#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n GLN 2 N 0.00 3.39 -1.14 1.61 3.00 -1.26 -5.06 117.38 117.92 3df3 n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3df3 n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3df3 n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3df3 n LYS 3 N 0.00 -3.23 -4.21 -1.09 5.02 -1.26 -5.00 118.16 108.39 3df3 n LYS 3 Ca 0.00 2.38 -0.33 0.00 -2.02 0.00 0.00 58.31 58.34 3df3 n LYS 3 Cb 0.00 -2.66 -0.08 0.00 -0.02 0.00 0.00 35.03 32.27 3df3 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df3 s VAL 4 N -2.55 4.42 -0.21 -0.18 0.11 -1.26 -5.04 120.40 115.70 3df3 s VAL 4 Ca 0.00 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 3df3 s VAL 4 Cb 0.00 -2.98 -0.07 0.00 -1.53 0.00 0.00 36.38 31.80 3df3 s VAL 4 CO 0.00 0.39 2.17 1.57 -3.33 0.00 0.00 175.10 175.90 3df3 n HIS 5 N 1.40 1.98 -0.01 1.54 -0.00 -1.26 -4.87 115.22 114.00 3df3 n HIS 5 Ca -0.14 -0.07 -0.10 0.00 0.46 0.00 0.00 57.72 57.87 3df3 n HIS 5 Cb 0.53 -2.70 -0.04 0.00 -0.12 0.00 0.00 29.99 27.66 3df3 n HIS 5 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3df3 h PRO 6 N 13.70 -0.02 0.00 1.57 0.13 -1.96 0.16 132.00 145.58 3df3 h PRO 6 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3df3 h PRO 6 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3df3 h PRO 6 CO 0.97 -0.01 0.00 -0.97 -0.23 0.00 0.00 178.00 177.75 3df3 h ASN 7 N -0.02 0.00 0.00 1.44 -1.24 -1.89 -1.18 115.58 112.69 3df3 h ASN 7 Ca 0.07 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.84 3df3 h ASN 7 Cb 0.12 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 3df3 h ASN 7 CO -0.14 0.00 -1.32 0.61 -1.29 0.00 0.00 177.43 175.29 3df3 n GLY 8 N -0.85 -0.82 0.32 1.57 0.00 -0.62 -3.26 105.19 101.53 3df3 n GLY 8 Ca -0.01 0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.30 3df3 n GLY 8 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3df3 h ILE 9 N -1.00 0.19 -0.53 -0.61 6.09 -0.49 0.43 117.51 121.59 3df3 h ILE 9 Ca -0.36 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3df3 h ILE 9 Cb 1.30 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3df3 h ILE 9 CO -0.22 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.41 3df3 n ARG 10 N -3.35 2.59 0.08 2.19 1.74 -0.46 -4.39 116.66 115.06 3df3 n ARG 10 Ca -0.03 -2.43 0.05 0.00 -0.77 0.00 0.00 57.85 54.67 3df3 n ARG 10 Cb 0.09 -1.52 0.29 0.00 -1.02 0.00 0.00 32.46 30.30 3df3 n ARG 10 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3df3 n LEU 11 N 1.51 0.28 -0.07 0.55 4.77 0.14 -2.32 117.00 121.85 3df3 n LEU 11 Ca 0.21 0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3df3 n LEU 11 Cb 0.60 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3df3 n LEU 11 CO 0.16 -0.71 -0.06 1.23 -1.33 0.00 0.00 177.39 176.67 3df3 h GLY 12 N 0.00 0.00 -2.25 -0.72 0.00 -1.79 -3.45 103.07 94.85 3df3 h GLY 12 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3df3 h GLY 12 CO 0.00 0.00 -0.62 -0.26 0.00 0.00 0.00 176.54 175.66 3df3 s ILE 13 N -2.10 0.92 0.00 2.60 -0.00 -0.98 -4.81 121.20 116.83 3df3 s ILE 13 Ca -0.16 -2.01 0.00 0.00 -0.00 0.00 0.00 60.65 58.48 3df3 s ILE 13 Cb 0.01 -2.62 0.00 0.00 -0.00 0.00 0.00 42.46 39.85 3df3 s ILE 13 CO 0.42 -0.09 0.00 1.33 -0.00 0.00 0.00 174.94 176.60 3df3 n VAL 14 N -0.54 0.00 -3.76 8.37 0.24 -1.26 -4.75 118.33 116.62 3df3 n VAL 14 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 3df3 n VAL 14 Cb 0.66 -0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 32.48 3df3 n VAL 14 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3df3 s LYS 15 N -0.79 0.05 0.58 7.34 2.47 -1.24 -4.83 119.74 123.32 3df3 s LYS 15 Ca 0.00 0.29 -0.15 0.00 -1.56 0.00 0.00 55.97 54.55 3df3 s LYS 15 Cb 0.00 -0.18 -0.05 0.00 -1.46 0.00 0.00 37.83 36.14 3df3 s LYS 15 CO 0.00 -0.15 1.03 -1.25 0.16 0.00 0.00 175.35 175.14 3df3 s PRO 16 N 1.04 3.53 -0.07 4.03 0.04 -1.26 -4.64 135.00 137.66 3df3 s PRO 16 Ca -0.08 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 61.76 3df3 s PRO 16 Cb -0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3df3 s PRO 16 CO -0.04 -0.63 0.82 -0.46 0.04 0.00 0.00 177.00 176.73 3df3 s TRP 17 N -2.61 3.56 -2.00 0.56 -0.11 -1.26 -4.91 118.94 112.17 3df3 s TRP 17 Ca 0.61 1.39 0.02 0.00 1.22 0.00 0.00 56.10 59.34 3df3 s TRP 17 Cb -0.13 -2.96 0.13 0.00 -1.50 0.00 0.00 33.47 29.01 3df3 s TRP 17 CO 0.38 -0.03 0.50 0.09 -4.62 0.00 0.00 176.95 173.26 3df3 n ASN 18 N 4.21 0.00 -3.15 5.86 4.13 -1.26 -4.30 115.26 120.75 3df3 n ASN 18 Ca 0.03 -0.13 0.06 0.00 1.68 0.00 0.00 54.58 56.21 3df3 n ASN 18 Cb 0.51 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.73 3df3 n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3df3 s SER 19 N -1.97 -0.27 -0.24 6.41 0.15 -1.26 -3.83 113.70 112.69 3df3 s SER 19 Ca 0.03 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 3df3 s SER 19 Cb 0.02 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.56 3df3 s SER 19 CO 0.03 -0.05 -0.04 0.28 1.20 0.00 0.00 173.24 174.65 3df3 s THR 20 N 2.97 3.20 -0.29 6.45 -1.32 -1.26 -4.98 115.64 120.42 3df3 s THR 20 Ca -0.05 -0.71 -0.28 0.00 -1.21 0.00 0.00 61.69 59.43 3df3 s THR 20 Cb -0.09 -2.53 0.19 0.00 -1.51 0.00 0.00 72.50 68.56 3df3 s THR 20 CO -0.09 0.32 1.38 -1.66 -2.21 0.00 0.00 174.62 172.36 3df3 s TRP 21 N 1.42 -0.04 0.20 9.09 1.48 -1.26 -4.23 118.94 125.60 3df3 s TRP 21 Ca 0.04 0.08 0.00 0.00 -1.06 0.00 0.00 56.10 55.16 3df3 s TRP 21 Cb -0.15 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 3df3 s TRP 21 CO -0.04 -0.03 0.38 0.12 -4.06 0.00 0.00 176.95 173.32 3df3 s PHE 22 N -0.71 3.48 -0.30 1.66 5.36 -1.26 -5.02 117.98 121.19 3df3 s PHE 22 Ca 0.08 0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 56.17 3df3 s PHE 22 Cb -0.02 -1.81 0.18 0.00 -0.34 0.00 0.00 43.02 41.03 3df3 s PHE 22 CO -0.10 0.39 1.21 0.00 -1.46 0.00 0.00 175.22 175.26 3df3 s ALA 23 N -1.88 -3.40 0.96 11.12 0.00 -1.26 -5.03 121.76 122.27 3df3 s ALA 23 Ca 0.38 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.87 3df3 s ALA 23 Cb -0.11 -2.38 0.13 0.00 0.00 0.00 0.00 23.12 20.76 3df3 s ALA 23 CO 0.29 -1.16 0.89 0.09 0.00 0.00 0.00 175.76 175.86 3df3 n ASN 24 N 4.95 -0.62 -0.34 0.00 3.02 -1.26 -4.13 115.26 116.87 3df3 n ASN 24 Ca -0.08 0.33 0.13 0.00 -0.03 0.00 0.00 54.58 54.93 3df3 n ASN 24 Cb 0.55 -1.37 0.26 0.00 -0.61 0.00 0.00 39.78 38.61 3df3 n ASN 24 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3df3 h THR 25 N -1.88 0.02 -0.85 3.41 2.02 -2.02 0.14 112.91 113.74 3df3 h THR 25 Ca -0.45 -0.00 0.21 0.00 0.77 0.00 0.00 66.41 66.94 3df3 h THR 25 Cb 1.28 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 67.55 3df3 h THR 25 CO 0.40 0.00 0.04 0.07 0.37 0.00 0.00 175.52 176.40 3df3 h LYS 26 N 0.01 0.09 0.00 6.66 2.10 -2.04 -2.79 116.57 120.59 3df3 h LYS 26 Ca 0.57 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 3df3 h LYS 26 Cb 1.12 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3df3 h LYS 26 CO -0.94 0.06 -1.04 0.39 -2.00 0.00 0.00 179.45 175.91 3df3 n GLU 27 N -5.38 1.77 -0.30 0.07 4.71 -0.48 -4.55 120.64 116.48 3df3 n GLU 27 Ca 0.18 -0.05 0.09 0.00 -0.01 0.00 0.00 57.16 57.36 3df3 n GLU 27 Cb 0.59 -1.17 0.24 0.00 -1.01 0.00 0.00 31.44 30.09 3df3 n GLU 27 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3df3 h PHE 28 N 0.00 0.75 -0.57 -0.32 3.57 -0.50 1.93 116.94 121.80 3df3 h PHE 28 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3df3 h PHE 28 Cb 0.42 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3df3 h PHE 28 CO 0.00 0.14 0.29 0.00 -2.23 0.00 0.00 178.31 176.50 3df3 h ALA 29 N 1.59 1.44 0.13 2.41 0.00 -1.80 -2.55 119.26 120.49 3df3 h ALA 29 Ca 0.49 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.96 3df3 h ALA 29 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3df3 h ALA 29 CO -0.40 0.45 -1.72 -0.44 0.00 0.00 0.00 179.25 177.15 3df3 h ASP 30 N 0.79 0.44 -0.27 0.00 5.19 -0.88 -3.35 116.42 118.34 3df3 h ASP 30 Ca 0.20 -0.89 0.08 0.00 -0.62 0.00 0.00 57.03 55.79 3df3 h ASP 30 Cb 0.06 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 3df3 h ASP 30 CO -0.03 1.75 0.32 0.78 -3.12 0.00 0.00 179.24 178.94 3df3 h ASN 31 N -0.10 0.00 -0.07 6.45 4.21 0.29 -0.91 115.58 125.46 3df3 h ASN 31 Ca -0.36 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.99 3df3 h ASN 31 Cb 1.93 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.14 3df3 h ASN 31 CO 0.08 0.00 -0.55 -0.07 -1.29 0.00 0.00 177.43 175.60 3df3 h LEU 32 N 0.00 0.60 -0.33 1.61 3.38 -1.59 -2.99 115.31 115.99 3df3 h LEU 32 Ca 0.13 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.42 3df3 h LEU 32 Cb 0.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3df3 h LEU 32 CO -0.00 1.19 0.20 -0.78 0.09 0.00 0.00 178.44 179.14 3df3 h ASP 33 N 0.05 0.34 -0.80 -0.43 -0.00 -1.32 -1.87 116.42 112.39 3df3 h ASP 33 Ca -0.05 -0.00 0.10 0.00 -0.00 0.00 0.00 57.03 57.08 3df3 h ASP 33 Cb 1.22 -0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 40.40 3df3 h ASP 33 CO 0.11 0.24 0.43 0.77 -0.00 0.00 0.00 179.24 180.80 3df3 h SER 34 N 0.41 0.58 -0.97 2.28 4.64 -1.53 0.27 113.55 119.23 3df3 h SER 34 Ca 0.13 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.63 3df3 h SER 34 Cb -0.02 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 61.95 3df3 h SER 34 CO -0.05 0.32 0.61 0.44 -0.87 0.00 0.00 176.83 177.28 3df3 h ASP 35 N 0.70 0.85 0.28 4.97 5.19 -1.20 -2.10 116.42 125.12 3df3 h ASP 35 Ca 0.40 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.84 3df3 h ASP 35 Cb 0.42 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3df3 h ASP 35 CO -0.28 0.45 -0.13 0.15 -3.12 0.00 0.00 179.24 176.31 3df3 h PHE 36 N 0.91 -0.35 -0.95 4.55 3.57 -0.15 -2.34 116.94 122.18 3df3 h PHE 36 Ca 0.48 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.16 3df3 h PHE 36 Cb 0.54 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 39.21 3df3 h PHE 36 CO -0.00 -0.07 -0.24 0.87 -2.23 0.00 0.00 178.31 176.64 3df3 h LYS 37 N -1.02 -0.00 -0.09 1.11 1.57 -0.39 -0.75 116.57 117.01 3df3 h LYS 37 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3df3 h LYS 37 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3df3 h LYS 37 CO 0.06 -0.00 -0.45 -0.39 -0.57 0.00 0.00 179.45 178.10 3df3 h VAL 38 N -0.00 1.39 -0.25 0.50 -1.51 -1.50 -2.90 116.25 111.98 3df3 h VAL 38 Ca 0.46 -1.81 0.06 0.00 -1.23 0.00 0.00 66.70 64.18 3df3 h VAL 38 Cb 0.69 2.26 -0.07 0.00 -2.13 0.00 0.00 31.29 32.04 3df3 h VAL 38 CO -0.98 0.54 -0.25 0.03 -1.23 0.00 0.00 177.57 175.67 3df3 h ARG 39 N 0.02 -0.24 -0.62 5.19 3.08 -0.59 -1.16 114.38 120.06 3df3 h ARG 39 Ca -0.03 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3df3 h ARG 39 Cb 1.10 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3df3 h ARG 39 CO 0.09 -0.16 0.16 -0.56 -1.07 0.00 0.00 179.97 178.43 3df3 h GLN 40 N -0.25 0.96 0.34 0.04 3.07 -1.42 -2.24 115.11 115.61 3df3 h GLN 40 Ca 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 3df3 h GLN 40 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 3df3 h GLN 40 CO -0.40 0.85 -0.23 -0.92 0.09 0.00 0.00 178.83 178.22 3df3 h TYR 41 N 0.92 -0.60 -0.09 0.06 5.03 -1.13 -1.93 116.97 119.24 3df3 h TYR 41 Ca 0.20 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 3df3 h TYR 41 Cb 0.31 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 3df3 h TYR 41 CO 0.02 -0.35 -0.00 -0.07 -1.32 0.00 0.00 178.16 176.44 3df3 h LEU 42 N -0.56 0.11 -0.20 2.82 -0.00 -1.19 -1.09 115.31 115.19 3df3 h LEU 42 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3df3 h LEU 42 Cb 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 3df3 h LEU 42 CO 0.02 0.13 0.13 0.74 -0.00 0.00 0.00 178.44 179.46 3df3 h THR 43 N 0.12 1.04 -0.10 0.22 2.02 -0.74 0.57 112.91 116.04 3df3 h THR 43 Ca 0.03 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3df3 h THR 43 Cb 0.09 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3df3 h THR 43 CO 0.00 0.05 -0.11 0.50 0.37 0.00 0.00 175.52 176.33 3df3 h LYS 44 N 0.26 0.25 0.00 6.66 3.64 -0.88 -2.01 116.57 124.50 3df3 h LYS 44 Ca 0.08 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3df3 h LYS 44 Cb -0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3df3 h LYS 44 CO -0.02 0.67 -0.10 0.93 -2.27 0.00 0.00 179.45 178.66 3df3 h GLU 45 N -0.16 0.00 -1.33 1.90 5.08 -1.09 -2.86 114.58 116.13 3df3 h GLU 45 Ca 0.02 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.82 3df3 h GLU 45 Cb 0.63 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.46 3df3 h GLU 45 CO 0.03 0.10 -0.79 1.28 -1.00 0.00 0.00 179.01 178.62 3df3 n LEU 46 N -3.71 4.38 0.00 1.33 7.99 0.20 -4.91 117.00 122.28 3df3 n LEU 46 Ca -0.02 -4.97 0.00 0.00 -0.01 0.00 0.00 56.01 51.01 3df3 n LEU 46 Cb 0.20 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 3df3 n LEU 46 CO 0.30 2.13 0.44 0.00 -1.51 0.00 0.00 177.39 178.75 3df3 n ALA 47 N -0.48 -0.37 1.09 -1.18 0.00 -0.76 -2.76 120.51 116.04 3df3 n ALA 47 Ca 0.36 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.89 3df3 n ALA 47 Cb 0.73 0.02 0.53 0.00 0.00 0.00 0.00 19.45 20.72 3df3 n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df3 n LYS 48 N -1.70 0.52 0.30 0.00 0.00 -1.26 -3.23 118.16 112.78 3df3 n LYS 48 Ca 0.00 0.02 0.16 0.00 -0.00 0.00 0.00 58.31 58.50 3df3 n LYS 48 Cb 0.00 -1.50 0.88 0.00 -0.00 0.00 0.00 35.03 34.41 3df3 n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df3 h ALA 49 N 3.09 1.16 -2.22 0.58 0.00 -1.87 -3.45 119.26 116.55 3df3 h ALA 49 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3df3 h ALA 49 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3df3 h ALA 49 CO 0.00 -0.16 -0.37 0.43 0.00 0.00 0.00 179.25 179.15 3df3 n SER 50 N -2.78 -4.37 -4.77 0.00 7.64 -1.20 -2.77 113.62 105.38 3df3 n SER 50 Ca -0.02 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.46 3df3 n SER 50 Cb 0.22 -3.48 0.02 0.00 -1.01 0.00 0.00 64.21 59.97 3df3 n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3df3 s VAL 51 N -2.75 3.02 0.00 0.44 0.11 -1.26 -0.92 120.40 119.04 3df3 s VAL 51 Ca 0.04 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 3df3 s VAL 51 Cb -0.02 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 3df3 s VAL 51 CO 0.05 -0.18 0.00 -0.24 -3.33 0.00 0.00 175.10 171.40 3df3 n SER 52 N -1.67 0.00 -4.55 3.54 2.88 -0.31 -4.73 113.62 108.79 3df3 n SER 52 Ca 0.12 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.41 3df3 n SER 52 Cb 0.51 -0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.61 3df3 n SER 52 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3df3 s ARG 53 N -0.78 1.86 -0.34 -1.46 3.52 -1.23 -4.84 118.95 115.68 3df3 s ARG 53 Ca 0.00 -1.80 0.01 0.00 -0.13 0.00 0.00 55.73 53.81 3df3 s ARG 53 Cb 0.00 -1.81 0.14 0.00 -1.56 0.00 0.00 34.95 31.72 3df3 s ARG 53 CO 0.00 0.22 0.31 -1.50 -0.81 0.00 0.00 175.30 173.52 3df3 s ILE 54 N -2.53 -0.26 0.54 4.11 2.07 -1.26 -2.01 121.20 121.85 3df3 s ILE 54 Ca 0.32 -0.93 -0.18 0.00 -1.41 0.00 0.00 60.65 58.45 3df3 s ILE 54 Cb -0.01 -0.86 -0.06 0.00 0.13 0.00 0.00 42.46 41.65 3df3 s ILE 54 CO 0.17 -0.62 1.05 -0.69 -1.91 0.00 0.00 174.94 172.93 3df3 s VAL 55 N 1.71 3.82 -0.28 4.00 1.01 -0.58 -4.93 120.40 125.15 3df3 s VAL 55 Ca 0.14 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 3df3 s VAL 55 Cb -0.16 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 32.88 3df3 s VAL 55 CO -0.14 -0.38 0.09 -0.63 0.00 0.00 0.00 175.10 174.04 3df3 s ILE 56 N -2.22 0.57 -0.16 2.22 1.01 -1.25 -2.23 121.20 119.15 3df3 s ILE 56 Ca 0.65 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 3df3 s ILE 56 Cb -0.16 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 3df3 s ILE 56 CO 0.28 -0.58 0.22 -1.61 0.00 0.00 0.00 174.94 173.25 3df3 s GLU 57 N 1.79 4.10 -0.74 2.79 2.02 -1.26 -3.98 118.70 123.41 3df3 s GLU 57 Ca 0.07 -0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.06 3df3 s GLU 57 Cb -0.17 -3.38 0.18 0.00 0.10 0.00 0.00 34.13 30.86 3df3 s GLU 57 CO -0.24 0.36 0.55 1.03 0.02 0.00 0.00 175.26 176.98 3df3 s ARG 58 N 0.13 2.63 0.00 1.61 0.52 -1.26 0.38 118.95 122.96 3df3 s ARG 58 Ca 0.14 -3.29 0.00 0.00 -0.52 0.00 0.00 55.73 52.06 3df3 s ARG 58 Cb -0.12 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.80 3df3 s ARG 58 CO 0.02 -1.27 0.00 -0.35 0.02 0.00 0.00 175.30 173.72 3df3 n PRO 59 N 2.13 1.40 -2.46 3.54 -0.04 -1.02 -4.74 135.00 133.81 3df3 n PRO 59 Ca 0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 3df3 n PRO 59 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 3df3 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df3 s ALA 60 N -3.13 2.67 -1.85 0.55 0.00 -1.26 -3.96 121.76 114.78 3df3 s ALA 60 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.63 3df3 s ALA 60 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.54 3df3 s ALA 60 CO 0.00 -3.81 0.00 1.63 0.00 0.00 0.00 175.76 173.58 3df3 n LYS 61 N 8.71 -1.52 -4.38 0.00 4.76 -1.26 -4.98 118.16 119.49 3df3 n LYS 61 Ca 0.39 1.05 -0.19 0.00 -2.87 0.00 0.00 58.31 56.69 3df3 n LYS 61 Cb 0.49 -5.57 -0.10 0.00 -1.84 0.00 0.00 35.03 28.01 3df3 n LYS 61 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3df3 s SER 62 N -2.33 2.11 -0.12 4.39 1.04 -1.24 -2.74 113.70 114.80 3df3 s SER 62 Ca 0.00 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.12 3df3 s SER 62 Cb 0.00 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.13 3df3 s SER 62 CO 0.00 -0.53 0.06 -0.63 0.98 0.00 0.00 173.24 173.12 3df3 s ILE 63 N -3.34 0.05 0.08 -1.02 1.01 -1.21 -2.43 121.20 114.35 3df3 s ILE 63 Ca 0.32 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 3df3 s ILE 63 Cb 0.06 -0.51 -0.16 0.00 0.01 0.00 0.00 42.46 41.86 3df3 s ILE 63 CO 0.12 -0.07 1.68 -0.09 0.00 0.00 0.00 174.94 176.58 3df3 h ARG 64 N 8.39 -0.26 -6.12 2.79 9.65 -0.38 0.41 114.38 128.87 3df3 h ARG 64 Ca -0.15 0.02 -0.44 0.00 -1.10 0.00 0.00 59.98 58.31 3df3 h ARG 64 Cb 1.13 0.06 0.03 0.00 -1.39 0.00 0.00 29.97 29.81 3df3 h ARG 64 CO 0.25 -0.16 -0.73 0.28 2.80 0.00 0.00 179.97 182.41 3df3 n VAL 65 N -5.20 -2.56 -1.73 0.20 0.31 -1.24 -2.11 118.33 105.99 3df3 n VAL 65 Ca -0.09 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 3df3 n VAL 65 Cb 0.14 -3.34 -0.03 0.00 -0.91 0.00 0.00 33.84 29.70 3df3 n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3df3 s THR 66 N -3.32 2.02 0.01 2.52 2.01 -0.95 -3.68 115.64 114.25 3df3 s THR 66 Ca 0.60 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.67 3df3 s THR 66 Cb -0.29 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3df3 s THR 66 CO 0.79 0.00 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.93 3df3 s ILE 67 N 1.00 2.90 -0.67 1.82 1.01 0.16 -1.53 121.20 125.90 3df3 s ILE 67 Ca 0.73 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3df3 s ILE 67 Cb -0.50 -2.20 0.18 0.00 0.01 0.00 0.00 42.46 39.96 3df3 s ILE 67 CO 0.34 0.41 0.52 1.41 0.00 0.00 0.00 174.94 177.63 3df3 n HIS 68 N 1.77 2.89 -3.63 3.97 8.25 -0.85 0.11 115.22 127.72 3df3 n HIS 68 Ca -0.16 -4.19 -0.27 0.00 -0.26 0.00 0.00 57.72 52.83 3df3 n HIS 68 Cb 0.52 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 3df3 n HIS 68 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3df3 s THR 69 N -1.48 5.17 -0.00 1.59 -1.32 -1.14 -1.16 115.64 117.31 3df3 s THR 69 Ca 0.28 -0.34 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 3df3 s THR 69 Cb -0.00 -3.75 -0.21 0.00 -1.51 0.00 0.00 72.50 67.03 3df3 s THR 69 CO -0.15 -0.23 1.14 0.00 -2.21 0.00 0.00 174.62 173.18 3df3 h ALA 70 N 1.84 0.11 -2.78 11.08 0.00 -1.16 -3.38 119.26 124.97 3df3 h ALA 70 Ca -0.48 -0.48 -0.73 0.00 0.00 0.00 0.00 54.91 53.22 3df3 h ALA 70 Cb 1.19 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.66 3df3 h ALA 70 CO 0.67 0.22 0.05 0.50 0.00 0.00 0.00 179.25 180.69 3df3 s ARG 71 N -3.46 3.52 0.23 0.00 3.52 -1.11 -4.72 118.95 116.92 3df3 s ARG 71 Ca -0.14 -3.24 -0.04 0.00 -0.13 0.00 0.00 55.73 52.18 3df3 s ARG 71 Cb 0.03 -4.12 0.24 0.00 -1.56 0.00 0.00 34.95 29.55 3df3 s ARG 71 CO 0.78 -1.26 1.68 -1.00 -0.81 0.00 0.00 175.30 174.70 3df3 h PRO 72 N 6.22 0.80 -1.03 5.12 0.13 -1.83 -3.14 132.00 138.27 3df3 h PRO 72 Ca 0.16 -0.27 0.26 0.00 -0.87 0.00 0.00 66.00 65.28 3df3 h PRO 72 Cb 0.83 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.81 3df3 h PRO 72 CO 0.89 0.88 0.66 0.78 -0.23 0.00 0.00 178.00 180.98 3df3 h GLY 73 N 0.97 1.23 1.80 1.56 0.00 -1.96 0.22 103.07 106.89 3df3 h GLY 73 Ca 0.12 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3df3 h GLY 73 CO 0.04 -0.13 -0.78 1.19 0.00 0.00 0.00 176.54 176.86 3df3 h ILE 74 N 0.41 0.96 0.00 2.60 6.09 -1.94 -3.14 117.51 122.49 3df3 h ILE 74 Ca 0.59 -2.42 0.00 0.00 -1.37 0.00 0.00 64.86 61.65 3df3 h ILE 74 Cb 1.45 2.44 0.00 0.00 0.47 0.00 0.00 36.82 41.18 3df3 h ILE 74 CO -0.30 0.55 0.00 0.52 -3.07 0.00 0.00 178.15 175.85 3df3 n VAL 75 N -3.19 0.15 0.00 2.19 0.31 0.74 -3.94 118.33 114.60 3df3 n VAL 75 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3df3 n VAL 75 Cb 0.80 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3df3 n VAL 75 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3df3 n ILE 76 N -1.09 0.00 0.00 2.52 2.08 -1.07 -4.11 119.36 117.69 3df3 n ILE 76 Ca 0.12 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.47 3df3 n ILE 76 Cb 0.09 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 3df3 n ILE 76 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3df3 n GLY 77 N 2.58 -1.04 3.55 7.39 0.00 -1.23 0.16 105.19 116.59 3df3 n GLY 77 Ca 0.00 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3df3 n GLY 77 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df3 n LYS 78 N 0.00 1.14 -0.33 1.61 2.85 -1.26 -2.44 118.16 119.73 3df3 n LYS 78 Ca 0.00 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 3df3 n LYS 78 Cb 0.00 -3.22 0.00 0.00 -0.65 0.00 0.00 35.03 31.16 3df3 n LYS 78 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3df3 n LYS 79 N 8.88 0.00 0.00 -1.58 5.02 -1.26 -2.92 118.16 126.30 3df3 n LYS 79 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3df3 n LYS 79 Cb 0.47 -4.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 3df3 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df3 n GLY 80 N -2.00 0.41 0.00 0.72 0.00 -1.02 -5.06 105.19 98.24 3df3 n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df3 n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3df3 n GLU 81 N 0.00 0.00 0.10 1.61 4.07 0.19 -3.21 120.64 123.39 3df3 n GLU 81 Ca 0.00 0.05 0.19 0.00 -0.06 0.00 0.00 57.16 57.34 3df3 n GLU 81 Cb 0.00 -0.97 0.75 0.00 -0.06 0.00 0.00 31.44 31.16 3df3 n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3df3 h ASP 82 N 0.00 0.00 0.00 4.31 3.32 0.12 -2.37 116.42 121.81 3df3 h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3df3 h ASP 82 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3df3 h ASP 82 CO 0.00 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.04 3df3 n VAL 83 N -3.93 0.00 0.17 -1.35 0.31 -1.20 0.44 118.33 112.77 3df3 n VAL 83 Ca 0.06 1.37 0.02 0.00 -0.01 0.00 0.00 64.34 65.79 3df3 n VAL 83 Cb 0.54 -1.99 0.27 0.00 -0.91 0.00 0.00 33.84 31.74 3df3 n VAL 83 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3df3 h GLU 84 N 0.00 0.00 0.00 5.55 4.39 -1.55 -2.83 114.58 120.14 3df3 h GLU 84 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3df3 h GLU 84 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3df3 h GLU 84 CO 0.00 0.48 0.00 1.17 -1.16 0.00 0.00 179.01 179.50 3df3 n LYS 85 N -3.69 0.00 -0.20 2.33 4.81 -0.89 -1.56 118.16 118.96 3df3 n LYS 85 Ca -0.01 0.44 0.01 0.00 -0.87 0.00 0.00 58.31 57.88 3df3 n LYS 85 Cb 0.55 -1.43 0.11 0.00 0.02 0.00 0.00 35.03 34.28 3df3 n LYS 85 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3df3 h LEU 86 N 0.00 -0.02 -0.44 3.14 3.38 -0.13 -2.37 115.31 118.87 3df3 h LEU 86 Ca 0.00 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3df3 h LEU 86 Cb 0.00 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3df3 h LEU 86 CO 0.00 -0.00 -0.03 -0.09 0.09 0.00 0.00 178.44 178.41 3df3 h ARG 87 N 0.25 0.07 -0.22 1.13 1.12 -1.53 -2.46 114.38 112.74 3df3 h ARG 87 Ca 0.32 -0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.23 3df3 h ARG 87 Cb 0.48 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.38 3df3 h ARG 87 CO -0.41 0.05 -0.04 -0.22 -3.11 0.00 0.00 179.97 176.23 3df3 h LYS 88 N 0.08 0.02 -0.16 0.20 3.11 -0.75 -2.79 116.57 116.28 3df3 h LYS 88 Ca 0.22 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.09 3df3 h LYS 88 Cb 0.33 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.49 3df3 h LYS 88 CO -0.39 0.01 -0.51 0.28 -2.81 0.00 0.00 179.45 176.02 3df3 h VAL 89 N 0.02 0.00 -0.53 2.00 2.07 -1.31 -1.93 116.25 116.56 3df3 h VAL 89 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 3df3 h VAL 89 Cb 0.16 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.82 3df3 h VAL 89 CO -0.22 0.00 -0.43 0.58 0.02 0.00 0.00 177.57 177.52 3df3 h VAL 90 N -0.53 0.10 -0.92 2.57 2.07 -1.34 0.72 116.25 118.92 3df3 h VAL 90 Ca 0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.79 3df3 h VAL 90 Cb 0.63 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3df3 h VAL 90 CO -0.43 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.79 3df3 h ALA 91 N 0.58 2.46 0.16 1.67 0.00 -1.19 0.41 119.26 123.35 3df3 h ALA 91 Ca 0.17 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 3df3 h ALA 91 Cb 0.57 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.39 3df3 h ALA 91 CO -0.66 -0.75 -1.08 0.22 0.00 0.00 0.00 179.25 176.98 3df3 h ASP 92 N 0.25 0.53 -0.02 0.00 1.82 0.43 0.12 116.42 119.55 3df3 h ASP 92 Ca 0.47 -0.93 -0.04 0.00 -0.39 0.00 0.00 57.03 56.14 3df3 h ASP 92 Cb 1.43 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 3df3 h ASP 92 CO -0.13 1.51 -0.09 0.40 -1.61 0.00 0.00 179.24 179.33 3df3 h ILE 93 N -0.25 1.16 -0.01 2.25 2.04 0.19 -2.46 117.51 120.42 3df3 h ILE 93 Ca -0.20 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3df3 h ILE 93 Cb 1.78 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3df3 h ILE 93 CO 0.16 0.22 -0.42 0.00 0.00 0.00 0.00 178.15 178.11 3df3 n ALA 94 N -2.49 3.39 0.00 1.87 0.00 0.13 -4.95 120.51 118.46 3df3 n ALA 94 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3df3 n ALA 94 Cb 0.24 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3df3 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 95 N 1.28 2.08 3.68 0.00 0.00 0.40 -4.95 105.19 107.69 3df3 n GLY 95 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3df3 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df3 s VAL 96 N 0.00 2.41 0.19 1.61 -7.23 -1.21 -4.52 120.40 111.65 3df3 s VAL 96 Ca 0.00 0.13 -0.31 0.00 -1.81 0.00 0.00 61.98 59.99 3df3 s VAL 96 Cb 0.00 -2.30 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 3df3 s VAL 96 CO 0.00 -0.17 1.57 -2.16 -0.31 0.00 0.00 175.10 174.03 3df3 s PRO 97 N -4.71 4.20 0.33 4.82 0.04 -1.11 -4.31 135.00 134.26 3df3 s PRO 97 Ca 0.65 2.40 0.10 0.00 0.04 0.00 0.00 61.00 64.19 3df3 s PRO 97 Cb -0.21 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 3df3 s PRO 97 CO 0.58 -0.60 -0.10 0.00 0.04 0.00 0.00 177.00 176.92 3df3 s ALA 98 N 0.90 2.96 0.00 8.56 0.00 -1.26 -3.32 121.76 129.61 3df3 s ALA 98 Ca 0.69 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3df3 s ALA 98 Cb -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3df3 s ALA 98 CO 0.34 0.12 0.00 1.04 0.00 0.00 0.00 175.76 177.26 3df3 n GLN 99 N -0.79 3.59 0.00 0.00 3.00 0.15 -4.76 117.38 118.57 3df3 n GLN 99 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3df3 n GLN 99 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.87 3df3 n GLN 99 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3df3 n ILE 100 N 0.00 0.00 -4.29 5.09 3.06 -0.90 -4.59 119.36 117.73 3df3 n ILE 100 Ca 0.00 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.08 3df3 n ILE 100 Cb 0.00 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.08 3df3 n ILE 100 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 3df3 s ASN 101 N 0.00 2.23 0.11 9.51 0.01 -1.24 -4.98 114.94 120.58 3df3 s ASN 101 Ca 0.00 -0.96 0.09 0.00 -0.71 0.00 0.00 52.86 51.28 3df3 s ASN 101 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 3df3 s ASN 101 CO 0.00 -0.20 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.55 3df3 s ILE 102 N -2.82 2.67 -0.02 0.60 1.09 -1.26 0.37 121.20 121.83 3df3 s ILE 102 Ca 0.17 -1.54 0.04 0.00 -1.10 0.00 0.00 60.65 58.23 3df3 s ILE 102 Cb -0.01 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.18 3df3 s ILE 102 CO 0.04 0.13 -0.15 0.00 -0.10 0.00 0.00 174.94 174.86 3df3 s ALA 103 N -1.09 1.28 1.00 9.38 0.00 0.30 -4.86 121.76 127.76 3df3 s ALA 103 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3df3 s ALA 103 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3df3 s ALA 103 CO 0.08 0.29 0.00 -1.91 0.00 0.00 0.00 175.76 174.23 3df3 n GLU 104 N 2.81 0.60 -3.29 0.00 2.13 -1.26 -2.90 120.64 118.73 3df3 n GLU 104 Ca -0.15 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.61 3df3 n GLU 104 Cb 0.54 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.20 3df3 n GLU 104 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3df3 s VAL 105 N -0.17 -0.70 -1.01 6.31 -7.23 -1.26 -4.48 120.40 111.86 3df3 s VAL 105 Ca 0.00 -0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 59.82 3df3 s VAL 105 Cb 0.00 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 3df3 s VAL 105 CO 0.00 -0.13 1.96 0.00 -0.31 0.00 0.00 175.10 176.61 3df3 s ARG 106 N 2.62 2.49 -0.14 4.82 1.70 -1.26 -4.34 118.95 124.83 3df3 s ARG 106 Ca 0.13 -0.60 -0.10 0.00 -0.47 0.00 0.00 55.73 54.70 3df3 s ARG 106 Cb -0.14 -5.12 0.04 0.00 -0.57 0.00 0.00 34.95 29.15 3df3 s ARG 106 CO -0.21 -3.67 0.20 1.63 -1.08 0.00 0.00 175.30 172.17 3df3 n LYS 107 N 8.63 -4.36 0.19 3.89 5.02 -1.26 -4.72 118.16 125.55 3df3 n LYS 107 Ca 0.42 3.30 0.05 0.00 -2.02 0.00 0.00 58.31 60.06 3df3 n LYS 107 Cb 0.47 -4.70 0.50 0.00 -0.02 0.00 0.00 35.03 31.27 3df3 n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3df3 h PRO 108 N 3.80 0.08 0.00 1.97 0.13 -1.98 -2.36 132.00 133.64 3df3 h PRO 108 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3df3 h PRO 108 Cb 1.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3df3 h PRO 108 CO 0.01 0.20 0.00 0.39 -0.23 0.00 0.00 178.00 178.37 3df3 n GLU 109 N -4.36 0.02 -2.63 0.86 1.02 -1.26 -2.43 120.64 111.85 3df3 n GLU 109 Ca -0.02 0.24 -0.25 0.00 -0.02 0.00 0.00 57.16 57.11 3df3 n GLU 109 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 3df3 n GLU 109 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3df3 n LEU 110 N -1.25 4.30 -3.73 -4.62 4.77 -0.89 -3.66 117.00 111.91 3df3 n LEU 110 Ca 0.01 -5.22 -0.13 0.00 -0.03 0.00 0.00 56.01 50.63 3df3 n LEU 110 Cb 0.01 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 3df3 n LEU 110 CO 0.01 2.22 0.08 -0.62 -1.33 0.00 0.00 177.39 177.75 3df3 s ASP 111 N -3.46 -0.43 0.00 -1.43 2.15 -1.02 -5.02 116.67 107.46 3df3 s ASP 111 Ca 0.46 0.83 0.00 0.00 0.43 0.00 0.00 52.55 54.27 3df3 s ASP 111 Cb 0.37 0.83 0.00 0.00 -0.30 0.00 0.00 42.92 43.82 3df3 s ASP 111 CO -0.16 -0.15 0.12 0.00 -0.17 0.00 0.00 175.17 174.81 3df3 n ALA 112 N 3.00 0.00 -0.20 3.66 0.00 -1.26 -1.48 120.51 124.23 3df3 n ALA 112 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 3df3 n ALA 112 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 3df3 n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df3 n LYS 113 N -0.14 -0.19 0.00 0.00 3.00 -1.26 0.72 118.16 120.28 3df3 n LYS 113 Ca 0.00 0.71 -0.01 0.00 -0.00 0.00 0.00 58.31 59.01 3df3 n LYS 113 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 35.03 33.97 3df3 n LYS 113 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3df3 h LEU 114 N 0.00 -0.16 -1.12 3.14 3.38 -1.85 0.57 115.31 119.27 3df3 h LEU 114 Ca 0.09 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.26 3df3 h LEU 114 Cb 0.20 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3df3 h LEU 114 CO -0.45 -0.05 0.61 0.58 0.09 0.00 0.00 178.44 179.23 3df3 h VAL 115 N -0.06 0.74 0.00 1.22 2.07 0.10 0.69 116.25 121.00 3df3 h VAL 115 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3df3 h VAL 115 Cb 0.07 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3df3 h VAL 115 CO -0.03 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3df3 n ALA 116 N -2.38 -0.17 0.02 1.67 0.00 0.22 -0.05 120.51 119.82 3df3 n ALA 116 Ca 0.22 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.87 3df3 n ALA 116 Cb 0.56 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.61 3df3 n ALA 116 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3df3 h ASP 117 N 0.00 0.00 0.00 0.00 3.45 0.19 0.15 116.42 120.22 3df3 h ASP 117 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3df3 h ASP 117 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3df3 h ASP 117 CO 0.00 0.00 -0.00 -1.28 -1.57 0.00 0.00 179.24 176.39 3df3 h SER 118 N 0.00 -0.00 -0.78 6.45 0.87 -0.73 -3.13 113.55 116.23 3df3 h SER 118 Ca 0.27 -0.83 0.17 0.00 -1.23 0.00 0.00 61.79 60.17 3df3 h SER 118 Cb 1.76 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.61 3df3 h SER 118 CO -0.00 0.83 0.26 -0.29 -0.53 0.00 0.00 176.83 177.09 3df3 h ILE 119 N -0.84 0.54 -0.46 2.23 6.09 0.25 -0.49 117.51 124.83 3df3 h ILE 119 Ca -0.00 -0.12 -0.02 0.00 -1.37 0.00 0.00 64.86 63.35 3df3 h ILE 119 Cb 0.83 0.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 3df3 h ILE 119 CO 0.00 0.06 0.22 0.71 -3.07 0.00 0.00 178.15 176.07 3df3 h THR 120 N 0.34 1.19 -1.00 2.19 1.35 -1.60 -2.54 112.91 112.83 3df3 h THR 120 Ca 0.45 -0.54 0.24 0.00 -0.55 0.00 0.00 66.41 66.01 3df3 h THR 120 Cb 0.76 0.69 -0.12 0.00 -1.73 0.00 0.00 68.15 67.75 3df3 h THR 120 CO -0.49 0.21 0.60 0.28 -0.25 0.00 0.00 175.52 175.86 3df3 h SER 121 N 0.61 0.69 -0.21 5.36 0.02 -1.03 0.12 113.55 119.10 3df3 h SER 121 Ca 0.16 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3df3 h SER 121 Cb 0.13 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3df3 h SER 121 CO -0.02 0.12 0.07 1.56 -1.14 0.00 0.00 176.83 177.42 3df3 h GLN 122 N 0.60 0.33 0.10 3.45 4.20 -1.18 -1.17 115.11 121.44 3df3 h GLN 122 Ca 0.64 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 59.29 3df3 h GLN 122 Cb 1.19 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.87 3df3 h GLN 122 CO -0.47 0.42 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.53 3df3 h LEU 123 N 0.18 -1.55 -2.08 1.46 3.38 -0.64 -0.06 115.31 116.00 3df3 h LEU 123 Ca 0.07 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.26 3df3 h LEU 123 Cb 0.23 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3df3 h LEU 123 CO -0.00 -0.55 0.14 -0.33 0.09 0.00 0.00 178.44 177.79 3df3 h GLU 124 N -0.73 0.00 -0.02 1.13 5.08 -1.35 0.12 114.58 118.81 3df3 h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3df3 h GLU 124 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3df3 h GLU 124 CO -0.29 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.59 3df3 n ARG 125 N -4.32 0.83 -3.03 2.33 0.63 -0.06 -4.86 116.66 108.17 3df3 n ARG 125 Ca 0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 3df3 n ARG 125 Cb 0.27 -1.01 0.05 0.00 0.45 0.00 0.00 32.46 32.23 3df3 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3df3 n ARG 126 N -0.49 -1.90 -4.51 -0.14 5.12 0.42 -5.03 116.66 110.14 3df3 n ARG 126 Ca 0.00 0.84 -0.25 0.00 -1.93 0.00 0.00 57.85 56.52 3df3 n ARG 126 Cb 0.00 -5.34 -0.10 0.00 -1.16 0.00 0.00 32.46 25.86 3df3 n ARG 126 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3df3 s VAL 127 N -3.30 2.19 -0.13 1.55 -7.23 -1.08 -5.03 120.40 107.36 3df3 s VAL 127 Ca 0.36 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 3df3 s VAL 127 Cb -0.05 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 3df3 s VAL 127 CO 0.66 -0.26 2.14 0.23 -0.31 0.00 0.00 175.10 177.56 3df3 n MET 128 N -0.73 2.29 -0.36 4.82 2.81 -1.26 -4.74 117.12 119.96 3df3 n MET 128 Ca -0.05 0.72 0.26 0.00 -1.81 0.00 0.00 57.70 56.82 3df3 n MET 128 Cb 0.63 -3.16 0.51 0.00 -0.71 0.00 0.00 33.22 30.49 3df3 n MET 128 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3df3 h PHE 129 N 13.48 0.78 0.08 2.03 -0.00 -1.95 0.19 116.94 131.54 3df3 h PHE 129 Ca -0.44 0.03 -0.27 0.00 -0.00 0.00 0.00 57.97 57.29 3df3 h PHE 129 Cb 1.24 -0.21 0.02 0.00 -0.00 0.00 0.00 35.95 37.00 3df3 h PHE 129 CO 0.95 -0.09 -1.15 -0.09 -0.00 0.00 0.00 178.31 177.93 3df3 h ARG 130 N 0.32 0.50 -0.49 6.09 9.65 -2.01 -3.32 114.38 125.13 3df3 h ARG 130 Ca 0.71 -0.65 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 3df3 h ARG 130 Cb 1.77 0.21 -0.09 0.00 -1.39 0.00 0.00 29.97 30.48 3df3 h ARG 130 CO -0.47 1.27 -0.55 -0.09 2.80 0.00 0.00 179.97 182.93 3df3 h ARG 131 N 0.23 -0.33 -0.49 0.20 9.65 -0.99 -1.14 114.38 121.52 3df3 h ARG 131 Ca -0.14 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.86 3df3 h ARG 131 Cb 1.82 0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 30.37 3df3 h ARG 131 CO 0.21 -0.22 -0.16 0.00 2.80 0.00 0.00 179.97 182.60 3df3 h ALA 132 N 0.09 0.25 -0.33 2.80 0.00 -1.65 -1.24 119.26 119.17 3df3 h ALA 132 Ca 0.09 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3df3 h ALA 132 Cb 0.57 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3df3 h ALA 132 CO -0.64 -0.49 -0.44 0.52 0.00 0.00 0.00 179.25 178.20 3df3 h MET 133 N -0.05 -0.29 -0.97 0.00 2.86 -1.31 -0.11 114.93 115.06 3df3 h MET 133 Ca 0.23 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 3df3 h MET 133 Cb 0.41 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 3df3 h MET 133 CO -0.53 -0.19 0.63 -0.22 1.06 0.00 0.00 176.91 177.66 3df3 h LYS 134 N -0.30 1.18 0.13 1.72 3.64 -1.17 -2.74 116.57 119.02 3df3 h LYS 134 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3df3 h LYS 134 Cb 0.46 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3df3 h LYS 134 CO -0.47 0.78 -0.33 -0.09 -2.27 0.00 0.00 179.45 177.06 3df3 h ARG 135 N 1.21 -0.49 -0.75 1.90 9.65 0.03 0.18 114.38 126.11 3df3 h ARG 135 Ca 0.39 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.48 3df3 h ARG 135 Cb 0.03 0.11 -0.13 0.00 -1.39 0.00 0.00 29.97 28.59 3df3 h ARG 135 CO -0.13 -0.33 0.02 0.00 2.80 0.00 0.00 179.97 182.33 3df3 h ALA 136 N -0.98 0.80 0.64 2.80 0.00 -0.95 -1.18 119.26 120.39 3df3 h ALA 136 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3df3 h ALA 136 Cb 0.50 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3df3 h ALA 136 CO -0.15 -0.42 -0.31 0.28 0.00 0.00 0.00 179.25 178.65 3df3 h VAL 137 N 0.11 0.37 -0.02 0.00 2.07 -1.14 -1.87 116.25 115.77 3df3 h VAL 137 Ca 0.41 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.93 3df3 h VAL 137 Cb 0.73 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3df3 h VAL 137 CO -0.65 0.00 -0.36 1.56 0.02 0.00 0.00 177.57 178.14 3df3 h GLN 138 N -0.87 -0.42 -0.97 1.57 7.50 0.27 0.72 115.11 122.91 3df3 h GLN 138 Ca -0.09 0.03 0.16 0.00 0.50 0.00 0.00 58.65 59.25 3df3 h GLN 138 Cb 0.66 0.10 -0.09 0.00 0.05 0.00 0.00 27.48 28.20 3df3 h GLN 138 CO 0.14 -0.28 0.61 -0.91 -1.50 0.00 0.00 178.83 176.89 3df3 h ASN 139 N -0.44 0.77 0.21 1.46 -0.26 -1.32 -0.40 115.58 115.60 3df3 h ASN 139 Ca 0.01 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3df3 h ASN 139 Cb 0.48 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3df3 h ASN 139 CO -0.25 0.35 -0.10 0.00 -1.06 0.00 0.00 177.43 176.36 3df3 h ALA 140 N 1.60 -0.29 -0.00 -0.83 0.00 -0.68 -2.07 119.26 116.99 3df3 h ALA 140 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3df3 h ALA 140 Cb 0.75 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3df3 h ALA 140 CO -0.28 -0.37 0.12 1.98 0.00 0.00 0.00 179.25 180.70 3df3 h MET 141 N -0.87 0.00 0.00 0.00 -1.53 0.76 -2.47 114.93 110.82 3df3 h MET 141 Ca -0.03 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.19 3df3 h MET 141 Cb 0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 3df3 h MET 141 CO 0.05 0.00 -0.35 -0.09 0.14 0.00 0.00 176.91 176.66 3df3 h ARG 142 N 0.00 0.00 0.00 0.39 2.43 -1.04 -3.33 114.38 112.83 3df3 h ARG 142 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3df3 h ARG 142 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3df3 h ARG 142 CO -0.00 0.34 0.00 1.28 -1.51 0.00 0.00 179.97 180.08 3df3 n LEU 143 N -4.65 0.00 0.00 3.80 7.99 -0.78 -4.91 117.00 118.45 3df3 n LEU 143 Ca -0.09 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 3df3 n LEU 143 Cb 0.27 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 3df3 n LEU 143 CO 0.12 -0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.50 3df3 n GLY 144 N -0.92 0.57 1.06 -0.72 0.00 -0.96 -5.06 105.19 99.16 3df3 n GLY 144 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3df3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 n ALA 145 N -1.00 -1.70 1.00 4.61 0.00 -1.26 -3.97 120.51 118.19 3df3 n ALA 145 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.86 3df3 n ALA 145 Cb 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.37 3df3 n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df3 n LYS 146 N -1.31 0.00 -3.57 0.00 5.02 0.10 -4.87 118.16 113.53 3df3 n LYS 146 Ca 0.00 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3df3 n LYS 146 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3df3 n LYS 146 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3df3 s GLY 147 N -3.00 -0.29 -0.22 0.72 0.00 -0.01 -1.99 107.32 102.54 3df3 s GLY 147 Ca 0.09 1.89 -0.15 0.00 0.00 0.00 0.00 44.72 46.56 3df3 s GLY 147 CO 0.80 0.94 0.55 -1.50 0.00 0.00 0.00 173.10 173.88 3df3 s ILE 148 N -1.38 -0.01 -0.28 0.90 2.07 0.06 0.60 121.20 123.17 3df3 s ILE 148 Ca -0.01 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3df3 s ILE 148 Cb -0.01 -0.78 0.08 0.00 0.13 0.00 0.00 42.46 41.88 3df3 s ILE 148 CO 0.00 0.01 0.05 -0.75 -1.91 0.00 0.00 174.94 172.34 3df3 s LYS 149 N 1.04 1.01 0.03 3.50 2.20 0.18 -1.07 119.74 126.64 3df3 s LYS 149 Ca -0.06 -1.06 -0.09 0.00 -0.36 0.00 0.00 55.97 54.40 3df3 s LYS 149 Cb -0.06 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 3df3 s LYS 149 CO -0.10 -0.84 0.34 0.08 -0.36 0.00 0.00 175.35 174.48 3df3 s VAL 150 N 1.51 5.18 -0.18 4.02 1.01 -0.86 -1.21 120.40 129.87 3df3 s VAL 150 Ca 0.05 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3df3 s VAL 150 Cb -0.18 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3df3 s VAL 150 CO -0.16 0.36 0.44 -0.70 0.00 0.00 0.00 175.10 175.04 3df3 s GLU 151 N -1.72 0.43 -0.16 2.72 2.12 -0.44 -3.87 118.70 117.79 3df3 s GLU 151 Ca 0.29 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.44 3df3 s GLU 151 Cb -0.14 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.29 3df3 s GLU 151 CO 0.16 -0.15 -0.21 0.08 -0.54 0.00 0.00 175.26 174.61 3df3 s VAL 152 N 1.29 2.08 0.00 3.70 1.01 -1.26 -1.18 120.40 126.04 3df3 s VAL 152 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3df3 s VAL 152 Cb -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3df3 s VAL 152 CO -0.12 0.54 0.00 -1.54 0.00 0.00 0.00 175.10 173.99 3df3 n SER 153 N 4.31 -0.91 -3.25 3.32 3.41 -0.81 0.12 113.62 119.81 3df3 n SER 153 Ca -0.20 -0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.15 3df3 n SER 153 Cb 0.51 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.62 3df3 n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df3 n GLY 154 N 0.82 -2.93 2.58 5.00 0.00 -1.15 -4.15 105.19 105.36 3df3 n GLY 154 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 3df3 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df3 n ARG 155 N -3.04 -1.16 -1.68 1.61 5.12 -1.26 -4.62 116.66 111.64 3df3 n ARG 155 Ca 0.07 0.34 -0.46 0.00 -1.93 0.00 0.00 57.85 55.87 3df3 n ARG 155 Cb 0.32 -4.24 -0.04 0.00 -1.16 0.00 0.00 32.46 27.35 3df3 n ARG 155 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3df3 n LEU 156 N -0.10 3.41 0.00 0.55 4.77 -1.26 0.71 117.00 125.08 3df3 n LEU 156 Ca -0.01 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 3df3 n LEU 156 Cb 0.30 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3df3 n LEU 156 CO 0.01 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3df3 n GLY 157 N 3.97 0.38 2.23 -0.72 0.00 -1.26 -2.85 105.19 106.95 3df3 n GLY 157 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3df3 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 158 N -1.51 0.06 3.75 -0.02 0.00 0.22 -4.98 105.19 102.72 3df3 n GLY 158 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3df3 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 s ALA 159 N -2.56 2.79 0.46 4.61 0.00 -1.13 -4.89 121.76 121.04 3df3 s ALA 159 Ca 0.00 1.19 0.17 0.00 0.00 0.00 0.00 51.96 53.32 3df3 s ALA 159 Cb 0.00 -3.51 1.13 0.00 0.00 0.00 0.00 23.12 20.74 3df3 s ALA 159 CO 0.00 -1.19 1.97 0.93 0.00 0.00 0.00 175.76 177.47 3df3 h GLU 160 N 1.47 0.30 -4.60 0.00 5.08 -1.93 -3.34 114.58 111.55 3df3 h GLU 160 Ca -0.50 -0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.14 3df3 h GLU 160 Cb 1.29 -0.07 -0.30 0.00 0.50 0.00 0.00 28.75 30.17 3df3 h GLU 160 CO 0.57 0.20 -0.57 0.42 -1.00 0.00 0.00 179.01 178.63 3df3 s ILE 161 N -5.30 3.71 0.47 3.13 1.09 -1.26 -5.08 121.20 117.96 3df3 s ILE 161 Ca -0.07 -1.38 -0.23 0.00 -1.10 0.00 0.00 60.65 57.87 3df3 s ILE 161 Cb 0.20 -3.22 -0.09 0.00 -1.06 0.00 0.00 42.46 38.30 3df3 s ILE 161 CO 0.75 -0.33 1.06 0.00 -0.10 0.00 0.00 174.94 176.32 3df3 n ALA 162 N 4.78 0.46 -3.52 9.38 0.00 -1.26 -4.70 120.51 125.65 3df3 n ALA 162 Ca -0.10 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3df3 n ALA 162 Cb 0.43 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 3df3 n ALA 162 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df3 s ARG 163 N -2.25 0.52 0.19 0.00 1.04 -1.26 -4.69 118.95 112.50 3df3 s ARG 163 Ca 0.66 0.78 -0.24 0.00 -1.04 0.00 0.00 55.73 55.88 3df3 s ARG 163 Cb -0.51 0.16 -0.08 0.00 -2.04 0.00 0.00 34.95 32.48 3df3 s ARG 163 CO 0.55 -0.11 0.79 -0.08 -0.04 0.00 0.00 175.30 176.40 3df3 s THR 164 N 0.82 4.38 0.00 4.99 -1.32 -1.26 -2.91 115.64 120.34 3df3 s THR 164 Ca -0.04 1.64 0.00 0.00 -1.21 0.00 0.00 61.69 62.08 3df3 s THR 164 Cb -0.05 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.86 3df3 s THR 164 CO -0.06 0.43 0.00 1.21 -2.21 0.00 0.00 174.62 173.98 3df3 n GLU 165 N 1.33 2.74 0.00 7.08 4.07 0.33 -4.92 120.64 131.26 3df3 n GLU 165 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3df3 n GLU 165 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 3df3 n GLU 165 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3df3 n TRP 166 N 0.00 0.00 -0.13 4.31 -0.00 -1.26 -4.45 117.44 115.90 3df3 n TRP 166 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3df3 n TRP 166 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3df3 n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3df3 n TYR 167 N 0.00 0.00 -3.64 5.87 9.36 -1.25 -4.15 117.16 123.34 3df3 n TYR 167 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 3df3 n TYR 167 Cb 0.00 -1.62 -0.07 0.00 -0.63 0.00 0.00 39.34 37.02 3df3 n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3df3 s ARG 168 N -3.74 0.33 0.29 2.98 3.00 -1.26 -2.04 118.95 118.51 3df3 s ARG 168 Ca 0.00 0.45 0.10 0.00 -1.00 0.00 0.00 55.73 55.27 3df3 s ARG 168 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 34.95 35.02 3df3 s ARG 168 CO 0.00 -0.05 -0.13 -1.21 0.00 0.00 0.00 175.30 173.91 3df3 s GLU 169 N 0.55 1.64 0.18 5.12 2.02 -0.23 -4.98 118.70 123.01 3df3 s GLU 169 Ca -0.00 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.19 3df3 s GLU 169 Cb -0.04 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.65 3df3 s GLU 169 CO -0.11 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.78 3df3 n GLY 170 N -0.63 -2.14 3.64 -1.39 0.00 -1.26 -0.76 105.19 102.65 3df3 n GLY 170 Ca -0.06 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3df3 n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df3 s ARG 171 N -2.38 4.10 -0.73 1.61 1.70 -0.84 -4.60 118.95 117.82 3df3 s ARG 171 Ca 0.00 1.00 0.04 0.00 -0.47 0.00 0.00 55.73 56.30 3df3 s ARG 171 Cb 0.00 -3.70 0.23 0.00 -0.57 0.00 0.00 34.95 30.91 3df3 s ARG 171 CO 0.00 -0.73 0.76 0.28 -1.08 0.00 0.00 175.30 174.53 3df3 n VAL 172 N 5.57 2.54 -2.00 4.99 0.31 -1.26 -4.09 118.33 124.40 3df3 n VAL 172 Ca 0.09 -5.20 -0.35 0.00 -0.01 0.00 0.00 64.34 58.87 3df3 n VAL 172 Cb 0.47 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 3df3 n VAL 172 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3df3 n PRO 173 N 1.31 2.03 0.14 5.55 -0.04 -1.26 -4.73 135.00 138.01 3df3 n PRO 173 Ca 0.26 -2.55 0.10 0.00 -0.04 0.00 0.00 63.50 61.27 3df3 n PRO 173 Cb 0.38 -3.50 0.52 0.00 -0.04 0.00 0.00 33.50 30.86 3df3 n PRO 173 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3df3 n LEU 174 N 11.26 0.51 -0.04 1.53 0.00 -1.26 -2.74 117.00 126.25 3df3 n LEU 174 Ca 0.47 0.73 -0.00 0.00 0.00 0.00 0.00 56.01 57.21 3df3 n LEU 174 Cb 0.45 -0.78 -0.00 0.00 0.00 0.00 0.00 43.42 43.09 3df3 n LEU 174 CO 0.78 -0.87 -0.01 0.45 0.00 0.00 0.00 177.39 177.74 3df3 h HIS 175 N 0.00 0.00 -0.70 1.96 3.86 -2.01 -3.45 115.15 114.80 3df3 h HIS 175 Ca 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.49 3df3 h HIS 175 Cb 0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3df3 h HIS 175 CO 0.00 0.00 1.30 2.41 0.86 0.00 0.00 177.93 182.50 3df3 n THR 176 N -4.18 0.12 -0.13 2.45 -1.04 -1.11 -4.82 114.28 105.57 3df3 n THR 176 Ca -0.00 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 3df3 n THR 176 Cb 0.01 -1.11 -0.00 0.00 -1.82 0.00 0.00 70.33 67.41 3df3 n THR 176 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3df3 h LEU 177 N 10.25 0.50 -5.19 -4.42 3.38 -1.87 -3.07 115.31 114.88 3df3 h LEU 177 Ca -0.23 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 57.00 3df3 h LEU 177 Cb 1.36 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 42.00 3df3 h LEU 177 CO 1.04 0.43 3.69 -1.14 0.09 0.00 0.00 178.44 182.55 3df3 n ARG 178 N -4.74 3.49 0.00 1.13 0.63 -1.26 -3.55 116.66 112.35 3df3 n ARG 178 Ca 0.00 -2.24 0.00 0.00 -0.92 0.00 0.00 57.85 54.70 3df3 n ARG 178 Cb 0.07 -2.87 0.00 0.00 0.45 0.00 0.00 32.46 30.11 3df3 n ARG 178 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df3 n ALA 179 N 4.05 0.78 -1.93 5.13 0.00 -0.74 -3.57 120.51 124.23 3df3 n ALA 179 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3df3 n ALA 179 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3df3 n ALA 179 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df3 n ASP 180 N -0.40 -7.45 -3.85 0.00 5.75 -1.23 -3.86 116.55 105.50 3df3 n ASP 180 Ca 0.00 1.33 -0.12 0.00 -0.01 0.00 0.00 54.79 56.00 3df3 n ASP 180 Cb 0.00 -4.46 -0.11 0.00 -1.03 0.00 0.00 41.12 35.51 3df3 n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3df3 s ILE 181 N -1.08 0.05 -0.63 2.12 1.09 -1.26 -3.58 121.20 117.91 3df3 s ILE 181 Ca 0.00 -0.38 -0.16 0.00 -1.10 0.00 0.00 60.65 59.02 3df3 s ILE 181 Cb 0.00 -0.32 0.15 0.00 -1.06 0.00 0.00 42.46 41.24 3df3 s ILE 181 CO 0.00 -0.21 0.59 -0.62 -0.10 0.00 0.00 174.94 174.61 3df3 s ASP 182 N -0.70 6.36 -0.09 3.58 3.68 0.15 -4.83 116.67 124.82 3df3 s ASP 182 Ca -0.08 -2.03 0.00 0.00 2.13 0.00 0.00 52.55 52.58 3df3 s ASP 182 Cb -0.05 -2.22 -0.03 0.00 -1.45 0.00 0.00 42.92 39.18 3df3 s ASP 182 CO 0.01 -0.80 -0.07 -0.47 0.13 0.00 0.00 175.17 173.97 3df3 s TYR 183 N 1.27 2.93 0.21 -5.34 5.04 -1.25 -1.68 117.35 118.54 3df3 s TYR 183 Ca 0.08 -0.11 -0.23 0.00 -2.44 0.00 0.00 57.07 54.37 3df3 s TYR 183 Cb -0.24 -1.76 0.04 0.00 0.35 0.00 0.00 41.96 40.35 3df3 s TYR 183 CO -0.00 0.20 0.85 -0.80 -1.34 0.00 0.00 175.55 174.46 3df3 s ASN 184 N -0.48 -0.21 0.37 4.32 0.02 -1.14 -4.79 114.94 113.03 3df3 s ASN 184 Ca 0.07 -0.51 0.04 0.00 -1.02 0.00 0.00 52.86 51.44 3df3 s ASN 184 Cb -0.12 0.60 -0.03 0.00 0.02 0.00 0.00 41.25 41.72 3df3 s ASN 184 CO 0.02 -1.12 0.13 0.42 0.02 0.00 0.00 177.10 176.58 3df3 s THR 185 N -3.55 0.59 -0.30 1.60 -4.23 -1.26 -1.93 115.64 106.57 3df3 s THR 185 Ca 0.12 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.50 3df3 s THR 185 Cb -0.04 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.50 3df3 s THR 185 CO 0.05 0.00 0.82 -0.94 -0.54 0.00 0.00 174.62 174.00 3df3 s SER 186 N -3.53 -0.84 -0.35 3.99 1.04 -1.18 -4.44 113.70 108.39 3df3 s SER 186 Ca 0.29 1.19 -0.22 0.00 0.48 0.00 0.00 55.95 57.69 3df3 s SER 186 Cb 0.04 1.85 0.00 0.00 0.10 0.00 0.00 66.02 68.02 3df3 s SER 186 CO 0.16 -0.17 0.72 -1.61 0.98 0.00 0.00 173.24 173.32 3df3 s GLU 187 N 2.44 3.76 -0.93 4.02 2.02 -1.26 -2.58 118.70 126.17 3df3 s GLU 187 Ca -0.05 0.25 -0.14 0.00 0.02 0.00 0.00 54.97 55.05 3df3 s GLU 187 Cb -0.08 -3.79 0.21 0.00 0.10 0.00 0.00 34.13 30.56 3df3 s GLU 187 CO -0.18 -0.77 0.96 0.00 0.02 0.00 0.00 175.26 175.29 3df3 s ALA 188 N 2.90 4.04 -1.15 5.21 0.00 -0.11 -4.88 121.76 127.77 3df3 s ALA 188 Ca 0.28 -3.30 -0.24 0.00 0.00 0.00 0.00 51.96 48.70 3df3 s ALA 188 Cb -0.14 -3.69 -0.15 0.00 0.00 0.00 0.00 23.12 19.15 3df3 s ALA 188 CO 0.15 -2.46 2.00 0.72 0.00 0.00 0.00 175.76 176.18 3df3 n HIS 189 N 4.43 2.05 -1.51 0.00 -0.00 -1.26 -0.87 115.22 118.06 3df3 n HIS 189 Ca 0.20 -0.97 -0.29 0.00 -0.00 0.00 0.00 57.72 56.65 3df3 n HIS 189 Cb 0.46 -2.63 0.11 0.00 -0.00 0.00 0.00 29.99 27.93 3df3 n HIS 189 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3df3 s THR 190 N 13.52 2.66 0.22 1.59 2.01 0.05 -4.89 115.64 130.79 3df3 s THR 190 Ca 0.73 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.86 3df3 s THR 190 Cb -0.02 -2.93 0.17 0.00 0.01 0.00 0.00 72.50 69.72 3df3 s THR 190 CO 0.16 -0.28 1.87 0.71 -0.69 0.00 0.00 174.62 176.39 3df3 h THR 191 N -1.28 1.15 -0.36 -0.82 1.35 -1.97 -1.99 112.91 109.00 3df3 h THR 191 Ca -0.49 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3df3 h THR 191 Cb 1.29 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3df3 h THR 191 CO 0.60 0.18 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 3df3 n TYR 192 N -4.58 0.71 0.00 4.73 0.18 -1.26 -4.99 117.16 111.94 3df3 n TYR 192 Ca 0.08 -0.30 0.00 0.00 1.88 0.00 0.00 57.90 59.56 3df3 n TYR 192 Cb 0.05 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 38.91 3df3 n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3df3 n GLY 193 N 0.85 3.57 3.80 -7.48 0.00 -0.75 -5.04 105.19 100.14 3df3 n GLY 193 Ca 0.13 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 3df3 n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df3 s VAL 194 N -2.13 3.80 -0.27 1.61 1.01 -1.26 -0.77 120.40 122.39 3df3 s VAL 194 Ca 0.00 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 3df3 s VAL 194 Cb 0.00 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 33.03 3df3 s VAL 194 CO 0.00 -0.29 0.09 -0.63 0.00 0.00 0.00 175.10 174.28 3df3 s ILE 195 N -2.06 0.40 0.86 2.22 1.01 -0.05 -4.79 121.20 118.79 3df3 s ILE 195 Ca 0.67 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 3df3 s ILE 195 Cb -0.16 -1.22 0.11 0.00 0.01 0.00 0.00 42.46 41.20 3df3 s ILE 195 CO 0.23 -0.57 1.09 -0.83 0.00 0.00 0.00 174.94 174.86 3df3 s GLY 196 N 1.87 1.63 -0.02 6.18 0.00 -1.26 -0.93 107.32 114.79 3df3 s GLY 196 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.64 3df3 s GLY 196 CO -0.24 0.45 0.29 0.14 0.00 0.00 0.00 173.10 173.73 3df3 s VAL 197 N -2.95 0.06 -0.07 1.40 1.01 -1.06 -1.93 120.40 116.86 3df3 s VAL 197 Ca 0.63 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3df3 s VAL 197 Cb -0.17 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.65 3df3 s VAL 197 CO 0.56 -0.26 0.16 -0.54 0.00 0.00 0.00 175.10 175.03 3df3 s LYS 198 N -1.24 0.13 0.00 2.72 1.02 -0.32 -3.08 119.74 118.97 3df3 s LYS 198 Ca -0.13 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.27 3df3 s LYS 198 Cb -0.05 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.13 3df3 s LYS 198 CO 0.04 -0.13 -0.19 0.14 -0.92 0.00 0.00 175.35 174.29 3df3 s VAL 199 N 0.90 1.50 -0.25 3.17 -7.23 -0.81 -1.33 120.40 116.36 3df3 s VAL 199 Ca -0.07 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3df3 s VAL 199 Cb -0.09 -1.27 0.07 0.00 0.56 0.00 0.00 36.38 35.66 3df3 s VAL 199 CO -0.05 0.34 0.02 0.26 -0.31 0.00 0.00 175.10 175.36 3df3 s TRP 200 N -0.55 1.86 -0.38 2.82 0.51 -0.35 -2.90 118.94 119.95 3df3 s TRP 200 Ca 0.07 -1.55 -0.06 0.00 -2.12 0.00 0.00 56.10 52.45 3df3 s TRP 200 Cb -0.08 -1.53 0.08 0.00 -0.81 0.00 0.00 33.47 31.14 3df3 s TRP 200 CO 0.00 -0.76 0.18 0.42 -0.51 0.00 0.00 176.95 176.28 3df3 s ILE 201 N 1.57 3.68 -0.42 2.03 1.01 -0.68 0.50 121.20 128.90 3df3 s ILE 201 Ca 0.01 -1.56 -0.21 0.00 0.00 0.00 0.00 60.65 58.90 3df3 s ILE 201 Cb -0.18 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.03 3df3 s ILE 201 CO -0.12 -0.45 0.63 0.12 0.00 0.00 0.00 174.94 175.12 3df3 s PHE 202 N 1.31 3.09 -0.14 3.97 5.36 0.20 0.33 117.98 132.10 3df3 s PHE 202 Ca 0.02 0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 55.91 3df3 s PHE 202 Cb -0.22 -3.29 -0.10 0.00 -0.34 0.00 0.00 43.02 39.08 3df3 s PHE 202 CO -0.00 -0.81 0.17 0.87 -1.46 0.00 0.00 175.22 173.99 3df3 h LYS 203 N 8.78 0.00 -2.07 10.12 1.57 -1.78 0.35 116.57 133.54 3df3 h LYS 203 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3df3 h LYS 203 Cb 1.10 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.22 3df3 h LYS 203 CO 0.88 0.39 0.29 0.20 -0.57 0.00 0.00 179.45 180.63 3df3 s GLY 204 N -4.07 -0.51 0.00 3.86 0.00 -1.25 -3.35 107.32 101.99 3df3 s GLY 204 Ca -0.12 1.33 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3df3 s GLY 204 CO 0.30 0.82 0.00 1.18 0.00 0.00 0.00 173.10 175.40 3df3 n GLU 205 N 0.60 0.00 0.00 2.90 -0.58 -1.26 -4.13 120.64 118.18 3df3 n GLU 205 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3df3 n GLU 205 Cb 0.59 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 3df3 n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16