#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpd n LYS 2 N 0.00 0.00 0.00 1.61 4.81 -1.25 -0.53 118.16 122.80 3gpd n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gpd n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3gpd n LYS 2 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gpd n VAL 3 N 0.82 0.00 0.00 3.15 0.31 -1.18 -1.53 118.33 119.91 3gpd n VAL 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gpd n VAL 3 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3gpd n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3gpd n LYS 4 N 0.00 0.00 -4.33 5.55 0.00 -1.26 -4.54 118.16 113.58 3gpd n LYS 4 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 3gpd n LYS 4 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 3gpd n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3gpd s VAL 5 N 0.00 2.68 0.24 0.58 1.01 -1.22 -2.37 120.40 121.32 3gpd s VAL 5 Ca 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.02 3gpd s VAL 5 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3gpd s VAL 5 CO 0.00 -0.21 0.10 -0.83 0.00 0.00 0.00 175.10 174.16 3gpd s GLY 6 N -3.72 1.64 -0.05 4.51 0.00 -1.22 -3.20 107.32 105.29 3gpd s GLY 6 Ca 0.35 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.12 3gpd s GLY 6 CO 0.19 -1.54 0.30 0.14 0.00 0.00 0.00 173.10 172.19 3gpd s VAL 7 N -3.86 0.04 -0.47 1.40 1.01 -1.00 -1.35 120.40 116.17 3gpd s VAL 7 Ca 0.38 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3gpd s VAL 7 Cb 0.08 -0.54 0.12 0.00 0.00 0.00 0.00 36.38 36.03 3gpd s VAL 7 CO 0.13 -0.18 0.22 -0.62 0.00 0.00 0.00 175.10 174.65 3gpd s ASP 8 N -0.83 4.68 0.00 3.32 3.68 0.08 -1.24 116.67 126.36 3gpd s ASP 8 Ca -0.09 -2.65 0.00 0.00 2.13 0.00 0.00 52.55 51.94 3gpd s ASP 8 Cb -0.04 -1.69 0.00 0.00 -1.45 0.00 0.00 42.92 39.74 3gpd s ASP 8 CO 0.03 -0.33 0.00 0.61 0.13 0.00 0.00 175.17 175.61 3gpd n GLY 9 N 3.64 0.63 3.55 2.66 0.00 -1.23 0.17 105.19 114.61 3gpd n GLY 9 Ca 0.04 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 3gpd n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gpd n PHE 10 N 0.00 1.50 0.00 1.61 7.35 -1.26 -3.41 117.46 123.25 3gpd n PHE 10 Ca 0.00 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 3gpd n PHE 10 Cb 0.00 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 37.19 3gpd n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gpd n GLY 11 N 6.00 1.83 4.65 7.13 0.00 -1.26 -4.93 105.19 118.61 3gpd n GLY 11 Ca 0.37 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3gpd n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpd n ARG 12 N -0.04 0.00 -0.19 1.61 5.12 -1.26 0.34 116.66 122.24 3gpd n ARG 12 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 3gpd n ARG 12 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 3gpd n ARG 12 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3gpd h ILE 13 N 0.00 1.15 -0.03 0.55 6.09 -1.90 -3.03 117.51 120.35 3gpd h ILE 13 Ca 0.00 -0.31 0.01 0.00 -1.37 0.00 0.00 64.86 63.19 3gpd h ILE 13 Cb 0.00 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 37.63 3gpd h ILE 13 CO 0.00 0.15 -0.04 1.23 -3.07 0.00 0.00 178.15 176.42 3gpd h GLY 14 N 0.76 -0.02 0.60 8.18 0.00 0.56 -2.33 103.07 110.83 3gpd h GLY 14 Ca 0.20 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3gpd h GLY 14 CO -0.04 -0.05 -0.09 3.21 0.00 0.00 0.00 176.54 179.57 3gpd h ARG 15 N -0.06 -0.09 -0.01 4.80 -0.00 -1.65 3.83 114.38 121.20 3gpd h ARG 15 Ca 0.03 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.51 3gpd h ARG 15 Cb 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.09 3gpd h ARG 15 CO -0.06 -0.06 0.01 1.25 0.00 0.00 0.00 179.97 181.10 3gpd h LEU 16 N -0.09 0.01 -0.36 3.04 7.12 -1.57 9.69 115.31 133.14 3gpd h LEU 16 Ca 0.08 -0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.02 3gpd h LEU 16 Cb 0.21 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 3gpd h LEU 16 CO -0.19 0.13 0.12 0.58 -0.13 0.00 0.00 178.44 178.95 3gpd h VAL 17 N -0.10 0.88 -0.54 1.05 2.07 -0.70 3.45 116.25 122.35 3gpd h VAL 17 Ca 0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gpd h VAL 17 Cb 0.12 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3gpd h VAL 17 CO -0.00 0.05 0.32 0.00 0.02 0.00 0.00 177.57 177.95 3gpd h THR 18 N 0.27 1.17 0.53 2.57 1.03 0.80 -2.36 112.91 116.92 3gpd h THR 18 Ca 0.17 -0.40 -0.02 0.00 -0.01 0.00 0.00 66.41 66.15 3gpd h THR 18 Cb 0.15 0.46 -0.02 0.00 -1.07 0.00 0.00 68.15 67.67 3gpd h THR 18 CO -0.18 0.18 -0.44 -0.09 -0.01 0.00 0.00 175.52 174.98 3gpd h ARG 19 N 0.73 -0.92 -0.03 0.00 2.43 2.46 -3.22 114.38 115.83 3gpd h ARG 19 Ca 0.19 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3gpd h ARG 19 Cb 0.01 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3gpd h ARG 19 CO -0.03 -0.62 -0.00 0.00 -1.51 0.00 0.00 179.97 177.81 3gpd h ALA 20 N -0.71 0.04 -0.93 2.80 0.00 0.62 -2.86 119.26 118.22 3gpd h ALA 20 Ca -0.06 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 54.93 3gpd h ALA 20 Cb 0.82 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 3gpd h ALA 20 CO -0.01 -0.30 0.44 0.00 0.00 0.00 0.00 179.25 179.39 3gpd h ALA 21 N 0.70 1.57 0.24 0.00 0.00 -1.50 0.30 119.26 120.57 3gpd h ALA 21 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3gpd h ALA 21 Cb 0.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gpd h ALA 21 CO 0.00 -0.38 -0.12 0.35 0.00 0.00 0.00 179.25 179.11 3gpd h PHE 22 N 0.40 -0.30 -0.12 0.00 -0.00 -1.55 11.47 116.94 126.85 3gpd h PHE 22 Ca 0.60 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.97 58.49 3gpd h PHE 22 Cb 1.20 0.10 0.00 0.00 -0.00 0.00 0.00 35.95 37.25 3gpd h PHE 22 CO -0.10 -0.19 -0.22 -2.95 -0.00 0.00 0.00 178.31 174.84 3gpd h ASN 23 N -0.43 0.40 0.25 0.41 -1.07 -1.06 -1.78 115.58 112.31 3gpd h ASN 23 Ca -0.03 -0.55 -0.01 0.00 0.07 0.00 0.00 56.30 55.77 3gpd h ASN 23 Cb 0.25 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 3gpd h ASN 23 CO 0.05 0.88 -0.12 0.77 0.07 0.00 0.00 177.43 179.08 3gpd h SER 24 N -0.07 -0.28 0.02 6.14 4.64 -0.66 -3.40 113.55 119.93 3gpd h SER 24 Ca 0.01 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gpd h SER 24 Cb 0.81 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3gpd h SER 24 CO 0.05 -0.12 -0.01 1.23 -0.87 0.00 0.00 176.83 177.11 3gpd h GLY 25 N -0.49 -0.02 0.00 -0.77 0.00 -1.58 -3.49 103.07 96.71 3gpd h GLY 25 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gpd h GLY 25 CO 0.06 -0.01 0.00 1.17 0.00 0.00 0.00 176.54 177.76 3gpd n LYS 26 N -4.69 0.00 -0.13 4.80 0.00 3.61 -4.87 118.16 116.87 3gpd n LYS 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 3gpd n LYS 26 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 3gpd n LYS 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3gpd n VAL 27 N 0.00 0.00 -1.61 3.15 0.31 -0.87 -3.86 118.33 115.45 3gpd n VAL 27 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3gpd n VAL 27 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3gpd n VAL 27 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gpd n ASP 28 N 0.82 -4.53 -3.21 4.52 10.43 0.31 -3.09 116.55 121.80 3gpd n ASP 28 Ca 0.00 0.59 0.00 0.00 2.57 0.00 0.00 54.79 57.95 3gpd n ASP 28 Cb 0.00 -1.79 0.00 0.00 1.84 0.00 0.00 41.12 41.17 3gpd n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3gpd n ILE 29 N -2.16 0.00 0.00 0.53 5.41 -1.26 -3.77 119.36 118.11 3gpd n ILE 29 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3gpd n ILE 29 Cb 0.25 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 3gpd n ILE 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3gpd n VAL 30 N -0.10 0.00 0.00 1.39 0.24 -1.21 -3.37 118.33 115.28 3gpd n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3gpd n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3gpd n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gpd n ALA 31 N -3.00 0.00 -3.92 2.33 0.00 -1.19 -4.57 120.51 110.16 3gpd n ALA 31 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3gpd n ALA 31 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3gpd n ALA 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gpd s ILE 32 N -2.00 1.42 -1.16 0.00 -1.09 0.21 -2.37 121.20 116.21 3gpd s ILE 32 Ca 0.00 -0.55 -0.14 0.00 -2.23 0.00 0.00 60.65 57.72 3gpd s ILE 32 Cb 0.00 -1.35 0.17 0.00 -1.58 0.00 0.00 42.46 39.70 3gpd s ILE 32 CO 0.00 0.43 1.37 0.21 -1.23 0.00 0.00 174.94 175.73 3gpd s ASN 33 N 1.43 7.00 -0.48 3.58 2.47 -0.37 0.31 114.94 128.88 3gpd s ASN 33 Ca 0.03 -2.85 0.03 0.00 0.42 0.00 0.00 52.86 50.48 3gpd s ASN 33 Cb -0.13 -2.40 0.15 0.00 -1.45 0.00 0.00 41.25 37.42 3gpd s ASN 33 CO -0.08 -0.79 0.31 -0.62 -3.72 0.00 0.00 177.10 172.20 3gpd s ASP 34 N 2.92 3.43 0.09 -4.21 -1.08 0.22 -3.58 116.67 114.47 3gpd s ASP 34 Ca 0.41 -2.93 -0.31 0.00 -0.52 0.00 0.00 52.55 49.19 3gpd s ASP 34 Cb -0.03 -1.02 -0.08 0.00 -1.46 0.00 0.00 42.92 40.33 3gpd s ASP 34 CO -0.02 -0.21 1.44 -2.16 0.52 0.00 0.00 175.17 174.74 3gpd s PRO 35 N -0.03 4.29 0.00 4.34 0.05 -0.99 -3.19 135.00 139.47 3gpd s PRO 35 Ca 0.22 2.11 0.00 0.00 0.05 0.00 0.00 61.00 63.38 3gpd s PRO 35 Cb -0.15 -3.34 0.00 0.00 0.05 0.00 0.00 34.50 31.06 3gpd s PRO 35 CO -0.07 -0.51 0.00 1.19 0.05 0.00 0.00 177.00 177.66 3gpd n PHE 36 N 4.40 0.00 -3.59 0.56 0.99 -1.26 -5.02 117.46 113.54 3gpd n PHE 36 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.57 3gpd n PHE 36 Cb 0.42 -0.42 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 3gpd n PHE 36 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gpd s ILE 37 N -2.00 -0.08 0.39 4.37 1.09 -1.19 -5.14 121.20 118.64 3gpd s ILE 37 Ca 0.00 0.00 0.08 0.00 -1.10 0.00 0.00 60.65 59.63 3gpd s ILE 37 Cb 0.00 -1.00 -0.02 0.00 -1.06 0.00 0.00 42.46 40.38 3gpd s ILE 37 CO 0.00 0.00 0.35 -0.62 -0.10 0.00 0.00 174.94 174.57 3gpd s ASP 38 N 1.50 5.12 0.00 3.58 3.68 -1.26 -4.76 116.67 124.52 3gpd s ASP 38 Ca -0.08 -0.67 0.00 0.00 2.13 0.00 0.00 52.55 53.93 3gpd s ASP 38 Cb -0.04 -0.69 0.00 0.00 -1.45 0.00 0.00 42.92 40.74 3gpd s ASP 38 CO -0.15 -0.56 0.00 0.00 0.13 0.00 0.00 175.17 174.59 3gpd n LEU 39 N -1.49 0.00 0.10 -1.34 -0.00 -1.26 0.66 117.00 113.66 3gpd n LEU 39 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.90 3gpd n LEU 39 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.95 3gpd n LEU 39 CO 0.42 0.00 0.60 -0.74 -0.00 0.00 0.00 177.39 177.67 3gpd h HIS 40 N 0.00 -0.24 -0.70 1.47 2.76 -1.97 -3.26 115.15 113.20 3gpd h HIS 40 Ca 0.00 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 3gpd h HIS 40 Cb 0.00 0.08 -0.13 0.00 1.55 0.00 0.00 27.41 28.91 3gpd h HIS 40 CO 0.00 0.10 -0.07 1.88 -1.30 0.00 0.00 177.93 178.55 3gpd h TYR 41 N -0.62 -0.17 -1.00 5.26 0.05 -0.14 0.92 116.97 121.27 3gpd h TYR 41 Ca -0.03 0.06 0.21 0.00 0.05 0.00 0.00 58.73 59.02 3gpd h TYR 41 Cb 0.45 0.19 -0.11 0.00 1.01 0.00 0.00 36.73 38.27 3gpd h TYR 41 CO 0.03 -0.25 0.61 0.52 -1.05 0.00 0.00 178.16 178.02 3gpd h MET 42 N 0.06 0.65 0.36 4.88 2.86 -1.38 -2.25 114.93 120.13 3gpd h MET 42 Ca 0.37 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3gpd h MET 42 Cb 0.61 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3gpd h MET 42 CO -0.66 0.43 -0.27 -0.39 1.06 0.00 0.00 176.91 177.08 3gpd h VAL 43 N 0.67 0.00 0.00 -2.22 -1.51 0.78 -3.06 116.25 110.91 3gpd h VAL 43 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.07 3gpd h VAL 43 Cb 1.06 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3gpd h VAL 43 CO -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.93 3gpd n TYR 44 N -4.02 0.00 -0.24 5.19 4.19 -0.97 -2.26 117.16 119.05 3gpd n TYR 44 Ca -0.07 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.07 3gpd n TYR 44 Cb 0.26 -0.36 -0.06 0.00 0.49 0.00 0.00 39.34 39.67 3gpd n TYR 44 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 3gpd n MET 45 N -2.09 -0.25 0.23 2.98 2.81 -0.88 0.27 117.12 120.19 3gpd n MET 45 Ca 0.00 0.97 -0.14 0.00 -1.81 0.00 0.00 57.70 56.72 3gpd n MET 45 Cb 0.00 -1.42 -0.07 0.00 -0.71 0.00 0.00 33.22 31.01 3gpd n MET 45 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gpd h PHE 46 N 0.00 -1.03 -0.06 2.03 3.57 -1.64 -3.25 116.94 116.56 3gpd h PHE 46 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3gpd h PHE 46 Cb 0.23 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 3gpd h PHE 46 CO -0.69 -0.51 -0.28 -0.56 -2.23 0.00 0.00 178.31 174.05 3gpd h GLN 47 N -0.77 -0.37 -4.51 1.11 3.07 -0.55 -3.41 115.11 109.68 3gpd h GLN 47 Ca -0.05 0.03 -0.72 0.00 0.09 0.00 0.00 58.65 57.99 3gpd h GLN 47 Cb 0.66 0.08 -0.21 0.00 0.08 0.00 0.00 27.48 28.09 3gpd h GLN 47 CO -0.03 -0.25 -0.35 0.71 0.09 0.00 0.00 178.83 179.00 3gpd s TYR 48 N -6.04 3.22 -0.11 0.06 1.51 0.78 0.25 117.35 117.02 3gpd s TYR 48 Ca -0.15 -0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 3gpd s TYR 48 Cb 0.10 -2.84 0.04 0.00 -0.11 0.00 0.00 41.96 39.15 3gpd s TYR 48 CO 0.66 -0.68 0.01 -0.51 -1.11 0.00 0.00 175.55 173.91 3gpd s ASP 49 N 2.01 2.02 0.42 2.29 1.01 -1.00 -4.56 116.67 118.85 3gpd s ASP 49 Ca 0.06 -0.32 0.29 0.00 0.71 0.00 0.00 52.55 53.29 3gpd s ASP 49 Cb -0.20 -0.52 1.50 0.00 1.01 0.00 0.00 42.92 44.71 3gpd s ASP 49 CO 0.10 -0.22 1.87 0.77 0.21 0.00 0.00 175.17 177.90 3gpd h SER 50 N 8.29 0.00 0.19 0.27 4.64 -1.96 0.75 113.55 125.73 3gpd h SER 50 Ca -0.19 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.77 3gpd h SER 50 Cb 1.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 3gpd h SER 50 CO 0.29 0.00 -2.04 1.07 -0.87 0.00 0.00 176.83 175.28 3gpd n THR 51 N -2.52 1.65 0.38 2.95 5.66 -1.26 -4.63 114.28 116.53 3gpd n THR 51 Ca -0.01 -0.70 0.05 0.00 -3.05 0.00 0.00 64.05 60.34 3gpd n THR 51 Cb 0.08 -1.38 0.05 0.00 -1.55 0.00 0.00 70.33 67.53 3gpd n THR 51 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3gpd n HIS 52 N -3.26 0.04 0.00 1.09 8.25 0.02 -5.01 115.22 116.35 3gpd n HIS 52 Ca -0.31 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3gpd n HIS 52 Cb 1.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 3gpd n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gpd n GLY 53 N 0.58 0.16 0.00 -1.41 0.00 0.04 -5.01 105.19 99.55 3gpd n GLY 53 Ca 0.06 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3gpd n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gpd n LYS 54 N 0.00 2.03 0.00 1.61 4.81 -1.26 -2.39 118.16 122.96 3gpd n LYS 54 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gpd n LYS 54 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3gpd n LYS 54 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3gpd n PHE 55 N -0.27 0.00 0.00 5.64 -0.00 0.70 -4.83 117.46 118.70 3gpd n PHE 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3gpd n PHE 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3gpd n PHE 55 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3gpd n HIS 56 N -0.25 0.00 0.00 -5.13 8.25 -1.26 -5.06 115.22 111.77 3gpd n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gpd n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gpd n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gpd n GLY 57 N -0.14 1.67 0.00 -1.41 0.00 -1.26 -4.36 105.19 99.69 3gpd n GLY 57 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gpd n GLY 57 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gpd n THR 58 N 0.00 0.00 -3.72 2.61 5.66 -1.26 -4.97 114.28 112.60 3gpd n THR 58 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 3gpd n THR 58 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 3gpd n THR 58 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gpd s VAL 59 N 0.00 3.66 0.15 1.08 0.11 -1.26 -1.56 120.40 122.58 3gpd s VAL 59 Ca 0.00 -1.67 0.03 0.00 -2.93 0.00 0.00 61.98 57.41 3gpd s VAL 59 Cb 0.00 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3gpd s VAL 59 CO 0.00 -0.52 -0.04 -0.75 -3.33 0.00 0.00 175.10 170.45 3gpd s LYS 60 N 1.29 1.03 -0.56 1.54 2.20 -0.66 -4.80 119.74 119.78 3gpd s LYS 60 Ca 0.04 -1.46 -0.17 0.00 -0.36 0.00 0.00 55.97 54.02 3gpd s LYS 60 Cb -0.23 -0.36 0.13 0.00 -1.51 0.00 0.00 37.83 35.86 3gpd s LYS 60 CO -0.01 -0.04 0.55 0.00 -0.36 0.00 0.00 175.35 175.49 3gpd s ALA 61 N -3.55 3.61 0.08 3.13 0.00 -1.26 0.45 121.76 124.22 3gpd s ALA 61 Ca 0.19 -2.49 0.01 0.00 0.00 0.00 0.00 51.96 49.67 3gpd s ALA 61 Cb 0.05 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3gpd s ALA 61 CO 0.01 -2.10 0.03 0.39 0.00 0.00 0.00 175.76 174.09 3gpd n GLU 62 N 5.47 0.85 -1.34 0.00 1.02 -1.10 -5.03 120.64 120.51 3gpd n GLU 62 Ca -0.12 -0.71 -0.56 0.00 -0.02 0.00 0.00 57.16 55.75 3gpd n GLU 62 Cb 0.41 0.39 -0.10 0.00 -0.02 0.00 0.00 31.44 32.12 3gpd n GLU 62 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gpd n ASP 63 N -1.96 1.40 0.00 1.62 10.43 -1.26 -2.02 116.55 124.76 3gpd n ASP 63 Ca -0.01 0.56 0.00 0.00 2.57 0.00 0.00 54.79 57.91 3gpd n ASP 63 Cb 0.13 -1.07 0.00 0.00 1.84 0.00 0.00 41.12 42.02 3gpd n ASP 63 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpd n GLY 64 N 7.03 0.37 0.00 0.44 0.00 -1.26 -4.68 105.19 107.09 3gpd n GLY 64 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3gpd n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gpd n LYS 65 N -2.00 0.00 -4.52 1.61 2.85 -0.86 -4.24 118.16 111.01 3gpd n LYS 65 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 3gpd n LYS 65 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 3gpd n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3gpd s LEU 66 N 0.00 3.07 -0.35 -5.58 2.01 0.27 -2.71 118.68 115.39 3gpd s LEU 66 Ca 0.00 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.96 3gpd s LEU 66 Cb 0.00 -1.75 0.09 0.00 0.01 0.00 0.00 46.19 44.54 3gpd s LEU 66 CO 0.00 0.29 0.07 0.68 1.01 0.00 0.00 176.35 178.40 3gpd s VAL 67 N -0.96 2.78 -0.60 -1.59 -7.23 0.17 -0.55 120.40 112.43 3gpd s VAL 67 Ca 0.16 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 3gpd s VAL 67 Cb -0.11 -2.85 0.13 0.00 0.56 0.00 0.00 36.38 34.11 3gpd s VAL 67 CO 0.06 -0.46 0.62 -0.63 -0.31 0.00 0.00 175.10 174.39 3gpd s ILE 68 N 1.09 5.09 -1.21 -0.62 1.09 -1.24 -1.66 121.20 123.73 3gpd s ILE 68 Ca 0.04 -1.41 -0.07 0.00 -1.10 0.00 0.00 60.65 58.12 3gpd s ILE 68 Cb -0.21 -4.42 0.01 0.00 -1.06 0.00 0.00 42.46 36.78 3gpd s ILE 68 CO -0.05 -1.00 1.05 -0.67 -0.10 0.00 0.00 174.94 174.17 3gpd n ASP 69 N 5.58 -5.22 0.00 3.58 -0.08 -0.60 -3.28 116.55 116.53 3gpd n ASP 69 Ca -0.08 -0.51 0.00 0.00 -1.51 0.00 0.00 54.79 52.69 3gpd n ASP 69 Cb 0.42 -4.65 0.00 0.00 2.34 0.00 0.00 41.12 39.23 3gpd n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gpd n GLY 70 N -1.73 1.03 3.53 0.27 0.00 -1.26 -4.90 105.19 102.12 3gpd n GLY 70 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3gpd n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpd n LYS 71 N 0.00 0.44 -1.44 1.61 5.02 -1.20 -4.73 118.16 117.86 3gpd n LYS 71 Ca 0.00 -0.11 -0.49 0.00 -2.02 0.00 0.00 58.31 55.68 3gpd n LYS 71 Cb 0.00 -2.41 -0.08 0.00 -0.02 0.00 0.00 35.03 32.52 3gpd n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gpd n ALA 72 N 12.84 0.90 -2.51 7.82 0.00 -1.26 -3.69 120.51 134.61 3gpd n ALA 72 Ca 0.54 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3gpd n ALA 72 Cb 0.28 -2.53 -0.11 0.00 0.00 0.00 0.00 19.45 17.08 3gpd n ALA 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gpd s ILE 73 N 7.77 3.03 0.32 0.00 1.09 0.29 -4.37 121.20 129.34 3gpd s ILE 73 Ca 1.12 -1.29 0.11 0.00 -1.10 0.00 0.00 60.65 59.49 3gpd s ILE 73 Cb -0.90 -2.36 -0.06 0.00 -1.06 0.00 0.00 42.46 38.08 3gpd s ILE 73 CO 0.49 0.20 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.49 3gpd s THR 74 N -1.09 2.36 -0.08 2.92 2.01 -1.26 -0.56 115.64 119.93 3gpd s THR 74 Ca 0.18 -2.29 0.05 0.00 0.31 0.00 0.00 61.69 59.94 3gpd s THR 74 Cb -0.11 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.90 3gpd s THR 74 CO 0.09 -0.29 -0.24 0.27 -0.69 0.00 0.00 174.62 173.76 3gpd s ILE 75 N -2.56 2.06 -0.26 1.82 -5.25 -1.26 0.63 121.20 116.39 3gpd s ILE 75 Ca 0.31 -1.04 -0.03 0.00 -0.99 0.00 0.00 60.65 58.90 3gpd s ILE 75 Cb -0.01 -1.76 0.02 0.00 2.95 0.00 0.00 42.46 43.65 3gpd s ILE 75 CO 0.16 0.56 -0.01 -0.36 -1.79 0.00 0.00 174.94 173.50 3gpd s PHE 76 N 0.13 3.08 0.00 1.37 2.99 0.91 -4.94 117.98 121.53 3gpd s PHE 76 Ca -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 56.93 55.49 3gpd s PHE 76 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 43.02 40.73 3gpd s PHE 76 CO 0.07 -0.66 0.09 1.04 -0.00 0.00 0.00 175.22 175.76 3gpd n GLN 77 N 4.74 0.00 0.00 0.44 6.02 -1.26 0.69 117.38 128.01 3gpd n GLN 77 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3gpd n GLN 77 Cb 0.48 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3gpd n GLN 77 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3gpd n GLU 78 N -0.14 0.00 -3.88 -1.09 0.00 -1.26 -2.34 120.64 111.94 3gpd n GLU 78 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 3gpd n GLU 78 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 3gpd n GLU 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3gpd s ARG 79 N 0.00 1.18 0.00 3.44 0.52 -1.26 -3.92 118.95 118.91 3gpd s ARG 79 Ca 0.00 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 3gpd s ARG 79 Cb 0.00 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.94 3gpd s ARG 79 CO 0.00 -0.87 0.00 -3.47 0.02 0.00 0.00 175.30 170.98 3gpd n ASP 80 N 4.62 0.00 -0.24 0.23 4.64 -1.26 -4.97 116.55 119.56 3gpd n ASP 80 Ca -0.03 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.40 3gpd n ASP 80 Cb 0.43 0.00 0.14 0.00 -1.04 0.00 0.00 41.12 40.64 3gpd n ASP 80 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3gpd h PRO 81 N 0.00 0.57 -0.96 -0.67 0.10 -1.98 0.33 132.00 129.39 3gpd h PRO 81 Ca 0.00 -0.03 0.22 0.00 0.10 0.00 0.00 66.00 66.28 3gpd h PRO 81 Cb 0.00 -0.13 -0.12 0.00 0.10 0.00 0.00 31.00 30.85 3gpd h PRO 81 CO 0.00 0.38 0.53 1.05 0.10 0.00 0.00 178.00 180.06 3gpd h GLU 82 N 0.59 0.57 -0.71 1.05 9.09 -1.83 3.74 114.58 127.07 3gpd h GLU 82 Ca 0.35 -0.03 0.10 0.00 0.05 0.00 0.00 59.36 59.83 3gpd h GLU 82 Cb 0.37 -0.13 -0.08 0.00 -1.65 0.00 0.00 28.75 27.27 3gpd h GLU 82 CO -0.27 0.37 0.33 -0.91 0.05 0.00 0.00 179.01 178.59 3gpd h ASN 83 N 0.58 0.41 0.00 3.06 2.35 -0.73 -3.31 115.58 117.94 3gpd h ASN 83 Ca 0.59 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.41 3gpd h ASN 83 Cb 1.05 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3gpd h ASN 83 CO -0.46 0.22 0.00 2.30 -1.65 0.00 0.00 177.43 177.85 3gpd n ILE 84 N -4.90 0.00 0.01 2.81 -6.64 1.24 -4.97 119.36 106.90 3gpd n ILE 84 Ca 0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.09 3gpd n ILE 84 Cb 0.30 -0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.46 3gpd n ILE 84 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 3gpd n LYS 85 N 0.00 0.00 0.00 6.28 0.00 -1.26 -4.85 118.16 118.32 3gpd n LYS 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3gpd n LYS 85 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 35.03 34.94 3gpd n LYS 85 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 3gpd n TRP 86 N -2.68 0.00 0.20 5.58 5.03 -1.26 -0.29 117.44 124.03 3gpd n TRP 86 Ca 0.00 0.00 0.17 0.00 3.03 0.00 0.00 57.50 60.70 3gpd n TRP 86 Cb 0.00 -0.07 0.82 0.00 -1.03 0.00 0.00 31.31 31.03 3gpd n TRP 86 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 3gpd h GLY 87 N 0.00 0.00 -6.97 6.99 0.00 -1.89 -3.30 103.07 97.90 3gpd h GLY 87 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 3gpd h GLY 87 CO 0.00 0.00 -0.09 0.99 0.00 0.00 0.00 176.54 177.44 3gpd s ASP 88 N -5.84 6.37 0.00 0.19 -0.00 -1.26 -2.65 116.67 113.49 3gpd s ASP 88 Ca -0.05 0.45 0.00 0.00 -0.00 0.00 0.00 52.55 52.95 3gpd s ASP 88 Cb 0.15 -2.26 0.00 0.00 -0.00 0.00 0.00 42.92 40.82 3gpd s ASP 88 CO 0.56 -0.25 0.00 0.00 -0.00 0.00 0.00 175.17 175.48 3gpd n ALA 89 N 5.45 0.00 -3.08 5.23 0.00 -1.26 -4.73 120.51 122.12 3gpd n ALA 89 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 3gpd n ALA 89 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 3gpd n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpd n GLY 90 N -0.68 -1.27 2.70 0.00 0.00 -1.08 -4.84 105.19 100.02 3gpd n GLY 90 Ca 0.00 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 3gpd n GLY 90 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gpd n THR 91 N 0.27 2.96 -0.33 2.61 5.66 -1.24 -4.73 114.28 119.47 3gpd n THR 91 Ca 0.01 -5.20 0.03 0.00 -3.05 0.00 0.00 64.05 55.84 3gpd n THR 91 Cb 0.44 -1.33 0.09 0.00 -1.55 0.00 0.00 70.33 67.97 3gpd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gpd n ALA 92 N -0.37 0.09 -3.23 1.79 0.00 -1.16 -4.03 120.51 113.59 3gpd n ALA 92 Ca 0.38 0.96 -0.37 0.00 0.00 0.00 0.00 53.44 54.40 3gpd n ALA 92 Cb 0.50 -0.52 -0.13 0.00 0.00 0.00 0.00 19.45 19.30 3gpd n ALA 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gpd s TYR 93 N -6.03 3.14 0.06 0.00 1.51 -1.00 -0.84 117.35 114.19 3gpd s TYR 93 Ca -0.13 -1.01 0.06 0.00 -1.01 0.00 0.00 57.07 54.97 3gpd s TYR 93 Cb 0.22 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3gpd s TYR 93 CO 0.68 -0.58 -0.10 0.14 -1.11 0.00 0.00 175.55 174.58 3gpd s VAL 94 N 1.49 3.38 0.04 0.71 -7.23 -0.95 -3.38 120.40 114.46 3gpd s VAL 94 Ca 0.02 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 3gpd s VAL 94 Cb -0.17 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3gpd s VAL 94 CO 0.02 0.23 -0.04 0.54 -0.31 0.00 0.00 175.10 175.54 3gpd s VAL 95 N -1.11 3.79 0.05 1.32 0.11 -0.46 -0.75 120.40 123.36 3gpd s VAL 95 Ca 0.19 -0.86 0.09 0.00 -2.93 0.00 0.00 61.98 58.47 3gpd s VAL 95 Cb -0.11 -2.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 3gpd s VAL 95 CO 0.11 0.28 -0.26 -1.61 -3.33 0.00 0.00 175.10 170.29 3gpd s GLU 96 N -1.77 1.78 0.00 1.54 2.02 -0.96 -0.74 118.70 120.57 3gpd s GLU 96 Ca 0.20 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3gpd s GLU 96 Cb -0.11 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3gpd s GLU 96 CO 0.12 0.51 0.00 -1.13 0.02 0.00 0.00 175.26 174.77 3gpd n SER 97 N 1.76 0.00 0.00 -0.19 3.41 0.44 -2.07 113.62 116.97 3gpd n SER 97 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3gpd n SER 97 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3gpd n SER 97 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gpd n THR 98 N 0.00 0.00 0.00 6.66 -1.04 -1.22 -4.73 114.28 113.95 3gpd n THR 98 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gpd n THR 98 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3gpd n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gpd n GLY 99 N 0.00 2.27 0.00 3.41 0.00 -1.26 -4.94 105.19 104.67 3gpd n GLY 99 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3gpd n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gpd n VAL 100 N 0.00 0.00 -1.69 1.61 0.31 -1.26 -4.67 118.33 112.62 3gpd n VAL 100 Ca 0.00 1.37 -0.55 0.00 -0.01 0.00 0.00 64.34 65.14 3gpd n VAL 100 Cb 0.00 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 30.79 3gpd n VAL 100 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gpd n PHE 101 N -2.11 2.10 0.00 3.52 3.72 -1.26 -4.91 117.46 118.52 3gpd n PHE 101 Ca 0.00 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 3gpd n PHE 101 Cb 0.00 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.03 3gpd n PHE 101 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3gpd n THR 102 N 4.86 0.00 0.00 4.37 5.66 -1.26 -4.94 114.28 122.97 3gpd n THR 102 Ca 0.26 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 3gpd n THR 102 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 3gpd n THR 102 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3gpd n THR 103 N -0.00 0.00 0.06 1.09 5.66 -1.26 -4.82 114.28 115.01 3gpd n THR 103 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 3gpd n THR 103 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 3gpd n THR 103 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 3gpd h MET 104 N 0.00 -0.18 0.00 1.09 1.85 -1.92 -2.44 114.93 113.33 3gpd h MET 104 Ca 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3gpd h MET 104 Cb 0.00 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.07 3gpd h MET 104 CO 0.00 -0.12 0.00 0.39 -0.40 0.00 0.00 176.91 176.78 3gpd n GLU 105 N -5.23 0.00 0.04 0.39 -0.58 -1.26 0.29 120.64 114.29 3gpd n GLU 105 Ca -0.06 0.46 -0.02 0.00 -0.42 0.00 0.00 57.16 57.13 3gpd n GLU 105 Cb 0.15 -0.78 -0.01 0.00 -0.57 0.00 0.00 31.44 30.23 3gpd n GLU 105 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gpd h LYS 106 N 0.00 -0.11 -0.52 3.49 6.56 -1.86 -0.93 116.57 123.21 3gpd h LYS 106 Ca 0.00 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.70 3gpd h LYS 106 Cb 0.00 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.60 3gpd h LYS 106 CO 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 179.45 177.30 3gpd h ALA 107 N -1.94 0.47 -0.68 3.86 0.00 -1.51 4.26 119.26 123.72 3gpd h ALA 107 Ca -0.01 0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.26 3gpd h ALA 107 Cb 0.09 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gpd h ALA 107 CO 0.02 -0.40 0.77 0.78 0.00 0.00 0.00 179.25 180.42 3gpd h GLY 108 N 0.09 0.00 1.23 0.00 0.00 -0.14 -2.63 103.07 101.62 3gpd h GLY 108 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 3gpd h GLY 108 CO -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.05 3gpd h ALA 109 N 1.10 0.95 -0.90 3.60 0.00 0.98 -3.35 119.26 121.64 3gpd h ALA 109 Ca 0.32 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.11 3gpd h ALA 109 Cb 1.85 -0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.27 3gpd h ALA 109 CO -0.00 0.63 -0.21 1.25 0.00 0.00 0.00 179.25 180.91 3gpd h HIS 110 N 0.85 -0.46 -1.41 0.00 2.76 -1.39 -2.22 115.15 113.29 3gpd h HIS 110 Ca 0.15 0.08 0.41 0.00 -2.20 0.00 0.00 60.37 58.81 3gpd h HIS 110 Cb 0.54 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.79 3gpd h HIS 110 CO 0.03 -0.39 1.19 -0.07 -1.30 0.00 0.00 177.93 177.40 3gpd h LEU 111 N 0.00 0.00 -0.52 0.26 3.38 -1.79 0.22 115.31 116.85 3gpd h LEU 111 Ca 0.44 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.45 3gpd h LEU 111 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3gpd h LEU 111 CO -0.92 0.00 0.28 0.50 0.09 0.00 0.00 178.44 178.39 3gpd h LYS 112 N 0.00 0.53 -0.22 1.13 1.63 -1.70 -1.65 116.57 116.28 3gpd h LYS 112 Ca 0.67 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.32 3gpd h LYS 112 Cb 3.05 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 34.55 3gpd h LYS 112 CO -0.01 0.35 -0.37 0.78 -3.45 0.00 0.00 179.45 176.76 3gpd h GLY 113 N 0.54 0.52 0.00 5.01 0.00 -0.65 -3.48 103.07 105.02 3gpd h GLY 113 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3gpd h GLY 113 CO -0.14 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.45 3gpd n GLY 114 N -0.14 -2.43 0.02 4.60 0.00 0.60 -3.33 105.19 104.51 3gpd n GLY 114 Ca -0.01 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3gpd n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 115 N 0.00 -1.21 -0.29 4.61 0.00 -1.26 -4.50 120.51 117.85 3gpd n ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gpd n ALA 115 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3gpd n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gpd n LYS 116 N -0.16 0.00 -5.21 0.00 4.01 -0.02 -4.80 118.16 111.99 3gpd n LYS 116 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.49 3gpd n LYS 116 Cb 0.11 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.47 3gpd n LYS 116 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gpd s ARG 117 N -0.71 2.25 -0.08 1.97 1.81 -0.80 -4.85 118.95 118.54 3gpd s ARG 117 Ca 0.00 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.18 3gpd s ARG 117 Cb 0.00 -2.13 -0.00 0.00 -0.45 0.00 0.00 34.95 32.37 3gpd s ARG 117 CO 0.00 0.56 -0.22 0.42 -0.68 0.00 0.00 175.30 175.38 3gpd s ILE 118 N -0.59 1.85 -0.11 1.52 1.09 -1.20 -2.25 121.20 121.51 3gpd s ILE 118 Ca 0.09 -0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 58.71 3gpd s ILE 118 Cb -0.10 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 3gpd s ILE 118 CO -0.00 0.52 -0.05 0.54 -0.10 0.00 0.00 174.94 175.84 3gpd s VAL 119 N 0.25 3.83 0.12 2.92 0.11 0.07 -1.53 120.40 126.17 3gpd s VAL 119 Ca -0.13 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 3gpd s VAL 119 Cb -0.16 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 3gpd s VAL 119 CO 0.06 0.55 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.65 3gpd s ILE 120 N -0.28 3.29 -0.99 7.04 1.01 0.70 -2.25 121.20 129.72 3gpd s ILE 120 Ca 0.04 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 3gpd s ILE 120 Cb -0.13 -2.56 0.19 0.00 0.01 0.00 0.00 42.46 39.98 3gpd s ILE 120 CO 0.02 0.06 1.08 -0.94 0.00 0.00 0.00 174.94 175.16 3gpd s SER 121 N -2.36 6.90 0.00 3.58 1.04 -0.88 -0.66 113.70 121.32 3gpd s SER 121 Ca 0.22 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 53.91 3gpd s SER 121 Cb -0.10 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3gpd s SER 121 CO 0.14 -0.70 0.00 0.00 0.98 0.00 0.00 173.24 173.66 3gpd n ALA 122 N 4.84 0.00 -0.49 5.32 0.00 -1.13 -4.84 120.51 124.21 3gpd n ALA 122 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 3gpd n ALA 122 Cb 0.45 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.12 3gpd n ALA 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gpd n PRO 123 N -1.90 -4.01 -3.64 0.00 -0.05 -1.26 -4.35 135.00 119.79 3gpd n PRO 123 Ca 0.00 -1.08 -0.07 0.00 -0.05 0.00 0.00 63.50 62.30 3gpd n PRO 123 Cb 0.00 -1.37 -0.07 0.00 -0.05 0.00 0.00 33.50 32.01 3gpd n PRO 123 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3gpd s SER 124 N -2.87 -0.38 0.05 3.54 0.15 -1.26 -4.80 113.70 108.14 3gpd s SER 124 Ca 0.49 0.72 -0.30 0.00 0.70 0.00 0.00 55.95 57.56 3gpd s SER 124 Cb -0.08 0.78 -0.18 0.00 -1.71 0.00 0.00 66.02 64.83 3gpd s SER 124 CO 0.41 -0.12 1.50 0.00 1.20 0.00 0.00 173.24 176.23 3gpd h ALA 125 N 4.23 -0.73 -2.00 5.45 0.00 -1.98 -3.40 119.26 120.83 3gpd h ALA 125 Ca -0.28 -0.18 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 3gpd h ALA 125 Cb 1.18 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 19.10 3gpd h ALA 125 CO 0.13 -0.86 0.27 0.34 0.00 0.00 0.00 179.25 179.14 3gpd s ASP 126 N -4.62 6.29 0.00 0.00 3.68 -1.26 -5.02 116.67 115.74 3gpd s ASP 126 Ca -0.16 -0.56 0.00 0.00 2.13 0.00 0.00 52.55 53.95 3gpd s ASP 126 Cb 0.03 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3gpd s ASP 126 CO 0.59 -1.00 0.00 0.00 0.13 0.00 0.00 175.17 174.89 3gpd n ALA 127 N 6.70 0.00 -1.79 3.66 0.00 -1.26 -2.70 120.51 125.12 3gpd n ALA 127 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3gpd n ALA 127 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 3gpd n ALA 127 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gpd s PRO 128 N -3.18 4.15 -0.02 0.00 0.05 -1.26 -4.95 135.00 129.79 3gpd s PRO 128 Ca 0.00 2.53 0.05 0.00 0.05 0.00 0.00 61.00 63.63 3gpd s PRO 128 Cb 0.00 -3.09 -0.01 0.00 0.05 0.00 0.00 34.50 31.45 3gpd s PRO 128 CO 0.00 -0.68 -0.17 1.41 0.05 0.00 0.00 177.00 177.60 3gpd s MET 129 N 0.81 1.46 0.00 4.56 1.75 -1.26 -2.13 119.30 124.49 3gpd s MET 129 Ca 0.71 -0.63 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 3gpd s MET 129 Cb -0.48 -1.39 0.00 0.00 2.84 0.00 0.00 34.83 35.80 3gpd s MET 129 CO 0.35 0.36 0.00 1.19 -0.65 0.00 0.00 175.02 176.27 3gpd n PHE 130 N 2.70 -0.20 -3.62 4.11 3.01 -0.48 -4.87 117.46 118.13 3gpd n PHE 130 Ca -0.15 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.30 3gpd n PHE 130 Cb 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.00 3gpd n PHE 130 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3gpd s VAL 131 N -2.18 0.00 0.13 -4.37 -7.23 -1.26 -0.93 120.40 104.56 3gpd s VAL 131 Ca 0.00 -0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.81 3gpd s VAL 131 Cb 0.00 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 3gpd s VAL 131 CO 0.00 0.00 1.78 0.24 -0.31 0.00 0.00 175.10 176.81 3gpd h MET 132 N 2.00 0.30 0.11 4.82 2.86 -1.94 -2.81 114.93 120.27 3gpd h MET 132 Ca -0.22 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 3gpd h MET 132 Cb 1.19 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3gpd h MET 132 CO 0.26 0.21 -0.05 0.78 1.06 0.00 0.00 176.91 179.17 3gpd h GLY 133 N 0.31 -0.15 2.00 8.32 0.00 -1.97 -3.32 103.07 108.27 3gpd h GLY 133 Ca 0.08 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 3gpd h GLY 133 CO -0.02 -0.05 -0.33 -2.08 0.00 0.00 0.00 176.54 174.06 3gpd h VAL 134 N -0.15 0.65 -0.81 4.60 2.07 -1.89 -3.43 116.25 117.30 3gpd h VAL 134 Ca -0.01 -1.61 0.27 0.00 0.82 0.00 0.00 66.70 66.17 3gpd h VAL 134 Cb 0.11 2.09 -0.15 0.00 -1.52 0.00 0.00 31.29 31.82 3gpd h VAL 134 CO 0.02 0.33 0.20 -0.46 0.02 0.00 0.00 177.57 177.68 3gpd n ASN 135 N -3.30 0.07 0.00 0.57 6.94 -1.06 -4.78 115.26 113.71 3gpd n ASN 135 Ca 0.01 1.36 0.00 0.00 -0.02 0.00 0.00 54.58 55.93 3gpd n ASN 135 Cb 0.58 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 3gpd n ASN 135 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3gpd n HIS 136 N -5.01 0.00 0.48 -2.53 8.25 -1.26 -1.52 115.22 113.63 3gpd n HIS 136 Ca 0.24 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.81 3gpd n HIS 136 Cb 0.81 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.37 3gpd n HIS 136 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gpd n PHE 137 N 11.61 0.60 -0.27 4.41 7.35 -1.26 -3.51 117.46 136.39 3gpd n PHE 137 Ca 0.00 0.22 -0.01 0.00 -0.76 0.00 0.00 57.45 56.91 3gpd n PHE 137 Cb 0.00 -0.86 0.06 0.00 0.35 0.00 0.00 39.48 39.03 3gpd n PHE 137 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3gpd h LYS 138 N 0.00 -0.05 -6.22 -4.13 3.64 -1.62 -3.38 116.57 104.81 3gpd h LYS 138 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3gpd h LYS 138 Cb 0.39 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3gpd h LYS 138 CO 0.00 -0.03 1.26 -0.47 -2.27 0.00 0.00 179.45 177.94 3gpd s TYR 139 N -6.12 1.58 -0.15 1.91 5.04 -1.23 -4.92 117.35 113.46 3gpd s TYR 139 Ca -0.14 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3gpd s TYR 139 Cb 0.20 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.49 3gpd s TYR 139 CO 0.73 -4.11 -0.14 0.00 -1.34 0.00 0.00 175.55 170.69 3gpd s ALA 140 N 5.82 1.87 0.33 3.97 0.00 -1.26 -4.94 121.76 127.55 3gpd s ALA 140 Ca 0.85 -0.91 0.28 0.00 0.00 0.00 0.00 51.96 52.19 3gpd s ALA 140 Cb -0.33 -1.05 1.07 0.00 0.00 0.00 0.00 23.12 22.82 3gpd s ALA 140 CO 0.35 -0.36 1.03 0.09 0.00 0.00 0.00 175.76 176.86 3gpd n ASN 141 N 4.73 0.06 0.32 0.00 5.03 -1.26 0.45 115.26 124.59 3gpd n ASN 141 Ca -0.17 0.77 0.16 0.00 0.87 0.00 0.00 54.58 56.20 3gpd n ASN 141 Cb 0.50 -0.38 0.81 0.00 -1.02 0.00 0.00 39.78 39.69 3gpd n ASN 141 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3gpd h SER 142 N 0.00 0.00 -3.16 6.41 4.64 -1.98 -3.40 113.55 116.06 3gpd h SER 142 Ca 0.60 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.32 3gpd h SER 142 Cb 2.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.24 3gpd h SER 142 CO -0.14 0.00 -0.24 -0.76 -0.87 0.00 0.00 176.83 174.82 3gpd s LEU 143 N -5.89 4.35 -0.26 5.97 1.43 1.57 -5.01 118.68 120.84 3gpd s LEU 143 Ca -0.03 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3gpd s LEU 143 Cb 0.09 -2.52 -0.16 0.00 0.03 0.00 0.00 46.19 43.63 3gpd s LEU 143 CO 0.29 0.18 -0.25 0.29 0.23 0.00 0.00 176.35 177.09 3gpd n LYS 144 N 2.84 0.64 -4.19 1.70 4.76 -1.26 -4.96 118.16 117.68 3gpd n LYS 144 Ca -0.12 0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 3gpd n LYS 144 Cb 0.52 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.09 3gpd n LYS 144 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gpd s ILE 145 N -2.52 1.02 -0.01 -0.18 -4.36 -1.26 -3.27 121.20 110.62 3gpd s ILE 145 Ca -0.36 -1.69 -0.10 0.00 -0.26 0.00 0.00 60.65 58.24 3gpd s ILE 145 Cb 0.10 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.40 3gpd s ILE 145 CO 0.58 -0.55 0.21 -0.51 0.24 0.00 0.00 174.94 174.91 3gpd s ILE 146 N -2.47 0.07 0.24 8.37 2.07 -0.58 -4.49 121.20 124.40 3gpd s ILE 146 Ca 0.07 -0.55 0.11 0.00 -1.41 0.00 0.00 60.65 58.87 3gpd s ILE 146 Cb -0.03 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 3gpd s ILE 146 CO 0.01 -0.30 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.03 3gpd s SER 147 N -1.23 3.85 -0.31 4.50 0.15 -0.91 -0.21 113.70 119.54 3gpd s SER 147 Ca -0.13 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.72 3gpd s SER 147 Cb -0.06 -0.47 0.08 0.00 -1.71 0.00 0.00 66.02 63.87 3gpd s SER 147 CO 0.02 0.06 -0.01 0.21 1.20 0.00 0.00 173.24 174.73 3gpd s ASN 148 N -3.22 4.59 0.49 5.45 2.47 0.17 -1.38 114.94 123.51 3gpd s ASN 148 Ca 0.27 -1.84 -0.09 0.00 0.42 0.00 0.00 52.86 51.63 3gpd s ASN 148 Cb -0.07 -1.55 -0.08 0.00 -1.45 0.00 0.00 41.25 38.10 3gpd s ASN 148 CO 0.15 -0.31 -0.39 0.00 -3.72 0.00 0.00 177.10 172.83 3gpd n ALA 149 N 4.35 -3.91 -0.66 1.71 0.00 -0.11 -2.84 120.51 119.06 3gpd n ALA 149 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 3gpd n ALA 149 Cb 0.42 -0.59 0.25 0.00 0.00 0.00 0.00 19.45 19.53 3gpd n ALA 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gpd s SER 150 N -0.51 0.41 0.00 0.00 0.15 -1.26 -4.39 113.70 108.10 3gpd s SER 150 Ca 0.21 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3gpd s SER 150 Cb -0.10 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 3gpd s SER 150 CO 0.42 -4.49 0.79 0.00 1.20 0.00 0.00 173.24 171.16 3gpd n THR 152 N -2.04 0.00 -0.36 0.00 -1.04 -1.26 -2.28 114.28 107.30 3gpd n THR 152 Ca 0.00 1.00 0.33 0.00 -2.04 0.00 0.00 64.05 63.34 3gpd n THR 152 Cb 0.00 -1.49 0.59 0.00 -1.82 0.00 0.00 70.33 67.61 3gpd n THR 152 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gpd n THR 153 N -1.10 -0.33 0.12 12.58 -1.04 -1.18 -0.80 114.28 122.53 3gpd n THR 153 Ca 0.00 1.81 -0.20 0.00 -2.04 0.00 0.00 64.05 63.62 3gpd n THR 153 Cb 0.00 -2.95 -0.15 0.00 -1.82 0.00 0.00 70.33 65.41 3gpd n THR 153 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3gpd h ASN 154 N 0.00 0.62 0.04 8.00 -0.73 0.30 -3.01 115.58 120.80 3gpd h ASN 154 Ca 0.81 -0.69 -0.21 0.00 1.87 0.00 0.00 56.30 58.08 3gpd h ASN 154 Cb 2.35 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 40.74 3gpd h ASN 154 CO -0.60 1.55 -0.77 0.00 -0.37 0.00 0.00 177.43 177.24 3gpd h LEU 156 N 0.42 -0.86 -0.55 0.00 -0.00 -1.02 -3.18 115.31 110.13 3gpd h LEU 156 Ca -0.05 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 3gpd h LEU 156 Cb 1.37 0.30 -0.10 0.00 -0.00 0.00 0.00 40.66 42.24 3gpd h LEU 156 CO 0.15 -0.34 -0.18 0.00 -0.00 0.00 0.00 178.44 178.07 3gpd n ALA 157 N -2.66 0.03 -0.09 1.53 0.00 -1.14 -0.05 120.51 118.13 3gpd n ALA 157 Ca -0.06 0.57 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 3gpd n ALA 157 Cb 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 3gpd n ALA 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gpd h PRO 158 N 0.00 -0.11 -0.63 0.00 0.11 -1.62 -2.39 132.00 127.35 3gpd h PRO 158 Ca 0.22 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.46 3gpd h PRO 158 Cb 0.36 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.41 3gpd h PRO 158 CO -0.55 -0.07 0.16 1.25 -0.21 0.00 0.00 178.00 178.58 3gpd h LEU 159 N -0.11 0.06 0.00 2.35 5.85 -0.59 -3.13 115.31 119.73 3gpd h LEU 159 Ca 0.17 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3gpd h LEU 159 Cb 0.37 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3gpd h LEU 159 CO -0.40 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 177.73 3gpd n ALA 160 N -2.58 -0.08 -0.48 1.25 0.00 -0.91 -1.76 120.51 115.94 3gpd n ALA 160 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gpd n ALA 160 Cb 0.34 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3gpd n ALA 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gpd n LYS 161 N -1.99 0.00 -0.27 0.00 0.00 -1.18 0.40 118.16 115.12 3gpd n LYS 161 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 3gpd n LYS 161 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 35.03 34.68 3gpd n LYS 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3gpd n VAL 162 N -0.38 -0.39 0.04 3.15 0.31 -1.23 0.19 118.33 120.02 3gpd n VAL 162 Ca 0.00 1.65 -0.08 0.00 -0.01 0.00 0.00 64.34 65.90 3gpd n VAL 162 Cb 0.00 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 30.72 3gpd n VAL 162 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3gpd h ILE 163 N 0.00 0.58 -0.46 2.52 5.03 -0.49 -2.54 117.51 122.15 3gpd h ILE 163 Ca 0.22 -1.15 -0.13 0.00 -0.12 0.00 0.00 64.86 63.68 3gpd h ILE 163 Cb 0.40 1.02 -0.01 0.00 -3.03 0.00 0.00 36.82 35.19 3gpd h ILE 163 CO -0.69 0.17 -0.23 -0.74 -0.68 0.00 0.00 178.15 175.98 3gpd h HIS 164 N -0.97 1.10 -0.09 1.37 -0.00 0.24 -1.02 115.15 115.77 3gpd h HIS 164 Ca -0.02 -0.27 0.02 0.00 -0.00 0.00 0.00 60.37 60.10 3gpd h HIS 164 Cb 0.43 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3gpd h HIS 164 CO 0.07 1.08 0.07 -0.44 -0.00 0.00 0.00 177.93 178.71 3gpd h ASP 165 N 0.82 0.04 0.00 3.26 3.45 0.20 -3.24 116.42 120.95 3gpd h ASP 165 Ca 0.10 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3gpd h ASP 165 Cb 0.80 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 3gpd h ASP 165 CO 0.07 0.03 -1.67 1.41 -1.57 0.00 0.00 179.24 177.50 3gpd n HIS 166 N -4.52 0.00 -1.39 4.55 8.25 -0.95 -4.72 115.22 116.44 3gpd n HIS 166 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 3gpd n HIS 166 Cb 0.15 -0.35 0.03 0.00 1.12 0.00 0.00 29.99 30.94 3gpd n HIS 166 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gpd n PHE 167 N -2.02 0.00 0.00 4.41 3.01 -0.42 -4.86 117.46 117.58 3gpd n PHE 167 Ca -0.02 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.18 3gpd n PHE 167 Cb 0.43 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 3gpd n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gpd n GLY 168 N -0.35 1.57 1.76 1.37 0.00 -1.22 -1.02 105.19 107.30 3gpd n GLY 168 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gpd n GLY 168 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gpd n ILE 169 N 0.00 -2.71 -3.76 -0.61 5.41 -1.25 -4.63 119.36 111.81 3gpd n ILE 169 Ca 0.00 0.67 -0.14 0.00 1.00 0.00 0.00 62.75 64.28 3gpd n ILE 169 Cb 0.00 -1.79 -0.15 0.00 -0.71 0.00 0.00 39.64 36.99 3gpd n ILE 169 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3gpd s VAL 170 N -0.11 -0.05 0.01 1.39 -7.23 -1.02 -4.79 120.40 108.60 3gpd s VAL 170 Ca 0.00 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 3gpd s VAL 170 Cb 0.00 -0.18 0.00 0.00 0.56 0.00 0.00 36.38 36.76 3gpd s VAL 170 CO 0.00 0.08 0.00 -0.62 -0.31 0.00 0.00 175.10 174.25 3gpd n GLU 171 N 4.20 -2.52 -3.68 4.82 1.02 -1.26 -3.90 120.64 119.32 3gpd n GLU 171 Ca -0.27 1.82 -0.12 0.00 -0.02 0.00 0.00 57.16 58.57 3gpd n GLU 171 Cb 0.51 -2.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.31 3gpd n GLU 171 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gpd s GLY 172 N -0.29 -0.44 0.19 0.62 0.00 -1.11 -2.36 107.32 103.93 3gpd s GLY 172 Ca 0.00 1.70 0.06 0.00 0.00 0.00 0.00 44.72 46.49 3gpd s GLY 172 CO 0.00 1.59 -0.12 1.08 0.00 0.00 0.00 173.10 175.66 3gpd s LEU 173 N 0.73 2.53 0.22 0.66 1.43 -1.15 -3.73 118.68 119.37 3gpd s LEU 173 Ca -0.04 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 3gpd s LEU 173 Cb -0.05 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.67 3gpd s LEU 173 CO -0.05 -0.26 0.56 0.00 0.23 0.00 0.00 176.35 176.83 3gpd s MET 174 N -3.70 1.49 0.01 1.70 0.23 -1.21 -2.23 119.30 115.60 3gpd s MET 174 Ca 0.21 -0.94 -0.03 0.00 -1.03 0.00 0.00 55.69 53.89 3gpd s MET 174 Cb 0.01 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.83 3gpd s MET 174 CO 0.05 -0.64 0.05 -0.08 -2.03 0.00 0.00 175.02 172.36 3gpd s THR 175 N -3.90 0.10 -0.06 3.16 -1.32 -1.18 -3.63 115.64 108.80 3gpd s THR 175 Ca 0.12 -0.83 0.02 0.00 -1.21 0.00 0.00 61.69 59.78 3gpd s THR 175 Cb -0.02 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 3gpd s THR 175 CO 0.01 -0.46 -0.09 0.28 -2.21 0.00 0.00 174.62 172.15 3gpd s THR 176 N -1.51 0.90 -0.45 5.08 -1.32 -1.16 -1.15 115.64 116.03 3gpd s THR 176 Ca -0.15 -0.33 -0.16 0.00 -1.21 0.00 0.00 61.69 59.85 3gpd s THR 176 Cb -0.08 -0.86 0.05 0.00 -1.51 0.00 0.00 72.50 70.10 3gpd s THR 176 CO -0.00 0.31 0.40 -0.69 -2.21 0.00 0.00 174.62 172.43 3gpd s VAL 177 N 0.86 5.18 0.29 5.08 1.01 -0.96 -2.05 120.40 129.81 3gpd s VAL 177 Ca -0.11 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3gpd s VAL 177 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3gpd s VAL 177 CO 0.01 -0.52 0.22 -2.28 0.00 0.00 0.00 175.10 172.53 3gpd s HIS 178 N 1.83 2.99 0.27 5.22 2.46 -1.23 -1.40 115.29 125.44 3gpd s HIS 178 Ca 0.07 -0.20 -0.06 0.00 0.47 0.00 0.00 55.06 55.33 3gpd s HIS 178 Cb -0.21 -1.55 -0.06 0.00 -0.13 0.00 0.00 32.58 30.63 3gpd s HIS 178 CO 0.09 0.39 0.55 0.00 -2.47 0.00 0.00 174.74 173.31 3gpd s ALA 179 N -2.22 3.60 0.56 1.58 0.00 -1.13 -2.17 121.76 121.98 3gpd s ALA 179 Ca 0.36 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3gpd s ALA 179 Cb -0.07 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3gpd s ALA 179 CO 0.25 0.32 1.14 -1.50 0.00 0.00 0.00 175.76 175.97 3gpd s ILE 180 N -2.00 3.12 0.46 0.00 2.07 0.34 -4.84 121.20 120.34 3gpd s ILE 180 Ca 0.45 0.68 0.07 0.00 -1.41 0.00 0.00 60.65 60.44 3gpd s ILE 180 Cb -0.11 -3.26 -0.01 0.00 0.13 0.00 0.00 42.46 39.21 3gpd s ILE 180 CO 0.27 -0.17 0.36 0.42 -1.91 0.00 0.00 174.94 173.92 3gpd s THR 181 N -1.80 2.27 0.13 4.00 -4.23 -1.26 -4.73 115.64 110.02 3gpd s THR 181 Ca 0.73 -1.45 -0.31 0.00 -1.18 0.00 0.00 61.69 59.48 3gpd s THR 181 Cb -0.24 -2.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.80 3gpd s THR 181 CO 0.29 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.93 3gpd h ALA 182 N 1.00 -0.70 -0.02 3.99 0.00 -1.98 -3.23 119.26 118.32 3gpd h ALA 182 Ca -0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3gpd h ALA 182 Cb 1.27 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 3gpd h ALA 182 CO 0.59 -1.00 -0.08 1.15 0.00 0.00 0.00 179.25 179.92 3gpd h THR 183 N -0.48 1.07 -2.82 0.00 2.02 -2.02 -3.44 112.91 107.25 3gpd h THR 183 Ca 0.07 -0.34 -0.53 0.00 0.77 0.00 0.00 66.41 66.39 3gpd h THR 183 Cb 0.64 1.15 0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3gpd h THR 183 CO -0.48 0.10 0.88 -1.10 0.37 0.00 0.00 175.52 175.29 3gpd s GLN 184 N -4.87 4.23 0.20 6.66 -0.21 -1.22 -5.01 119.66 119.44 3gpd s GLN 184 Ca -0.05 2.30 -0.00 0.00 0.02 0.00 0.00 55.36 57.63 3gpd s GLN 184 Cb 0.16 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 3gpd s GLN 184 CO 0.69 -0.61 0.38 0.15 -2.12 0.00 0.00 175.29 173.77 3gpd s LYS 185 N 1.54 3.50 -0.01 2.91 -0.14 -1.26 -4.86 119.74 121.42 3gpd s LYS 185 Ca 0.70 -0.39 -0.22 0.00 -1.36 0.00 0.00 55.97 54.70 3gpd s LYS 185 Cb -0.41 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 3gpd s LYS 185 CO 0.31 0.42 0.63 0.95 -0.76 0.00 0.00 175.35 176.90 3gpd s THR 186 N -1.86 4.92 0.00 2.17 -4.23 -1.26 -3.11 115.64 112.28 3gpd s THR 186 Ca 0.38 1.33 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 3gpd s THR 186 Cb -0.11 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3gpd s THR 186 CO 0.29 0.37 0.00 1.33 -0.54 0.00 0.00 174.62 176.07 3gpd n VAL 187 N 2.99 0.00 -4.29 2.29 0.24 -1.21 -4.84 118.33 113.52 3gpd n VAL 187 Ca -0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3gpd n VAL 187 Cb 0.51 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.78 3gpd n VAL 187 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3gpd s ASP 188 N -4.00 1.77 0.00 -1.34 -0.00 -1.26 -2.83 116.67 109.01 3gpd s ASP 188 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 52.55 51.43 3gpd s ASP 188 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 42.92 42.93 3gpd s ASP 188 CO 0.00 -0.43 0.00 -1.54 -0.00 0.00 0.00 175.17 173.20 3gpd n SER 189 N -0.30 0.00 0.00 0.27 3.41 -1.24 -5.01 113.62 110.75 3gpd n SER 189 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3gpd n SER 189 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3gpd n SER 189 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3gpd n PRO 190 N -0.42 0.00 0.00 4.33 -0.05 -1.26 -4.66 135.00 132.93 3gpd n PRO 190 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3gpd n PRO 190 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3gpd n PRO 190 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3gpd n SER 191 N 0.00 0.00 0.00 3.54 3.41 -1.26 -4.27 113.62 115.04 3gpd n SER 191 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gpd n SER 191 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gpd n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpd n GLY 192 N 0.00 0.38 3.51 5.00 0.00 -1.26 -5.08 105.19 107.75 3gpd n GLY 192 Ca 0.00 -1.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 3gpd n GLY 192 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gpd n LYS 193 N 0.00 1.22 -0.27 1.61 -0.00 -1.26 -0.27 118.16 119.19 3gpd n LYS 193 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 3gpd n LYS 193 Cb 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 35.03 32.23 3gpd n LYS 193 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3gpd n LEU 194 N 11.64 0.00 0.00 -5.58 7.94 -1.26 -4.81 117.00 124.93 3gpd n LEU 194 Ca 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 3gpd n LEU 194 Cb 0.34 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3gpd n LEU 194 CO 0.74 0.00 0.00 1.87 -1.11 0.00 0.00 177.39 178.89 3gpd n TRP 195 N -2.23 0.00 -2.65 1.96 -0.00 0.62 -4.38 117.44 110.76 3gpd n TRP 195 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.31 3gpd n TRP 195 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3gpd n TRP 195 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3gpd n ARG 196 N 0.00 -2.74 0.00 5.87 5.12 -1.26 -3.32 116.66 120.33 3gpd n ARG 196 Ca 0.00 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 3gpd n ARG 196 Cb 0.00 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 25.80 3gpd n ARG 196 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gpd n GLY 197 N -1.08 0.00 1.06 -0.13 0.00 -1.26 -4.43 105.19 99.35 3gpd n GLY 197 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3gpd n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpd n GLY 198 N 0.05 0.00 2.21 -0.02 0.00 -1.21 -4.76 105.19 101.46 3gpd n GLY 198 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3gpd n GLY 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gpd n ARG 199 N -0.35 0.84 0.00 1.61 0.63 -1.26 -3.67 116.66 114.46 3gpd n ARG 199 Ca 0.00 -3.24 0.00 0.00 -0.92 0.00 0.00 57.85 53.69 3gpd n ARG 199 Cb 0.00 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.46 3gpd n ARG 199 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gpd n GLY 200 N 0.85 1.59 0.00 5.14 0.00 -1.13 -4.80 105.19 106.84 3gpd n GLY 200 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3gpd n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 201 N -3.00 0.00 0.07 4.61 0.00 -1.18 -3.30 120.51 117.71 3gpd n ALA 201 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3gpd n ALA 201 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3gpd n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpd h ALA 202 N 0.00 0.24 0.00 0.00 0.00 -1.92 -3.31 119.26 114.28 3gpd h ALA 202 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 54.91 53.77 3gpd h ALA 202 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gpd h ALA 202 CO 0.00 1.10 -0.31 -0.56 0.00 0.00 0.00 179.25 179.49 3gpd h GLN 203 N 0.07 0.00 -6.08 0.00 3.07 -1.96 -3.45 115.11 106.76 3gpd h GLN 203 Ca -0.24 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 57.91 3gpd h GLN 203 Cb 2.02 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 29.47 3gpd h GLN 203 CO 0.17 0.94 -0.66 -0.80 0.09 0.00 0.00 178.83 178.57 3gpd s ASN 204 N -6.34 4.08 -0.77 0.06 0.01 -1.26 -5.07 114.94 105.65 3gpd s ASN 204 Ca -0.20 -0.96 -0.21 0.00 -0.71 0.00 0.00 52.86 50.78 3gpd s ASN 204 Cb -0.01 -0.52 0.10 0.00 0.41 0.00 0.00 41.25 41.23 3gpd s ASN 204 CO 0.63 -0.13 1.02 -0.22 -1.51 0.00 0.00 177.10 176.89 3gpd s LEU 205 N -3.65 4.74 -0.71 0.60 1.98 -1.26 -4.40 118.68 115.98 3gpd s LEU 205 Ca 0.33 -1.48 -0.23 0.00 -2.89 0.00 0.00 54.13 49.86 3gpd s LEU 205 Cb -0.02 -2.40 0.07 0.00 0.66 0.00 0.00 46.19 44.50 3gpd s LEU 205 CO 0.18 -1.25 1.03 -0.63 -1.89 0.00 0.00 176.35 173.79 3gpd s ILE 206 N 3.37 4.29 0.49 6.68 -1.09 -0.80 -4.94 121.20 129.20 3gpd s ILE 206 Ca 0.26 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 58.02 3gpd s ILE 206 Cb -0.12 -4.73 -0.07 0.00 -1.58 0.00 0.00 42.46 35.96 3gpd s ILE 206 CO 0.01 -1.52 1.38 -2.16 -1.23 0.00 0.00 174.94 171.42 3gpd s PRO 207 N 4.13 3.45 0.16 2.79 0.05 -1.26 -0.42 135.00 143.89 3gpd s PRO 207 Ca 0.25 2.31 -0.19 0.00 0.05 0.00 0.00 61.00 63.42 3gpd s PRO 207 Cb -0.14 -2.47 0.04 0.00 0.05 0.00 0.00 34.50 31.98 3gpd s PRO 207 CO 0.08 -0.97 0.50 0.00 0.05 0.00 0.00 177.00 176.66 3gpd s ALA 208 N -1.26 -1.15 0.18 8.56 0.00 2.74 -4.85 121.76 125.97 3gpd s ALA 208 Ca 0.66 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.73 3gpd s ALA 208 Cb -0.42 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3gpd s ALA 208 CO 0.51 -0.73 0.23 0.45 0.00 0.00 0.00 175.76 176.23 3gpd s SER 209 N -2.81 5.97 0.17 0.00 0.15 -1.26 0.36 113.70 116.28 3gpd s SER 209 Ca 0.04 0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.47 3gpd s SER 209 Cb 0.00 -1.69 0.06 0.00 -1.71 0.00 0.00 66.02 62.68 3gpd s SER 209 CO -0.10 0.03 0.66 0.28 1.20 0.00 0.00 173.24 175.32 3gpd s THR 210 N -1.81 0.00 -0.69 6.45 -1.32 -1.26 -4.75 115.64 112.26 3gpd s THR 210 Ca 0.33 -0.20 0.04 0.00 -1.21 0.00 0.00 61.69 60.65 3gpd s THR 210 Cb -0.10 -1.21 0.30 0.00 -1.51 0.00 0.00 72.50 69.99 3gpd s THR 210 CO 0.26 0.00 1.02 0.61 -2.21 0.00 0.00 174.62 174.30 3gpd n GLY 211 N -0.38 5.37 0.38 6.08 0.00 -1.26 -4.36 105.19 111.02 3gpd n GLY 211 Ca -0.14 -2.75 0.14 0.00 0.00 0.00 0.00 46.02 43.27 3gpd n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd h ALA 212 N 3.72 1.90 -0.17 4.61 0.00 -1.88 -3.07 119.26 124.37 3gpd h ALA 212 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gpd h ALA 212 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gpd h ALA 212 CO 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.97 3gpd n ALA 213 N -2.44 -0.12 -0.08 0.00 0.00 -1.26 -1.37 120.51 115.25 3gpd n ALA 213 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 3gpd n ALA 213 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3gpd n ALA 213 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gpd n LYS 214 N -1.92 -0.09 0.33 0.00 3.00 -1.24 0.24 118.16 118.49 3gpd n LYS 214 Ca 0.00 0.42 -0.17 0.00 -0.00 0.00 0.00 58.31 58.55 3gpd n LYS 214 Cb 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 35.03 34.32 3gpd n LYS 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gpd h ALA 215 N -0.02 -0.89 -0.66 3.14 0.00 -1.69 -0.49 119.26 118.64 3gpd h ALA 215 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3gpd h ALA 215 Cb 0.08 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3gpd h ALA 215 CO -0.19 -1.01 0.41 0.28 0.00 0.00 0.00 179.25 178.74 3gpd h VAL 216 N -0.88 1.09 -0.13 0.00 2.07 0.65 -2.65 116.25 116.39 3gpd h VAL 216 Ca -0.07 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3gpd h VAL 216 Cb 0.71 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3gpd h VAL 216 CO 0.09 0.15 0.04 1.23 0.02 0.00 0.00 177.57 179.10 3gpd h GLY 217 N 0.81 0.22 -0.00 2.17 0.00 0.33 0.32 103.07 106.91 3gpd h GLY 217 Ca 0.27 -0.13 0.23 0.00 0.00 0.00 0.00 47.33 47.70 3gpd h GLY 217 CO -0.11 0.12 0.63 0.50 0.00 0.00 0.00 176.54 177.68 3gpd h LYS 218 N 0.03 0.51 0.00 4.80 1.79 -0.84 0.33 116.57 123.20 3gpd h LYS 218 Ca 0.04 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3gpd h LYS 218 Cb 0.22 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3gpd h LYS 218 CO -0.00 0.34 -0.21 0.28 -1.08 0.00 0.00 179.45 178.77 3gpd h VAL 219 N 0.53 0.76 -3.63 0.50 2.07 -1.32 -3.40 116.25 111.77 3gpd h VAL 219 Ca 0.58 -1.63 -0.69 0.00 0.82 0.00 0.00 66.70 65.78 3gpd h VAL 219 Cb 1.25 1.50 -0.34 0.00 -1.52 0.00 0.00 31.29 32.18 3gpd h VAL 219 CO -0.33 0.26 -0.63 -0.51 0.02 0.00 0.00 177.57 176.38 3gpd s ILE 220 N -1.98 3.12 0.00 4.57 2.07 0.11 -4.84 121.20 124.25 3gpd s ILE 220 Ca -0.12 -1.75 0.00 0.00 -1.41 0.00 0.00 60.65 57.37 3gpd s ILE 220 Cb -0.00 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.60 3gpd s ILE 220 CO 0.35 -0.42 0.00 -2.65 -1.91 0.00 0.00 174.94 170.31 3gpd n PRO 221 N 4.59 0.00 0.00 3.50 -0.01 0.11 -3.37 135.00 139.82 3gpd n PRO 221 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.42 3gpd n PRO 221 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.91 3gpd n PRO 221 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3gpd n GLU 222 N 0.00 0.00 -0.63 -0.52 1.02 -1.26 -3.34 120.64 115.91 3gpd n GLU 222 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gpd n GLU 222 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3gpd n GLU 222 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gpd n LEU 223 N 0.00 0.00 0.00 -4.62 4.32 -1.22 -4.68 117.00 110.81 3gpd n LEU 223 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3gpd n LEU 223 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 3gpd n LEU 223 CO 0.00 -1.70 0.00 -0.67 -1.22 0.00 0.00 177.39 173.80 3gpd n ASP 224 N 2.51 0.00 0.00 -1.43 -0.08 -1.21 -4.60 116.55 111.74 3gpd n ASP 224 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3gpd n ASP 224 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3gpd n ASP 224 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gpd n GLY 225 N 0.00 1.25 0.99 0.27 0.00 -1.26 -4.95 105.19 101.49 3gpd n GLY 225 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3gpd n GLY 225 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gpd n LYS 226 N 0.00 2.49 -3.71 1.61 3.00 -1.26 -4.89 118.16 115.40 3gpd n LYS 226 Ca 0.00 -1.40 -0.14 0.00 -0.00 0.00 0.00 58.31 56.78 3gpd n LYS 226 Cb 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 35.03 33.27 3gpd n LYS 226 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3gpd s LEU 227 N -1.19 0.32 0.28 3.14 1.98 -1.25 -2.77 118.68 119.19 3gpd s LEU 227 Ca 0.25 0.73 -0.17 0.00 -2.89 0.00 0.00 54.13 52.05 3gpd s LEU 227 Cb 0.17 1.57 0.01 0.00 0.66 0.00 0.00 46.19 48.60 3gpd s LEU 227 CO 0.10 -0.25 0.63 0.28 -1.89 0.00 0.00 176.35 175.23 3gpd s THR 228 N -0.17 0.00 0.31 3.68 -1.32 -1.24 -4.22 115.64 112.68 3gpd s THR 228 Ca -0.03 -1.16 -0.18 0.00 -1.21 0.00 0.00 61.69 59.10 3gpd s THR 228 Cb -0.03 -2.18 0.03 0.00 -1.51 0.00 0.00 72.50 68.81 3gpd s THR 228 CO 0.02 0.00 0.72 -0.83 -2.21 0.00 0.00 174.62 172.32 3gpd s GLY 229 N -2.98 0.14 0.20 6.08 0.00 -1.26 -3.32 107.32 106.18 3gpd s GLY 229 Ca 0.16 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 44.16 3gpd s GLY 229 CO 0.09 -0.22 0.59 -0.29 0.00 0.00 0.00 173.10 173.26 3gpd s MET 230 N -3.37 1.41 0.10 2.90 -2.45 -1.24 -4.09 119.30 112.55 3gpd s MET 230 Ca 0.14 -0.73 -0.10 0.00 -1.25 0.00 0.00 55.69 53.75 3gpd s MET 230 Cb -0.05 0.56 0.00 0.00 1.25 0.00 0.00 34.83 36.59 3gpd s MET 230 CO 0.09 -0.62 0.22 0.00 1.05 0.00 0.00 175.02 175.76 3gpd s ALA 231 N -3.83 -0.30 -0.21 4.11 0.00 1.14 -2.99 121.76 119.68 3gpd s ALA 231 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3gpd s ALA 231 Cb -0.02 0.53 0.06 0.00 0.00 0.00 0.00 23.12 23.69 3gpd s ALA 231 CO -0.05 -0.53 -0.02 -0.06 0.00 0.00 0.00 175.76 175.09 3gpd s PHE 232 N -3.86 1.77 -0.15 0.00 0.08 -0.87 0.63 117.98 115.58 3gpd s PHE 232 Ca 0.05 -1.30 -0.24 0.00 0.12 0.00 0.00 56.93 55.56 3gpd s PHE 232 Cb 0.04 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3gpd s PHE 232 CO -0.11 -0.68 0.77 1.03 -0.10 0.00 0.00 175.22 176.13 3gpd s ARG 233 N 1.61 4.32 0.40 0.44 0.52 0.43 -3.48 118.95 123.20 3gpd s ARG 233 Ca -0.03 0.93 0.08 0.00 -0.52 0.00 0.00 55.73 56.18 3gpd s ARG 233 Cb -0.18 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3gpd s ARG 233 CO -0.07 -0.21 0.33 0.14 0.02 0.00 0.00 175.30 175.50 3gpd s VAL 234 N 1.77 2.76 0.61 3.52 -7.23 -0.92 -1.91 120.40 119.00 3gpd s VAL 234 Ca 0.37 -1.41 0.30 0.00 -1.81 0.00 0.00 61.98 59.43 3gpd s VAL 234 Cb -0.17 -3.02 0.36 0.00 0.56 0.00 0.00 36.38 34.11 3gpd s VAL 234 CO 0.14 -0.04 2.04 1.55 -0.31 0.00 0.00 175.10 178.48 3gpd h PRO 235 N 1.14 0.00 -6.09 4.82 0.14 -1.77 -3.29 132.00 126.95 3gpd h PRO 235 Ca -0.42 0.00 -0.79 0.00 0.14 0.00 0.00 66.00 64.93 3gpd h PRO 235 Cb 1.26 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.42 3gpd h PRO 235 CO 0.59 0.00 0.80 2.41 0.14 0.00 0.00 178.00 181.95 3gpd n THR 236 N -3.51 0.18 0.18 1.56 -1.04 -1.26 -4.48 114.28 105.91 3gpd n THR 236 Ca 0.02 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 3gpd n THR 236 Cb 0.39 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 3gpd n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gpd h ALA 237 N 6.29 -0.79 -3.67 2.41 0.00 -1.86 0.97 119.26 122.61 3gpd h ALA 237 Ca -0.46 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 53.68 3gpd h ALA 237 Cb 1.34 0.18 -0.24 0.00 0.00 0.00 0.00 17.79 19.07 3gpd h ALA 237 CO 0.96 -0.76 -0.76 1.21 0.00 0.00 0.00 179.25 179.91 3gpd s ASN 238 N -3.47 4.12 0.00 0.00 2.47 -1.26 -3.25 114.94 113.55 3gpd s ASN 238 Ca -0.07 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 52.98 3gpd s ASN 238 Cb 0.01 -1.24 0.00 0.00 -1.45 0.00 0.00 41.25 38.57 3gpd s ASN 238 CO 0.21 0.27 0.00 0.52 -3.72 0.00 0.00 177.10 174.37 3gpd n VAL 239 N 2.85 0.00 -3.48 -5.21 0.31 -1.26 -4.88 118.33 106.66 3gpd n VAL 239 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 3gpd n VAL 239 Cb 0.52 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 3gpd n VAL 239 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gpd s SER 240 N -0.76 -0.47 0.09 4.52 0.01 -1.26 -2.84 113.70 112.98 3gpd s SER 240 Ca 0.00 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.21 3gpd s SER 240 Cb 0.00 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 3gpd s SER 240 CO 0.00 -0.94 -0.13 0.54 0.41 0.00 0.00 173.24 173.12 3gpd s VAL 241 N -3.77 1.14 -0.08 3.43 0.11 -0.49 0.16 120.40 120.91 3gpd s VAL 241 Ca 0.02 -1.49 0.03 0.00 -2.93 0.00 0.00 61.98 57.61 3gpd s VAL 241 Cb -0.00 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3gpd s VAL 241 CO -0.12 -0.34 -0.16 -0.22 -3.33 0.00 0.00 175.10 170.92 3gpd s LEU 242 N -2.08 2.59 -0.22 2.54 2.96 -1.19 -2.27 118.68 121.00 3gpd s LEU 242 Ca 0.03 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 3gpd s LEU 242 Cb -0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3gpd s LEU 242 CO 0.02 0.26 0.04 -0.62 -1.32 0.00 0.00 176.35 174.73 3gpd s ASP 243 N -0.20 5.08 -0.06 3.68 -1.08 -0.30 -2.46 116.67 121.33 3gpd s ASP 243 Ca -0.00 -0.17 0.06 0.00 -0.52 0.00 0.00 52.55 51.91 3gpd s ASP 243 Cb -0.13 -1.89 -0.01 0.00 -1.46 0.00 0.00 42.92 39.43 3gpd s ASP 243 CO 0.03 0.03 -0.24 -0.22 0.52 0.00 0.00 175.17 175.29 3gpd s LEU 244 N 1.24 2.05 -0.03 -1.34 0.20 0.45 -3.10 118.68 118.15 3gpd s LEU 244 Ca 0.04 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.43 3gpd s LEU 244 Cb -0.15 -1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 44.26 3gpd s LEU 244 CO 0.03 0.23 -0.25 0.42 -0.29 0.00 0.00 176.35 176.49 3gpd s THR 245 N -0.10 1.97 0.04 3.68 -4.23 -0.94 0.27 115.64 116.33 3gpd s THR 245 Ca -0.05 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 3gpd s THR 245 Cb -0.14 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 3gpd s THR 245 CO 0.04 0.55 0.05 0.00 -0.54 0.00 0.00 174.62 174.72 3gpd s ARG 247 N -2.91 2.87 0.05 0.00 1.81 -1.00 -0.75 118.95 119.03 3gpd s ARG 247 Ca -0.02 -0.81 0.03 0.00 -1.72 0.00 0.00 55.73 53.21 3gpd s ARG 247 Cb 0.01 -2.26 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 3gpd s ARG 247 CO -0.06 0.06 -0.09 -0.48 -0.68 0.00 0.00 175.30 174.05 3gpd s LEU 248 N 0.64 2.28 0.06 2.53 0.05 0.78 -2.44 118.68 122.57 3gpd s LEU 248 Ca -0.12 -0.59 -0.25 0.00 0.05 0.00 0.00 54.13 53.21 3gpd s LEU 248 Cb -0.16 -0.25 -0.13 0.00 -2.05 0.00 0.00 46.19 43.60 3gpd s LEU 248 CO 0.03 -0.19 1.39 -0.08 -0.55 0.00 0.00 176.35 176.95 3gpd h GLU 249 N 4.35 -0.73 -6.57 1.48 4.81 -1.77 -3.41 114.58 112.74 3gpd h GLU 249 Ca -0.37 0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.39 3gpd h GLU 249 Cb 1.20 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3gpd h GLU 249 CO 0.42 -0.49 0.07 0.21 -0.73 0.00 0.00 179.01 178.50 3gpd s LYS 250 N -5.01 4.14 0.38 1.92 2.20 -0.19 -4.94 119.74 118.24 3gpd s LYS 250 Ca -0.13 0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 55.97 3gpd s LYS 250 Cb 0.03 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 3gpd s LYS 250 CO 0.42 0.34 1.26 -1.25 -0.36 0.00 0.00 175.35 175.77 3gpd s PRO 251 N -2.26 4.10 0.34 4.03 0.04 -1.26 -4.72 135.00 135.27 3gpd s PRO 251 Ca 0.45 2.08 0.10 0.00 0.04 0.00 0.00 61.00 63.67 3gpd s PRO 251 Cb -0.15 -2.83 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 3gpd s PRO 251 CO 0.20 -0.36 -0.09 0.00 0.04 0.00 0.00 177.00 176.79 3gpd s ALA 252 N -1.26 2.97 0.15 8.56 0.00 -0.46 -5.04 121.76 126.68 3gpd s ALA 252 Ca 0.55 -2.05 0.10 0.00 0.00 0.00 0.00 51.96 50.55 3gpd s ALA 252 Cb -0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3gpd s ALA 252 CO 0.47 0.10 -0.23 0.15 0.00 0.00 0.00 175.76 176.25 3gpd s LYS 253 N -3.61 1.35 0.10 0.00 1.02 -1.26 -3.97 119.74 113.37 3gpd s LYS 253 Ca 0.33 -1.37 -0.16 0.00 0.02 0.00 0.00 55.97 54.79 3gpd s LYS 253 Cb 0.01 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 3gpd s LYS 253 CO 0.17 0.38 1.51 -0.92 -0.92 0.00 0.00 175.35 175.56 3gpd h TYR 254 N 3.63 0.71 -0.94 3.18 3.20 -1.96 -1.75 116.97 123.03 3gpd h TYR 254 Ca -0.47 -0.15 0.28 0.00 3.14 0.00 0.00 58.73 61.53 3gpd h TYR 254 Cb 1.19 -0.17 -0.15 0.00 1.54 0.00 0.00 36.73 39.13 3gpd h TYR 254 CO 0.64 0.80 0.33 -0.44 -1.64 0.00 0.00 178.16 177.86 3gpd h ASP 255 N 0.41 0.11 -0.03 -2.11 5.19 -2.01 -2.91 116.42 115.07 3gpd h ASP 255 Ca 0.08 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 3gpd h ASP 255 Cb 0.57 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3gpd h ASP 255 CO 0.03 -0.21 -0.06 0.44 -3.12 0.00 0.00 179.24 176.32 3gpd h ASP 256 N 0.19 0.10 0.12 6.45 3.45 -1.74 -2.91 116.42 122.09 3gpd h ASP 256 Ca 0.64 -0.57 0.02 0.00 0.43 0.00 0.00 57.03 57.55 3gpd h ASP 256 Cb 1.41 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 40.10 3gpd h ASP 256 CO -0.69 0.66 -0.43 -0.29 -1.57 0.00 0.00 179.24 176.91 3gpd h ILE 257 N -0.44 0.13 -0.76 0.35 6.09 -1.24 -0.46 117.51 121.17 3gpd h ILE 257 Ca 0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 3gpd h ILE 257 Cb 0.64 0.13 -0.10 0.00 0.47 0.00 0.00 36.82 37.96 3gpd h ILE 257 CO 0.01 0.00 -0.55 0.07 -3.07 0.00 0.00 178.15 174.61 3gpd h LYS 258 N -0.67 -0.13 -0.07 2.19 2.10 -1.59 0.82 116.57 119.22 3gpd h LYS 258 Ca 0.02 0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 3gpd h LYS 258 Cb 0.69 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 3gpd h LYS 258 CO -0.25 -0.08 -0.27 1.57 -2.00 0.00 0.00 179.45 178.42 3gpd h LYS 259 N -0.13 0.12 0.67 0.07 2.10 -1.39 0.47 116.57 118.49 3gpd h LYS 259 Ca 0.12 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 3gpd h LYS 259 Cb 0.45 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 3gpd h LYS 259 CO -0.79 0.39 -0.48 -0.24 -2.00 0.00 0.00 179.45 176.33 3gpd h VAL 260 N 0.11 0.04 -0.04 0.07 3.04 0.84 0.79 116.25 121.10 3gpd h VAL 260 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 3gpd h VAL 260 Cb 0.54 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 3gpd h VAL 260 CO 0.04 0.00 0.01 1.62 -1.01 0.00 0.00 177.57 178.23 3gpd h VAL 261 N -1.11 0.99 0.00 1.51 3.04 -1.06 0.62 116.25 120.23 3gpd h VAL 261 Ca -0.09 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3gpd h VAL 261 Cb 0.91 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3gpd h VAL 261 CO 0.04 0.01 0.00 1.17 -1.01 0.00 0.00 177.57 177.78 3gpd n LYS 262 N -5.09 0.00 -0.15 4.17 4.81 0.16 0.33 118.16 122.40 3gpd n LYS 262 Ca -0.06 0.63 -0.03 0.00 -0.87 0.00 0.00 58.31 57.98 3gpd n LYS 262 Cb 0.04 -1.14 0.03 0.00 0.02 0.00 0.00 35.03 33.98 3gpd n LYS 262 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3gpd h GLU 263 N 0.00 0.01 -0.04 1.64 4.81 0.69 0.30 114.58 121.99 3gpd h GLU 263 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gpd h GLU 263 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gpd h GLU 263 CO 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 179.01 178.31 3gpd h ALA 264 N 1.48 0.04 -0.83 2.92 0.00 0.94 -0.78 119.26 123.02 3gpd h ALA 264 Ca 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3gpd h ALA 264 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3gpd h ALA 264 CO -0.49 -0.44 0.54 1.03 0.00 0.00 0.00 179.25 179.89 3gpd h SER 265 N 0.02 0.74 -0.08 0.00 0.87 0.59 -2.50 113.55 113.18 3gpd h SER 265 Ca 0.01 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3gpd h SER 265 Cb 0.03 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 3gpd h SER 265 CO -0.00 0.45 -0.48 -0.08 -0.53 0.00 0.00 176.83 176.18 3gpd h GLU 266 N 0.82 -0.53 0.00 2.24 4.81 0.11 -2.83 114.58 119.20 3gpd h GLU 266 Ca 0.38 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3gpd h GLU 266 Cb 0.38 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3gpd h GLU 266 CO -0.15 -0.35 0.00 0.41 -0.73 0.00 0.00 179.01 178.19 3gpd n GLY 267 N -1.39 0.64 0.38 1.92 0.00 -0.95 -4.48 105.19 101.31 3gpd n GLY 267 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3gpd n GLY 267 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gpd h PRO 268 N 0.00 -0.89 -0.24 1.61 0.14 -1.77 -3.33 132.00 127.52 3gpd h PRO 268 Ca 0.00 0.06 -0.00 0.00 0.14 0.00 0.00 66.00 66.20 3gpd h PRO 268 Cb 0.00 0.20 -0.01 0.00 0.14 0.00 0.00 31.00 31.33 3gpd h PRO 268 CO 0.00 -0.60 0.14 -0.07 0.14 0.00 0.00 178.00 177.62 3gpd h LEU 269 N -1.20 0.29 0.00 1.56 -0.00 -1.77 -3.43 115.31 110.76 3gpd h LEU 269 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3gpd h LEU 269 Cb 0.71 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3gpd h LEU 269 CO 0.16 0.25 0.00 1.17 -0.00 0.00 0.00 178.44 180.02 3gpd n LYS 270 N -4.89 0.00 -0.35 1.13 3.00 -1.07 -3.39 118.16 112.59 3gpd n LYS 270 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.41 3gpd n LYS 270 Cb 0.05 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.40 3gpd n LYS 270 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3gpd h GLY 271 N 0.00 1.72 -5.05 3.14 0.00 -1.90 -3.41 103.07 97.57 3gpd h GLY 271 Ca 0.00 -0.36 -0.63 0.00 0.00 0.00 0.00 47.33 46.34 3gpd h GLY 271 CO 0.00 -0.03 -0.86 -0.26 0.00 0.00 0.00 176.54 175.39 3gpd s ILE 272 N -5.85 1.74 0.00 2.60 -0.00 -1.22 -3.39 121.20 115.08 3gpd s ILE 272 Ca -0.11 -0.90 0.00 0.00 -0.00 0.00 0.00 60.65 59.64 3gpd s ILE 272 Cb 0.24 -1.48 0.00 0.00 -0.00 0.00 0.00 42.46 41.23 3gpd s ILE 272 CO 0.80 0.49 0.00 0.18 -0.00 0.00 0.00 174.94 176.41 3gpd n LEU 273 N 2.95 0.00 0.00 0.37 4.77 1.39 -4.84 117.00 121.65 3gpd n LEU 273 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3gpd n LEU 273 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3gpd n LEU 273 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3gpd n GLY 274 N 0.00 0.68 1.34 -0.72 0.00 -1.25 -2.65 105.19 102.58 3gpd n GLY 274 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gpd n GLY 274 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gpd n TYR 275 N 0.00 0.00 -3.31 1.61 -0.00 0.15 -4.87 117.16 110.74 3gpd n TYR 275 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.90 57.44 3gpd n TYR 275 Cb 0.00 -1.34 -0.04 0.00 -0.00 0.00 0.00 39.34 37.95 3gpd n TYR 275 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3gpd s THR 276 N -0.02 5.31 0.51 2.97 -1.32 -1.10 -4.85 115.64 117.14 3gpd s THR 276 Ca 0.00 -1.74 0.41 0.00 -1.21 0.00 0.00 61.69 59.16 3gpd s THR 276 Cb 0.00 -4.38 0.43 0.00 -1.51 0.00 0.00 72.50 67.04 3gpd s THR 276 CO 0.00 -0.92 2.27 -0.33 -2.21 0.00 0.00 174.62 173.43 3gpd h GLU 277 N 8.61 0.00 0.00 7.08 5.08 -1.92 -3.05 114.58 130.39 3gpd h GLU 277 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3gpd h GLU 277 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3gpd h GLU 277 CO 0.97 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.73 3gpd n ASP 278 N -3.11 0.00 0.00 1.42 10.43 -1.26 -4.80 116.55 119.23 3gpd n ASP 278 Ca -0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.34 3gpd n ASP 278 Cb 0.14 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.10 3gpd n ASP 278 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3gpd n GLU 279 N 0.00 0.00 0.00 -1.24 2.13 -1.26 -4.99 120.64 115.27 3gpd n GLU 279 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3gpd n GLU 279 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3gpd n GLU 279 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3gpd n VAL 280 N 0.00 0.00 -1.11 6.31 0.24 -1.26 -4.90 118.33 117.61 3gpd n VAL 280 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 3gpd n VAL 280 Cb 0.00 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 32.55 3gpd n VAL 280 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3gpd n VAL 281 N 0.60 2.05 0.00 3.34 0.24 -1.26 -5.03 118.33 118.28 3gpd n VAL 281 Ca 0.00 -2.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 3gpd n VAL 281 Cb 0.00 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3gpd n VAL 281 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3gpd n SER 282 N -1.15 0.00 0.00 -1.34 7.64 -1.26 -1.69 113.62 115.81 3gpd n SER 282 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3gpd n SER 282 Cb 0.73 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 3gpd n SER 282 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3gpd n ASP 283 N 1.28 0.25 0.00 6.43 4.64 -1.26 -5.03 116.55 122.86 3gpd n ASP 283 Ca 0.00 -0.01 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 3gpd n ASP 283 Cb 0.00 0.06 0.00 0.00 -1.04 0.00 0.00 41.12 40.14 3gpd n ASP 283 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3gpd n ASP 284 N -0.09 0.00 0.00 1.67 10.43 -0.68 -4.19 116.55 123.68 3gpd n ASP 284 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3gpd n ASP 284 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3gpd n ASP 284 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gpd n PHE 285 N 0.00 0.00 -2.81 1.24 0.99 -1.26 -4.80 117.46 110.81 3gpd n PHE 285 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 3gpd n PHE 285 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3gpd n PHE 285 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3gpd n ASN 286 N 0.64 -7.14 -3.15 4.37 4.05 -1.26 -3.85 115.26 108.92 3gpd n ASN 286 Ca 0.00 0.10 -0.09 0.00 0.45 0.00 0.00 54.58 55.04 3gpd n ASN 286 Cb 0.00 -4.81 0.01 0.00 1.23 0.00 0.00 39.78 36.20 3gpd n ASN 286 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gpd n GLY 287 N -1.27 -1.16 0.15 8.20 0.00 -1.26 -4.91 105.19 104.93 3gpd n GLY 287 Ca 0.03 0.75 0.06 0.00 0.00 0.00 0.00 46.02 46.86 3gpd n GLY 287 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gpd h SER 288 N 0.87 0.00 -1.14 1.61 0.87 -1.93 -3.48 113.55 110.36 3gpd h SER 288 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3gpd h SER 288 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3gpd h SER 288 CO 0.28 0.31 0.00 0.59 -0.53 0.00 0.00 176.83 177.48 3gpd n ASN 289 N -3.06 -1.05 -3.63 6.23 4.13 -1.26 -5.09 115.26 111.54 3gpd n ASN 289 Ca 0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 3gpd n ASN 289 Cb 0.67 -0.26 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 3gpd n ASN 289 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3gpd s HIS 290 N -2.13 -0.22 0.00 3.10 3.76 -1.26 -5.11 115.29 113.43 3gpd s HIS 290 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3gpd s HIS 290 Cb 0.00 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.98 3gpd s HIS 290 CO 0.00 -0.73 0.00 0.45 -0.85 0.00 0.00 174.74 173.61 3gpd n SER 291 N -0.25 0.00 -4.74 1.40 2.88 -1.22 -4.26 113.62 107.43 3gpd n SER 291 Ca -0.15 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.01 3gpd n SER 291 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 3gpd n SER 291 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3gpd s SER 292 N -0.71 6.71 -0.04 -3.46 0.15 -1.26 -4.45 113.70 110.63 3gpd s SER 292 Ca 0.00 0.84 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 3gpd s SER 292 Cb 0.00 -2.28 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3gpd s SER 292 CO 0.00 0.07 0.03 -0.51 1.20 0.00 0.00 173.24 174.03 3gpd s ILE 293 N 0.26 0.06 0.27 6.45 1.10 -1.09 0.42 121.20 128.67 3gpd s ILE 293 Ca 0.25 0.25 0.08 0.00 -0.51 0.00 0.00 60.65 60.73 3gpd s ILE 293 Cb -0.15 -0.24 -0.04 0.00 0.15 0.00 0.00 42.46 42.18 3gpd s ILE 293 CO 0.11 0.17 0.10 0.12 -2.11 0.00 0.00 174.94 173.33 3gpd s PHE 294 N 1.65 2.88 0.07 3.50 5.36 -1.25 0.20 117.98 130.39 3gpd s PHE 294 Ca -0.01 -0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 55.65 3gpd s PHE 294 Cb -0.13 -1.33 0.01 0.00 -0.34 0.00 0.00 43.02 41.23 3gpd s PHE 294 CO -0.03 0.54 0.26 0.16 -1.46 0.00 0.00 175.22 174.69 3gpd s ASP 295 N -3.77 -0.03 0.84 6.13 -4.77 -1.24 0.32 116.67 114.14 3gpd s ASP 295 Ca 0.33 -0.41 -0.11 0.00 -3.30 0.00 0.00 52.55 49.06 3gpd s ASP 295 Cb -0.07 0.36 0.13 0.00 -1.09 0.00 0.00 42.92 42.26 3gpd s ASP 295 CO 0.22 -0.69 1.17 0.00 0.70 0.00 0.00 175.17 176.58 3gpd s ALA 296 N -3.25 2.75 0.00 2.11 0.00 -1.15 -4.73 121.76 117.49 3gpd s ALA 296 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3gpd s ALA 296 Cb 0.02 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3gpd s ALA 296 CO -0.08 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.21 3gpd n GLY 297 N -3.34 1.63 0.24 0.00 0.00 -1.26 -4.77 105.19 97.69 3gpd n GLY 297 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3gpd n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpd n ALA 298 N 2.49 0.00 -2.12 4.61 0.00 -1.26 -2.63 120.51 121.59 3gpd n ALA 298 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3gpd n ALA 298 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3gpd n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpd n GLY 299 N 0.00 5.69 3.79 0.00 0.00 -1.26 -5.01 105.19 108.41 3gpd n GLY 299 Ca 0.00 -2.58 -0.38 0.00 0.00 0.00 0.00 46.02 43.06 3gpd n GLY 299 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gpd s ILE 300 N -5.24 5.09 -0.14 -0.61 -5.25 -1.08 -4.55 121.20 109.42 3gpd s ILE 300 Ca 0.51 0.86 -0.16 0.00 -0.99 0.00 0.00 60.65 60.86 3gpd s ILE 300 Cb 0.42 -3.75 0.04 0.00 2.95 0.00 0.00 42.46 42.13 3gpd s ILE 300 CO -0.34 0.48 0.44 -1.83 -1.79 0.00 0.00 174.94 171.90 3gpd s GLU 301 N -0.37 0.58 0.16 0.37 1.03 -1.26 -5.01 118.70 114.20 3gpd s GLU 301 Ca 0.24 0.49 0.05 0.00 0.03 0.00 0.00 54.97 55.78 3gpd s GLU 301 Cb -0.16 0.28 -0.04 0.00 -0.80 0.00 0.00 34.13 33.40 3gpd s GLU 301 CO 0.12 -0.10 -0.11 -0.48 -1.33 0.00 0.00 175.26 173.36 3gpd s LEU 302 N -0.07 2.53 0.00 1.83 2.34 -1.26 -2.28 118.68 121.76 3gpd s LEU 302 Ca -0.03 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.16 3gpd s LEU 302 Cb -0.03 -0.42 0.00 0.00 -0.56 0.00 0.00 46.19 45.18 3gpd s LEU 302 CO 0.02 -0.29 0.00 -3.20 -1.06 0.00 0.00 176.35 171.82 3gpd n ASN 303 N -0.18 0.00 0.00 1.48 4.05 -1.20 -5.02 115.26 114.38 3gpd n ASN 303 Ca -0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.93 3gpd n ASN 303 Cb 0.60 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.61 3gpd n ASN 303 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3gpd n ASP 304 N 0.00 0.00 0.00 1.20 4.64 -1.25 -2.07 116.55 119.06 3gpd n ASP 304 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3gpd n ASP 304 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3gpd n ASP 304 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3gpd n THR 305 N 0.00 0.00 -2.44 5.18 5.66 -1.26 -1.35 114.28 120.06 3gpd n THR 305 Ca 0.00 0.91 -0.32 0.00 -3.05 0.00 0.00 64.05 61.58 3gpd n THR 305 Cb 0.00 -1.76 -0.04 0.00 -1.55 0.00 0.00 70.33 66.98 3gpd n THR 305 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3gpd s PHE 306 N -1.62 3.39 0.15 1.09 5.36 -0.88 0.27 117.98 125.75 3gpd s PHE 306 Ca 0.00 1.50 -0.24 0.00 -0.96 0.00 0.00 56.93 57.22 3gpd s PHE 306 Cb 0.00 -2.82 0.06 0.00 -0.34 0.00 0.00 43.02 39.92 3gpd s PHE 306 CO 0.00 -0.39 0.75 0.54 -1.46 0.00 0.00 175.22 174.66 3gpd s VAL 307 N -2.53 0.00 0.01 3.12 0.11 0.07 -3.26 120.40 117.92 3gpd s VAL 307 Ca 0.60 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 3gpd s VAL 307 Cb -0.10 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 3gpd s VAL 307 CO 0.28 0.00 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.14 3gpd s LYS 308 N -3.58 1.21 -0.11 1.54 2.20 -0.97 -1.52 119.74 118.51 3gpd s LYS 308 Ca 0.06 -0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 54.91 3gpd s LYS 308 Cb -0.02 -1.21 0.04 0.00 -1.51 0.00 0.00 37.83 35.12 3gpd s LYS 308 CO -0.05 0.32 0.27 -1.17 -0.36 0.00 0.00 175.35 174.36 3gpd s LEU 309 N -0.70 0.69 -0.08 5.43 2.96 0.77 -4.06 118.68 123.69 3gpd s LEU 309 Ca 0.05 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3gpd s LEU 309 Cb -0.07 0.87 0.01 0.00 0.50 0.00 0.00 46.19 47.50 3gpd s LEU 309 CO 0.00 -0.13 -0.16 0.54 -1.32 0.00 0.00 176.35 175.29 3gpd s VAL 310 N 0.66 1.43 0.00 1.68 0.11 -1.26 0.17 120.40 123.19 3gpd s VAL 310 Ca -0.04 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 3gpd s VAL 310 Cb -0.06 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 3gpd s VAL 310 CO -0.04 0.42 0.00 -1.20 -3.33 0.00 0.00 175.10 170.95 3gpd n SER 311 N 3.77 0.90 0.00 3.54 7.64 -1.03 -3.73 113.62 124.71 3gpd n SER 311 Ca -0.21 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.00 3gpd n SER 311 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3gpd n SER 311 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3gpd n TRP 312 N -0.36 0.00 0.00 1.43 7.02 0.54 -3.19 117.44 122.87 3gpd n TRP 312 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3gpd n TRP 312 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3gpd n TRP 312 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3gpd n TYR 313 N 0.00 -0.05 -2.77 -5.99 4.02 0.43 -4.05 117.16 108.73 3gpd n TYR 313 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3gpd n TYR 313 Cb 0.00 0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.37 3gpd n TYR 313 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3gpd n ASP 314 N -1.09 -3.34 0.00 7.72 5.75 -1.24 -4.67 116.55 119.67 3gpd n ASP 314 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 3gpd n ASP 314 Cb 0.00 -1.98 0.00 0.00 -1.03 0.00 0.00 41.12 38.11 3gpd n ASP 314 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3gpd n ASN 315 N 0.11 0.00 0.00 -1.12 0.23 -1.26 -1.73 115.26 111.49 3gpd n ASN 315 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3gpd n ASN 315 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3gpd n ASN 315 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gpd n GLU 316 N 0.00 0.00 0.00 -3.83 -0.58 -1.26 -1.95 120.64 113.02 3gpd n GLU 316 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gpd n GLU 316 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3gpd n GLU 316 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3gpd n PHE 317 N 0.00 0.00 -0.07 -0.32 -0.00 -1.17 -1.93 117.46 113.97 3gpd n PHE 317 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3gpd n PHE 317 Cb 0.00 -0.18 0.01 0.00 -0.00 0.00 0.00 39.48 39.30 3gpd n PHE 317 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gpd n GLY 318 N 0.63 -0.36 0.44 7.13 0.00 -0.70 0.53 105.19 112.86 3gpd n GLY 318 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3gpd n GLY 318 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gpd h TYR 319 N 0.00 -1.45 0.00 1.61 3.20 -1.47 0.40 116.97 119.26 3gpd h TYR 319 Ca 0.06 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3gpd h TYR 319 Cb 0.10 0.63 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3gpd h TYR 319 CO -0.15 -0.53 0.00 0.77 -1.64 0.00 0.00 178.16 176.61 3gpd h SER 320 N -0.63 0.00 0.80 -2.11 0.02 1.41 0.15 113.55 113.19 3gpd h SER 320 Ca 0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 3gpd h SER 320 Cb 0.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3gpd h SER 320 CO -0.33 0.00 -1.30 -0.08 -1.14 0.00 0.00 176.83 173.99 3gpd h GLU 321 N 0.00 0.00 -0.01 3.45 4.57 0.15 -3.27 114.58 119.47 3gpd h GLU 321 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gpd h GLU 321 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3gpd h GLU 321 CO 0.00 0.26 -0.07 0.54 -1.18 0.00 0.00 179.01 178.56 3gpd n ARG 322 N -2.88 1.05 -0.08 1.92 5.12 0.48 -1.68 116.66 120.59 3gpd n ARG 322 Ca -0.08 -0.42 -0.15 0.00 -1.93 0.00 0.00 57.85 55.27 3gpd n ARG 322 Cb 0.79 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 30.48 3gpd n ARG 322 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3gpd h VAL 323 N 1.03 1.49 0.00 1.55 -1.51 -1.54 -2.65 116.25 114.61 3gpd h VAL 323 Ca 0.00 -2.22 -0.05 0.00 -1.23 0.00 0.00 66.70 63.20 3gpd h VAL 323 Cb 0.34 2.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.41 3gpd h VAL 323 CO 0.00 0.50 -0.23 0.58 -1.23 0.00 0.00 177.57 177.20 3gpd h VAL 324 N -1.00 1.12 -0.12 7.19 2.07 -1.60 0.93 116.25 124.85 3gpd h VAL 324 Ca -0.08 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3gpd h VAL 324 Cb 1.01 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 3gpd h VAL 324 CO -0.05 0.22 -0.12 0.44 0.02 0.00 0.00 177.57 178.09 3gpd h ASP 325 N 0.00 -0.37 0.70 0.57 3.45 -1.37 -2.64 116.42 116.77 3gpd h ASP 325 Ca -0.00 0.07 -0.24 0.00 0.43 0.00 0.00 57.03 57.29 3gpd h ASP 325 Cb 0.41 0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3gpd h ASP 325 CO 0.03 -0.16 -1.11 0.17 -1.57 0.00 0.00 179.24 176.61 3gpd h LEU 326 N -0.14 0.29 -1.93 1.55 8.10 -0.92 -2.78 115.31 119.48 3gpd h LEU 326 Ca 0.08 -0.30 0.18 0.00 0.11 0.00 0.00 57.88 57.96 3gpd h LEU 326 Cb 0.26 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.36 3gpd h LEU 326 CO -0.20 1.20 0.47 0.24 -4.11 0.00 0.00 178.44 176.04 3gpd h MET 327 N 0.07 0.07 0.16 0.17 2.86 0.12 0.77 114.93 119.15 3gpd h MET 327 Ca -0.09 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.24 3gpd h MET 327 Cb 1.82 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.48 3gpd h MET 327 CO 0.17 0.04 -1.53 0.00 1.06 0.00 0.00 176.91 176.65 3gpd h ALA 328 N 1.68 0.11 -0.14 6.32 0.00 -1.50 -1.89 119.26 123.84 3gpd h ALA 328 Ca 0.32 -1.06 0.04 0.00 0.00 0.00 0.00 54.91 54.21 3gpd h ALA 328 Cb 1.16 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3gpd h ALA 328 CO -0.02 0.87 -0.15 1.25 0.00 0.00 0.00 179.25 181.20 3gpd h HIS 329 N -0.08 -0.37 -0.17 0.00 -0.00 -0.58 0.29 115.15 114.25 3gpd h HIS 329 Ca -0.31 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 59.95 3gpd h HIS 329 Cb 1.95 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 29.53 3gpd h HIS 329 CO 0.12 -0.21 -0.47 0.00 -0.00 0.00 0.00 177.93 177.37 3gpd h MET 330 N -0.17 0.43 0.45 5.26 -0.00 0.32 -2.17 114.93 119.06 3gpd h MET 330 Ca 0.10 -0.24 -0.02 0.00 -0.00 0.00 0.00 59.70 59.54 3gpd h MET 330 Cb 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 3gpd h MET 330 CO -0.25 0.81 -0.22 0.00 -0.00 0.00 0.00 176.91 177.26 3gpd h ALA 331 N 1.15 -0.61 -0.03 -3.00 0.00 -1.12 0.24 119.26 115.89 3gpd h ALA 331 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gpd h ALA 331 Cb 0.96 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gpd h ALA 331 CO 0.08 -0.62 -0.03 0.77 0.00 0.00 0.00 179.25 179.46 3gpd h SER 332 N -1.06 -0.10 -0.03 0.00 0.02 -0.99 -3.11 113.55 108.27 3gpd h SER 332 Ca -0.06 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3gpd h SER 332 Cb 0.55 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3gpd h SER 332 CO 0.10 -0.02 -0.20 0.07 -1.14 0.00 0.00 176.83 175.65 3gpd h LYS 333 N -0.02 -0.22 0.00 3.45 5.09 -1.48 -3.52 116.57 119.88 3gpd h LYS 333 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.76 3gpd h LYS 333 Cb 0.03 0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.41 3gpd h LYS 333 CO -0.04 -0.14 0.00 -0.85 -2.09 0.00 0.00 179.45 176.33