#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdx h LEU 11 N 0.00 0.57 -4.55 3.22 6.46 -1.94 -2.21 115.31 116.87 3gdx h LEU 11 Ca 0.00 -0.01 -0.47 0.00 -0.12 0.00 0.00 57.88 57.28 3gdx h LEU 11 Cb 0.00 -0.13 -0.42 0.00 -0.73 0.00 0.00 40.66 39.38 3gdx h LEU 11 CO 0.00 0.40 -0.92 0.59 -0.62 0.00 0.00 178.44 177.89 3gdx n ASN 12 N -4.47 3.57 -0.35 1.25 3.02 -1.26 -4.82 115.26 112.20 3gdx n ASN 12 Ca 0.07 -3.23 0.02 0.00 -0.03 0.00 0.00 54.58 51.42 3gdx n ASN 12 Cb 0.14 -0.44 0.17 0.00 -0.61 0.00 0.00 39.78 39.04 3gdx n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3gdx h GLY 13 N 2.55 1.46 2.00 7.41 0.00 -1.82 -2.16 103.07 112.50 3gdx h GLY 13 Ca 0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3gdx h GLY 13 CO 0.63 0.30 -0.13 -1.33 0.00 0.00 0.00 176.54 176.02 3gdx h GLY 14 N 1.09 0.00 0.73 4.60 0.00 -1.91 -0.34 103.07 107.24 3gdx h GLY 14 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.39 3gdx h GLY 14 CO -0.18 0.00 -1.91 -2.22 0.00 0.00 0.00 176.54 172.23 3gdx h ILE 15 N 0.00 0.74 -0.26 2.60 2.04 -1.88 -3.14 117.51 117.60 3gdx h ILE 15 Ca -0.00 -2.41 -0.13 0.00 1.00 0.00 0.00 64.86 63.32 3gdx h ILE 15 Cb 0.39 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3gdx h ILE 15 CO 0.02 0.89 -0.37 0.71 0.00 0.00 0.00 178.15 179.39 3gdx h THR 16 N 0.09 1.29 -0.18 -0.27 1.35 -1.26 -1.70 112.91 112.22 3gdx h THR 16 Ca -0.39 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 3gdx h THR 16 Cb 2.06 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.96 3gdx h THR 16 CO 0.12 0.48 0.10 0.44 -0.25 0.00 0.00 175.52 176.42 3gdx h ASP 17 N 0.50 0.22 -0.01 5.36 3.32 -1.21 0.41 116.42 125.01 3gdx h ASP 17 Ca 0.05 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3gdx h ASP 17 Cb 0.87 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 3gdx h ASP 17 CO 0.07 0.23 -0.31 -0.03 -1.72 0.00 0.00 179.24 177.48 3gdx h MET 18 N 0.20 -0.44 -0.72 3.56 4.05 -1.46 0.23 114.93 120.35 3gdx h MET 18 Ca 0.06 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.59 3gdx h MET 18 Cb 0.05 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 3gdx h MET 18 CO -0.01 -0.29 0.40 -0.07 0.23 0.00 0.00 176.91 177.16 3gdx h LEU 19 N -0.46 0.58 -1.03 3.39 3.38 -1.15 0.19 115.31 120.21 3gdx h LEU 19 Ca 0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3gdx h LEU 19 Cb 0.55 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3gdx h LEU 19 CO -0.27 0.36 0.00 0.74 0.09 0.00 0.00 178.44 179.36 3gdx h THR 20 N 0.71 1.23 -0.48 0.22 2.02 -0.21 0.25 112.91 116.64 3gdx h THR 20 Ca 0.33 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 3gdx h THR 20 Cb 0.26 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3gdx h THR 20 CO -0.21 0.32 -0.19 -0.08 0.37 0.00 0.00 175.52 175.73 3gdx h GLU 21 N 0.65 0.96 -0.43 6.66 4.81 0.86 -0.13 114.58 127.96 3gdx h GLU 21 Ca 0.13 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3gdx h GLU 21 Cb 0.40 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3gdx h GLU 21 CO 0.02 1.06 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.19 3gdx h LEU 22 N 0.83 0.83 -0.70 1.64 3.38 -0.05 -1.57 115.31 119.67 3gdx h LEU 22 Ca 0.11 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3gdx h LEU 22 Cb 0.75 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3gdx h LEU 22 CO 0.06 0.99 0.45 0.00 0.09 0.00 0.00 178.44 180.04 3gdx h ALA 23 N 0.87 0.90 -0.86 1.53 0.00 -0.24 -0.34 119.26 121.11 3gdx h ALA 23 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gdx h ALA 23 Cb 0.62 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3gdx h ALA 23 CO 0.04 0.27 0.47 -0.91 0.00 0.00 0.00 179.25 179.12 3gdx h ASN 24 N 0.91 1.08 -0.53 0.00 2.35 -0.80 -1.59 115.58 117.01 3gdx h ASN 24 Ca 0.27 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3gdx h ASN 24 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 3gdx h ASN 24 CO -0.08 0.88 0.19 0.15 -1.65 0.00 0.00 177.43 176.92 3gdx h PHE 25 N 1.21 0.83 -0.48 1.19 3.04 -0.24 -0.95 116.94 121.54 3gdx h PHE 25 Ca 0.30 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 62.09 3gdx h PHE 25 Cb 0.04 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 3gdx h PHE 25 CO 0.01 0.70 -0.04 0.93 -2.02 0.00 0.00 178.31 177.89 3gdx h GLU 26 N 0.72 0.82 0.08 1.11 4.39 -0.72 -0.99 114.58 119.99 3gdx h GLU 26 Ca 0.17 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3gdx h GLU 26 Cb 0.24 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3gdx h GLU 26 CO -0.01 0.85 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.43 3gdx h LYS 27 N 0.75 -0.10 0.19 2.33 3.64 -1.12 0.12 116.57 122.39 3gdx h LYS 27 Ca 0.14 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3gdx h LYS 27 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3gdx h LYS 27 CO 0.03 0.39 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.60 3gdx h ASN 28 N -0.93 -0.22 0.00 4.20 2.35 -1.25 -2.66 115.58 117.07 3gdx h ASN 28 Ca -0.01 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3gdx h ASN 28 Cb 0.54 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3gdx h ASN 28 CO 0.02 0.21 -0.04 0.58 -1.65 0.00 0.00 177.43 176.55 3gdx h VAL 29 N -0.70 0.65 0.00 2.81 2.07 -1.36 -3.39 116.25 116.32 3gdx h VAL 29 Ca -0.03 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3gdx h VAL 29 Cb 0.49 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3gdx h VAL 29 CO 0.04 0.22 0.00 0.28 0.02 0.00 0.00 177.57 178.13 3gdx h SER 30 N -1.00 0.00 -6.28 0.57 0.02 -1.30 -3.47 113.55 102.08 3gdx h SER 30 Ca -0.01 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3gdx h SER 30 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3gdx h SER 30 CO -0.00 0.00 -0.79 0.00 -1.14 0.00 0.00 176.83 174.89 3gdx n GLN 31 N -3.08 -5.06 -3.55 3.45 6.02 0.23 -4.90 117.38 110.49 3gdx n GLN 31 Ca 0.03 0.58 -0.31 0.00 -0.01 0.00 0.00 57.00 57.29 3gdx n GLN 31 Cb 0.49 -5.31 -0.08 0.00 1.02 0.00 0.00 30.24 26.36 3gdx n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gdx n ALA 32 N -4.54 3.97 -0.37 -1.58 0.00 -0.02 -4.97 120.51 113.00 3gdx n ALA 32 Ca -0.08 -4.68 0.28 0.00 0.00 0.00 0.00 53.44 48.96 3gdx n ALA 32 Cb 0.58 -1.27 0.54 0.00 0.00 0.00 0.00 19.45 19.30 3gdx n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3gdx h ILE 33 N 3.71 0.32 -0.18 0.00 6.09 -1.89 -0.71 117.51 124.85 3gdx h ILE 33 Ca 0.18 -0.09 -0.17 0.00 -1.37 0.00 0.00 64.86 63.41 3gdx h ILE 33 Cb 0.71 0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.02 3gdx h ILE 33 CO 0.87 0.05 -0.58 0.45 -3.07 0.00 0.00 178.15 175.87 3gdx h HIS 34 N 0.28 0.74 -0.34 2.19 3.86 -1.95 -1.76 115.15 118.15 3gdx h HIS 34 Ca 0.71 -0.27 -0.06 0.00 -1.16 0.00 0.00 60.37 59.59 3gdx h HIS 34 Cb 1.90 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 30.22 3gdx h HIS 34 CO -0.01 1.02 -0.05 0.87 0.86 0.00 0.00 177.93 180.62 3gdx h LYS 35 N 0.44 0.56 0.45 2.45 1.57 -1.53 0.15 116.57 120.66 3gdx h LYS 35 Ca 0.00 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3gdx h LYS 35 Cb 1.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3gdx h LYS 35 CO 0.11 0.62 -0.29 -0.92 -0.57 0.00 0.00 179.45 178.40 3gdx h TYR 36 N 0.52 -0.75 -0.00 -1.35 3.20 -1.06 -1.64 116.97 115.88 3gdx h TYR 36 Ca 0.10 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3gdx h TYR 36 Cb 0.42 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3gdx h TYR 36 CO 0.02 -0.44 -0.28 -0.91 -1.64 0.00 0.00 178.16 174.90 3gdx h ASN 37 N -0.71 0.01 0.76 -2.11 2.35 -0.97 -0.59 115.58 114.32 3gdx h ASN 37 Ca -0.05 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3gdx h ASN 37 Cb 0.58 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3gdx h ASN 37 CO 0.05 0.29 -0.38 0.00 -1.65 0.00 0.00 177.43 175.73 3gdx h ALA 38 N 1.71 -1.05 -0.53 -0.83 0.00 -0.33 0.30 119.26 118.53 3gdx h ALA 38 Ca -0.00 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3gdx h ALA 38 Cb 0.51 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3gdx h ALA 38 CO 0.04 -1.09 0.23 1.88 0.00 0.00 0.00 179.25 180.31 3gdx h TYR 39 N -1.04 0.42 -0.83 0.00 0.05 -1.09 -0.66 116.97 113.81 3gdx h TYR 39 Ca -0.10 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.72 3gdx h TYR 39 Cb 0.81 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.40 3gdx h TYR 39 CO -0.04 0.17 0.54 0.00 -1.05 0.00 0.00 178.16 177.78 3gdx h ARG 40 N 0.44 1.05 -0.25 4.88 3.08 -0.92 0.24 114.38 122.91 3gdx h ARG 40 Ca 0.25 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3gdx h ARG 40 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3gdx h ARG 40 CO -0.21 0.69 0.01 -0.22 -1.07 0.00 0.00 179.97 179.17 3gdx h LYS 41 N 1.08 0.43 -0.62 0.04 3.64 -0.36 0.10 116.57 120.89 3gdx h LYS 41 Ca 0.32 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3gdx h LYS 41 Cb -0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3gdx h LYS 41 CO -0.09 0.60 0.32 0.00 -2.27 0.00 0.00 179.45 178.00 3gdx h ALA 42 N 0.82 1.40 -0.10 5.00 0.00 -0.74 0.18 119.26 125.81 3gdx h ALA 42 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gdx h ALA 42 Cb 0.40 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3gdx h ALA 42 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3gdx h ALA 43 N 1.49 0.13 -0.04 0.00 0.00 -0.27 -2.23 119.26 118.34 3gdx h ALA 43 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gdx h ALA 43 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gdx h ALA 43 CO -0.03 -0.19 -0.08 1.03 0.00 0.00 0.00 179.25 179.98 3gdx h SER 44 N -0.10 -0.24 0.24 0.00 0.87 -0.12 0.01 113.55 114.22 3gdx h SER 44 Ca 0.03 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3gdx h SER 44 Cb 0.34 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3gdx h SER 44 CO 0.00 -0.11 -0.19 1.62 -0.53 0.00 0.00 176.83 177.62 3gdx h VAL 45 N -0.12 1.03 0.09 2.23 3.04 -0.66 -2.43 116.25 119.43 3gdx h VAL 45 Ca 0.05 -0.68 -0.27 0.00 -1.01 0.00 0.00 66.70 64.78 3gdx h VAL 45 Cb 0.18 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 3gdx h VAL 45 CO -0.11 0.19 -1.30 0.40 -1.01 0.00 0.00 177.57 175.74 3gdx h ILE 46 N 0.00 1.41 -0.03 3.17 2.04 -1.15 -3.24 117.51 119.71 3gdx h ILE 46 Ca -0.00 -3.05 0.01 0.00 1.00 0.00 0.00 64.86 62.82 3gdx h ILE 46 Cb 0.36 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3gdx h ILE 46 CO 0.03 0.87 0.02 0.00 0.00 0.00 0.00 178.15 179.06 3gdx h ALA 47 N 0.68 1.76 -0.08 1.87 0.00 -0.49 -1.36 119.26 121.65 3gdx h ALA 47 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gdx h ALA 47 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3gdx h ALA 47 CO 0.17 -0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.74 3gdx n LYS 48 N -4.13 2.32 -1.99 0.00 2.85 -1.17 -4.77 118.16 111.28 3gdx n LYS 48 Ca -0.02 -1.97 -0.42 0.00 -1.05 0.00 0.00 58.31 54.85 3gdx n LYS 48 Cb 0.12 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 3gdx n LYS 48 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3gdx s TYR 49 N -1.91 2.57 -0.55 5.58 5.04 -0.51 -4.88 117.35 122.69 3gdx s TYR 49 Ca 0.29 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.40 3gdx s TYR 49 Cb 0.20 -3.90 0.16 0.00 0.35 0.00 0.00 41.96 38.77 3gdx s TYR 49 CO 0.30 -3.52 0.93 -0.35 -1.34 0.00 0.00 175.55 171.56 3gdx n PRO 50 N 5.40 1.59 -4.06 4.97 -0.04 -1.26 -4.84 135.00 136.75 3gdx n PRO 50 Ca 0.15 -0.64 -0.10 0.00 -0.04 0.00 0.00 63.50 62.88 3gdx n PRO 50 Cb 0.41 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3gdx n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gdx s HIS 51 N -1.09 0.53 -0.65 0.54 3.76 -1.26 -5.10 115.29 112.02 3gdx s HIS 51 Ca 0.11 -0.74 -0.26 0.00 -0.15 0.00 0.00 55.06 54.02 3gdx s HIS 51 Cb 0.09 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.47 3gdx s HIS 51 CO 0.03 -0.21 1.15 0.21 -0.85 0.00 0.00 174.74 175.07 3gdx s LYS 52 N -2.59 3.28 -0.03 1.40 2.20 -1.26 -4.87 119.74 117.88 3gdx s LYS 52 Ca -0.03 -0.21 -0.38 0.00 -0.36 0.00 0.00 55.97 54.99 3gdx s LYS 52 Cb -0.02 -4.12 -0.16 0.00 -1.51 0.00 0.00 37.83 32.01 3gdx s LYS 52 CO -0.04 -1.87 1.48 -0.89 -0.36 0.00 0.00 175.35 173.68 3gdx n ILE 53 N 6.35 0.11 0.82 5.43 5.41 -1.26 -4.90 119.36 131.33 3gdx n ILE 53 Ca 0.03 -0.02 0.10 0.00 1.00 0.00 0.00 62.75 63.86 3gdx n ILE 53 Cb 0.48 -0.99 0.04 0.00 -0.71 0.00 0.00 39.64 38.47 3gdx n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3gdx n LYS 54 N 3.52 1.63 -3.61 0.38 5.02 -1.26 -5.03 118.16 118.81 3gdx n LYS 54 Ca 0.21 -1.30 -0.01 0.00 -2.02 0.00 0.00 58.31 55.18 3gdx n LYS 54 Cb 0.18 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 3gdx n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gdx s SER 55 N -1.87 -0.07 0.48 4.39 1.04 -1.26 -5.00 113.70 111.41 3gdx s SER 55 Ca 0.19 -0.04 0.26 0.00 0.48 0.00 0.00 55.95 56.85 3gdx s SER 55 Cb 0.16 0.10 1.20 0.00 0.10 0.00 0.00 66.02 67.58 3gdx s SER 55 CO 0.35 -0.18 1.95 1.23 0.98 0.00 0.00 173.24 177.58 3gdx h GLY 56 N 2.00 0.00 1.20 7.32 0.00 -1.86 -2.42 103.07 109.31 3gdx h GLY 56 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.97 3gdx h GLY 56 CO 0.24 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 176.15 3gdx h ALA 57 N 1.83 0.43 -0.21 3.60 0.00 -1.95 0.13 119.26 123.09 3gdx h ALA 57 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3gdx h ALA 57 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gdx h ALA 57 CO 0.02 0.69 -0.16 1.49 0.00 0.00 0.00 179.25 181.29 3gdx h GLU 58 N 0.61 0.35 -0.00 0.00 4.81 -1.86 -2.48 114.58 116.00 3gdx h GLU 58 Ca -0.01 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 3gdx h GLU 58 Cb 1.25 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3gdx h GLU 58 CO 0.13 0.51 -0.82 0.00 -0.73 0.00 0.00 179.01 178.10 3gdx h ALA 59 N 1.51 0.62 0.00 2.92 0.00 -1.11 -3.15 119.26 120.06 3gdx h ALA 59 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3gdx h ALA 59 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gdx h ALA 59 CO 0.03 0.94 0.00 -0.22 0.00 0.00 0.00 179.25 180.00 3gdx h LYS 60 N 0.06 0.00 0.00 0.00 3.64 -0.28 -2.16 116.57 117.83 3gdx h LYS 60 Ca -0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3gdx h LYS 60 Cb 1.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3gdx h LYS 60 CO 0.12 0.00 -0.16 0.87 -2.27 0.00 0.00 179.45 178.01 3gdx h LYS 61 N 0.00 0.00 -6.91 1.90 1.57 -1.49 -3.43 116.57 108.22 3gdx h LYS 61 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3gdx h LYS 61 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3gdx h LYS 61 CO 0.00 0.16 0.38 -0.51 -0.57 0.00 0.00 179.45 178.91 3gdx s LEU 62 N -8.35 4.28 0.11 2.94 1.43 -0.81 -5.00 118.68 113.27 3gdx s LEU 62 Ca -0.04 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.71 3gdx s LEU 62 Cb 0.15 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 3gdx s LEU 62 CO 0.67 -0.23 1.27 -2.16 0.23 0.00 0.00 176.35 176.12 3gdx s PRO 63 N -2.17 4.40 0.00 1.29 0.04 -1.26 -2.79 135.00 134.51 3gdx s PRO 63 Ca 0.52 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3gdx s PRO 63 Cb -0.21 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3gdx s PRO 63 CO 0.27 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3gdx n GLY 64 N 3.10 2.43 3.41 0.56 0.00 -1.26 -4.85 105.19 108.57 3gdx n GLY 64 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3gdx n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdx s VAL 65 N -2.46 4.60 0.00 1.61 1.01 -1.12 -4.42 120.40 119.62 3gdx s VAL 65 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3gdx s VAL 65 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3gdx s VAL 65 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 3gdx n GLY 66 N 4.99 2.06 0.27 4.51 0.00 -1.26 -4.57 105.19 111.19 3gdx n GLY 66 Ca -0.13 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 3gdx n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gdx h THR 67 N 0.00 0.51 -0.27 2.61 2.02 -1.97 -2.42 112.91 113.38 3gdx h THR 67 Ca 0.00 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.00 3gdx h THR 67 Cb 0.00 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3gdx h THR 67 CO 0.00 0.04 -0.22 0.11 0.37 0.00 0.00 175.52 175.82 3gdx h LYS 68 N -0.78 -0.20 0.00 6.66 1.79 -2.00 0.31 116.57 122.35 3gdx h LYS 68 Ca -0.06 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 3gdx h LYS 68 Cb 0.55 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3gdx h LYS 68 CO 0.11 -0.13 -0.22 0.82 -1.08 0.00 0.00 179.45 178.94 3gdx h ILE 69 N -0.21 1.00 -0.43 1.86 2.04 -1.96 -2.18 117.51 117.64 3gdx h ILE 69 Ca 0.15 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 3gdx h ILE 69 Cb 0.43 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3gdx h ILE 69 CO -0.39 0.22 -0.08 0.00 0.00 0.00 0.00 178.15 177.89 3gdx h ALA 70 N 1.78 1.04 -0.11 1.87 0.00 -0.47 -1.07 119.26 122.30 3gdx h ALA 70 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3gdx h ALA 70 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gdx h ALA 70 CO 0.03 0.58 -0.23 0.93 0.00 0.00 0.00 179.25 180.56 3gdx h GLU 71 N 0.69 0.36 -0.57 0.00 5.08 -0.60 -2.54 114.58 117.00 3gdx h GLU 71 Ca 0.12 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3gdx h GLU 71 Cb 0.55 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3gdx h GLU 71 CO 0.03 0.83 0.38 0.87 -1.00 0.00 0.00 179.01 180.12 3gdx h LYS 72 N -0.07 0.51 -0.32 2.33 1.57 -1.24 -0.16 116.57 119.19 3gdx h LYS 72 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3gdx h LYS 72 Cb 0.82 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3gdx h LYS 72 CO 0.05 0.34 -0.37 0.82 -0.57 0.00 0.00 179.45 179.72 3gdx h ILE 73 N 0.53 1.29 -0.74 1.86 2.04 -1.11 -0.60 117.51 120.77 3gdx h ILE 73 Ca 0.25 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 3gdx h ILE 73 Cb 0.30 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3gdx h ILE 73 CO -0.07 0.51 0.31 0.44 0.00 0.00 0.00 178.15 179.33 3gdx h ASP 74 N 0.59 1.01 -0.25 1.72 3.32 -0.79 0.62 116.42 122.64 3gdx h ASP 74 Ca 0.04 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3gdx h ASP 74 Cb 0.96 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3gdx h ASP 74 CO 0.09 0.90 0.14 -0.08 -1.72 0.00 0.00 179.24 178.57 3gdx h GLU 75 N 1.06 0.34 -0.39 3.56 4.81 -0.91 -1.60 114.58 121.46 3gdx h GLU 75 Ca 0.25 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3gdx h GLU 75 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3gdx h GLU 75 CO -0.02 0.28 0.01 0.35 -0.73 0.00 0.00 179.01 178.90 3gdx h PHE 76 N 0.30 0.63 -0.15 0.92 3.57 -0.73 -1.32 116.94 120.15 3gdx h PHE 76 Ca 0.09 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3gdx h PHE 76 Cb 0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3gdx h PHE 76 CO -0.04 0.60 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.12 3gdx h LEU 77 N 0.58 0.39 0.00 0.59 3.38 -0.53 0.61 115.31 120.33 3gdx h LEU 77 Ca 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gdx h LEU 77 Cb 0.35 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gdx h LEU 77 CO 0.01 0.78 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 3gdx h ALA 78 N 1.23 -0.01 0.13 1.53 0.00 -0.99 -3.40 119.26 117.75 3gdx h ALA 78 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 3gdx h ALA 78 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gdx h ALA 78 CO 0.08 -0.01 -1.44 1.79 0.00 0.00 0.00 179.25 179.67 3gdx h THR 79 N -1.00 1.27 0.00 0.00 1.35 -1.38 -3.48 112.91 109.67 3gdx h THR 79 Ca -0.00 -2.87 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 3gdx h THR 79 Cb 0.09 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3gdx h THR 79 CO 0.00 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 3gdx n GLY 80 N 1.63 0.99 3.64 5.82 0.00 0.21 -5.06 105.19 112.42 3gdx n GLY 80 Ca -0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3gdx n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gdx n LYS 81 N -2.02 1.08 -4.51 1.61 2.85 -1.24 -5.01 118.16 110.93 3gdx n LYS 81 Ca 0.00 -2.13 -0.24 0.00 -1.05 0.00 0.00 58.31 54.90 3gdx n LYS 81 Cb 0.00 2.66 -0.17 0.00 -0.65 0.00 0.00 35.03 36.87 3gdx n LYS 81 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3gdx s LEU 82 N 0.00 1.59 0.24 -5.58 2.96 -1.26 -3.44 118.68 113.19 3gdx s LEU 82 Ca 0.16 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3gdx s LEU 82 Cb -0.05 -0.77 0.26 0.00 0.50 0.00 0.00 46.19 46.14 3gdx s LEU 82 CO 0.11 0.02 1.75 0.03 -1.32 0.00 0.00 176.35 176.94 3gdx h ARG 83 N 7.02 0.93 -0.68 1.98 3.08 -1.98 -0.90 114.38 123.83 3gdx h ARG 83 Ca -0.32 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.51 3gdx h ARG 83 Cb 1.18 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 3gdx h ARG 83 CO 0.47 0.87 0.45 -0.22 -1.07 0.00 0.00 179.97 180.47 3gdx h LYS 84 N 0.87 0.87 -0.02 0.04 3.64 -1.99 -0.94 116.57 119.05 3gdx h LYS 84 Ca 0.18 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.29 3gdx h LYS 84 Cb 0.41 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3gdx h LYS 84 CO 0.01 0.58 -0.88 -0.07 -2.27 0.00 0.00 179.45 176.82 3gdx h LEU 85 N 0.90 0.49 -0.37 5.20 3.38 -1.93 -0.90 115.31 122.07 3gdx h LEU 85 Ca 0.26 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3gdx h LEU 85 Cb -0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3gdx h LEU 85 CO -0.07 1.16 0.20 -0.33 0.09 0.00 0.00 178.44 179.49 3gdx h GLU 86 N 0.23 0.39 0.47 1.13 4.39 -0.85 0.90 114.58 121.24 3gdx h GLU 86 Ca -0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3gdx h GLU 86 Cb 1.50 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3gdx h GLU 86 CO 0.15 0.26 -0.23 -0.22 -1.16 0.00 0.00 179.01 177.81 3gdx h LYS 87 N 0.40 -0.61 -1.07 2.33 3.64 -1.15 -2.65 116.57 117.46 3gdx h LYS 87 Ca 0.15 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.86 3gdx h LYS 87 Cb 0.04 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.91 3gdx h LYS 87 CO -0.09 -0.34 0.69 0.82 -2.27 0.00 0.00 179.45 178.26 3gdx h ILE 88 N -0.79 0.48 0.00 2.00 2.04 -0.91 0.80 117.51 121.13 3gdx h ILE 88 Ca -0.06 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3gdx h ILE 88 Cb 0.56 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3gdx h ILE 88 CO 0.11 0.06 -0.34 0.03 0.00 0.00 0.00 178.15 178.00 3gdx h ARG 89 N 0.34 0.00 0.08 2.37 3.08 -0.49 -3.11 114.38 116.65 3gdx h ARG 89 Ca 0.61 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.40 3gdx h ARG 89 Cb 1.63 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.70 3gdx h ARG 89 CO -0.29 0.34 -1.13 1.96 -1.07 0.00 0.00 179.97 179.78 3gdx h GLN 90 N 0.00 0.43 -6.21 0.04 4.20 0.93 -3.45 115.11 111.05 3gdx h GLN 90 Ca -0.00 -0.57 -0.56 0.00 0.06 0.00 0.00 58.65 57.58 3gdx h GLN 90 Cb 0.69 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3gdx h GLN 90 CO 0.04 1.22 1.30 0.34 -0.67 0.00 0.00 178.83 181.07 3gdx s ASP 91 N -7.21 6.08 0.20 1.46 2.15 -0.86 -4.89 116.67 113.59 3gdx s ASP 91 Ca -0.06 2.16 -0.11 0.00 0.43 0.00 0.00 52.55 54.96 3gdx s ASP 91 Cb 0.07 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.34 3gdx s ASP 91 CO 0.89 -1.42 1.83 0.44 -0.17 0.00 0.00 175.17 176.74 3gdx h ASP 92 N 12.21 0.64 0.20 -0.34 3.32 -1.87 -0.61 116.42 129.97 3gdx h ASP 92 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3gdx h ASP 92 Cb 1.22 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3gdx h ASP 92 CO 0.96 0.44 -0.18 0.74 -1.72 0.00 0.00 179.24 179.49 3gdx h THR 93 N 0.78 0.61 -0.73 0.35 2.02 -1.95 0.16 112.91 114.15 3gdx h THR 93 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.50 3gdx h THR 93 Cb 0.04 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 3gdx h THR 93 CO -0.11 0.00 0.43 0.28 0.37 0.00 0.00 175.52 176.49 3gdx h SER 94 N -0.40 0.66 -0.19 4.18 0.02 -1.82 0.40 113.55 116.41 3gdx h SER 94 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gdx h SER 94 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3gdx h SER 94 CO -0.03 0.43 0.12 0.28 -1.14 0.00 0.00 176.83 176.49 3gdx h SER 95 N 0.80 0.20 0.66 3.07 0.02 -0.72 0.07 113.55 117.64 3gdx h SER 95 Ca 0.32 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3gdx h SER 95 Cb 0.15 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.65 3gdx h SER 95 CO -0.16 0.14 -0.32 0.28 -1.14 0.00 0.00 176.83 175.63 3gdx h SER 96 N 0.24 -0.75 -0.96 3.07 0.02 -0.03 -1.87 113.55 113.28 3gdx h SER 96 Ca 0.07 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 3gdx h SER 96 Cb -0.02 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 3gdx h SER 96 CO -0.03 -0.40 0.61 0.40 -1.14 0.00 0.00 176.83 176.27 3gdx h ILE 97 N -1.12 0.91 -0.66 3.27 2.04 -0.22 0.71 117.51 122.43 3gdx h ILE 97 Ca -0.09 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3gdx h ILE 97 Cb 0.72 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3gdx h ILE 97 CO 0.15 0.17 0.18 -1.13 0.00 0.00 0.00 178.15 177.51 3gdx h ASN 98 N 0.90 0.96 -0.07 1.72 -0.73 -0.94 -2.93 115.58 114.49 3gdx h ASN 98 Ca 0.47 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.43 3gdx h ASN 98 Cb 0.53 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 3gdx h ASN 98 CO -0.24 0.92 -0.08 0.15 -0.37 0.00 0.00 177.43 177.81 3gdx h PHE 99 N 0.98 0.22 -0.36 0.67 3.57 -0.07 -3.23 116.94 118.73 3gdx h PHE 99 Ca 0.21 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3gdx h PHE 99 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3gdx h PHE 99 CO 0.02 0.64 0.25 -0.07 -2.23 0.00 0.00 178.31 176.92 3gdx h LEU 100 N -0.26 0.13 -0.27 0.59 3.38 -1.06 0.06 115.31 117.88 3gdx h LEU 100 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gdx h LEU 100 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3gdx h LEU 100 CO 0.02 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.98 3gdx n THR 101 N -4.46 1.21 1.25 0.22 -2.24 -1.11 -1.80 114.28 107.34 3gdx n THR 101 Ca 0.05 0.35 0.14 0.00 -2.27 0.00 0.00 64.05 62.33 3gdx n THR 101 Cb 0.33 -1.22 0.70 0.00 -2.10 0.00 0.00 70.33 68.03 3gdx n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gdx n ARG 102 N -1.72 0.26 -3.26 -0.78 1.74 0.01 -4.66 116.66 108.24 3gdx n ARG 102 Ca 0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 3gdx n ARG 102 Cb 0.13 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 3gdx n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gdx s VAL 103 N -2.74 5.16 0.05 1.55 1.01 -0.74 -5.00 120.40 119.69 3gdx s VAL 103 Ca 0.23 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 3gdx s VAL 103 Cb 0.20 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3gdx s VAL 103 CO 0.48 0.31 1.89 -0.55 0.00 0.00 0.00 175.10 177.23 3gdx s SER 104 N 0.66 6.47 0.00 3.32 0.15 -1.26 -1.41 113.70 121.63 3gdx s SER 104 Ca 0.28 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.57 3gdx s SER 104 Cb -0.16 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3gdx s SER 104 CO 0.12 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.15 3gdx n GLY 105 N 4.40 2.04 3.65 9.45 0.00 -1.26 -3.74 105.19 119.72 3gdx n GLY 105 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3gdx n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdx s ILE 106 N -2.01 5.34 0.03 -0.61 1.01 -0.50 -4.70 121.20 119.76 3gdx s ILE 106 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3gdx s ILE 106 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3gdx s ILE 106 CO 0.00 0.32 0.02 0.61 0.00 0.00 0.00 174.94 175.89 3gdx n GLY 107 N 4.43 3.33 0.23 6.18 0.00 -1.26 -4.46 105.19 113.64 3gdx n GLY 107 Ca -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.67 3gdx n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdx h PRO 108 N 0.00 0.52 0.63 1.61 0.11 -1.87 0.11 132.00 133.11 3gdx h PRO 108 Ca -0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3gdx h PRO 108 Cb 0.08 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3gdx h PRO 108 CO 0.04 0.34 -0.30 1.03 -0.21 0.00 0.00 178.00 178.89 3gdx h SER 109 N 0.53 -0.72 -0.28 -2.05 0.87 -1.94 -1.58 113.55 108.38 3gdx h SER 109 Ca 0.28 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3gdx h SER 109 Cb 0.25 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3gdx h SER 109 CO -0.22 -0.42 0.14 0.00 -0.53 0.00 0.00 176.83 175.80 3gdx h ALA 110 N -0.74 1.65 0.15 6.23 0.00 -1.93 -1.19 119.26 123.44 3gdx h ALA 110 Ca -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gdx h ALA 110 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gdx h ALA 110 CO 0.14 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 3gdx h ALA 111 N 1.71 -0.21 -0.07 0.00 0.00 -0.67 -1.38 119.26 118.65 3gdx h ALA 111 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3gdx h ALA 111 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gdx h ALA 111 CO -0.01 -0.53 -0.06 -0.09 0.00 0.00 0.00 179.25 178.56 3gdx h ARG 112 N -0.38 0.10 0.42 0.00 2.43 -0.97 -2.29 114.38 113.69 3gdx h ARG 112 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3gdx h ARG 112 Cb 0.30 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3gdx h ARG 112 CO 0.03 0.17 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.24 3gdx h LYS 113 N 0.10 -0.54 -0.71 0.20 3.64 -0.88 -2.54 116.57 115.82 3gdx h LYS 113 Ca 0.02 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 3gdx h LYS 113 Cb 0.17 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.02 3gdx h LYS 113 CO 0.01 -0.24 0.22 0.74 -2.27 0.00 0.00 179.45 177.91 3gdx h PHE 114 N -0.96 0.35 -0.67 1.91 0.04 -1.10 0.20 116.94 116.71 3gdx h PHE 114 Ca -0.06 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.80 3gdx h PHE 114 Cb 0.56 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 3gdx h PHE 114 CO 0.02 -0.02 0.44 0.28 -0.60 0.00 0.00 178.31 178.43 3gdx h VAL 115 N 0.33 1.05 0.00 -0.55 2.07 -1.34 0.45 116.25 118.26 3gdx h VAL 115 Ca 0.39 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3gdx h VAL 115 Cb 0.63 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3gdx h VAL 115 CO -0.45 0.13 0.00 0.47 0.02 0.00 0.00 177.57 177.75 3gdx n ASP 116 N -4.47 0.00 -0.15 0.57 8.00 0.67 -0.93 116.55 120.24 3gdx n ASP 116 Ca 0.09 -0.37 0.08 0.00 0.71 0.00 0.00 54.79 55.31 3gdx n ASP 116 Cb 0.19 -0.02 0.12 0.00 -0.02 0.00 0.00 41.12 41.39 3gdx n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gdx n GLU 117 N -1.02 1.10 -0.72 -1.24 1.02 0.15 -4.97 120.64 114.96 3gdx n GLU 117 Ca 0.09 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 3gdx n GLU 117 Cb 0.05 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3gdx n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdx n GLY 118 N -1.22 0.43 3.49 0.62 0.00 -0.10 -4.92 105.19 103.50 3gdx n GLY 118 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3gdx n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdx s ILE 119 N -2.29 4.25 0.00 -0.61 1.01 -0.81 -4.74 121.20 118.00 3gdx s ILE 119 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3gdx s ILE 119 Cb 0.00 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 37.63 3gdx s ILE 119 CO 0.00 -1.65 0.47 2.29 0.00 0.00 0.00 174.94 176.05 3gdx n LYS 120 N 7.93 0.48 -4.46 2.79 2.85 -1.26 -3.08 118.16 123.41 3gdx n LYS 120 Ca 0.14 -0.58 -0.22 0.00 -1.05 0.00 0.00 58.31 56.60 3gdx n LYS 120 Cb 0.48 -0.68 -0.11 0.00 -0.65 0.00 0.00 35.03 34.07 3gdx n LYS 120 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3gdx s THR 121 N -0.21 1.28 0.26 0.58 -4.23 -1.26 -4.81 115.64 107.24 3gdx s THR 121 Ca 0.00 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3gdx s THR 121 Cb 0.00 -2.76 0.25 0.00 1.34 0.00 0.00 72.50 71.33 3gdx s THR 121 CO 0.00 -0.04 1.88 0.25 -0.54 0.00 0.00 174.62 176.17 3gdx h LEU 122 N 2.12 1.01 -0.78 4.79 5.85 -2.00 -2.03 115.31 124.27 3gdx h LEU 122 Ca -0.41 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 3gdx h LEU 122 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3gdx h LEU 122 CO 0.70 0.66 -0.13 -0.08 -0.34 0.00 0.00 178.44 179.25 3gdx h GLU 123 N 1.16 0.78 -0.22 1.25 4.81 -2.00 -2.66 114.58 117.70 3gdx h GLU 123 Ca 0.40 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3gdx h GLU 123 Cb 0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3gdx h GLU 123 CO -0.15 0.88 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.44 3gdx h ASP 124 N 0.70 0.34 -0.29 1.04 3.32 -1.77 -2.78 116.42 116.97 3gdx h ASP 124 Ca 0.11 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3gdx h ASP 124 Cb 0.62 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3gdx h ASP 124 CO 0.04 0.50 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.74 3gdx h LEU 125 N 0.33 0.73 -0.29 1.55 3.38 -1.15 -2.71 115.31 117.16 3gdx h LEU 125 Ca 0.07 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3gdx h LEU 125 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gdx h LEU 125 CO 0.02 1.04 0.17 0.03 0.09 0.00 0.00 178.44 179.79 3gdx h ARG 126 N 0.43 0.40 0.00 1.13 3.08 -1.26 -0.30 114.38 117.86 3gdx h ARG 126 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gdx h ARG 126 Cb 0.82 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3gdx h ARG 126 CO 0.07 0.31 0.00 1.57 -1.07 0.00 0.00 179.97 180.85 3gdx h LYS 127 N 0.37 0.00 -0.35 0.04 2.10 -1.56 -2.89 116.57 114.28 3gdx h LYS 127 Ca 0.10 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.63 3gdx h LYS 127 Cb 0.02 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.28 3gdx h LYS 127 CO -0.02 0.00 -0.00 0.09 -2.00 0.00 0.00 179.45 177.52 3gdx n ASN 128 N -2.71 3.13 0.25 7.07 3.02 -0.77 -4.68 115.26 120.56 3gdx n ASN 128 Ca 0.02 -3.45 0.18 0.00 -0.03 0.00 0.00 54.58 51.30 3gdx n ASN 128 Cb 0.30 -0.61 0.90 0.00 -0.61 0.00 0.00 39.78 39.76 3gdx n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3gdx h GLU 129 N 1.32 0.00 0.00 3.52 4.81 -0.86 0.11 114.58 123.48 3gdx h GLU 129 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3gdx h GLU 129 Cb 1.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.02 3gdx h GLU 129 CO 0.36 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.02 3gdx h ASP 130 N 0.00 0.00 -0.58 1.04 2.03 -1.86 -2.51 116.42 114.54 3gdx h ASP 130 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 3gdx h ASP 130 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3gdx h ASP 130 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 3gdx n LYS 131 N -3.01 3.47 -4.16 4.15 5.02 0.38 -4.95 118.16 119.07 3gdx n LYS 131 Ca -0.01 -2.55 -0.31 0.00 -2.02 0.00 0.00 58.31 53.42 3gdx n LYS 131 Cb 0.16 -1.84 -0.08 0.00 -0.02 0.00 0.00 35.03 33.25 3gdx n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gdx s LEU 132 N -1.71 3.48 0.87 -0.35 1.43 -0.95 -5.12 118.68 116.33 3gdx s LEU 132 Ca 0.46 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 3gdx s LEU 132 Cb 0.30 -2.17 0.14 0.00 0.03 0.00 0.00 46.19 44.48 3gdx s LEU 132 CO 0.22 0.20 1.23 0.54 0.23 0.00 0.00 176.35 178.76 3gdx s ASN 133 N -2.15 3.87 0.22 2.29 2.20 -1.26 -4.80 114.94 115.31 3gdx s ASN 133 Ca 0.25 0.47 -0.08 0.00 -0.94 0.00 0.00 52.86 52.56 3gdx s ASN 133 Cb -0.12 -0.76 0.34 0.00 -2.00 0.00 0.00 41.25 38.72 3gdx s ASN 133 CO 0.17 -2.27 1.73 -0.74 -2.94 0.00 0.00 177.10 173.05 3gdx h HIS 134 N -1.28 0.38 0.63 1.54 -0.00 -1.98 -1.81 115.15 112.62 3gdx h HIS 134 Ca -0.45 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 3gdx h HIS 134 Cb 1.28 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 3gdx h HIS 134 CO -0.39 0.05 -0.41 1.25 -0.00 0.00 0.00 177.93 178.43 3gdx h HIS 135 N 0.38 -1.08 -0.18 5.26 -0.00 -1.90 -2.08 115.15 115.54 3gdx h HIS 135 Ca 0.35 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.76 3gdx h HIS 135 Cb 0.49 0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 3gdx h HIS 135 CO -0.19 -0.61 0.17 1.96 -0.00 0.00 0.00 177.93 179.26 3gdx h GLN 136 N -0.98 0.00 -0.06 5.26 4.20 -1.60 0.08 115.11 122.01 3gdx h GLN 136 Ca -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3gdx h GLN 136 Cb 0.80 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 3gdx h GLN 136 CO 0.06 0.00 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.12 3gdx h ARG 137 N 0.00 0.12 -0.43 1.46 2.43 -0.77 -1.26 114.38 115.92 3gdx h ARG 137 Ca 0.09 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3gdx h ARG 137 Cb 0.42 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3gdx h ARG 137 CO -0.00 0.44 -0.21 0.82 -1.51 0.00 0.00 179.97 179.51 3gdx h ILE 138 N -0.21 1.27 -0.21 1.20 1.08 -0.62 -1.05 117.51 118.97 3gdx h ILE 138 Ca 0.02 -1.34 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 3gdx h ILE 138 Cb 0.39 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 3gdx h ILE 138 CO 0.01 0.46 -0.04 1.23 -0.69 0.00 0.00 178.15 179.11 3gdx h GLY 139 N 0.94 0.16 0.89 5.37 0.00 -0.94 -0.73 103.07 108.76 3gdx h GLY 139 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gdx h GLY 139 CO 0.06 -0.08 0.01 -2.00 0.00 0.00 0.00 176.54 174.54 3gdx h LEU 140 N 0.01 0.03 -0.69 3.11 5.85 -1.04 -0.21 115.31 122.36 3gdx h LEU 140 Ca 0.10 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.86 3gdx h LEU 140 Cb 0.15 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 3gdx h LEU 140 CO -0.21 0.13 -0.04 0.50 -0.34 0.00 0.00 178.44 178.47 3gdx h LYS 141 N -0.08 0.07 -0.62 1.25 3.64 -0.72 -1.09 116.57 119.03 3gdx h LYS 141 Ca 0.01 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 3gdx h LYS 141 Cb 0.11 -0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 31.78 3gdx h LYS 141 CO -0.00 0.05 0.22 0.66 -2.27 0.00 0.00 179.45 178.11 3gdx n TYR 142 N -5.35 2.03 -0.23 1.91 4.01 -0.32 -4.73 117.16 114.47 3gdx n TYR 142 Ca 0.11 -1.35 0.04 0.00 -0.16 0.00 0.00 57.90 56.54 3gdx n TYR 142 Cb 0.40 -0.63 0.14 0.00 -0.31 0.00 0.00 39.34 38.94 3gdx n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3gdx h PHE 143 N 1.90 0.06 0.77 -0.72 3.57 0.33 -1.40 116.94 121.46 3gdx h PHE 143 Ca 0.28 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 3gdx h PHE 143 Cb 2.14 0.08 0.01 0.00 2.79 0.00 0.00 35.95 40.97 3gdx h PHE 143 CO 1.16 -0.16 -0.37 0.78 -2.23 0.00 0.00 178.31 177.49 3gdx h GLY 144 N 0.16 -1.08 -0.14 2.40 0.00 -1.85 -3.24 103.07 99.33 3gdx h GLY 144 Ca 0.37 0.40 0.15 0.00 0.00 0.00 0.00 47.33 48.25 3gdx h GLY 144 CO -0.55 -0.39 0.05 -0.55 0.00 0.00 0.00 176.54 175.09 3gdx h ASP 145 N -1.13 -0.22 0.08 0.19 3.32 -1.82 -1.19 116.42 115.66 3gdx h ASP 145 Ca -0.11 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3gdx h ASP 145 Cb 0.79 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3gdx h ASP 145 CO 0.17 -0.11 0.00 -0.26 -1.72 0.00 0.00 179.24 177.32 3gdx h PHE 146 N 0.15 0.00 0.00 4.55 0.04 -1.30 0.13 116.94 120.51 3gdx h PHE 146 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 3gdx h PHE 146 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3gdx h PHE 146 CO -0.35 0.00 -0.66 0.93 -0.60 0.00 0.00 178.31 177.63 3gdx h GLU 147 N 0.00 0.00 -7.17 1.51 4.39 -1.24 -3.47 114.58 108.60 3gdx h GLU 147 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3gdx h GLU 147 Cb 0.04 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3gdx h GLU 147 CO 0.00 0.00 0.38 0.15 -1.16 0.00 0.00 179.01 178.38 3gdx s LYS 148 N -3.21 3.68 0.41 2.33 1.02 0.03 -5.06 119.74 118.93 3gdx s LYS 148 Ca 0.05 1.12 -0.01 0.00 0.02 0.00 0.00 55.97 57.14 3gdx s LYS 148 Cb 0.12 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 3gdx s LYS 148 CO 0.73 -0.51 0.64 1.03 -0.92 0.00 0.00 175.35 176.33 3gdx s ARG 149 N -3.93 3.42 -0.26 1.68 1.81 -1.26 -4.89 118.95 115.52 3gdx s ARG 149 Ca 0.62 -0.20 -0.05 0.00 -1.72 0.00 0.00 55.73 54.38 3gdx s ARG 149 Cb -0.13 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 3gdx s ARG 149 CO 0.31 -0.04 0.02 0.42 -0.68 0.00 0.00 175.30 175.33 3gdx s ILE 150 N -2.49 3.66 0.39 1.52 1.01 0.78 -4.91 121.20 121.16 3gdx s ILE 150 Ca 0.44 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.22 3gdx s ILE 150 Cb -0.10 -2.79 -0.10 0.00 0.01 0.00 0.00 42.46 39.49 3gdx s ILE 150 CO 0.39 0.25 1.38 -2.84 0.00 0.00 0.00 174.94 174.12 3gdx s PRO 151 N 1.48 4.05 0.48 2.79 0.02 -1.26 -0.46 135.00 142.11 3gdx s PRO 151 Ca 0.04 2.35 0.24 0.00 0.02 0.00 0.00 61.00 63.65 3gdx s PRO 151 Cb -0.16 -2.88 1.29 0.00 0.02 0.00 0.00 34.50 32.77 3gdx s PRO 151 CO -0.00 -0.50 1.88 -0.09 -0.33 0.00 0.00 177.00 177.96 3gdx h ARG 152 N 2.87 0.18 -0.75 5.54 2.43 -1.58 0.10 114.38 123.18 3gdx h ARG 152 Ca -0.50 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3gdx h ARG 152 Cb 1.24 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3gdx h ARG 152 CO 0.63 0.12 0.43 1.49 -1.51 0.00 0.00 179.97 181.14 3gdx h GLU 153 N 0.19 1.03 -0.30 0.20 4.81 -1.89 0.31 114.58 118.94 3gdx h GLU 153 Ca 0.43 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.38 3gdx h GLU 153 Cb 1.39 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3gdx h GLU 153 CO -0.09 0.75 -0.48 0.93 -0.73 0.00 0.00 179.01 179.39 3gdx h GLU 154 N 1.03 0.86 -0.85 1.92 5.08 -1.21 -2.37 114.58 119.05 3gdx h GLU 154 Ca 0.27 -0.52 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3gdx h GLU 154 Cb 0.00 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 3gdx h GLU 154 CO -0.05 1.16 0.48 0.52 -1.00 0.00 0.00 179.01 180.12 3gdx h MET 155 N 0.64 0.74 -0.50 2.33 2.86 -0.53 0.17 114.93 120.64 3gdx h MET 155 Ca 0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3gdx h MET 155 Cb 1.09 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3gdx h MET 155 CO 0.11 0.49 0.09 -0.07 1.06 0.00 0.00 176.91 178.59 3gdx h LEU 156 N 0.76 0.73 -0.37 1.22 3.38 -0.12 0.24 115.31 121.15 3gdx h LEU 156 Ca 0.43 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3gdx h LEU 156 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gdx h LEU 156 CO -0.28 0.74 -0.08 1.56 0.09 0.00 0.00 178.44 180.47 3gdx h GLN 157 N 0.75 0.70 -0.57 1.13 4.20 -0.35 -2.49 115.11 118.48 3gdx h GLN 157 Ca 0.16 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 3gdx h GLN 157 Cb 0.32 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3gdx h GLN 157 CO 0.00 0.85 0.16 0.52 -0.67 0.00 0.00 178.83 179.69 3gdx h MET 158 N 0.50 0.91 -0.22 1.46 2.86 -0.40 -2.25 114.93 117.78 3gdx h MET 158 Ca 0.09 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3gdx h MET 158 Cb 0.59 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 3gdx h MET 158 CO 0.03 0.83 -0.13 0.37 1.06 0.00 0.00 176.91 179.07 3gdx h GLN 159 N 0.82 -0.11 -0.06 1.72 4.15 -0.86 -1.05 115.11 119.71 3gdx h GLN 159 Ca 0.18 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.65 3gdx h GLN 159 Cb 0.31 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 3gdx h GLN 159 CO -0.00 -0.07 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.07 3gdx h ASP 160 N -0.12 -0.97 -0.10 -0.69 3.32 -1.11 0.18 116.42 116.94 3gdx h ASP 160 Ca 0.12 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.35 3gdx h ASP 160 Cb 0.30 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3gdx h ASP 160 CO -0.30 -0.37 -0.21 0.40 -1.72 0.00 0.00 179.24 177.05 3gdx h ILE 161 N -0.43 0.49 0.81 0.35 2.04 -1.03 -1.53 117.51 118.21 3gdx h ILE 161 Ca 0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3gdx h ILE 161 Cb 0.55 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3gdx h ILE 161 CO -0.30 0.00 -0.48 0.58 0.00 0.00 0.00 178.15 177.94 3gdx h VAL 162 N -0.28 0.03 -0.95 1.67 2.07 -0.82 -0.19 116.25 117.78 3gdx h VAL 162 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 3gdx h VAL 162 Cb 0.41 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 3gdx h VAL 162 CO -0.26 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 177.82 3gdx h LEU 163 N -1.21 0.75 -0.31 2.57 4.07 -0.92 0.11 115.31 120.37 3gdx h LEU 163 Ca -0.11 0.08 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 3gdx h LEU 163 Cb 0.96 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 3gdx h LEU 163 CO 0.12 0.32 -0.41 0.78 -1.08 0.00 0.00 178.44 178.17 3gdx h ASN 164 N 0.78 0.90 -0.17 -0.43 2.35 -1.15 -1.55 115.58 116.31 3gdx h ASN 164 Ca 0.52 -0.50 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3gdx h ASN 164 Cb 0.71 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3gdx h ASN 164 CO -0.34 1.22 -0.35 -0.33 -1.65 0.00 0.00 177.43 175.98 3gdx h GLU 165 N 0.61 0.69 -0.31 0.81 4.39 -0.15 -2.01 114.58 118.61 3gdx h GLU 165 Ca 0.04 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 3gdx h GLU 165 Cb 1.01 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3gdx h GLU 165 CO 0.10 0.94 0.05 0.28 -1.16 0.00 0.00 179.01 179.21 3gdx h VAL 166 N 0.58 1.23 -0.90 3.13 2.07 -0.79 -2.58 116.25 119.00 3gdx h VAL 166 Ca 0.06 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 66.90 3gdx h VAL 166 Cb 0.87 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3gdx h VAL 166 CO 0.08 0.27 0.58 0.50 0.02 0.00 0.00 177.57 179.01 3gdx h LYS 167 N 0.35 0.73 0.00 1.57 3.64 -1.03 -0.96 116.57 120.86 3gdx h LYS 167 Ca 0.10 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3gdx h LYS 167 Cb 0.35 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3gdx h LYS 167 CO 0.01 0.48 -0.32 0.87 -2.27 0.00 0.00 179.45 178.22 3gdx h LYS 168 N 0.75 0.00 0.06 1.90 1.57 -0.98 -2.84 116.57 117.03 3gdx h LYS 168 Ca 0.44 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.97 3gdx h LYS 168 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 3gdx h LYS 168 CO -0.21 0.32 -1.09 0.28 -0.57 0.00 0.00 179.45 178.18 3gdx h VAL 169 N 0.00 1.38 -0.66 0.50 2.07 -0.95 -3.46 116.25 115.13 3gdx h VAL 169 Ca -0.00 -2.56 0.21 0.00 0.82 0.00 0.00 66.70 65.17 3gdx h VAL 169 Cb 0.73 2.59 -0.24 0.00 -1.52 0.00 0.00 31.29 32.85 3gdx h VAL 169 CO 0.04 0.77 0.28 -0.62 0.02 0.00 0.00 177.57 178.06 3gdx s ASP 170 N -7.21 -0.43 0.27 0.57 -1.08 -0.93 -5.03 116.67 102.82 3gdx s ASP 170 Ca -0.07 0.52 0.16 0.00 -0.52 0.00 0.00 52.55 52.65 3gdx s ASP 170 Cb 0.07 1.47 0.88 0.00 -1.46 0.00 0.00 42.92 43.88 3gdx s ASP 170 CO 0.89 -0.08 1.47 -1.54 0.52 0.00 0.00 175.17 176.43 3gdx n SER 171 N 4.97 0.42 -0.33 -0.34 3.41 -1.10 -1.63 113.62 119.02 3gdx n SER 171 Ca -0.08 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3gdx n SER 171 Cb 0.53 -0.70 0.37 0.00 -0.26 0.00 0.00 64.21 64.16 3gdx n SER 171 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gdx n GLU 172 N -2.08 1.08 -2.46 4.33 1.02 -1.26 -4.89 120.64 116.39 3gdx n GLU 172 Ca -0.01 -0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 56.10 3gdx n GLU 172 Cb 0.09 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3gdx n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3gdx s TYR 173 N -2.38 3.16 -0.11 -0.32 2.02 -0.64 -4.41 117.35 114.66 3gdx s TYR 173 Ca 0.27 1.61 -0.00 0.00 -0.37 0.00 0.00 57.07 58.58 3gdx s TYR 173 Cb 0.20 -3.21 0.02 0.00 -0.40 0.00 0.00 41.96 38.57 3gdx s TYR 173 CO 0.48 -0.89 -0.09 0.42 -1.57 0.00 0.00 175.55 173.91 3gdx s ILE 174 N -1.61 1.09 -0.20 2.71 1.01 -0.65 -4.86 121.20 118.70 3gdx s ILE 174 Ca 0.59 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 3gdx s ILE 174 Cb -0.24 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 3gdx s ILE 174 CO 0.30 0.38 -0.09 0.00 0.00 0.00 0.00 174.94 175.52 3gdx s ALA 175 N 1.56 2.67 -0.18 9.38 0.00 -1.26 -1.91 121.76 132.01 3gdx s ALA 175 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3gdx s ALA 175 Cb -0.13 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3gdx s ALA 175 CO -0.07 -0.31 -0.17 0.99 0.00 0.00 0.00 175.76 176.20 3gdx s THR 176 N 1.27 2.35 -0.24 0.00 2.01 -0.44 -4.92 115.64 115.68 3gdx s THR 176 Ca 0.03 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 3gdx s THR 176 Cb -0.14 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3gdx s THR 176 CO -0.04 0.52 1.01 -0.69 -0.69 0.00 0.00 174.62 174.72 3gdx s VAL 177 N 1.26 4.70 0.00 3.82 1.01 -1.26 -0.20 120.40 129.73 3gdx s VAL 177 Ca 0.04 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.96 3gdx s VAL 177 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3gdx s VAL 177 CO -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 174.83 3gdx n GLY 179 N 5.00 0.48 0.33 0.00 0.00 -0.40 -1.67 105.19 108.92 3gdx n GLY 179 Ca 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 46.02 45.37 3gdx n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gdx h SER 180 N 0.00 0.00 -0.13 1.61 4.64 -1.87 -1.33 113.55 116.47 3gdx h SER 180 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gdx h SER 180 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3gdx h SER 180 CO 0.00 0.00 0.04 0.15 -0.87 0.00 0.00 176.83 176.15 3gdx h PHE 181 N 0.00 0.08 0.00 4.77 3.57 -1.80 -1.35 116.94 122.21 3gdx h PHE 181 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3gdx h PHE 181 Cb 0.38 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3gdx h PHE 181 CO 0.00 0.04 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.87 3gdx h ARG 182 N 0.11 0.00 0.00 1.11 2.43 -0.32 -1.23 114.38 116.48 3gdx h ARG 182 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3gdx h ARG 182 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3gdx h ARG 182 CO -0.06 0.16 0.00 0.54 -1.51 0.00 0.00 179.97 179.10 3gdx n ARG 183 N -3.56 0.95 -0.84 0.20 1.74 -0.65 -4.56 116.66 109.95 3gdx n ARG 183 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3gdx n ARG 183 Cb 0.30 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3gdx n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdx n GLY 184 N 0.77 0.59 3.69 -0.13 0.00 -0.46 -3.58 105.19 106.07 3gdx n GLY 184 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3gdx n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdx n ALA 185 N 0.51 1.17 0.49 4.61 0.00 -0.60 -4.91 120.51 121.76 3gdx n ALA 185 Ca 0.00 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.80 3gdx n ALA 185 Cb 0.00 -2.25 0.43 0.00 0.00 0.00 0.00 19.45 17.63 3gdx n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3gdx h GLU 186 N 1.89 0.00 -2.59 0.00 4.39 -1.95 -3.44 114.58 112.88 3gdx h GLU 186 Ca -0.48 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 3gdx h GLU 186 Cb 1.30 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.77 3gdx h GLU 186 CO 0.59 0.00 -0.01 -1.54 -1.16 0.00 0.00 179.01 176.88 3gdx s SER 187 N -4.70 -0.43 0.09 1.42 1.04 -1.26 -1.59 113.70 108.28 3gdx s SER 187 Ca 0.07 0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.89 3gdx s SER 187 Cb 0.10 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3gdx s SER 187 CO 0.53 -0.59 -0.13 -0.44 0.98 0.00 0.00 173.24 173.59 3gdx s SER 188 N -1.50 1.76 0.26 7.02 0.01 0.40 -4.88 113.70 116.77 3gdx s SER 188 Ca -0.10 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.51 3gdx s SER 188 Cb -0.02 -0.05 0.32 0.00 0.21 0.00 0.00 66.02 66.48 3gdx s SER 188 CO 0.04 -0.13 1.60 1.23 0.41 0.00 0.00 173.24 176.39 3gdx h GLY 189 N 3.88 0.16 0.00 3.44 0.00 -1.90 0.22 103.07 108.88 3gdx h GLY 189 Ca -0.40 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3gdx h GLY 189 CO 0.46 0.17 0.00 2.09 0.00 0.00 0.00 176.54 179.27 3gdx n ASP 190 N -3.87 0.00 -4.23 0.19 5.75 -1.26 -4.74 116.55 108.39 3gdx n ASP 190 Ca -0.02 -0.94 -0.33 0.00 -0.01 0.00 0.00 54.79 53.49 3gdx n ASP 190 Cb 0.60 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.53 3gdx n ASP 190 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3gdx s MET 191 N -1.81 3.16 -0.17 0.11 -2.45 -1.14 -4.87 119.30 112.14 3gdx s MET 191 Ca 0.00 -0.77 -0.01 0.00 -1.25 0.00 0.00 55.69 53.66 3gdx s MET 191 Cb 0.00 -2.61 -0.01 0.00 1.25 0.00 0.00 34.83 33.46 3gdx s MET 191 CO 0.00 -0.03 -0.11 -0.51 1.05 0.00 0.00 175.02 175.42 3gdx s ASP 192 N 0.92 4.00 -0.16 1.11 1.01 -1.26 -1.44 116.67 120.84 3gdx s ASP 192 Ca -0.04 -0.40 0.01 0.00 0.71 0.00 0.00 52.55 52.84 3gdx s ASP 192 Cb -0.15 -1.64 0.02 0.00 1.01 0.00 0.00 42.92 42.16 3gdx s ASP 192 CO -0.02 0.07 -0.20 -0.69 0.21 0.00 0.00 175.17 174.54 3gdx s VAL 193 N 0.91 2.00 0.01 -1.27 1.01 0.28 -0.13 120.40 123.22 3gdx s VAL 193 Ca -0.02 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 3gdx s VAL 193 Cb -0.15 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 3gdx s VAL 193 CO -0.00 0.53 0.48 -0.22 0.00 0.00 0.00 175.10 175.89 3gdx s LEU 194 N 1.18 4.47 -0.03 3.92 0.20 0.71 -0.37 118.68 128.76 3gdx s LEU 194 Ca 0.02 1.06 0.04 0.00 0.69 0.00 0.00 54.13 55.93 3gdx s LEU 194 Cb -0.14 -2.73 -0.00 0.00 -0.43 0.00 0.00 46.19 42.90 3gdx s LEU 194 CO -0.10 0.26 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.86 3gdx s LEU 195 N -0.83 1.88 0.08 -0.68 2.96 0.22 -1.33 118.68 120.99 3gdx s LEU 195 Ca 0.26 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3gdx s LEU 195 Cb -0.18 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3gdx s LEU 195 CO 0.15 0.13 -0.07 0.42 -1.32 0.00 0.00 176.35 175.66 3gdx s THR 196 N 0.05 0.64 -0.17 3.68 -4.23 -0.80 -1.22 115.64 113.59 3gdx s THR 196 Ca -0.02 -1.67 -0.18 0.00 -1.18 0.00 0.00 61.69 58.63 3gdx s THR 196 Cb -0.10 -1.35 0.05 0.00 1.34 0.00 0.00 72.50 72.44 3gdx s THR 196 CO 0.01 -0.72 0.51 -2.28 -0.54 0.00 0.00 174.62 171.59 3gdx s HIS 197 N -2.94 -0.54 0.54 3.99 2.46 -1.26 -1.64 115.29 115.90 3gdx s HIS 197 Ca 0.05 1.26 0.20 0.00 0.47 0.00 0.00 55.06 57.04 3gdx s HIS 197 Cb 0.01 0.20 1.39 0.00 -0.13 0.00 0.00 32.58 34.05 3gdx s HIS 197 CO -0.03 -0.31 2.14 -1.00 -2.47 0.00 0.00 174.74 173.07 3gdx h PRO 198 N 5.03 0.00 0.00 2.88 0.13 -1.99 -2.19 132.00 135.86 3gdx h PRO 198 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3gdx h PRO 198 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gdx h PRO 198 CO 0.22 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.44 3gdx n SER 199 N -4.38 0.00 -3.63 1.44 2.88 -1.26 -4.43 113.62 104.24 3gdx n SER 199 Ca -0.01 -0.77 -0.29 0.00 -1.33 0.00 0.00 58.87 56.48 3gdx n SER 199 Cb 0.17 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 3gdx n SER 199 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3gdx s PHE 200 N -2.00 0.86 0.47 0.66 5.36 -0.82 -0.79 117.98 121.71 3gdx s PHE 200 Ca 0.28 -1.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 3gdx s PHE 200 Cb 0.13 -1.17 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 3gdx s PHE 200 CO 0.21 -0.79 0.07 0.95 -1.46 0.00 0.00 175.22 174.20 3gdx s THR 201 N 1.91 0.84 -1.01 0.12 -4.23 -0.50 -1.98 115.64 110.78 3gdx s THR 201 Ca 0.07 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3gdx s THR 201 Cb -0.17 -2.22 0.11 0.00 1.34 0.00 0.00 72.50 71.57 3gdx s THR 201 CO -0.27 0.00 1.41 -1.54 -0.54 0.00 0.00 174.62 173.68 3gdx n SER 202 N -1.33 0.00 -0.03 3.99 3.41 -1.26 -2.61 113.62 115.79 3gdx n SER 202 Ca -0.13 0.49 -0.08 0.00 -0.26 0.00 0.00 58.87 58.89 3gdx n SER 202 Cb 0.66 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 3gdx n SER 202 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gdx n GLU 203 N -1.49 0.64 -3.61 4.33 -0.58 -1.26 -5.04 120.64 113.62 3gdx n GLU 203 Ca 0.03 0.24 -0.03 0.00 -0.42 0.00 0.00 57.16 56.99 3gdx n GLU 203 Cb 0.15 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.25 3gdx n GLU 203 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3gdx s SER 204 N -5.95 -0.14 -0.68 1.62 1.04 -1.07 -5.05 113.70 103.47 3gdx s SER 204 Ca -0.05 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.34 3gdx s SER 204 Cb 0.08 0.20 0.27 0.00 0.10 0.00 0.00 66.02 66.67 3gdx s SER 204 CO 0.82 -0.35 0.87 0.41 0.98 0.00 0.00 173.24 175.97 3gdx n THR 205 N -0.28 2.85 0.00 2.02 -1.04 -1.26 -1.41 114.28 115.15 3gdx n THR 205 Ca -0.04 -5.37 0.00 0.00 -2.04 0.00 0.00 64.05 56.60 3gdx n THR 205 Cb 0.60 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3gdx n THR 205 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gdx n LYS 206 N 0.71 0.00 -3.64 -2.82 5.02 0.03 -4.41 118.16 113.05 3gdx n LYS 206 Ca 0.30 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 3gdx n LYS 206 Cb 0.40 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.06 3gdx n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gdx s GLN 207 N -1.64 0.47 0.78 1.97 -0.21 -1.24 -5.03 119.66 114.76 3gdx s GLN 207 Ca 0.00 0.77 -0.03 0.00 0.02 0.00 0.00 55.36 56.12 3gdx s GLN 207 Cb 0.00 0.11 0.16 0.00 1.00 0.00 0.00 33.01 34.28 3gdx s GLN 207 CO 0.00 -0.09 1.08 -1.25 -2.12 0.00 0.00 175.29 172.90 3gdx s PRO 208 N 1.26 1.35 -0.65 2.91 0.04 -1.26 -4.39 135.00 134.25 3gdx s PRO 208 Ca -0.08 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 59.84 3gdx s PRO 208 Cb -0.04 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3gdx s PRO 208 CO -0.15 -1.72 0.00 1.63 0.04 0.00 0.00 177.00 176.80 3gdx n LYS 209 N -3.04 -1.77 -0.15 4.56 5.02 -1.26 -4.84 118.16 116.67 3gdx n LYS 209 Ca 0.17 0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 57.04 3gdx n LYS 209 Cb 0.61 -4.78 0.05 0.00 -0.02 0.00 0.00 35.03 30.88 3gdx n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gdx h LEU 210 N 0.00 -0.27 0.07 -0.35 3.38 -1.91 0.93 115.31 117.16 3gdx h LEU 210 Ca -0.13 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gdx h LEU 210 Cb 0.90 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gdx h LEU 210 CO 0.18 -0.09 -0.03 0.25 0.09 0.00 0.00 178.44 178.84 3gdx h LEU 211 N 0.08 -0.08 -0.68 1.67 5.85 -1.88 -3.29 115.31 116.98 3gdx h LEU 211 Ca 0.24 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.64 3gdx h LEU 211 Cb 0.37 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.29 3gdx h LEU 211 CO -0.43 0.44 -0.22 -0.74 -0.34 0.00 0.00 178.44 177.15 3gdx h HIS 212 N -0.62 -0.51 -0.62 1.25 2.76 -1.77 0.81 115.15 116.44 3gdx h HIS 212 Ca -0.01 0.07 0.11 0.00 -2.20 0.00 0.00 60.37 58.33 3gdx h HIS 212 Cb 0.53 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.78 3gdx h HIS 212 CO 0.10 -0.32 0.42 1.96 -1.30 0.00 0.00 177.93 178.78 3gdx h GLN 213 N -0.04 0.39 -0.02 5.26 4.20 -0.92 0.38 115.11 124.36 3gdx h GLN 213 Ca 0.31 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.83 3gdx h GLN 213 Cb 0.53 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.23 3gdx h GLN 213 CO -0.72 0.26 -0.67 0.28 -0.67 0.00 0.00 178.83 177.31 3gdx h VAL 214 N 0.41 1.39 -0.61 -0.54 2.07 -0.94 -1.63 116.25 116.39 3gdx h VAL 214 Ca 0.29 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 3gdx h VAL 214 Cb 0.60 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3gdx h VAL 214 CO -0.08 0.61 0.34 0.58 0.02 0.00 0.00 177.57 179.04 3gdx h VAL 215 N 0.04 1.19 -0.24 2.57 2.07 -0.57 -1.35 116.25 119.96 3gdx h VAL 215 Ca -0.08 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3gdx h VAL 215 Cb 1.36 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3gdx h VAL 215 CO 0.13 0.21 -0.13 -0.08 0.02 0.00 0.00 177.57 177.72 3gdx h GLU 216 N 0.83 -0.11 -0.67 1.57 4.81 -0.25 0.18 114.58 120.94 3gdx h GLU 216 Ca 0.22 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3gdx h GLU 216 Cb 0.03 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3gdx h GLU 216 CO -0.04 -0.07 0.27 0.37 -0.73 0.00 0.00 179.01 178.82 3gdx h GLN 217 N -0.11 1.00 0.00 1.92 5.75 -1.02 -0.79 115.11 121.87 3gdx h GLN 217 Ca 0.13 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 3gdx h GLN 217 Cb 0.31 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3gdx h GLN 217 CO -0.31 0.83 -0.51 -0.07 -2.65 0.00 0.00 178.83 176.13 3gdx h LEU 218 N 0.95 0.00 -0.12 -2.39 3.38 -0.72 -2.77 115.31 113.65 3gdx h LEU 218 Ca 0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3gdx h LEU 218 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gdx h LEU 218 CO -0.02 0.51 -0.53 1.56 0.09 0.00 0.00 178.44 180.05 3gdx h GLN 219 N 0.00 0.56 -0.61 1.13 4.20 -0.34 0.12 115.11 120.17 3gdx h GLN 219 Ca -0.01 -0.45 0.09 0.00 0.06 0.00 0.00 58.65 58.34 3gdx h GLN 219 Cb 0.91 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 3gdx h GLN 219 CO 0.07 1.08 0.41 -0.22 -0.67 0.00 0.00 178.83 179.49 3gdx h LYS 220 N 0.19 0.45 -0.77 1.46 3.64 -1.00 0.12 116.57 120.65 3gdx h LYS 220 Ca -0.03 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 3gdx h LYS 220 Cb 1.17 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 3gdx h LYS 220 CO 0.11 0.29 0.16 1.33 -2.27 0.00 0.00 179.45 179.08 3gdx n VAL 221 N -4.47 2.39 -2.30 2.00 0.24 -1.06 -4.90 118.33 110.22 3gdx n VAL 221 Ca 0.10 -1.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.04 3gdx n VAL 221 Cb 0.34 -0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 32.30 3gdx n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3gdx n HIS 222 N 0.09 -1.36 -0.08 6.34 8.25 0.40 -4.84 115.22 124.03 3gdx n HIS 222 Ca 0.30 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.60 3gdx n HIS 222 Cb 1.15 -2.51 -0.12 0.00 1.12 0.00 0.00 29.99 29.63 3gdx n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gdx h PHE 223 N 0.00 0.00 -3.40 4.41 3.57 -0.98 -3.43 116.94 117.10 3gdx h PHE 223 Ca -0.25 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.70 3gdx h PHE 223 Cb 1.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 3gdx h PHE 223 CO 0.67 1.12 0.18 0.42 -2.23 0.00 0.00 178.31 178.46 3gdx s ILE 224 N -2.25 4.87 -0.09 1.41 1.01 -0.61 -1.10 121.20 124.44 3gdx s ILE 224 Ca -0.21 1.66 0.08 0.00 0.00 0.00 0.00 60.65 62.17 3gdx s ILE 224 Cb -0.00 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 3gdx s ILE 224 CO 0.64 0.28 0.02 0.35 0.00 0.00 0.00 174.94 176.23 3gdx n THR 225 N 3.37 0.64 -3.81 2.92 -2.24 0.11 -4.47 114.28 110.81 3gdx n THR 225 Ca -0.00 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3gdx n THR 225 Cb 0.51 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 3gdx n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gdx s ASP 226 N -4.22 -0.02 -0.11 3.42 1.11 -1.21 -4.99 116.67 110.66 3gdx s ASP 226 Ca -0.05 -0.59 0.04 0.00 0.18 0.00 0.00 52.55 52.12 3gdx s ASP 226 Cb 0.03 0.41 0.00 0.00 1.07 0.00 0.00 42.92 44.43 3gdx s ASP 226 CO 0.37 -0.82 -0.23 -0.89 1.18 0.00 0.00 175.17 174.78 3gdx s THR 227 N -3.87 2.04 -0.14 -1.27 2.01 -1.26 -1.54 115.64 111.61 3gdx s THR 227 Ca 0.07 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 3gdx s THR 227 Cb 0.03 -1.77 -0.25 0.00 0.01 0.00 0.00 72.50 70.53 3gdx s THR 227 CO -0.09 0.55 0.31 0.18 -0.69 0.00 0.00 174.62 174.89 3gdx n LEU 228 N 3.61 2.62 -3.50 4.42 4.77 0.18 -4.89 117.00 124.21 3gdx n LEU 228 Ca -0.19 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3gdx n LEU 228 Cb 0.53 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 3gdx n LEU 228 CO 0.28 0.83 0.62 -0.94 -1.33 0.00 0.00 177.39 176.84 3gdx s SER 229 N -7.00 -0.44 -0.28 -1.43 1.04 -0.63 -4.52 113.70 100.45 3gdx s SER 229 Ca -0.24 0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 3gdx s SER 229 Cb 0.07 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.69 3gdx s SER 229 CO 0.74 -0.65 0.70 -0.75 0.98 0.00 0.00 173.24 174.26 3gdx s LYS 230 N -2.74 0.75 0.00 4.02 2.20 -1.26 -1.57 119.74 121.14 3gdx s LYS 230 Ca 0.02 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3gdx s LYS 230 Cb -0.01 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3gdx s LYS 230 CO -0.06 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 3gdx n GLY 231 N 3.81 4.79 0.26 5.54 0.00 -0.38 -5.01 105.19 114.19 3gdx n GLY 231 Ca -0.18 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.34 3gdx n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gdx h GLU 232 N 0.00 0.00 0.00 1.61 4.39 -2.02 -3.36 114.58 115.20 3gdx h GLU 232 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gdx h GLU 232 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gdx h GLU 232 CO 0.00 0.00 -0.49 0.25 -1.16 0.00 0.00 179.01 177.61 3gdx n THR 233 N -3.04 0.00 -4.68 1.13 -2.24 -1.26 -4.53 114.28 99.65 3gdx n THR 233 Ca 0.01 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3gdx n THR 233 Cb 0.35 0.28 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 3gdx n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gdx s LYS 234 N -1.00 2.05 -0.08 -0.78 2.20 -1.26 0.28 119.74 121.16 3gdx s LYS 234 Ca 0.00 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 3gdx s LYS 234 Cb 0.00 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.64 3gdx s LYS 234 CO 0.00 0.04 -0.19 0.12 -0.36 0.00 0.00 175.35 174.96 3gdx s PHE 235 N 0.67 2.61 -0.20 4.03 5.36 0.84 -1.25 117.98 130.04 3gdx s PHE 235 Ca -0.14 -0.60 -0.02 0.00 -0.96 0.00 0.00 56.93 55.21 3gdx s PHE 235 Cb -0.16 -1.68 0.06 0.00 -0.34 0.00 0.00 43.02 40.89 3gdx s PHE 235 CO 0.04 -0.14 0.01 -1.64 -1.46 0.00 0.00 175.22 172.02 3gdx s MET 236 N -0.11 0.94 0.00 10.12 -1.94 -0.61 -0.66 119.30 127.05 3gdx s MET 236 Ca -0.04 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 3gdx s MET 236 Cb -0.14 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.49 3gdx s MET 236 CO 0.04 -0.61 0.00 0.41 -0.01 0.00 0.00 175.02 174.85 3gdx n GLY 237 N 4.94 3.86 3.23 -0.03 0.00 -0.17 0.51 105.19 117.53 3gdx n GLY 237 Ca -0.10 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3gdx n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdx s VAL 238 N -1.62 1.57 0.23 1.61 1.01 -0.59 0.27 120.40 122.88 3gdx s VAL 238 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3gdx s VAL 238 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3gdx s VAL 238 CO 0.00 0.25 0.17 0.00 0.00 0.00 0.00 175.10 175.51 3gdx s GLN 240 N -3.99 0.70 0.43 0.00 0.74 -0.26 0.16 119.66 117.44 3gdx s GLN 240 Ca 0.39 1.01 -0.24 0.00 0.05 0.00 0.00 55.36 56.57 3gdx s GLN 240 Cb 0.06 0.24 -0.08 0.00 1.10 0.00 0.00 33.01 34.33 3gdx s GLN 240 CO 0.16 -0.12 1.14 -0.51 -0.55 0.00 0.00 175.29 175.40 3gdx s LEU 241 N 0.93 4.10 0.45 3.68 1.43 -1.26 -4.67 118.68 123.34 3gdx s LEU 241 Ca -0.05 2.25 -0.22 0.00 -1.03 0.00 0.00 54.13 55.09 3gdx s LEU 241 Cb -0.05 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 3gdx s LEU 241 CO -0.08 -0.73 1.02 -2.16 0.23 0.00 0.00 176.35 174.62 3gdx s PRO 242 N -2.52 4.01 0.23 1.29 0.04 -1.26 -4.55 135.00 132.24 3gdx s PRO 242 Ca 0.60 1.36 0.07 0.00 0.04 0.00 0.00 61.00 63.07 3gdx s PRO 242 Cb -0.27 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3gdx s PRO 242 CO 0.34 -0.25 0.12 -1.54 0.04 0.00 0.00 177.00 175.71 3gdx s SER 243 N -1.89 5.25 0.82 6.66 1.04 -1.26 -4.96 113.70 119.36 3gdx s SER 243 Ca 0.63 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.62 3gdx s SER 243 Cb -0.17 -1.26 0.09 0.00 0.10 0.00 0.00 66.02 64.78 3gdx s SER 243 CO 0.21 0.00 1.18 -0.54 0.98 0.00 0.00 173.24 175.07 3gdx s LYS 244 N -3.58 1.86 0.20 4.02 1.02 -1.26 -4.93 119.74 117.07 3gdx s LYS 244 Ca 0.32 0.12 -0.32 0.00 0.02 0.00 0.00 55.97 56.10 3gdx s LYS 244 Cb -0.08 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.16 3gdx s LYS 244 CO 0.23 -1.67 1.57 0.09 -0.92 0.00 0.00 175.35 174.65 3gdx n ASN 245 N -3.37 3.31 0.00 2.83 3.02 -1.26 -1.20 115.26 118.59 3gdx n ASN 245 Ca 0.08 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 3gdx n ASN 245 Cb 0.61 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 3gdx n ASN 245 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gdx n ASP 246 N 3.10 0.00 -4.75 6.41 9.92 -1.26 -4.94 116.55 125.03 3gdx n ASP 246 Ca 0.15 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.99 3gdx n ASP 246 Cb 0.32 -0.17 -0.01 0.00 -0.64 0.00 0.00 41.12 40.61 3gdx n ASP 246 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3gdx n GLU 247 N -1.20 2.70 -2.14 -1.24 2.13 -0.34 -4.95 120.64 115.58 3gdx n GLU 247 Ca 0.00 0.96 -0.39 0.00 0.66 0.00 0.00 57.16 58.38 3gdx n GLU 247 Cb 0.00 -2.73 -0.01 0.00 0.27 0.00 0.00 31.44 28.96 3gdx n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3gdx s LYS 248 N -0.67 4.10 0.53 5.31 0.00 -1.26 -4.62 119.74 123.12 3gdx s LYS 248 Ca 0.63 2.08 -0.22 0.00 0.00 0.00 0.00 55.97 58.46 3gdx s LYS 248 Cb -0.49 -2.82 -0.05 0.00 0.00 0.00 0.00 37.83 34.46 3gdx s LYS 248 CO 0.50 -0.36 1.31 -1.21 0.00 0.00 0.00 175.35 175.59 3gdx s GLU 249 N -2.13 3.28 0.64 1.78 2.02 -1.26 -4.89 118.70 118.14 3gdx s GLU 249 Ca 0.55 2.12 -0.13 0.00 0.02 0.00 0.00 54.97 57.53 3gdx s GLU 249 Cb -0.36 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 3gdx s GLU 249 CO 0.47 -1.04 1.05 0.71 0.02 0.00 0.00 175.26 176.46 3gdx s TYR 250 N -1.36 3.20 0.63 1.61 2.02 -1.26 -5.02 117.35 117.17 3gdx s TYR 250 Ca 0.70 1.43 -0.16 0.00 -0.37 0.00 0.00 57.07 58.67 3gdx s TYR 250 Cb -0.37 -2.88 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 3gdx s TYR 250 CO 0.44 -1.02 1.12 -2.14 -1.57 0.00 0.00 175.55 172.38 3gdx s PRO 251 N -4.71 2.91 0.54 -1.71 0.02 -1.26 -4.90 135.00 125.89 3gdx s PRO 251 Ca 0.59 1.47 -0.18 0.00 0.02 0.00 0.00 61.00 62.90 3gdx s PRO 251 Cb -0.14 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3gdx s PRO 251 CO 0.48 -1.18 1.04 -1.01 -0.33 0.00 0.00 177.00 175.99 3gdx s HIS 252 N -2.17 3.07 0.05 6.54 3.76 -1.26 -4.69 115.29 120.59 3gdx s HIS 252 Ca 0.69 1.53 0.05 0.00 -0.15 0.00 0.00 55.06 57.18 3gdx s HIS 252 Cb -0.22 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.46 3gdx s HIS 252 CO 0.38 -0.86 -0.14 1.03 -0.85 0.00 0.00 174.74 174.30 3gdx s ARG 253 N -3.73 0.86 0.36 1.40 1.81 0.12 -4.42 118.95 115.36 3gdx s ARG 253 Ca 0.64 -0.83 -0.25 0.00 -1.72 0.00 0.00 55.73 53.58 3gdx s ARG 253 Cb -0.15 -0.86 -0.10 0.00 -0.45 0.00 0.00 34.95 33.39 3gdx s ARG 253 CO 0.29 0.20 1.00 1.03 -0.68 0.00 0.00 175.30 177.14 3gdx s ARG 254 N -1.37 4.37 -0.09 3.54 1.81 -1.26 0.36 118.95 126.31 3gdx s ARG 254 Ca -0.00 1.42 -0.04 0.00 -1.72 0.00 0.00 55.73 55.39 3gdx s ARG 254 Cb -0.09 -2.66 0.05 0.00 -0.45 0.00 0.00 34.95 31.80 3gdx s ARG 254 CO 0.02 0.06 0.19 -1.50 -0.68 0.00 0.00 175.30 173.39 3gdx s ILE 255 N -1.65 -0.12 -0.09 1.52 2.07 0.14 -2.90 121.20 120.17 3gdx s ILE 255 Ca 0.54 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.99 3gdx s ILE 255 Cb -0.20 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 3gdx s ILE 255 CO 0.26 0.09 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.48 3gdx s ASP 256 N 1.50 4.53 -0.07 4.50 1.01 -0.52 -1.00 116.67 126.62 3gdx s ASP 256 Ca -0.06 -0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.11 3gdx s ASP 256 Cb -0.11 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.56 3gdx s ASP 256 CO -0.07 0.31 -0.07 -0.63 0.21 0.00 0.00 175.17 174.92 3gdx s ILE 257 N -0.48 0.81 -0.17 0.77 1.01 0.17 -0.56 121.20 122.75 3gdx s ILE 257 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3gdx s ILE 257 Cb -0.12 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.55 3gdx s ILE 257 CO 0.02 0.30 -0.18 -0.60 0.00 0.00 0.00 174.94 174.49 3gdx s ARG 258 N 1.22 2.75 -0.22 2.79 6.06 0.50 -0.11 118.95 131.95 3gdx s ARG 258 Ca -0.05 -0.77 -0.18 0.00 -2.50 0.00 0.00 55.73 52.23 3gdx s ARG 258 Cb -0.14 -2.44 -0.03 0.00 0.06 0.00 0.00 34.95 32.40 3gdx s ARG 258 CO -0.02 -0.23 0.52 -1.17 -2.50 0.00 0.00 175.30 171.90 3gdx s LEU 259 N 1.34 4.11 0.06 -0.88 2.96 0.14 0.72 118.68 127.14 3gdx s LEU 259 Ca 0.04 0.63 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 3gdx s LEU 259 Cb -0.13 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 3gdx s LEU 259 CO -0.12 -0.22 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.86 3gdx s ILE 260 N 1.87 1.65 0.25 6.68 1.01 -0.36 -4.79 121.20 127.51 3gdx s ILE 260 Ca 0.23 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.28 3gdx s ILE 260 Cb -0.15 -1.45 -0.13 0.00 0.01 0.00 0.00 42.46 40.73 3gdx s ILE 260 CO 0.09 0.11 1.40 -2.65 0.00 0.00 0.00 174.94 173.90 3gdx n PRO 261 N 1.62 2.06 0.30 2.79 -0.02 -1.26 -4.52 135.00 135.98 3gdx n PRO 261 Ca -0.18 0.73 0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3gdx n PRO 261 Cb 0.53 -2.39 0.95 0.00 -0.02 0.00 0.00 33.50 32.58 3gdx n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gdx h LYS 262 N 4.07 0.00 -0.04 -0.52 3.64 -1.61 -1.19 116.57 120.92 3gdx h LYS 262 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3gdx h LYS 262 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3gdx h LYS 262 CO 0.75 0.03 0.00 -0.40 -2.27 0.00 0.00 179.45 177.55 3gdx n ASP 263 N -3.27 1.01 -0.06 4.20 5.68 -1.26 -3.50 116.55 119.36 3gdx n ASP 263 Ca -0.02 -1.42 0.04 0.00 -0.50 0.00 0.00 54.79 52.89 3gdx n ASP 263 Cb 0.17 -0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.19 3gdx n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gdx n GLN 264 N -0.18 1.93 -0.22 0.11 6.02 -0.46 -4.86 117.38 119.72 3gdx n GLN 264 Ca 0.19 -1.87 -0.01 0.00 -0.01 0.00 0.00 57.00 55.30 3gdx n GLN 264 Cb 0.26 -1.15 0.06 0.00 1.02 0.00 0.00 30.24 30.42 3gdx n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3gdx h TYR 265 N 0.00 -0.48 -0.70 1.08 3.20 -1.57 -1.61 116.97 116.88 3gdx h TYR 265 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3gdx h TYR 265 Cb 0.79 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3gdx h TYR 265 CO 0.01 -0.31 0.46 1.88 -1.64 0.00 0.00 178.16 178.56 3gdx h TYR 266 N -0.04 0.88 -0.13 -3.82 0.05 -1.89 1.08 116.97 113.09 3gdx h TYR 266 Ca 0.30 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.90 3gdx h TYR 266 Cb 0.50 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3gdx h TYR 266 CO -0.56 0.55 -0.72 0.00 -1.05 0.00 0.00 178.16 176.39 3gdx h GLY 268 N 0.93 1.05 1.92 0.00 0.00 0.12 -1.54 103.07 105.56 3gdx h GLY 268 Ca -0.03 -0.92 -0.16 0.00 0.00 0.00 0.00 47.33 46.22 3gdx h GLY 268 CO 0.14 0.84 -0.74 -0.24 0.00 0.00 0.00 176.54 176.54 3gdx h VAL 269 N 0.82 1.50 0.05 4.60 3.04 0.12 -2.02 116.25 124.35 3gdx h VAL 269 Ca 0.11 -2.44 -0.00 0.00 -1.01 0.00 0.00 66.70 63.36 3gdx h VAL 269 Cb 0.76 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 3gdx h VAL 269 CO 0.06 0.70 -0.02 0.25 -1.01 0.00 0.00 177.57 177.55 3gdx h LEU 270 N 0.05 -0.06 0.11 3.16 5.85 -1.20 -1.91 115.31 121.30 3gdx h LEU 270 Ca -0.01 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3gdx h LEU 270 Cb 1.30 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3gdx h LEU 270 CO 0.10 0.17 -0.41 0.22 -0.34 0.00 0.00 178.44 178.18 3gdx h TYR 271 N -0.29 -1.15 0.00 1.25 3.20 -1.20 -2.88 116.97 115.91 3gdx h TYR 271 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3gdx h TYR 271 Cb 0.26 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3gdx h TYR 271 CO -0.00 -0.51 -0.17 0.35 -1.64 0.00 0.00 178.16 176.19 3gdx h PHE 272 N -0.64 0.00 -0.09 -3.82 3.57 -1.40 -2.84 116.94 111.72 3gdx h PHE 272 Ca 0.02 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 3gdx h PHE 272 Cb 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3gdx h PHE 272 CO -0.37 0.17 -0.50 1.15 -2.23 0.00 0.00 178.31 176.53 3gdx h THR 273 N 0.00 1.35 -0.40 4.41 2.02 -1.13 -1.04 112.91 118.12 3gdx h THR 273 Ca -0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 3gdx h THR 273 Cb 0.44 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3gdx h THR 273 CO 0.02 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.04 3gdx n GLY 274 N 0.03 0.12 3.29 2.16 0.00 -1.07 -4.20 105.19 105.51 3gdx n GLY 274 Ca -0.02 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 3gdx n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdx n SER 275 N -1.65 -1.69 -0.17 1.61 3.41 -0.29 -4.75 113.62 110.08 3gdx n SER 275 Ca 0.00 -1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 3gdx n SER 275 Cb 0.00 -0.93 0.05 0.00 -0.26 0.00 0.00 64.21 63.06 3gdx n SER 275 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3gdx h ASP 276 N -2.45 0.98 -0.27 4.04 2.03 -1.91 -0.74 116.42 118.10 3gdx h ASP 276 Ca -0.38 -0.31 -0.09 0.00 -0.73 0.00 0.00 57.03 55.52 3gdx h ASP 276 Cb 1.15 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.38 3gdx h ASP 276 CO 0.25 1.08 -0.19 0.40 -1.03 0.00 0.00 179.24 179.75 3gdx h ILE 277 N 0.89 1.30 -0.20 4.15 2.04 -1.93 -2.02 117.51 121.75 3gdx h ILE 277 Ca 0.15 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.74 3gdx h ILE 277 Cb 0.62 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 3gdx h ILE 277 CO 0.04 0.42 -0.17 0.15 0.00 0.00 0.00 178.15 178.59 3gdx h PHE 278 N 0.34 -0.44 -0.64 1.37 3.04 -1.74 0.81 116.94 119.69 3gdx h PHE 278 Ca 0.05 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.10 3gdx h PHE 278 Cb 0.73 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.41 3gdx h PHE 278 CO 0.07 -0.25 0.33 -0.91 -2.02 0.00 0.00 178.31 175.53 3gdx h ASN 279 N -0.19 0.47 -0.15 0.41 2.35 -1.08 0.32 115.58 117.72 3gdx h ASN 279 Ca 0.12 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3gdx h ASN 279 Cb 0.36 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3gdx h ASN 279 CO -0.31 0.30 -0.07 0.11 -1.65 0.00 0.00 177.43 175.82 3gdx h LYS 280 N 0.61 -0.05 -0.61 0.81 1.57 -0.49 0.29 116.57 118.71 3gdx h LYS 280 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3gdx h LYS 280 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3gdx h LYS 280 CO -0.20 -0.03 0.25 -0.91 -0.57 0.00 0.00 179.45 177.99 3gdx h ASN 281 N -0.05 0.84 -0.33 0.86 2.35 -0.08 0.43 115.58 119.60 3gdx h ASN 281 Ca 0.08 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3gdx h ASN 281 Cb 0.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3gdx h ASN 281 CO -0.18 0.78 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.33 3gdx h MET 282 N 0.85 0.60 -0.41 0.81 4.05 -0.02 -0.57 114.93 120.25 3gdx h MET 282 Ca 0.20 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 3gdx h MET 282 Cb 0.20 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 3gdx h MET 282 CO -0.02 0.74 -0.08 0.00 0.23 0.00 0.00 176.91 177.79 3gdx h ARG 283 N 0.40 0.70 0.03 0.39 3.08 -0.29 0.90 114.38 119.60 3gdx h ARG 283 Ca 0.09 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gdx h ARG 283 Cb 0.48 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3gdx h ARG 283 CO 0.02 0.77 -0.02 0.00 -1.07 0.00 0.00 179.97 179.67 3gdx h ALA 284 N 1.27 -0.04 -0.94 0.04 0.00 -0.82 -2.19 119.26 116.58 3gdx h ALA 284 Ca 0.12 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3gdx h ALA 284 Cb 0.51 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3gdx h ALA 284 CO 0.03 -0.32 0.57 1.25 0.00 0.00 0.00 179.25 180.78 3gdx h HIS 285 N -0.46 1.03 -0.27 0.00 -0.00 -0.88 -1.17 115.15 113.39 3gdx h HIS 285 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3gdx h HIS 285 Cb 0.43 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3gdx h HIS 285 CO 0.07 0.40 0.17 0.00 -0.00 0.00 0.00 177.93 178.57 3gdx h ALA 286 N 1.51 0.34 -0.44 5.26 0.00 -0.72 -1.85 119.26 123.36 3gdx h ALA 286 Ca 0.46 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.42 3gdx h ALA 286 Cb 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3gdx h ALA 286 CO -0.27 -0.18 0.09 -0.07 0.00 0.00 0.00 179.25 178.82 3gdx h LEU 287 N 0.35 0.00 -2.43 0.00 3.38 -0.30 0.29 115.31 116.61 3gdx h LEU 287 Ca 0.10 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3gdx h LEU 287 Cb -0.02 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gdx h LEU 287 CO -0.02 0.03 0.04 -0.33 0.09 0.00 0.00 178.44 178.25 3gdx h GLU 288 N 0.22 0.00 -0.41 1.13 5.08 -0.86 0.13 114.58 119.87 3gdx h GLU 288 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3gdx h GLU 288 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3gdx h GLU 288 CO -0.28 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.36 3gdx n LYS 289 N -3.83 2.16 -1.50 2.33 4.76 0.29 -4.91 118.16 117.47 3gdx n LYS 289 Ca -0.02 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 3gdx n LYS 289 Cb 0.13 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3gdx n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdx n GLY 290 N 1.32 0.67 3.35 0.72 0.00 0.45 -5.01 105.19 106.69 3gdx n GLY 290 Ca 0.18 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3gdx n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdx s PHE 291 N -2.00 1.63 -0.04 1.61 0.40 0.77 -1.07 117.98 119.28 3gdx s PHE 291 Ca 0.00 -1.05 -0.02 0.00 -0.60 0.00 0.00 56.93 55.26 3gdx s PHE 291 Cb 0.00 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.58 3gdx s PHE 291 CO 0.00 -0.17 0.08 -0.08 0.70 0.00 0.00 175.22 175.75 3gdx s THR 292 N -3.56 -0.04 -0.07 0.64 -1.32 -0.57 -1.64 115.64 109.08 3gdx s THR 292 Ca 0.34 0.15 0.04 0.00 -1.21 0.00 0.00 61.69 61.02 3gdx s THR 292 Cb 0.07 -0.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.92 3gdx s THR 292 CO 0.12 0.06 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.78 3gdx s ILE 293 N 0.88 1.56 0.35 5.08 1.01 -1.26 -1.48 121.20 127.33 3gdx s ILE 293 Ca -0.07 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3gdx s ILE 293 Cb -0.10 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3gdx s ILE 293 CO -0.03 0.45 0.14 -0.46 0.00 0.00 0.00 174.94 175.03 3gdx n ASN 294 N 3.43 1.06 0.01 3.58 0.23 -0.64 -4.93 115.26 118.00 3gdx n ASN 294 Ca -0.20 -2.88 0.05 0.00 -0.53 0.00 0.00 54.58 51.02 3gdx n ASN 294 Cb 0.52 0.93 0.23 0.00 -2.08 0.00 0.00 39.78 39.39 3gdx n ASN 294 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3gdx n GLU 295 N -0.78 0.02 -0.11 -3.83 0.00 -1.26 -3.30 120.64 111.39 3gdx n GLU 295 Ca -0.04 0.36 -0.14 0.00 0.00 0.00 0.00 57.16 57.33 3gdx n GLU 295 Cb 0.53 -1.54 -0.10 0.00 0.00 0.00 0.00 31.44 30.33 3gdx n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3gdx n TYR 296 N -1.57 0.00 -3.85 -1.84 4.01 -1.26 -1.18 117.16 111.46 3gdx n TYR 296 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 3gdx n TYR 296 Cb 0.11 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 3gdx n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3gdx s THR 297 N -2.43 0.00 -0.23 -0.72 -4.23 -1.21 -4.75 115.64 102.07 3gdx s THR 297 Ca -0.27 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3gdx s THR 297 Cb 0.07 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.37 3gdx s THR 297 CO 0.52 0.00 -0.02 -0.51 -0.54 0.00 0.00 174.62 174.07 3gdx s ILE 298 N -2.85 1.24 0.18 2.99 2.07 -1.26 -1.61 121.20 121.96 3gdx s ILE 298 Ca 0.16 -1.07 0.06 0.00 -1.41 0.00 0.00 60.65 58.38 3gdx s ILE 298 Cb -0.05 -1.60 -0.04 0.00 0.13 0.00 0.00 42.46 40.90 3gdx s ILE 298 CO 0.11 -0.17 0.10 -0.13 -1.91 0.00 0.00 174.94 172.94 3gdx s ARG 299 N 1.52 2.74 0.34 3.50 0.52 -0.55 -2.36 118.95 124.66 3gdx s ARG 299 Ca -0.03 -0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 54.02 3gdx s ARG 299 Cb -0.18 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 3gdx s ARG 299 CO -0.08 0.46 0.80 -1.25 0.02 0.00 0.00 175.30 175.25 3gdx s PRO 300 N -3.19 4.10 -0.40 3.54 0.04 -1.26 -1.51 135.00 136.33 3gdx s PRO 300 Ca 0.30 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 3gdx s PRO 300 Cb -0.09 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3gdx s PRO 300 CO 0.22 0.13 0.46 -0.51 0.04 0.00 0.00 177.00 177.34 3gdx s LEU 301 N -2.91 4.65 1.18 -3.56 1.43 -0.23 0.16 118.68 119.39 3gdx s LEU 301 Ca 0.55 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 3gdx s LEU 301 Cb -0.11 -2.45 0.21 0.00 0.03 0.00 0.00 46.19 43.88 3gdx s LEU 301 CO 0.17 -0.54 0.51 0.61 0.23 0.00 0.00 176.35 177.33 3gdx n GLY 302 N 5.02 -2.41 0.36 -3.19 0.00 0.19 -4.68 105.19 100.49 3gdx n GLY 302 Ca -0.07 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.08 3gdx n GLY 302 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gdx h VAL 303 N -2.49 0.82 -0.09 1.61 2.07 -1.97 0.22 116.25 116.42 3gdx h VAL 303 Ca -0.58 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3gdx h VAL 303 Cb 1.34 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3gdx h VAL 303 CO 0.43 0.04 0.00 1.07 0.02 0.00 0.00 177.57 179.13 3gdx n THR 304 N -4.44 0.11 0.00 2.57 5.66 -1.26 -4.92 114.28 112.00 3gdx n THR 304 Ca 0.10 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3gdx n THR 304 Cb 0.47 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 3gdx n THR 304 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gdx n GLY 305 N 1.11 3.22 3.67 1.09 0.00 0.78 -5.03 105.19 110.03 3gdx n GLY 305 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3gdx n GLY 305 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gdx n VAL 306 N -1.52 1.92 -2.51 1.61 0.31 -1.26 -4.29 118.33 112.58 3gdx n VAL 306 Ca 0.00 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.43 3gdx n VAL 306 Cb 0.00 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 3gdx n VAL 306 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gdx s ALA 307 N -1.01 3.45 1.00 3.52 0.00 -1.26 0.57 121.76 128.03 3gdx s ALA 307 Ca 0.57 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3gdx s ALA 307 Cb -0.61 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3gdx s ALA 307 CO 0.61 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3gdx n GLY 308 N 3.27 -1.42 3.84 0.00 0.00 0.42 -4.91 105.19 106.40 3gdx n GLY 308 Ca 0.10 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 3gdx n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gdx s GLU 309 N -1.34 3.34 0.35 1.61 0.41 -1.26 -4.54 118.70 117.27 3gdx s GLU 309 Ca 0.00 0.90 -0.29 0.00 -0.41 0.00 0.00 54.97 55.17 3gdx s GLU 309 Cb 0.00 -2.04 -0.11 0.00 -1.78 0.00 0.00 34.13 30.19 3gdx s GLU 309 CO 0.00 -0.78 1.52 -2.30 -0.49 0.00 0.00 175.26 173.22 3gdx n PRO 310 N -2.72 2.68 -3.38 0.39 -0.02 -1.26 -4.18 135.00 126.51 3gdx n PRO 310 Ca 0.07 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.13 3gdx n PRO 310 Cb 0.54 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3gdx n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gdx s LEU 311 N -1.53 4.41 0.12 2.45 1.43 -1.00 -5.01 118.68 119.56 3gdx s LEU 311 Ca 0.57 1.08 -0.33 0.00 -1.03 0.00 0.00 54.13 54.42 3gdx s LEU 311 Cb -0.48 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 3gdx s LEU 311 CO 0.59 0.19 1.74 -0.81 0.23 0.00 0.00 176.35 178.28 3gdx n PRO 312 N 1.22 2.47 -4.45 1.29 -0.04 -1.26 -4.77 135.00 129.46 3gdx n PRO 312 Ca -0.08 0.90 -0.23 0.00 -0.04 0.00 0.00 63.50 64.04 3gdx n PRO 312 Cb 0.52 -2.73 -0.17 0.00 -0.04 0.00 0.00 33.50 31.08 3gdx n PRO 312 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gdx s VAL 313 N 2.05 0.98 0.00 0.52 1.01 -1.26 -4.97 120.40 118.73 3gdx s VAL 313 Ca 0.81 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3gdx s VAL 313 Cb -0.59 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gdx s VAL 313 CO 0.39 0.32 0.55 0.47 0.00 0.00 0.00 175.10 176.83 3gdx n ASP 314 N 3.91 0.91 -3.65 3.32 8.00 -1.26 -4.99 116.55 122.80 3gdx n ASP 314 Ca -0.23 -1.30 -0.05 0.00 0.71 0.00 0.00 54.79 53.93 3gdx n ASP 314 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 3gdx n ASP 314 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gdx s SER 315 N -0.30 -0.23 0.16 -2.24 1.04 -1.26 -4.99 113.70 105.88 3gdx s SER 315 Ca 0.00 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.08 3gdx s SER 315 Cb 0.00 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3gdx s SER 315 CO 0.00 -0.72 1.68 -0.33 0.98 0.00 0.00 173.24 174.85 3gdx h GLU 316 N 2.00 0.86 -0.99 4.02 5.08 -1.98 -2.91 114.58 120.66 3gdx h GLU 316 Ca -0.23 -0.19 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 3gdx h GLU 316 Cb 1.23 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 3gdx h GLU 316 CO 0.27 0.79 0.63 -0.22 -1.00 0.00 0.00 179.01 179.48 3gdx h LYS 317 N 0.77 1.00 -0.93 2.33 3.64 -1.97 -1.69 116.57 119.73 3gdx h LYS 317 Ca 0.18 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 3gdx h LYS 317 Cb 0.30 -0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 31.81 3gdx h LYS 317 CO -0.00 0.66 0.56 -0.44 -2.27 0.00 0.00 179.45 177.95 3gdx h ASP 318 N 1.03 0.78 -0.42 4.20 3.32 -1.90 0.13 116.42 123.56 3gdx h ASP 318 Ca 0.48 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.56 3gdx h ASP 318 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3gdx h ASP 318 CO -0.24 0.40 0.17 0.40 -1.72 0.00 0.00 179.24 178.24 3gdx h ILE 319 N 0.86 1.20 -0.96 0.35 2.04 -1.38 -2.34 117.51 117.28 3gdx h ILE 319 Ca 0.47 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gdx h ILE 319 Cb 0.52 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3gdx h ILE 319 CO -0.29 0.23 0.63 -0.26 0.00 0.00 0.00 178.15 178.46 3gdx h PHE 320 N 0.54 1.18 -0.49 1.37 -1.00 -0.96 -2.66 116.94 114.92 3gdx h PHE 320 Ca 0.14 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3gdx h PHE 320 Cb 0.20 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 3gdx h PHE 320 CO 0.00 0.69 0.22 -0.44 -1.61 0.00 0.00 178.31 177.17 3gdx h ASP 321 N 1.22 0.65 -0.85 2.17 3.32 -0.35 -0.43 116.42 122.16 3gdx h ASP 321 Ca 0.38 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.43 3gdx h ASP 321 Cb -0.02 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.27 3gdx h ASP 321 CO -0.11 0.61 0.44 1.88 -1.72 0.00 0.00 179.24 180.34 3gdx h TYR 322 N 0.65 0.76 -0.25 4.55 0.05 -1.07 0.84 116.97 122.51 3gdx h TYR 322 Ca 0.17 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3gdx h TYR 322 Cb 0.14 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3gdx h TYR 322 CO -0.00 0.18 0.00 0.44 -1.05 0.00 0.00 178.16 177.72 3gdx n ILE 323 N -4.87 0.33 -3.43 -2.88 -5.35 -1.12 -4.94 119.36 97.09 3gdx n ILE 323 Ca 0.17 -0.44 -0.17 0.00 -0.27 0.00 0.00 62.75 62.04 3gdx n ILE 323 Cb 0.44 0.40 0.08 0.00 -1.74 0.00 0.00 39.64 38.81 3gdx n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gdx n GLN 324 N 0.53 -5.57 -5.04 6.28 6.02 0.29 -4.95 117.38 114.94 3gdx n GLN 324 Ca 0.16 0.82 -0.30 0.00 -0.01 0.00 0.00 57.00 57.67 3gdx n GLN 324 Cb 0.36 -5.76 -0.17 0.00 1.02 0.00 0.00 30.24 25.68 3gdx n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3gdx s TRP 325 N -3.40 2.28 0.48 1.08 0.52 -0.22 -5.03 118.94 114.65 3gdx s TRP 325 Ca 0.09 -0.92 -0.24 0.00 0.02 0.00 0.00 56.10 55.04 3gdx s TRP 325 Cb -0.01 -1.55 -0.07 0.00 -1.15 0.00 0.00 33.47 30.69 3gdx s TRP 325 CO 0.74 -0.39 1.41 0.15 0.02 0.00 0.00 176.95 178.88 3gdx s LYS 326 N 0.44 3.52 0.25 4.98 1.02 -1.26 -4.15 119.74 124.54 3gdx s LYS 326 Ca -0.18 2.37 -0.31 0.00 0.02 0.00 0.00 55.97 57.88 3gdx s LYS 326 Cb -0.17 -2.54 -0.11 0.00 -0.52 0.00 0.00 37.83 34.49 3gdx s LYS 326 CO 0.07 -0.94 1.58 -0.47 -0.92 0.00 0.00 175.35 174.67 3gdx s TYR 327 N -1.23 2.88 -0.15 3.18 5.04 -1.26 -4.99 117.35 120.82 3gdx s TYR 327 Ca 0.64 0.74 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 3gdx s TYR 327 Cb -0.43 -4.00 0.01 0.00 0.35 0.00 0.00 41.96 37.88 3gdx s TYR 327 CO 0.54 -3.47 -0.19 1.03 -1.34 0.00 0.00 175.55 172.12 3gdx s ARG 328 N 0.04 3.10 0.93 4.97 0.52 -1.26 -5.11 118.95 122.14 3gdx s ARG 328 Ca 0.65 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.95 3gdx s ARG 328 Cb -0.46 -2.54 0.15 0.00 0.52 0.00 0.00 34.95 32.62 3gdx s ARG 328 CO 0.42 -0.04 1.10 0.39 0.02 0.00 0.00 175.30 177.19 3gdx n GLU 329 N 4.16 -0.56 -0.11 3.54 -0.58 -1.26 -4.86 120.64 120.96 3gdx n GLU 329 Ca -0.20 -0.10 -0.05 0.00 -0.42 0.00 0.00 57.16 56.39 3gdx n GLU 329 Cb 0.51 -2.34 0.03 0.00 -0.57 0.00 0.00 31.44 29.07 3gdx n GLU 329 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3gdx h PRO 330 N -1.93 0.16 0.00 3.49 0.11 -1.92 -1.73 132.00 130.18 3gdx h PRO 330 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gdx h PRO 330 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gdx h PRO 330 CO 0.41 0.11 0.07 0.36 -0.21 0.00 0.00 178.00 178.74 3gdx n LYS 331 N -5.13 0.03 -0.17 1.05 2.85 -1.23 -0.76 118.16 114.80 3gdx n LYS 331 Ca 0.02 0.48 0.06 0.00 -1.05 0.00 0.00 58.31 57.82 3gdx n LYS 331 Cb 0.19 -1.67 0.15 0.00 -0.65 0.00 0.00 35.03 33.04 3gdx n LYS 331 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3gdx n ASP 332 N -1.62 2.86 -1.24 -5.58 8.00 -0.65 -4.49 116.55 113.83 3gdx n ASP 332 Ca -0.00 -1.96 0.10 0.00 0.71 0.00 0.00 54.79 53.63 3gdx n ASP 332 Cb 0.08 -0.22 0.29 0.00 -0.02 0.00 0.00 41.12 41.25 3gdx n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gdx n ARG 333 N 0.54 3.07 -2.73 -1.24 1.74 0.06 -4.83 116.66 113.27 3gdx n ARG 333 Ca 0.11 -2.60 -0.43 0.00 -0.77 0.00 0.00 57.85 54.16 3gdx n ARG 333 Cb 0.42 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3gdx n ARG 333 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3gdx s SER 334 N -1.02 6.92 0.00 0.55 0.01 -1.26 -1.13 113.70 117.76 3gdx s SER 334 Ca 0.44 -2.62 0.16 0.00 1.31 0.00 0.00 55.95 55.23 3gdx s SER 334 Cb 0.25 -2.50 0.12 0.00 0.21 0.00 0.00 66.02 64.10 3gdx s SER 334 CO 0.26 -1.01 1.00 -0.62 0.41 0.00 0.00 173.24 173.28