#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnd s LYS 11 N 0.00 1.61 -0.32 1.61 1.02 -1.26 -5.11 119.74 117.29 3gnd s LYS 11 Ca 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 55.97 54.88 3gnd s LYS 11 Cb 0.00 -1.86 0.09 0.00 -0.52 0.00 0.00 37.83 35.54 3gnd s LYS 11 CO 0.00 0.47 0.03 0.34 -0.92 0.00 0.00 175.35 175.27 3gnd s ASP 12 N -1.45 4.60 0.00 2.83 2.15 -1.26 -4.95 116.67 118.59 3gnd s ASP 12 Ca 0.11 -1.96 0.23 0.00 0.43 0.00 0.00 52.55 51.36 3gnd s ASP 12 Cb -0.10 -1.51 1.04 0.00 -0.30 0.00 0.00 42.92 42.06 3gnd s ASP 12 CO 0.03 -0.36 1.71 0.49 -0.17 0.00 0.00 175.17 176.88 3gnd n PHE 13 N 4.36 0.09 -3.99 -5.34 3.72 -1.26 -4.94 117.46 110.10 3gnd n PHE 13 Ca 0.00 -0.04 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 3gnd n PHE 13 Cb 0.42 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.97 3gnd n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gnd n ARG 14 N -0.14 -0.44 0.00 -1.08 0.63 -1.26 -4.78 116.66 109.59 3gnd n ARG 14 Ca 0.17 -0.11 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 3gnd n ARG 14 Cb 0.24 -1.48 0.46 0.00 0.45 0.00 0.00 32.46 32.14 3gnd n ARG 14 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3gnd n THR 15 N -3.93 0.43 1.40 5.15 -2.24 -1.26 -2.47 114.28 111.37 3gnd n THR 15 Ca -0.08 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 3gnd n THR 15 Cb 0.40 -0.81 0.59 0.00 -2.10 0.00 0.00 70.33 68.41 3gnd n THR 15 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gnd n ASP 16 N -1.27 0.57 -3.75 3.42 5.68 -1.26 -4.66 116.55 115.28 3gnd n ASP 16 Ca 0.09 -0.66 -0.30 0.00 -0.50 0.00 0.00 54.79 53.42 3gnd n ASP 16 Cb 0.14 -0.04 -0.14 0.00 -1.14 0.00 0.00 41.12 39.94 3gnd n ASP 16 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 3gnd s GLN 17 N -2.45 1.01 0.57 0.11 0.74 -1.03 -5.12 119.66 113.50 3gnd s GLN 17 Ca 0.29 -1.53 -0.20 0.00 0.05 0.00 0.00 55.36 53.98 3gnd s GLN 17 Cb 0.20 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 32.03 3gnd s GLN 17 CO 0.47 -1.05 1.24 -2.14 -0.55 0.00 0.00 175.29 173.25 3gnd s PRO 18 N 1.04 3.08 0.24 1.67 0.02 -1.26 -4.96 135.00 134.83 3gnd s PRO 18 Ca 0.13 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 3gnd s PRO 18 Cb -0.20 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3gnd s PRO 18 CO -0.13 -1.14 1.19 -1.14 -0.33 0.00 0.00 177.00 175.45 3gnd s GLN 19 N -3.17 4.51 -0.01 5.54 0.74 -1.26 -5.05 119.66 120.96 3gnd s GLN 19 Ca 0.75 1.92 0.04 0.00 0.05 0.00 0.00 55.36 58.12 3gnd s GLN 19 Cb -0.32 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 3gnd s GLN 19 CO 0.36 -0.01 -0.13 0.15 -0.55 0.00 0.00 175.29 175.11 3gnd s LYS 20 N -0.91 1.10 0.16 1.67 1.02 -1.26 -5.13 119.74 116.40 3gnd s LYS 20 Ca 0.50 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 3gnd s LYS 20 Cb -0.34 -1.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.83 3gnd s LYS 20 CO 0.41 0.28 1.26 -0.80 -0.92 0.00 0.00 175.35 175.58 3gnd s ASN 21 N -0.28 6.99 -0.30 2.83 0.01 -1.26 -5.01 114.94 117.91 3gnd s ASN 21 Ca 0.05 2.27 -0.27 0.00 -0.71 0.00 0.00 52.86 54.20 3gnd s ASN 21 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3gnd s ASN 21 CO -0.00 -0.47 0.97 -0.63 -1.51 0.00 0.00 177.10 175.45 3gnd s ILE 22 N 0.30 4.63 0.59 0.60 1.01 -1.26 -5.02 121.20 122.05 3gnd s ILE 22 Ca 0.56 1.59 -0.20 0.00 0.00 0.00 0.00 60.65 62.60 3gnd s ILE 22 Cb -0.34 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 3gnd s ILE 22 CO 0.35 -0.36 1.30 -2.84 0.00 0.00 0.00 174.94 173.39 3gnd s PRO 23 N 3.34 2.92 -0.34 2.79 0.02 -1.26 -4.99 135.00 137.48 3gnd s PRO 23 Ca 0.41 2.07 -0.09 0.00 0.02 0.00 0.00 61.00 63.41 3gnd s PRO 23 Cb -0.13 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.36 3gnd s PRO 23 CO 0.13 -1.32 0.16 0.12 -0.33 0.00 0.00 177.00 175.76 3gnd s PHE 24 N -1.40 3.21 -1.05 6.54 5.36 -1.26 -5.00 117.98 124.38 3gnd s PHE 24 Ca 0.76 -0.92 0.23 0.00 -0.96 0.00 0.00 56.93 56.05 3gnd s PHE 24 Cb -0.37 -2.36 0.21 0.00 -0.34 0.00 0.00 43.02 40.16 3gnd s PHE 24 CO 0.41 -0.59 1.21 0.25 -1.46 0.00 0.00 175.22 175.04 3gnd n THR 25 N 4.95 0.00 -1.67 0.12 -2.24 -1.26 -4.48 114.28 109.70 3gnd n THR 25 Ca -0.13 -0.01 -0.46 0.00 -2.27 0.00 0.00 64.05 61.18 3gnd n THR 25 Cb 0.47 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3gnd n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gnd n LEU 26 N -1.44 3.18 -4.57 3.22 7.94 -1.26 -4.69 117.00 119.37 3gnd n LEU 26 Ca 0.05 1.06 -0.61 0.00 -1.11 0.00 0.00 56.01 55.40 3gnd n LEU 26 Cb 0.34 -1.42 -0.09 0.00 0.53 0.00 0.00 43.42 42.77 3gnd n LEU 26 CO 0.38 -0.24 1.43 1.17 -1.11 0.00 0.00 177.39 179.02 3gnd n LYS 27 N 4.01 0.44 -1.63 1.96 4.81 -1.26 -1.32 118.16 125.17 3gnd n LYS 27 Ca 0.18 0.15 -0.14 0.00 -0.87 0.00 0.00 58.31 57.62 3gnd n LYS 27 Cb 0.29 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.51 3gnd n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gnd n GLY 28 N 5.30 1.07 0.60 3.14 0.00 -1.25 -3.94 105.19 110.11 3gnd n GLY 28 Ca 0.37 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3gnd n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd n GLY 30 N -0.87 0.41 2.71 0.00 0.00 -1.26 -3.97 105.19 102.21 3gnd n GLY 30 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 3gnd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd n ALA 31 N 0.38 3.07 -2.56 4.61 0.00 -1.26 -4.95 120.51 119.80 3gnd n ALA 31 Ca 0.11 -2.98 -0.25 0.00 0.00 0.00 0.00 53.44 50.32 3gnd n ALA 31 Cb 0.26 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 3gnd n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gnd s LEU 32 N -3.64 2.91 0.89 0.00 1.43 -1.25 -5.13 118.68 113.88 3gnd s LEU 32 Ca 0.30 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 3gnd s LEU 32 Cb 0.36 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 45.18 3gnd s LEU 32 CO -0.02 0.07 1.13 -0.62 0.23 0.00 0.00 176.35 177.14 3gnd s ASP 33 N -3.12 3.22 0.14 2.29 2.15 -1.26 -4.76 116.67 115.33 3gnd s ASP 33 Ca 0.27 2.08 -0.20 0.00 0.43 0.00 0.00 52.55 55.13 3gnd s ASP 33 Cb -0.08 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 3gnd s ASP 33 CO 0.16 -2.90 1.68 -0.25 -0.17 0.00 0.00 175.17 173.69 3gnd h TRP 34 N -1.73 -0.26 -0.59 -5.34 7.01 -2.00 -1.24 115.95 111.80 3gnd h TRP 34 Ca -0.44 0.03 0.07 0.00 2.11 0.00 0.00 58.89 60.65 3gnd h TRP 34 Cb 1.26 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 28.42 3gnd h TRP 34 CO 0.51 -0.17 0.29 0.78 -2.79 0.00 0.00 178.44 177.06 3gnd h GLY 35 N -0.08 0.85 1.22 2.65 0.00 -1.92 0.35 103.07 106.15 3gnd h GLY 35 Ca 0.13 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3gnd h GLY 35 CO -0.29 0.08 -0.33 1.98 0.00 0.00 0.00 176.54 177.98 3gnd h MET 36 N 0.53 0.87 -0.34 4.80 1.85 -1.45 -1.03 114.93 120.16 3gnd h MET 36 Ca 0.28 -0.42 -0.06 0.00 -0.61 0.00 0.00 59.70 58.89 3gnd h MET 36 Cb 0.24 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 3gnd h MET 36 CO -0.22 1.06 -0.05 1.96 -0.40 0.00 0.00 176.91 179.26 3gnd h GLN 37 N 0.72 0.55 -0.07 0.39 4.20 -0.49 -1.13 115.11 119.28 3gnd h GLN 37 Ca 0.07 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3gnd h GLN 37 Cb 0.89 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3gnd h GLN 37 CO 0.08 0.62 0.04 1.03 -0.67 0.00 0.00 178.83 179.93 3gnd h SER 38 N 0.52 0.09 -0.76 1.46 0.87 0.51 -0.39 113.55 115.86 3gnd h SER 38 Ca 0.10 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3gnd h SER 38 Cb 0.42 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 3gnd h SER 38 CO 0.02 0.15 0.30 0.03 -0.53 0.00 0.00 176.83 176.80 3gnd h ARG 39 N 0.03 1.14 -0.12 2.24 3.08 -0.90 -1.85 114.38 118.00 3gnd h ARG 39 Ca 0.03 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 3gnd h ARG 39 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3gnd h ARG 39 CO -0.00 0.93 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.58 3gnd h LEU 40 N 1.11 0.18 -0.96 3.04 3.38 -0.94 -2.25 115.31 118.88 3gnd h LEU 40 Ca 0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gnd h LEU 40 Cb 0.22 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gnd h LEU 40 CO -0.02 0.37 -0.09 0.28 0.09 0.00 0.00 178.44 179.07 3gnd h SER 41 N 0.18 0.00 0.88 -0.43 0.02 -0.26 0.88 113.55 114.82 3gnd h SER 41 Ca 0.04 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3gnd h SER 41 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3gnd h SER 41 CO 0.03 0.09 -0.43 0.03 -1.14 0.00 0.00 176.83 175.41 3gnd h ARG 42 N 0.00 0.00 0.01 3.45 3.08 -0.90 -3.35 114.38 116.67 3gnd h ARG 42 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3gnd h ARG 42 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 3gnd h ARG 42 CO 0.01 0.43 -1.44 -0.89 -1.07 0.00 0.00 179.97 177.01 3gnd n ILE 43 N -3.53 1.55 -3.58 2.04 5.41 -0.73 -4.78 119.36 115.73 3gnd n ILE 43 Ca -0.00 -0.10 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 3gnd n ILE 43 Cb 0.55 -2.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.37 3gnd n ILE 43 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3gnd s PHE 44 N -2.39 3.28 -0.45 1.39 0.08 0.23 -4.48 117.98 115.64 3gnd s PHE 44 Ca -0.29 -1.21 -0.45 0.00 0.12 0.00 0.00 56.93 55.10 3gnd s PHE 44 Cb 0.07 -2.71 -0.19 0.00 -0.57 0.00 0.00 43.02 39.62 3gnd s PHE 44 CO 0.59 -0.75 1.76 -1.71 -0.10 0.00 0.00 175.22 175.01 3gnd n ASN 45 N 4.98 1.39 -0.15 1.36 2.85 -0.75 -4.50 115.26 120.44 3gnd n ASN 45 Ca -0.11 1.04 0.13 0.00 -0.11 0.00 0.00 54.58 55.52 3gnd n ASN 45 Cb 0.44 -0.95 0.47 0.00 1.24 0.00 0.00 39.78 40.99 3gnd n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gnd h PRO 46 N 6.50 0.47 0.46 1.20 0.11 -1.91 1.16 132.00 139.99 3gnd h PRO 46 Ca -0.37 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3gnd h PRO 46 Cb 1.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gnd h PRO 46 CO 1.00 0.31 -0.22 0.87 -0.21 0.00 0.00 178.00 179.75 3gnd h LYS 47 N 0.48 -0.59 0.00 1.05 1.79 -1.98 -3.35 116.57 113.98 3gnd h LYS 47 Ca 0.34 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 3gnd h LYS 47 Cb 0.66 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 3gnd h LYS 47 CO -0.11 -0.39 -0.48 1.79 -1.08 0.00 0.00 179.45 179.18 3gnd h THR 48 N -0.99 0.26 -0.11 -0.16 1.35 -1.88 -3.47 112.91 107.90 3gnd h THR 48 Ca -0.06 -1.40 -0.05 0.00 -0.55 0.00 0.00 66.41 64.35 3gnd h THR 48 Cb 0.47 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3gnd h THR 48 CO 0.10 0.15 -0.04 0.61 -0.25 0.00 0.00 175.52 176.09 3gnd n GLY 49 N 1.18 0.53 3.60 5.82 0.00 0.40 -5.02 105.19 111.70 3gnd n GLY 49 Ca 0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3gnd n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gnd s LYS 50 N -1.29 1.97 -0.08 1.61 1.02 -1.24 -4.79 119.74 116.94 3gnd s LYS 50 Ca 0.00 -2.19 -0.11 0.00 0.02 0.00 0.00 55.97 53.69 3gnd s LYS 50 Cb 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 37.83 36.24 3gnd s LYS 50 CO 0.00 -0.33 0.28 -0.08 -0.92 0.00 0.00 175.35 174.30 3gnd s THR 51 N -3.05 0.02 -0.33 2.17 -1.32 -0.62 -1.80 115.64 110.71 3gnd s THR 51 Ca 0.22 -0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 60.47 3gnd s THR 51 Cb 0.04 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.62 3gnd s THR 51 CO 0.11 -0.09 0.09 -0.69 -2.21 0.00 0.00 174.62 171.84 3gnd s VAL 52 N -0.31 3.78 -0.20 5.08 1.01 -1.26 -1.78 120.40 126.71 3gnd s VAL 52 Ca -0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 3gnd s VAL 52 Cb -0.03 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3gnd s VAL 52 CO 0.01 -0.12 -0.02 -0.32 0.00 0.00 0.00 175.10 174.65 3gnd s MET 53 N 1.41 3.55 -0.44 2.72 0.00 0.39 -1.83 119.30 125.11 3gnd s MET 53 Ca -0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 55.69 54.91 3gnd s MET 53 Cb -0.19 -3.04 0.02 0.00 0.00 0.00 0.00 34.83 31.62 3gnd s MET 53 CO 0.02 -0.02 0.69 -1.17 0.00 0.00 0.00 175.02 174.54 3gnd s LEU 54 N 1.07 4.41 -0.25 4.11 2.96 -0.38 -1.70 118.68 128.90 3gnd s LEU 54 Ca 0.02 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 3gnd s LEU 54 Cb -0.14 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 3gnd s LEU 54 CO 0.01 -0.82 0.15 0.00 -1.32 0.00 0.00 176.35 174.37 3gnd s ALA 55 N 2.98 3.51 -0.29 5.97 0.00 0.74 -1.69 121.76 132.97 3gnd s ALA 55 Ca 0.25 -0.96 0.20 0.00 0.00 0.00 0.00 51.96 51.45 3gnd s ALA 55 Cb -0.13 -2.30 0.48 0.00 0.00 0.00 0.00 23.12 21.17 3gnd s ALA 55 CO 0.20 -0.30 1.04 1.97 0.00 0.00 0.00 175.76 178.67 3gnd n PHE 56 N 4.52 1.29 1.11 0.00 1.16 -0.45 -4.29 117.46 120.81 3gnd n PHE 56 Ca -0.15 -2.46 0.12 0.00 -1.87 0.00 0.00 57.45 53.09 3gnd n PHE 56 Cb 0.52 -0.30 0.17 0.00 -1.61 0.00 0.00 39.48 38.26 3gnd n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gnd n ASP 57 N -0.36 2.08 -0.39 5.98 5.75 -1.24 -4.58 116.55 123.80 3gnd n ASP 57 Ca 0.09 -1.56 0.32 0.00 -0.01 0.00 0.00 54.79 53.64 3gnd n ASP 57 Cb 0.81 0.20 0.62 0.00 -1.03 0.00 0.00 41.12 41.73 3gnd n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gnd h HIS 58 N 2.92 0.45 0.00 2.11 3.86 -1.93 0.58 115.15 123.14 3gnd h HIS 58 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3gnd h HIS 58 Cb 0.75 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3gnd h HIS 58 CO 0.00 -0.05 0.00 0.78 0.86 0.00 0.00 177.93 179.52 3gnd h GLY 59 N 0.19 0.00 1.75 2.45 0.00 -1.81 -2.69 103.07 102.95 3gnd h GLY 59 Ca 0.69 0.00 0.03 0.00 0.00 0.00 0.00 47.33 48.05 3gnd h GLY 59 CO -0.27 0.00 0.10 0.10 0.00 0.00 0.00 176.54 176.47 3gnd h TYR 60 N 0.00 0.00 0.00 5.60 -0.00 -1.18 -1.54 116.97 119.85 3gnd h TYR 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3gnd h TYR 60 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.84 3gnd h TYR 60 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 178.16 180.13 3gnd n PHE 61 N -3.99 0.00 0.44 0.10 1.16 -1.19 -4.74 117.46 109.24 3gnd n PHE 61 Ca -0.01 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.62 3gnd n PHE 61 Cb 0.21 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.06 3gnd n PHE 61 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gnd n GLN 62 N -0.07 2.44 0.00 3.97 6.02 -1.02 -2.20 117.38 126.52 3gnd n GLN 62 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3gnd n GLN 62 Cb 0.13 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.34 3gnd n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gnd n GLY 63 N 0.96 0.38 3.57 1.08 0.00 -0.60 -4.35 105.19 106.23 3gnd n GLY 63 Ca 0.04 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3gnd n GLY 63 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gnd s PRO 64 N 0.00 2.83 0.64 1.61 0.02 -1.26 -4.12 135.00 134.71 3gnd s PRO 64 Ca 0.00 -1.00 -0.16 0.00 0.02 0.00 0.00 61.00 59.87 3gnd s PRO 64 Cb 0.00 -5.24 -0.01 0.00 0.02 0.00 0.00 34.50 29.27 3gnd s PRO 64 CO 0.00 -3.38 1.11 -0.08 -0.33 0.00 0.00 177.00 174.31 3gnd s THR 65 N 9.20 3.30 0.16 0.99 -1.32 -1.26 -4.78 115.64 121.93 3gnd s THR 65 Ca 0.65 0.63 -0.32 0.00 -1.21 0.00 0.00 61.69 61.43 3gnd s THR 65 Cb -0.02 -3.16 -0.12 0.00 -1.51 0.00 0.00 72.50 67.69 3gnd s THR 65 CO 0.06 -0.35 1.72 0.41 -2.21 0.00 0.00 174.62 174.25 3gnd n THR 66 N -2.24 0.13 0.00 5.08 -1.04 -1.26 -1.32 114.28 113.62 3gnd n THR 66 Ca 0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gnd n THR 66 Cb 0.52 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3gnd n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gnd n GLY 67 N 3.91 3.40 0.44 3.41 0.00 -1.26 -4.86 105.19 110.24 3gnd n GLY 67 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3gnd n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnd n LEU 68 N 0.00 3.00 -0.10 0.99 4.77 -0.43 -4.63 117.00 120.58 3gnd n LEU 68 Ca 0.00 -3.15 -0.09 0.00 -0.03 0.00 0.00 56.01 52.74 3gnd n LEU 68 Cb 0.00 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 3gnd n LEU 68 CO 0.00 0.77 1.00 -0.33 -1.33 0.00 0.00 177.39 177.50 3gnd h GLU 69 N 0.73 0.46 -2.77 3.23 3.07 -1.85 -3.36 114.58 114.09 3gnd h GLU 69 Ca 0.01 -0.04 -0.61 0.00 -0.50 0.00 0.00 59.36 58.23 3gnd h GLU 69 Cb 1.19 -0.10 -0.41 0.00 -0.84 0.00 0.00 28.75 28.59 3gnd h GLU 69 CO 0.10 0.34 -0.67 0.54 -1.40 0.00 0.00 179.01 177.91 3gnd n ARG 70 N -4.82 1.59 -0.30 2.33 5.12 -1.26 -4.93 116.66 114.39 3gnd n ARG 70 Ca -0.01 -4.23 0.11 0.00 -1.93 0.00 0.00 57.85 51.79 3gnd n ARG 70 Cb 0.04 -2.13 0.27 0.00 -1.16 0.00 0.00 32.46 29.49 3gnd n ARG 70 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3gnd h ILE 71 N 4.14 0.59 0.00 0.55 1.08 -1.89 0.57 117.51 122.55 3gnd h ILE 71 Ca 0.18 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3gnd h ILE 71 Cb 0.77 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 3gnd h ILE 71 CO 0.66 0.09 -0.01 -2.24 -0.69 0.00 0.00 178.15 175.97 3gnd h ASP 72 N 0.50 0.00 0.00 1.72 2.03 -1.91 -0.21 116.42 118.55 3gnd h ASP 72 Ca 0.52 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.60 3gnd h ASP 72 Cb 0.89 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.35 3gnd h ASP 72 CO -0.45 0.01 -1.65 -0.38 -1.03 0.00 0.00 179.24 175.73 3gnd n ILE 73 N -3.85 1.20 0.12 4.15 5.41 -0.10 -4.29 119.36 122.00 3gnd n ILE 73 Ca -0.03 -0.11 -0.24 0.00 1.00 0.00 0.00 62.75 63.37 3gnd n ILE 73 Cb 0.09 -1.89 -0.15 0.00 -0.71 0.00 0.00 39.64 36.98 3gnd n ILE 73 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3gnd h ASN 74 N -0.71 0.86 0.61 4.38 4.21 -1.03 -3.36 115.58 120.54 3gnd h ASN 74 Ca -0.34 -0.86 -0.25 0.00 1.21 0.00 0.00 56.30 56.07 3gnd h ASN 74 Cb 1.20 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 38.08 3gnd h ASN 74 CO -0.20 1.66 -1.55 0.40 -1.29 0.00 0.00 177.43 176.45 3gnd h ILE 75 N 0.20 0.79 -0.58 2.81 1.08 -1.41 -3.39 117.51 117.02 3gnd h ILE 75 Ca -0.23 -2.52 0.12 0.00 -0.39 0.00 0.00 64.86 61.84 3gnd h ILE 75 Cb 2.06 2.33 -0.10 0.00 -3.07 0.00 0.00 36.82 38.04 3gnd h ILE 75 CO 0.26 0.45 -0.05 0.00 -0.69 0.00 0.00 178.15 178.12 3gnd h ALA 76 N 1.14 0.50 0.00 1.87 0.00 -1.22 -0.19 119.26 121.36 3gnd h ALA 76 Ca -0.23 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gnd h ALA 76 Cb 1.86 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.00 3gnd h ALA 76 CO 0.07 -0.41 0.00 -2.30 0.00 0.00 0.00 179.25 176.61 3gnd n PRO 77 N -5.32 0.16 0.06 0.00 -0.02 -1.26 -2.55 135.00 126.07 3gnd n PRO 77 Ca 0.07 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 3gnd n PRO 77 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 3gnd n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gnd n LEU 78 N -1.31 0.82 -0.11 2.45 4.77 -0.09 -4.54 117.00 118.98 3gnd n LEU 78 Ca 0.06 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 3gnd n LEU 78 Cb 0.11 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3gnd n LEU 78 CO 0.10 0.02 0.71 -0.26 -1.33 0.00 0.00 177.39 176.63 3gnd h PHE 79 N 0.00 -0.56 -0.31 -1.77 0.04 -1.50 -0.20 116.94 112.64 3gnd h PHE 79 Ca -0.10 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.80 3gnd h PHE 79 Cb 1.36 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.80 3gnd h PHE 79 CO 0.00 -0.30 0.24 1.05 -0.60 0.00 0.00 178.31 178.71 3gnd h GLU 80 N -0.15 0.00 -0.17 1.51 4.11 -1.81 0.70 114.58 118.77 3gnd h GLU 80 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3gnd h GLU 80 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3gnd h GLU 80 CO -0.48 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.32 3gnd n HIS 81 N -4.30 0.23 -4.22 2.06 8.25 -0.09 -4.85 115.22 112.30 3gnd n HIS 81 Ca 0.05 -0.11 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 3gnd n HIS 81 Cb 0.41 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 3gnd n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gnd s ALA 82 N -1.77 2.99 0.00 -1.41 0.00 0.24 -4.88 121.76 116.93 3gnd s ALA 82 Ca 0.23 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 3gnd s ALA 82 Cb 0.12 -0.90 -0.20 0.00 0.00 0.00 0.00 23.12 22.14 3gnd s ALA 82 CO 0.17 0.61 1.18 -0.44 0.00 0.00 0.00 175.76 177.28 3gnd h ASP 83 N 3.44 0.38 -4.68 0.00 3.32 -1.65 -3.47 116.42 113.76 3gnd h ASP 83 Ca -0.48 -0.65 -0.16 0.00 0.02 0.00 0.00 57.03 55.75 3gnd h ASP 83 Cb 1.17 -0.11 -0.22 0.00 0.22 0.00 0.00 39.33 40.39 3gnd h ASP 83 CO 0.53 0.97 -0.56 0.54 -1.72 0.00 0.00 179.24 179.00 3gnd s VAL 84 N -3.62 0.07 -0.12 -1.35 0.11 -1.17 -4.24 120.40 110.09 3gnd s VAL 84 Ca -0.14 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 3gnd s VAL 84 Cb 0.03 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3gnd s VAL 84 CO 0.77 -0.31 0.11 -0.76 -3.33 0.00 0.00 175.10 171.58 3gnd s LEU 85 N -1.04 4.20 -0.12 2.54 1.43 0.36 -1.25 118.68 124.80 3gnd s LEU 85 Ca -0.11 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3gnd s LEU 85 Cb -0.06 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3gnd s LEU 85 CO 0.01 0.39 -0.17 -0.32 0.23 0.00 0.00 176.35 176.49 3gnd s MET 86 N -0.93 2.43 0.15 1.70 -2.45 -0.68 -0.19 119.30 119.34 3gnd s MET 86 Ca 0.14 -0.64 -0.19 0.00 -1.25 0.00 0.00 55.69 53.75 3gnd s MET 86 Cb -0.12 -2.03 0.07 0.00 1.25 0.00 0.00 34.83 34.00 3gnd s MET 86 CO 0.03 -0.04 0.91 0.00 1.05 0.00 0.00 175.02 176.97 3gnd s THR 88 N -2.12 3.17 0.23 0.00 -4.23 -1.26 -0.79 115.64 110.63 3gnd s THR 88 Ca 0.20 -0.10 0.17 0.00 -1.18 0.00 0.00 61.69 60.78 3gnd s THR 88 Cb -0.02 -3.29 0.11 0.00 1.34 0.00 0.00 72.50 70.64 3gnd s THR 88 CO 0.05 -0.30 1.74 0.08 -0.54 0.00 0.00 174.62 175.65 3gnd h ARG 89 N -0.32 0.00 0.60 3.99 0.11 -1.97 -1.30 114.38 115.49 3gnd h ARG 89 Ca -0.45 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.60 3gnd h ARG 89 Cb 1.28 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.36 3gnd h ARG 89 CO 0.60 0.40 -0.29 0.78 0.10 0.00 0.00 179.97 181.57 3gnd h GLY 90 N 1.84 -0.85 0.97 0.08 0.00 -1.97 -2.06 103.07 101.08 3gnd h GLY 90 Ca -0.00 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 3gnd h GLY 90 CO 0.05 -0.31 0.16 -2.22 0.00 0.00 0.00 176.54 174.23 3gnd h ILE 91 N -0.86 1.22 -0.18 2.60 1.08 -1.96 -2.24 117.51 117.17 3gnd h ILE 91 Ca -0.08 -0.73 0.05 0.00 -0.39 0.00 0.00 64.86 63.71 3gnd h ILE 91 Cb 0.64 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.11 3gnd h ILE 91 CO 0.14 0.27 -0.40 0.25 -0.69 0.00 0.00 178.15 177.72 3gnd h LEU 92 N 0.64 -1.26 -0.61 1.44 5.85 -1.22 -0.44 115.31 119.71 3gnd h LEU 92 Ca 0.16 0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.93 3gnd h LEU 92 Cb 0.25 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3gnd h LEU 92 CO -0.01 -0.40 -0.25 0.03 -0.34 0.00 0.00 178.44 177.47 3gnd h ARG 93 N -0.44 0.83 0.02 1.25 3.08 -1.34 -2.93 114.38 114.85 3gnd h ARG 93 Ca 0.09 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3gnd h ARG 93 Cb 0.60 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.64 3gnd h ARG 93 CO -0.42 0.99 -0.53 0.66 -1.07 0.00 0.00 179.97 179.60 3gnd h SER 94 N 0.72 0.43 0.00 7.04 4.64 -0.90 -3.42 113.55 122.06 3gnd h SER 94 Ca 0.09 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 3gnd h SER 94 Cb 0.79 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3gnd h SER 94 CO 0.06 1.17 0.00 1.33 -0.87 0.00 0.00 176.83 178.53 3gnd n VAL 95 N -4.29 0.00 -3.10 0.95 0.24 -0.22 -4.97 118.33 106.94 3gnd n VAL 95 Ca -0.11 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.34 61.56 3gnd n VAL 95 Cb 0.64 1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 34.16 3gnd n VAL 95 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gnd s VAL 96 N -0.27 4.84 0.09 3.34 1.01 -1.09 -4.76 120.40 123.56 3gnd s VAL 96 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 3gnd s VAL 96 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 3gnd s VAL 96 CO 0.00 -0.51 1.51 -2.84 0.00 0.00 0.00 175.10 173.26 3gnd s PRO 97 N 2.81 4.25 0.56 2.72 0.02 -1.26 -4.73 135.00 139.37 3gnd s PRO 97 Ca 0.23 2.19 0.28 0.00 0.02 0.00 0.00 61.00 63.72 3gnd s PRO 97 Cb -0.14 -3.41 1.48 0.00 0.02 0.00 0.00 34.50 32.45 3gnd s PRO 97 CO 0.18 -0.60 1.97 -1.35 -0.33 0.00 0.00 177.00 176.87 3gnd h PRO 98 N 7.50 0.00 0.00 5.54 0.11 -1.96 0.27 132.00 143.46 3gnd h PRO 98 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gnd h PRO 98 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gnd h PRO 98 CO 0.90 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 3gnd n ALA 99 N -2.48 1.78 0.18 -0.75 0.00 -1.26 -2.47 120.51 115.51 3gnd n ALA 99 Ca 0.08 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.64 3gnd n ALA 99 Cb 0.61 -1.25 0.81 0.00 0.00 0.00 0.00 19.45 19.61 3gnd n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gnd h THR 100 N 0.00 0.39 -6.65 0.00 2.02 -0.84 -3.45 112.91 104.37 3gnd h THR 100 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 3gnd h THR 100 Cb 0.21 0.76 -0.11 0.00 -1.74 0.00 0.00 68.15 67.27 3gnd h THR 100 CO 0.00 0.00 -0.90 -3.20 0.37 0.00 0.00 175.52 171.79 3gnd n ASN 101 N -3.68 -0.41 -4.05 4.18 5.15 -1.03 -4.91 115.26 110.50 3gnd n ASN 101 Ca 0.03 -1.07 -0.21 0.00 -0.60 0.00 0.00 54.58 52.74 3gnd n ASN 101 Cb 0.43 -2.71 -0.15 0.00 -0.53 0.00 0.00 39.78 36.82 3gnd n ASN 101 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3gnd s ARG 102 N -6.77 1.04 0.45 1.20 6.06 -1.26 -5.13 118.95 114.53 3gnd s ARG 102 Ca 0.10 -0.40 -0.25 0.00 -2.50 0.00 0.00 55.73 52.68 3gnd s ARG 102 Cb -0.05 -0.98 -0.08 0.00 0.06 0.00 0.00 34.95 33.90 3gnd s ARG 102 CO 0.92 0.20 1.37 -2.14 -2.50 0.00 0.00 175.30 173.15 3gnd s PRO 103 N -0.08 3.72 0.14 5.12 0.02 -1.26 -4.79 135.00 137.87 3gnd s PRO 103 Ca 0.01 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.43 3gnd s PRO 103 Cb -0.07 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3gnd s PRO 103 CO 0.00 -0.75 -0.25 0.14 -0.33 0.00 0.00 177.00 175.82 3gnd s VAL 104 N -1.24 2.16 -0.19 3.83 -7.23 -1.26 -0.49 120.40 115.98 3gnd s VAL 104 Ca 0.61 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3gnd s VAL 104 Cb -0.41 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.61 3gnd s VAL 104 CO 0.52 -0.02 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.44 3gnd s VAL 105 N -1.31 1.92 -0.05 1.32 1.01 0.74 -1.22 120.40 122.82 3gnd s VAL 105 Ca 0.15 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 3gnd s VAL 105 Cb -0.09 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3gnd s VAL 105 CO 0.07 0.41 0.58 -0.76 0.00 0.00 0.00 175.10 175.40 3gnd s LEU 106 N 1.32 4.36 -0.06 3.92 1.43 -0.58 -2.62 118.68 126.45 3gnd s LEU 106 Ca 0.03 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 3gnd s LEU 106 Cb -0.14 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 3gnd s LEU 106 CO -0.11 0.03 1.87 -0.60 0.23 0.00 0.00 176.35 177.76 3gnd s ARG 107 N 0.25 3.97 -0.23 1.70 6.06 0.03 -0.90 118.95 129.82 3gnd s ARG 107 Ca 0.31 2.29 0.11 0.00 -2.50 0.00 0.00 55.73 55.94 3gnd s ARG 107 Cb -0.17 -4.13 0.44 0.00 0.06 0.00 0.00 34.95 31.16 3gnd s ARG 107 CO 0.15 -1.12 1.30 0.00 -2.50 0.00 0.00 175.30 173.14 3gnd n ALA 108 N 8.10 3.79 -2.18 6.12 0.00 0.21 -4.57 120.51 131.99 3gnd n ALA 108 Ca 0.20 -3.18 -0.11 0.00 0.00 0.00 0.00 53.44 50.35 3gnd n ALA 108 Cb 0.43 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 3gnd n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gnd s SER 109 N -2.94 0.23 0.00 0.00 1.04 -1.24 -0.56 113.70 110.22 3gnd s SER 109 Ca 0.40 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3gnd s SER 109 Cb 0.38 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3gnd s SER 109 CO -0.04 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3gnd n GLY 110 N -0.19 -0.51 2.00 7.32 0.00 -0.70 -4.59 105.19 108.52 3gnd n GLY 110 Ca -0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 3gnd n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd n ALA 111 N 0.00 -0.00 -2.41 4.61 0.00 -1.26 -0.32 120.51 121.14 3gnd n ALA 111 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3gnd n ALA 111 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 3gnd n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gnd s ASN 112 N -2.18 4.55 0.25 0.00 4.22 -1.24 -4.79 114.94 115.76 3gnd s ASN 112 Ca 0.00 -1.07 -0.17 0.00 -2.14 0.00 0.00 52.86 49.47 3gnd s ASN 112 Cb 0.00 -0.31 0.01 0.00 1.28 0.00 0.00 41.25 42.24 3gnd s ASN 112 CO 0.00 -0.66 0.59 -0.94 -2.04 0.00 0.00 177.10 174.05 3gnd s SER 113 N -4.00 -0.21 0.00 3.54 1.04 -1.26 -4.55 113.70 108.26 3gnd s SER 113 Ca 0.40 -0.67 0.18 0.00 0.48 0.00 0.00 55.95 56.33 3gnd s SER 113 Cb 0.02 0.64 0.95 0.00 0.10 0.00 0.00 66.02 67.73 3gnd s SER 113 CO 0.22 -1.20 1.50 2.30 0.98 0.00 0.00 173.24 177.04 3gnd n ILE 114 N -0.40 0.31 1.19 -1.02 -5.35 -0.94 -2.30 119.36 110.85 3gnd n ILE 114 Ca -0.05 0.08 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 3gnd n ILE 114 Cb 0.61 -0.79 0.26 0.00 -1.74 0.00 0.00 39.64 37.97 3gnd n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gnd n LEU 115 N -1.18 1.80 0.00 7.28 4.77 -1.26 -4.98 117.00 123.43 3gnd n LEU 115 Ca 0.10 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3gnd n LEU 115 Cb 0.11 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3gnd n LEU 115 CO 0.12 0.32 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 3gnd n ALA 116 N 0.11 0.00 -1.96 -1.18 0.00 -0.97 -5.10 120.51 111.41 3gnd n ALA 116 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 3gnd n ALA 116 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 3gnd n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gnd s GLU 117 N 0.12 4.18 0.31 0.00 2.56 -1.26 -4.79 118.70 119.82 3gnd s GLU 117 Ca 0.00 2.26 0.01 0.00 0.00 0.00 0.00 54.97 57.23 3gnd s GLU 117 Cb 0.00 -3.94 0.51 0.00 2.00 0.00 0.00 34.13 32.70 3gnd s GLU 117 CO 0.00 -0.84 1.90 1.25 -0.56 0.00 0.00 175.26 177.01 3gnd h LEU 118 N 9.99 0.72 -0.03 2.70 5.85 -1.97 -2.72 115.31 129.85 3gnd h LEU 118 Ca -0.41 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3gnd h LEU 118 Cb 1.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3gnd h LEU 118 CO 0.95 0.65 0.00 -1.54 -0.34 0.00 0.00 178.44 178.16 3gnd n SER 119 N -4.33 0.05 -3.97 1.25 3.41 -1.26 -4.54 113.62 104.23 3gnd n SER 119 Ca 0.04 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.76 3gnd n SER 119 Cb 0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3gnd n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gnd n ASN 120 N -0.74 5.18 -4.72 4.04 5.15 -1.02 -4.44 115.26 118.70 3gnd n ASN 120 Ca 0.13 -3.11 -0.32 0.00 -0.60 0.00 0.00 54.58 50.69 3gnd n ASN 120 Cb 0.07 -1.48 -0.08 0.00 -0.53 0.00 0.00 39.78 37.76 3gnd n ASN 120 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3gnd s GLU 121 N 0.39 2.81 0.38 1.20 2.02 -1.26 -3.61 118.70 120.63 3gnd s GLU 121 Ca 0.40 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.80 3gnd s GLU 121 Cb 0.07 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.54 3gnd s GLU 121 CO 0.01 0.60 -0.01 0.00 0.02 0.00 0.00 175.26 175.88 3gnd s ALA 122 N -1.22 3.01 0.14 5.21 0.00 0.57 -4.65 121.76 124.82 3gnd s ALA 122 Ca 0.23 -2.23 -0.31 0.00 0.00 0.00 0.00 51.96 49.66 3gnd s ALA 122 Cb -0.12 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 3gnd s ALA 122 CO 0.15 -0.10 1.40 0.08 0.00 0.00 0.00 175.76 177.29 3gnd s VAL 123 N -2.76 3.19 -1.75 0.00 1.01 -1.26 -1.72 120.40 117.11 3gnd s VAL 123 Ca 0.34 0.87 0.18 0.00 0.00 0.00 0.00 61.98 63.38 3gnd s VAL 123 Cb 0.08 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3gnd s VAL 123 CO 0.17 0.08 0.95 0.00 0.00 0.00 0.00 175.10 176.30 3gnd n ALA 124 N 3.72 3.23 -3.61 5.51 0.00 0.27 -4.84 120.51 124.79 3gnd n ALA 124 Ca 0.11 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 3gnd n ALA 124 Cb 0.42 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 3gnd n ALA 124 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gnd s LEU 125 N -2.13 -0.72 0.48 0.00 0.05 -1.26 -4.88 118.68 110.22 3gnd s LEU 125 Ca 0.16 1.31 -0.21 0.00 0.05 0.00 0.00 54.13 55.44 3gnd s LEU 125 Cb 0.15 2.45 -0.08 0.00 -2.05 0.00 0.00 46.19 46.66 3gnd s LEU 125 CO 0.44 -0.30 1.05 -0.94 -0.55 0.00 0.00 176.35 176.06 3gnd s SER 126 N 0.13 6.30 0.40 1.48 1.04 -1.26 -4.89 113.70 116.90 3gnd s SER 126 Ca -0.01 1.98 0.07 0.00 0.48 0.00 0.00 55.95 58.46 3gnd s SER 126 Cb -0.04 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.34 3gnd s SER 126 CO 0.02 -0.81 2.03 -0.03 0.98 0.00 0.00 173.24 175.43 3gnd h MET 127 N 1.62 0.51 -0.58 4.02 4.05 -1.99 0.13 114.93 122.69 3gnd h MET 127 Ca -0.49 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 58.96 3gnd h MET 127 Cb 1.23 -0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.81 3gnd h MET 127 CO 0.59 0.38 -0.47 0.22 0.23 0.00 0.00 176.91 177.86 3gnd h ASP 128 N 0.52 -1.60 1.00 1.39 3.58 -1.97 0.11 116.42 119.44 3gnd h ASP 128 Ca 0.13 0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 3gnd h ASP 128 Cb 0.02 0.71 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3gnd h ASP 128 CO -0.02 -0.34 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.00 3gnd h ASP 129 N -0.24 0.00 -0.31 2.28 3.58 -1.37 -1.65 116.42 118.71 3gnd h ASP 129 Ca 0.16 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 3gnd h ASP 129 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3gnd h ASP 129 CO -0.69 0.22 -0.13 0.00 -2.88 0.00 0.00 179.24 175.76 3gnd h ALA 130 N 1.78 0.44 -0.65 -0.78 0.00 -0.38 -1.56 119.26 118.10 3gnd h ALA 130 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3gnd h ALA 130 Cb 0.78 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3gnd h ALA 130 CO 0.03 0.32 0.20 0.28 0.00 0.00 0.00 179.25 180.08 3gnd h VAL 131 N 0.40 1.25 -0.60 0.00 2.07 -0.85 -2.38 116.25 116.15 3gnd h VAL 131 Ca 0.07 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3gnd h VAL 131 Cb 0.64 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3gnd h VAL 131 CO 0.04 0.33 0.40 -0.09 0.02 0.00 0.00 177.57 178.27 3gnd h ARG 132 N 0.95 0.62 -0.23 1.57 2.43 -1.08 -1.68 114.38 116.96 3gnd h ARG 132 Ca 0.21 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3gnd h ARG 132 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3gnd h ARG 132 CO -0.01 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 180.15 3gnd n LEU 133 N -4.47 1.67 -3.64 3.80 4.77 -0.61 -4.94 117.00 113.59 3gnd n LEU 133 Ca 0.08 -0.76 -0.24 0.00 -0.03 0.00 0.00 56.01 55.06 3gnd n LEU 133 Cb 0.19 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3gnd n LEU 133 CO 0.34 0.38 0.20 -3.20 -1.33 0.00 0.00 177.39 173.78 3gnd n ASN 134 N 0.36 -5.42 -4.75 -1.43 5.15 -0.63 -4.96 115.26 103.57 3gnd n ASN 134 Ca 0.14 -0.60 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 3gnd n ASN 134 Cb 0.30 -4.81 0.07 0.00 -0.53 0.00 0.00 39.78 34.82 3gnd n ASN 134 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gnd s SER 135 N -3.48 4.67 0.06 1.20 0.01 -0.97 -4.77 113.70 110.43 3gnd s SER 135 Ca 0.51 2.06 0.20 0.00 1.31 0.00 0.00 55.95 60.03 3gnd s SER 135 Cb -0.23 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.29 3gnd s SER 135 CO 0.75 -1.93 0.73 0.00 0.41 0.00 0.00 173.24 173.21 3gnd s ALA 137 N -3.13 -1.69 0.03 0.00 0.00 -1.24 -4.27 121.76 111.47 3gnd s ALA 137 Ca -0.04 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.48 3gnd s ALA 137 Cb 0.10 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3gnd s ALA 137 CO 0.83 -0.88 -0.26 0.14 0.00 0.00 0.00 175.76 175.58 3gnd s VAL 138 N -3.30 2.15 -0.02 0.00 -7.23 -0.80 -1.53 120.40 109.67 3gnd s VAL 138 Ca 0.08 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.97 3gnd s VAL 138 Cb -0.01 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 3gnd s VAL 138 CO -0.03 0.40 -0.17 0.00 -0.31 0.00 0.00 175.10 175.00 3gnd s ALA 139 N -0.78 1.39 0.08 1.32 0.00 -0.08 0.34 121.76 124.03 3gnd s ALA 139 Ca 0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3gnd s ALA 139 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gnd s ALA 139 CO 0.02 0.33 0.13 0.00 0.00 0.00 0.00 175.76 176.23 3gnd s ALA 140 N -0.33 0.01 0.05 0.00 0.00 -0.84 0.67 121.76 121.32 3gnd s ALA 140 Ca 0.05 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 3gnd s ALA 140 Cb -0.07 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 3gnd s ALA 140 CO -0.00 -0.47 0.50 -0.65 0.00 0.00 0.00 175.76 175.14 3gnd s GLN 141 N -3.88 4.07 -0.12 0.00 -1.52 -1.26 -0.98 119.66 115.96 3gnd s GLN 141 Ca 0.06 0.58 -0.00 0.00 -1.95 0.00 0.00 55.36 54.05 3gnd s GLN 141 Cb 0.06 -3.20 -0.02 0.00 -0.22 0.00 0.00 33.01 29.63 3gnd s GLN 141 CO -0.10 0.64 -0.13 0.54 -0.25 0.00 0.00 175.29 176.00 3gnd s VAL 142 N -1.14 3.10 -0.74 1.09 0.11 0.15 -4.75 120.40 118.21 3gnd s VAL 142 Ca 0.28 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 3gnd s VAL 142 Cb -0.18 -2.30 0.25 0.00 -1.53 0.00 0.00 36.38 32.62 3gnd s VAL 142 CO 0.17 0.53 0.84 -1.22 -3.33 0.00 0.00 175.10 172.09 3gnd n TYR 143 N 3.42 3.44 -2.07 1.54 4.01 -1.26 -1.01 117.16 125.23 3gnd n TYR 143 Ca -0.18 -3.92 -0.42 0.00 -0.16 0.00 0.00 57.90 53.22 3gnd n TYR 143 Cb 0.53 -0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 3gnd n TYR 143 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gnd s ILE 144 N -2.31 2.87 0.00 -0.72 -1.09 -1.26 -2.12 121.20 116.57 3gnd s ILE 144 Ca 0.36 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 3gnd s ILE 144 Cb 0.09 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3gnd s ILE 144 CO -0.02 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 3gnd n GLY 145 N 2.75 2.52 3.96 6.18 0.00 -1.26 -4.98 105.19 114.36 3gnd n GLY 145 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3gnd n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gnd s SER 146 N -1.92 4.29 0.21 1.61 0.01 -0.90 -4.99 113.70 112.01 3gnd s SER 146 Ca 0.00 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.20 3gnd s SER 146 Cb 0.00 -0.45 0.17 0.00 0.21 0.00 0.00 66.02 65.94 3gnd s SER 146 CO 0.00 -1.92 1.85 -0.08 0.41 0.00 0.00 173.24 173.50 3gnd h GLU 147 N -0.74 1.09 -0.93 12.44 4.81 -1.93 -2.79 114.58 126.53 3gnd h GLU 147 Ca -0.41 -0.11 -0.57 0.00 -0.13 0.00 0.00 59.36 58.15 3gnd h GLU 147 Cb 1.28 -0.22 -0.29 0.00 0.63 0.00 0.00 28.75 30.14 3gnd h GLU 147 CO 0.46 0.78 0.60 0.66 -0.73 0.00 0.00 179.01 180.79 3gnd n TYR 148 N -4.45 2.96 -0.12 0.92 4.01 -1.26 -4.67 117.16 114.54 3gnd n TYR 148 Ca 0.08 -2.40 -0.05 0.00 -0.16 0.00 0.00 57.90 55.36 3gnd n TYR 148 Cb 0.07 -1.11 0.03 0.00 -0.31 0.00 0.00 39.34 38.03 3gnd n TYR 148 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gnd h GLU 149 N 1.54 0.23 -0.27 -0.72 4.81 -1.61 -2.08 114.58 116.47 3gnd h GLU 149 Ca 0.57 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.84 3gnd h GLU 149 Cb 1.73 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.01 3gnd h GLU 149 CO 1.25 0.15 -0.05 1.25 -0.73 0.00 0.00 179.01 180.88 3gnd h HIS 150 N 0.24 -0.11 -0.51 0.92 2.76 -1.87 -2.01 115.15 114.56 3gnd h HIS 150 Ca 0.20 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 3gnd h HIS 150 Cb 0.22 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3gnd h HIS 150 CO -0.19 -0.10 0.12 0.37 -1.30 0.00 0.00 177.93 176.84 3gnd h GLN 151 N 0.02 0.83 -0.94 5.26 5.75 -1.88 -1.38 115.11 122.77 3gnd h GLN 151 Ca 0.13 -0.20 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3gnd h GLN 151 Cb 0.19 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 3gnd h GLN 151 CO -0.26 0.79 0.61 0.66 -2.65 0.00 0.00 178.83 177.98 3gnd h SER 152 N 0.72 0.96 -0.37 -0.69 4.64 -1.10 0.11 113.55 117.83 3gnd h SER 152 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 3gnd h SER 152 Cb 0.34 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3gnd h SER 152 CO 0.00 0.62 -0.36 0.40 -0.87 0.00 0.00 176.83 176.62 3gnd h ILE 153 N 1.10 1.28 -0.86 0.95 2.04 -0.75 -2.51 117.51 118.75 3gnd h ILE 153 Ca 0.40 -1.54 0.09 0.00 1.00 0.00 0.00 64.86 64.81 3gnd h ILE 153 Cb 0.16 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3gnd h ILE 153 CO -0.15 0.51 0.56 0.11 0.00 0.00 0.00 178.15 179.18 3gnd h LYS 154 N 0.70 0.84 -0.91 2.37 1.57 -0.63 -0.29 116.57 120.23 3gnd h LYS 154 Ca 0.06 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3gnd h LYS 154 Cb 0.96 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 3gnd h LYS 154 CO 0.09 0.55 0.56 -0.91 -0.57 0.00 0.00 179.45 179.17 3gnd h ASN 155 N 0.86 0.85 -0.31 0.86 2.35 -0.55 0.14 115.58 119.78 3gnd h ASN 155 Ca 0.39 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 56.12 3gnd h ASN 155 Cb 0.38 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3gnd h ASN 155 CO -0.16 0.51 -0.02 0.40 -1.65 0.00 0.00 177.43 176.50 3gnd h ILE 156 N 0.96 1.27 -0.86 2.81 1.08 -0.97 -2.07 117.51 119.74 3gnd h ILE 156 Ca 0.42 -1.01 0.07 0.00 -0.39 0.00 0.00 64.86 63.95 3gnd h ILE 156 Cb 0.29 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 3gnd h ILE 156 CO -0.21 0.32 0.52 0.40 -0.69 0.00 0.00 178.15 178.50 3gnd h ILE 157 N 0.35 1.02 -0.29 -0.67 2.04 -0.44 -0.58 117.51 118.93 3gnd h ILE 157 Ca 0.08 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 3gnd h ILE 157 Cb 0.48 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3gnd h ILE 157 CO 0.02 0.17 -0.47 -0.61 0.00 0.00 0.00 178.15 177.26 3gnd h GLN 158 N 0.94 0.84 -0.60 2.37 4.15 -0.65 -1.23 115.11 120.93 3gnd h GLN 158 Ca 0.38 -0.51 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3gnd h GLN 158 Cb 0.21 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3gnd h GLN 158 CO -0.19 1.14 0.05 -0.07 -1.93 0.00 0.00 178.83 177.84 3gnd h LEU 159 N 0.61 0.97 -0.13 -2.39 3.38 -1.05 -1.95 115.31 114.75 3gnd h LEU 159 Ca 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3gnd h LEU 159 Cb 1.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3gnd h LEU 159 CO 0.11 1.00 -0.03 0.58 0.09 0.00 0.00 178.44 180.18 3gnd h VAL 160 N 0.94 1.29 -0.58 1.22 2.07 -0.98 0.42 116.25 120.63 3gnd h VAL 160 Ca 0.18 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.85 3gnd h VAL 160 Cb 0.47 1.66 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 3gnd h VAL 160 CO 0.02 0.28 0.06 0.44 0.02 0.00 0.00 177.57 178.39 3gnd h ASP 161 N -0.05 -0.13 -0.27 0.57 3.32 -1.20 -0.40 116.42 118.25 3gnd h ASP 161 Ca 0.03 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3gnd h ASP 161 Cb 0.44 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3gnd h ASP 161 CO 0.01 -0.05 -0.29 0.00 -1.72 0.00 0.00 179.24 177.20 3gnd h ALA 162 N 1.49 0.40 -0.47 3.45 0.00 -1.13 -3.24 119.26 119.76 3gnd h ALA 162 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3gnd h ALA 162 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gnd h ALA 162 CO -0.44 0.41 0.18 0.78 0.00 0.00 0.00 179.25 180.18 3gnd h GLY 163 N 0.40 0.72 2.00 0.00 0.00 0.17 -3.07 103.07 103.29 3gnd h GLY 163 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3gnd h GLY 163 CO 0.07 0.33 -0.36 -0.33 0.00 0.00 0.00 176.54 176.25 3gnd h MET 164 N 0.67 0.00 0.00 4.80 2.07 -1.10 0.64 114.93 122.01 3gnd h MET 164 Ca 0.16 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.78 3gnd h MET 164 Cb 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.87 3gnd h MET 164 CO -0.02 0.36 -0.06 0.87 1.07 0.00 0.00 176.91 179.14 3gnd h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.61 -3.33 116.57 114.92 3gnd h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gnd h LYS 165 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3gnd h LYS 165 CO 0.05 0.06 -0.15 0.28 -0.57 0.00 0.00 179.45 179.12 3gnd n VAL 166 N -3.35 0.00 -1.02 0.50 0.31 -0.69 -5.01 118.33 109.07 3gnd n VAL 166 Ca -0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3gnd n VAL 166 Cb 0.22 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 3gnd n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gnd n GLY 167 N 0.89 0.62 3.54 2.92 0.00 0.21 -4.95 105.19 108.42 3gnd n GLY 167 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3gnd n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gnd s MET 168 N -2.12 3.56 0.59 1.61 0.00 -0.30 -3.81 119.30 118.83 3gnd s MET 168 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 55.69 55.09 3gnd s MET 168 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 34.83 30.99 3gnd s MET 168 CO 0.00 -0.54 1.32 -2.14 0.00 0.00 0.00 175.02 173.66 3gnd s PRO 169 N 2.05 2.88 -0.09 4.11 0.02 -1.26 -4.37 135.00 138.34 3gnd s PRO 169 Ca 0.12 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3gnd s PRO 169 Cb -0.16 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 3gnd s PRO 169 CO 0.12 -1.36 -0.12 0.99 -0.33 0.00 0.00 177.00 176.29 3gnd s THR 170 N -1.36 3.19 -0.26 0.99 2.01 -1.26 -1.90 115.64 117.04 3gnd s THR 170 Ca 0.77 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 3gnd s THR 170 Cb -0.38 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 3gnd s THR 170 CO 0.43 0.56 0.05 -0.32 -0.69 0.00 0.00 174.62 174.65 3gnd s MET 171 N -0.20 3.37 -0.12 4.92 1.75 0.15 -1.49 119.30 127.69 3gnd s MET 171 Ca 0.01 -0.66 -0.16 0.00 -1.25 0.00 0.00 55.69 53.63 3gnd s MET 171 Cb -0.13 -3.28 -0.05 0.00 2.84 0.00 0.00 34.83 34.22 3gnd s MET 171 CO 0.03 -0.29 0.40 0.00 -0.65 0.00 0.00 175.02 174.51 3gnd s ALA 172 N 1.54 3.55 -0.17 4.11 0.00 -0.21 -1.98 121.76 128.60 3gnd s ALA 172 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3gnd s ALA 172 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 3gnd s ALA 172 CO 0.02 0.10 -0.06 0.08 0.00 0.00 0.00 175.76 175.89 3gnd s VAL 173 N 0.35 3.46 -0.92 0.00 1.01 -0.15 -1.40 120.40 122.75 3gnd s VAL 173 Ca 0.22 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3gnd s VAL 173 Cb -0.14 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.77 3gnd s VAL 173 CO 0.08 0.47 1.34 0.42 0.00 0.00 0.00 175.10 177.42 3gnd s THR 174 N 0.78 3.99 0.18 3.92 -4.23 -0.48 0.31 115.64 120.12 3gnd s THR 174 Ca -0.02 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 59.77 3gnd s THR 174 Cb -0.15 -4.97 -0.08 0.00 1.34 0.00 0.00 72.50 68.65 3gnd s THR 174 CO 0.02 -1.84 0.65 -0.83 -0.54 0.00 0.00 174.62 172.08 3gnd s GLY 175 N 4.43 2.56 0.00 3.99 0.00 -0.18 -4.80 107.32 113.32 3gnd s GLY 175 Ca 0.40 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3gnd s GLY 175 CO -0.02 0.39 0.00 -0.62 0.00 0.00 0.00 173.10 172.84 3gnd n VAL 176 N 0.82 0.00 -0.86 1.40 0.31 -1.26 -4.36 118.33 114.38 3gnd n VAL 176 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.95 3gnd n VAL 176 Cb 0.51 -0.39 -0.05 0.00 -0.91 0.00 0.00 33.84 33.00 3gnd n VAL 176 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3gnd n VAL 181 N -0.14 0.00 -3.57 2.52 3.14 -1.26 -5.06 118.33 113.96 3gnd n VAL 181 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 3gnd n VAL 181 Cb 0.00 -0.10 -0.05 0.00 -1.06 0.00 0.00 33.84 32.62 3gnd n VAL 181 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3gnd s ARG 182 N 0.63 3.47 0.53 1.45 0.52 -1.26 -4.93 118.95 119.37 3gnd s ARG 182 Ca 0.52 -3.27 0.05 0.00 -0.52 0.00 0.00 55.73 52.51 3gnd s ARG 182 Cb -0.73 -4.08 0.02 0.00 0.52 0.00 0.00 34.95 30.68 3gnd s ARG 182 CO 0.36 -1.26 0.32 0.16 0.02 0.00 0.00 175.30 174.90 3gnd s ASP 183 N 0.17 4.53 0.14 0.23 -4.77 -1.26 -4.93 116.67 110.78 3gnd s ASP 183 Ca 0.28 -1.32 -0.17 0.00 -3.30 0.00 0.00 52.55 48.05 3gnd s ASP 183 Cb -0.08 0.40 -0.00 0.00 -1.09 0.00 0.00 42.92 42.15 3gnd s ASP 183 CO -0.12 -1.03 1.76 -0.61 0.70 0.00 0.00 175.17 175.87 3gnd h GLN 184 N 0.89 0.51 -0.69 2.11 -0.00 -1.92 -2.63 115.11 113.39 3gnd h GLN 184 Ca -0.38 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.21 3gnd h GLN 184 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.65 3gnd h GLN 184 CO 0.61 0.40 0.42 0.07 0.00 0.00 0.00 178.83 180.33 3gnd h ARG 185 N 0.48 0.92 0.80 1.69 0.11 -1.95 0.19 114.38 116.62 3gnd h ARG 185 Ca 0.13 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 60.10 3gnd h ARG 185 Cb 0.03 -0.20 0.01 0.00 1.11 0.00 0.00 29.97 30.92 3gnd h ARG 185 CO -0.02 0.64 -0.38 -0.92 0.10 0.00 0.00 179.97 179.38 3gnd h TYR 186 N 0.94 -0.99 0.00 4.08 3.20 -1.87 -2.51 116.97 119.81 3gnd h TYR 186 Ca 0.25 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3gnd h TYR 186 Cb -0.05 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3gnd h TYR 186 CO 0.00 -0.61 -0.12 0.74 -1.64 0.00 0.00 178.16 176.54 3gnd h PHE 187 N -1.23 0.00 0.03 -3.82 0.04 -1.28 -1.24 116.94 109.43 3gnd h PHE 187 Ca -0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 3gnd h PHE 187 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 3gnd h PHE 187 CO -0.00 0.12 -0.01 0.77 -0.60 0.00 0.00 178.31 178.58 3gnd h SER 188 N 0.00 -0.03 -0.11 2.17 0.02 -0.92 -0.23 113.55 114.44 3gnd h SER 188 Ca -0.00 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3gnd h SER 188 Cb 0.24 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 3gnd h SER 188 CO 0.01 -0.01 -0.28 0.25 -1.14 0.00 0.00 176.83 175.67 3gnd h LEU 189 N -0.05 -0.85 0.04 5.07 5.85 -0.84 -1.31 115.31 123.21 3gnd h LEU 189 Ca -0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3gnd h LEU 189 Cb 0.04 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3gnd h LEU 189 CO 0.01 -0.32 -0.02 0.00 -0.34 0.00 0.00 178.44 177.76 3gnd h ALA 190 N 0.53 -0.06 -0.21 1.25 0.00 -1.12 -1.79 119.26 117.86 3gnd h ALA 190 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gnd h ALA 190 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gnd h ALA 190 CO -0.32 -0.41 0.13 1.79 0.00 0.00 0.00 179.25 180.44 3gnd h THR 191 N -0.30 1.03 -0.70 0.00 1.35 -1.06 -2.66 112.91 110.59 3gnd h THR 191 Ca -0.01 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 3gnd h THR 191 Cb 0.27 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 3gnd h THR 191 CO 0.01 0.05 0.28 -0.09 -0.25 0.00 0.00 175.52 175.52 3gnd h ARG 192 N 0.26 1.04 -0.29 4.72 9.65 -1.18 -1.20 114.38 127.37 3gnd h ARG 192 Ca 0.08 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3gnd h ARG 192 Cb -0.01 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 3gnd h ARG 192 CO -0.03 0.86 0.18 0.82 2.80 0.00 0.00 179.97 184.60 3gnd h ILE 193 N 0.99 1.09 -0.39 1.20 2.04 -1.28 0.21 117.51 121.37 3gnd h ILE 193 Ca 0.23 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3gnd h ILE 193 Cb 0.20 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3gnd h ILE 193 CO -0.02 0.09 0.25 0.00 0.00 0.00 0.00 178.15 178.47 3gnd h ALA 194 N 1.08 0.50 -0.63 1.87 0.00 -1.18 -1.34 119.26 119.56 3gnd h ALA 194 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gnd h ALA 194 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3gnd h ALA 194 CO -0.02 -0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.48 3gnd h ALA 195 N 1.16 0.81 -0.49 0.00 0.00 -1.02 -2.15 119.26 117.56 3gnd h ALA 195 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gnd h ALA 195 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gnd h ALA 195 CO -0.05 0.35 0.31 1.49 0.00 0.00 0.00 179.25 181.35 3gnd h GLU 196 N 0.86 0.66 0.00 0.00 4.57 -0.47 -1.32 114.58 118.88 3gnd h GLU 196 Ca 0.22 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3gnd h GLU 196 Cb 0.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3gnd h GLU 196 CO -0.03 0.45 -0.37 0.52 -1.18 0.00 0.00 179.01 178.39 3gnd h MET 197 N 0.67 0.00 0.00 1.92 2.86 -0.60 -3.47 114.93 116.31 3gnd h MET 197 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3gnd h MET 197 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3gnd h MET 197 CO -0.04 0.37 0.00 0.41 1.06 0.00 0.00 176.91 178.72 3gnd n GLY 198 N 0.41 0.61 3.73 8.32 0.00 -0.50 -4.91 105.19 112.86 3gnd n GLY 198 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gnd n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd n ALA 199 N 0.00 2.34 0.08 4.61 0.00 -1.10 -4.86 120.51 121.57 3gnd n ALA 199 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.88 3gnd n ALA 199 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 3gnd n ALA 199 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gnd h GLN 200 N 4.79 0.00 -5.58 0.00 7.50 -1.62 -3.42 115.11 116.78 3gnd h GLN 200 Ca -0.46 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.12 3gnd h GLN 200 Cb 1.23 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.46 3gnd h GLN 200 CO 0.79 0.14 -0.84 0.42 -1.50 0.00 0.00 178.83 177.85 3gnd s ILE 201 N -3.15 1.45 -0.07 2.54 1.01 -0.99 -4.05 121.20 117.93 3gnd s ILE 201 Ca -0.01 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.92 3gnd s ILE 201 Cb 0.09 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 3gnd s ILE 201 CO 0.80 0.41 -0.23 -0.63 0.00 0.00 0.00 174.94 175.29 3gnd s ILE 202 N -0.24 1.91 -0.14 2.92 -1.09 -0.72 -1.04 121.20 122.80 3gnd s ILE 202 Ca 0.03 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 3gnd s ILE 202 Cb -0.09 -1.64 0.01 0.00 -1.58 0.00 0.00 42.46 39.16 3gnd s ILE 202 CO 0.01 0.53 -0.21 -0.75 -1.23 0.00 0.00 174.94 173.28 3gnd s LYS 203 N 0.12 3.05 0.06 2.79 2.20 -0.49 -0.47 119.74 126.99 3gnd s LYS 203 Ca -0.10 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.67 3gnd s LYS 203 Cb -0.15 -2.45 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3gnd s LYS 203 CO 0.06 0.01 0.04 -2.37 -0.36 0.00 0.00 175.35 172.73 3gnd n THR 204 N 4.00 0.00 -4.02 3.43 5.66 0.21 -1.38 114.28 122.19 3gnd n THR 204 Ca -0.20 -0.39 -0.27 0.00 -3.05 0.00 0.00 64.05 60.14 3gnd n THR 204 Cb 0.52 0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 69.44 3gnd n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gnd s TYR 205 N -2.12 3.30 0.35 1.09 2.02 -1.26 -0.91 117.35 119.81 3gnd s TYR 205 Ca 0.06 0.06 -0.22 0.00 -0.37 0.00 0.00 57.07 56.59 3gnd s TYR 205 Cb 0.00 -1.59 -0.10 0.00 -0.40 0.00 0.00 41.96 39.87 3gnd s TYR 205 CO 0.04 0.52 0.89 -0.47 -1.57 0.00 0.00 175.55 174.96 3gnd s TYR 206 N -1.70 3.51 0.01 2.71 5.04 -1.26 -4.95 117.35 120.72 3gnd s TYR 206 Ca 0.32 1.59 0.06 0.00 -2.44 0.00 0.00 57.07 56.61 3gnd s TYR 206 Cb -0.11 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.38 3gnd s TYR 206 CO 0.25 0.10 -0.18 0.08 -1.34 0.00 0.00 175.55 174.47 3gnd s VAL 207 N -1.85 1.43 0.21 3.14 1.01 -1.26 -5.03 120.40 118.05 3gnd s VAL 207 Ca 0.54 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 3gnd s VAL 207 Cb -0.14 -1.22 0.19 0.00 0.00 0.00 0.00 36.38 35.21 3gnd s VAL 207 CO 0.19 0.27 1.68 -0.33 0.00 0.00 0.00 175.10 176.90 3gnd h GLU 208 N 5.31 0.17 -3.80 2.72 4.39 -1.97 -3.38 114.58 118.02 3gnd h GLU 208 Ca -0.39 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.04 3gnd h GLU 208 Cb 1.16 -0.04 -0.29 0.00 -0.10 0.00 0.00 28.75 29.48 3gnd h GLU 208 CO 0.46 0.11 -0.73 -1.59 -1.16 0.00 0.00 179.01 176.11 3gnd s LYS 209 N -6.12 0.08 0.00 2.33 -2.85 -1.26 -4.84 119.74 107.08 3gnd s LYS 209 Ca -0.13 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 3gnd s LYS 209 Cb 0.19 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 3gnd s LYS 209 CO 0.74 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.59 3gnd n GLY 210 N 3.23 0.41 0.36 0.59 0.00 -1.26 -4.41 105.19 104.11 3gnd n GLY 210 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3gnd n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gnd h PHE 211 N 0.00 1.01 -0.82 1.61 3.57 -1.89 0.48 116.94 120.90 3gnd h PHE 211 Ca 0.00 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.74 3gnd h PHE 211 Cb 0.00 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 3gnd h PHE 211 CO 0.00 0.29 0.57 0.93 -2.23 0.00 0.00 178.31 177.86 3gnd h GLU 212 N 0.78 0.21 0.02 1.11 5.08 -1.94 -0.40 114.58 119.45 3gnd h GLU 212 Ca 0.54 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.68 3gnd h GLU 212 Cb 0.81 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3gnd h GLU 212 CO -0.31 0.14 -0.96 0.00 -1.00 0.00 0.00 179.01 176.88 3gnd h ARG 213 N 0.22 0.12 0.00 2.33 3.08 -1.26 -1.45 114.38 117.43 3gnd h ARG 213 Ca 0.41 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3gnd h ARG 213 Cb 1.27 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3gnd h ARG 213 CO -0.09 0.98 -0.00 0.82 -1.07 0.00 0.00 179.97 180.61 3gnd h ILE 214 N 0.06 1.02 -0.15 2.04 2.04 -0.98 -1.49 117.51 120.05 3gnd h ILE 214 Ca -0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3gnd h ILE 214 Cb 1.64 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3gnd h ILE 214 CO 0.14 0.02 0.07 0.58 0.00 0.00 0.00 178.15 178.96 3gnd h VAL 215 N -0.04 1.12 -0.42 1.67 2.07 -1.40 -2.77 116.25 116.48 3gnd h VAL 215 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3gnd h VAL 215 Cb 0.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3gnd h VAL 215 CO 0.00 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.87 3gnd h ALA 216 N 0.94 1.50 -0.00 1.67 0.00 -1.22 -2.24 119.26 119.91 3gnd h ALA 216 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gnd h ALA 216 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gnd h ALA 216 CO -0.01 0.39 -0.14 0.41 0.00 0.00 0.00 179.25 179.90 3gnd n GLY 217 N -1.17 -1.00 3.47 0.00 0.00 -0.57 -4.75 105.19 101.18 3gnd n GLY 217 Ca 0.03 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3gnd n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd n PRO 219 N 4.59 0.02 -4.55 0.00 -0.05 -1.26 -4.81 135.00 128.93 3gnd n PRO 219 Ca -0.16 0.09 -0.25 0.00 -0.05 0.00 0.00 63.50 63.12 3gnd n PRO 219 Cb 0.52 -1.50 -0.11 0.00 -0.05 0.00 0.00 33.50 32.36 3gnd n PRO 219 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3gnd s VAL 220 N -2.98 1.56 0.30 0.52 -7.23 -1.26 -3.79 120.40 107.51 3gnd s VAL 220 Ca 0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3gnd s VAL 220 Cb 0.16 -2.84 -0.12 0.00 0.56 0.00 0.00 36.38 34.13 3gnd s VAL 220 CO 0.43 0.00 1.55 -2.65 -0.31 0.00 0.00 175.10 174.12 3gnd n PRO 221 N -0.86 2.60 -4.66 4.82 -0.02 -1.25 -4.81 135.00 130.81 3gnd n PRO 221 Ca -0.05 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 3gnd n PRO 221 Cb 0.67 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 3gnd n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gnd s ILE 222 N -0.19 3.61 -0.02 4.25 1.01 -1.26 -1.76 121.20 126.84 3gnd s ILE 222 Ca 0.63 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.80 3gnd s ILE 222 Cb -0.51 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3gnd s ILE 222 CO 0.51 0.59 -0.19 -0.69 0.00 0.00 0.00 174.94 175.16 3gnd s VAL 223 N -0.81 1.47 -0.06 2.92 1.01 0.38 0.36 120.40 125.68 3gnd s VAL 223 Ca 0.13 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3gnd s VAL 223 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3gnd s VAL 223 CO 0.02 0.42 0.17 0.27 0.00 0.00 0.00 175.10 175.97 3gnd s ILE 224 N -0.39 5.47 0.42 2.22 -4.36 -0.96 -0.62 121.20 122.98 3gnd s ILE 224 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.24 3gnd s ILE 224 Cb -0.08 -3.48 -0.10 0.00 1.25 0.00 0.00 42.46 40.05 3gnd s ILE 224 CO -0.00 0.45 0.97 0.00 0.24 0.00 0.00 174.94 176.59 3gnd s ALA 225 N -1.20 3.05 0.19 2.27 0.00 -0.09 0.23 121.76 126.21 3gnd s ALA 225 Ca 0.22 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 3gnd s ALA 225 Cb -0.12 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 19.94 3gnd s ALA 225 CO 0.12 0.06 1.86 0.78 0.00 0.00 0.00 175.76 178.58 3gnd h GLY 226 N 2.10 0.91 -0.06 0.00 0.00 -1.88 -3.43 103.07 100.70 3gnd h GLY 226 Ca -0.49 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.52 3gnd h GLY 226 CO 0.61 0.32 -0.01 0.61 0.00 0.00 0.00 176.54 178.07 3gnd n GLY 227 N -1.28 -2.21 3.63 4.60 0.00 -1.26 -4.89 105.19 103.78 3gnd n GLY 227 Ca 0.05 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 3gnd n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gnd n LYS 228 N -0.81 0.07 -1.66 1.61 2.85 -1.26 -4.44 118.16 114.52 3gnd n LYS 228 Ca 0.00 0.10 -0.46 0.00 -1.05 0.00 0.00 58.31 56.89 3gnd n LYS 228 Cb 0.01 -2.29 -0.04 0.00 -0.65 0.00 0.00 35.03 32.06 3gnd n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gnd n LYS 229 N -2.90 1.95 -4.36 -1.58 3.00 -1.26 -4.81 118.16 108.19 3gnd n LYS 229 Ca 0.12 0.70 -0.19 0.00 -0.00 0.00 0.00 58.31 58.94 3gnd n LYS 229 Cb 0.51 -2.40 -0.10 0.00 0.00 0.00 0.00 35.03 33.03 3gnd n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gnd s LEU 230 N 0.57 2.44 0.26 3.14 1.43 -1.26 -5.06 118.68 120.20 3gnd s LEU 230 Ca 0.76 -1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 3gnd s LEU 230 Cb -0.71 -0.53 -0.13 0.00 0.03 0.00 0.00 46.19 44.85 3gnd s LEU 230 CO 0.43 -0.33 1.31 -2.65 0.23 0.00 0.00 176.35 175.34 3gnd n PRO 231 N -0.45 1.89 -0.34 1.29 -0.02 -1.26 -4.73 135.00 131.39 3gnd n PRO 231 Ca -0.07 0.67 0.20 0.00 -2.02 0.00 0.00 63.50 62.29 3gnd n PRO 231 Cb 0.62 -2.26 0.42 0.00 -0.02 0.00 0.00 33.50 32.27 3gnd n PRO 231 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gnd h GLU 232 N 3.49 0.41 -0.33 -0.52 3.07 -1.99 0.22 114.58 118.92 3gnd h GLU 232 Ca -0.44 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.30 3gnd h GLU 232 Cb 1.29 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 3gnd h GLU 232 CO 0.70 0.27 -0.18 -0.09 -1.40 0.00 0.00 179.01 178.31 3gnd h ARG 233 N 0.42 0.61 -0.12 2.33 2.43 -1.97 -1.96 114.38 116.12 3gnd h ARG 233 Ca 0.68 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 59.42 3gnd h ARG 233 Cb 1.45 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3gnd h ARG 233 CO -0.56 0.76 -0.77 0.93 -1.51 0.00 0.00 179.97 178.82 3gnd h GLU 234 N 0.55 0.73 -0.64 0.20 5.08 -0.95 -2.31 114.58 117.25 3gnd h GLU 234 Ca 0.09 -0.63 0.05 0.00 -1.00 0.00 0.00 59.36 57.87 3gnd h GLU 234 Cb 0.62 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3gnd h GLU 234 CO 0.04 1.24 0.36 0.00 -1.00 0.00 0.00 179.01 179.64 3gnd h ALA 235 N 0.51 0.84 -0.56 3.43 0.00 -1.13 -1.05 119.26 121.30 3gnd h ALA 235 Ca -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3gnd h ALA 235 Cb 1.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3gnd h ALA 235 CO 0.16 0.04 0.09 -0.07 0.00 0.00 0.00 179.25 179.46 3gnd h LEU 236 N 0.67 0.84 -0.67 0.00 3.38 -1.31 -2.02 115.31 116.20 3gnd h LEU 236 Ca 0.28 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3gnd h LEU 236 Cb 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gnd h LEU 236 CO -0.17 0.86 0.42 -0.33 0.09 0.00 0.00 178.44 179.31 3gnd h GLU 237 N 0.84 0.81 -0.31 1.13 4.39 -0.79 -0.55 114.58 120.10 3gnd h GLU 237 Ca 0.17 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.85 3gnd h GLU 237 Cb 0.38 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3gnd h GLU 237 CO 0.01 0.53 0.14 1.98 -1.16 0.00 0.00 179.01 180.51 3gnd h MET 238 N 0.83 0.29 -0.38 2.33 4.05 -0.80 -0.84 114.93 120.41 3gnd h MET 238 Ca 0.27 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 3gnd h MET 238 Cb 0.00 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3gnd h MET 238 CO -0.10 0.19 0.23 0.00 0.23 0.00 0.00 176.91 177.46 3gnd h TRP 240 N 0.47 0.29 0.05 0.00 7.01 -0.76 -0.18 115.95 122.84 3gnd h TRP 240 Ca 0.15 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3gnd h TRP 240 Cb -0.02 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 3gnd h TRP 240 CO -0.07 0.15 -0.15 1.96 -2.79 0.00 0.00 178.44 177.54 3gnd h GLN 241 N 0.33 -0.27 0.26 2.65 1.08 -1.02 0.27 115.11 118.40 3gnd h GLN 241 Ca 0.14 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3gnd h GLN 241 Cb 0.06 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3gnd h GLN 241 CO -0.10 -0.18 -0.30 0.00 -0.95 0.00 0.00 178.83 177.30 3gnd h ALA 242 N 0.62 -0.60 -0.15 3.87 0.00 -0.85 0.23 119.26 122.37 3gnd h ALA 242 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gnd h ALA 242 Cb 0.32 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3gnd h ALA 242 CO -0.11 -0.88 -0.07 0.82 0.00 0.00 0.00 179.25 179.01 3gnd h ILE 243 N -0.60 0.76 -0.68 0.00 1.08 -0.98 -1.55 117.51 115.52 3gnd h ILE 243 Ca -0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 3gnd h ILE 243 Cb 0.57 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3gnd h ILE 243 CO -0.09 0.00 0.46 -0.78 -0.69 0.00 0.00 178.15 177.06 3gnd h ASP 244 N -0.06 0.29 -0.29 1.72 3.58 -0.02 -0.95 116.42 120.69 3gnd h ASP 244 Ca 0.09 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3gnd h ASP 244 Cb 0.19 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3gnd h ASP 244 CO -0.19 0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.32 3gnd n GLN 245 N -4.45 2.08 0.00 0.28 6.02 0.03 -4.93 117.38 116.42 3gnd n GLN 245 Ca 0.13 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 3gnd n GLN 245 Cb 0.53 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3gnd n GLN 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gnd n GLY 246 N 1.29 1.00 3.73 1.08 0.00 -0.36 -4.55 105.19 107.38 3gnd n GLY 246 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3gnd n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnd s ALA 247 N -2.00 2.29 -1.70 4.61 0.00 -0.67 -4.82 121.76 119.47 3gnd s ALA 247 Ca 0.00 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.21 3gnd s ALA 247 Cb 0.00 -3.51 0.65 0.00 0.00 0.00 0.00 23.12 20.27 3gnd s ALA 247 CO 0.00 -1.65 1.55 0.43 0.00 0.00 0.00 175.76 176.09 3gnd n SER 248 N -2.19 4.08 0.00 0.00 7.64 0.16 -4.65 113.62 118.66 3gnd n SER 248 Ca 0.15 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.87 3gnd n SER 248 Cb 0.49 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3gnd n SER 248 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gnd n GLY 249 N 1.45 -0.04 3.25 0.23 0.00 -1.24 -1.59 105.19 107.25 3gnd n GLY 249 Ca 0.24 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 3gnd n GLY 249 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gnd s VAL 250 N -1.37 1.43 -0.68 1.61 -7.23 -0.74 -2.26 120.40 111.17 3gnd s VAL 250 Ca 0.00 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 3gnd s VAL 250 Cb 0.00 -1.45 0.24 0.00 0.56 0.00 0.00 36.38 35.73 3gnd s VAL 250 CO 0.00 -0.25 0.75 -0.67 -0.31 0.00 0.00 175.10 174.62 3gnd n ASP 251 N 0.86 3.81 -4.77 4.85 2.03 0.13 -0.46 116.55 123.00 3gnd n ASP 251 Ca -0.18 -3.41 -0.37 0.00 0.52 0.00 0.00 54.79 51.35 3gnd n ASP 251 Cb 0.55 -0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 3gnd n ASP 251 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3gnd s MET 252 N -2.34 3.91 0.00 -0.67 -1.94 -0.69 -2.95 119.30 114.62 3gnd s MET 252 Ca 0.37 1.78 0.00 0.00 -1.71 0.00 0.00 55.69 56.13 3gnd s MET 252 Cb 0.11 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.43 3gnd s MET 252 CO -0.03 -0.42 0.00 0.41 -0.01 0.00 0.00 175.02 174.97 3gnd n GLY 253 N 0.51 0.17 0.31 -0.03 0.00 -1.26 -0.19 105.19 104.70 3gnd n GLY 253 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3gnd n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gnd h ARG 254 N 0.00 1.07 0.00 1.61 3.08 -1.85 -0.80 114.38 117.50 3gnd h ARG 254 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gnd h ARG 254 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 3gnd h ARG 254 CO 0.00 0.78 0.00 0.09 -1.07 0.00 0.00 179.97 179.77 3gnd n ASN 255 N -4.45 0.00 0.03 7.04 3.02 -1.26 -0.81 115.26 118.82 3gnd n ASN 255 Ca 0.07 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.49 3gnd n ASN 255 Cb 0.08 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3gnd n ASN 255 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gnd n ILE 256 N -1.07 1.27 0.59 2.41 5.41 -0.75 -4.54 119.36 122.69 3gnd n ILE 256 Ca 0.05 0.36 0.12 0.00 1.00 0.00 0.00 62.75 64.28 3gnd n ILE 256 Cb 0.03 -1.71 0.45 0.00 -0.71 0.00 0.00 39.64 37.71 3gnd n ILE 256 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 3gnd n PHE 257 N -3.65 0.55 0.23 1.39 1.16 -0.38 -1.74 117.46 115.02 3gnd n PHE 257 Ca -0.02 0.19 0.12 0.00 -1.87 0.00 0.00 57.45 55.86 3gnd n PHE 257 Cb 0.09 -0.80 0.26 0.00 -1.61 0.00 0.00 39.48 37.41 3gnd n PHE 257 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gnd n GLN 258 N -1.97 2.48 -2.31 3.97 6.02 0.01 -4.85 117.38 120.72 3gnd n GLN 258 Ca 0.04 -2.26 -0.30 0.00 -0.01 0.00 0.00 57.00 54.47 3gnd n GLN 258 Cb 0.30 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 3gnd n GLN 258 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3gnd s SER 259 N -1.35 6.36 0.19 1.08 0.15 -0.71 -4.97 113.70 114.45 3gnd s SER 259 Ca 0.41 1.28 0.25 0.00 0.70 0.00 0.00 55.95 58.59 3gnd s SER 259 Cb 0.23 -2.40 0.90 0.00 -1.71 0.00 0.00 66.02 63.03 3gnd s SER 259 CO 0.31 -0.67 1.77 0.47 1.20 0.00 0.00 173.24 176.32 3gnd n ASP 260 N -2.18 0.64 -3.23 5.45 8.00 -1.26 -4.21 116.55 119.75 3gnd n ASP 260 Ca 0.04 0.58 -0.25 0.00 0.71 0.00 0.00 54.79 55.88 3gnd n ASP 260 Cb 0.54 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 3gnd n ASP 260 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gnd n HIS 261 N -2.13 -0.01 0.16 1.24 8.25 -1.26 -5.01 115.22 116.46 3gnd n HIS 261 Ca 0.05 -3.60 -0.14 0.00 -0.26 0.00 0.00 57.72 53.77 3gnd n HIS 261 Cb 0.36 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.08 3gnd n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gnd h PRO 262 N 4.16 -0.58 -0.49 -0.41 0.11 -1.75 -0.80 132.00 132.25 3gnd h PRO 262 Ca 0.10 0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.31 3gnd h PRO 262 Cb 0.86 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 3gnd h PRO 262 CO 0.49 -0.38 0.19 0.28 -0.21 0.00 0.00 178.00 178.36 3gnd h VAL 263 N -0.60 0.86 -0.21 3.15 2.07 -1.95 -0.73 116.25 118.85 3gnd h VAL 263 Ca 0.01 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3gnd h VAL 263 Cb 0.58 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3gnd h VAL 263 CO -0.12 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.54 3gnd h ALA 264 N 1.31 0.18 -0.65 1.67 0.00 -1.87 -2.13 119.26 117.77 3gnd h ALA 264 Ca 0.23 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3gnd h ALA 264 Cb 0.22 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3gnd h ALA 264 CO -0.22 -0.43 0.33 1.98 0.00 0.00 0.00 179.25 180.91 3gnd h MET 265 N 0.07 0.57 -0.41 0.00 -1.53 -0.34 -1.74 114.93 111.55 3gnd h MET 265 Ca 0.10 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.34 3gnd h MET 265 Cb 0.12 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 3gnd h MET 265 CO -0.17 0.38 0.25 0.52 0.14 0.00 0.00 176.91 178.03 3gnd h MET 266 N 0.59 0.49 -1.01 0.39 2.86 -0.87 0.10 114.93 117.48 3gnd h MET 266 Ca 0.31 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 3gnd h MET 266 Cb 0.27 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 3gnd h MET 266 CO -0.23 0.32 0.66 0.87 1.06 0.00 0.00 176.91 179.60 3gnd h LYS 267 N 0.50 1.26 0.25 1.72 1.57 -0.90 0.15 116.57 121.13 3gnd h LYS 267 Ca 0.16 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3gnd h LYS 267 Cb -0.01 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.02 3gnd h LYS 267 CO -0.07 0.83 -0.12 0.00 -0.57 0.00 0.00 179.45 179.53 3gnd h ALA 268 N 1.40 -0.34 -0.80 3.86 0.00 -0.79 -0.83 119.26 121.78 3gnd h ALA 268 Ca 0.39 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3gnd h ALA 268 Cb -0.04 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3gnd h ALA 268 CO -0.11 -0.65 0.43 0.28 0.00 0.00 0.00 179.25 179.20 3gnd h VAL 269 N -0.42 0.85 -0.44 0.00 2.07 -0.42 -0.42 116.25 117.46 3gnd h VAL 269 Ca -0.03 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3gnd h VAL 269 Cb 0.32 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3gnd h VAL 269 CO 0.06 0.13 0.26 1.56 0.02 0.00 0.00 177.57 179.59 3gnd h GLN 270 N 0.70 0.51 -0.54 1.57 1.08 -0.41 -0.73 115.11 117.29 3gnd h GLN 270 Ca 0.40 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.64 3gnd h GLN 270 Cb 0.43 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 3gnd h GLN 270 CO -0.28 0.34 0.23 0.00 -0.95 0.00 0.00 178.83 178.17 3gnd h ALA 271 N 1.19 0.69 -0.38 3.87 0.00 0.35 -0.06 119.26 124.92 3gnd h ALA 271 Ca 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3gnd h ALA 271 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gnd h ALA 271 CO -0.08 -0.15 -0.07 0.28 0.00 0.00 0.00 179.25 179.23 3gnd h VAL 272 N 0.44 1.27 0.00 0.00 2.07 -0.67 -2.14 116.25 117.24 3gnd h VAL 272 Ca 0.26 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3gnd h VAL 272 Cb 0.24 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3gnd h VAL 272 CO -0.22 0.38 -0.06 0.58 0.02 0.00 0.00 177.57 178.26 3gnd h VAL 273 N 0.52 1.64 0.00 2.57 2.07 -0.76 -3.24 116.25 119.05 3gnd h VAL 273 Ca 0.10 -1.95 -0.26 0.00 0.82 0.00 0.00 66.70 65.40 3gnd h VAL 273 Cb 0.58 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 3gnd h VAL 273 CO 0.03 0.51 -1.62 0.45 0.02 0.00 0.00 177.57 176.97 3gnd h HIS 274 N -0.76 0.00 -0.13 1.57 -0.00 -1.15 -3.40 115.15 111.29 3gnd h HIS 274 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3gnd h HIS 274 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 3gnd h HIS 274 CO 0.21 0.89 0.00 0.72 -0.00 0.00 0.00 177.93 179.75 3gnd n HIS 275 N -3.01 0.28 -2.09 2.45 8.25 -0.83 -4.94 115.22 115.32 3gnd n HIS 275 Ca -0.15 -0.69 -0.16 0.00 -0.26 0.00 0.00 57.72 56.46 3gnd n HIS 275 Cb 1.00 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 3gnd n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gnd n ASN 276 N -0.50 -4.51 -4.66 0.41 3.02 -1.17 -4.94 115.26 102.90 3gnd n ASN 276 Ca 0.10 0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.54 3gnd n ASN 276 Cb 0.50 -3.90 0.14 0.00 -0.61 0.00 0.00 39.78 35.92 3gnd n ASN 276 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gnd n GLU 277 N -2.60 -0.13 -2.67 3.52 -0.58 -1.03 -5.00 120.64 112.15 3gnd n GLU 277 Ca -0.18 0.04 -0.26 0.00 -0.42 0.00 0.00 57.16 56.34 3gnd n GLU 277 Cb 0.60 -2.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.12 3gnd n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gnd s THR 278 N -2.36 4.34 0.20 2.62 -4.23 -1.26 -4.65 115.64 110.31 3gnd s THR 278 Ca 0.69 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 3gnd s THR 278 Cb -0.26 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.05 3gnd s THR 278 CO 0.55 -0.61 1.81 0.00 -0.54 0.00 0.00 174.62 175.83 3gnd h ALA 279 N 0.16 0.85 0.45 3.99 0.00 -1.96 -1.47 119.26 121.28 3gnd h ALA 279 Ca -0.46 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3gnd h ALA 279 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gnd h ALA 279 CO 0.61 0.07 -0.21 -0.44 0.00 0.00 0.00 179.25 179.27 3gnd h ASP 280 N 0.70 -0.51 -0.68 0.00 3.32 -1.95 -0.58 116.42 116.72 3gnd h ASP 280 Ca 0.28 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.37 3gnd h ASP 280 Cb 0.13 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 3gnd h ASP 280 CO -0.16 -0.13 -0.16 0.03 -1.72 0.00 0.00 179.24 177.10 3gnd h ARG 281 N -0.94 0.01 -0.57 3.56 2.47 -1.96 -0.13 114.38 116.81 3gnd h ARG 281 Ca -0.06 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3gnd h ARG 281 Cb 0.57 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3gnd h ARG 281 CO 0.10 0.01 0.35 0.00 0.56 0.00 0.00 179.97 180.98 3gnd h ALA 282 N 1.68 0.73 -0.30 0.04 0.00 -1.22 -1.78 119.26 118.41 3gnd h ALA 282 Ca 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3gnd h ALA 282 Cb 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3gnd h ALA 282 CO -0.70 0.21 0.20 -0.92 0.00 0.00 0.00 179.25 178.05 3gnd h TYR 283 N 0.78 0.30 -0.01 0.00 3.20 0.60 0.26 116.97 122.09 3gnd h TYR 283 Ca 0.21 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 3gnd h TYR 283 Cb -0.02 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3gnd h TYR 283 CO -0.02 0.18 -0.68 0.93 -1.64 0.00 0.00 178.16 176.92 3gnd h GLU 284 N 0.31 0.06 -0.24 1.82 5.08 -0.58 -0.62 114.58 120.40 3gnd h GLU 284 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gnd h GLU 284 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3gnd h GLU 284 CO -0.03 0.72 0.06 1.25 -1.00 0.00 0.00 179.01 180.01 3gnd h LEU 285 N 0.04 0.31 -0.09 1.33 7.12 -0.19 -2.33 115.31 121.50 3gnd h LEU 285 Ca -0.01 -0.03 -0.24 0.00 0.13 0.00 0.00 57.88 57.72 3gnd h LEU 285 Cb 1.21 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 41.27 3gnd h LEU 285 CO 0.09 0.32 -1.00 0.22 -0.13 0.00 0.00 178.44 177.95 3gnd h TYR 286 N 0.34 0.79 0.00 1.25 3.20 -0.51 -3.21 116.97 118.84 3gnd h TYR 286 Ca 0.08 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 3gnd h TYR 286 Cb 0.14 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3gnd h TYR 286 CO 0.00 1.26 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.68 3gnd h LEU 287 N 0.30 0.00 -0.33 2.82 3.38 -0.97 -2.82 115.31 117.69 3gnd h LEU 287 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gnd h LEU 287 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3gnd h LEU 287 CO 0.18 0.04 -0.15 0.77 0.09 0.00 0.00 178.44 179.37 3gnd h SER 288 N 0.00 0.00 -0.02 -0.43 4.64 -1.45 -3.51 113.55 112.79 3gnd h SER 288 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gnd h SER 288 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3gnd h SER 288 CO 0.01 0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50