#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdx s VAL 2 N 0.00 3.92 0.52 3.15 1.01 -1.26 -0.52 120.40 127.23 1gdx s VAL 2 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.46 1gdx s VAL 2 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1gdx s VAL 2 CO 0.00 -0.35 1.12 -0.36 0.00 0.00 0.00 175.10 175.50 1gdx s PHE 3 N 1.39 2.75 0.38 5.22 0.08 -0.15 -4.99 117.98 122.67 1gdx s PHE 3 Ca 0.01 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1gdx s PHE 3 Cb -0.21 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.92 1gdx s PHE 3 CO 0.02 -1.43 0.73 -1.21 -0.10 0.00 0.00 175.22 173.23 1gdx s GLU 4 N -3.21 3.74 0.06 0.44 2.02 -1.26 -4.83 118.70 115.66 1gdx s GLU 4 Ca 0.71 0.37 -0.15 0.00 0.02 0.00 0.00 54.97 55.92 1gdx s GLU 4 Cb -0.23 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 1gdx s GLU 4 CO 0.26 0.01 1.25 -0.09 0.02 0.00 0.00 175.26 176.71 1gdx h ARG 5 N 1.30 -0.20 -0.07 1.61 2.43 -1.96 -1.31 114.38 116.18 1gdx h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1gdx h ARG 5 Cb 1.19 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1gdx h ARG 5 CO 0.64 -0.13 -0.23 0.00 -1.51 0.00 0.00 179.97 178.74 1gdx h GLU 7 N 0.12 0.31 -0.42 0.00 4.81 -1.88 -1.50 114.58 116.00 1gdx h GLU 7 Ca 0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1gdx h GLU 7 Cb 0.47 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1gdx h GLU 7 CO 0.03 0.20 0.01 1.25 -0.73 0.00 0.00 179.01 179.77 1gdx h LEU 8 N 0.31 0.73 -0.84 1.64 5.85 -0.51 -1.92 115.31 120.57 1gdx h LEU 8 Ca 0.11 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1gdx h LEU 8 Cb 0.01 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 1gdx h LEU 8 CO -0.06 0.85 0.47 0.00 -0.34 0.00 0.00 178.44 179.37 1gdx h ALA 9 N 0.90 1.22 -0.07 1.25 0.00 -0.77 0.19 119.26 121.98 1gdx h ALA 9 Ca 0.12 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1gdx h ALA 9 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1gdx h ALA 9 CO 0.02 0.07 -0.78 0.00 0.00 0.00 0.00 179.25 178.56 1gdx h ARG 10 N 0.77 0.45 -0.32 0.00 3.08 -1.19 -1.82 114.38 115.34 1gdx h ARG 10 Ca 0.42 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1gdx h ARG 10 Cb 0.43 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1gdx h ARG 10 CO -0.27 1.03 0.16 1.15 -1.07 0.00 0.00 179.97 180.97 1gdx h THR 11 N 0.30 1.15 -0.54 2.04 2.02 -0.40 -0.93 112.91 116.55 1gdx h THR 11 Ca -0.04 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1gdx h THR 11 Cb 1.37 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1gdx h THR 11 CO 0.14 0.15 -0.01 -0.07 0.37 0.00 0.00 175.52 176.10 1gdx h LEU 12 N 0.39 0.89 -0.53 2.58 3.38 -0.65 -2.19 115.31 119.19 1gdx h LEU 12 Ca 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1gdx h LEU 12 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1gdx h LEU 12 CO -0.02 0.95 0.22 0.50 0.09 0.00 0.00 178.44 180.19 1gdx h LYS 13 N 0.85 0.78 0.00 1.13 3.64 -0.93 -2.05 116.57 119.98 1gdx h LYS 13 Ca 0.16 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1gdx h LYS 13 Cb 0.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1gdx h LYS 13 CO 0.03 0.68 -0.24 0.00 -2.27 0.00 0.00 179.45 177.64 1gdx h ARG 14 N 0.71 0.00 -0.04 1.90 3.08 -0.97 -2.07 114.38 116.98 1gdx h ARG 14 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1gdx h ARG 14 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1gdx h ARG 14 CO -0.02 0.24 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 1gdx n LEU 15 N -4.02 0.43 0.00 3.04 4.77 -0.84 -4.90 117.00 115.48 1gdx n LEU 15 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1gdx n LEU 15 Cb 0.31 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1gdx n LEU 15 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1gdx n GLY 16 N 0.86 0.48 0.15 -0.72 0.00 -0.78 -4.98 105.19 100.21 1gdx n GLY 16 Ca 0.14 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1gdx n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gdx h MET 17 N 0.00 0.00 -6.03 1.61 2.86 -1.56 -3.40 114.93 108.41 1gdx h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1gdx h MET 17 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1gdx h MET 17 CO 0.00 0.00 1.40 0.34 1.06 0.00 0.00 176.91 179.71 1gdx s ASP 18 N -5.55 5.38 0.00 1.22 2.15 -1.26 -1.88 116.67 116.74 1gdx s ASP 18 Ca 0.04 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1gdx s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1gdx s ASP 18 CO 0.73 -2.14 0.00 0.61 -0.17 0.00 0.00 175.17 174.20 1gdx n GLY 19 N 5.66 0.64 3.68 2.66 0.00 0.32 -4.93 105.19 113.22 1gdx n GLY 19 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1gdx n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gdx n TYR 20 N -2.70 2.57 -3.28 1.61 9.36 -0.79 -0.82 117.16 123.11 1gdx n TYR 20 Ca 0.00 -0.19 -0.24 0.00 3.32 0.00 0.00 57.90 60.79 1gdx n TYR 20 Cb 0.00 -2.74 0.02 0.00 -0.63 0.00 0.00 39.34 35.98 1gdx n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1gdx n ALA 21 N 6.13 -1.06 -1.02 2.98 0.00 -1.26 -1.18 120.51 125.11 1gdx n ALA 21 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1gdx n ALA 21 Cb 0.38 -3.48 -0.00 0.00 0.00 0.00 0.00 19.45 16.34 1gdx n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gdx n GLY 22 N -1.39 0.39 3.58 0.00 0.00 -0.00 -4.98 105.19 102.79 1gdx n GLY 22 Ca -0.05 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1gdx n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gdx s ILE 23 N -1.73 5.30 0.81 -0.61 1.01 -0.33 -4.90 121.20 120.74 1gdx s ILE 23 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 1gdx s ILE 23 Cb 0.00 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.97 1gdx s ILE 23 CO 0.00 0.19 1.10 -0.94 0.00 0.00 0.00 174.94 175.29 1gdx s SER 24 N 1.75 4.15 0.27 3.58 1.04 -1.26 -0.52 113.70 122.70 1gdx s SER 24 Ca 0.07 1.84 -0.03 0.00 0.48 0.00 0.00 55.95 58.32 1gdx s SER 24 Cb -0.16 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 63.83 1gdx s SER 24 CO 0.11 -2.27 1.85 0.25 0.98 0.00 0.00 173.24 174.16 1gdx h LEU 25 N -1.29 0.88 -1.31 2.42 5.85 -1.92 -2.19 115.31 117.75 1gdx h LEU 25 Ca -0.44 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1gdx h LEU 25 Cb 1.24 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1gdx h LEU 25 CO 0.50 0.79 0.47 0.00 -0.34 0.00 0.00 178.44 179.86 1gdx h ALA 26 N 1.34 1.53 -0.40 1.25 0.00 -1.92 -0.35 119.26 120.71 1gdx h ALA 26 Ca 0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1gdx h ALA 26 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gdx h ALA 26 CO -0.02 0.42 -0.08 -0.91 0.00 0.00 0.00 179.25 178.66 1gdx h ASN 27 N 0.93 0.77 -0.58 0.00 2.35 -1.72 -0.53 115.58 116.80 1gdx h ASN 27 Ca 0.27 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1gdx h ASN 27 Cb -0.05 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1gdx h ASN 27 CO -0.07 0.95 0.14 -0.50 -1.65 0.00 0.00 177.43 176.30 1gdx h TRP 28 N 0.59 1.01 -0.37 1.19 4.06 -1.08 -0.72 115.95 120.63 1gdx h TRP 28 Ca 0.10 -0.11 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 1gdx h TRP 28 Cb 0.60 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1gdx h TRP 28 CO 0.05 0.84 0.07 0.52 -3.56 0.00 0.00 178.44 176.36 1gdx h MET 29 N 0.93 0.60 -0.64 0.49 2.86 -0.93 -1.31 114.93 116.93 1gdx h MET 29 Ca 0.20 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1gdx h MET 29 Cb 0.35 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1gdx h MET 29 CO 0.00 0.66 0.27 0.00 1.06 0.00 0.00 176.91 178.90 1gdx h LEU 31 N 0.92 -0.07 -0.84 0.00 5.85 -0.83 -1.94 115.31 118.39 1gdx h LEU 31 Ca 0.22 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1gdx h LEU 31 Cb 0.15 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1gdx h LEU 31 CO -0.02 0.18 0.28 0.00 -0.34 0.00 0.00 178.44 178.54 1gdx h ALA 32 N 0.61 1.07 0.35 1.25 0.00 -1.04 0.22 119.26 121.72 1gdx h ALA 32 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gdx h ALA 32 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gdx h ALA 32 CO 0.01 0.65 -0.19 -0.22 0.00 0.00 0.00 179.25 179.50 1gdx h LYS 33 N 1.10 -0.49 -0.02 0.00 1.63 -1.04 -0.34 116.57 117.42 1gdx h LYS 33 Ca 0.25 0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.94 1gdx h LYS 33 Cb 0.24 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1gdx h LYS 33 CO -0.02 -0.33 -0.64 -1.49 -3.45 0.00 0.00 179.45 173.52 1gdx h TRP 34 N -0.51 0.09 -0.05 1.91 4.06 -1.20 0.22 115.95 120.48 1gdx h TRP 34 Ca -0.04 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.80 1gdx h TRP 34 Cb 0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1gdx h TRP 34 CO -0.07 0.69 -0.22 0.93 -3.56 0.00 0.00 178.44 176.21 1gdx h GLU 35 N 0.05 0.24 0.00 0.49 4.39 -0.44 -3.42 114.58 115.89 1gdx h GLU 35 Ca -0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1gdx h GLU 35 Cb 1.14 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1gdx h GLU 35 CO 0.09 0.84 0.00 -1.13 -1.16 0.00 0.00 179.01 177.64 1gdx n SER 36 N -4.53 0.14 -1.11 1.42 3.41 -0.18 -4.85 113.62 107.92 1gdx n SER 36 Ca -0.08 -0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 57.85 1gdx n SER 36 Cb 0.45 0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1gdx n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gdx n GLY 37 N 0.13 -0.00 2.31 5.00 0.00 0.07 -2.67 105.19 110.02 1gdx n GLY 37 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1gdx n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gdx n TYR 38 N -3.99 -0.35 -3.54 1.61 0.53 -1.18 -4.75 117.16 105.49 1gdx n TYR 38 Ca -0.11 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.37 1gdx n TYR 38 Cb 0.58 -2.67 -0.11 0.00 -1.03 0.00 0.00 39.34 36.12 1gdx n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gdx s ASN 39 N -2.61 6.02 0.50 7.72 2.47 -1.09 -0.97 114.94 126.98 1gdx s ASN 39 Ca 0.00 -0.42 0.32 0.00 0.42 0.00 0.00 52.86 53.17 1gdx s ASN 39 Cb 0.00 -2.13 1.28 0.00 -1.45 0.00 0.00 41.25 38.95 1gdx s ASN 39 CO 0.00 -0.23 1.93 0.71 -3.72 0.00 0.00 177.10 175.79 1gdx h THR 40 N 5.50 0.00 -0.45 -5.21 1.35 -1.12 -3.01 112.91 109.97 1gdx h THR 40 Ca -0.31 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1gdx h THR 40 Cb 1.16 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1gdx h THR 40 CO 0.63 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 1gdx n ARG 41 N -2.94 3.74 -2.25 4.72 -4.01 -1.26 -3.97 116.66 110.70 1gdx n ARG 41 Ca 0.01 -2.90 -0.41 0.00 -1.04 0.00 0.00 57.85 53.52 1gdx n ARG 41 Cb 0.30 -1.95 -0.03 0.00 -3.04 0.00 0.00 32.46 27.74 1gdx n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1gdx s ALA 42 N -2.47 3.48 0.01 2.89 0.00 -1.15 -4.81 121.76 119.71 1gdx s ALA 42 Ca 0.47 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.54 1gdx s ALA 42 Cb 0.35 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1gdx s ALA 42 CO 0.15 -0.47 -0.02 0.95 0.00 0.00 0.00 175.76 176.37 1gdx s THR 43 N -0.87 0.07 -0.08 0.00 -4.23 -1.26 -0.82 115.64 108.45 1gdx s THR 43 Ca 0.49 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1gdx s THR 43 Cb -0.37 -0.18 0.04 0.00 1.34 0.00 0.00 72.50 73.34 1gdx s THR 43 CO 0.46 -0.32 0.12 0.21 -0.54 0.00 0.00 174.62 174.55 1gdx s ASN 44 N -0.95 0.98 0.03 3.99 2.47 -0.72 -4.97 114.94 115.77 1gdx s ASN 44 Ca -0.10 0.19 -0.18 0.00 0.42 0.00 0.00 52.86 53.18 1gdx s ASN 44 Cb -0.06 0.11 -0.06 0.00 -1.45 0.00 0.00 41.25 39.79 1gdx s ASN 44 CO -0.01 -0.25 0.51 -0.47 -3.72 0.00 0.00 177.10 173.16 1gdx s TYR 45 N 2.25 3.75 -0.48 0.43 6.14 -1.26 -0.31 117.35 127.87 1gdx s TYR 45 Ca 0.04 1.15 -0.08 0.00 0.64 0.00 0.00 57.07 58.82 1gdx s TYR 45 Cb -0.12 -2.44 0.12 0.00 0.42 0.00 0.00 41.96 39.94 1gdx s TYR 45 CO -0.05 0.56 0.34 -0.80 0.64 0.00 0.00 175.55 176.24 1gdx s ASN 46 N -0.91 5.63 0.51 4.32 0.01 0.40 -4.96 114.94 119.93 1gdx s ASN 46 Ca 0.27 -2.02 0.17 0.00 -0.71 0.00 0.00 52.86 50.57 1gdx s ASN 46 Cb -0.18 -1.98 1.25 0.00 0.41 0.00 0.00 41.25 40.75 1gdx s ASN 46 CO 0.16 -0.64 2.12 0.00 -1.51 0.00 0.00 177.10 177.23 1gdx h ALA 47 N 8.27 1.88 -0.21 0.60 0.00 -1.97 0.79 119.26 128.63 1gdx h ALA 47 Ca -0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1gdx h ALA 47 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1gdx h ALA 47 CO 0.82 0.06 0.07 0.78 0.00 0.00 0.00 179.25 180.98 1gdx h GLY 48 N 0.14 0.34 -0.68 0.00 0.00 -1.95 -3.31 103.07 97.62 1gdx h GLY 48 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1gdx h GLY 48 CO 0.01 0.18 0.00 2.09 0.00 0.00 0.00 176.54 178.82 1gdx n ASP 49 N -4.80 2.40 -2.29 0.19 5.75 -1.14 -5.00 116.55 111.65 1gdx n ASP 49 Ca -0.04 -1.92 -0.20 0.00 -0.01 0.00 0.00 54.79 52.62 1gdx n ASP 49 Cb 0.14 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1gdx n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gdx n ARG 50 N 0.09 -1.62 -3.68 0.11 1.74 0.26 -4.79 116.66 108.76 1gdx n ARG 50 Ca 0.06 1.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.93 1gdx n ARG 50 Cb 0.32 -5.63 -0.04 0.00 -1.02 0.00 0.00 32.46 26.10 1gdx n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gdx s SER 51 N -2.12 5.03 -0.00 0.55 1.04 -1.19 -4.43 113.70 112.58 1gdx s SER 51 Ca 0.00 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1gdx s SER 51 Cb 0.00 -0.65 -0.00 0.00 0.10 0.00 0.00 66.02 65.46 1gdx s SER 51 CO 0.00 -0.57 -0.06 -0.89 0.98 0.00 0.00 173.24 172.71 1gdx s THR 52 N -2.45 0.43 -0.16 2.02 2.01 -1.26 -0.46 115.64 115.78 1gdx s THR 52 Ca 0.46 -0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 1gdx s THR 52 Cb -0.03 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1gdx s THR 52 CO 0.27 0.12 0.25 -1.81 -0.69 0.00 0.00 174.62 172.76 1gdx s ASP 53 N -0.13 6.40 -0.04 3.53 1.01 0.58 -1.00 116.67 127.01 1gdx s ASP 53 Ca 0.02 0.46 0.06 0.00 0.71 0.00 0.00 52.55 53.81 1gdx s ASP 53 Cb -0.02 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1gdx s ASP 53 CO -0.00 0.15 -0.24 -0.31 0.21 0.00 0.00 175.17 174.97 1gdx s TYR 54 N 0.28 2.43 0.00 4.23 2.02 -0.24 -1.76 117.35 124.32 1gdx s TYR 54 Ca 0.15 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1gdx s TYR 54 Cb -0.13 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1gdx s TYR 54 CO 0.03 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1gdx n GLY 55 N 2.71 -1.43 0.26 0.71 0.00 -0.00 -1.89 105.19 105.56 1gdx n GLY 55 Ca -0.17 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1gdx n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gdx h ILE 56 N 0.00 0.77 -0.15 -0.61 2.10 -1.66 -1.76 117.51 116.21 1gdx h ILE 56 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1gdx h ILE 56 Cb 0.00 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1gdx h ILE 56 CO 0.00 0.08 0.00 0.49 -1.08 0.00 0.00 178.15 177.64 1gdx n PHE 57 N -4.03 0.18 -3.76 2.19 0.99 -1.26 -4.04 117.46 107.73 1gdx n PHE 57 Ca -0.03 -0.15 -0.32 0.00 -0.00 0.00 0.00 57.45 56.95 1gdx n PHE 57 Cb 0.17 -0.01 0.03 0.00 -1.00 0.00 0.00 39.48 38.68 1gdx n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gdx n GLN 58 N 0.79 -1.41 -2.74 -1.08 1.13 -0.66 -4.92 117.38 108.49 1gdx n GLN 58 Ca 0.10 0.41 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1gdx n GLN 58 Cb 0.39 -4.02 -0.03 0.00 0.11 0.00 0.00 30.24 26.69 1gdx n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gdx s ILE 59 N -3.53 4.83 0.14 5.09 1.01 -0.79 -4.44 121.20 123.50 1gdx s ILE 59 Ca 0.42 1.96 -0.30 0.00 0.00 0.00 0.00 60.65 62.72 1gdx s ILE 59 Cb -0.16 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 1gdx s ILE 59 CO 0.88 0.05 1.13 0.21 0.00 0.00 0.00 174.94 177.20 1gdx s ASN 60 N 1.07 7.21 0.57 3.58 3.84 -1.26 -1.07 114.94 128.87 1gdx s ASN 60 Ca 0.47 2.07 0.35 0.00 0.21 0.00 0.00 52.86 55.96 1gdx s ASN 60 Cb -0.18 -2.60 1.62 0.00 -0.55 0.00 0.00 41.25 39.54 1gdx s ASN 60 CO 0.19 -0.30 2.09 0.77 -2.79 0.00 0.00 177.10 177.06 1gdx h SER 61 N 5.58 0.00 -0.04 -4.21 4.64 -1.32 -1.87 113.55 116.32 1gdx h SER 61 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1gdx h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1gdx h SER 61 CO 0.75 0.03 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.60 1gdx h ARG 62 N 0.00 0.24 0.00 4.77 2.43 -1.84 -3.39 114.38 116.59 1gdx h ARG 62 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1gdx h ARG 62 Cb 0.37 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1gdx h ARG 62 CO 0.00 0.31 -0.80 0.66 -1.51 0.00 0.00 179.97 178.63 1gdx n TYR 63 N -4.35 0.00 -0.10 2.20 4.02 -1.13 -0.16 117.16 117.64 1gdx n TYR 63 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1gdx n TYR 63 Cb 0.21 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.38 1gdx n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gdx n TRP 64 N -1.82 0.11 -4.15 -0.72 7.02 -0.72 -0.93 117.44 116.23 1gdx n TRP 64 Ca 0.00 0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1gdx n TRP 64 Cb 0.40 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.17 1gdx n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gdx s ASN 66 N -3.04 5.43 0.00 0.00 2.47 -0.54 -4.61 114.94 114.65 1gdx s ASN 66 Ca 0.19 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.41 1gdx s ASN 66 Cb 0.07 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1gdx s ASN 66 CO -0.01 0.06 0.86 -0.90 -3.72 0.00 0.00 177.10 173.39 1gdx n ASP 67 N 4.27 1.69 0.00 -4.21 5.75 -1.26 -0.83 116.55 121.97 1gdx n ASP 67 Ca -0.16 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1gdx n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1gdx n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gdx n GLY 68 N -0.36 0.53 0.02 6.12 0.00 -1.26 -4.74 105.19 105.49 1gdx n GLY 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1gdx n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gdx n LYS 69 N -2.00 2.43 -3.65 1.61 2.85 -1.26 -4.96 118.16 113.17 1gdx n LYS 69 Ca 0.00 -1.75 -0.38 0.00 -1.05 0.00 0.00 58.31 55.12 1gdx n LYS 69 Cb 0.00 -1.11 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 1gdx n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gdx s THR 70 N -1.46 4.67 -0.02 0.58 2.01 -1.26 -4.93 115.64 115.23 1gdx s THR 70 Ca 0.09 -0.35 -0.36 0.00 0.31 0.00 0.00 61.69 61.37 1gdx s THR 70 Cb 0.07 -3.36 -0.14 0.00 0.01 0.00 0.00 72.50 69.09 1gdx s THR 70 CO 0.01 0.09 1.67 -2.65 -0.69 0.00 0.00 174.62 173.05 1gdx n PRO 71 N 4.99 1.81 -2.17 4.92 -0.02 -1.26 -2.48 135.00 140.79 1gdx n PRO 71 Ca -0.14 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1gdx n PRO 71 Cb 0.49 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1gdx n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gdx n GLY 72 N 3.75 0.04 3.85 -1.23 0.00 -1.26 -4.96 105.19 105.38 1gdx n GLY 72 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1gdx n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdx s ALA 73 N -2.70 2.79 0.51 4.61 0.00 -1.03 -5.06 121.76 120.88 1gdx s ALA 73 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1gdx s ALA 73 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1gdx s ALA 73 CO 0.00 -1.12 0.09 0.14 0.00 0.00 0.00 175.76 174.87 1gdx s VAL 74 N -3.18 1.34 -0.39 0.00 -7.23 0.77 -5.00 120.40 106.72 1gdx s VAL 74 Ca 0.58 -1.89 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1gdx s VAL 74 Cb -0.12 -2.24 0.26 0.00 0.56 0.00 0.00 36.38 34.84 1gdx s VAL 74 CO 0.54 0.00 0.56 -3.20 -0.31 0.00 0.00 175.10 172.69 1gdx n ASN 75 N -1.34 0.03 0.26 4.85 5.15 -1.21 -3.96 115.26 119.04 1gdx n ASN 75 Ca -0.14 -2.76 0.08 0.00 -0.60 0.00 0.00 54.58 51.15 1gdx n ASN 75 Cb 0.66 -0.48 0.63 0.00 -0.53 0.00 0.00 39.78 40.07 1gdx n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gdx h ALA 76 N 3.90 1.95 -0.00 5.20 0.00 -1.05 -0.63 119.26 128.63 1gdx h ALA 76 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gdx h ALA 76 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gdx h ALA 76 CO 0.45 0.03 -0.17 0.00 0.00 0.00 0.00 179.25 179.56 1gdx n HIS 78 N -1.14 -1.80 -4.04 0.00 -0.00 -0.24 -4.97 115.22 103.02 1gdx n HIS 78 Ca 0.11 0.67 -0.08 0.00 -0.00 0.00 0.00 57.72 58.42 1gdx n HIS 78 Cb 0.30 -3.79 -0.10 0.00 -0.00 0.00 0.00 29.99 26.40 1gdx n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gdx s LEU 79 N -6.71 2.35 0.41 2.41 1.43 -1.26 -5.07 118.68 112.23 1gdx s LEU 79 Ca 0.17 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 1gdx s LEU 79 Cb -0.06 0.21 -0.10 0.00 0.03 0.00 0.00 46.19 46.27 1gdx s LEU 79 CO 0.86 -0.50 0.97 -0.55 0.23 0.00 0.00 176.35 177.36 1gdx s SER 80 N -2.42 6.95 0.57 2.29 0.15 -1.26 -1.47 113.70 118.50 1gdx s SER 80 Ca -0.01 1.79 0.38 0.00 0.70 0.00 0.00 55.95 58.81 1gdx s SER 80 Cb 0.02 -2.56 2.05 0.00 -1.71 0.00 0.00 66.02 63.82 1gdx s SER 80 CO -0.07 -0.35 2.16 0.00 1.20 0.00 0.00 173.24 176.18 1gdx h SER 82 N 0.00 0.28 0.03 0.00 0.87 -1.91 -1.31 113.55 111.51 1gdx h SER 82 Ca 0.00 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1gdx h SER 82 Cb 0.02 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1gdx h SER 82 CO 0.00 0.34 -0.00 0.00 -0.53 0.00 0.00 176.83 176.64 1gdx h ALA 83 N 1.70 1.20 -0.25 6.23 0.00 -1.50 0.77 119.26 127.42 1gdx h ALA 83 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gdx h ALA 83 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1gdx h ALA 83 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1gdx n LEU 84 N -3.37 2.13 -0.32 0.00 4.77 -0.49 -3.76 117.00 115.95 1gdx n LEU 84 Ca -0.03 -0.92 0.04 0.00 -0.03 0.00 0.00 56.01 55.07 1gdx n LEU 84 Cb 0.08 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1gdx n LEU 84 CO 0.23 0.46 0.57 0.18 -1.33 0.00 0.00 177.39 177.51 1gdx n LEU 85 N 0.63 2.56 -4.83 2.23 4.77 0.26 -3.30 117.00 119.33 1gdx n LEU 85 Ca 0.16 -2.26 -0.33 0.00 -0.03 0.00 0.00 56.01 53.56 1gdx n LEU 85 Cb 0.39 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1gdx n LEU 85 CO 0.13 0.62 0.67 -1.10 -1.33 0.00 0.00 177.39 176.38 1gdx s GLN 86 N -1.46 4.06 0.27 3.23 -0.21 -1.23 -4.57 119.66 119.75 1gdx s GLN 86 Ca 0.17 1.06 -0.01 0.00 0.02 0.00 0.00 55.36 56.60 1gdx s GLN 86 Cb 0.11 -2.15 0.38 0.00 1.00 0.00 0.00 33.01 32.35 1gdx s GLN 86 CO 0.07 -0.18 1.78 -0.44 -2.12 0.00 0.00 175.29 174.40 1gdx h ASP 87 N 1.40 0.73 -3.09 5.90 5.19 -1.94 -3.39 116.42 121.21 1gdx h ASP 87 Ca -0.48 -0.16 -0.58 0.00 -0.62 0.00 0.00 57.03 55.19 1gdx h ASP 87 Cb 1.19 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.44 1gdx h ASP 87 CO 0.61 0.78 0.78 0.21 -3.12 0.00 0.00 179.24 178.51 1gdx s ASN 88 N -6.65 7.08 0.00 6.45 3.84 -1.26 -4.88 114.94 119.53 1gdx s ASN 88 Ca -0.09 1.36 0.19 0.00 0.21 0.00 0.00 52.86 54.52 1gdx s ASN 88 Cb 0.15 -2.53 0.72 0.00 -0.55 0.00 0.00 41.25 39.04 1gdx s ASN 88 CO 0.80 -0.66 1.52 2.30 -2.79 0.00 0.00 177.10 178.27 1gdx n ILE 89 N 5.32 0.21 -0.19 -5.21 -5.35 -1.26 -4.46 119.36 108.43 1gdx n ILE 89 Ca 0.12 -0.31 -0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1gdx n ILE 89 Cb 0.46 0.26 0.08 0.00 -1.74 0.00 0.00 39.64 38.70 1gdx n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gdx h ALA 90 N 3.91 0.53 -0.53 -1.28 0.00 -1.95 0.92 119.26 120.87 1gdx h ALA 90 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1gdx h ALA 90 Cb 0.41 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1gdx h ALA 90 CO 0.00 -0.39 -0.03 -0.44 0.00 0.00 0.00 179.25 178.39 1gdx h ASP 91 N 0.11 0.93 -0.84 0.00 3.45 -1.86 -0.73 116.42 117.48 1gdx h ASP 91 Ca 0.29 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 1gdx h ASP 91 Cb 0.46 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.94 1gdx h ASP 91 CO -0.49 1.03 0.50 0.00 -1.57 0.00 0.00 179.24 178.71 1gdx h ALA 92 N 0.94 1.29 -0.45 3.45 0.00 -1.54 -0.74 119.26 122.21 1gdx h ALA 92 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1gdx h ALA 92 Cb 0.57 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gdx h ALA 92 CO 0.03 0.60 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 1gdx h VAL 93 N 1.17 1.27 -0.64 0.00 2.07 -0.51 0.16 116.25 119.77 1gdx h VAL 93 Ca 0.30 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1gdx h VAL 93 Cb -0.04 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1gdx h VAL 93 CO -0.06 0.40 0.27 0.00 0.02 0.00 0.00 177.57 178.21 1gdx h ALA 94 N 0.88 1.26 -0.13 1.67 0.00 -0.68 -0.40 119.26 121.85 1gdx h ALA 94 Ca 0.12 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1gdx h ALA 94 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gdx h ALA 94 CO 0.04 0.55 -0.72 0.00 0.00 0.00 0.00 179.25 179.12 1gdx h ALA 96 N 0.78 1.25 -0.54 0.00 0.00 -0.16 -0.07 119.26 120.51 1gdx h ALA 96 Ca -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1gdx h ALA 96 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1gdx h ALA 96 CO 0.14 0.51 0.13 0.87 0.00 0.00 0.00 179.25 180.90 1gdx h LYS 97 N 0.67 0.86 -0.63 0.00 1.57 -0.98 -2.30 116.57 115.78 1gdx h LYS 97 Ca 0.14 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1gdx h LYS 97 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1gdx h LYS 97 CO 0.01 0.81 0.30 -0.09 -0.57 0.00 0.00 179.45 179.91 1gdx h ARG 98 N 0.76 0.90 -0.28 3.15 9.65 -0.91 -2.54 114.38 125.12 1gdx h ARG 98 Ca 0.17 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1gdx h ARG 98 Cb 0.34 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1gdx h ARG 98 CO 0.00 0.73 0.08 0.28 2.80 0.00 0.00 179.97 183.85 1gdx h VAL 99 N 0.86 0.90 0.00 0.20 2.07 -0.75 -2.42 116.25 117.11 1gdx h VAL 99 Ca 0.21 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1gdx h VAL 99 Cb 0.12 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1gdx h VAL 99 CO -0.03 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1gdx n VAL 100 N -5.06 0.65 1.96 2.57 0.24 -0.89 -2.28 118.33 115.52 1gdx n VAL 100 Ca -0.01 0.16 0.09 0.00 -2.04 0.00 0.00 64.34 62.54 1gdx n VAL 100 Cb 0.11 -0.83 0.52 0.00 -1.47 0.00 0.00 33.84 32.18 1gdx n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gdx n ARG 101 N -1.49 0.98 -2.64 7.34 1.74 -0.91 -3.92 116.66 117.76 1gdx n ARG 101 Ca 0.05 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 1gdx n ARG 101 Cb 0.23 -1.28 0.03 0.00 -1.02 0.00 0.00 32.46 30.42 1gdx n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gdx s ASP 102 N -1.57 5.38 0.33 0.55 -0.00 -0.97 -4.98 116.67 115.40 1gdx s ASP 102 Ca 0.27 0.20 0.08 0.00 -0.00 0.00 0.00 52.55 53.10 1gdx s ASP 102 Cb 0.12 -1.15 0.95 0.00 -0.00 0.00 0.00 42.92 42.84 1gdx s ASP 102 CO 0.20 -1.09 1.59 -0.65 -0.00 0.00 0.00 175.17 175.22 1gdx h PRO 103 N 0.03 0.05 0.00 8.23 0.11 -1.88 -1.98 132.00 136.56 1gdx h PRO 103 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1gdx h PRO 103 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1gdx h PRO 103 CO 0.55 0.03 0.00 1.96 -0.21 0.00 0.00 178.00 180.34 1gdx h GLN 104 N 0.05 0.00 0.00 1.05 4.20 -1.90 -3.50 115.11 115.01 1gdx h GLN 104 Ca 0.68 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.39 1gdx h GLN 104 Cb 1.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1gdx h GLN 104 CO -0.82 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.75 1gdx n GLY 105 N 0.99 2.39 0.28 3.46 0.00 -0.75 -2.34 105.19 109.22 1gdx n GLY 105 Ca 0.04 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.77 1gdx n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gdx h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.92 -2.06 117.51 119.01 1gdx h ILE 106 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1gdx h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1gdx h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gdx n ARG 107 N -2.92 0.20 -0.18 2.19 1.74 -0.99 -3.07 116.66 113.63 1gdx n ARG 107 Ca -0.01 0.14 0.14 0.00 -0.77 0.00 0.00 57.85 57.34 1gdx n ARG 107 Cb 0.15 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.55 1gdx n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gdx h ALA 108 N 2.79 2.01 -2.41 7.54 0.00 -1.53 -3.38 119.26 124.28 1gdx h ALA 108 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1gdx h ALA 108 Cb 0.19 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.75 1gdx h ALA 108 CO 0.00 -0.21 0.03 -1.58 0.00 0.00 0.00 179.25 177.49 1gdx s TRP 109 N -5.49 3.18 0.40 0.00 0.51 -1.18 -4.96 118.94 111.41 1gdx s TRP 109 Ca -0.08 0.31 0.06 0.00 -2.12 0.00 0.00 56.10 54.27 1gdx s TRP 109 Cb 0.21 -2.99 0.82 0.00 -0.81 0.00 0.00 33.47 30.71 1gdx s TRP 109 CO 0.77 -0.54 2.05 0.28 -0.51 0.00 0.00 176.95 179.00 1gdx h VAL 110 N 5.61 1.12 -0.18 4.03 2.07 -1.90 -1.38 116.25 125.61 1gdx h VAL 110 Ca -0.27 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1gdx h VAL 110 Cb 1.12 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1gdx h VAL 110 CO 0.79 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 178.47 1gdx h ALA 111 N 1.72 1.63 -0.37 1.67 0.00 -1.94 0.71 119.26 122.69 1gdx h ALA 111 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1gdx h ALA 111 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gdx h ALA 111 CO -0.03 0.27 0.03 2.35 0.00 0.00 0.00 179.25 181.86 1gdx h TRP 112 N 0.26 0.68 -0.74 0.00 7.01 -1.58 0.23 115.95 121.81 1gdx h TRP 112 Ca 0.06 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1gdx h TRP 112 Cb 0.21 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 1gdx h TRP 112 CO 0.00 0.71 0.47 0.00 -2.79 0.00 0.00 178.44 176.83 1gdx h ARG 113 N 0.45 0.99 0.18 2.65 3.08 -1.10 0.15 114.38 120.77 1gdx h ARG 113 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1gdx h ARG 113 Cb 0.42 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1gdx h ARG 113 CO 0.01 0.67 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.59 1gdx h ASN 114 N 1.01 -0.20 -0.02 7.04 2.35 -0.59 -3.34 115.58 121.83 1gdx h ASN 114 Ca 0.27 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1gdx h ASN 114 Cb -0.08 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1gdx h ASN 114 CO -0.06 0.17 -0.04 0.54 -1.65 0.00 0.00 177.43 176.40 1gdx n ARG 115 N -5.03 1.12 0.00 0.81 5.12 0.77 -4.77 116.66 114.68 1gdx n ARG 115 Ca -0.09 -1.28 0.00 0.00 -1.93 0.00 0.00 57.85 54.55 1gdx n ARG 115 Cb 0.24 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1gdx n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gdx s GLN 117 N -1.71 4.14 -1.63 0.00 0.74 0.06 -2.16 119.66 119.10 1gdx s GLN 117 Ca 0.00 2.56 0.00 0.00 0.05 0.00 0.00 55.36 57.97 1gdx s GLN 117 Cb 0.00 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1gdx s GLN 117 CO 0.00 -0.73 0.00 0.09 -0.55 0.00 0.00 175.29 174.10 1gdx n ASN 118 N 4.05 -5.41 -4.69 6.67 5.03 -1.26 -4.96 115.26 114.69 1gdx n ASN 118 Ca 0.16 0.06 -0.24 0.00 0.87 0.00 0.00 54.58 55.43 1gdx n ASN 118 Cb 0.36 -4.54 -0.07 0.00 -1.02 0.00 0.00 39.78 34.51 1gdx n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gdx s ARG 119 N -4.96 2.25 -0.70 3.52 1.81 -0.92 -5.07 118.95 114.89 1gdx s ARG 119 Ca 0.00 -1.63 -0.24 0.00 -1.72 0.00 0.00 55.73 52.13 1gdx s ARG 119 Cb 0.00 -2.07 0.06 0.00 -0.45 0.00 0.00 34.95 32.49 1gdx s ARG 119 CO 0.00 0.12 1.09 0.34 -0.68 0.00 0.00 175.30 176.17 1gdx s ASP 120 N -3.79 6.17 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.09 1gdx s ASP 120 Ca 0.36 -0.80 0.23 0.00 -0.52 0.00 0.00 52.55 51.83 1gdx s ASP 120 Cb -0.01 -2.47 0.46 0.00 -1.46 0.00 0.00 42.92 39.43 1gdx s ASP 120 CO 0.21 -1.59 1.41 1.33 0.52 0.00 0.00 175.17 177.06 1gdx n VAL 121 N 6.10 0.27 -0.29 1.11 0.24 -1.26 -4.47 118.33 120.03 1gdx n VAL 121 Ca -0.01 -0.57 0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1gdx n VAL 121 Cb 0.47 0.99 0.41 0.00 -1.47 0.00 0.00 33.84 34.25 1gdx n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gdx h ARG 122 N 4.01 0.58 -0.90 7.34 3.08 -1.92 -2.29 114.38 124.28 1gdx h ARG 122 Ca 0.00 -0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.24 1gdx h ARG 122 Cb 0.87 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1gdx h ARG 122 CO 0.00 0.39 0.61 -0.56 -1.07 0.00 0.00 179.97 179.33 1gdx h GLN 123 N 0.60 0.26 0.00 0.04 3.07 -1.98 -2.14 115.11 114.97 1gdx h GLN 123 Ca 0.50 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.19 1gdx h GLN 123 Cb 0.97 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 1gdx h GLN 123 CO -0.25 0.17 -0.18 1.88 0.09 0.00 0.00 178.83 180.54 1gdx h TYR 124 N 0.27 0.00 -0.01 0.06 0.05 -1.75 -3.06 116.97 112.52 1gdx h TYR 124 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 1gdx h TYR 124 Cb 1.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.09 1gdx h TYR 124 CO -0.00 0.18 -0.02 1.33 -1.05 0.00 0.00 178.16 178.60 1gdx n VAL 125 N -4.07 0.00 -1.74 -2.88 0.24 -0.83 -4.80 118.33 104.26 1gdx n VAL 125 Ca -0.02 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 1gdx n VAL 125 Cb 0.26 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.77 1gdx n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gdx s GLN 126 N -0.78 4.13 0.00 7.34 -1.52 -1.05 -1.94 119.66 125.84 1gdx s GLN 126 Ca 0.10 2.59 0.00 0.00 -1.95 0.00 0.00 55.36 56.10 1gdx s GLN 126 Cb 0.07 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1gdx s GLN 126 CO 0.12 -0.76 0.00 0.41 -0.25 0.00 0.00 175.29 174.81 1gdx n GLY 127 N 4.00 0.89 0.06 3.09 0.00 -1.26 -4.90 105.19 107.07 1gdx n GLY 127 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1gdx n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdx n GLY 129 N 1.40 0.12 0.35 0.00 0.00 -1.26 -4.80 105.19 100.99 1gdx n GLY 129 Ca 0.10 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1gdx n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65