#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 h LEU 9 N 0.00 -0.06 -2.19 3.17 4.07 -2.04 -0.13 115.31 118.14 3df1 h LEU 9 Ca 0.00 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.10 3df1 h LEU 9 Cb 0.00 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3df1 h LEU 9 CO 0.00 0.00 0.27 0.11 -1.08 0.00 0.00 178.44 177.74 3df1 h LYS 10 N 0.18 0.00 0.00 1.13 1.57 -2.05 -1.75 116.57 115.65 3df1 h LYS 10 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3df1 h LYS 10 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3df1 h LYS 10 CO -0.31 0.00 0.27 0.00 -0.57 0.00 0.00 179.45 178.84 3df1 n ALA 11 N -2.23 0.63 0.71 3.86 0.00 -0.06 -1.68 120.51 121.75 3df1 n ALA 11 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3df1 n ALA 11 Cb 0.38 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3df1 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 12 N -1.28 1.22 2.66 0.00 0.00 -0.66 -3.43 105.19 103.69 3df1 n GLY 12 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3df1 n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df1 n VAL 13 N 0.35 1.32 0.00 1.61 0.31 -0.68 -4.84 118.33 116.41 3df1 n VAL 13 Ca 0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 64.34 61.04 3df1 n VAL 13 Cb 0.25 0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 3df1 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df1 n HIS 14 N -0.32 0.00 0.00 3.52 1.44 -1.22 -3.88 115.22 114.76 3df1 n HIS 14 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 3df1 n HIS 14 Cb 0.81 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.92 3df1 n HIS 14 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 3df1 n PHE 15 N -0.06 0.00 -1.88 -1.40 1.16 -1.24 -4.54 117.46 109.50 3df1 n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3df1 n PHE 15 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3df1 n PHE 15 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3df1 n GLY 16 N 0.00 1.07 3.80 4.97 0.00 -1.26 -4.11 105.19 109.66 3df1 n GLY 16 Ca 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.09 3df1 n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3df1 s HIS 17 N 0.93 -0.00 0.18 1.61 2.46 -1.25 -4.74 115.29 114.48 3df1 s HIS 17 Ca 0.00 -0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.42 3df1 s HIS 17 Cb 0.00 0.56 0.00 0.00 -0.13 0.00 0.00 32.58 33.01 3df1 s HIS 17 CO 0.00 -0.28 0.00 1.04 -2.47 0.00 0.00 174.74 173.03 3df1 n GLN 18 N -0.70 -4.16 0.00 2.88 3.00 -1.26 -3.93 117.38 113.21 3df1 n GLN 18 Ca -0.03 3.06 0.00 0.00 -0.01 0.00 0.00 57.00 60.02 3df1 n GLN 18 Cb 0.61 -3.18 0.00 0.00 0.00 0.00 0.00 30.24 27.67 3df1 n GLN 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 3df1 n THR 19 N 1.24 0.00 -2.15 5.09 5.66 -1.26 -1.35 114.28 121.50 3df1 n THR 19 Ca 0.00 0.71 0.01 0.00 -3.05 0.00 0.00 64.05 61.72 3df1 n THR 19 Cb 0.00 -1.63 0.01 0.00 -1.55 0.00 0.00 70.33 67.15 3df1 n THR 19 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3df1 n ARG 20 N -0.24 0.01 0.03 1.09 5.12 -1.26 -2.52 116.66 118.89 3df1 n ARG 20 Ca 0.00 -1.33 -0.21 0.00 -1.93 0.00 0.00 57.85 54.38 3df1 n ARG 20 Cb 0.00 -0.35 -0.14 0.00 -1.16 0.00 0.00 32.46 30.81 3df1 n ARG 20 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3df1 h TYR 21 N 0.32 0.51 0.00 -1.55 0.05 -1.98 -3.48 116.97 110.84 3df1 h TYR 21 Ca -0.07 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3df1 h TYR 21 Cb 1.55 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.27 3df1 h TYR 21 CO 0.13 1.46 0.00 -2.67 -1.05 0.00 0.00 178.16 176.03 3df1 n TRP 22 N -3.99 0.00 -3.33 4.88 4.27 -1.26 -4.88 117.44 113.12 3df1 n TRP 22 Ca -0.20 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.43 3df1 n TRP 22 Cb 0.88 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.79 3df1 n TRP 22 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3df1 s ASN 23 N -0.77 -0.21 0.00 -0.67 3.04 -1.24 -4.20 114.94 110.90 3df1 s ASN 23 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 52.86 53.19 3df1 s ASN 23 Cb 0.00 1.21 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 3df1 s ASN 23 CO 0.00 -0.04 0.25 -2.65 -3.04 0.00 0.00 177.10 171.61 3df1 n PRO 24 N 4.36 0.00 -0.04 0.43 -0.02 -1.26 -0.34 135.00 138.13 3df1 n PRO 24 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 3df1 n PRO 24 Cb 0.55 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.45 3df1 n PRO 24 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3df1 n LYS 25 N -0.72 0.67 -0.09 -0.52 5.02 -1.26 -4.10 118.16 117.17 3df1 n LYS 25 Ca 0.00 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 3df1 n LYS 25 Cb 0.00 -1.70 0.35 0.00 -0.02 0.00 0.00 35.03 33.66 3df1 n LYS 25 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3df1 n MET 26 N -3.11 1.90 -0.21 1.97 2.81 0.54 -4.41 117.12 116.60 3df1 n MET 26 Ca -0.26 -1.35 0.01 0.00 -1.81 0.00 0.00 57.70 54.29 3df1 n MET 26 Cb 1.07 -1.43 0.12 0.00 -0.71 0.00 0.00 33.22 32.26 3df1 n MET 26 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3df1 h LYS 27 N 2.80 0.43 -0.03 0.03 3.11 -1.70 -1.50 116.57 119.71 3df1 h LYS 27 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 3df1 h LYS 27 Cb 0.61 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3df1 h LYS 27 CO 0.00 0.28 0.00 -2.30 -2.81 0.00 0.00 179.45 174.62 3df1 n PRO 28 N -4.97 0.12 -2.71 1.90 -0.02 -1.26 -2.49 135.00 125.56 3df1 n PRO 28 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 3df1 n PRO 28 Cb 0.28 -1.02 0.04 0.00 -0.02 0.00 0.00 33.50 32.79 3df1 n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3df1 n PHE 29 N -0.25 1.24 -3.85 6.00 3.72 -0.56 -5.01 117.46 118.74 3df1 n PHE 29 Ca 0.00 -2.56 -0.28 0.00 -0.05 0.00 0.00 57.45 54.56 3df1 n PHE 29 Cb 0.01 -0.32 -0.16 0.00 -0.94 0.00 0.00 39.48 38.06 3df1 n PHE 29 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3df1 s ILE 30 N -3.41 0.97 0.04 4.37 1.01 -1.04 -1.64 121.20 121.51 3df1 s ILE 30 Ca 0.28 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 60.03 3df1 s ILE 30 Cb 0.41 -1.23 -0.17 0.00 0.01 0.00 0.00 42.46 41.48 3df1 s ILE 30 CO 0.01 0.03 1.42 0.15 0.00 0.00 0.00 174.94 176.56 3df1 h PHE 31 N 8.14 -0.42 -0.58 3.97 -0.00 0.61 -3.41 116.94 125.25 3df1 h PHE 31 Ca -0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.75 3df1 h PHE 31 Cb 1.11 0.14 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 3df1 h PHE 31 CO 0.42 -0.14 0.00 0.41 -0.00 0.00 0.00 178.31 179.00 3df1 n GLY 32 N -0.73 3.49 1.65 2.40 0.00 -1.06 -4.95 105.19 105.99 3df1 n GLY 32 Ca -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 3df1 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 n ALA 33 N -3.00 3.37 -1.21 4.61 0.00 -1.26 0.78 120.51 123.80 3df1 n ALA 33 Ca 0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 53.44 52.13 3df1 n ALA 33 Cb 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 19.45 18.99 3df1 n ALA 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3df1 n ARG 34 N -0.51 0.24 -4.30 0.00 1.85 -1.18 -2.47 116.66 110.28 3df1 n ARG 34 Ca -0.22 0.12 -0.33 0.00 -1.00 0.00 0.00 57.85 56.43 3df1 n ARG 34 Cb 0.79 -1.84 -0.08 0.00 -1.05 0.00 0.00 32.46 30.28 3df1 n ARG 34 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3df1 n ASN 35 N -0.42 0.02 0.00 2.89 4.05 -1.26 -2.95 115.26 117.59 3df1 n ASN 35 Ca 0.10 -1.22 0.00 0.00 0.45 0.00 0.00 54.58 53.91 3df1 n ASN 35 Cb 0.50 -1.87 0.00 0.00 1.23 0.00 0.00 39.78 39.64 3df1 n ASN 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3df1 n LYS 36 N -4.45 0.00 -1.58 1.20 5.02 -1.03 -4.93 118.16 112.38 3df1 n LYS 36 Ca -0.22 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.61 3df1 n LYS 36 Cb 0.64 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.63 3df1 n LYS 36 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3df1 n VAL 37 N 0.00 1.63 -0.29 -0.18 3.14 -1.15 -4.66 118.33 116.82 3df1 n VAL 37 Ca 0.00 -0.41 -0.05 0.00 -2.96 0.00 0.00 64.34 60.92 3df1 n VAL 37 Cb 0.00 -0.94 0.05 0.00 -1.06 0.00 0.00 33.84 31.88 3df1 n VAL 37 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3df1 n HIS 38 N 0.66 -2.70 -3.54 1.45 8.25 -0.46 -3.11 115.22 115.77 3df1 n HIS 38 Ca 0.11 -0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 3df1 n HIS 38 Cb 0.30 -0.21 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 3df1 n HIS 38 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3df1 s ILE 39 N -1.27 -0.45 0.01 1.59 -1.09 0.23 -3.78 121.20 116.45 3df1 s ILE 39 Ca 0.12 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 3df1 s ILE 39 Cb -0.02 -0.61 -0.08 0.00 -1.58 0.00 0.00 42.46 40.17 3df1 s ILE 39 CO 0.10 -0.03 1.97 -0.63 -1.23 0.00 0.00 174.94 175.12 3df1 s ILE 40 N 2.44 3.05 -0.89 2.92 1.01 -1.26 0.36 121.20 128.82 3df1 s ILE 40 Ca 0.05 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 3df1 s ILE 40 Cb -0.14 -3.04 -0.15 0.00 0.01 0.00 0.00 42.46 39.14 3df1 s ILE 40 CO -0.12 -0.01 2.27 0.21 0.00 0.00 0.00 174.94 177.30 3df1 s ASN 41 N 4.71 3.93 0.67 3.58 2.47 -0.65 -4.22 114.94 125.43 3df1 s ASN 41 Ca 0.89 -0.36 0.41 0.00 0.42 0.00 0.00 52.86 54.22 3df1 s ASN 41 Cb -0.41 -2.57 2.23 0.00 -1.45 0.00 0.00 41.25 39.05 3df1 s ASN 41 CO 0.40 -3.98 2.27 -0.07 -3.72 0.00 0.00 177.10 172.00 3df1 h LEU 42 N 21.88 0.00 -0.91 3.21 3.38 -1.89 -2.06 115.31 138.91 3df1 h LEU 42 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3df1 h LEU 42 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3df1 h LEU 42 CO 1.04 0.00 -0.34 -0.33 0.09 0.00 0.00 178.44 178.89 3df1 h GLU 43 N 0.00 0.38 -0.02 1.13 5.08 -2.00 -2.60 114.58 116.55 3df1 h GLU 43 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3df1 h GLU 43 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3df1 h GLU 43 CO -0.00 0.68 -0.32 1.17 -1.00 0.00 0.00 179.01 179.54 3df1 n LYS 44 N -4.07 1.55 0.05 2.33 3.00 -0.81 -4.10 118.16 116.12 3df1 n LYS 44 Ca -0.01 -1.22 -0.09 0.00 -0.00 0.00 0.00 58.31 56.99 3df1 n LYS 44 Cb 0.45 -1.43 -0.13 0.00 0.00 0.00 0.00 35.03 33.92 3df1 n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3df1 h THR 45 N 2.92 1.50 -0.30 3.15 2.02 -1.23 -3.33 112.91 117.65 3df1 h THR 45 Ca 0.00 -3.21 -0.00 0.00 0.77 0.00 0.00 66.41 63.96 3df1 h THR 45 Cb 0.78 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 3df1 h THR 45 CO 0.00 0.87 0.17 1.62 0.37 0.00 0.00 175.52 178.55 3df1 h VAL 46 N 0.01 1.12 -0.25 3.16 3.04 -1.62 0.59 116.25 122.30 3df1 h VAL 46 Ca -0.09 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 65.33 3df1 h VAL 46 Cb 1.85 0.80 -0.05 0.00 -2.01 0.00 0.00 31.29 31.88 3df1 h VAL 46 CO 0.13 0.12 -0.08 -0.65 -1.01 0.00 0.00 177.57 176.09 3df1 h PRO 47 N 0.37 -0.02 0.00 4.17 0.11 -1.78 -1.07 132.00 133.78 3df1 h PRO 47 Ca 0.11 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3df1 h PRO 47 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3df1 h PRO 47 CO -0.02 -0.01 -0.17 0.00 -0.21 0.00 0.00 178.00 177.59 3df1 h MET 48 N -0.02 0.00 0.08 1.05 -0.00 -1.63 -2.46 114.93 111.94 3df1 h MET 48 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.84 3df1 h MET 48 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.76 3df1 h MET 48 CO -0.27 0.17 -0.45 0.74 -0.00 0.00 0.00 176.91 177.10 3df1 h PHE 49 N 0.00 -1.29 0.00 -0.10 0.04 0.15 -2.22 116.94 113.53 3df1 h PHE 49 Ca -0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3df1 h PHE 49 Cb 0.78 0.56 0.00 0.00 2.20 0.00 0.00 35.95 39.49 3df1 h PHE 49 CO 0.00 -0.54 -0.04 -2.95 -0.60 0.00 0.00 178.31 174.19 3df1 h ASN 50 N -0.66 0.00 -0.91 2.17 -1.07 -1.56 -3.02 115.58 110.53 3df1 h ASN 50 Ca 0.02 0.00 0.12 0.00 0.07 0.00 0.00 56.30 56.51 3df1 h ASN 50 Cb 0.70 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 36.82 3df1 h ASN 50 CO -0.28 0.34 -0.42 1.21 0.07 0.00 0.00 177.43 178.34 3df1 n GLU 51 N -3.78 -0.28 -0.11 4.14 0.00 -0.93 0.15 120.64 119.83 3df1 n GLU 51 Ca -0.01 1.39 -0.10 0.00 0.00 0.00 0.00 57.16 58.45 3df1 n GLU 51 Cb 0.02 -2.05 -0.02 0.00 0.00 0.00 0.00 31.44 29.39 3df1 n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3df1 h ALA 52 N 0.95 0.45 -0.76 4.31 0.00 -1.59 -2.99 119.26 119.63 3df1 h ALA 52 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3df1 h ALA 52 Cb 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3df1 h ALA 52 CO -0.88 0.07 0.47 1.25 0.00 0.00 0.00 179.25 180.15 3df1 h LEU 53 N 0.41 0.90 -0.80 0.00 5.85 -0.19 -2.73 115.31 118.75 3df1 h LEU 53 Ca 0.11 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.90 3df1 h LEU 53 Cb 0.21 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 3df1 h LEU 53 CO -0.01 0.69 0.41 0.00 -0.34 0.00 0.00 178.44 179.19 3df1 h ALA 54 N 1.25 1.16 -0.64 1.25 0.00 0.16 -0.89 119.26 121.56 3df1 h ALA 54 Ca 0.27 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.38 3df1 h ALA 54 Cb -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3df1 h ALA 54 CO -0.05 -0.06 0.43 0.93 0.00 0.00 0.00 179.25 180.50 3df1 h GLU 55 N 0.63 0.32 -0.36 0.00 4.39 -1.39 -0.99 114.58 117.18 3df1 h GLU 55 Ca 0.42 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3df1 h GLU 55 Cb 0.53 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3df1 h GLU 55 CO -0.32 0.21 0.23 -0.07 -1.16 0.00 0.00 179.01 177.90 3df1 h LEU 56 N 0.33 0.43 -1.18 1.33 4.07 -1.22 -2.12 115.31 116.96 3df1 h LEU 56 Ca 0.30 -0.03 0.22 0.00 0.08 0.00 0.00 57.88 58.45 3df1 h LEU 56 Cb 0.73 -0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.26 3df1 h LEU 56 CO -0.08 0.33 0.62 -1.13 -1.08 0.00 0.00 178.44 177.11 3df1 h ASN 57 N 0.48 0.62 0.00 -0.43 -0.73 -1.20 -0.94 115.58 113.39 3df1 h ASN 57 Ca 0.13 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.39 3df1 h ASN 57 Cb -0.03 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.55 3df1 h ASN 57 CO -0.03 0.18 0.00 0.29 -0.37 0.00 0.00 177.43 177.50 3df1 n LYS 58 N -4.71 0.00 0.06 6.67 4.76 -0.79 -0.32 118.16 123.83 3df1 n LYS 58 Ca 0.24 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.91 3df1 n LYS 58 Cb 0.70 -0.63 0.58 0.00 -1.84 0.00 0.00 35.03 33.84 3df1 n LYS 58 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3df1 h ILE 59 N 0.00 0.93 -0.33 -0.18 5.03 -1.69 -0.22 117.51 121.05 3df1 h ILE 59 Ca 0.00 -0.07 0.10 0.00 -0.12 0.00 0.00 64.86 64.77 3df1 h ILE 59 Cb 0.00 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 34.48 3df1 h ILE 59 CO 0.00 0.04 0.31 0.00 -0.68 0.00 0.00 178.15 177.81 3df1 h ALA 60 N 1.81 2.10 -0.05 1.87 0.00 -0.66 -1.25 119.26 123.08 3df1 h ALA 60 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3df1 h ALA 60 Cb 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3df1 h ALA 60 CO -0.03 -0.48 0.03 0.77 0.00 0.00 0.00 179.25 179.54 3df1 h SER 61 N 0.00 0.05 -1.81 0.00 0.02 0.12 -2.55 113.55 109.38 3df1 h SER 61 Ca 0.16 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.36 3df1 h SER 61 Cb 0.77 -0.01 -0.17 0.00 0.14 0.00 0.00 62.40 63.13 3df1 h SER 61 CO -0.00 0.03 1.67 0.54 -1.14 0.00 0.00 176.83 177.93 3df1 n ARG 62 N -5.06 3.52 -4.44 3.45 3.00 -0.55 -4.60 116.66 111.97 3df1 n ARG 62 Ca -0.06 -3.71 -0.38 0.00 -0.01 0.00 0.00 57.85 53.69 3df1 n ARG 62 Cb 0.03 -2.97 -0.09 0.00 0.00 0.00 0.00 32.46 29.44 3df1 n ARG 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3df1 n LYS 63 N 4.62 -0.88 -1.50 5.56 5.02 -1.22 -4.68 118.16 125.09 3df1 n LYS 63 Ca 0.38 0.13 -0.44 0.00 -2.02 0.00 0.00 58.31 56.36 3df1 n LYS 63 Cb 0.39 -4.26 -0.07 0.00 -0.02 0.00 0.00 35.03 31.08 3df1 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df1 n GLY 64 N -1.71 0.25 3.29 0.72 0.00 -0.72 -4.78 105.19 102.23 3df1 n GLY 64 Ca -0.07 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.42 3df1 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df1 n LYS 65 N 8.55 0.99 -2.39 1.61 5.02 -1.26 -4.51 118.16 126.16 3df1 n LYS 65 Ca 0.44 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 3df1 n LYS 65 Cb 0.31 -2.92 -0.02 0.00 -0.02 0.00 0.00 35.03 32.37 3df1 n LYS 65 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3df1 s ILE 66 N 6.81 3.88 -0.31 -0.18 -1.09 -1.26 -2.28 121.20 126.76 3df1 s ILE 66 Ca 0.63 0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 59.67 3df1 s ILE 66 Cb 0.12 -4.35 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3df1 s ILE 66 CO 0.19 -0.98 0.70 -0.22 -1.23 0.00 0.00 174.94 173.41 3df1 s LEU 67 N 5.64 4.12 0.16 2.97 0.20 -1.25 -0.65 118.68 129.88 3df1 s LEU 67 Ca 0.56 0.52 -0.12 0.00 0.69 0.00 0.00 54.13 55.77 3df1 s LEU 67 Cb -0.12 -2.94 -0.07 0.00 -0.43 0.00 0.00 46.19 42.64 3df1 s LEU 67 CO 0.29 -0.55 0.53 -0.36 -0.29 0.00 0.00 176.35 175.97 3df1 s PHE 68 N 2.78 3.55 0.20 5.38 0.40 0.15 0.51 117.98 130.95 3df1 s PHE 68 Ca 0.29 0.97 0.05 0.00 -0.60 0.00 0.00 56.93 57.63 3df1 s PHE 68 Cb -0.14 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.03 3df1 s PHE 68 CO 0.12 0.39 -0.07 0.08 0.70 0.00 0.00 175.22 176.44 3df1 s VAL 69 N -1.56 1.30 0.00 -0.44 1.01 0.16 0.57 120.40 121.43 3df1 s VAL 69 Ca 0.40 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.29 3df1 s VAL 69 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3df1 s VAL 69 CO 0.20 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.37 3df1 n GLY 70 N -0.35 2.15 0.03 4.51 0.00 -0.96 -2.63 105.19 107.94 3df1 n GLY 70 Ca -0.08 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3df1 n GLY 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3df1 n THR 71 N 0.00 0.14 -1.59 2.61 -1.04 -1.26 -3.05 114.28 110.09 3df1 n THR 71 Ca 0.00 -0.42 -0.44 0.00 -2.04 0.00 0.00 64.05 61.15 3df1 n THR 71 Cb 0.00 0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.57 3df1 n THR 71 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3df1 n LYS 72 N -2.21 1.33 -0.01 -2.82 2.85 -1.26 -4.45 118.16 111.59 3df1 n LYS 72 Ca -0.02 0.47 -0.00 0.00 -1.05 0.00 0.00 58.31 57.71 3df1 n LYS 72 Cb 0.52 -1.84 -0.00 0.00 -0.65 0.00 0.00 35.03 33.05 3df1 n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3df1 n ARG 73 N 0.69 -0.01 0.05 -1.58 3.00 -1.26 -0.86 116.66 116.69 3df1 n ARG 73 Ca 0.10 0.48 -0.05 0.00 -0.00 0.00 0.00 57.85 58.37 3df1 n ARG 73 Cb 0.32 -0.72 -0.03 0.00 0.00 0.00 0.00 32.46 32.04 3df1 n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df1 h ALA 74 N -0.44 -0.76 -0.15 5.13 0.00 -1.98 -3.27 119.26 117.79 3df1 h ALA 74 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3df1 h ALA 74 Cb 0.01 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3df1 h ALA 74 CO -0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 179.25 178.05 3df1 h ALA 75 N -1.33 -0.74 -0.60 0.00 0.00 -1.81 -3.23 119.26 111.56 3df1 h ALA 75 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3df1 h ALA 75 Cb 0.25 0.92 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3df1 h ALA 75 CO -0.06 -0.89 0.00 0.45 0.00 0.00 0.00 179.25 178.74 3df1 n SER 76 N -4.62 0.00 0.08 0.00 2.88 -0.04 0.16 113.62 112.08 3df1 n SER 76 Ca -0.04 0.20 0.20 0.00 -1.33 0.00 0.00 58.87 57.91 3df1 n SER 76 Cb 0.27 -0.05 0.68 0.00 -0.75 0.00 0.00 64.21 64.36 3df1 n SER 76 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3df1 h GLU 77 N 0.00 0.00 0.04 -1.46 4.81 -1.64 -1.31 114.58 115.02 3df1 h GLU 77 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 3df1 h GLU 77 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3df1 h GLU 77 CO 0.00 0.00 -2.09 0.00 -0.73 0.00 0.00 179.01 176.19 3df1 n ALA 78 N -2.24 1.30 -0.31 2.92 0.00 0.43 -4.35 120.51 118.27 3df1 n ALA 78 Ca 0.09 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 52.78 3df1 n ALA 78 Cb 0.76 -0.52 0.33 0.00 0.00 0.00 0.00 19.45 20.02 3df1 n ALA 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3df1 h VAL 79 N 0.02 0.47 -0.14 0.00 2.07 0.20 -1.00 116.25 117.86 3df1 h VAL 79 Ca -0.44 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3df1 h VAL 79 Cb 2.05 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3df1 h VAL 79 CO 0.04 0.08 -0.23 0.07 0.02 0.00 0.00 177.57 177.54 3df1 h LYS 80 N 0.41 -0.28 0.74 1.57 2.10 -1.75 -1.29 116.57 118.08 3df1 h LYS 80 Ca 0.58 0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 59.22 3df1 h LYS 80 Cb 1.12 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3df1 h LYS 80 CO -0.53 -0.19 -0.44 -0.44 -2.00 0.00 0.00 179.45 175.86 3df1 h ASP 81 N -0.29 -1.09 -0.29 7.07 3.32 -1.42 0.20 116.42 123.92 3df1 h ASP 81 Ca 0.10 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.28 3df1 h ASP 81 Cb 0.45 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 3df1 h ASP 81 CO -0.31 -0.69 -0.15 0.00 -1.72 0.00 0.00 179.24 176.37 3df1 h ALA 82 N -0.93 0.08 -0.05 3.45 0.00 -1.39 -2.75 119.26 117.68 3df1 h ALA 82 Ca -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3df1 h ALA 82 Cb 0.88 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3df1 h ALA 82 CO 0.11 -0.54 -0.10 0.00 0.00 0.00 0.00 179.25 178.72 3df1 h ALA 83 N 1.11 0.07 0.00 0.00 0.00 -1.24 -3.09 119.26 116.12 3df1 h ALA 83 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3df1 h ALA 83 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3df1 h ALA 83 CO -0.36 -0.06 0.00 -0.11 0.00 0.00 0.00 179.25 178.72 3df1 n LEU 84 N -4.67 0.00 0.00 0.00 0.00 0.71 -2.44 117.00 110.59 3df1 n LEU 84 Ca -0.08 0.10 0.01 0.00 0.00 0.00 0.00 56.01 56.04 3df1 n LEU 84 Cb 0.35 -0.10 0.04 0.00 0.00 0.00 0.00 43.42 43.71 3df1 n LEU 84 CO 0.37 -0.10 0.44 -1.20 0.00 0.00 0.00 177.39 176.89 3df1 n SER 85 N -1.09 0.00 0.00 1.96 7.64 -1.04 -4.81 113.62 116.28 3df1 n SER 85 Ca 0.00 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.17 3df1 n SER 85 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3df1 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3df1 h ASP 87 N 0.00 0.02 -0.09 0.00 3.58 -1.87 -3.41 116.42 114.64 3df1 h ASP 87 Ca 0.00 0.01 -0.78 0.00 0.42 0.00 0.00 57.03 56.68 3df1 h ASP 87 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 3df1 h ASP 87 CO 0.00 -0.00 1.25 0.00 -2.88 0.00 0.00 179.24 177.61 3df1 n GLN 88 N -4.13 0.00 -2.14 0.28 6.02 -1.25 -4.73 117.38 111.43 3df1 n GLN 88 Ca 0.32 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.05 3df1 n GLN 88 Cb 1.50 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 31.34 3df1 n GLN 88 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3df1 s PHE 89 N 5.68 2.85 0.22 1.08 0.40 0.18 -3.75 117.98 124.64 3df1 s PHE 89 Ca 1.18 0.49 -0.22 0.00 -0.60 0.00 0.00 56.93 57.77 3df1 s PHE 89 Cb -1.49 -3.29 0.04 0.00 0.51 0.00 0.00 43.02 38.80 3df1 s PHE 89 CO 0.67 -1.53 0.72 -0.59 0.70 0.00 0.00 175.22 175.19 3df1 s PHE 90 N -3.34 -0.29 -0.23 0.36 -0.12 -0.94 0.34 117.98 113.76 3df1 s PHE 90 Ca 0.61 -0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 57.39 3df1 s PHE 90 Cb -0.10 0.65 0.12 0.00 -0.63 0.00 0.00 43.02 43.06 3df1 s PHE 90 CO 0.46 -1.05 0.35 0.08 -0.05 0.00 0.00 175.22 175.01 3df1 s VAL 91 N -3.76 -0.55 -0.17 -2.49 1.01 0.19 -4.13 120.40 110.50 3df1 s VAL 91 Ca 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3df1 s VAL 91 Cb -0.04 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3df1 s VAL 91 CO 0.00 -0.13 1.04 -0.46 0.00 0.00 0.00 175.10 175.55 3df1 n ASN 92 N 5.36 2.16 -3.84 3.32 0.23 -1.26 -2.26 115.26 118.96 3df1 n ASN 92 Ca -0.04 -1.99 -0.29 0.00 -0.53 0.00 0.00 54.58 51.73 3df1 n ASN 92 Cb 0.50 -0.04 -0.13 0.00 -2.08 0.00 0.00 39.78 38.03 3df1 n ASN 92 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 3df1 s HIS 93 N -0.99 3.01 0.00 -2.53 3.76 -1.26 -4.18 115.29 113.10 3df1 s HIS 93 Ca 0.04 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 51.88 3df1 s HIS 93 Cb 0.02 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.25 3df1 s HIS 93 CO 0.03 -0.66 0.00 2.89 -0.85 0.00 0.00 174.74 176.15 3df1 n ARG 94 N 2.61 0.00 -1.65 1.40 0.00 -1.26 -4.69 116.66 113.07 3df1 n ARG 94 Ca 0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.57 3df1 n ARG 94 Cb 0.35 -0.43 0.00 0.00 -0.00 0.00 0.00 32.46 32.38 3df1 n ARG 94 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3df1 n TRP 95 N 1.84 1.73 -2.95 2.89 7.02 -1.26 -4.98 117.44 121.73 3df1 n TRP 95 Ca 0.00 0.57 -0.29 0.00 -1.02 0.00 0.00 57.50 56.76 3df1 n TRP 95 Cb 0.00 -2.32 -0.03 0.00 -2.42 0.00 0.00 31.31 26.54 3df1 n TRP 95 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3df1 s LEU 96 N -0.76 3.86 -1.23 -0.99 2.01 -1.26 -4.98 118.68 115.32 3df1 s LEU 96 Ca 0.60 0.99 -0.20 0.00 0.01 0.00 0.00 54.13 55.53 3df1 s LEU 96 Cb -0.57 -3.87 0.04 0.00 0.01 0.00 0.00 46.19 41.80 3df1 s LEU 96 CO 0.59 -0.38 1.73 -0.83 1.01 0.00 0.00 176.35 178.47 3df1 s GLY 97 N -3.31 1.33 0.00 -3.19 0.00 -1.26 -3.41 107.32 97.47 3df1 s GLY 97 Ca 0.49 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.55 3df1 s GLY 97 CO 0.33 2.86 0.00 0.61 0.00 0.00 0.00 173.10 176.90 3df1 n GLY 98 N 5.75 1.07 0.09 0.20 0.00 -1.26 -4.87 105.19 106.16 3df1 n GLY 98 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.52 3df1 n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3df1 n MET 99 N -0.59 0.06 -0.02 1.61 0.00 -1.22 0.14 117.12 117.10 3df1 n MET 99 Ca 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 57.70 58.16 3df1 n MET 99 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 33.22 31.38 3df1 n MET 99 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3df1 n LEU 100 N -1.79 1.44 -0.07 3.17 7.94 -1.26 -4.31 117.00 122.12 3df1 n LEU 100 Ca -0.01 0.22 -0.14 0.00 -1.11 0.00 0.00 56.01 54.98 3df1 n LEU 100 Cb 0.15 -0.51 -0.06 0.00 0.53 0.00 0.00 43.42 43.54 3df1 n LEU 100 CO 0.04 -0.49 0.54 0.00 -1.11 0.00 0.00 177.39 176.36 3df1 h THR 101 N -0.44 1.32 -0.61 1.96 1.03 -1.78 -2.96 112.91 111.43 3df1 h THR 101 Ca -0.02 -1.50 -0.32 0.00 -0.01 0.00 0.00 66.41 64.56 3df1 h THR 101 Cb 0.50 1.76 -0.19 0.00 -1.07 0.00 0.00 68.15 69.15 3df1 h THR 101 CO -0.01 0.47 0.41 -3.20 -0.01 0.00 0.00 175.52 173.17 3df1 n ASN 102 N -4.31 3.52 -0.29 0.00 5.15 0.38 -4.54 115.26 115.16 3df1 n ASN 102 Ca -0.05 -2.99 0.12 0.00 -0.60 0.00 0.00 54.58 51.06 3df1 n ASN 102 Cb 0.48 -0.71 0.28 0.00 -0.53 0.00 0.00 39.78 39.29 3df1 n ASN 102 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3df1 h TRP 103 N 0.63 0.51 -0.95 1.20 7.01 -1.25 0.37 115.95 123.47 3df1 h TRP 103 Ca 0.39 0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.64 3df1 h TRP 103 Cb 2.13 -0.09 -0.11 0.00 -2.10 0.00 0.00 29.16 28.99 3df1 h TRP 103 CO 0.98 -0.09 0.52 1.57 -2.79 0.00 0.00 178.44 178.63 3df1 h LYS 104 N 0.33 0.59 0.05 2.65 2.10 -1.87 0.27 116.57 120.68 3df1 h LYS 104 Ca 0.53 -0.04 -0.34 0.00 -2.00 0.00 0.00 60.65 58.80 3df1 h LYS 104 Cb 1.01 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 32.16 3df1 h LYS 104 CO -0.56 0.39 -2.03 2.41 -2.00 0.00 0.00 179.45 177.67 3df1 n THR 105 N -4.88 1.62 -0.16 0.07 -1.04 0.16 -4.28 114.28 105.78 3df1 n THR 105 Ca 0.23 -0.72 -0.05 0.00 -2.04 0.00 0.00 64.05 61.46 3df1 n THR 105 Cb 0.60 -1.26 0.12 0.00 -1.82 0.00 0.00 70.33 67.97 3df1 n THR 105 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3df1 h VAL 106 N 0.03 1.25 -0.60 12.58 2.07 0.02 -2.73 116.25 128.86 3df1 h VAL 106 Ca -0.42 -0.99 0.17 0.00 0.82 0.00 0.00 66.70 66.28 3df1 h VAL 106 Cb 2.04 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3df1 h VAL 106 CO 0.05 0.36 0.43 0.08 0.02 0.00 0.00 177.57 178.51 3df1 h ARG 107 N 0.86 0.03 -0.82 1.57 0.11 -0.67 -0.70 114.38 114.76 3df1 h ARG 107 Ca 0.17 -0.00 0.22 0.00 0.10 0.00 0.00 59.98 60.47 3df1 h ARG 107 Cb 0.42 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.45 3df1 h ARG 107 CO 0.01 0.02 0.57 1.96 0.10 0.00 0.00 179.97 182.64 3df1 h GLN 108 N 0.03 0.15 -0.03 0.08 1.08 -1.69 0.55 115.11 115.29 3df1 h GLN 108 Ca 0.29 -0.01 -0.24 0.00 -1.45 0.00 0.00 58.65 57.23 3df1 h GLN 108 Cb 1.10 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.51 3df1 h GLN 108 CO -0.01 0.10 -0.96 0.77 -0.95 0.00 0.00 178.83 177.78 3df1 h SER 109 N 0.16 0.77 0.11 1.46 0.02 -1.31 -2.82 113.55 111.93 3df1 h SER 109 Ca 0.41 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3df1 h SER 109 Cb 1.36 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3df1 h SER 109 CO -0.07 1.39 -0.19 0.40 -1.14 0.00 0.00 176.83 177.22 3df1 h ILE 110 N 0.36 0.57 -0.20 3.27 2.04 -0.00 0.37 117.51 123.92 3df1 h ILE 110 Ca -0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3df1 h ILE 110 Cb 1.59 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3df1 h ILE 110 CO 0.18 0.00 -0.16 0.50 0.00 0.00 0.00 178.15 178.67 3df1 h LYS 111 N -0.36 -0.16 -0.02 2.37 3.64 -1.19 0.78 116.57 121.61 3df1 h LYS 111 Ca 0.02 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3df1 h LYS 111 Cb 0.38 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 3df1 h LYS 111 CO -0.10 -0.11 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.53 3df1 h ARG 112 N -0.17 -0.48 -0.77 1.90 9.65 -1.17 -0.59 114.38 122.75 3df1 h ARG 112 Ca 0.12 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.18 3df1 h ARG 112 Cb 0.35 0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.94 3df1 h ARG 112 CO -0.30 -0.32 0.31 1.25 2.80 0.00 0.00 179.97 183.72 3df1 h LEU 113 N -0.49 0.29 0.34 3.80 6.46 0.31 0.37 115.31 126.39 3df1 h LEU 113 Ca 0.06 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3df1 h LEU 113 Cb 0.59 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 3df1 h LEU 113 CO -0.30 0.10 -0.21 0.11 -0.62 0.00 0.00 178.44 177.52 3df1 h LYS 114 N 0.45 -0.50 -0.85 1.25 1.57 0.21 0.59 116.57 119.30 3df1 h LYS 114 Ca 0.43 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.34 3df1 h LYS 114 Cb 0.67 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.01 3df1 h LYS 114 CO -0.42 -0.33 0.49 0.38 -0.57 0.00 0.00 179.45 179.00 3df1 h ASP 115 N -0.52 0.70 0.11 0.86 3.04 -0.86 0.90 116.42 120.65 3df1 h ASP 115 Ca -0.05 0.05 -0.08 0.00 -3.24 0.00 0.00 57.03 53.71 3df1 h ASP 115 Cb 0.41 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.61 3df1 h ASP 115 CO 0.05 0.39 -0.29 0.25 -2.04 0.00 0.00 179.24 177.60 3df1 h LEU 116 N 0.81 0.28 -0.51 0.15 6.46 -0.19 -1.41 115.31 120.89 3df1 h LEU 116 Ca 0.41 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 58.03 3df1 h LEU 116 Cb 0.39 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 3df1 h LEU 116 CO -0.25 0.56 0.12 -0.08 -0.62 0.00 0.00 178.44 178.17 3df1 h GLU 117 N 0.25 0.81 0.00 1.25 4.81 0.26 -2.18 114.58 119.77 3df1 h GLU 117 Ca 0.04 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3df1 h GLU 117 Cb 0.64 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3df1 h GLU 117 CO 0.05 0.78 -0.39 1.79 -0.73 0.00 0.00 179.01 180.51 3df1 h THR 118 N 0.70 1.25 -0.25 0.32 1.35 -0.79 -1.11 112.91 114.39 3df1 h THR 118 Ca 0.16 -1.35 0.06 0.00 -0.55 0.00 0.00 66.41 64.73 3df1 h THR 118 Cb 0.33 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.42 3df1 h THR 118 CO 0.00 0.38 -0.16 1.56 -0.25 0.00 0.00 175.52 177.05 3df1 h GLN 119 N 0.00 -0.14 0.00 4.72 1.08 -0.61 0.50 115.11 120.65 3df1 h GLN 119 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3df1 h GLN 119 Cb 0.70 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3df1 h GLN 119 CO 0.05 -0.09 0.00 0.66 -0.95 0.00 0.00 178.83 178.50 3df1 h SER 120 N -0.15 0.00 0.00 1.46 4.64 -1.34 0.37 113.55 118.53 3df1 h SER 120 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3df1 h SER 120 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3df1 h SER 120 CO -0.34 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.29 3df1 n GLN 121 N -3.00 0.00 -1.68 4.77 7.27 0.14 -4.86 117.38 120.02 3df1 n GLN 121 Ca 0.03 0.01 -0.14 0.00 0.07 0.00 0.00 57.00 56.97 3df1 n GLN 121 Cb 0.45 -0.79 0.08 0.00 2.41 0.00 0.00 30.24 32.39 3df1 n GLN 121 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3df1 n ASP 122 N -0.30 0.69 -4.58 1.69 8.00 -1.03 -4.92 116.55 116.11 3df1 n ASP 122 Ca 0.00 -1.62 -0.19 0.00 0.71 0.00 0.00 54.79 53.69 3df1 n ASP 122 Cb 0.00 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 3df1 n ASP 122 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3df1 s GLY 123 N -4.11 -0.64 0.00 0.44 0.00 -1.26 -3.74 107.32 98.02 3df1 s GLY 123 Ca 0.40 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3df1 s GLY 123 CO 0.27 4.02 0.00 -0.37 0.00 0.00 0.00 173.10 177.02 3df1 n THR 124 N 8.58 0.00 -0.04 0.90 5.66 -1.23 -4.90 114.28 123.25 3df1 n THR 124 Ca 0.43 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.43 3df1 n THR 124 Cb 0.46 0.29 -0.15 0.00 -1.55 0.00 0.00 70.33 69.38 3df1 n THR 124 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3df1 n PHE 125 N 0.00 0.17 -2.29 1.09 -0.00 0.13 -4.85 117.46 111.71 3df1 n PHE 125 Ca 0.00 0.06 -0.41 0.00 -0.00 0.00 0.00 57.45 57.09 3df1 n PHE 125 Cb 0.05 -0.83 -0.03 0.00 -0.00 0.00 0.00 39.48 38.67 3df1 n PHE 125 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3df1 s ASP 126 N -5.17 5.96 0.00 5.98 2.15 -1.26 -4.85 116.67 119.48 3df1 s ASP 126 Ca -0.08 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.30 3df1 s ASP 126 Cb 0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3df1 s ASP 126 CO 0.86 -1.82 0.00 2.29 -0.17 0.00 0.00 175.17 176.33 3df1 n LYS 127 N 8.73 -2.65 -1.41 4.34 0.00 -1.26 -5.14 118.16 120.78 3df1 n LYS 127 Ca 0.15 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.63 3df1 n LYS 127 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.44 3df1 n LYS 127 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3df1 n LEU 128 N 0.00 -0.94 -4.77 -5.58 -0.00 -1.26 -4.49 117.00 99.96 3df1 n LEU 128 Ca 0.00 2.19 -0.40 0.00 -0.00 0.00 0.00 56.01 57.80 3df1 n LEU 128 Cb 0.00 -3.50 0.00 0.00 -0.00 0.00 0.00 43.42 39.93 3df1 n LEU 128 CO 0.00 -2.29 1.00 0.42 -0.00 0.00 0.00 177.39 176.53 3df1 s THR 129 N -4.05 2.40 0.51 1.96 -4.23 -1.26 -4.56 115.64 106.40 3df1 s THR 129 Ca 0.00 0.35 0.43 0.00 -1.18 0.00 0.00 61.69 61.30 3df1 s THR 129 Cb 0.00 -3.21 0.65 0.00 1.34 0.00 0.00 72.50 71.28 3df1 s THR 129 CO 0.00 0.05 1.55 0.29 -0.54 0.00 0.00 174.62 175.97 3df1 n LYS 130 N -0.02 -0.01 0.00 3.99 4.76 -1.26 0.57 118.16 126.19 3df1 n LYS 130 Ca 0.04 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.63 3df1 n LYS 130 Cb 0.43 -2.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 3df1 n LYS 130 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3df1 n LYS 131 N -4.21 0.00 0.31 1.97 4.81 -1.26 0.98 118.16 120.75 3df1 n LYS 131 Ca 0.43 0.24 0.19 0.00 -0.87 0.00 0.00 58.31 58.30 3df1 n LYS 131 Cb 1.84 -1.24 0.95 0.00 0.02 0.00 0.00 35.03 36.60 3df1 n LYS 131 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3df1 h GLU 132 N 0.00 0.00 0.21 1.64 4.81 -1.61 0.35 114.58 119.98 3df1 h GLU 132 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3df1 h GLU 132 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3df1 h GLU 132 CO 0.00 0.02 -0.10 0.00 -0.73 0.00 0.00 179.01 178.20 3df1 h ALA 133 N 1.98 -0.28 0.00 2.92 0.00 0.18 -3.21 119.26 120.86 3df1 h ALA 133 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3df1 h ALA 133 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3df1 h ALA 133 CO 0.00 -0.32 -0.23 -0.07 0.00 0.00 0.00 179.25 178.64 3df1 h LEU 134 N -0.96 0.00 -0.65 0.00 3.38 0.87 -3.15 115.31 114.81 3df1 h LEU 134 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3df1 h LEU 134 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3df1 h LEU 134 CO 0.05 0.23 0.42 0.24 0.09 0.00 0.00 178.44 179.47 3df1 h MET 135 N 0.00 0.83 0.00 1.13 2.86 -0.36 -1.79 114.93 117.59 3df1 h MET 135 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3df1 h MET 135 Cb 0.77 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3df1 h MET 135 CO 0.03 0.55 -0.02 0.00 1.06 0.00 0.00 176.91 178.53 3df1 h ARG 136 N 0.85 0.00 -0.14 1.72 3.08 -1.54 -2.80 114.38 115.55 3df1 h ARG 136 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3df1 h ARG 136 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3df1 h ARG 136 CO -0.07 0.02 -0.01 1.79 -1.07 0.00 0.00 179.97 180.62 3df1 h THR 137 N 0.00 1.27 -0.81 2.04 1.35 -1.40 -3.04 112.91 112.31 3df1 h THR 137 Ca -0.00 -0.89 0.17 0.00 -0.55 0.00 0.00 66.41 65.13 3df1 h THR 137 Cb 0.48 1.58 -0.15 0.00 -1.73 0.00 0.00 68.15 68.33 3df1 h THR 137 CO 0.00 0.26 -0.18 -0.09 -0.25 0.00 0.00 175.52 175.26 3df1 h ARG 138 N -0.03 0.01 -0.58 4.72 9.65 -1.35 -1.48 114.38 125.32 3df1 h ARG 138 Ca 0.04 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.01 3df1 h ARG 138 Cb 0.41 -0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.87 3df1 h ARG 138 CO 0.01 0.00 -0.39 0.93 2.80 0.00 0.00 179.97 183.33 3df1 h GLU 139 N 0.01 -0.19 -0.80 0.20 5.08 -1.60 0.18 114.58 117.46 3df1 h GLU 139 Ca 0.39 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 3df1 h GLU 139 Cb 0.62 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3df1 h GLU 139 CO -0.82 -0.13 0.41 -0.07 -1.00 0.00 0.00 179.01 177.40 3df1 h LEU 140 N -0.20 1.02 -0.80 1.33 4.07 -1.38 1.20 115.31 120.55 3df1 h LEU 140 Ca 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3df1 h LEU 140 Cb 0.56 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3df1 h LEU 140 CO -0.68 0.84 0.21 -0.62 -1.08 0.00 0.00 178.44 177.11 3df1 n GLU 141 N -4.33 0.08 0.00 1.13 1.02 0.59 -2.01 120.64 117.12 3df1 n GLU 141 Ca 0.08 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3df1 n GLU 141 Cb 0.12 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 3df1 n GLU 141 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3df1 n LYS 142 N -1.94 0.00 -0.34 3.49 0.00 -0.33 -4.64 118.16 114.40 3df1 n LYS 142 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 3df1 n LYS 142 Cb 0.23 -0.43 0.33 0.00 0.00 0.00 0.00 35.03 35.16 3df1 n LYS 142 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3df1 h LEU 143 N 0.00 0.76 -0.91 3.14 3.38 0.15 0.39 115.31 122.22 3df1 h LEU 143 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3df1 h LEU 143 Cb 0.73 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3df1 h LEU 143 CO 0.00 0.32 -0.02 -0.08 0.09 0.00 0.00 178.44 178.75 3df1 h GLU 144 N 0.77 0.00 -0.46 1.13 4.57 -1.60 0.23 114.58 119.22 3df1 h GLU 144 Ca 0.54 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.65 3df1 h GLU 144 Cb 0.83 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 3df1 h GLU 144 CO -0.32 0.02 0.02 -0.91 -1.18 0.00 0.00 179.01 176.64 3df1 h ASN 145 N 0.00 0.71 0.00 1.04 -0.26 -0.40 -2.13 115.58 114.54 3df1 h ASN 145 Ca -0.00 -0.16 -0.09 0.00 -0.56 0.00 0.00 56.30 55.49 3df1 h ASN 145 Cb 0.71 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 3df1 h ASN 145 CO 0.00 0.76 -1.35 -1.54 -1.06 0.00 0.00 177.43 174.24 3df1 n SER 146 N -4.24 3.60 0.15 5.81 3.41 -1.18 -4.26 113.62 116.92 3df1 n SER 146 Ca 0.03 -0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3df1 n SER 146 Cb 0.28 0.14 0.22 0.00 -0.26 0.00 0.00 64.21 64.59 3df1 n SER 146 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3df1 h LEU 147 N 0.00 0.00 -0.07 1.04 3.38 -0.69 -3.38 115.31 115.58 3df1 h LEU 147 Ca -0.14 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3df1 h LEU 147 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3df1 h LEU 147 CO -0.01 0.01 -0.32 1.23 0.09 0.00 0.00 178.44 179.44 3df1 h GLY 148 N 4.23 -1.29 -2.74 0.83 0.00 -1.40 0.61 103.07 103.30 3df1 h GLY 148 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.01 3df1 h GLY 148 CO 0.00 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 176.79 3df1 n GLY 149 N -1.25 1.65 0.00 4.60 0.00 -1.26 -2.60 105.19 106.33 3df1 n GLY 149 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3df1 n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df1 n ILE 150 N 1.22 0.00 -0.31 -0.61 3.06 -0.84 -2.21 119.36 119.68 3df1 n ILE 150 Ca 0.00 0.00 0.14 0.00 -2.50 0.00 0.00 62.75 60.39 3df1 n ILE 150 Cb 0.34 0.00 0.38 0.00 0.54 0.00 0.00 39.64 40.90 3df1 n ILE 150 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 3df1 h LYS 151 N 0.00 0.66 -0.04 9.51 2.10 0.47 0.37 116.57 129.64 3df1 h LYS 151 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3df1 h LYS 151 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 3df1 h LYS 151 CO 0.00 0.44 0.00 -0.25 -2.00 0.00 0.00 179.45 177.64 3df1 n ASP 152 N -4.63 0.75 -4.75 7.07 8.00 -1.26 -4.84 116.55 116.90 3df1 n ASP 152 Ca 0.20 -1.40 -0.40 0.00 0.71 0.00 0.00 54.79 53.90 3df1 n ASP 152 Cb 0.56 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3df1 n ASP 152 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3df1 s MET 153 N -1.95 4.47 -0.84 -1.24 1.75 0.13 -5.00 119.30 116.63 3df1 s MET 153 Ca 0.36 1.03 0.01 0.00 -1.25 0.00 0.00 55.69 55.84 3df1 s MET 153 Cb 0.18 -3.36 0.31 0.00 2.84 0.00 0.00 34.83 34.80 3df1 s MET 153 CO 0.29 0.30 1.32 0.41 -0.65 0.00 0.00 175.02 176.70 3df1 n GLY 154 N 2.38 5.58 0.00 2.11 0.00 -1.26 -5.02 105.19 108.99 3df1 n GLY 154 Ca -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.30 3df1 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLY 155 N 0.30 1.14 3.53 -0.02 0.00 -1.26 -5.04 105.19 103.85 3df1 n GLY 155 Ca 0.35 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 3df1 n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3df1 n LEU 156 N 0.00 0.97 -4.77 0.99 4.32 -1.26 -4.91 117.00 112.34 3df1 n LEU 156 Ca 0.00 1.11 -0.36 0.00 -0.02 0.00 0.00 56.01 56.74 3df1 n LEU 156 Cb 0.00 -1.20 0.01 0.00 -1.62 0.00 0.00 43.42 40.61 3df1 n LEU 156 CO 0.00 -1.96 0.83 -2.16 -1.22 0.00 0.00 177.39 172.87 3df1 s PRO 157 N -1.49 3.42 0.37 3.23 0.04 -1.26 -4.92 135.00 134.39 3df1 s PRO 157 Ca 0.61 1.76 0.09 0.00 0.04 0.00 0.00 61.00 63.50 3df1 s PRO 157 Cb -0.72 -2.16 0.83 0.00 0.04 0.00 0.00 34.50 32.50 3df1 s PRO 157 CO 0.59 -0.83 1.91 -0.44 0.04 0.00 0.00 177.00 178.27 3df1 h ASP 158 N 1.48 0.61 0.00 6.66 3.45 -1.79 -3.46 116.42 123.37 3df1 h ASP 158 Ca -0.50 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3df1 h ASP 158 Cb 1.27 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3df1 h ASP 158 CO 0.58 0.34 0.00 0.00 -1.57 0.00 0.00 179.24 178.59 3df1 n ALA 159 N -2.45 0.00 -3.57 3.45 0.00 -1.13 -4.80 120.51 112.00 3df1 n ALA 159 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 3df1 n ALA 159 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 3df1 n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3df1 s LEU 160 N 0.00 -0.22 -0.30 0.00 0.20 -1.23 -3.96 118.68 113.17 3df1 s LEU 160 Ca 0.00 -0.04 -0.07 0.00 0.69 0.00 0.00 54.13 54.70 3df1 s LEU 160 Cb 0.00 1.70 0.18 0.00 -0.43 0.00 0.00 46.19 47.64 3df1 s LEU 160 CO 0.00 -0.45 0.82 0.12 -0.29 0.00 0.00 176.35 176.55 3df1 s PHE 161 N -2.77 -1.09 0.12 5.38 2.19 0.18 -3.84 117.98 118.16 3df1 s PHE 161 Ca 0.08 1.22 0.08 0.00 0.33 0.00 0.00 56.93 58.65 3df1 s PHE 161 Cb -0.01 0.41 -0.04 0.00 -1.31 0.00 0.00 43.02 42.07 3df1 s PHE 161 CO -0.06 -0.59 -0.14 0.54 1.83 0.00 0.00 175.22 176.80 3df1 s VAL 162 N 2.88 3.06 0.01 3.12 0.11 -0.76 -0.67 120.40 128.14 3df1 s VAL 162 Ca 0.09 -1.45 -0.11 0.00 -2.93 0.00 0.00 61.98 57.58 3df1 s VAL 162 Cb -0.12 -2.43 -0.06 0.00 -1.53 0.00 0.00 36.38 32.23 3df1 s VAL 162 CO -0.16 0.07 0.91 -0.29 -3.33 0.00 0.00 175.10 172.30 3df1 h ILE 163 N 3.33 0.00 -3.23 7.04 6.09 -1.79 -3.20 117.51 125.75 3df1 h ILE 163 Ca -0.49 -0.10 -0.49 0.00 -1.37 0.00 0.00 64.86 62.40 3df1 h ILE 163 Cb 1.17 0.00 -0.37 0.00 0.47 0.00 0.00 36.82 38.09 3df1 h ILE 163 CO 0.49 0.00 -0.79 -0.62 -3.07 0.00 0.00 178.15 174.16 3df1 s ASP 164 N -3.12 1.89 0.21 2.19 2.15 -1.26 -0.29 116.67 118.44 3df1 s ASP 164 Ca -0.06 -0.22 -0.06 0.00 0.43 0.00 0.00 52.55 52.64 3df1 s ASP 164 Cb 0.01 -0.69 0.16 0.00 -0.30 0.00 0.00 42.92 42.09 3df1 s ASP 164 CO 0.18 -0.13 1.63 0.00 -0.17 0.00 0.00 175.17 176.68 3df1 h ALA 165 N 8.09 0.86 -0.35 3.66 0.00 -1.90 -2.63 119.26 126.99 3df1 h ALA 165 Ca -0.27 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.38 3df1 h ALA 165 Cb 1.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3df1 h ALA 165 CO 0.37 0.64 0.46 0.22 0.00 0.00 0.00 179.25 180.94 3df1 h ASP 166 N 0.76 0.00 0.00 0.00 1.82 -1.91 0.37 116.42 117.46 3df1 h ASP 166 Ca 0.11 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.42 3df1 h ASP 166 Cb 0.69 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.64 3df1 h ASP 166 CO 0.05 0.00 -2.25 1.57 -1.61 0.00 0.00 179.24 177.00 3df1 n HIS 167 N -3.51 0.00 -0.38 0.28 -0.00 -1.18 -4.41 115.22 106.02 3df1 n HIS 167 Ca 0.06 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.19 3df1 n HIS 167 Cb 0.62 -0.86 0.21 0.00 -0.12 0.00 0.00 29.99 29.83 3df1 n HIS 167 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3df1 n GLU 168 N -2.99 2.83 -0.31 1.57 -0.58 -0.71 -4.66 120.64 115.78 3df1 n GLU 168 Ca -0.36 -2.08 -0.00 0.00 -0.42 0.00 0.00 57.16 54.30 3df1 n GLU 168 Cb 0.97 -1.92 0.04 0.00 -0.57 0.00 0.00 31.44 29.96 3df1 n GLU 168 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3df1 n HIS 169 N -0.04 0.06 -0.20 -0.32 1.44 0.12 0.15 115.22 116.42 3df1 n HIS 169 Ca 0.28 0.99 0.00 0.00 -2.01 0.00 0.00 57.72 56.98 3df1 n HIS 169 Cb 1.07 -0.82 0.08 0.00 0.12 0.00 0.00 29.99 30.45 3df1 n HIS 169 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3df1 h ILE 170 N 0.00 0.44 0.11 0.61 1.08 -1.86 -1.89 117.51 116.00 3df1 h ILE 170 Ca 0.29 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.76 3df1 h ILE 170 Cb 0.49 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 3df1 h ILE 170 CO -0.80 0.01 -0.22 0.00 -0.69 0.00 0.00 178.15 176.45 3df1 h ALA 171 N 1.58 -0.38 -0.40 1.87 0.00 -0.67 -2.39 119.26 118.87 3df1 h ALA 171 Ca 0.31 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3df1 h ALA 171 Cb 0.49 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 3df1 h ALA 171 CO -0.57 -0.76 -0.18 0.82 0.00 0.00 0.00 179.25 178.56 3df1 h ILE 172 N -0.42 0.45 -0.01 0.00 5.03 -1.06 -1.98 117.51 119.52 3df1 h ILE 172 Ca 0.03 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.80 3df1 h ILE 172 Cb 0.44 0.45 -0.04 0.00 -3.03 0.00 0.00 36.82 34.64 3df1 h ILE 172 CO -0.13 0.00 -0.20 0.50 -0.68 0.00 0.00 178.15 177.64 3df1 h LYS 173 N -0.10 -0.31 -0.59 2.37 3.11 -1.18 -1.55 116.57 118.32 3df1 h LYS 173 Ca 0.20 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 58.18 3df1 h LYS 173 Cb 0.41 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 3df1 h LYS 173 CO -0.47 -0.20 0.40 0.93 -2.81 0.00 0.00 179.45 177.30 3df1 h GLU 174 N -0.32 0.28 0.00 1.90 5.08 -1.04 -0.81 114.58 119.67 3df1 h GLU 174 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3df1 h GLU 174 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3df1 h GLU 174 CO -0.19 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 3df1 n ALA 175 N -2.55 -0.19 0.05 3.43 0.00 -0.64 -2.71 120.51 117.91 3df1 n ALA 175 Ca 0.10 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.76 3df1 n ALA 175 Cb 0.45 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.62 3df1 n ALA 175 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3df1 h ASN 176 N 0.00 0.00 0.46 0.00 7.08 -1.40 0.69 115.58 122.41 3df1 h ASN 176 Ca 0.00 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.13 3df1 h ASN 176 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 3df1 h ASN 176 CO 0.00 0.00 -0.43 -1.13 -2.08 0.00 0.00 177.43 173.79 3df1 h ASN 177 N 0.00 0.00 0.46 6.14 -0.73 -1.19 -2.74 115.58 117.52 3df1 h ASN 177 Ca 0.23 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.40 3df1 h ASN 177 Cb 1.29 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.88 3df1 h ASN 177 CO -0.00 0.43 -1.50 0.18 -0.37 0.00 0.00 177.43 176.18 3df1 n LEU 178 N -3.98 0.42 -0.07 0.34 4.77 0.21 -4.99 117.00 113.71 3df1 n LEU 178 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3df1 n LEU 178 Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3df1 n LEU 178 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3df1 n GLY 179 N 1.23 0.75 3.31 -0.72 0.00 0.48 -5.10 105.19 105.15 3df1 n GLY 179 Ca -0.02 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3df1 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df1 s ILE 180 N -1.65 3.25 0.47 -0.61 -1.09 -0.84 -4.95 121.20 115.77 3df1 s ILE 180 Ca 0.00 -0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 57.66 3df1 s ILE 180 Cb 0.00 -2.45 -0.10 0.00 -1.58 0.00 0.00 42.46 38.33 3df1 s ILE 180 CO 0.00 0.45 0.79 -2.65 -1.23 0.00 0.00 174.94 172.30 3df1 n PRO 181 N 4.53 0.92 -4.91 2.79 -0.02 -1.26 -3.80 135.00 133.24 3df1 n PRO 181 Ca -0.18 0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.35 3df1 n PRO 181 Cb 0.51 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.98 3df1 n PRO 181 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3df1 s VAL 182 N -1.44 1.61 -0.30 -1.45 1.01 -1.26 -3.52 120.40 115.04 3df1 s VAL 182 Ca 0.66 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3df1 s VAL 182 Cb -0.53 -1.42 0.09 0.00 0.00 0.00 0.00 36.38 34.52 3df1 s VAL 182 CO 0.55 0.46 0.05 -0.36 0.00 0.00 0.00 175.10 175.81 3df1 s PHE 183 N 0.49 2.36 0.18 5.22 0.40 -1.25 -2.08 117.98 123.30 3df1 s PHE 183 Ca -0.17 -2.04 0.11 0.00 -0.60 0.00 0.00 56.93 54.23 3df1 s PHE 183 Cb -0.17 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 3df1 s PHE 183 CO 0.06 -0.86 -0.24 0.00 0.70 0.00 0.00 175.22 174.88 3df1 s ALA 184 N 1.39 2.46 -0.73 5.36 0.00 -1.17 -1.84 121.76 127.23 3df1 s ALA 184 Ca 0.07 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.43 3df1 s ALA 184 Cb -0.18 -0.32 0.37 0.00 0.00 0.00 0.00 23.12 22.99 3df1 s ALA 184 CO -0.16 0.42 1.66 -0.89 0.00 0.00 0.00 175.76 176.78 3df1 n ILE 185 N 0.34 3.52 -2.17 0.00 5.41 0.60 -0.91 119.36 126.15 3df1 n ILE 185 Ca -0.13 -4.79 -0.38 0.00 1.00 0.00 0.00 62.75 58.45 3df1 n ILE 185 Cb 0.56 -1.30 -0.00 0.00 -0.71 0.00 0.00 39.64 38.18 3df1 n ILE 185 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3df1 s VAL 186 N -5.08 2.91 0.00 1.39 -7.23 -1.24 -3.96 120.40 107.19 3df1 s VAL 186 Ca 0.49 0.71 0.06 0.00 -1.81 0.00 0.00 61.98 61.43 3df1 s VAL 186 Cb 0.39 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 3df1 s VAL 186 CO -0.30 0.02 -0.18 1.51 -0.31 0.00 0.00 175.10 175.84 3df1 s ASP 187 N -1.19 2.11 0.00 4.85 -4.77 -1.23 -2.58 116.67 113.85 3df1 s ASP 187 Ca 0.63 -0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 3df1 s ASP 187 Cb -0.32 -0.22 0.00 0.00 -1.09 0.00 0.00 42.92 41.30 3df1 s ASP 187 CO 0.39 0.19 0.00 0.35 0.70 0.00 0.00 175.17 176.80 3df1 n THR 188 N 2.45 0.00 -1.15 2.11 -2.24 -1.26 -3.47 114.28 110.71 3df1 n THR 188 Ca -0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 3df1 n THR 188 Cb 0.54 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 3df1 n THR 188 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3df1 n ASN 189 N 0.44 2.49 -3.60 3.42 6.94 -1.26 -3.63 115.26 120.06 3df1 n ASN 189 Ca 0.00 -2.68 -0.14 0.00 -0.02 0.00 0.00 54.58 51.74 3df1 n ASN 189 Cb 0.00 -1.11 -0.07 0.00 -2.36 0.00 0.00 39.78 36.24 3df1 n ASN 189 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3df1 s SER 190 N 5.07 -0.67 -0.51 0.53 0.01 -1.23 -4.80 113.70 112.11 3df1 s SER 190 Ca 0.58 1.12 -0.24 0.00 1.31 0.00 0.00 55.95 58.72 3df1 s SER 190 Cb 0.14 1.08 0.04 0.00 0.21 0.00 0.00 66.02 67.48 3df1 s SER 190 CO 0.12 -0.34 0.90 -0.62 0.41 0.00 0.00 173.24 173.71 3df1 s ASP 191 N -0.16 6.39 0.34 2.44 -1.08 -1.26 -4.59 116.67 118.74 3df1 s ASP 191 Ca -0.03 -0.21 0.17 0.00 -0.52 0.00 0.00 52.55 51.97 3df1 s ASP 191 Cb -0.03 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.44 3df1 s ASP 191 CO 0.03 -1.12 1.62 1.55 0.52 0.00 0.00 175.17 177.76 3df1 h PRO 192 N 9.19 0.00 -0.19 4.34 0.13 -1.93 -3.24 132.00 140.30 3df1 h PRO 192 Ca -0.25 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 3df1 h PRO 192 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3df1 h PRO 192 CO 1.05 0.43 0.37 -0.44 -0.23 0.00 0.00 178.00 179.18 3df1 h ASP 193 N 0.00 0.00 0.31 1.44 3.32 -1.96 0.53 116.42 120.06 3df1 h ASP 193 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3df1 h ASP 193 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3df1 h ASP 193 CO 0.06 0.00 -0.06 0.61 -1.72 0.00 0.00 179.24 178.13 3df1 n GLY 194 N -1.35 -0.96 3.14 2.75 0.00 -1.22 -4.77 105.19 102.78 3df1 n GLY 194 Ca 0.02 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 3df1 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df1 s VAL 195 N -2.38 1.56 -0.97 1.61 1.01 0.19 -4.92 120.40 116.50 3df1 s VAL 195 Ca 0.33 -0.76 0.27 0.00 0.00 0.00 0.00 61.98 61.82 3df1 s VAL 195 Cb 0.20 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.34 3df1 s VAL 195 CO 0.44 0.45 1.63 -0.90 0.00 0.00 0.00 175.10 176.73 3df1 n ASP 196 N 3.40 0.32 -3.39 3.32 5.68 -1.21 -4.36 116.55 120.30 3df1 n ASP 196 Ca -0.20 0.11 -0.27 0.00 -0.50 0.00 0.00 54.79 53.93 3df1 n ASP 196 Cb 0.53 -0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 3df1 n ASP 196 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3df1 n PHE 197 N -1.56 -0.86 -2.68 2.11 3.72 -0.88 -5.00 117.46 112.31 3df1 n PHE 197 Ca 0.06 -3.33 -0.40 0.00 -0.05 0.00 0.00 57.45 53.73 3df1 n PHE 197 Cb 0.35 0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 3df1 n PHE 197 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3df1 s VAL 198 N -0.02 4.06 -0.51 -4.37 1.01 -1.26 -3.05 120.40 116.26 3df1 s VAL 198 Ca 0.33 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.30 3df1 s VAL 198 Cb 0.05 -4.24 0.16 0.00 0.00 0.00 0.00 36.38 32.35 3df1 s VAL 198 CO -0.20 0.42 0.37 -0.63 0.00 0.00 0.00 175.10 175.06 3df1 s ILE 199 N -0.83 1.28 -0.24 2.22 1.01 -0.09 -4.94 121.20 119.62 3df1 s ILE 199 Ca 0.44 -3.11 -0.34 0.00 0.00 0.00 0.00 60.65 57.63 3df1 s ILE 199 Cb -0.27 -1.87 -0.11 0.00 0.01 0.00 0.00 42.46 40.23 3df1 s ILE 199 CO 0.33 -1.11 2.06 -0.81 0.00 0.00 0.00 174.94 175.42 3df1 n PRO 200 N 2.72 1.58 -3.55 2.79 -0.04 -1.25 -3.71 135.00 133.54 3df1 n PRO 200 Ca 0.23 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 64.08 3df1 n PRO 200 Cb 0.41 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 3df1 n PRO 200 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3df1 s GLY 201 N 6.14 -0.38 -0.37 0.55 0.00 -1.06 -4.89 107.32 107.31 3df1 s GLY 201 Ca 1.02 1.61 -0.42 0.00 0.00 0.00 0.00 44.72 46.93 3df1 s GLY 201 CO 0.49 0.82 1.39 -2.01 0.00 0.00 0.00 173.10 173.79 3df1 n ASN 202 N 0.48 0.90 0.00 1.64 5.15 -1.26 -3.57 115.26 118.60 3df1 n ASN 202 Ca -0.11 1.10 0.01 0.00 -0.60 0.00 0.00 54.58 54.98 3df1 n ASN 202 Cb 0.59 -0.82 0.05 0.00 -0.53 0.00 0.00 39.78 39.07 3df1 n ASN 202 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3df1 n ASP 203 N 3.25 0.00 0.00 1.20 5.68 -1.26 -4.63 116.55 120.79 3df1 n ASP 203 Ca 0.27 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 3df1 n ASP 203 Cb -0.03 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 3df1 n ASP 203 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3df1 n ASP 204 N -1.48 0.00 -2.16 -1.12 2.03 -1.26 -4.70 116.55 107.86 3df1 n ASP 204 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3df1 n ASP 204 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 3df1 n ASP 204 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3df1 n ALA 205 N -3.00 -2.07 -0.31 -1.67 0.00 -1.26 -2.67 120.51 109.53 3df1 n ALA 205 Ca 0.00 0.46 0.30 0.00 0.00 0.00 0.00 53.44 54.21 3df1 n ALA 205 Cb 0.00 -1.41 0.56 0.00 0.00 0.00 0.00 19.45 18.60 3df1 n ALA 205 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3df1 n ILE 206 N 1.79 -0.41 -0.08 0.00 2.08 -1.26 -1.35 119.36 120.13 3df1 n ILE 206 Ca 0.00 1.98 -0.16 0.00 0.56 0.00 0.00 62.75 65.13 3df1 n ILE 206 Cb 0.00 -3.20 -0.11 0.00 -0.75 0.00 0.00 39.64 35.59 3df1 n ILE 206 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3df1 h ARG 207 N 0.00 0.00 -1.10 0.38 9.65 -1.83 -3.28 114.38 118.20 3df1 h ARG 207 Ca 0.81 0.00 0.34 0.00 -1.10 0.00 0.00 59.98 60.03 3df1 h ARG 207 Cb 2.13 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 30.58 3df1 h ARG 207 CO -0.76 0.86 0.67 0.00 2.80 0.00 0.00 179.97 183.54 3df1 h ALA 208 N -0.37 2.24 0.20 2.80 0.00 -1.32 0.63 119.26 123.44 3df1 h ALA 208 Ca -0.16 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3df1 h ALA 208 Cb 1.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3df1 h ALA 208 CO -0.10 -0.82 -0.10 -0.39 0.00 0.00 0.00 179.25 177.85 3df1 h VAL 209 N 0.27 0.00 -0.54 0.00 -1.51 -1.07 -3.22 116.25 110.18 3df1 h VAL 209 Ca 0.73 -0.41 0.05 0.00 -1.23 0.00 0.00 66.70 65.84 3df1 h VAL 209 Cb 1.90 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 3df1 h VAL 209 CO -0.49 0.00 0.36 0.71 -1.23 0.00 0.00 177.57 176.92 3df1 h THR 210 N -0.68 1.00 0.00 7.19 1.35 -1.51 -1.14 112.91 119.13 3df1 h THR 210 Ca -0.03 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3df1 h THR 210 Cb 0.20 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3df1 h THR 210 CO 0.04 0.10 0.00 -0.11 -0.25 0.00 0.00 175.52 175.30 3df1 n LEU 211 N -4.47 0.00 0.30 3.87 -0.00 0.22 -2.39 117.00 114.52 3df1 n LEU 211 Ca 0.07 0.70 0.15 0.00 -0.00 0.00 0.00 56.01 56.93 3df1 n LEU 211 Cb 0.22 -0.20 0.91 0.00 -0.00 0.00 0.00 43.42 44.35 3df1 n LEU 211 CO 0.34 -0.20 1.11 0.22 -0.00 0.00 0.00 177.39 178.87 3df1 h TYR 212 N 0.00 0.00 0.17 1.96 3.20 -1.58 0.55 116.97 121.28 3df1 h TYR 212 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3df1 h TYR 212 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3df1 h TYR 212 CO -0.01 0.02 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.30 3df1 h LEU 213 N 0.00 -0.43 -0.94 2.82 3.38 -1.10 0.23 115.31 119.28 3df1 h LEU 213 Ca -0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3df1 h LEU 213 Cb 0.04 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3df1 h LEU 213 CO 0.00 -0.21 -0.42 1.23 0.09 0.00 0.00 178.44 179.13 3df1 h GLY 214 N -0.32 0.00 1.00 0.83 0.00 -1.36 -1.35 103.07 101.86 3df1 h GLY 214 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3df1 h GLY 214 CO -0.01 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.87 3df1 h ALA 215 N 1.58 0.65 0.12 3.60 0.00 -0.68 -0.87 119.26 123.66 3df1 h ALA 215 Ca -0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3df1 h ALA 215 Cb 0.91 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3df1 h ALA 215 CO 0.05 0.09 -1.23 -0.39 0.00 0.00 0.00 179.25 177.78 3df1 h VAL 216 N 0.69 1.50 -0.25 0.00 -1.51 -0.45 -3.22 116.25 113.01 3df1 h VAL 216 Ca 0.19 -3.05 0.07 0.00 -1.23 0.00 0.00 66.70 62.68 3df1 h VAL 216 Cb -0.07 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 3df1 h VAL 216 CO -0.04 0.89 0.18 0.00 -1.23 0.00 0.00 177.57 177.37 3df1 h ALA 217 N 0.59 2.21 0.03 5.19 0.00 -0.91 -2.91 119.26 123.45 3df1 h ALA 217 Ca -0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3df1 h ALA 217 Cb 1.95 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 3df1 h ALA 217 CO 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 3df1 h ALA 218 N 1.87 -0.75 0.00 0.00 0.00 -1.17 1.38 119.26 120.60 3df1 h ALA 218 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3df1 h ALA 218 Cb 0.45 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3df1 h ALA 218 CO -0.00 -0.75 0.00 0.25 0.00 0.00 0.00 179.25 178.75 3df1 n THR 219 N -2.49 0.47 -0.09 0.00 -2.24 -1.12 0.18 114.28 108.99 3df1 n THR 219 Ca -0.01 0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3df1 n THR 219 Cb 0.03 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.04 3df1 n THR 219 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3df1 n VAL 220 N -1.10 1.12 -0.12 2.28 0.31 -0.35 -3.73 118.33 116.74 3df1 n VAL 220 Ca 0.00 -0.47 -0.21 0.00 -0.01 0.00 0.00 64.34 63.65 3df1 n VAL 220 Cb 0.00 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 3df1 n VAL 220 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3df1 n ARG 221 N -2.99 0.54 0.08 5.55 1.85 0.46 -4.35 116.66 117.79 3df1 n ARG 221 Ca -0.33 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 56.82 3df1 n ARG 221 Cb 0.89 -1.40 0.23 0.00 -1.05 0.00 0.00 32.46 31.13 3df1 n ARG 221 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3df1 h GLU 222 N -0.46 0.00 -0.00 2.89 4.39 0.17 -3.30 114.58 118.27 3df1 h GLU 222 Ca -0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.14 3df1 h GLU 222 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 3df1 h GLU 222 CO -0.23 0.00 -0.09 0.41 -1.16 0.00 0.00 179.01 177.94 3df1 n GLY 223 N 1.32 -0.90 3.51 -3.84 0.00 0.17 -4.59 105.19 100.86 3df1 n GLY 223 Ca 0.04 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3df1 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df1 n ARG 224 N -0.90 3.28 -0.47 1.61 1.74 -1.25 -4.71 116.66 115.97 3df1 n ARG 224 Ca 0.16 -3.54 0.00 0.00 -0.77 0.00 0.00 57.85 53.69 3df1 n ARG 224 Cb 0.27 -3.27 0.00 0.00 -1.02 0.00 0.00 32.46 28.43 3df1 n ARG 224 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54