#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n LEU 9 N 0.00 0.00 0.19 3.17 4.32 -1.26 -4.35 117.00 119.07 3df3 n LEU 9 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.17 3df3 n LEU 9 Cb 0.00 0.00 0.80 0.00 -1.62 0.00 0.00 43.42 42.60 3df3 n LEU 9 CO 0.00 0.00 1.16 0.11 -1.22 0.00 0.00 177.39 177.44 3df3 h LYS 10 N 0.00 0.00 0.00 3.23 1.57 -2.05 -1.52 116.57 117.80 3df3 h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3df3 h LYS 10 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3df3 h LYS 10 CO 0.00 0.00 0.30 0.00 -0.57 0.00 0.00 179.45 179.18 3df3 n ALA 11 N -2.23 0.63 0.65 3.86 0.00 -1.26 -1.58 120.51 120.58 3df3 n ALA 11 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3df3 n ALA 11 Cb 0.46 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3df3 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 12 N -1.27 1.05 2.62 0.00 0.00 -0.58 -3.37 105.19 103.63 3df3 n GLY 12 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3df3 n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df3 n VAL 13 N 0.29 1.42 0.00 1.61 0.31 -0.62 -4.83 118.33 116.52 3df3 n VAL 13 Ca 0.00 -3.46 0.00 0.00 -0.01 0.00 0.00 64.34 60.87 3df3 n VAL 13 Cb 0.20 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3df3 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df3 n HIS 14 N -0.30 0.00 0.00 3.52 1.44 -1.22 -3.86 115.22 114.80 3df3 n HIS 14 Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 3df3 n HIS 14 Cb 0.80 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.91 3df3 n HIS 14 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 3df3 n PHE 15 N -0.05 0.00 -1.98 -1.40 1.16 -1.23 -4.54 117.46 109.42 3df3 n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3df3 n PHE 15 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3df3 n PHE 15 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3df3 n GLY 16 N 0.00 1.17 3.79 4.97 0.00 -1.26 -4.13 105.19 109.72 3df3 n GLY 16 Ca 0.00 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 44.07 3df3 n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3df3 s HIS 17 N 0.97 -0.01 0.17 1.61 2.46 -1.25 -4.74 115.29 114.50 3df3 s HIS 17 Ca 0.00 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.40 3df3 s HIS 17 Cb 0.00 0.56 0.00 0.00 -0.13 0.00 0.00 32.58 33.01 3df3 s HIS 17 CO 0.00 -0.33 0.00 1.04 -2.47 0.00 0.00 174.74 172.98 3df3 n GLN 18 N -0.68 -4.15 0.00 2.88 3.00 -1.26 -3.97 117.38 113.21 3df3 n GLN 18 Ca -0.03 3.06 0.00 0.00 -0.01 0.00 0.00 57.00 60.01 3df3 n GLN 18 Cb 0.61 -3.17 0.00 0.00 0.00 0.00 0.00 30.24 27.68 3df3 n GLN 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 3df3 n THR 19 N 1.28 0.00 -2.12 5.09 5.66 -1.26 -1.40 114.28 121.53 3df3 n THR 19 Ca 0.00 0.75 0.01 0.00 -3.05 0.00 0.00 64.05 61.76 3df3 n THR 19 Cb 0.00 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.12 3df3 n THR 19 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3df3 n ARG 20 N -0.29 0.00 0.02 1.09 5.12 -1.26 -2.48 116.66 118.86 3df3 n ARG 20 Ca 0.00 -1.23 -0.20 0.00 -1.93 0.00 0.00 57.85 54.49 3df3 n ARG 20 Cb 0.00 -0.38 -0.14 0.00 -1.16 0.00 0.00 32.46 30.78 3df3 n ARG 20 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3df3 h TYR 21 N 0.23 0.47 0.00 -1.55 0.05 -1.98 -3.48 116.97 110.71 3df3 h TYR 21 Ca -0.05 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.39 3df3 h TYR 21 Cb 1.51 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.23 3df3 h TYR 21 CO 0.12 1.41 0.00 -2.67 -1.05 0.00 0.00 178.16 175.97 3df3 n TRP 22 N -4.07 0.00 -3.35 4.88 4.27 -1.26 -4.88 117.44 113.03 3df3 n TRP 22 Ca -0.19 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.45 3df3 n TRP 22 Cb 0.84 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.74 3df3 n TRP 22 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3df3 s ASN 23 N -0.90 -0.20 0.00 -0.67 3.04 -1.24 -4.19 114.94 110.78 3df3 s ASN 23 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 52.86 53.19 3df3 s ASN 23 Cb 0.00 1.20 0.00 0.00 -1.54 0.00 0.00 41.25 40.91 3df3 s ASN 23 CO 0.00 -0.04 0.27 -2.65 -3.04 0.00 0.00 177.10 171.64 3df3 n PRO 24 N 4.31 0.00 -0.03 0.43 -0.02 -1.26 -0.33 135.00 138.09 3df3 n PRO 24 Ca -0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.25 3df3 n PRO 24 Cb 0.55 -1.48 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 3df3 n PRO 24 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3df3 n LYS 25 N -0.76 0.68 -0.12 -0.52 5.02 -1.26 -4.08 118.16 117.12 3df3 n LYS 25 Ca 0.00 0.24 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3df3 n LYS 25 Cb 0.00 -1.72 0.31 0.00 -0.02 0.00 0.00 35.03 33.60 3df3 n LYS 25 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3df3 n MET 26 N -3.14 1.96 -0.20 1.97 2.81 0.55 -4.41 117.12 116.66 3df3 n MET 26 Ca -0.25 -1.45 -0.01 0.00 -1.81 0.00 0.00 57.70 54.18 3df3 n MET 26 Cb 1.06 -1.42 0.10 0.00 -0.71 0.00 0.00 33.22 32.25 3df3 n MET 26 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3df3 h LYS 27 N 2.83 0.49 -0.02 0.03 3.11 -1.69 -1.76 116.57 119.56 3df3 h LYS 27 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3df3 h LYS 27 Cb 0.62 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3df3 h LYS 27 CO 0.00 0.33 0.00 -2.30 -2.81 0.00 0.00 179.45 174.67 3df3 n PRO 28 N -4.91 0.12 -2.69 1.90 -0.02 -1.26 -2.48 135.00 125.66 3df3 n PRO 28 Ca 0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 3df3 n PRO 28 Cb 0.22 -1.01 0.04 0.00 -0.02 0.00 0.00 33.50 32.72 3df3 n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3df3 n PHE 29 N -0.35 1.36 -3.86 6.00 3.72 -0.66 -5.01 117.46 118.66 3df3 n PHE 29 Ca 0.00 -2.56 -0.28 0.00 -0.05 0.00 0.00 57.45 54.56 3df3 n PHE 29 Cb 0.00 -0.31 -0.16 0.00 -0.94 0.00 0.00 39.48 38.07 3df3 n PHE 29 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3df3 s ILE 30 N -3.54 1.02 0.03 4.37 1.01 -1.03 -1.71 121.20 121.34 3df3 s ILE 30 Ca 0.29 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 3df3 s ILE 30 Cb 0.41 -1.25 -0.17 0.00 0.01 0.00 0.00 42.46 41.46 3df3 s ILE 30 CO -0.00 0.06 1.37 0.15 0.00 0.00 0.00 174.94 176.52 3df3 h PHE 31 N 8.13 -0.51 -0.70 3.97 -0.00 0.58 -3.41 116.94 125.00 3df3 h PHE 31 Ca -0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 3df3 h PHE 31 Cb 1.11 0.17 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 3df3 h PHE 31 CO 0.43 -0.21 0.00 0.41 -0.00 0.00 0.00 178.31 178.94 3df3 n GLY 32 N -0.70 3.54 1.97 2.40 0.00 -1.06 -4.94 105.19 106.40 3df3 n GLY 32 Ca -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 3df3 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 n ALA 33 N -3.00 3.18 -1.28 4.61 0.00 -1.26 0.11 120.51 122.87 3df3 n ALA 33 Ca 0.00 -1.10 -0.36 0.00 0.00 0.00 0.00 53.44 51.98 3df3 n ALA 33 Cb 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 19.45 18.90 3df3 n ALA 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3df3 n ARG 34 N -0.76 0.36 -4.27 0.00 1.85 -1.18 -2.59 116.66 110.06 3df3 n ARG 34 Ca -0.18 0.17 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 3df3 n ARG 34 Cb 0.82 -1.98 -0.08 0.00 -1.05 0.00 0.00 32.46 30.18 3df3 n ARG 34 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3df3 n ASN 35 N -0.85 0.15 0.00 2.89 4.05 -1.26 -2.95 115.26 117.29 3df3 n ASN 35 Ca 0.11 -1.21 0.00 0.00 0.45 0.00 0.00 54.58 53.93 3df3 n ASN 35 Cb 0.50 -1.96 0.00 0.00 1.23 0.00 0.00 39.78 39.55 3df3 n ASN 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3df3 n LYS 36 N -4.48 0.00 -1.60 1.20 5.02 -1.07 -4.92 118.16 112.31 3df3 n LYS 36 Ca -0.25 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.57 3df3 n LYS 36 Cb 0.66 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.64 3df3 n LYS 36 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3df3 n VAL 37 N 0.00 1.28 -0.21 -0.18 3.14 -1.15 -4.64 118.33 116.57 3df3 n VAL 37 Ca 0.00 -0.32 -0.05 0.00 -2.96 0.00 0.00 64.34 61.01 3df3 n VAL 37 Cb 0.00 -1.05 0.05 0.00 -1.06 0.00 0.00 33.84 31.78 3df3 n VAL 37 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3df3 n HIS 38 N 1.15 -2.57 -3.56 1.45 8.25 -0.50 -3.11 115.22 116.33 3df3 n HIS 38 Ca 0.12 -0.15 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 3df3 n HIS 38 Cb 0.29 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 3df3 n HIS 38 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3df3 s ILE 39 N -1.24 -0.43 -0.02 1.59 -1.09 0.31 -3.82 121.20 116.50 3df3 s ILE 39 Ca 0.12 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.35 3df3 s ILE 39 Cb -0.02 -0.58 -0.08 0.00 -1.58 0.00 0.00 42.46 40.20 3df3 s ILE 39 CO 0.10 -0.02 1.98 -0.63 -1.23 0.00 0.00 174.94 175.13 3df3 s ILE 40 N 2.42 3.08 -0.89 2.92 1.01 -1.26 0.35 121.20 128.82 3df3 s ILE 40 Ca 0.05 0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.53 3df3 s ILE 40 Cb -0.14 -3.06 -0.15 0.00 0.01 0.00 0.00 42.46 39.12 3df3 s ILE 40 CO -0.11 -0.02 2.28 0.21 0.00 0.00 0.00 174.94 177.30 3df3 s ASN 41 N 4.96 3.92 0.60 3.58 2.47 -0.69 -4.23 114.94 125.55 3df3 s ASN 41 Ca 0.89 -0.34 0.38 0.00 0.42 0.00 0.00 52.86 54.22 3df3 s ASN 41 Cb -0.40 -2.56 2.09 0.00 -1.45 0.00 0.00 41.25 38.92 3df3 s ASN 41 CO 0.39 -3.98 2.17 -0.07 -3.72 0.00 0.00 177.10 171.89 3df3 h LEU 42 N 21.94 0.00 -0.87 3.21 3.38 -1.89 -2.17 115.31 138.90 3df3 h LEU 42 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3df3 h LEU 42 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3df3 h LEU 42 CO 1.03 0.00 -0.39 -0.33 0.09 0.00 0.00 178.44 178.84 3df3 h GLU 43 N 0.00 0.35 -0.02 1.13 5.08 -2.00 -2.67 114.58 116.46 3df3 h GLU 43 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3df3 h GLU 43 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3df3 h GLU 43 CO 0.00 0.69 -0.40 1.17 -1.00 0.00 0.00 179.01 179.47 3df3 n LYS 44 N -4.04 1.40 0.07 2.33 3.00 -0.85 -4.13 118.16 115.95 3df3 n LYS 44 Ca -0.01 -1.02 -0.10 0.00 -0.00 0.00 0.00 58.31 57.17 3df3 n LYS 44 Cb 0.48 -1.42 -0.13 0.00 0.00 0.00 0.00 35.03 33.96 3df3 n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3df3 h THR 45 N 2.43 1.58 -0.35 3.15 2.02 -1.28 -3.32 112.91 117.14 3df3 h THR 45 Ca 0.00 -3.25 -0.00 0.00 0.77 0.00 0.00 66.41 63.93 3df3 h THR 45 Cb 0.72 2.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.97 3df3 h THR 45 CO 0.00 0.92 0.20 1.62 0.37 0.00 0.00 175.52 178.64 3df3 h VAL 46 N 0.03 1.12 -0.31 3.16 3.04 -1.63 0.63 116.25 122.28 3df3 h VAL 46 Ca -0.07 -0.29 0.06 0.00 -1.01 0.00 0.00 66.70 65.38 3df3 h VAL 46 Cb 1.86 0.69 -0.05 0.00 -2.01 0.00 0.00 31.29 31.78 3df3 h VAL 46 CO 0.15 0.12 -0.02 -0.65 -1.01 0.00 0.00 177.57 176.16 3df3 h PRO 47 N 0.45 0.06 0.00 4.17 0.11 -1.78 -0.87 132.00 134.13 3df3 h PRO 47 Ca 0.12 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3df3 h PRO 47 Cb 0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3df3 h PRO 47 CO -0.02 0.04 -0.03 0.00 -0.21 0.00 0.00 178.00 177.78 3df3 h MET 48 N 0.06 0.00 0.15 1.05 -0.00 -1.62 -2.58 114.93 111.99 3df3 h MET 48 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.87 3df3 h MET 48 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.77 3df3 h MET 48 CO -0.27 0.03 -0.40 0.74 -0.00 0.00 0.00 176.91 177.01 3df3 h PHE 49 N 0.00 -1.10 0.00 -0.10 0.04 0.17 -2.46 116.94 113.49 3df3 h PHE 49 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3df3 h PHE 49 Cb 0.76 0.46 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3df3 h PHE 49 CO 0.00 -0.50 -0.08 -2.95 -0.60 0.00 0.00 178.31 174.18 3df3 h ASN 50 N -0.65 0.00 -0.91 2.17 -1.07 -1.58 -3.08 115.58 110.46 3df3 h ASN 50 Ca 0.02 0.00 0.11 0.00 0.07 0.00 0.00 56.30 56.50 3df3 h ASN 50 Cb 0.67 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.79 3df3 h ASN 50 CO -0.21 0.38 -0.45 1.21 0.07 0.00 0.00 177.43 178.43 3df3 n GLU 51 N -3.91 -0.31 -0.12 4.14 0.00 -0.97 0.16 120.64 119.62 3df3 n GLU 51 Ca -0.01 1.39 -0.09 0.00 0.00 0.00 0.00 57.16 58.45 3df3 n GLU 51 Cb 0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 31.44 29.41 3df3 n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3df3 h ALA 52 N 0.86 0.48 -0.86 4.31 0.00 -1.64 -2.92 119.26 119.48 3df3 h ALA 52 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3df3 h ALA 52 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3df3 h ALA 52 CO -0.88 0.07 0.53 1.25 0.00 0.00 0.00 179.25 180.22 3df3 h LEU 53 N 0.45 1.03 -0.79 0.00 5.85 -0.26 -2.72 115.31 118.87 3df3 h LEU 53 Ca 0.12 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3df3 h LEU 53 Cb 0.17 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3df3 h LEU 53 CO -0.01 0.78 0.42 0.00 -0.34 0.00 0.00 178.44 179.29 3df3 h ALA 54 N 1.29 1.13 -0.69 1.25 0.00 0.17 -1.26 119.26 121.15 3df3 h ALA 54 Ca 0.31 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.40 3df3 h ALA 54 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3df3 h ALA 54 CO -0.06 -0.01 0.46 0.93 0.00 0.00 0.00 179.25 180.57 3df3 h GLU 55 N 0.67 0.43 -0.24 0.00 4.39 -1.39 -1.30 114.58 117.14 3df3 h GLU 55 Ca 0.40 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.09 3df3 h GLU 55 Cb 0.45 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3df3 h GLU 55 CO -0.29 0.28 0.12 -0.07 -1.16 0.00 0.00 179.01 177.90 3df3 h LEU 56 N 0.44 0.18 -1.12 1.33 4.07 -1.29 -1.93 115.31 117.00 3df3 h LEU 56 Ca 0.33 0.01 0.24 0.00 0.08 0.00 0.00 57.88 58.54 3df3 h LEU 56 Cb 0.67 -0.03 -0.11 0.00 1.08 0.00 0.00 40.66 42.27 3df3 h LEU 56 CO -0.10 0.14 0.62 -1.13 -1.08 0.00 0.00 178.44 176.89 3df3 h ASN 57 N 0.26 0.62 0.00 -0.43 -0.73 -1.26 -0.91 115.58 113.13 3df3 h ASN 57 Ca 0.10 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.38 3df3 h ASN 57 Cb 0.02 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.63 3df3 h ASN 57 CO -0.07 0.12 0.00 0.29 -0.37 0.00 0.00 177.43 177.41 3df3 n LYS 58 N -4.78 0.00 0.10 6.67 4.76 -0.72 -0.30 118.16 123.89 3df3 n LYS 58 Ca 0.26 0.10 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 3df3 n LYS 58 Cb 0.76 -0.61 0.61 0.00 -1.84 0.00 0.00 35.03 33.96 3df3 n LYS 58 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3df3 h ILE 59 N 0.00 0.91 -0.22 -0.18 5.03 -1.68 -0.05 117.51 121.33 3df3 h ILE 59 Ca 0.00 -0.04 0.06 0.00 -0.12 0.00 0.00 64.86 64.76 3df3 h ILE 59 Cb 0.00 0.79 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 3df3 h ILE 59 CO 0.00 0.02 0.24 0.00 -0.68 0.00 0.00 178.15 177.73 3df3 h ALA 60 N 1.85 1.85 -0.11 1.87 0.00 -0.58 -1.31 119.26 122.82 3df3 h ALA 60 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3df3 h ALA 60 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3df3 h ALA 60 CO -0.02 -0.35 0.06 0.77 0.00 0.00 0.00 179.25 179.71 3df3 h SER 61 N 0.00 0.14 -1.84 0.00 0.02 0.14 -2.63 113.55 109.37 3df3 h SER 61 Ca 0.10 -0.06 -0.75 0.00 -0.84 0.00 0.00 61.79 60.24 3df3 h SER 61 Cb 0.59 -0.03 -0.17 0.00 0.14 0.00 0.00 62.40 62.92 3df3 h SER 61 CO -0.00 0.16 1.65 0.54 -1.14 0.00 0.00 176.83 178.04 3df3 n ARG 62 N -4.97 3.57 -4.42 3.45 3.00 -0.58 -4.61 116.66 112.10 3df3 n ARG 62 Ca -0.05 -3.74 -0.38 0.00 -0.01 0.00 0.00 57.85 53.67 3df3 n ARG 62 Cb 0.06 -2.94 -0.08 0.00 0.00 0.00 0.00 32.46 29.51 3df3 n ARG 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3df3 n LYS 63 N 4.39 -1.16 -1.49 5.56 5.02 -1.22 -4.68 118.16 124.57 3df3 n LYS 63 Ca 0.37 0.16 -0.44 0.00 -2.02 0.00 0.00 58.31 56.39 3df3 n LYS 63 Cb 0.39 -4.43 -0.08 0.00 -0.02 0.00 0.00 35.03 30.89 3df3 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df3 n GLY 64 N -1.57 0.18 3.32 0.72 0.00 -0.71 -4.78 105.19 102.34 3df3 n GLY 64 Ca -0.03 0.90 -0.41 0.00 0.00 0.00 0.00 46.02 46.48 3df3 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df3 n LYS 65 N 8.54 0.90 -2.40 1.61 5.02 -1.26 -4.52 118.16 126.04 3df3 n LYS 65 Ca 0.46 -1.60 -0.42 0.00 -2.02 0.00 0.00 58.31 54.72 3df3 n LYS 65 Cb 0.29 -2.92 -0.02 0.00 -0.02 0.00 0.00 35.03 32.35 3df3 n LYS 65 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3df3 s ILE 66 N 7.10 3.89 -0.30 -0.18 -1.09 -1.26 -2.28 121.20 127.07 3df3 s ILE 66 Ca 0.64 0.84 -0.22 0.00 -2.23 0.00 0.00 60.65 59.68 3df3 s ILE 66 Cb 0.12 -4.38 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 3df3 s ILE 66 CO 0.21 -1.00 0.71 -0.22 -1.23 0.00 0.00 174.94 173.41 3df3 s LEU 67 N 5.61 4.11 0.15 2.97 0.20 -1.25 -0.57 118.68 129.89 3df3 s LEU 67 Ca 0.55 0.59 -0.12 0.00 0.69 0.00 0.00 54.13 55.85 3df3 s LEU 67 Cb -0.11 -2.95 -0.07 0.00 -0.43 0.00 0.00 46.19 42.63 3df3 s LEU 67 CO 0.29 -0.53 0.50 -0.36 -0.29 0.00 0.00 176.35 175.97 3df3 s PHE 68 N 2.76 3.55 0.18 5.38 0.40 0.19 0.59 117.98 131.03 3df3 s PHE 68 Ca 0.29 0.92 0.05 0.00 -0.60 0.00 0.00 56.93 57.59 3df3 s PHE 68 Cb -0.15 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.06 3df3 s PHE 68 CO 0.11 0.41 -0.09 0.08 0.70 0.00 0.00 175.22 176.43 3df3 s VAL 69 N -1.55 1.31 0.00 -0.44 1.01 0.24 0.55 120.40 121.53 3df3 s VAL 69 Ca 0.39 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 60.27 3df3 s VAL 69 Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3df3 s VAL 69 CO 0.20 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.30 3df3 n GLY 70 N -0.30 2.03 0.03 4.51 0.00 -0.95 -2.57 105.19 107.95 3df3 n GLY 70 Ca -0.08 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3df3 n GLY 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3df3 n THR 71 N 0.00 0.15 -1.58 2.61 -1.04 -1.26 -3.02 114.28 110.14 3df3 n THR 71 Ca 0.00 -0.47 -0.44 0.00 -2.04 0.00 0.00 64.05 61.10 3df3 n THR 71 Cb 0.00 -0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.48 3df3 n THR 71 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3df3 n LYS 72 N -2.30 1.30 -0.01 -2.82 2.85 -1.26 -4.44 118.16 111.48 3df3 n LYS 72 Ca -0.02 0.46 -0.00 0.00 -1.05 0.00 0.00 58.31 57.69 3df3 n LYS 72 Cb 0.55 -1.83 -0.00 0.00 -0.65 0.00 0.00 35.03 33.09 3df3 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3df3 n ARG 73 N 0.67 -0.02 0.05 -1.58 3.00 -1.26 -0.82 116.66 116.70 3df3 n ARG 73 Ca 0.10 0.50 -0.04 0.00 -0.00 0.00 0.00 57.85 58.40 3df3 n ARG 73 Cb 0.33 -0.74 -0.03 0.00 0.00 0.00 0.00 32.46 32.02 3df3 n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df3 h ALA 74 N -0.43 -0.73 -0.12 5.13 0.00 -1.98 -3.27 119.26 117.86 3df3 h ALA 74 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3df3 h ALA 74 Cb 0.01 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3df3 h ALA 74 CO -0.03 -0.76 -0.41 0.00 0.00 0.00 0.00 179.25 178.05 3df3 h ALA 75 N -1.37 -0.76 -0.58 0.00 0.00 -1.81 -3.23 119.26 111.50 3df3 h ALA 75 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3df3 h ALA 75 Cb 0.21 0.91 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3df3 h ALA 75 CO -0.06 -0.92 0.00 0.45 0.00 0.00 0.00 179.25 178.73 3df3 n SER 76 N -4.69 0.00 0.05 0.00 2.88 0.00 0.16 113.62 112.03 3df3 n SER 76 Ca -0.04 0.21 0.21 0.00 -1.33 0.00 0.00 58.87 57.92 3df3 n SER 76 Cb 0.28 -0.05 0.69 0.00 -0.75 0.00 0.00 64.21 64.38 3df3 n SER 76 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3df3 h GLU 77 N 0.00 0.00 0.03 -1.46 4.81 -1.63 -1.30 114.58 115.03 3df3 h GLU 77 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3df3 h GLU 77 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3df3 h GLU 77 CO 0.00 0.00 -2.05 0.00 -0.73 0.00 0.00 179.01 176.23 3df3 n ALA 78 N -2.29 1.33 -0.31 2.92 0.00 0.42 -4.34 120.51 118.25 3df3 n ALA 78 Ca 0.10 -0.90 0.14 0.00 0.00 0.00 0.00 53.44 52.77 3df3 n ALA 78 Cb 0.77 -0.54 0.32 0.00 0.00 0.00 0.00 19.45 20.00 3df3 n ALA 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df3 h VAL 79 N 0.02 0.48 -0.05 0.00 2.07 0.21 -1.23 116.25 117.75 3df3 h VAL 79 Ca -0.43 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3df3 h VAL 79 Cb 2.06 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3df3 h VAL 79 CO 0.05 0.08 -0.29 0.07 0.02 0.00 0.00 177.57 177.50 3df3 h LYS 80 N 0.42 -0.39 0.67 1.57 2.10 -1.75 -1.36 116.57 117.84 3df3 h LYS 80 Ca 0.58 0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 59.23 3df3 h LYS 80 Cb 1.10 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3df3 h LYS 80 CO -0.52 -0.26 -0.47 -0.44 -2.00 0.00 0.00 179.45 175.75 3df3 h ASP 81 N -0.40 -1.22 -0.36 7.07 3.32 -1.46 0.29 116.42 123.64 3df3 h ASP 81 Ca 0.08 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3df3 h ASP 81 Cb 0.51 0.37 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 3df3 h ASP 81 CO -0.28 -0.70 -0.12 0.00 -1.72 0.00 0.00 179.24 176.42 3df3 h ALA 82 N -0.95 0.19 -0.04 3.45 0.00 -1.41 -2.74 119.26 117.76 3df3 h ALA 82 Ca -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3df3 h ALA 82 Cb 0.90 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3df3 h ALA 82 CO 0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 179.25 178.70 3df3 h ALA 83 N 1.28 0.06 0.00 0.00 0.00 -1.23 -3.12 119.26 116.26 3df3 h ALA 83 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3df3 h ALA 83 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3df3 h ALA 83 CO -0.40 -0.05 0.00 -0.11 0.00 0.00 0.00 179.25 178.69 3df3 n LEU 84 N -4.66 0.00 0.00 0.00 0.00 0.10 -2.43 117.00 110.01 3df3 n LEU 84 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 56.01 56.00 3df3 n LEU 84 Cb 0.37 -0.07 0.06 0.00 0.00 0.00 0.00 43.42 43.79 3df3 n LEU 84 CO 0.37 -0.07 0.48 -1.20 0.00 0.00 0.00 177.39 176.96 3df3 n SER 85 N -1.05 0.00 0.00 1.96 7.64 -1.04 -4.82 113.62 116.31 3df3 n SER 85 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3df3 n SER 85 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3df3 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df3 h ASP 87 N 0.00 0.04 -0.14 0.00 3.58 -1.87 -3.41 116.42 114.61 3df3 h ASP 87 Ca 0.00 0.01 -0.76 0.00 0.42 0.00 0.00 57.03 56.70 3df3 h ASP 87 Cb 0.00 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3df3 h ASP 87 CO 0.00 -0.01 1.19 0.00 -2.88 0.00 0.00 179.24 177.54 3df3 n GLN 88 N -4.17 0.00 -2.18 0.28 6.02 -1.25 -4.73 117.38 111.35 3df3 n GLN 88 Ca 0.32 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 57.05 3df3 n GLN 88 Cb 1.46 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 31.34 3df3 n GLN 88 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3df3 s PHE 89 N 5.38 2.94 0.23 1.08 0.40 0.26 -3.79 117.98 124.49 3df3 s PHE 89 Ca 1.14 0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 57.74 3df3 s PHE 89 Cb -1.45 -3.19 0.04 0.00 0.51 0.00 0.00 43.02 38.92 3df3 s PHE 89 CO 0.66 -1.40 0.70 -0.59 0.70 0.00 0.00 175.22 175.29 3df3 s PHE 90 N -3.26 -0.30 -0.23 0.36 -0.12 -0.94 0.56 117.98 114.04 3df3 s PHE 90 Ca 0.60 -0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 57.38 3df3 s PHE 90 Cb -0.11 0.66 0.12 0.00 -0.63 0.00 0.00 43.02 43.06 3df3 s PHE 90 CO 0.45 -1.09 0.35 0.08 -0.05 0.00 0.00 175.22 174.96 3df3 s VAL 91 N -3.82 -0.55 -0.25 -2.49 1.01 0.19 -4.11 120.40 110.38 3df3 s VAL 91 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3df3 s VAL 91 Cb -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.63 3df3 s VAL 91 CO 0.00 -0.14 1.02 -0.46 0.00 0.00 0.00 175.10 175.52 3df3 n ASN 92 N 5.36 2.14 -3.86 3.32 0.23 -1.26 -2.23 115.26 118.96 3df3 n ASN 92 Ca -0.04 -1.91 -0.29 0.00 -0.53 0.00 0.00 54.58 51.81 3df3 n ASN 92 Cb 0.50 -0.05 -0.13 0.00 -2.08 0.00 0.00 39.78 38.02 3df3 n ASN 92 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 3df3 s HIS 93 N -0.92 3.05 0.00 -2.53 3.76 -1.26 -4.17 115.29 113.22 3df3 s HIS 93 Ca 0.06 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 51.87 3df3 s HIS 93 Cb 0.03 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 31.21 3df3 s HIS 93 CO 0.04 -0.66 0.00 2.89 -0.85 0.00 0.00 174.74 176.16 3df3 n ARG 94 N 2.64 0.00 -1.68 1.40 0.00 -1.26 -4.68 116.66 113.07 3df3 n ARG 94 Ca 0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.57 3df3 n ARG 94 Cb 0.35 -0.42 0.00 0.00 -0.00 0.00 0.00 32.46 32.39 3df3 n ARG 94 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3df3 n TRP 95 N 1.76 1.97 -3.11 2.89 7.02 -1.26 -4.98 117.44 121.73 3df3 n TRP 95 Ca 0.00 0.54 -0.30 0.00 -1.02 0.00 0.00 57.50 56.71 3df3 n TRP 95 Cb 0.00 -2.36 -0.04 0.00 -2.42 0.00 0.00 31.31 26.49 3df3 n TRP 95 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3df3 s LEU 96 N -1.15 3.98 -1.22 -0.99 2.01 -1.26 -4.98 118.68 115.06 3df3 s LEU 96 Ca 0.59 1.02 -0.20 0.00 0.01 0.00 0.00 54.13 55.56 3df3 s LEU 96 Cb -0.55 -3.86 0.02 0.00 0.01 0.00 0.00 46.19 41.81 3df3 s LEU 96 CO 0.59 -0.26 1.78 -0.83 1.01 0.00 0.00 176.35 178.64 3df3 s GLY 97 N -2.88 1.10 0.00 -3.19 0.00 -1.26 -3.26 107.32 97.83 3df3 s GLY 97 Ca 0.49 -2.57 0.00 0.00 0.00 0.00 0.00 44.72 42.65 3df3 s GLY 97 CO 0.27 3.01 0.00 0.61 0.00 0.00 0.00 173.10 176.99 3df3 n GLY 98 N 5.72 1.09 0.04 0.20 0.00 -1.26 -4.88 105.19 106.10 3df3 n GLY 98 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.50 3df3 n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3df3 n MET 99 N -0.44 0.03 -0.01 1.61 0.00 -1.20 0.12 117.12 117.23 3df3 n MET 99 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 57.70 58.11 3df3 n MET 99 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 33.22 31.49 3df3 n MET 99 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3df3 n LEU 100 N -1.60 1.35 -0.06 3.17 7.94 -1.26 -4.35 117.00 122.19 3df3 n LEU 100 Ca -0.00 0.20 -0.14 0.00 -1.11 0.00 0.00 56.01 54.96 3df3 n LEU 100 Cb 0.12 -0.47 -0.06 0.00 0.53 0.00 0.00 43.42 43.54 3df3 n LEU 100 CO 0.02 -0.49 0.56 0.00 -1.11 0.00 0.00 177.39 176.37 3df3 h THR 101 N -0.37 1.34 -0.59 1.96 1.03 -1.77 -2.97 112.91 111.53 3df3 h THR 101 Ca -0.03 -1.43 -0.31 0.00 -0.01 0.00 0.00 66.41 64.63 3df3 h THR 101 Cb 0.46 1.83 -0.18 0.00 -1.07 0.00 0.00 68.15 69.19 3df3 h THR 101 CO -0.02 0.44 0.39 -3.20 -0.01 0.00 0.00 175.52 173.12 3df3 n ASN 102 N -4.41 3.57 -0.30 0.00 5.15 0.32 -4.54 115.26 115.05 3df3 n ASN 102 Ca -0.06 -2.96 0.13 0.00 -0.60 0.00 0.00 54.58 51.10 3df3 n ASN 102 Cb 0.43 -0.71 0.30 0.00 -0.53 0.00 0.00 39.78 39.26 3df3 n ASN 102 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3df3 h TRP 103 N 0.63 0.54 -1.00 1.20 7.01 -1.27 0.36 115.95 123.42 3df3 h TRP 103 Ca 0.38 0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.62 3df3 h TRP 103 Cb 2.06 -0.10 -0.11 0.00 -2.10 0.00 0.00 29.16 28.91 3df3 h TRP 103 CO 0.94 -0.10 0.60 1.57 -2.79 0.00 0.00 178.44 178.66 3df3 h LYS 104 N 0.33 0.71 0.03 2.65 2.10 -1.87 0.27 116.57 120.79 3df3 h LYS 104 Ca 0.55 -0.04 -0.34 0.00 -2.00 0.00 0.00 60.65 58.82 3df3 h LYS 104 Cb 1.07 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 32.19 3df3 h LYS 104 CO -0.56 0.47 -2.04 2.41 -2.00 0.00 0.00 179.45 177.72 3df3 n THR 105 N -4.79 1.58 -0.11 0.07 -1.04 0.34 -4.29 114.28 106.04 3df3 n THR 105 Ca 0.24 -0.75 -0.07 0.00 -2.04 0.00 0.00 64.05 61.43 3df3 n THR 105 Cb 0.60 -1.12 0.10 0.00 -1.82 0.00 0.00 70.33 68.10 3df3 n THR 105 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3df3 h VAL 106 N 0.02 1.26 -0.61 12.58 2.07 0.02 -2.88 116.25 128.70 3df3 h VAL 106 Ca -0.42 -1.21 0.16 0.00 0.82 0.00 0.00 66.70 66.05 3df3 h VAL 106 Cb 2.06 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 3df3 h VAL 106 CO 0.05 0.41 0.43 0.08 0.02 0.00 0.00 177.57 178.56 3df3 h ARG 107 N 0.74 0.11 -0.91 1.57 0.11 -0.66 -0.94 114.38 114.40 3df3 h ARG 107 Ca 0.12 -0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.43 3df3 h ARG 107 Cb 0.62 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.62 3df3 h ARG 107 CO 0.04 0.08 0.62 1.96 0.10 0.00 0.00 179.97 182.77 3df3 h GLN 108 N 0.12 0.20 -0.07 0.08 1.08 -1.71 0.65 115.11 115.45 3df3 h GLN 108 Ca 0.29 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 57.25 3df3 h GLN 108 Cb 1.00 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.40 3df3 h GLN 108 CO -0.04 0.13 -0.88 0.77 -0.95 0.00 0.00 178.83 177.87 3df3 h SER 109 N 0.21 0.82 0.12 1.46 0.02 -1.36 -2.79 113.55 112.03 3df3 h SER 109 Ca 0.46 -0.59 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3df3 h SER 109 Cb 1.46 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 3df3 h SER 109 CO -0.11 1.38 -0.23 0.40 -1.14 0.00 0.00 176.83 177.14 3df3 h ILE 110 N 0.42 0.49 -0.22 3.27 2.04 0.19 0.40 117.51 124.10 3df3 h ILE 110 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3df3 h ILE 110 Cb 1.51 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 3df3 h ILE 110 CO 0.17 0.00 -0.17 0.50 0.00 0.00 0.00 178.15 178.65 3df3 h LYS 111 N -0.43 -0.17 -0.09 2.37 3.64 -1.20 0.10 116.57 120.80 3df3 h LYS 111 Ca 0.03 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3df3 h LYS 111 Cb 0.45 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 3df3 h LYS 111 CO -0.12 -0.11 -0.32 -0.09 -2.27 0.00 0.00 179.45 176.53 3df3 h ARG 112 N -0.18 -0.40 -0.82 1.90 9.65 -1.14 -0.42 114.38 122.97 3df3 h ARG 112 Ca 0.13 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.18 3df3 h ARG 112 Cb 0.37 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.95 3df3 h ARG 112 CO -0.32 -0.27 0.40 1.25 2.80 0.00 0.00 179.97 183.83 3df3 h LEU 113 N -0.42 0.47 0.44 3.80 6.46 0.48 0.37 115.31 126.91 3df3 h LEU 113 Ca 0.08 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3df3 h LEU 113 Cb 0.55 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3df3 h LEU 113 CO -0.32 0.20 -0.24 0.11 -0.62 0.00 0.00 178.44 177.57 3df3 h LYS 114 N 0.58 -0.60 -0.91 1.25 1.57 0.40 0.52 116.57 119.38 3df3 h LYS 114 Ca 0.44 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.35 3df3 h LYS 114 Cb 0.62 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 3df3 h LYS 114 CO -0.36 -0.40 0.56 0.38 -0.57 0.00 0.00 179.45 179.05 3df3 h ASP 115 N -0.62 0.84 0.18 0.86 3.04 -0.87 0.55 116.42 120.39 3df3 h ASP 115 Ca -0.06 0.03 -0.09 0.00 -3.24 0.00 0.00 57.03 53.67 3df3 h ASP 115 Cb 0.49 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 3df3 h ASP 115 CO 0.08 0.49 -0.34 0.25 -2.04 0.00 0.00 179.24 177.69 3df3 h LEU 116 N 0.95 0.24 -0.48 0.15 6.46 -0.21 -1.55 115.31 120.88 3df3 h LEU 116 Ca 0.42 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 58.05 3df3 h LEU 116 Cb 0.32 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3df3 h LEU 116 CO -0.22 0.57 0.11 -0.08 -0.62 0.00 0.00 178.44 178.20 3df3 h GLU 117 N 0.21 0.78 0.00 1.25 4.81 0.22 -2.15 114.58 119.69 3df3 h GLU 117 Ca 0.03 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3df3 h GLU 117 Cb 0.70 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3df3 h GLU 117 CO 0.05 0.76 -0.34 1.79 -0.73 0.00 0.00 179.01 180.55 3df3 h THR 118 N 0.66 1.09 0.16 0.32 1.35 -0.87 -2.99 112.91 112.62 3df3 h THR 118 Ca 0.15 -1.23 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 3df3 h THR 118 Cb 0.34 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 3df3 h THR 118 CO 0.00 0.33 -0.29 1.56 -0.25 0.00 0.00 175.52 176.87 3df3 h GLN 119 N 0.00 -0.52 -3.42 4.72 1.08 -0.62 -2.97 115.11 113.38 3df3 h GLN 119 Ca -0.00 0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 3df3 h GLN 119 Cb 0.66 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3df3 h GLN 119 CO 0.04 -0.34 1.00 -1.13 -0.95 0.00 0.00 178.83 177.45 3df3 n SER 120 N -5.40 1.16 0.00 1.46 3.41 -1.11 -1.34 113.62 111.80 3df3 n SER 120 Ca -0.07 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3df3 n SER 120 Cb 0.31 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3df3 n SER 120 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3df3 n GLN 121 N 4.00 0.00 -0.62 4.33 0.00 -1.17 -5.06 117.38 118.86 3df3 n GLN 121 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.81 3df3 n GLN 121 Cb 0.08 0.00 0.23 0.00 0.00 0.00 0.00 30.24 30.55 3df3 n GLN 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 3df3 s ASP 122 N -0.70 1.55 0.00 1.69 3.84 -0.45 -4.92 116.67 117.68 3df3 s ASP 122 Ca 0.00 1.68 0.29 0.00 -0.00 0.00 0.00 52.55 54.52 3df3 s ASP 122 Cb 0.00 -2.36 1.30 0.00 -1.38 0.00 0.00 42.92 40.48 3df3 s ASP 122 CO 0.00 -3.87 1.94 0.61 -0.00 0.00 0.00 175.17 173.85 3df3 n GLY 123 N 0.54 -1.33 2.03 2.12 0.00 -1.26 -3.48 105.19 103.81 3df3 n GLY 123 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3df3 n GLY 123 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3df3 n THR 124 N -1.35 3.05 0.27 2.61 5.66 -1.26 -4.20 114.28 119.05 3df3 n THR 124 Ca 0.11 -1.93 0.09 0.00 -3.05 0.00 0.00 64.05 59.27 3df3 n THR 124 Cb 0.29 -0.42 -0.13 0.00 -1.55 0.00 0.00 70.33 68.52 3df3 n THR 124 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3df3 n PHE 125 N -0.85 0.00 0.31 1.09 7.35 -1.23 -4.27 117.46 119.87 3df3 n PHE 125 Ca 0.51 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.36 3df3 n PHE 125 Cb 1.51 -0.29 0.69 0.00 0.35 0.00 0.00 39.48 41.74 3df3 n PHE 125 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 3df3 h ASP 126 N 0.00 0.00 -3.75 -2.13 3.04 -1.84 -3.45 116.42 108.29 3df3 h ASP 126 Ca 0.00 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.31 3df3 h ASP 126 Cb 0.73 0.00 0.21 0.00 -1.04 0.00 0.00 39.33 39.22 3df3 h ASP 126 CO 0.00 0.00 0.11 -1.59 -2.04 0.00 0.00 179.24 175.72 3df3 s LYS 127 N -3.62 -0.05 0.31 4.15 0.00 -1.26 -4.76 119.74 114.51 3df3 s LYS 127 Ca 0.01 1.24 0.00 0.00 0.00 0.00 0.00 55.97 57.22 3df3 s LYS 127 Cb 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 37.83 36.30 3df3 s LYS 127 CO 0.48 -3.26 0.00 1.28 0.00 0.00 0.00 175.35 173.85 3df3 n LEU 128 N -4.64 -6.23 -4.31 2.77 4.32 -1.26 -4.69 117.00 102.96 3df3 n LEU 128 Ca 0.08 3.32 -0.31 0.00 -0.02 0.00 0.00 56.01 59.08 3df3 n LEU 128 Cb 0.53 -3.23 0.20 0.00 -1.62 0.00 0.00 43.42 39.30 3df3 n LEU 128 CO 0.53 -1.14 -0.32 0.35 -1.22 0.00 0.00 177.39 175.60 3df3 n THR 129 N 1.17 0.00 0.30 -5.08 -2.24 -1.26 -4.21 114.28 102.96 3df3 n THR 129 Ca 0.00 -0.35 0.04 0.00 -2.27 0.00 0.00 64.05 61.48 3df3 n THR 129 Cb 0.00 -0.69 0.23 0.00 -2.10 0.00 0.00 70.33 67.77 3df3 n THR 129 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3df3 h LYS 130 N -2.25 0.00 0.00 -0.78 1.79 -1.95 -1.89 116.57 111.49 3df3 h LYS 130 Ca -0.56 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 3df3 h LYS 130 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 3df3 h LYS 130 CO 0.41 0.00 0.00 1.17 -1.08 0.00 0.00 179.45 179.95 3df3 n LYS 131 N -2.48 0.00 0.28 3.15 3.00 -1.26 -0.79 118.16 120.06 3df3 n LYS 131 Ca -0.01 0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.46 3df3 n LYS 131 Cb 0.77 -0.69 0.82 0.00 0.00 0.00 0.00 35.03 35.93 3df3 n LYS 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3df3 h GLU 132 N 0.00 0.00 0.22 1.64 4.39 -1.79 -1.94 114.58 117.09 3df3 h GLU 132 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3df3 h GLU 132 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3df3 h GLU 132 CO 0.00 0.02 -0.13 0.00 -1.16 0.00 0.00 179.01 177.74 3df3 h ALA 133 N 1.98 -0.32 0.00 3.43 0.00 -1.39 -0.79 119.26 122.17 3df3 h ALA 133 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3df3 h ALA 133 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3df3 h ALA 133 CO 0.00 -0.69 -0.35 1.25 0.00 0.00 0.00 179.25 179.46 3df3 h LEU 134 N -0.33 0.00 -0.61 0.00 5.85 -0.46 -2.37 115.31 117.39 3df3 h LEU 134 Ca -0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3df3 h LEU 134 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3df3 h LEU 134 CO 0.02 0.35 0.16 0.24 -0.34 0.00 0.00 178.44 178.87 3df3 h MET 135 N 0.00 0.97 -0.04 1.25 2.86 -0.80 -2.03 114.93 117.14 3df3 h MET 135 Ca -0.00 -0.23 -0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3df3 h MET 135 Cb 0.76 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3df3 h MET 135 CO 0.05 0.89 -0.66 0.00 1.06 0.00 0.00 176.91 178.24 3df3 h ARG 136 N 0.89 0.17 -0.64 1.72 3.08 -0.93 -3.14 114.38 115.53 3df3 h ARG 136 Ca 0.19 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3df3 h ARG 136 Cb 0.34 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3df3 h ARG 136 CO 0.00 0.77 0.36 1.15 -1.07 0.00 0.00 179.97 181.18 3df3 h THR 137 N 0.12 1.20 -0.24 2.04 2.02 -1.08 -3.12 112.91 113.86 3df3 h THR 137 Ca -0.01 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.73 3df3 h THR 137 Cb 1.18 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 3df3 h THR 137 CO 0.10 0.22 -0.25 -0.09 0.37 0.00 0.00 175.52 175.87 3df3 h ARG 138 N 0.88 -0.25 -0.71 6.66 9.65 -1.32 -2.14 114.38 127.14 3df3 h ARG 138 Ca 0.23 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.23 3df3 h ARG 138 Cb 0.03 0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 28.55 3df3 h ARG 138 CO -0.04 -0.17 -0.44 0.93 2.80 0.00 0.00 179.97 183.05 3df3 h GLU 139 N -0.26 -0.15 -0.88 0.20 5.08 -1.63 0.28 114.58 117.22 3df3 h GLU 139 Ca 0.13 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3df3 h GLU 139 Cb 0.47 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3df3 h GLU 139 CO -0.39 -0.10 0.50 -0.07 -1.00 0.00 0.00 179.01 177.95 3df3 h LEU 140 N -0.15 1.08 -0.84 1.33 4.07 -1.62 1.21 115.31 120.39 3df3 h LEU 140 Ca 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3df3 h LEU 140 Cb 0.55 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3df3 h LEU 140 CO -0.78 0.86 0.25 -0.62 -1.08 0.00 0.00 178.44 177.07 3df3 n GLU 141 N -4.34 0.09 0.00 1.13 1.02 0.93 -2.00 120.64 117.46 3df3 n GLU 141 Ca 0.09 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3df3 n GLU 141 Cb 0.09 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 3df3 n GLU 141 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3df3 n LYS 142 N -1.99 0.00 -0.33 3.49 0.00 -0.29 -4.63 118.16 114.40 3df3 n LYS 142 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.44 3df3 n LYS 142 Cb 0.27 -0.43 0.35 0.00 0.00 0.00 0.00 35.03 35.22 3df3 n LYS 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3df3 h LEU 143 N 0.00 0.73 -0.85 3.14 3.38 0.15 0.44 115.31 122.29 3df3 h LEU 143 Ca 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3df3 h LEU 143 Cb 0.73 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3df3 h LEU 143 CO 0.00 0.28 -0.03 -0.08 0.09 0.00 0.00 178.44 178.70 3df3 h GLU 144 N 0.72 0.00 -0.50 1.13 4.57 -1.60 0.20 114.58 119.11 3df3 h GLU 144 Ca 0.55 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.67 3df3 h GLU 144 Cb 0.91 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3df3 h GLU 144 CO -0.33 0.03 0.08 -0.91 -1.18 0.00 0.00 179.01 176.70 3df3 h ASN 145 N 0.00 0.73 0.00 1.04 -0.26 -0.30 -2.19 115.58 114.61 3df3 h ASN 145 Ca -0.00 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.50 3df3 h ASN 145 Cb 0.73 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 3df3 h ASN 145 CO 0.00 0.76 -1.35 -1.54 -1.06 0.00 0.00 177.43 174.24 3df3 n SER 146 N -4.26 3.58 0.15 5.81 3.41 -1.18 -4.26 113.62 116.88 3df3 n SER 146 Ca 0.03 -0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3df3 n SER 146 Cb 0.25 0.07 0.27 0.00 -0.26 0.00 0.00 64.21 64.55 3df3 n SER 146 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3df3 h LEU 147 N 0.00 0.00 -0.05 1.04 3.38 -0.76 -3.38 115.31 115.54 3df3 h LEU 147 Ca -0.14 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3df3 h LEU 147 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3df3 h LEU 147 CO -0.01 0.00 -0.25 1.23 0.09 0.00 0.00 178.44 179.50 3df3 h GLY 148 N 4.27 -1.34 -2.85 0.83 0.00 -1.42 0.58 103.07 103.15 3df3 h GLY 148 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3df3 h GLY 148 CO 0.00 -0.41 0.00 0.61 0.00 0.00 0.00 176.54 176.74 3df3 n GLY 149 N -1.20 1.61 0.00 4.60 0.00 -1.26 -2.49 105.19 106.44 3df3 n GLY 149 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3df3 n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df3 n ILE 150 N 1.30 0.00 -0.28 -0.61 3.06 -0.87 -2.23 119.36 119.73 3df3 n ILE 150 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 3df3 n ILE 150 Cb 0.32 0.00 0.38 0.00 0.54 0.00 0.00 39.64 40.89 3df3 n ILE 150 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 3df3 h LYS 151 N 0.00 0.66 -0.05 9.51 2.10 0.47 0.29 116.57 129.54 3df3 h LYS 151 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3df3 h LYS 151 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 3df3 h LYS 151 CO 0.00 0.43 0.00 -0.25 -2.00 0.00 0.00 179.45 177.63 3df3 n ASP 152 N -4.58 0.82 -4.76 7.07 8.00 -1.26 -4.84 116.55 117.00 3df3 n ASP 152 Ca 0.19 -1.44 -0.40 0.00 0.71 0.00 0.00 54.79 53.85 3df3 n ASP 152 Cb 0.51 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 3df3 n ASP 152 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3df3 s MET 153 N -1.94 4.45 -0.83 -1.24 1.75 0.10 -5.00 119.30 116.60 3df3 s MET 153 Ca 0.35 0.99 0.02 0.00 -1.25 0.00 0.00 55.69 55.80 3df3 s MET 153 Cb 0.18 -3.34 0.31 0.00 2.84 0.00 0.00 34.83 34.82 3df3 s MET 153 CO 0.29 0.36 1.32 0.41 -0.65 0.00 0.00 175.02 176.74 3df3 n GLY 154 N 2.26 5.62 0.00 2.11 0.00 -1.26 -5.02 105.19 108.90 3df3 n GLY 154 Ca -0.04 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.28 3df3 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 155 N 0.24 1.14 3.53 -0.02 0.00 -1.26 -5.04 105.19 103.78 3df3 n GLY 155 Ca 0.36 -2.25 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 3df3 n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df3 n LEU 156 N 0.00 0.92 -4.77 0.99 4.32 -1.26 -4.91 117.00 112.30 3df3 n LEU 156 Ca 0.00 1.11 -0.36 0.00 -0.02 0.00 0.00 56.01 56.74 3df3 n LEU 156 Cb 0.00 -1.20 0.01 0.00 -1.62 0.00 0.00 43.42 40.61 3df3 n LEU 156 CO 0.00 -1.99 0.82 -2.16 -1.22 0.00 0.00 177.39 172.84 3df3 s PRO 157 N -1.48 3.33 0.38 3.23 0.04 -1.26 -4.92 135.00 134.32 3df3 s PRO 157 Ca 0.61 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.46 3df3 s PRO 157 Cb -0.72 -2.08 0.83 0.00 0.04 0.00 0.00 34.50 32.57 3df3 s PRO 157 CO 0.59 -0.89 1.95 -0.44 0.04 0.00 0.00 177.00 178.24 3df3 h ASP 158 N 1.31 0.59 0.00 6.66 3.45 -1.79 -3.46 116.42 123.17 3df3 h ASP 158 Ca -0.50 0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.97 3df3 h ASP 158 Cb 1.27 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3df3 h ASP 158 CO 0.57 0.36 0.00 0.00 -1.57 0.00 0.00 179.24 178.60 3df3 n ALA 159 N -2.46 0.00 -3.57 3.45 0.00 -1.12 -4.80 120.51 112.00 3df3 n ALA 159 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 3df3 n ALA 159 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 3df3 n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3df3 s LEU 160 N 0.00 -0.24 -0.30 0.00 0.20 -1.23 -3.95 118.68 113.17 3df3 s LEU 160 Ca 0.00 -0.06 -0.08 0.00 0.69 0.00 0.00 54.13 54.68 3df3 s LEU 160 Cb 0.00 1.76 0.18 0.00 -0.43 0.00 0.00 46.19 47.70 3df3 s LEU 160 CO 0.00 -0.49 0.84 0.12 -0.29 0.00 0.00 176.35 176.53 3df3 s PHE 161 N -2.83 -1.02 0.13 5.38 2.19 0.20 -3.85 117.98 118.17 3df3 s PHE 161 Ca 0.08 1.18 0.09 0.00 0.33 0.00 0.00 56.93 58.61 3df3 s PHE 161 Cb -0.00 0.39 -0.04 0.00 -1.31 0.00 0.00 43.02 42.06 3df3 s PHE 161 CO -0.06 -0.55 -0.17 0.54 1.83 0.00 0.00 175.22 176.81 3df3 s VAL 162 N 2.86 2.91 0.01 3.12 0.11 -0.70 -0.60 120.40 128.11 3df3 s VAL 162 Ca 0.07 -1.52 -0.14 0.00 -2.93 0.00 0.00 61.98 57.46 3df3 s VAL 162 Cb -0.12 -2.35 -0.08 0.00 -1.53 0.00 0.00 36.38 32.30 3df3 s VAL 162 CO -0.16 0.07 0.98 -0.29 -3.33 0.00 0.00 175.10 172.36 3df3 h ILE 163 N 3.42 0.00 -3.29 7.04 6.09 -1.78 -3.20 117.51 125.79 3df3 h ILE 163 Ca -0.49 -0.11 -0.46 0.00 -1.37 0.00 0.00 64.86 62.42 3df3 h ILE 163 Cb 1.17 0.00 -0.37 0.00 0.47 0.00 0.00 36.82 38.10 3df3 h ILE 163 CO 0.47 0.00 -0.78 -0.62 -3.07 0.00 0.00 178.15 174.15 3df3 s ASP 164 N -3.25 1.64 0.20 2.19 2.15 -1.26 -0.33 116.67 118.00 3df3 s ASP 164 Ca -0.07 -0.17 -0.06 0.00 0.43 0.00 0.00 52.55 52.68 3df3 s ASP 164 Cb 0.01 -0.59 0.13 0.00 -0.30 0.00 0.00 42.92 42.17 3df3 s ASP 164 CO 0.22 -0.13 1.59 0.00 -0.17 0.00 0.00 175.17 176.68 3df3 h ALA 165 N 7.94 0.80 -0.33 3.66 0.00 -1.90 -2.68 119.26 126.74 3df3 h ALA 165 Ca -0.27 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.33 3df3 h ALA 165 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3df3 h ALA 165 CO 0.36 0.65 0.47 0.22 0.00 0.00 0.00 179.25 180.95 3df3 h ASP 166 N 0.68 0.00 0.00 0.00 1.82 -1.91 0.41 116.42 117.41 3df3 h ASP 166 Ca 0.08 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.39 3df3 h ASP 166 Cb 0.82 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.77 3df3 h ASP 166 CO 0.07 0.00 -2.24 1.57 -1.61 0.00 0.00 179.24 177.03 3df3 n HIS 167 N -3.47 0.00 -0.23 0.28 -0.00 -1.19 -4.42 115.22 106.19 3df3 n HIS 167 Ca 0.06 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.21 3df3 n HIS 167 Cb 0.61 -0.85 0.20 0.00 -0.12 0.00 0.00 29.99 29.84 3df3 n HIS 167 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3df3 n GLU 168 N -3.04 2.82 -0.29 1.57 -0.58 -0.74 -4.65 120.64 115.73 3df3 n GLU 168 Ca -0.37 -1.90 -0.01 0.00 -0.42 0.00 0.00 57.16 54.46 3df3 n GLU 168 Cb 0.95 -1.88 0.03 0.00 -0.57 0.00 0.00 31.44 29.96 3df3 n GLU 168 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3df3 n HIS 169 N 0.07 0.02 -0.21 -0.32 1.44 0.13 0.36 115.22 116.71 3df3 n HIS 169 Ca 0.24 0.92 0.01 0.00 -2.01 0.00 0.00 57.72 56.88 3df3 n HIS 169 Cb 0.97 -0.78 0.10 0.00 0.12 0.00 0.00 29.99 30.40 3df3 n HIS 169 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3df3 h ILE 170 N 0.00 0.45 0.15 0.61 1.08 -1.86 -1.90 117.51 116.04 3df3 h ILE 170 Ca 0.26 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.71 3df3 h ILE 170 Cb 0.45 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 3df3 h ILE 170 CO -0.74 0.02 -0.24 0.00 -0.69 0.00 0.00 178.15 176.49 3df3 h ALA 171 N 1.59 -0.43 -0.42 1.87 0.00 -0.47 -2.34 119.26 119.07 3df3 h ALA 171 Ca 0.33 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3df3 h ALA 171 Cb 0.53 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 3df3 h ALA 171 CO -0.57 -0.78 -0.18 0.82 0.00 0.00 0.00 179.25 178.54 3df3 h ILE 172 N -0.46 0.44 -0.08 0.00 5.03 -1.07 -1.96 117.51 119.41 3df3 h ILE 172 Ca 0.02 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.79 3df3 h ILE 172 Cb 0.47 0.44 -0.04 0.00 -3.03 0.00 0.00 36.82 34.65 3df3 h ILE 172 CO -0.12 0.00 -0.14 0.50 -0.68 0.00 0.00 178.15 177.71 3df3 h LYS 173 N -0.10 -0.19 -0.42 2.37 3.11 -1.20 -1.47 116.57 118.67 3df3 h LYS 173 Ca 0.20 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.15 3df3 h LYS 173 Cb 0.41 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 3df3 h LYS 173 CO -0.48 -0.12 0.29 0.93 -2.81 0.00 0.00 179.45 177.26 3df3 h GLU 174 N -0.19 0.15 0.00 1.90 5.08 -0.98 -0.84 114.58 119.71 3df3 h GLU 174 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3df3 h GLU 174 Cb 0.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3df3 h GLU 174 CO -0.20 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 177.92 3df3 n ALA 175 N -2.57 -0.19 0.05 3.43 0.00 -0.61 -2.83 120.51 117.78 3df3 n ALA 175 Ca 0.06 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.72 3df3 n ALA 175 Cb 0.38 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.56 3df3 n ALA 175 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3df3 h ASN 176 N 0.00 0.00 0.31 0.00 7.08 -1.40 0.58 115.58 122.15 3df3 h ASN 176 Ca 0.00 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.13 3df3 h ASN 176 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 3df3 h ASN 176 CO 0.00 0.00 -0.39 -1.13 -2.08 0.00 0.00 177.43 173.83 3df3 h ASN 177 N 0.00 0.11 0.58 6.14 -0.73 -1.21 -2.68 115.58 117.79 3df3 h ASN 177 Ca 0.24 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.36 3df3 h ASN 177 Cb 1.25 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.81 3df3 h ASN 177 CO -0.00 0.49 -1.37 0.18 -0.37 0.00 0.00 177.43 176.36 3df3 n LEU 178 N -4.06 0.52 -0.08 0.34 4.77 0.17 -4.98 117.00 113.68 3df3 n LEU 178 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3df3 n LEU 178 Cb 0.44 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3df3 n LEU 178 CO 0.40 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3df3 n GLY 179 N 1.23 0.74 3.32 -0.72 0.00 0.53 -5.10 105.19 105.19 3df3 n GLY 179 Ca -0.01 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3df3 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df3 s ILE 180 N -1.64 3.28 0.45 -0.61 -1.09 -0.78 -4.95 121.20 115.86 3df3 s ILE 180 Ca 0.00 -0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 57.66 3df3 s ILE 180 Cb 0.00 -2.47 -0.10 0.00 -1.58 0.00 0.00 42.46 38.31 3df3 s ILE 180 CO 0.00 0.45 0.83 -2.65 -1.23 0.00 0.00 174.94 172.34 3df3 n PRO 181 N 4.50 0.99 -4.97 2.79 -0.02 -1.26 -3.80 135.00 133.22 3df3 n PRO 181 Ca -0.18 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.37 3df3 n PRO 181 Cb 0.51 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 3df3 n PRO 181 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3df3 s VAL 182 N -1.39 1.70 -0.29 -1.45 1.01 -1.26 -3.50 120.40 115.21 3df3 s VAL 182 Ca 0.65 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3df3 s VAL 182 Cb -0.55 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.43 3df3 s VAL 182 CO 0.56 0.48 0.04 -0.36 0.00 0.00 0.00 175.10 175.82 3df3 s PHE 183 N 0.43 2.22 0.18 5.22 0.40 -1.25 -2.13 117.98 123.05 3df3 s PHE 183 Ca -0.16 -1.91 0.10 0.00 -0.60 0.00 0.00 56.93 54.36 3df3 s PHE 183 Cb -0.17 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 3df3 s PHE 183 CO 0.07 -0.84 -0.22 0.00 0.70 0.00 0.00 175.22 174.93 3df3 s ALA 184 N 1.44 2.30 -0.75 5.36 0.00 -1.17 -1.72 121.76 127.23 3df3 s ALA 184 Ca 0.05 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.46 3df3 s ALA 184 Cb -0.18 -0.27 0.36 0.00 0.00 0.00 0.00 23.12 23.03 3df3 s ALA 184 CO -0.15 0.35 1.59 -0.89 0.00 0.00 0.00 175.76 176.66 3df3 n ILE 185 N 0.32 3.81 -2.30 0.00 5.41 0.55 -1.00 119.36 126.15 3df3 n ILE 185 Ca -0.13 -5.05 -0.38 0.00 1.00 0.00 0.00 62.75 58.19 3df3 n ILE 185 Cb 0.56 -1.34 -0.02 0.00 -0.71 0.00 0.00 39.64 38.13 3df3 n ILE 185 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3df3 s VAL 186 N -4.93 3.17 0.00 1.39 -7.23 -1.24 -4.00 120.40 107.57 3df3 s VAL 186 Ca 0.48 0.94 0.06 0.00 -1.81 0.00 0.00 61.98 61.65 3df3 s VAL 186 Cb 0.35 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 3df3 s VAL 186 CO -0.25 0.05 -0.19 1.51 -0.31 0.00 0.00 175.10 175.91 3df3 s ASP 187 N -1.23 2.26 0.00 4.85 -4.77 -1.23 -2.69 116.67 113.86 3df3 s ASP 187 Ca 0.59 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 3df3 s ASP 187 Cb -0.29 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.31 3df3 s ASP 187 CO 0.37 0.20 0.00 0.35 0.70 0.00 0.00 175.17 176.79 3df3 n THR 188 N 2.38 0.00 -1.16 2.11 -2.24 -1.26 -3.51 114.28 110.59 3df3 n THR 188 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3df3 n THR 188 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3df3 n THR 188 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3df3 n ASN 189 N 0.48 2.42 -3.60 3.42 6.94 -1.26 -3.65 115.26 120.02 3df3 n ASN 189 Ca 0.00 -2.67 -0.14 0.00 -0.02 0.00 0.00 54.58 51.76 3df3 n ASN 189 Cb 0.00 -1.11 -0.07 0.00 -2.36 0.00 0.00 39.78 36.25 3df3 n ASN 189 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3df3 s SER 190 N 5.28 -0.65 -0.52 0.53 0.01 -1.23 -4.80 113.70 112.32 3df3 s SER 190 Ca 0.59 1.09 -0.24 0.00 1.31 0.00 0.00 55.95 58.71 3df3 s SER 190 Cb 0.13 1.05 0.04 0.00 0.21 0.00 0.00 66.02 67.45 3df3 s SER 190 CO 0.14 -0.33 0.91 -0.62 0.41 0.00 0.00 173.24 173.75 3df3 s ASP 191 N -0.15 6.37 0.39 2.44 -1.08 -1.26 -4.59 116.67 118.79 3df3 s ASP 191 Ca -0.02 -0.26 0.21 0.00 -0.52 0.00 0.00 52.55 51.95 3df3 s ASP 191 Cb -0.03 -2.43 0.56 0.00 -1.46 0.00 0.00 42.92 39.56 3df3 s ASP 191 CO 0.02 -1.15 1.67 1.55 0.52 0.00 0.00 175.17 177.78 3df3 h PRO 192 N 9.23 0.00 -0.14 4.34 0.13 -1.93 -3.23 132.00 140.39 3df3 h PRO 192 Ca -0.26 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3df3 h PRO 192 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3df3 h PRO 192 CO 1.06 0.29 0.28 -0.44 -0.23 0.00 0.00 178.00 178.96 3df3 h ASP 193 N 0.00 0.00 0.31 1.44 3.32 -1.96 0.37 116.42 119.89 3df3 h ASP 193 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3df3 h ASP 193 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3df3 h ASP 193 CO 0.04 0.00 -0.06 0.61 -1.72 0.00 0.00 179.24 178.11 3df3 n GLY 194 N -1.31 -0.95 3.14 2.75 0.00 -1.22 -4.77 105.19 102.82 3df3 n GLY 194 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3df3 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df3 s VAL 195 N -2.37 1.55 -0.96 1.61 1.01 0.13 -4.92 120.40 116.46 3df3 s VAL 195 Ca 0.33 -0.76 0.26 0.00 0.00 0.00 0.00 61.98 61.81 3df3 s VAL 195 Cb 0.21 -1.35 0.10 0.00 0.00 0.00 0.00 36.38 35.34 3df3 s VAL 195 CO 0.44 0.44 1.60 -0.90 0.00 0.00 0.00 175.10 176.69 3df3 n ASP 196 N 3.32 0.35 -3.41 3.32 5.68 -1.22 -4.40 116.55 120.20 3df3 n ASP 196 Ca -0.19 0.09 -0.27 0.00 -0.50 0.00 0.00 54.79 53.91 3df3 n ASP 196 Cb 0.53 -0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 40.33 3df3 n ASP 196 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3df3 s PHE 197 N -3.02 1.11 0.18 2.11 0.08 -0.91 -5.01 117.98 112.53 3df3 s PHE 197 Ca 0.12 -2.29 -0.30 0.00 0.12 0.00 0.00 56.93 54.58 3df3 s PHE 197 Cb 0.17 -0.96 -0.08 0.00 -0.57 0.00 0.00 43.02 41.59 3df3 s PHE 197 CO 0.64 -0.82 0.94 0.08 -0.10 0.00 0.00 175.22 175.96 3df3 s VAL 198 N 0.11 4.27 -0.51 -0.44 1.01 -1.26 -3.02 120.40 120.57 3df3 s VAL 198 Ca 0.31 2.07 0.04 0.00 0.00 0.00 0.00 61.98 64.40 3df3 s VAL 198 Cb 0.01 -4.32 0.16 0.00 0.00 0.00 0.00 36.38 32.23 3df3 s VAL 198 CO -0.18 0.42 0.37 -0.63 0.00 0.00 0.00 175.10 175.08 3df3 s ILE 199 N -0.65 1.37 -0.26 2.22 1.01 -0.17 -4.94 121.20 119.78 3df3 s ILE 199 Ca 0.43 -3.13 -0.34 0.00 0.00 0.00 0.00 60.65 57.62 3df3 s ILE 199 Cb -0.25 -1.92 -0.10 0.00 0.01 0.00 0.00 42.46 40.19 3df3 s ILE 199 CO 0.31 -1.09 2.10 -0.81 0.00 0.00 0.00 174.94 175.45 3df3 n PRO 200 N 2.73 1.51 -3.53 2.79 -0.04 -1.25 -3.71 135.00 133.51 3df3 n PRO 200 Ca 0.22 0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3df3 n PRO 200 Cb 0.41 -2.64 -0.04 0.00 -0.04 0.00 0.00 33.50 31.18 3df3 n PRO 200 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3df3 s GLY 201 N 6.57 -0.44 -0.42 0.55 0.00 -1.09 -4.89 107.32 107.61 3df3 s GLY 201 Ca 1.03 1.46 -0.44 0.00 0.00 0.00 0.00 44.72 46.77 3df3 s GLY 201 CO 0.48 0.79 1.47 -2.01 0.00 0.00 0.00 173.10 173.83 3df3 n ASN 202 N 0.48 1.01 0.04 1.64 5.15 -1.26 -3.55 115.26 118.77 3df3 n ASN 202 Ca -0.13 1.14 0.03 0.00 -0.60 0.00 0.00 54.58 55.02 3df3 n ASN 202 Cb 0.59 -0.85 0.14 0.00 -0.53 0.00 0.00 39.78 39.13 3df3 n ASN 202 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3df3 n ASP 203 N 3.53 0.13 0.00 1.20 5.68 -1.26 -4.62 116.55 121.21 3df3 n ASP 203 Ca 0.28 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 3df3 n ASP 203 Cb -0.04 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 3df3 n ASP 203 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3df3 n ASP 204 N -1.67 0.00 -2.14 -1.12 2.03 -1.26 -4.70 116.55 107.69 3df3 n ASP 204 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3df3 n ASP 204 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3df3 n ASP 204 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3df3 n ALA 205 N -3.00 -2.06 -0.32 -1.67 0.00 -1.26 -2.68 120.51 109.51 3df3 n ALA 205 Ca 0.00 0.47 0.31 0.00 0.00 0.00 0.00 53.44 54.21 3df3 n ALA 205 Cb 0.00 -1.42 0.57 0.00 0.00 0.00 0.00 19.45 18.60 3df3 n ALA 205 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3df3 h ILE 206 N 4.16 0.05 0.00 0.00 1.08 -1.99 -1.39 117.51 119.42 3df3 h ILE 206 Ca 0.00 -0.02 -0.10 0.00 -0.39 0.00 0.00 64.86 64.35 3df3 h ILE 206 Cb 0.00 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 3df3 h ILE 206 CO 0.00 0.01 -0.61 -0.09 -0.69 0.00 0.00 178.15 176.77 3df3 h ARG 207 N 0.05 0.00 -1.06 2.37 9.65 -1.84 -3.28 114.38 120.27 3df3 h ARG 207 Ca 0.83 0.00 0.34 0.00 -1.10 0.00 0.00 59.98 60.06 3df3 h ARG 207 Cb 2.15 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 30.59 3df3 h ARG 207 CO -0.75 0.79 0.63 0.00 2.80 0.00 0.00 179.97 183.44 3df3 h ALA 208 N -0.42 2.13 0.21 2.80 0.00 -1.40 0.68 119.26 123.26 3df3 h ALA 208 Ca -0.15 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3df3 h ALA 208 Cb 0.98 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3df3 h ALA 208 CO -0.09 -0.75 -0.10 -0.39 0.00 0.00 0.00 179.25 177.92 3df3 h VAL 209 N 0.26 0.00 -0.52 0.00 -1.51 -1.08 -3.20 116.25 110.20 3df3 h VAL 209 Ca 0.75 -0.34 0.05 0.00 -1.23 0.00 0.00 66.70 65.93 3df3 h VAL 209 Cb 1.86 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 3df3 h VAL 209 CO -0.56 0.00 0.35 0.71 -1.23 0.00 0.00 177.57 176.84 3df3 h THR 210 N -0.63 1.00 0.00 7.19 1.35 -1.51 -1.09 112.91 119.21 3df3 h THR 210 Ca -0.03 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3df3 h THR 210 Cb 0.22 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 3df3 h THR 210 CO 0.05 0.09 0.00 -0.11 -0.25 0.00 0.00 175.52 175.30 3df3 n LEU 211 N -4.47 0.00 0.29 3.87 -0.00 0.23 -2.40 117.00 114.52 3df3 n LEU 211 Ca 0.07 0.74 0.14 0.00 -0.00 0.00 0.00 56.01 56.96 3df3 n LEU 211 Cb 0.22 -0.24 0.86 0.00 -0.00 0.00 0.00 43.42 44.27 3df3 n LEU 211 CO 0.34 -0.24 1.08 0.22 -0.00 0.00 0.00 177.39 178.80 3df3 h TYR 212 N 0.00 0.00 0.18 1.96 3.20 -1.57 0.38 116.97 121.12 3df3 h TYR 212 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3df3 h TYR 212 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3df3 h TYR 212 CO -0.01 0.04 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.30 3df3 h LEU 213 N 0.00 -0.47 -0.94 2.82 3.38 -1.09 0.27 115.31 119.27 3df3 h LEU 213 Ca -0.00 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3df3 h LEU 213 Cb 0.09 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3df3 h LEU 213 CO 0.00 -0.23 -0.41 1.23 0.09 0.00 0.00 178.44 179.13 3df3 h GLY 214 N -0.35 0.00 1.00 0.83 0.00 -1.38 -1.31 103.07 101.87 3df3 h GLY 214 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3df3 h GLY 214 CO -0.02 0.00 0.28 0.00 0.00 0.00 0.00 176.54 176.80 3df3 h ALA 215 N 1.59 0.55 0.11 3.60 0.00 -0.69 -0.97 119.26 123.45 3df3 h ALA 215 Ca -0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 3df3 h ALA 215 Cb 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3df3 h ALA 215 CO 0.05 0.01 -1.18 -0.39 0.00 0.00 0.00 179.25 177.74 3df3 h VAL 216 N 0.59 1.48 -0.11 0.00 -1.51 -0.38 -3.18 116.25 113.14 3df3 h VAL 216 Ca 0.16 -2.95 0.03 0.00 -1.23 0.00 0.00 66.70 62.71 3df3 h VAL 216 Cb -0.05 2.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.95 3df3 h VAL 216 CO -0.03 0.86 0.10 0.00 -1.23 0.00 0.00 177.57 177.27 3df3 h ALA 217 N 0.62 1.82 0.14 5.19 0.00 -0.94 -2.90 119.26 123.18 3df3 h ALA 217 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3df3 h ALA 217 Cb 1.89 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 3df3 h ALA 217 CO 0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 3df3 h ALA 218 N 1.90 -0.94 0.00 0.00 0.00 -1.16 1.08 119.26 120.14 3df3 h ALA 218 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3df3 h ALA 218 Cb 0.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3df3 h ALA 218 CO -0.00 -0.93 0.00 0.25 0.00 0.00 0.00 179.25 178.57 3df3 n THR 219 N -2.79 0.31 -0.09 0.00 -2.24 -1.11 0.16 114.28 108.52 3df3 n THR 219 Ca -0.03 0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3df3 n THR 219 Cb 0.09 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 3df3 n THR 219 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3df3 n VAL 220 N -1.08 1.09 -0.11 2.28 0.31 -0.67 -3.76 118.33 116.38 3df3 n VAL 220 Ca 0.01 -0.47 -0.21 0.00 -0.01 0.00 0.00 64.34 63.66 3df3 n VAL 220 Cb 0.01 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 3df3 n VAL 220 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3df3 n ARG 221 N -2.96 0.52 0.09 5.55 1.85 0.36 -4.36 116.66 117.72 3df3 n ARG 221 Ca -0.32 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 56.83 3df3 n ARG 221 Cb 0.89 -1.38 0.22 0.00 -1.05 0.00 0.00 32.46 31.15 3df3 n ARG 221 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3df3 h GLU 222 N -0.49 0.00 -0.00 2.89 4.39 0.14 -3.29 114.58 118.21 3df3 h GLU 222 Ca -0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3df3 h GLU 222 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 3df3 h GLU 222 CO -0.24 0.00 -0.08 0.41 -1.16 0.00 0.00 179.01 177.94 3df3 n GLY 223 N 1.29 -0.94 3.45 -3.84 0.00 0.17 -4.58 105.19 100.74 3df3 n GLY 223 Ca 0.04 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3df3 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df3 n ARG 224 N -0.95 3.25 -0.50 1.61 1.74 -1.24 -4.72 116.66 115.85 3df3 n ARG 224 Ca 0.15 -3.44 0.00 0.00 -0.77 0.00 0.00 57.85 53.79 3df3 n ARG 224 Cb 0.26 -3.30 0.00 0.00 -1.02 0.00 0.00 32.46 28.40 3df3 n ARG 224 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54