#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df3 n GLU 2 N 0.00 -0.49 -3.91 3.49 2.13 -1.23 -4.99 120.64 115.64 1df3 n GLU 2 Ca 0.00 0.87 -0.28 0.00 0.66 0.00 0.00 57.16 58.41 1df3 n GLU 2 Cb 0.00 -2.94 -0.03 0.00 0.27 0.00 0.00 31.44 28.74 1df3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1df3 s ALA 3 N -2.81 3.97 0.00 4.31 0.00 -0.64 -4.91 121.76 121.69 1df3 s ALA 3 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1df3 s ALA 3 Cb -0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 1df3 s ALA 3 CO 0.25 0.63 0.50 -1.12 0.00 0.00 0.00 175.76 176.03 1df3 s SER 4 N -2.97 6.90 0.15 0.00 0.01 -1.26 -1.97 113.70 114.57 1df3 s SER 4 Ca 0.35 1.07 -0.14 0.00 1.31 0.00 0.00 55.95 58.54 1df3 s SER 4 Cb -0.12 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.83 1df3 s SER 4 CO 0.28 0.22 1.73 -1.28 0.41 0.00 0.00 173.24 174.60 1df3 h SER 5 N 5.13 0.64 -1.04 2.44 0.87 -1.67 -2.70 113.55 117.22 1df3 h SER 5 Ca -0.48 -0.14 -0.68 0.00 -1.23 0.00 0.00 61.79 59.25 1df3 h SER 5 Cb 1.21 -0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 62.88 1df3 h SER 5 CO 0.66 0.60 2.12 0.35 -0.53 0.00 0.00 176.83 180.03 1df3 n THR 6 N -4.61 4.82 -3.37 2.23 -2.24 -1.26 -3.80 114.28 106.05 1df3 n THR 6 Ca 0.02 -3.93 -0.27 0.00 -2.27 0.00 0.00 64.05 57.60 1df3 n THR 6 Cb 0.13 -2.03 -0.10 0.00 -2.10 0.00 0.00 70.33 66.23 1df3 n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1df3 n GLY 7 N 1.72 2.22 3.85 3.38 0.00 -1.02 -4.94 105.19 110.40 1df3 n GLY 7 Ca 0.61 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1df3 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df3 n ARG 8 N 2.66 -5.39 -2.47 1.61 1.74 -1.26 -4.32 116.66 109.23 1df3 n ARG 8 Ca 0.29 0.61 -0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1df3 n ARG 8 Cb 0.49 -5.40 -0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1df3 n ARG 8 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1df3 n ASN 9 N -2.90 -6.65 -4.77 0.55 3.02 -1.26 -5.02 115.26 98.22 1df3 n ASN 9 Ca -0.06 1.15 -0.31 0.00 -0.03 0.00 0.00 54.58 55.34 1df3 n ASN 9 Cb 0.57 -4.48 0.09 0.00 -0.61 0.00 0.00 39.78 35.35 1df3 n ASN 9 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1df3 s PHE 10 N -1.28 2.65 -0.66 3.10 -0.71 -1.26 -4.97 117.98 114.85 1df3 s PHE 10 Ca -0.01 1.48 -0.27 0.00 -1.04 0.00 0.00 56.93 57.09 1df3 s PHE 10 Cb 0.00 -3.03 0.02 0.00 -1.21 0.00 0.00 43.02 38.80 1df3 s PHE 10 CO 0.63 -1.77 1.34 1.21 -1.34 0.00 0.00 175.22 175.29 1df3 s ASN 11 N -3.49 6.14 0.06 1.98 2.47 -1.26 -4.93 114.94 115.92 1df3 s ASN 11 Ca 0.61 -0.11 -0.20 0.00 0.42 0.00 0.00 52.86 53.58 1df3 s ASN 11 Cb -0.17 -2.55 -0.11 0.00 -1.45 0.00 0.00 41.25 36.97 1df3 s ASN 11 CO 0.56 -1.78 1.47 -0.37 -3.72 0.00 0.00 177.10 173.26 1df3 h VAL 12 N 6.20 1.27 0.00 -5.21 -1.51 -2.01 -3.28 116.25 111.72 1df3 h VAL 12 Ca -0.27 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 1df3 h VAL 12 Cb 1.07 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1df3 h VAL 12 CO 1.23 0.28 0.00 1.05 -1.23 0.00 0.00 177.57 178.91 1df3 h GLU 13 N 0.07 0.00 0.00 5.19 4.11 -1.97 -1.84 114.58 120.14 1df3 h GLU 13 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.42 1df3 h GLU 13 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1df3 h GLU 13 CO 0.01 0.00 -0.30 0.87 0.07 0.00 0.00 179.01 179.66 1df3 h LYS 14 N 0.00 0.00 -0.99 1.06 1.57 -1.95 -3.23 116.57 113.03 1df3 h LYS 14 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1df3 h LYS 14 Cb 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1df3 h LYS 14 CO 0.00 0.30 0.16 0.44 -0.57 0.00 0.00 179.45 179.78 1df3 n ILE 15 N -3.65 1.50 -3.62 1.86 -5.35 -0.69 -4.73 119.36 104.69 1df3 n ILE 15 Ca -0.01 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.57 1df3 n ILE 15 Cb 0.42 -0.81 -0.11 0.00 -1.74 0.00 0.00 39.64 37.40 1df3 n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1df3 s ASN 16 N 0.31 5.66 0.00 7.28 2.47 -1.22 -4.68 114.94 124.75 1df3 s ASN 16 Ca 0.15 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.65 1df3 s ASN 16 Cb 0.13 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1df3 s ASN 16 CO 0.03 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 1df3 n GLY 17 N 4.99 0.18 3.63 1.21 0.00 -0.93 -5.04 105.19 109.24 1df3 n GLY 17 Ca -0.13 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1df3 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 18 N -2.00 4.00 0.02 1.61 2.56 -1.26 -2.21 118.70 121.42 1df3 s GLU 18 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 54.97 56.02 1df3 s GLU 18 Cb 0.00 -3.78 -0.01 0.00 2.00 0.00 0.00 34.13 32.34 1df3 s GLU 18 CO 0.00 -1.00 -0.11 -1.58 -0.56 0.00 0.00 175.26 172.01 1df3 s TRP 19 N 3.85 0.97 0.09 5.30 0.52 -1.22 -4.39 118.94 124.07 1df3 s TRP 19 Ca 0.47 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 56.39 1df3 s TRP 19 Cb -0.12 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1df3 s TRP 19 CO 0.19 -0.00 -0.20 -1.01 0.02 0.00 0.00 176.95 175.94 1df3 s HIS 20 N -0.61 1.75 -0.48 -1.98 3.76 -0.26 -3.55 115.29 113.92 1df3 s HIS 20 Ca 0.01 -0.41 -0.27 0.00 -0.15 0.00 0.00 55.06 54.24 1df3 s HIS 20 Cb -0.06 -0.97 0.03 0.00 1.11 0.00 0.00 32.58 32.68 1df3 s HIS 20 CO 0.00 0.17 1.05 0.99 -0.85 0.00 0.00 174.74 176.11 1df3 s THR 21 N -1.09 4.31 -0.17 1.30 2.01 -1.26 -2.10 115.64 118.64 1df3 s THR 21 Ca 0.06 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.93 1df3 s THR 21 Cb -0.10 -4.54 -0.08 0.00 0.01 0.00 0.00 72.50 67.79 1df3 s THR 21 CO 0.04 -0.96 -0.10 -0.38 -0.69 0.00 0.00 174.62 172.53 1df3 n ILE 22 N 6.67 1.46 -3.67 1.82 2.08 -0.36 -3.34 119.36 124.02 1df3 n ILE 22 Ca 0.09 0.12 -0.23 0.00 0.56 0.00 0.00 62.75 63.29 1df3 n ILE 22 Cb 0.49 -2.28 -0.17 0.00 -0.75 0.00 0.00 39.64 36.93 1df3 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1df3 s ILE 23 N -2.34 0.03 -0.24 1.39 1.01 -1.02 -1.52 121.20 118.50 1df3 s ILE 23 Ca -0.21 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1df3 s ILE 23 Cb 0.04 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 1df3 s ILE 23 CO 0.34 -0.03 0.07 -0.22 0.00 0.00 0.00 174.94 175.10 1df3 s LEU 24 N 2.10 3.47 -0.12 2.97 2.96 -1.17 -1.17 118.68 127.72 1df3 s LEU 24 Ca 0.03 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1df3 s LEU 24 Cb -0.14 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.66 1df3 s LEU 24 CO -0.06 -0.01 -0.02 0.00 -1.32 0.00 0.00 176.35 174.93 1df3 s ALA 25 N 1.48 1.06 -0.11 5.97 0.00 -0.75 -3.82 121.76 125.60 1df3 s ALA 25 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1df3 s ALA 25 Cb -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1df3 s ALA 25 CO 0.04 -0.62 -0.15 0.45 0.00 0.00 0.00 175.76 175.48 1df3 s SER 26 N 1.82 3.91 0.20 0.00 0.15 -1.26 -2.03 113.70 116.48 1df3 s SER 26 Ca 0.03 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1df3 s SER 26 Cb -0.14 -1.42 0.13 0.00 -1.71 0.00 0.00 66.02 62.89 1df3 s SER 26 CO -0.07 0.20 1.82 -0.78 1.20 0.00 0.00 173.24 175.62 1df3 h ASP 27 N 6.41 0.86 0.67 5.45 3.58 -1.84 -2.58 116.42 128.97 1df3 h ASP 27 Ca -0.29 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1df3 h ASP 27 Cb 1.20 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1df3 h ASP 27 CO 0.54 0.69 0.00 0.11 -2.88 0.00 0.00 179.24 177.70 1df3 h LYS 28 N 0.96 0.00 0.00 0.28 1.79 -1.97 -3.48 116.57 114.15 1df3 h LYS 28 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1df3 h LYS 28 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1df3 h LYS 28 CO -0.04 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.87 1df3 n ARG 29 N -2.54 0.00 -0.32 3.15 3.00 -0.98 -4.71 116.66 114.26 1df3 n ARG 29 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.85 58.05 1df3 n ARG 29 Cb 0.22 0.00 0.39 0.00 0.00 0.00 0.00 32.46 33.07 1df3 n ARG 29 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1df3 h GLU 30 N 0.00 0.10 -0.90 5.56 4.39 -1.93 -2.88 114.58 118.92 1df3 h GLU 30 Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1df3 h GLU 30 Cb 0.00 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1df3 h GLU 30 CO 0.00 0.07 0.59 0.87 -1.16 0.00 0.00 179.01 179.38 1df3 h LYS 31 N 0.10 1.15 0.00 2.33 1.79 -1.85 -2.74 116.57 117.35 1df3 h LYS 31 Ca 0.67 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.89 1df3 h LYS 31 Cb 1.53 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 1df3 h LYS 31 CO -0.77 0.76 -1.07 -0.84 -1.08 0.00 0.00 179.45 176.45 1df3 h ILE 32 N 1.18 0.97 -3.89 1.86 3.07 -1.67 -2.11 117.51 116.92 1df3 h ILE 32 Ca 0.35 -2.53 -0.45 0.00 1.55 0.00 0.00 64.86 63.78 1df3 h ILE 32 Cb -0.07 2.42 0.16 0.00 -0.27 0.00 0.00 36.82 39.06 1df3 h ILE 32 CO -0.10 0.55 0.20 -1.61 -1.05 0.00 0.00 178.15 176.14 1df3 s GLU 33 N -2.83 0.35 0.12 0.16 2.02 -1.03 -4.80 118.70 112.69 1df3 s GLU 33 Ca -0.00 0.43 -0.35 0.00 0.02 0.00 0.00 54.97 55.07 1df3 s GLU 33 Cb 0.09 -1.74 -0.17 0.00 0.10 0.00 0.00 34.13 32.41 1df3 s GLU 33 CO 0.80 -2.76 1.21 -3.47 0.02 0.00 0.00 175.26 171.05 1df3 n ASP 34 N -4.18 1.22 -3.12 -0.19 -0.08 -1.26 -2.23 116.55 106.70 1df3 n ASP 34 Ca 0.05 1.13 -0.14 0.00 -1.51 0.00 0.00 54.79 54.33 1df3 n ASP 34 Cb 0.58 -1.16 0.07 0.00 2.34 0.00 0.00 41.12 42.95 1df3 n ASP 34 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1df3 n ASN 35 N 2.17 -4.64 -4.05 1.67 5.15 -1.26 -5.01 115.26 109.29 1df3 n ASN 35 Ca 0.17 -0.61 -0.23 0.00 -0.60 0.00 0.00 54.58 53.31 1df3 n ASN 35 Cb 0.20 -4.72 -0.16 0.00 -0.53 0.00 0.00 39.78 34.57 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1df3 s GLY 36 N -3.68 0.70 0.31 8.20 0.00 -0.95 -4.76 107.32 107.15 1df3 s GLY 36 Ca 0.26 -0.47 0.26 0.00 0.00 0.00 0.00 44.72 44.77 1df3 s GLY 36 CO 0.66 -0.16 1.77 3.45 0.00 0.00 0.00 173.10 178.82 1df3 h ASN 37 N 6.39 0.00 -2.18 1.64 -1.07 -1.82 -3.36 115.58 115.18 1df3 h ASN 37 Ca -0.33 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.45 1df3 h ASN 37 Cb 1.17 0.00 -0.42 0.00 -2.07 0.00 0.00 38.32 37.01 1df3 h ASN 37 CO 0.48 0.00 -0.70 0.49 0.07 0.00 0.00 177.43 177.77 1df3 n PHE 38 N -2.48 3.08 -3.50 4.14 3.01 -0.79 -4.98 117.46 115.93 1df3 n PHE 38 Ca 0.03 -4.03 -0.41 0.00 1.01 0.00 0.00 57.45 54.05 1df3 n PHE 38 Cb 0.33 -0.51 -0.04 0.00 -0.01 0.00 0.00 39.48 39.25 1df3 n PHE 38 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1df3 s ARG 39 N -2.57 3.52 -0.21 -1.08 0.52 -1.23 -4.03 118.95 113.87 1df3 s ARG 39 Ca 0.42 -3.01 0.01 0.00 -0.52 0.00 0.00 55.73 52.63 1df3 s ARG 39 Cb 0.20 -4.19 0.04 0.00 0.52 0.00 0.00 34.95 31.52 1df3 s ARG 39 CO -0.06 -1.25 -0.12 -0.51 0.02 0.00 0.00 175.30 173.38 1df3 s LEU 40 N -0.87 2.56 -0.35 2.53 1.43 -1.26 -4.59 118.68 118.13 1df3 s LEU 40 Ca 0.25 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 1df3 s LEU 40 Cb -0.10 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1df3 s LEU 40 CO -0.09 -0.13 0.43 -0.36 0.23 0.00 0.00 176.35 176.42 1df3 s PHE 41 N 1.30 3.20 0.04 0.29 0.40 -0.64 -4.79 117.98 117.78 1df3 s PHE 41 Ca -0.02 0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 1df3 s PHE 41 Cb -0.17 -2.78 -0.05 0.00 0.51 0.00 0.00 43.02 40.53 1df3 s PHE 41 CO -0.08 -0.48 1.24 -1.17 0.70 0.00 0.00 175.22 175.42 1df3 s LEU 42 N 2.18 4.35 -0.19 -0.37 2.96 -1.26 -0.94 118.68 125.41 1df3 s LEU 42 Ca 0.15 2.01 -0.15 0.00 -0.22 0.00 0.00 54.13 55.92 1df3 s LEU 42 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1df3 s LEU 42 CO 0.12 -0.53 -0.22 1.21 -1.32 0.00 0.00 176.35 175.61 1df3 n GLU 43 N 4.32 0.52 -3.77 1.98 0.00 -0.17 -4.08 120.64 119.43 1df3 n GLU 43 Ca 0.10 0.38 -0.12 0.00 0.00 0.00 0.00 57.16 57.52 1df3 n GLU 43 Cb 0.46 -1.57 -0.08 0.00 0.00 0.00 0.00 31.44 30.24 1df3 n GLU 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1df3 s GLN 44 N -2.55 0.73 -0.40 5.31 -2.07 -1.03 -3.38 119.66 116.28 1df3 s GLN 44 Ca -0.26 -0.42 -0.11 0.00 -1.82 0.00 0.00 55.36 52.75 1df3 s GLN 44 Cb 0.05 0.32 0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1df3 s GLN 44 CO 0.39 -0.22 0.25 0.42 -1.32 0.00 0.00 175.29 174.81 1df3 s ILE 45 N -2.12 4.53 -0.20 3.63 1.01 -0.94 -1.15 121.20 125.97 1df3 s ILE 45 Ca -0.08 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.34 1df3 s ILE 45 Cb -0.03 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1df3 s ILE 45 CO -0.01 -0.38 0.34 -2.28 0.00 0.00 0.00 174.94 172.61 1df3 s HIS 46 N 1.52 3.38 -0.49 3.97 2.46 -0.52 -2.19 115.29 123.42 1df3 s HIS 46 Ca 0.02 0.55 -0.18 0.00 0.47 0.00 0.00 55.06 55.92 1df3 s HIS 46 Cb -0.21 -2.45 0.06 0.00 -0.13 0.00 0.00 32.58 29.84 1df3 s HIS 46 CO 0.05 0.04 0.55 0.08 -2.47 0.00 0.00 174.74 173.00 1df3 s VAL 47 N 1.13 4.98 0.20 0.89 1.01 -1.26 -1.37 120.40 125.98 1df3 s VAL 47 Ca 0.17 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1df3 s VAL 47 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1df3 s VAL 47 CO 0.07 -0.71 0.33 -0.76 0.00 0.00 0.00 175.10 174.04 1df3 s LEU 48 N 2.37 4.31 -0.28 3.92 1.43 -0.74 -5.04 118.68 124.65 1df3 s LEU 48 Ca 0.13 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1df3 s LEU 48 Cb -0.20 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 1df3 s LEU 48 CO 0.11 -0.02 1.82 -0.70 0.23 0.00 0.00 176.35 177.79 1df3 s GLU 49 N -3.63 3.43 -1.44 1.70 -6.30 -1.26 -2.40 118.70 108.80 1df3 s GLU 49 Ca 0.35 1.59 0.00 0.00 -2.50 0.00 0.00 54.97 54.41 1df3 s GLU 49 Cb -0.10 -4.19 0.00 0.00 0.00 0.00 0.00 34.13 29.84 1df3 s GLU 49 CO 0.29 -1.74 0.00 1.63 0.02 0.00 0.00 175.26 175.46 1df3 n LYS 50 N 8.29 -0.97 -3.69 4.30 5.02 -1.26 -5.04 118.16 124.81 1df3 n LYS 50 Ca 0.23 0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 57.36 1df3 n LYS 50 Cb 0.46 -5.06 -0.09 0.00 -0.02 0.00 0.00 35.03 30.32 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1df3 s SER 51 N -2.81 -0.61 -0.41 4.39 0.15 -1.01 -2.56 113.70 110.85 1df3 s SER 51 Ca 0.00 1.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 1df3 s SER 51 Cb 0.00 0.99 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1df3 s SER 51 CO 0.00 -0.20 0.27 -0.22 1.20 0.00 0.00 173.24 174.29 1df3 s LEU 52 N 1.04 5.02 -0.75 3.45 2.96 -0.47 -1.79 118.68 128.15 1df3 s LEU 52 Ca -0.06 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.58 1df3 s LEU 52 Cb -0.06 -2.08 0.14 0.00 0.50 0.00 0.00 46.19 44.69 1df3 s LEU 52 CO -0.09 -0.46 0.86 -0.69 -1.32 0.00 0.00 176.35 174.64 1df3 s VAL 53 N 1.59 4.94 -0.61 1.68 1.01 -0.47 -1.75 120.40 126.79 1df3 s VAL 53 Ca 0.03 -1.47 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 1df3 s VAL 53 Cb -0.20 -4.58 0.05 0.00 0.00 0.00 0.00 36.38 31.64 1df3 s VAL 53 CO 0.07 -1.24 1.01 -0.76 0.00 0.00 0.00 175.10 174.18 1df3 s LEU 54 N 2.19 4.02 -0.79 3.92 1.02 -0.76 -1.44 118.68 126.83 1df3 s LEU 54 Ca 0.20 -0.52 -0.26 0.00 0.02 0.00 0.00 54.13 53.56 1df3 s LEU 54 Cb -0.15 -2.70 0.03 0.00 0.02 0.00 0.00 46.19 43.40 1df3 s LEU 54 CO -0.02 -1.39 1.31 -0.54 0.02 0.00 0.00 176.35 175.74 1df3 s LYS 55 N 4.28 3.27 0.00 1.70 -0.14 -0.30 -2.08 119.74 126.47 1df3 s LYS 55 Ca 0.29 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 1df3 s LYS 55 Cb -0.13 -4.41 0.00 0.00 -1.68 0.00 0.00 37.83 31.61 1df3 s LYS 55 CO 0.16 -2.16 0.00 1.19 -0.76 0.00 0.00 175.35 173.78 1df3 n PHE 56 N 9.28 -3.40 -3.67 3.18 3.72 -0.44 -1.00 117.46 125.13 1df3 n PHE 56 Ca 0.09 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.40 1df3 n PHE 56 Cb 0.49 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.94 1df3 n PHE 56 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1df3 s HIS 57 N 0.14 -0.82 0.04 1.38 5.65 -0.11 -1.74 115.29 119.82 1df3 s HIS 57 Ca 0.00 1.66 0.05 0.00 0.25 0.00 0.00 55.06 57.02 1df3 s HIS 57 Cb 0.00 0.43 -0.04 0.00 -1.18 0.00 0.00 32.58 31.79 1df3 s HIS 57 CO 0.00 -0.44 -0.09 -0.08 -0.65 0.00 0.00 174.74 173.48 1df3 s THR 58 N 1.71 3.43 -0.34 0.89 -1.32 -0.34 -1.62 115.64 118.05 1df3 s THR 58 Ca -0.09 -0.98 -0.19 0.00 -1.21 0.00 0.00 61.69 59.22 1df3 s THR 58 Cb -0.08 -2.52 -0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1df3 s THR 58 CO -0.16 0.31 0.58 -0.69 -2.21 0.00 0.00 174.62 172.45 1df3 s VAL 59 N -1.05 4.96 -0.99 5.08 1.01 -1.26 -2.40 120.40 125.75 1df3 s VAL 59 Ca 0.18 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1df3 s VAL 59 Cb -0.11 -4.00 0.28 0.00 0.00 0.00 0.00 36.38 32.55 1df3 s VAL 59 CO 0.09 -0.22 1.19 -1.14 0.00 0.00 0.00 175.10 175.02 1df3 n ARG 60 N 5.87 3.71 -3.41 2.72 0.63 -0.42 -4.72 116.66 121.03 1df3 n ARG 60 Ca -0.03 -4.54 -0.15 0.00 -0.92 0.00 0.00 57.85 52.21 1df3 n ARG 60 Cb 0.49 -2.47 0.01 0.00 0.45 0.00 0.00 32.46 30.95 1df3 n ARG 60 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1df3 n ASP 61 N 1.68 -6.37 0.00 6.15 9.92 -1.26 -3.19 116.55 123.47 1df3 n ASP 61 Ca 0.25 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1df3 n ASP 61 Cb 0.36 -3.86 0.00 0.00 -0.64 0.00 0.00 41.12 36.99 1df3 n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1df3 n GLU 62 N -2.61 0.00 -2.95 -1.24 1.02 -1.26 -5.01 120.64 108.59 1df3 n GLU 62 Ca -0.12 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 1df3 n GLU 62 Cb 0.58 -1.84 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1df3 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1df3 s GLU 63 N 0.00 4.35 -0.40 3.49 2.12 -1.19 -5.04 118.70 122.02 1df3 s GLU 63 Ca 0.00 0.96 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 1df3 s GLU 63 Cb 0.00 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.89 1df3 s GLU 63 CO 0.00 -0.18 1.09 0.00 -0.54 0.00 0.00 175.26 175.63 1df3 s SER 65 N 2.08 0.36 0.09 0.00 0.01 -1.01 -5.03 113.70 110.21 1df3 s SER 65 Ca 0.46 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.51 1df3 s SER 65 Cb -0.10 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.00 1df3 s SER 65 CO 0.24 0.02 0.52 -1.61 0.41 0.00 0.00 173.24 172.82 1df3 s GLU 66 N 0.08 4.04 -0.20 12.44 2.02 -1.26 -1.20 118.70 134.61 1df3 s GLU 66 Ca -0.00 0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1df3 s GLU 66 Cb -0.03 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 31.14 1df3 s GLU 66 CO -0.00 0.58 -0.14 -1.17 0.02 0.00 0.00 175.26 174.55 1df3 s LEU 67 N -1.49 2.47 0.07 1.80 0.20 -0.71 -4.91 118.68 116.11 1df3 s LEU 67 Ca 0.32 -0.90 -0.26 0.00 0.69 0.00 0.00 54.13 53.97 1df3 s LEU 67 Cb -0.17 -1.39 -0.06 0.00 -0.43 0.00 0.00 46.19 44.15 1df3 s LEU 67 CO 0.18 -0.10 0.82 -0.94 -0.29 0.00 0.00 176.35 176.02 1df3 s SER 68 N 1.30 7.31 -0.44 3.68 1.04 -1.26 -1.32 113.70 124.00 1df3 s SER 68 Ca -0.01 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.01 1df3 s SER 68 Cb -0.16 -2.50 0.13 0.00 0.10 0.00 0.00 66.02 63.58 1df3 s SER 68 CO -0.09 0.01 0.21 -0.04 0.98 0.00 0.00 173.24 174.30 1df3 s MET 69 N -0.13 1.51 -0.65 4.02 -1.94 -0.88 -4.99 119.30 116.24 1df3 s MET 69 Ca 0.41 -2.13 -0.24 0.00 -1.71 0.00 0.00 55.69 52.02 1df3 s MET 69 Cb -0.21 -2.78 0.06 0.00 2.01 0.00 0.00 34.83 33.90 1df3 s MET 69 CO 0.25 -1.09 1.01 0.08 -0.01 0.00 0.00 175.02 175.26 1df3 s VAL 70 N 0.31 4.24 -0.63 -6.03 1.01 -1.26 -1.83 120.40 116.21 1df3 s VAL 70 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1df3 s VAL 70 Cb -0.24 -4.69 0.16 0.00 0.00 0.00 0.00 36.38 31.62 1df3 s VAL 70 CO -0.03 -1.44 0.50 0.00 0.00 0.00 0.00 175.10 174.13 1df3 s ALA 71 N 4.33 3.66 0.32 5.51 0.00 -0.72 -4.57 121.76 130.30 1df3 s ALA 71 Ca 0.26 -3.03 -0.27 0.00 0.00 0.00 0.00 51.96 48.93 1df3 s ALA 71 Cb -0.14 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1df3 s ALA 71 CO 0.13 -2.09 1.03 -0.51 0.00 0.00 0.00 175.76 174.33 1df3 s ASP 72 N 1.81 7.16 0.24 0.00 1.01 -0.99 -1.37 116.67 124.52 1df3 s ASP 72 Ca 0.13 2.06 -0.30 0.00 0.71 0.00 0.00 52.55 55.15 1df3 s ASP 72 Cb -0.19 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.04 1df3 s ASP 72 CO -0.04 -0.21 1.34 -0.54 0.21 0.00 0.00 175.17 175.93 1df3 s LYS 73 N -1.89 4.36 0.00 8.23 1.02 -1.06 -1.44 119.74 128.96 1df3 s LYS 73 Ca 0.50 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1df3 s LYS 73 Cb -0.25 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1df3 s LYS 73 CO 0.32 -0.27 0.00 0.25 -0.92 0.00 0.00 175.35 174.73 1df3 n THR 74 N 2.14 0.00 -1.85 2.17 -2.24 -1.05 -4.94 114.28 108.52 1df3 n THR 74 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1df3 n THR 74 Cb 0.42 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.73 1df3 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1df3 n GLU 75 N -0.45 3.53 -3.64 -0.78 1.02 -1.26 -4.85 120.64 114.22 1df3 n GLU 75 Ca 0.00 -2.91 -0.05 0.00 -0.02 0.00 0.00 57.16 54.17 1df3 n GLU 75 Cb 0.00 -2.98 -0.07 0.00 -0.02 0.00 0.00 31.44 28.38 1df3 n GLU 75 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1df3 s LYS 76 N 1.49 0.44 -0.88 3.49 2.47 -1.26 -5.09 119.74 120.39 1df3 s LYS 76 Ca 0.51 0.65 -0.25 0.00 -1.56 0.00 0.00 55.97 55.33 1df3 s LYS 76 Cb 0.14 0.15 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1df3 s LYS 76 CO -0.06 -0.07 1.43 0.00 0.16 0.00 0.00 175.35 176.81 1df3 s ALA 77 N 0.88 2.63 0.00 3.13 0.00 -1.26 -3.96 121.76 123.18 1df3 s ALA 77 Ca -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1df3 s ALA 77 Cb -0.04 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1df3 s ALA 77 CO -0.12 -3.58 0.00 0.41 0.00 0.00 0.00 175.76 172.48 1df3 n GLY 78 N 6.24 1.33 3.74 0.00 0.00 -1.25 -4.06 105.19 111.19 1df3 n GLY 78 Ca 0.21 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1df3 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 79 N 0.00 4.64 -0.03 1.61 2.12 -1.25 -4.65 118.70 121.13 1df3 s GLU 79 Ca 0.00 1.30 0.07 0.00 0.36 0.00 0.00 54.97 56.70 1df3 s GLU 79 Cb 0.00 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1df3 s GLU 79 CO 0.00 0.31 -0.25 0.71 -0.54 0.00 0.00 175.26 175.49 1df3 s TYR 80 N -0.27 2.29 -0.16 5.30 2.02 -0.88 -2.52 117.35 123.14 1df3 s TYR 80 Ca 0.42 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1df3 s TYR 80 Cb -0.23 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1df3 s TYR 80 CO 0.27 -0.11 -0.21 0.45 -1.57 0.00 0.00 175.55 174.39 1df3 s SER 81 N -0.41 3.14 -0.05 2.29 0.15 -0.52 -1.77 113.70 116.53 1df3 s SER 81 Ca 0.04 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1df3 s SER 81 Cb -0.11 -1.46 -0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1df3 s SER 81 CO 0.01 0.05 -0.19 0.54 1.20 0.00 0.00 173.24 174.85 1df3 s VAL 82 N 1.00 1.59 -0.57 4.45 0.11 -0.99 -2.36 120.40 123.64 1df3 s VAL 82 Ca -0.02 -0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 57.99 1df3 s VAL 82 Cb -0.15 -1.36 0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1df3 s VAL 82 CO -0.06 0.45 0.89 -0.89 -3.33 0.00 0.00 175.10 172.16 1df3 s THR 83 N -0.00 4.46 -0.25 5.04 2.01 -1.26 -1.20 115.64 124.43 1df3 s THR 83 Ca -0.04 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1df3 s THR 83 Cb -0.12 -4.53 0.13 0.00 0.01 0.00 0.00 72.50 67.98 1df3 s THR 83 CO 0.03 -1.14 0.31 -0.47 -0.69 0.00 0.00 174.62 172.65 1df3 s TYR 84 N 3.75 -0.57 -1.22 4.92 5.04 -1.26 -4.94 117.35 123.07 1df3 s TYR 84 Ca 0.26 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.17 1df3 s TYR 84 Cb -0.15 -0.26 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 1df3 s TYR 84 CO 0.16 -0.77 0.88 -0.25 -1.34 0.00 0.00 175.55 174.23 1df3 n ASP 85 N 5.33 -2.25 0.00 4.32 8.00 -1.26 -4.59 116.55 126.10 1df3 n ASP 85 Ca -0.03 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1df3 n ASP 85 Cb 0.49 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 1df3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1df3 n GLY 86 N -1.31 0.22 2.82 0.44 0.00 -1.26 -4.85 105.19 101.26 1df3 n GLY 86 Ca -0.27 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1df3 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1df3 s PHE 87 N 0.00 -0.64 -0.78 1.61 5.36 -0.71 -4.60 117.98 118.22 1df3 s PHE 87 Ca 0.00 0.11 -0.18 0.00 -0.96 0.00 0.00 56.93 55.90 1df3 s PHE 87 Cb 0.00 -0.31 0.14 0.00 -0.34 0.00 0.00 43.02 42.50 1df3 s PHE 87 CO 0.00 -0.89 0.90 -0.80 -1.46 0.00 0.00 175.22 172.97 1df3 s ASN 88 N 2.43 6.49 -0.26 6.13 0.01 -0.34 -1.83 114.94 127.58 1df3 s ASN 88 Ca 0.10 -1.94 -0.21 0.00 -0.71 0.00 0.00 52.86 50.10 1df3 s ASN 88 Cb -0.14 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1df3 s ASN 88 CO -0.28 -0.99 0.64 0.42 -1.51 0.00 0.00 177.10 175.38 1df3 s THR 89 N 2.19 4.97 -0.14 1.60 -4.23 -0.90 -2.35 115.64 116.78 1df3 s THR 89 Ca 0.22 1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 61.85 1df3 s THR 89 Cb -0.13 -3.95 0.04 0.00 1.34 0.00 0.00 72.50 69.80 1df3 s THR 89 CO -0.03 0.00 -0.02 0.72 -0.54 0.00 0.00 174.62 174.75 1df3 s PHE 90 N 2.54 1.25 0.15 3.99 -0.71 -0.73 -2.30 117.98 122.17 1df3 s PHE 90 Ca 0.27 -0.75 -0.12 0.00 -1.04 0.00 0.00 56.93 55.28 1df3 s PHE 90 Cb -0.15 -1.10 -0.07 0.00 -1.21 0.00 0.00 43.02 40.49 1df3 s PHE 90 CO 0.09 -0.53 0.52 0.95 -1.34 0.00 0.00 175.22 174.91 1df3 s THR 91 N 1.78 4.91 -0.56 -4.49 -4.23 -1.26 -2.08 115.64 109.72 1df3 s THR 91 Ca 0.02 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.10 1df3 s THR 91 Cb -0.15 -3.70 0.14 0.00 1.34 0.00 0.00 72.50 70.14 1df3 s THR 91 CO -0.07 0.19 0.47 -0.63 -0.54 0.00 0.00 174.62 174.04 1df3 s ILE 92 N -1.52 4.71 0.12 2.99 1.01 -1.26 -3.15 121.20 124.10 1df3 s ILE 92 Ca 0.39 -1.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.00 1df3 s ILE 92 Cb -0.14 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1df3 s ILE 92 CO 0.19 -0.86 1.46 1.55 0.00 0.00 0.00 174.94 177.29 1df3 h PRO 93 N 8.36 0.81 -2.94 2.79 0.13 -1.89 -2.51 132.00 136.77 1df3 h PRO 93 Ca -0.17 -0.41 -0.61 0.00 -0.87 0.00 0.00 66.00 63.94 1df3 h PRO 93 Cb 1.07 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.79 1df3 h PRO 93 CO 0.89 1.04 -0.70 0.15 -0.23 0.00 0.00 178.00 179.15 1df3 s LYS 94 N -4.45 1.83 -0.56 0.86 3.01 -1.23 -4.06 119.74 115.13 1df3 s LYS 94 Ca -0.12 -2.72 -0.24 0.00 -1.01 0.00 0.00 55.97 51.88 1df3 s LYS 94 Cb 0.10 -2.74 0.05 0.00 -1.01 0.00 0.00 37.83 34.22 1df3 s LYS 94 CO 0.85 -1.26 0.93 -0.08 0.51 0.00 0.00 175.35 176.29 1df3 s THR 95 N -0.63 4.40 -1.11 2.17 -1.32 -0.83 -1.77 115.64 116.56 1df3 s THR 95 Ca 0.24 0.14 -0.07 0.00 -1.21 0.00 0.00 61.69 60.80 1df3 s THR 95 Cb -0.09 -4.55 0.29 0.00 -1.51 0.00 0.00 72.50 66.64 1df3 s THR 95 CO -0.12 -1.15 1.30 -0.67 -2.21 0.00 0.00 174.62 171.77 1df3 n ASP 96 N 7.43 5.90 -4.07 8.08 2.03 -0.57 -1.62 116.55 133.73 1df3 n ASP 96 Ca 0.00 -3.20 -0.29 0.00 0.52 0.00 0.00 54.79 51.83 1df3 n ASP 96 Cb 0.47 -1.34 -0.12 0.00 -0.72 0.00 0.00 41.12 39.41 1df3 n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1df3 n TYR 97 N 2.20 0.49 0.00 -0.67 0.18 -1.25 -1.69 117.16 116.42 1df3 n TYR 97 Ca 0.26 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.70 1df3 n TYR 97 Cb 0.36 -1.74 0.00 0.00 -0.38 0.00 0.00 39.34 37.58 1df3 n TYR 97 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1df3 n ASP 98 N 14.84 0.00 -0.03 9.48 2.03 -1.26 -4.89 116.55 136.72 1df3 n ASP 98 Ca 0.44 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.72 1df3 n ASP 98 Cb 0.45 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 1df3 n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1df3 n ASN 99 N 0.00 0.73 -4.34 1.67 4.13 -0.68 -4.68 115.26 112.09 1df3 n ASN 99 Ca 0.00 0.12 -0.17 0.00 1.68 0.00 0.00 54.58 56.21 1df3 n ASN 99 Cb 0.00 -0.51 -0.10 0.00 -1.54 0.00 0.00 39.78 37.63 1df3 n ASN 99 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1df3 s PHE 100 N -1.71 1.58 -0.25 3.10 -0.12 -0.97 -2.40 117.98 117.22 1df3 s PHE 100 Ca -0.10 -0.88 -0.02 0.00 -0.05 0.00 0.00 56.93 55.88 1df3 s PHE 100 Cb 0.01 -0.91 0.12 0.00 -0.63 0.00 0.00 43.02 41.62 1df3 s PHE 100 CO 0.14 0.01 0.30 -1.17 -0.05 0.00 0.00 175.22 174.45 1df3 s LEU 101 N -3.31 -0.36 -0.45 -1.99 0.20 -0.43 -1.51 118.68 110.83 1df3 s LEU 101 Ca 0.28 -0.23 -0.20 0.00 0.69 0.00 0.00 54.13 54.67 1df3 s LEU 101 Cb 0.05 0.70 0.03 0.00 -0.43 0.00 0.00 46.19 46.55 1df3 s LEU 101 CO 0.08 -0.34 0.59 -0.04 -0.29 0.00 0.00 176.35 176.36 1df3 s MET 102 N 2.42 3.19 -0.22 1.98 -1.94 -0.73 -1.40 119.30 122.60 1df3 s MET 102 Ca 0.10 -0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1df3 s MET 102 Cb -0.15 -4.00 -0.01 0.00 2.01 0.00 0.00 34.83 32.69 1df3 s MET 102 CO -0.20 -1.04 -0.04 0.00 -0.01 0.00 0.00 175.02 173.73 1df3 s ALA 103 N 2.63 2.82 0.32 3.03 0.00 -0.89 -3.22 121.76 126.45 1df3 s ALA 103 Ca 0.18 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 1df3 s ALA 103 Cb -0.16 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.14 1df3 s ALA 103 CO 0.16 -0.45 0.90 -1.58 0.00 0.00 0.00 175.76 174.79 1df3 s HIS 104 N 1.48 3.62 -0.09 0.00 5.65 -1.19 -1.56 115.29 123.20 1df3 s HIS 104 Ca 0.06 1.67 -0.03 0.00 0.25 0.00 0.00 55.06 57.01 1df3 s HIS 104 Cb -0.14 -2.85 0.04 0.00 -1.18 0.00 0.00 32.58 28.45 1df3 s HIS 104 CO -0.03 0.18 0.07 -1.17 -0.65 0.00 0.00 174.74 173.14 1df3 s LEU 105 N -2.23 0.26 -0.44 8.88 0.20 -0.28 -4.19 118.68 120.88 1df3 s LEU 105 Ca 0.51 -0.21 -0.08 0.00 0.69 0.00 0.00 54.13 55.04 1df3 s LEU 105 Cb -0.17 -0.20 0.10 0.00 -0.43 0.00 0.00 46.19 45.49 1df3 s LEU 105 CO 0.21 -0.29 0.28 -0.63 -0.29 0.00 0.00 176.35 175.64 1df3 s ILE 106 N 2.14 4.03 -0.33 6.68 1.01 -0.97 -1.88 121.20 131.88 1df3 s ILE 106 Ca 0.04 -1.69 -0.21 0.00 0.00 0.00 0.00 60.65 58.79 1df3 s ILE 106 Cb -0.14 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 1df3 s ILE 106 CO -0.05 -0.65 0.64 0.21 0.00 0.00 0.00 174.94 175.09 1df3 s ASN 107 N 2.31 6.47 -0.08 3.58 3.84 -0.95 -2.12 114.94 127.99 1df3 s ASN 107 Ca 0.05 0.31 0.05 0.00 0.21 0.00 0.00 52.86 53.47 1df3 s ASN 107 Cb -0.24 -2.33 -0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1df3 s ASN 107 CO -0.00 -0.54 -0.23 -0.70 -2.79 0.00 0.00 177.10 172.84 1df3 s GLU 108 N 2.68 2.64 0.00 0.43 2.12 -0.76 -2.24 118.70 123.57 1df3 s GLU 108 Ca 0.25 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1df3 s GLU 108 Cb -0.15 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1df3 s GLU 108 CO 0.13 0.24 0.00 0.36 -0.54 0.00 0.00 175.26 175.45 1df3 n LYS 109 N 3.33 0.74 -2.49 4.30 2.85 -0.56 -1.73 118.16 124.59 1df3 n LYS 109 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 1df3 n LYS 109 Cb 0.53 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 1df3 n LYS 109 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1df3 s ASP 110 N 1.00 6.36 -1.47 -5.58 -1.08 -1.26 -4.11 116.67 110.53 1df3 s ASP 110 Ca 0.00 -1.54 -0.01 0.00 -0.52 0.00 0.00 52.55 50.48 1df3 s ASP 110 Cb 0.00 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1df3 s ASP 110 CO 0.00 -1.64 0.14 0.61 0.52 0.00 0.00 175.17 174.80 1df3 n GLY 111 N 6.60 -0.50 2.90 2.66 0.00 -1.26 -5.01 105.19 110.58 1df3 n GLY 111 Ca 0.37 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 1df3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 112 N -5.22 0.08 -0.11 1.61 2.02 -1.26 -5.15 118.70 110.66 1df3 s GLU 112 Ca 0.08 0.61 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 1df3 s GLU 112 Cb -0.04 -0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.06 1df3 s GLU 112 CO 0.10 -0.29 0.23 -0.08 0.02 0.00 0.00 175.26 175.24 1df3 s THR 113 N 2.24 -0.27 0.05 3.63 -1.32 -1.26 -1.50 115.64 117.21 1df3 s THR 113 Ca 0.01 0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.78 1df3 s THR 113 Cb -0.12 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.45 1df3 s THR 113 CO -0.07 0.11 0.00 0.72 -2.21 0.00 0.00 174.62 173.17 1df3 s PHE 114 N 2.02 3.03 0.01 9.09 -0.12 -0.95 -5.00 117.98 126.06 1df3 s PHE 114 Ca -0.02 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 1df3 s PHE 114 Cb -0.12 -1.60 -0.04 0.00 -0.63 0.00 0.00 43.02 40.64 1df3 s PHE 114 CO -0.08 0.47 0.05 1.14 -0.05 0.00 0.00 175.22 176.75 1df3 s GLN 115 N -1.99 2.92 -0.18 1.99 1.03 -1.26 -2.23 119.66 119.93 1df3 s GLN 115 Ca 0.23 -0.57 -0.07 0.00 0.04 0.00 0.00 55.36 54.99 1df3 s GLN 115 Cb -0.12 -2.76 0.08 0.00 0.03 0.00 0.00 33.01 30.24 1df3 s GLN 115 CO 0.15 0.63 0.40 -1.17 -2.54 0.00 0.00 175.29 172.76 1df3 s LEU 116 N -1.76 -0.41 -0.05 2.60 0.20 -0.79 -2.81 118.68 115.67 1df3 s LEU 116 Ca 0.22 0.92 -0.03 0.00 0.69 0.00 0.00 54.13 55.93 1df3 s LEU 116 Cb -0.12 1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 46.89 1df3 s LEU 116 CO 0.13 -0.22 0.12 -0.04 -0.29 0.00 0.00 176.35 176.06 1df3 s MET 117 N 2.17 3.28 -0.20 1.98 -1.94 -0.86 -1.13 119.30 122.59 1df3 s MET 117 Ca -0.04 -0.33 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1df3 s MET 117 Cb -0.11 -3.02 0.06 0.00 2.01 0.00 0.00 34.83 33.77 1df3 s MET 117 CO -0.12 0.70 0.00 0.20 -0.01 0.00 0.00 175.02 175.79 1df3 s GLY 118 N -1.52 0.90 -0.30 -0.03 0.00 -0.60 -1.80 107.32 103.97 1df3 s GLY 118 Ca 0.21 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1df3 s GLY 118 CO 0.11 1.23 1.39 -2.27 0.00 0.00 0.00 173.10 173.57 1df3 s LEU 119 N 1.70 3.84 0.31 0.66 2.96 -0.32 -2.11 118.68 125.73 1df3 s LEU 119 Ca -0.02 1.26 0.08 0.00 -0.22 0.00 0.00 54.13 55.23 1df3 s LEU 119 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1df3 s LEU 119 CO -0.07 -1.17 0.12 -0.31 -1.32 0.00 0.00 176.35 173.60 1df3 s TYR 120 N 4.73 2.75 -0.11 5.38 2.02 -0.49 -1.23 117.35 130.40 1df3 s TYR 120 Ca 0.61 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.70 1df3 s TYR 120 Cb -0.18 -1.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.93 1df3 s TYR 120 CO 0.26 0.41 0.72 0.20 -1.57 0.00 0.00 175.55 175.57 1df3 s GLY 121 N -3.81 -0.54 0.22 0.71 0.00 -0.89 -1.32 107.32 101.69 1df3 s GLY 121 Ca 0.36 1.54 -0.08 0.00 0.00 0.00 0.00 44.72 46.55 1df3 s GLY 121 CO 0.22 1.14 1.80 3.21 0.00 0.00 0.00 173.10 179.48 1df3 h ARG 122 N 3.39 1.20 -7.20 2.90 2.47 -1.68 -0.67 114.38 114.79 1df3 h ARG 122 Ca -0.27 -0.19 -0.48 0.00 -1.26 0.00 0.00 59.98 57.78 1df3 h ARG 122 Cb 1.15 -0.21 0.04 0.00 -1.65 0.00 0.00 29.97 29.30 1df3 h ARG 122 CO 0.31 0.94 0.38 -1.21 0.56 0.00 0.00 179.97 180.95 1df3 s GLU 123 N -5.64 3.65 0.37 0.04 2.02 -1.26 -4.76 118.70 113.12 1df3 s GLU 123 Ca -0.12 1.06 0.15 0.00 0.02 0.00 0.00 54.97 56.08 1df3 s GLU 123 Cb 0.16 -2.09 0.99 0.00 0.10 0.00 0.00 34.13 33.30 1df3 s GLU 123 CO 0.83 -0.53 1.79 -1.35 0.02 0.00 0.00 175.26 176.02 1df3 h PRO 124 N 0.66 0.49 -4.04 0.39 0.11 -1.96 -3.43 132.00 124.21 1df3 h PRO 124 Ca -0.47 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 1df3 h PRO 124 Cb 1.20 -0.11 -0.30 0.00 0.11 0.00 0.00 31.00 31.90 1df3 h PRO 124 CO 0.60 0.32 -0.75 0.16 -0.21 0.00 0.00 178.00 178.12 1df3 s ASP 125 N -5.38 0.46 0.63 -2.05 1.47 -1.26 -4.66 116.67 105.87 1df3 s ASP 125 Ca -0.09 -0.06 -0.01 0.00 1.18 0.00 0.00 52.55 53.57 1df3 s ASP 125 Cb 0.25 -0.11 0.07 0.00 -0.34 0.00 0.00 42.92 42.79 1df3 s ASP 125 CO 0.80 0.01 0.88 -0.76 0.68 0.00 0.00 175.17 176.78 1df3 s LEU 126 N 0.21 3.10 0.54 2.11 1.43 -1.26 -5.08 118.68 119.73 1df3 s LEU 126 Ca -0.02 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 1df3 s LEU 126 Cb -0.05 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 1df3 s LEU 126 CO -0.00 -1.45 1.22 -0.55 0.23 0.00 0.00 176.35 175.80 1df3 s SER 127 N -4.54 5.54 0.37 2.29 0.15 -1.26 -4.91 113.70 111.33 1df3 s SER 127 Ca 0.61 2.43 0.06 0.00 0.70 0.00 0.00 55.95 59.75 1df3 s SER 127 Cb -0.09 -2.61 0.77 0.00 -1.71 0.00 0.00 66.02 62.38 1df3 s SER 127 CO 0.41 -1.36 1.97 0.28 1.20 0.00 0.00 173.24 175.75 1df3 h SER 128 N 1.37 0.63 -0.11 5.45 0.02 -1.99 -2.63 113.55 116.29 1df3 h SER 128 Ca -0.50 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1df3 h SER 128 Cb 1.28 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1df3 h SER 128 CO 0.57 0.41 -0.20 0.44 -1.14 0.00 0.00 176.83 176.92 1df3 h ASP 129 N 0.72 0.51 -0.15 3.07 3.32 -1.99 -1.27 116.42 120.63 1df3 h ASP 129 Ca 0.29 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1df3 h ASP 129 Cb 0.22 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1df3 h ASP 129 CO -0.09 0.72 0.06 0.40 -1.72 0.00 0.00 179.24 178.61 1df3 h ILE 130 N 0.47 1.16 -0.81 0.35 2.04 -1.88 -1.96 117.51 116.88 1df3 h ILE 130 Ca 0.08 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1df3 h ILE 130 Cb 0.61 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1df3 h ILE 130 CO 0.04 0.15 0.49 0.11 0.00 0.00 0.00 178.15 178.94 1df3 h LYS 131 N 0.09 0.88 -0.42 2.37 1.57 -1.45 -1.24 116.57 118.37 1df3 h LYS 131 Ca 0.05 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1df3 h LYS 131 Cb 0.18 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1df3 h LYS 131 CO -0.00 0.58 0.14 0.93 -0.57 0.00 0.00 179.45 180.52 1df3 h GLU 132 N 0.91 0.28 -0.79 3.15 5.08 -1.28 -2.10 114.58 119.84 1df3 h GLU 132 Ca 0.35 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 1df3 h GLU 132 Cb 0.16 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1df3 h GLU 132 CO -0.17 0.19 0.44 0.00 -1.00 0.00 0.00 179.01 178.47 1df3 h ARG 133 N 0.29 0.73 -0.70 2.33 -0.00 -1.03 -2.07 114.38 113.93 1df3 h ARG 133 Ca 0.20 -0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.67 1df3 h ARG 133 Cb 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 29.97 29.96 1df3 h ARG 133 CO -0.21 0.48 0.43 0.35 0.00 0.00 0.00 179.97 181.02 1df3 h PHE 134 N 0.75 0.81 -0.66 3.04 3.57 -1.13 -1.63 116.94 121.69 1df3 h PHE 134 Ca 0.38 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1df3 h PHE 134 Cb 0.35 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1df3 h PHE 134 CO -0.07 0.45 0.38 0.00 -2.23 0.00 0.00 178.31 176.84 1df3 h ALA 135 N 1.31 1.42 -0.27 2.41 0.00 -1.09 0.43 119.26 123.48 1df3 h ALA 135 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1df3 h ALA 135 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1df3 h ALA 135 CO -0.12 0.49 0.13 1.96 0.00 0.00 0.00 179.25 181.71 1df3 h GLN 136 N 0.91 0.38 -0.67 0.00 1.08 -1.29 -2.68 115.11 112.84 1df3 h GLN 136 Ca 0.24 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1df3 h GLN 136 Cb -0.00 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1df3 h GLN 136 CO -0.04 0.37 0.26 1.25 -0.95 0.00 0.00 178.83 179.72 1df3 h LEU 137 N 0.30 0.91 0.06 1.46 5.85 -1.19 -2.30 115.31 120.40 1df3 h LEU 137 Ca 0.09 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1df3 h LEU 137 Cb 0.11 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1df3 h LEU 137 CO -0.01 0.82 -0.03 0.00 -0.34 0.00 0.00 178.44 178.88 1df3 h GLU 139 N -0.08 0.45 -0.24 0.00 4.22 -1.50 -0.65 114.58 116.79 1df3 h GLU 139 Ca -0.01 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.44 1df3 h GLU 139 Cb 0.06 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1df3 h GLU 139 CO 0.01 0.30 0.04 1.49 -2.18 0.00 0.00 179.01 178.67 1df3 h GLU 140 N 0.47 0.12 -0.20 1.92 4.22 -1.34 -3.25 114.58 116.51 1df3 h GLU 140 Ca 0.36 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.67 1df3 h GLU 140 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1df3 h GLU 140 CO -0.34 0.08 -0.37 0.45 -2.18 0.00 0.00 179.01 176.65 1df3 h HIS 141 N 0.12 0.52 0.00 0.92 3.86 -1.25 -3.48 115.15 115.85 1df3 h HIS 141 Ca 0.11 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1df3 h HIS 141 Cb 0.11 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1df3 h HIS 141 CO -0.16 0.76 0.00 0.41 0.86 0.00 0.00 177.93 179.80 1df3 n GLY 142 N -0.14 0.99 3.11 2.45 0.00 -0.67 -5.11 105.19 105.81 1df3 n GLY 142 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1df3 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1df3 s ILE 143 N -1.35 1.74 0.59 -0.61 1.01 -0.34 -4.81 121.20 117.42 1df3 s ILE 143 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 1df3 s ILE 143 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1df3 s ILE 143 CO 0.00 0.49 1.09 -0.76 0.00 0.00 0.00 174.94 175.76 1df3 s LEU 144 N 0.89 3.58 0.44 2.97 1.43 -1.26 -3.63 118.68 123.09 1df3 s LEU 144 Ca -0.07 1.99 0.29 0.00 -1.03 0.00 0.00 54.13 55.31 1df3 s LEU 144 Cb -0.15 -4.56 1.08 0.00 0.03 0.00 0.00 46.19 42.59 1df3 s LEU 144 CO -0.01 -1.28 1.85 0.03 0.23 0.00 0.00 176.35 177.16 1df3 h ARG 145 N 0.67 0.00 -0.35 1.70 3.08 -1.98 -3.23 114.38 114.27 1df3 h ARG 145 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1df3 h ARG 145 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1df3 h ARG 145 CO 0.56 0.00 0.18 1.05 -1.07 0.00 0.00 179.97 180.69 1df3 h GLU 146 N 0.00 0.48 0.00 0.04 -0.00 -2.02 -3.11 114.58 109.97 1df3 h GLU 146 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1df3 h GLU 146 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1df3 h GLU 146 CO 0.00 0.37 0.00 -2.95 -0.00 0.00 0.00 179.01 176.43 1df3 h ASN 147 N 0.48 0.00 -2.26 3.06 7.08 -1.89 -3.46 115.58 118.59 1df3 h ASN 147 Ca 0.12 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.82 1df3 h ASN 147 Cb 0.04 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.24 1df3 h ASN 147 CO -0.02 0.00 1.27 -0.63 -2.08 0.00 0.00 177.43 175.97 1df3 s ILE 148 N -3.14 3.49 -0.23 6.14 1.01 -1.18 -4.62 121.20 122.67 1df3 s ILE 148 Ca 0.10 0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1df3 s ILE 148 Cb 0.11 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1df3 s ILE 148 CO 0.58 -1.00 0.45 -0.63 0.00 0.00 0.00 174.94 174.34 1df3 s ILE 149 N 7.90 5.14 -0.85 2.92 1.01 -1.25 -5.03 121.20 131.04 1df3 s ILE 149 Ca 0.62 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.83 1df3 s ILE 149 Cb -0.13 -3.77 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1df3 s ILE 149 CO 0.22 0.18 1.19 -1.81 0.00 0.00 0.00 174.94 174.72 1df3 s ASP 150 N 1.30 6.41 0.58 3.58 1.01 -1.26 -3.06 116.67 125.23 1df3 s ASP 150 Ca 0.20 -1.38 0.33 0.00 0.71 0.00 0.00 52.55 52.41 1df3 s ASP 150 Cb -0.15 -2.47 1.81 0.00 1.01 0.00 0.00 42.92 43.12 1df3 s ASP 150 CO 0.09 -1.39 2.20 -0.07 0.21 0.00 0.00 175.17 176.21 1df3 h LEU 151 N 11.67 0.00 -8.56 1.23 -0.00 -1.53 -3.41 115.31 114.71 1df3 h LEU 151 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.43 1df3 h LEU 151 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1df3 h LEU 151 CO 1.24 0.04 1.45 -0.94 -0.00 0.00 0.00 178.44 180.23 1df3 s SER 152 N -5.87 4.57 -0.65 -0.43 1.04 -0.86 -2.61 113.70 108.89 1df3 s SER 152 Ca -0.04 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.18 1df3 s SER 152 Cb 0.13 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1df3 s SER 152 CO 0.53 -2.85 0.67 -3.20 0.98 0.00 0.00 173.24 169.36 1df3 n ASN 153 N 15.46 -7.82 0.00 7.02 5.15 -1.26 -5.01 115.26 128.80 1df3 n ASN 153 Ca 0.34 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1df3 n ASN 153 Cb 0.53 -5.32 0.00 0.00 -0.53 0.00 0.00 39.78 34.47 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1df3 n ALA 154 N -1.38 2.59 -3.13 5.20 0.00 -1.07 -4.93 120.51 117.80 1df3 n ALA 154 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 1df3 n ALA 154 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 1df3 n ALA 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1df3 n ASN 155 N -1.89 3.41 -4.85 0.00 3.02 -1.26 -5.11 115.26 108.58 1df3 n ASN 155 Ca 0.00 -3.44 -0.32 0.00 -0.03 0.00 0.00 54.58 50.79 1df3 n ASN 155 Cb 0.00 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1df3 n ASN 155 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1df3 s ARG 156 N -2.88 3.94 -1.37 3.52 3.52 -1.26 -4.84 118.95 119.59 1df3 s ARG 156 Ca 0.44 0.70 -0.15 0.00 -0.13 0.00 0.00 55.73 56.59 1df3 s ARG 156 Cb 0.25 -2.33 0.07 0.00 -1.56 0.00 0.00 34.95 31.37 1df3 s ARG 156 CO -0.09 -0.01 1.96 0.00 -0.81 0.00 0.00 175.30 176.35 1df3 s LEU 158 N 2.68 -0.85 -0.62 0.00 1.98 -1.26 -5.06 118.68 115.56 1df3 s LEU 158 Ca 0.49 0.97 -0.26 0.00 -2.89 0.00 0.00 54.13 52.44 1df3 s LEU 158 Cb 0.09 1.89 0.04 0.00 0.66 0.00 0.00 46.19 48.86 1df3 s LEU 158 CO -0.01 -0.16 1.10 -1.58 -1.89 0.00 0.00 176.35 173.81 1df3 s GLN 159 N 2.70 3.33 -0.22 1.98 -0.44 -1.26 -4.97 119.66 120.79 1df3 s GLN 159 Ca 0.00 -0.17 -0.05 0.00 -2.50 0.00 0.00 55.36 52.65 1df3 s GLN 159 Cb -0.10 -4.09 0.11 0.00 -1.64 0.00 0.00 33.01 27.29 1df3 s GLN 159 CO -0.18 -1.74 0.39 0.00 0.50 0.00 0.00 175.29 174.27 1df3 s ALA 160 N 4.68 -1.11 -0.25 1.58 0.00 -1.26 -5.15 121.76 120.25 1df3 s ALA 160 Ca 0.34 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 1df3 s ALA 160 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1df3 s ALA 160 CO 0.19 -0.98 0.38 1.03 0.00 0.00 0.00 175.76 176.38 1df3 s ARG 161 N 2.58 4.06 0.00 0.00 1.81 -1.26 -5.19 118.95 120.94 1df3 s ARG 161 Ca 0.05 0.08 0.25 0.00 -1.72 0.00 0.00 55.73 54.39 1df3 s ARG 161 Cb -0.14 -3.62 0.41 0.00 -0.45 0.00 0.00 34.95 31.15 1df3 s ARG 161 CO -0.14 -0.22 1.39 0.39 -0.68 0.00 0.00 175.30 176.04