#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6q s VAL 2 N 0.00 4.11 0.69 3.15 1.01 -1.26 -1.38 120.40 126.72 1d6q s VAL 2 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 1d6q s VAL 2 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1d6q s VAL 2 CO 0.00 -0.33 1.11 -0.36 0.00 0.00 0.00 175.10 175.51 1d6q s PHE 3 N 1.44 2.61 0.13 5.22 0.08 -0.79 -5.01 117.98 121.66 1d6q s PHE 3 Ca 0.01 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.54 1d6q s PHE 3 Cb -0.21 -3.13 -0.06 0.00 -0.57 0.00 0.00 43.02 39.05 1d6q s PHE 3 CO 0.03 -1.72 0.41 -1.21 -0.10 0.00 0.00 175.22 172.63 1d6q s GLU 4 N -4.32 3.69 0.05 0.44 0.41 -1.26 -4.89 118.70 112.83 1d6q s GLU 4 Ca 0.65 0.05 -0.11 0.00 -0.41 0.00 0.00 54.97 55.15 1d6q s GLU 4 Cb -0.20 -2.87 -0.03 0.00 -1.78 0.00 0.00 34.13 29.26 1d6q s GLU 4 CO 0.46 0.48 1.20 -0.09 -0.49 0.00 0.00 175.26 176.81 1d6q h ARG 5 N 3.07 -0.04 0.00 1.61 2.43 -1.96 -0.48 114.38 119.02 1d6q h ARG 5 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1d6q h ARG 5 Cb 1.17 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1d6q h ARG 5 CO 0.70 -0.03 -0.14 0.00 -1.51 0.00 0.00 179.97 178.99 1d6q h GLU 7 N 0.00 0.83 -0.33 0.00 4.81 -1.77 -1.45 114.58 116.67 1d6q h GLU 7 Ca -0.00 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1d6q h GLU 7 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1d6q h GLU 7 CO 0.02 0.86 -0.10 1.25 -0.73 0.00 0.00 179.01 180.31 1d6q h LEU 8 N 0.70 0.66 -0.56 1.64 5.85 -0.23 -1.75 115.31 121.62 1d6q h LEU 8 Ca 0.14 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1d6q h LEU 8 Cb 0.47 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1d6q h LEU 8 CO 0.02 0.88 0.20 0.00 -0.34 0.00 0.00 178.44 179.21 1d6q h ALA 9 N 0.80 0.70 -0.11 1.25 0.00 -0.81 0.12 119.26 121.20 1d6q h ALA 9 Ca 0.08 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1d6q h ALA 9 Cb 0.60 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1d6q h ALA 9 CO 0.04 -0.20 -0.68 0.00 0.00 0.00 0.00 179.25 178.40 1d6q h ARG 10 N 0.38 0.48 -0.51 0.00 3.08 -1.24 -1.72 114.38 114.85 1d6q h ARG 10 Ca 0.27 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1d6q h ARG 10 Cb 0.32 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1d6q h ARG 10 CO -0.28 0.99 0.19 1.15 -1.07 0.00 0.00 179.97 180.94 1d6q h THR 11 N 0.34 1.22 -0.59 2.04 2.02 -0.44 -0.63 112.91 116.86 1d6q h THR 11 Ca -0.02 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 1d6q h THR 11 Cb 1.25 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1d6q h THR 11 CO 0.12 0.26 0.05 -0.07 0.37 0.00 0.00 175.52 176.25 1d6q h LEU 12 N 0.68 0.96 -0.39 2.58 3.38 -0.74 -2.27 115.31 119.52 1d6q h LEU 12 Ca 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1d6q h LEU 12 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1d6q h LEU 12 CO -0.01 0.99 0.13 0.50 0.09 0.00 0.00 178.44 180.14 1d6q h LYS 13 N 0.92 0.59 -0.74 1.13 1.63 -1.00 -2.24 116.57 116.87 1d6q h LYS 13 Ca 0.18 -0.12 0.10 0.00 -0.85 0.00 0.00 60.65 59.96 1d6q h LYS 13 Cb 0.47 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1d6q h LYS 13 CO 0.02 0.59 0.49 -0.09 -3.45 0.00 0.00 179.45 177.01 1d6q h ARG 14 N 0.48 0.61 -0.40 1.90 2.43 -0.82 -1.25 114.38 117.33 1d6q h ARG 14 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1d6q h ARG 14 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1d6q h ARG 14 CO -0.01 0.40 0.00 1.28 -1.51 0.00 0.00 179.97 180.14 1d6q n LEU 15 N -4.50 1.52 -1.63 3.80 4.77 -0.88 -4.92 117.00 115.17 1d6q n LEU 15 Ca 0.13 -0.77 -0.13 0.00 -0.03 0.00 0.00 56.01 55.21 1d6q n LEU 15 Cb 0.35 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1d6q n LEU 15 CO 0.33 0.32 -0.08 0.61 -1.33 0.00 0.00 177.39 177.23 1d6q n GLY 16 N 0.68 -0.08 0.07 -0.72 0.00 -0.47 -4.93 105.19 99.74 1d6q n GLY 16 Ca 0.08 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1d6q n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d6q n MET 17 N -2.42 0.40 -2.30 1.61 2.81 -0.90 -4.51 117.12 111.80 1d6q n MET 17 Ca -0.11 0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 1d6q n MET 17 Cb 0.59 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 1d6q n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1d6q s ASP 18 N -4.52 6.41 -0.00 7.83 2.15 -1.26 -2.65 116.67 124.63 1d6q s ASP 18 Ca 0.03 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.14 1d6q s ASP 18 Cb 0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1d6q s ASP 18 CO 0.77 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 1d6q n GLY 19 N 4.80 0.49 3.68 2.66 0.00 0.30 -4.89 105.19 112.23 1d6q n GLY 19 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1d6q n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d6q s TYR 20 N -2.00 2.53 -1.54 1.61 5.04 -1.06 -1.47 117.35 120.45 1d6q s TYR 20 Ca 0.00 0.50 -0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1d6q s TYR 20 Cb 0.00 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.48 1d6q s TYR 20 CO 0.00 -3.29 0.02 -2.13 -1.34 0.00 0.00 175.55 168.81 1d6q n ARG 21 N 5.75 -1.95 -1.06 4.97 0.00 -1.26 -0.71 116.66 122.40 1d6q n ARG 21 Ca 0.15 0.87 -0.02 0.00 -0.00 0.00 0.00 57.85 58.85 1d6q n ARG 21 Cb 0.42 -5.53 -0.01 0.00 0.00 0.00 0.00 32.46 27.35 1d6q n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1d6q n GLY 22 N -0.96 0.55 3.58 5.14 0.00 -0.54 -5.01 105.19 107.94 1d6q n GLY 22 Ca -0.21 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1d6q n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d6q s ILE 23 N -1.96 5.06 0.79 -0.61 1.01 0.11 -4.87 121.20 120.73 1d6q s ILE 23 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1d6q s ILE 23 Cb 0.00 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 39.16 1d6q s ILE 23 CO 0.00 0.32 1.13 -0.94 0.00 0.00 0.00 174.94 175.44 1d6q s SER 24 N 1.40 4.08 0.25 3.58 1.04 -1.26 0.11 113.70 122.90 1d6q s SER 24 Ca 0.07 2.04 -0.04 0.00 0.48 0.00 0.00 55.95 58.50 1d6q s SER 24 Cb -0.15 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.72 1d6q s SER 24 CO 0.07 -2.33 1.83 0.25 0.98 0.00 0.00 173.24 174.03 1d6q h LEU 25 N -1.04 0.95 -1.14 2.42 5.85 -1.90 -2.64 115.31 117.79 1d6q h LEU 25 Ca -0.44 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.17 1d6q h LEU 25 Cb 1.25 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1d6q h LEU 25 CO 0.49 0.85 0.58 0.00 -0.34 0.00 0.00 178.44 180.02 1d6q h ALA 26 N 1.29 1.44 -0.43 1.25 0.00 -1.92 0.24 119.26 121.14 1d6q h ALA 26 Ca 0.23 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1d6q h ALA 26 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1d6q h ALA 26 CO -0.02 0.47 -0.23 -0.91 0.00 0.00 0.00 179.25 178.56 1d6q h ASN 27 N 1.11 0.89 -0.35 0.00 2.35 -1.78 -0.42 115.58 117.37 1d6q h ASN 27 Ca 0.35 -0.33 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1d6q h ASN 27 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1d6q h ASN 27 CO -0.11 1.08 -0.24 -0.50 -1.65 0.00 0.00 177.43 176.01 1d6q h TRP 28 N 0.75 0.98 -0.32 1.19 4.06 -0.97 -2.31 115.95 119.33 1d6q h TRP 28 Ca 0.10 -0.24 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 1d6q h TRP 28 Cb 0.77 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1d6q h TRP 28 CO 0.04 1.00 0.03 0.52 -3.56 0.00 0.00 178.44 176.48 1d6q h MET 29 N 0.73 0.54 -0.59 0.49 2.86 -0.34 -2.10 114.93 116.52 1d6q h MET 29 Ca 0.09 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1d6q h MET 29 Cb 0.78 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1d6q h MET 29 CO 0.06 0.65 0.39 0.00 1.06 0.00 0.00 176.91 179.07 1d6q h LEU 31 N 0.80 0.80 -0.74 0.00 8.10 -1.31 -2.21 115.31 120.75 1d6q h LEU 31 Ca 0.22 -0.28 -0.08 0.00 0.11 0.00 0.00 57.88 57.85 1d6q h LEU 31 Cb -0.09 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 39.89 1d6q h LEU 31 CO -0.05 0.88 0.09 0.00 -4.11 0.00 0.00 178.44 175.25 1d6q h ALA 32 N 0.95 0.95 0.22 0.17 0.00 -1.30 -0.45 119.26 119.79 1d6q h ALA 32 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1d6q h ALA 32 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1d6q h ALA 32 CO 0.01 0.65 -0.29 -0.22 0.00 0.00 0.00 179.25 179.41 1d6q h LYS 33 N 0.98 -0.54 0.00 0.00 1.63 -1.25 -0.72 116.57 116.67 1d6q h LYS 33 Ca 0.19 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1d6q h LYS 33 Cb 0.44 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1d6q h LYS 33 CO 0.01 -0.36 0.00 -1.49 -3.45 0.00 0.00 179.45 174.16 1d6q h TRP 34 N -0.56 0.00 0.11 1.91 4.06 -1.32 0.21 115.95 120.36 1d6q h TRP 34 Ca 0.01 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.62 1d6q h TRP 34 Cb 0.54 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 1d6q h TRP 34 CO -0.21 0.00 -1.78 0.93 -3.56 0.00 0.00 178.44 173.81 1d6q h GLU 35 N 0.00 0.24 0.00 0.49 4.39 -0.99 -3.45 114.58 115.26 1d6q h GLU 35 Ca 0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1d6q h GLU 35 Cb 0.75 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1d6q h GLU 35 CO 0.00 1.08 0.00 -1.13 -1.16 0.00 0.00 179.01 177.80 1d6q n SER 36 N -3.42 0.00 -2.07 1.42 3.41 -0.31 -4.84 113.62 107.82 1d6q n SER 36 Ca -0.24 -0.47 -0.16 0.00 -0.26 0.00 0.00 58.87 57.74 1d6q n SER 36 Cb 1.05 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 1d6q n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d6q n GLY 37 N 0.00 -0.24 2.44 5.00 0.00 0.73 -2.28 105.19 110.84 1d6q n GLY 37 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1d6q n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1d6q n TYR 38 N -4.11 -0.11 -3.56 1.61 0.53 -1.19 -4.80 117.16 105.53 1d6q n TYR 38 Ca -0.13 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.37 1d6q n TYR 38 Cb 0.61 -2.83 -0.11 0.00 -1.03 0.00 0.00 39.34 35.98 1d6q n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1d6q s ASN 39 N -2.75 6.05 0.08 7.72 2.47 -0.96 -1.88 114.94 125.67 1d6q s ASN 39 Ca 0.00 0.01 0.19 0.00 0.42 0.00 0.00 52.86 53.47 1d6q s ASN 39 Cb 0.00 -2.13 0.77 0.00 -1.45 0.00 0.00 41.25 38.44 1d6q s ASN 39 CO 0.00 -0.08 1.58 0.35 -3.72 0.00 0.00 177.10 175.23 1d6q n THR 40 N 5.07 0.87 1.00 -5.21 -2.24 -0.48 -2.45 114.28 110.85 1d6q n THR 40 Ca -0.13 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1d6q n THR 40 Cb 0.52 -1.00 0.10 0.00 -2.10 0.00 0.00 70.33 67.84 1d6q n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1d6q n ARG 41 N -1.75 2.24 -1.71 -0.78 1.74 -1.26 -4.05 116.66 111.09 1d6q n ARG 41 Ca 0.03 -1.85 -0.42 0.00 -0.77 0.00 0.00 57.85 54.84 1d6q n ARG 41 Cb 0.21 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1d6q n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d6q n ALA 42 N 1.24 2.69 -3.67 7.54 0.00 -1.03 -4.78 120.51 122.50 1d6q n ALA 42 Ca 0.14 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.82 1d6q n ALA 42 Cb 0.59 -2.52 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 1d6q n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d6q s THR 43 N 1.28 0.06 -0.18 0.00 2.01 -1.26 -0.83 115.64 116.73 1d6q s THR 43 Ca 0.76 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1d6q s THR 43 Cb -0.52 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 71.88 1d6q s THR 43 CO 0.33 0.11 0.03 0.20 -0.69 0.00 0.00 174.62 174.60 1d6q s ASN 44 N 0.95 2.80 0.06 3.53 -0.87 -0.29 -4.97 114.94 116.14 1d6q s ASN 44 Ca -0.09 -0.76 -0.23 0.00 -1.57 0.00 0.00 52.86 50.21 1d6q s ASN 44 Cb -0.12 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.25 40.45 1d6q s ASN 44 CO -0.02 -0.29 0.71 -0.47 -2.57 0.00 0.00 177.10 174.46 1d6q s TYR 45 N 1.85 3.76 -0.46 2.20 6.04 -1.26 -0.35 117.35 129.14 1d6q s TYR 45 Ca -0.00 1.42 -0.07 0.00 0.04 0.00 0.00 57.07 58.45 1d6q s TYR 45 Cb -0.17 -2.73 0.12 0.00 -1.04 0.00 0.00 41.96 38.14 1d6q s TYR 45 CO -0.08 0.36 0.31 1.21 -1.54 0.00 0.00 175.55 175.81 1d6q s ASN 46 N -0.36 5.58 0.57 4.32 3.84 0.10 -4.92 114.94 124.07 1d6q s ASN 46 Ca 0.35 -1.97 0.33 0.00 0.21 0.00 0.00 52.86 51.79 1d6q s ASN 46 Cb -0.20 -1.96 1.75 0.00 -0.55 0.00 0.00 41.25 40.28 1d6q s ASN 46 CO 0.22 -0.65 2.17 0.00 -2.79 0.00 0.00 177.10 176.04 1d6q h ALA 47 N 8.32 1.21 0.06 1.71 0.00 -1.96 0.19 119.26 128.78 1d6q h ALA 47 Ca -0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1d6q h ALA 47 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1d6q h ALA 47 CO 0.81 0.07 -0.03 0.78 0.00 0.00 0.00 179.25 180.88 1d6q h GLY 48 N 0.67 -0.08 -1.60 0.00 0.00 -1.94 -3.32 103.07 96.80 1d6q h GLY 48 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1d6q h GLY 48 CO 0.01 -0.03 0.00 2.09 0.00 0.00 0.00 176.54 178.61 1d6q n ASP 49 N -4.94 3.43 -3.81 0.19 5.68 -1.11 -4.99 116.55 111.00 1d6q n ASP 49 Ca -0.08 -2.33 -0.29 0.00 -0.50 0.00 0.00 54.79 51.58 1d6q n ASP 49 Cb 0.22 -0.37 0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1d6q n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1d6q n ARG 50 N 0.33 -5.20 -4.35 0.11 1.74 0.64 -4.84 116.66 105.09 1d6q n ARG 50 Ca 0.16 0.60 -0.19 0.00 -0.77 0.00 0.00 57.85 57.65 1d6q n ARG 50 Cb 0.61 -5.47 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 1d6q n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1d6q s SER 51 N -3.19 2.61 0.03 0.55 1.04 -1.11 -4.52 113.70 109.10 1d6q s SER 51 Ca 0.62 -1.01 0.06 0.00 0.48 0.00 0.00 55.95 56.10 1d6q s SER 51 Cb -0.31 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 1d6q s SER 51 CO 0.77 -0.15 -0.17 -0.89 0.98 0.00 0.00 173.24 173.77 1d6q s THR 52 N -2.89 1.33 -0.17 2.02 2.01 -1.26 0.01 115.64 116.69 1d6q s THR 52 Ca 0.22 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1d6q s THR 52 Cb -0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1d6q s THR 52 CO 0.07 0.12 0.11 -1.81 -0.69 0.00 0.00 174.62 172.42 1d6q s ASP 53 N -1.06 6.07 0.08 3.53 -0.00 0.53 -1.07 116.67 124.75 1d6q s ASP 53 Ca 0.04 0.25 0.09 0.00 -0.00 0.00 0.00 52.55 52.93 1d6q s ASP 53 Cb -0.08 -2.03 -0.03 0.00 -0.00 0.00 0.00 42.92 40.78 1d6q s ASP 53 CO 0.01 0.24 -0.22 -0.31 -0.00 0.00 0.00 175.17 174.89 1d6q s TYR 54 N -0.01 2.44 0.06 4.23 2.02 0.73 -1.14 117.35 125.68 1d6q s TYR 54 Ca 0.09 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1d6q s TYR 54 Cb -0.12 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1d6q s TYR 54 CO 0.00 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1d6q n GLY 55 N 1.28 -1.64 0.36 0.71 0.00 -0.01 -0.93 105.19 104.97 1d6q n GLY 55 Ca -0.17 -1.23 0.18 0.00 0.00 0.00 0.00 46.02 44.81 1d6q n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1d6q h ILE 56 N -0.25 0.33 -0.02 -0.61 2.10 -1.68 0.01 117.51 117.39 1d6q h ILE 56 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 1d6q h ILE 56 Cb 0.25 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1d6q h ILE 56 CO 0.00 0.00 -0.07 0.49 -1.08 0.00 0.00 178.15 177.50 1d6q n PHE 57 N -3.58 0.00 -3.71 2.19 0.99 -1.26 -4.11 117.46 107.98 1d6q n PHE 57 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.19 1d6q n PHE 57 Cb 0.44 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.95 1d6q n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1d6q n GLN 58 N 0.62 -1.87 -2.92 -1.08 1.13 -0.01 -4.93 117.38 108.32 1d6q n GLN 58 Ca 0.08 0.48 -0.36 0.00 -1.94 0.00 0.00 57.00 55.26 1d6q n GLN 58 Cb 0.36 -4.33 -0.06 0.00 0.11 0.00 0.00 30.24 26.32 1d6q n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1d6q s ILE 59 N -3.55 4.39 0.04 5.09 1.01 -0.10 -4.40 121.20 123.68 1d6q s ILE 59 Ca 0.37 1.52 -0.25 0.00 0.00 0.00 0.00 60.65 62.29 1d6q s ILE 59 Cb -0.13 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1d6q s ILE 59 CO 0.86 0.05 0.75 0.21 0.00 0.00 0.00 174.94 176.81 1d6q s ASN 60 N -1.79 7.19 0.10 3.58 3.84 -1.26 -0.19 114.94 126.41 1d6q s ASN 60 Ca 0.50 1.42 0.21 0.00 0.21 0.00 0.00 52.86 55.20 1d6q s ASN 60 Cb -0.16 -2.46 0.84 0.00 -0.55 0.00 0.00 41.25 38.93 1d6q s ASN 60 CO 0.20 0.02 1.64 -1.54 -2.79 0.00 0.00 177.10 174.63 1d6q n SER 61 N 2.83 0.29 0.07 -4.21 3.41 -0.23 -1.05 113.62 114.74 1d6q n SER 61 Ca -0.03 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 1d6q n SER 61 Cb 0.50 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1d6q n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1d6q h ARG 62 N 0.00 0.18 0.00 4.33 2.43 -1.84 -3.42 114.38 116.07 1d6q h ARG 62 Ca 0.00 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 1d6q h ARG 62 Cb 0.37 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1d6q h ARG 62 CO 0.00 1.09 -1.45 0.66 -1.51 0.00 0.00 179.97 178.76 1d6q n TYR 63 N -3.44 0.00 -0.06 2.20 4.02 -1.14 -0.45 117.16 118.28 1d6q n TYR 63 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.70 1d6q n TYR 63 Cb 1.01 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.96 1d6q n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1d6q n TRP 64 N -2.41 0.00 -4.35 -0.72 7.02 -0.21 -0.99 117.44 115.78 1d6q n TRP 64 Ca -0.12 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.16 1d6q n TRP 64 Cb 0.69 -0.49 -0.10 0.00 -2.42 0.00 0.00 31.31 28.99 1d6q n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1d6q s ASN 66 N -3.15 4.79 -0.04 0.00 2.47 -0.48 -4.37 114.94 114.16 1d6q s ASN 66 Ca 0.21 -0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.41 1d6q s ASN 66 Cb -0.03 -1.79 0.10 0.00 -1.45 0.00 0.00 41.25 38.08 1d6q s ASN 66 CO 0.08 0.15 1.03 -0.90 -3.72 0.00 0.00 177.10 173.74 1d6q n ASP 67 N 3.69 2.02 0.00 -4.21 5.68 -1.26 -1.29 116.55 121.18 1d6q n ASP 67 Ca -0.17 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 1d6q n ASP 67 Cb 0.52 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1d6q n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d6q n GLY 68 N -0.79 0.31 0.14 6.12 0.00 -1.26 -4.73 105.19 104.98 1d6q n GLY 68 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1d6q n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1d6q n LYS 69 N -2.00 1.26 -3.86 1.61 2.85 -1.26 -5.02 118.16 111.74 1d6q n LYS 69 Ca 0.00 -1.70 -0.36 0.00 -1.05 0.00 0.00 58.31 55.21 1d6q n LYS 69 Cb 0.00 -1.03 -0.13 0.00 -0.65 0.00 0.00 35.03 33.22 1d6q n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1d6q s THR 70 N -1.41 3.50 0.20 0.58 2.01 -1.26 -4.95 115.64 114.31 1d6q s THR 70 Ca 0.13 -0.69 -0.32 0.00 0.31 0.00 0.00 61.69 61.11 1d6q s THR 70 Cb 0.11 -2.73 -0.12 0.00 0.01 0.00 0.00 72.50 69.77 1d6q s THR 70 CO 0.01 0.23 1.72 -2.65 -0.69 0.00 0.00 174.62 173.25 1d6q n PRO 71 N 4.79 2.72 -1.13 4.92 -0.02 -1.26 -2.81 135.00 142.21 1d6q n PRO 71 Ca -0.16 0.98 -0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1d6q n PRO 71 Cb 0.49 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 1d6q n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d6q n GLY 72 N 3.94 0.72 3.76 -1.23 0.00 -1.26 -4.94 105.19 106.18 1d6q n GLY 72 Ca 0.16 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1d6q n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d6q s ALA 73 N -2.07 3.02 -0.10 4.61 0.00 -1.12 -4.84 121.76 121.25 1d6q s ALA 73 Ca 0.00 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.24 1d6q s ALA 73 Cb 0.00 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 1d6q s ALA 73 CO 0.00 -0.99 0.02 0.28 0.00 0.00 0.00 175.76 175.07 1d6q n VAL 74 N -0.47 0.69 -3.42 0.00 0.31 0.40 -4.98 118.33 110.86 1d6q n VAL 74 Ca 0.07 -0.42 -0.17 0.00 -0.01 0.00 0.00 64.34 63.81 1d6q n VAL 74 Cb 0.45 -0.75 0.09 0.00 -0.91 0.00 0.00 33.84 32.72 1d6q n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1d6q n ASN 75 N -2.41 -2.39 0.30 4.52 2.85 -1.17 -4.90 115.26 112.07 1d6q n ASN 75 Ca -0.17 -0.60 0.19 0.00 -0.11 0.00 0.00 54.58 53.88 1d6q n ASN 75 Cb 0.82 -5.05 0.95 0.00 1.24 0.00 0.00 39.78 37.74 1d6q n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1d6q h ALA 76 N 0.89 1.10 0.00 5.20 0.00 -1.05 -1.21 119.26 124.20 1d6q h ALA 76 Ca -0.58 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1d6q h ALA 76 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1d6q h ALA 76 CO 0.50 0.04 -0.49 0.00 0.00 0.00 0.00 179.25 179.29 1d6q n HIS 78 N -1.69 -2.28 -4.01 0.00 -0.00 -0.46 -4.97 115.22 101.81 1d6q n HIS 78 Ca 0.05 0.91 -0.09 0.00 -0.00 0.00 0.00 57.72 58.59 1d6q n HIS 78 Cb 0.37 -4.73 -0.09 0.00 -0.00 0.00 0.00 29.99 25.55 1d6q n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1d6q s LEU 79 N -5.99 1.66 0.20 2.41 1.43 -1.26 -5.06 118.68 112.07 1d6q s LEU 79 Ca 0.17 -0.93 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 1d6q s LEU 79 Cb -0.02 0.68 -0.08 0.00 0.03 0.00 0.00 46.19 46.80 1d6q s LEU 79 CO 0.73 -0.74 0.78 -0.55 0.23 0.00 0.00 176.35 176.80 1d6q s SER 80 N -2.95 7.29 0.53 2.29 0.15 -1.26 -1.38 113.70 118.37 1d6q s SER 80 Ca 0.13 1.60 0.18 0.00 0.70 0.00 0.00 55.95 58.57 1d6q s SER 80 Cb 0.06 -2.49 1.33 0.00 -1.71 0.00 0.00 66.02 63.21 1d6q s SER 80 CO -0.05 0.13 2.14 0.00 1.20 0.00 0.00 173.24 176.66 1d6q h SER 82 N 0.00 0.00 0.36 0.00 4.64 -1.92 0.99 113.55 117.63 1d6q h SER 82 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1d6q h SER 82 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1d6q h SER 82 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1d6q h ALA 83 N 1.96 1.09 -0.10 5.18 0.00 -1.41 -1.30 119.26 124.68 1d6q h ALA 83 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d6q h ALA 83 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d6q h ALA 83 CO -0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1d6q n LEU 84 N -3.24 1.40 -0.50 0.00 4.77 0.34 -3.66 117.00 116.12 1d6q n LEU 84 Ca -0.02 -0.55 0.04 0.00 -0.03 0.00 0.00 56.01 55.45 1d6q n LEU 84 Cb 0.17 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1d6q n LEU 84 CO 0.24 0.28 0.60 0.18 -1.33 0.00 0.00 177.39 177.36 1d6q n LEU 85 N 0.13 2.74 -4.87 2.23 4.77 -0.49 -3.38 117.00 118.13 1d6q n LEU 85 Ca 0.17 -2.02 -0.30 0.00 -0.03 0.00 0.00 56.01 53.84 1d6q n LEU 85 Cb 0.30 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1d6q n LEU 85 CO 0.14 0.68 0.75 -1.10 -1.33 0.00 0.00 177.39 176.53 1d6q s GLN 86 N -1.03 2.41 0.27 3.23 -1.52 -1.24 -4.68 119.66 117.11 1d6q s GLN 86 Ca 0.18 0.41 0.15 0.00 -1.95 0.00 0.00 55.36 54.15 1d6q s GLN 86 Cb 0.10 -1.98 0.09 0.00 -0.22 0.00 0.00 33.01 31.00 1d6q s GLN 86 CO 0.12 -1.34 1.45 -0.44 -0.25 0.00 0.00 175.29 174.84 1d6q h ASP 87 N -0.88 0.00 -3.35 5.90 5.19 -1.93 -3.43 116.42 117.93 1d6q h ASP 87 Ca -0.46 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.36 1d6q h ASP 87 Cb 1.28 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.70 1d6q h ASP 87 CO 0.63 0.53 0.31 0.21 -3.12 0.00 0.00 179.24 177.80 1d6q s ASN 88 N -6.48 6.80 -0.07 6.45 2.47 -1.26 -4.92 114.94 117.93 1d6q s ASN 88 Ca 0.03 0.98 0.15 0.00 0.42 0.00 0.00 52.86 54.45 1d6q s ASN 88 Cb 0.08 -2.41 0.56 0.00 -1.45 0.00 0.00 41.25 38.04 1d6q s ASN 88 CO 0.75 -0.39 1.45 2.30 -3.72 0.00 0.00 177.10 177.49 1d6q n ILE 89 N 4.92 1.29 -0.24 -5.21 -5.35 -1.26 -4.41 119.36 109.11 1d6q n ILE 89 Ca 0.02 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1d6q n ILE 89 Cb 0.49 0.13 0.12 0.00 -1.74 0.00 0.00 39.64 38.64 1d6q n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d6q h ALA 90 N 3.90 0.93 -0.06 -1.28 0.00 -1.95 0.59 119.26 121.39 1d6q h ALA 90 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1d6q h ALA 90 Cb 1.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1d6q h ALA 90 CO 0.14 -0.01 0.01 -0.44 0.00 0.00 0.00 179.25 178.95 1d6q h ASP 91 N 0.63 0.10 -0.86 0.00 3.45 -1.87 -0.14 116.42 117.73 1d6q h ASP 91 Ca 0.33 -0.25 0.09 0.00 0.43 0.00 0.00 57.03 57.63 1d6q h ASP 91 Cb 0.29 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 38.98 1d6q h ASP 91 CO -0.23 0.32 0.56 0.00 -1.57 0.00 0.00 179.24 178.32 1d6q h ALA 92 N 0.78 1.66 -0.20 3.45 0.00 -1.72 -0.58 119.26 122.65 1d6q h ALA 92 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1d6q h ALA 92 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1d6q h ALA 92 CO 0.00 0.18 -0.24 0.28 0.00 0.00 0.00 179.25 179.46 1d6q h VAL 93 N 0.86 1.33 -0.27 0.00 2.07 -0.65 0.12 116.25 119.71 1d6q h VAL 93 Ca 0.39 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1d6q h VAL 93 Cb 0.38 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1d6q h VAL 93 CO -0.16 0.44 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1d6q h ALA 94 N 0.63 1.51 -0.01 1.67 0.00 -0.41 -2.07 119.26 120.58 1d6q h ALA 94 Ca 0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1d6q h ALA 94 Cb 0.81 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1d6q h ALA 94 CO 0.06 0.35 -0.95 0.00 0.00 0.00 0.00 179.25 178.71 1d6q h ALA 96 N 0.66 1.52 -0.31 0.00 0.00 -0.68 -0.31 119.26 120.15 1d6q h ALA 96 Ca -0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1d6q h ALA 96 Cb 1.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1d6q h ALA 96 CO 0.17 0.34 -0.34 0.87 0.00 0.00 0.00 179.25 180.30 1d6q h LYS 97 N 0.30 0.69 -0.40 0.00 1.57 -1.34 -2.46 116.57 114.93 1d6q h LYS 97 Ca 0.07 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1d6q h LYS 97 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1d6q h LYS 97 CO 0.01 0.93 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.63 1d6q h ARG 98 N 0.58 0.78 -0.47 3.15 9.65 -1.14 -3.14 114.38 123.80 1d6q h ARG 98 Ca 0.06 -0.30 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 1d6q h ARG 98 Cb 0.86 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 1d6q h ARG 98 CO 0.07 0.91 0.25 0.28 2.80 0.00 0.00 179.97 184.29 1d6q h VAL 99 N 0.60 1.00 0.00 0.20 2.07 -0.92 -2.33 116.25 116.87 1d6q h VAL 99 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1d6q h VAL 99 Cb 0.63 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1d6q h VAL 99 CO 0.04 0.09 0.00 1.33 0.02 0.00 0.00 177.57 179.05 1d6q n VAL 100 N -4.87 1.14 1.81 2.57 0.24 -0.94 -2.39 118.33 115.88 1d6q n VAL 100 Ca 0.03 0.28 0.06 0.00 -2.04 0.00 0.00 64.34 62.67 1d6q n VAL 100 Cb 0.10 -1.07 0.35 0.00 -1.47 0.00 0.00 33.84 31.75 1d6q n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1d6q n ARG 101 N -1.49 0.90 -2.46 7.34 1.74 -0.87 -3.97 116.66 117.84 1d6q n ARG 101 Ca 0.03 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.84 1d6q n ARG 101 Cb 0.14 -1.21 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1d6q n ARG 101 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d6q s GLU 102 N -2.00 3.11 0.34 5.56 0.41 -1.01 -4.97 118.70 120.15 1d6q s GLU 102 Ca 0.18 0.05 0.07 0.00 -0.41 0.00 0.00 54.97 54.86 1d6q s GLU 102 Cb 0.08 -2.30 0.75 0.00 -1.78 0.00 0.00 34.13 30.88 1d6q s GLU 102 CO 0.14 -0.55 1.87 -1.35 -0.49 0.00 0.00 175.26 174.88 1d6q h PRO 103 N -0.05 0.75 0.00 0.39 0.11 -1.90 -1.06 132.00 130.24 1d6q h PRO 103 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1d6q h PRO 103 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1d6q h PRO 103 CO 0.61 0.50 -0.12 0.00 -0.21 0.00 0.00 178.00 178.78 1d6q n GLN 104 N -4.57 0.05 0.00 1.05 10.64 -1.26 -4.98 117.38 118.32 1d6q n GLN 104 Ca 0.17 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1d6q n GLN 104 Cb 0.42 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 1d6q n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1d6q n GLY 105 N 1.46 3.19 0.00 2.61 0.00 -0.40 -1.99 105.19 110.06 1d6q n GLY 105 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1d6q n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1d6q n ILE 106 N 0.00 1.27 0.60 -0.61 3.06 -1.26 -2.49 119.36 119.93 1d6q n ILE 106 Ca 0.00 0.32 0.07 0.00 -2.50 0.00 0.00 62.75 60.64 1d6q n ILE 106 Cb 0.00 -1.17 0.34 0.00 0.54 0.00 0.00 39.64 39.35 1d6q n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1d6q n ARG 107 N -1.46 0.13 0.30 9.51 3.00 -0.84 -2.60 116.66 124.70 1d6q n ARG 107 Ca 0.03 0.19 0.19 0.00 -0.01 0.00 0.00 57.85 58.25 1d6q n ARG 107 Cb 0.10 -1.50 0.88 0.00 0.00 0.00 0.00 32.46 31.94 1d6q n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d6q h ALA 108 N 2.60 1.00 -2.69 7.54 0.00 -1.70 -3.36 119.26 122.65 1d6q h ALA 108 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1d6q h ALA 108 Cb 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.66 1d6q h ALA 108 CO 0.00 0.00 -0.41 -1.58 0.00 0.00 0.00 179.25 177.26 1d6q s TRP 109 N -3.84 3.44 0.50 0.00 0.51 -1.07 -4.95 118.94 113.53 1d6q s TRP 109 Ca -0.01 -1.91 0.27 0.00 -2.12 0.00 0.00 56.10 52.33 1d6q s TRP 109 Cb 0.10 -3.46 1.58 0.00 -0.81 0.00 0.00 33.47 30.89 1d6q s TRP 109 CO 0.48 -0.99 2.15 -0.39 -0.51 0.00 0.00 176.95 177.70 1d6q h VAL 110 N 6.15 0.61 0.00 4.03 -1.51 -1.87 -0.59 116.25 123.08 1d6q h VAL 110 Ca -0.20 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1d6q h VAL 110 Cb 1.07 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1d6q h VAL 110 CO 0.84 0.06 -0.07 0.00 -1.23 0.00 0.00 177.57 177.18 1d6q h ALA 111 N 1.93 1.12 -0.02 5.19 0.00 -1.93 0.12 119.26 125.67 1d6q h ALA 111 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1d6q h ALA 111 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d6q h ALA 111 CO 0.01 0.09 -0.13 2.35 0.00 0.00 0.00 179.25 181.57 1d6q h TRP 112 N 0.00 0.18 -0.62 0.00 7.01 -1.43 -1.83 115.95 119.25 1d6q h TRP 112 Ca -0.00 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 60.93 1d6q h TRP 112 Cb 0.35 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1d6q h TRP 112 CO 0.00 0.78 0.41 0.00 -2.79 0.00 0.00 178.44 176.84 1d6q h ARG 113 N -0.48 0.80 -0.16 2.65 3.08 -1.20 0.80 114.38 119.88 1d6q h ARG 113 Ca -0.01 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 1d6q h ARG 113 Cb 0.79 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1d6q h ARG 113 CO 0.03 0.53 -0.60 -0.91 -1.07 0.00 0.00 179.97 177.95 1d6q h ASN 114 N 0.83 0.60 -0.00 7.04 2.35 -0.86 -3.36 115.58 122.18 1d6q h ASN 114 Ca 0.23 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1d6q h ASN 114 Cb -0.08 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1d6q h ASN 114 CO -0.06 1.06 -0.04 0.54 -1.65 0.00 0.00 177.43 177.29 1d6q n ARG 115 N -3.93 3.56 0.00 0.81 1.74 -0.69 -4.85 116.66 113.30 1d6q n ARG 115 Ca -0.04 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1d6q n ARG 115 Cb 0.64 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 1d6q n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d6q n GLN 117 N -2.54 2.67 -2.90 0.00 7.27 -0.31 -2.52 117.38 119.06 1d6q n GLN 117 Ca 0.00 0.97 -0.16 0.00 0.07 0.00 0.00 57.00 57.87 1d6q n GLN 117 Cb 0.43 -2.82 0.03 0.00 2.41 0.00 0.00 30.24 30.29 1d6q n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1d6q n ASN 118 N 4.47 -4.92 -4.21 1.69 3.02 -1.26 -4.95 115.26 109.10 1d6q n ASN 118 Ca 0.17 -0.24 -0.12 0.00 -0.03 0.00 0.00 54.58 54.35 1d6q n ASN 118 Cb 0.34 -3.72 -0.10 0.00 -0.61 0.00 0.00 39.78 35.69 1d6q n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1d6q s ARG 119 N -5.48 1.20 -0.39 3.52 0.52 -1.05 -5.11 118.95 112.16 1d6q s ARG 119 Ca 0.26 -1.63 -0.24 0.00 -0.52 0.00 0.00 55.73 53.60 1d6q s ARG 119 Cb -0.11 0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.55 1d6q s ARG 119 CO 0.32 -0.36 0.83 0.34 0.02 0.00 0.00 175.30 176.45 1d6q s ASP 120 N -3.17 6.55 0.00 0.23 -1.08 -1.26 -4.89 116.67 113.05 1d6q s ASP 120 Ca 0.37 0.29 0.13 0.00 -0.52 0.00 0.00 52.55 52.82 1d6q s ASP 120 Cb 0.07 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.40 1d6q s ASP 120 CO 0.11 -0.82 1.18 1.33 0.52 0.00 0.00 175.17 177.48 1d6q n VAL 121 N 5.96 0.70 0.30 1.11 0.24 -1.26 -4.55 118.33 120.83 1d6q n VAL 121 Ca 0.04 -0.85 0.15 0.00 -2.04 0.00 0.00 64.34 61.64 1d6q n VAL 121 Cb 0.48 0.73 0.69 0.00 -1.47 0.00 0.00 33.84 34.28 1d6q n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1d6q h ARG 122 N 2.41 0.00 0.00 7.34 2.47 -1.91 -2.01 114.38 122.67 1d6q h ARG 122 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1d6q h ARG 122 Cb 0.70 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1d6q h ARG 122 CO 0.00 0.00 -0.16 -0.56 0.56 0.00 0.00 179.97 179.81 1d6q h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.97 -2.76 115.11 113.50 1d6q h GLN 123 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1d6q h GLN 123 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 1d6q h GLN 123 CO 0.00 0.16 -0.11 1.88 0.09 0.00 0.00 178.83 180.84 1d6q h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.68 -3.14 116.97 112.26 1d6q h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1d6q h TYR 124 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1d6q h TYR 124 CO 0.00 0.11 0.00 1.33 -1.05 0.00 0.00 178.16 178.55 1d6q n VAL 125 N -3.34 0.55 -2.27 -2.88 0.24 -1.15 -4.82 118.33 104.67 1d6q n VAL 125 Ca -0.00 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.11 1d6q n VAL 125 Cb 0.32 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 1d6q n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1d6q s GLN 126 N -0.55 4.34 0.00 7.34 2.00 -1.05 -2.56 119.66 129.18 1d6q s GLN 126 Ca 0.00 1.94 0.00 0.00 -2.00 0.00 0.00 55.36 55.30 1d6q s GLN 126 Cb 0.00 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.41 1d6q s GLN 126 CO 0.00 -0.44 0.00 0.41 -0.50 0.00 0.00 175.29 174.76 1d6q n GLY 127 N 3.47 0.94 0.12 2.59 0.00 -1.26 -4.92 105.19 106.13 1d6q n GLY 127 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1d6q n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d6q n GLY 129 N 1.34 -0.03 0.08 0.00 0.00 -1.26 -4.82 105.19 100.49 1d6q n GLY 129 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1d6q n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65