2bqc s ASN 88 N -6.95 6.88 -0.03 6.45 3.84 -1.26 -4.93 114.94 118.93 2bqc s ASN 88 Ca -0.03 1.02 0.09 0.00 0.21 0.00 0.00 52.86 54.14 2bqc s ASN 88 Cb 0.10 -2.48 0.30 0.00 -0.55 0.00 0.00 41.25 38.62 2bqc s ASN 88 CO 0.83 -0.67 1.17 2.30 -2.79 0.00 0.00 177.10 177.94 2bqc n ILE 89 N 5.50 0.66 -0.18 -5.21 -5.35 -1.26 -4.44 119.36 109.08 2bqc n ILE 89 Ca 0.08 -0.48 -0.01 0.00 -0.27 0.00 0.00 62.75 62.08 2bqc n ILE 89 Cb 0.47 0.02 0.09 0.00 -1.74 0.00 0.00 39.64 38.48 2bqc n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqc h ALA 90 N 3.35 0.69 -0.38 -1.28 0.00 -1.94 0.45 119.26 120.14 2bqc h ALA 90 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2bqc h ALA 90 Cb 0.64 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2bqc h ALA 90 CO 0.07 -0.24 -0.36 -0.44 0.00 0.00 0.00 179.25 178.28 2bqc h ASP 91 N 0.34 0.95 -0.54 0.00 3.32 -1.86 -1.16 116.42 117.46 2bqc h ASP 91 Ca 0.28 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2bqc h ASP 91 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2bqc h ASP 91 CO -0.31 1.20 0.18 0.00 -1.72 0.00 0.00 179.24 178.59 2bqc h ALA 92 N 0.84 1.21 -0.41 3.45 0.00 -1.62 -0.77 119.26 121.96 2bqc h ALA 92 Ca 0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2bqc h ALA 92 Cb 0.94 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2bqc h ALA 92 CO 0.09 0.56 -0.33 0.28 0.00 0.00 0.00 179.25 179.84 2bqc h VAL 93 N 0.86 1.27 -0.45 0.00 2.07 -0.71 -0.95 116.25 118.33 2bqc h VAL 93 Ca 0.19 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 2bqc h VAL 93 Cb 0.26 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2bqc h VAL 93 CO -0.01 0.51 -0.01 0.00 0.02 0.00 0.00 177.57 178.08 2bqc h ALA 94 N 0.84 1.13 -0.37 1.67 0.00 -0.79 -0.86 119.26 120.87 2bqc h ALA 94 Ca 0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2bqc h ALA 94 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2bqc h ALA 94 CO 0.08 0.56 -0.41 0.00 0.00 0.00 0.00 179.25 179.48 2bqc h ALA 95 N 1.28 0.56 -0.74 0.00 0.00 -0.95 -2.46 119.26 116.95 2bqc h ALA 95 Ca 0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2bqc h ALA 95 Cb 0.45 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2bqc h ALA 95 CO 0.02 0.68 0.34 0.00 0.00 0.00 0.00 179.25 180.29 2bqc h ALA 96 N 0.76 1.20 -0.77 0.00 0.00 -0.86 -1.15 119.26 118.44 2bqc h ALA 96 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2bqc h ALA 96 Cb 1.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2bqc h ALA 96 CO 0.10 0.60 0.27 0.87 0.00 0.00 0.00 179.25 181.09 2bqc h LYS 97 N 1.06 1.18 -0.49 0.00 1.57 -1.01 -2.49 116.57 116.39 2bqc h LYS 97 Ca 0.26 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2bqc h LYS 97 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2bqc h LYS 97 CO -0.03 0.98 0.19 -0.09 -0.57 0.00 0.00 179.45 179.93 2bqc h ARG 98 N 1.14 0.74 0.25 3.15 9.65 -0.95 -2.33 114.38 126.02 2bqc h ARG 98 Ca 0.25 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2bqc h ARG 98 Cb 0.27 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2bqc h ARG 98 CO -0.01 0.66 -0.19 0.28 2.80 0.00 0.00 179.97 183.51 2bqc h VAL 99 N 0.66 0.58 0.00 0.20 2.07 -0.89 -2.74 116.25 116.14 2bqc h VAL 99 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2bqc h VAL 99 Cb 0.20 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2bqc h VAL 99 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 2bqc n VAL 100 N -5.32 0.89 0.60 2.57 0.24 -0.97 -2.05 118.33 114.29 2bqc n VAL 100 Ca -0.09 0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.56 2bqc n VAL 100 Cb 0.23 -1.18 0.36 0.00 -1.47 0.00 0.00 33.84 31.79 2bqc n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2bqc n ARG 101 N -2.11 0.02 -2.83 7.34 0.63 -0.88 -4.11 116.66 114.72 2bqc n ARG 101 Ca 0.02 0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 56.88 2bqc n ARG 101 Cb 0.20 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.60 2bqc n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bqc s ASP 102 N -2.96 6.35 0.62 6.15 1.11 -0.87 -4.99 116.67 122.08 2bqc s ASP 102 Ca 0.09 0.91 0.24 0.00 0.18 0.00 0.00 52.55 53.97 2bqc s ASP 102 Cb 0.11 -2.23 1.10 0.00 1.07 0.00 0.00 42.92 42.97 2bqc s ASP 102 CO 0.30 -0.47 1.57 1.55 1.18 0.00 0.00 175.17 179.31 2bqc h PRO 103 N 0.68 0.00 0.00 8.23 0.13 -1.88 -1.66 132.00 137.51 2bqc h PRO 103 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2bqc h PRO 103 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bqc h PRO 103 CO 0.63 0.00 -0.19 1.96 -0.23 0.00 0.00 178.00 180.17 2bqc h GLN 104 N 0.00 0.00 0.00 0.86 4.20 -1.90 -3.49 115.11 114.78 2bqc h GLN 104 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2bqc h GLN 104 Cb 1.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.56 2bqc h GLN 104 CO -0.00 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.67 2bqc n GLY 105 N 1.13 1.18 0.25 3.46 0.00 -0.63 -2.42 105.19 108.17 2bqc n GLY 105 Ca 0.03 -0.71 0.17 0.00 0.00 0.00 0.00 46.02 45.52 2bqc n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqc h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.49 117.51 118.60 2bqc h ILE 106 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2bqc h ILE 106 Cb 0.00 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2bqc h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqc n ARG 107 N -2.76 0.06 -0.05 2.19 1.74 -1.01 -2.79 116.66 114.02 2bqc n ARG 107 Ca -0.01 0.36 0.15 0.00 -0.77 0.00 0.00 57.85 57.58 2bqc n ARG 107 Cb 0.14 -1.62 0.58 0.00 -1.02 0.00 0.00 32.46 30.54 2bqc n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqc h ALA 108 N 2.33 2.20 -2.30 7.54 0.00 -1.60 -3.36 119.26 124.08 2bqc h ALA 108 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2bqc h ALA 108 Cb 0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.83 2bqc h ALA 108 CO 0.00 -0.35 0.04 -1.58 0.00 0.00 0.00 179.25 177.36 2bqc s TRP 109 N -5.24 3.12 0.48 0.00 0.51 -1.12 -4.93 118.94 111.75 2bqc s TRP 109 Ca -0.07 0.04 0.13 0.00 -2.12 0.00 0.00 56.10 54.08 2bqc s TRP 109 Cb 0.20 -3.15 1.11 0.00 -0.81 0.00 0.00 33.47 30.82 2bqc s TRP 109 CO 0.74 -0.72 2.10 0.28 -0.51 0.00 0.00 176.95 178.84 2bqc h VAL 110 N 5.76 1.05 -0.16 4.03 2.07 -1.89 -1.28 116.25 125.82 2bqc h VAL 110 Ca -0.26 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2bqc h VAL 110 Cb 1.11 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2bqc h VAL 110 CO 0.84 0.05 0.04 0.00 0.02 0.00 0.00 177.57 178.52 2bqc h ALA 111 N 1.90 1.77 -0.55 1.67 0.00 -1.93 -1.77 119.26 120.34 2bqc h ALA 111 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2bqc h ALA 111 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2bqc h ALA 111 CO -0.01 0.18 0.08 2.35 0.00 0.00 0.00 179.25 181.85 2bqc h TRP 112 N 0.23 0.99 -0.53 0.00 7.01 -1.55 -0.55 115.95 121.54 2bqc h TRP 112 Ca 0.06 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 60.89 2bqc h TRP 112 Cb 0.09 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 2bqc h TRP 112 CO 0.00 0.87 0.23 0.00 -2.79 0.00 0.00 178.44 176.76 2bqc h ARG 113 N 0.81 0.78 -0.23 2.65 -0.00 -1.35 0.21 114.38 117.26 2bqc h ARG 113 Ca 0.17 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.98 59.44 2bqc h ARG 113 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 29.97 30.26 2bqc h ARG 113 CO 0.01 0.67 -0.17 -0.91 0.00 0.00 0.00 179.97 179.57 2bqc h ASN 114 N 0.72 0.55 -0.01 7.04 2.35 -1.27 -3.36 115.58 121.59 2bqc h ASN 114 Ca 0.18 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2bqc h ASN 114 Cb 0.16 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2bqc h ASN 114 CO -0.02 0.88 -0.18 -2.11 -1.65 0.00 0.00 177.43 174.35 2bqc n ARG 115 N -4.45 2.34 0.00 0.81 0.00 -0.23 -4.86 116.66 110.28 2bqc n ARG 115 Ca -0.05 -0.51 0.00 0.00 -0.00 0.00 0.00 57.85 57.30 2bqc n ARG 115 Cb 0.38 -1.01 0.00 0.00 -0.00 0.00 0.00 32.46 31.83 2bqc n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqc n GLN 117 N -2.47 1.92 -1.81 0.00 7.27 -0.14 -2.33 117.38 119.83 2bqc n GLN 117 Ca 0.00 0.68 -0.21 0.00 0.07 0.00 0.00 57.00 57.54 2bqc n GLN 117 Cb 0.42 -2.31 -0.07 0.00 2.41 0.00 0.00 30.24 30.69 2bqc n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqc n ASN 118 N 2.00 -5.63 -4.69 1.69 5.03 -1.26 -4.97 115.26 107.44 2bqc n ASN 118 Ca 0.11 0.38 -0.27 0.00 0.87 0.00 0.00 54.58 55.68 2bqc n ASN 118 Cb 0.31 -4.89 -0.09 0.00 -1.02 0.00 0.00 39.78 34.09 2bqc n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqc s ARG 119 N -4.09 2.09 -0.50 3.52 0.52 -0.98 -5.08 118.95 114.42 2bqc s ARG 119 Ca 0.00 -2.04 -0.25 0.00 -0.52 0.00 0.00 55.73 52.92 2bqc s ARG 119 Cb 0.00 -1.77 0.03 0.00 0.52 0.00 0.00 34.95 33.73 2bqc s ARG 119 CO 0.00 -0.12 0.96 0.34 0.02 0.00 0.00 175.30 176.50 2bqc s ASP 120 N -3.82 6.45 0.00 0.23 -1.08 -1.26 -4.88 116.67 112.31 2bqc s ASP 120 Ca 0.35 -0.03 0.17 0.00 -0.52 0.00 0.00 52.55 52.52 2bqc s ASP 120 Cb 0.07 -2.46 0.38 0.00 -1.46 0.00 0.00 42.92 39.45 2bqc s ASP 120 CO 0.18 -1.16 1.30 1.33 0.52 0.00 0.00 175.17 177.35 2bqc n VAL 121 N 6.39 0.74 -0.24 1.11 0.24 -1.26 -4.55 118.33 120.76 2bqc n VAL 121 Ca 0.05 -0.87 0.06 0.00 -2.04 0.00 0.00 64.34 61.54 2bqc n VAL 121 Cb 0.48 0.73 0.31 0.00 -1.47 0.00 0.00 33.84 33.89 2bqc n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqc h ARG 122 N 3.19 0.84 -0.53 7.34 3.08 -1.92 -2.24 114.38 124.14 2bqc h ARG 122 Ca 0.00 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.15 2bqc h ARG 122 Cb 0.82 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2bqc h ARG 122 CO 0.00 0.55 0.57 -0.56 -1.07 0.00 0.00 179.97 179.46 2bqc h GLN 123 N 0.86 0.00 0.00 0.04 3.07 -1.97 -1.54 115.11 115.57 2bqc h GLN 123 Ca 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.05 2bqc h GLN 123 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2bqc h GLN 123 CO -0.13 0.00 -0.19 1.88 0.09 0.00 0.00 178.83 180.48 2bqc h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.73 -3.23 116.97 112.11 2bqc h TYR 124 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2bqc h TYR 124 Cb 1.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.13 2bqc h TYR 124 CO 0.00 0.19 0.00 1.33 -1.05 0.00 0.00 178.16 178.63 2bqc n VAL 125 N -3.30 0.75 -2.02 -2.88 0.24 -0.63 -4.83 118.33 105.66 2bqc n VAL 125 Ca 0.01 -0.87 -0.42 0.00 -2.04 0.00 0.00 64.34 61.01 2bqc n VAL 125 Cb 0.44 0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 2bqc n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqc s GLN 126 N -0.75 4.25 0.00 7.34 2.00 -0.91 -2.57 119.66 129.02 2bqc s GLN 126 Ca 0.00 2.25 0.00 0.00 -2.00 0.00 0.00 55.36 55.61 2bqc s GLN 126 Cb 0.00 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.54 2bqc s GLN 126 CO 0.00 -0.57 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 2bqc n GLY 127 N 3.71 1.93 0.04 2.59 0.00 -1.26 -4.89 105.19 107.30 2bqc n GLY 127 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2bqc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqc n GLY 129 N 1.12 0.37 0.00 0.00 0.00 -1.26 -4.83 105.19 100.59 2bqc n GLY 129 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2bqc n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65