#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df3 s GLU 2 N 0.00 2.53 0.33 5.31 -1.05 -1.26 -4.30 118.70 120.25 1df3 s GLU 2 Ca 0.00 -1.38 -0.14 0.00 -0.15 0.00 0.00 54.97 53.29 1df3 s GLU 2 Cb 0.00 -3.61 -0.09 0.00 -0.44 0.00 0.00 34.13 29.99 1df3 s GLU 2 CO 0.00 -0.84 0.73 0.00 0.95 0.00 0.00 175.26 176.10 1df3 s ALA 3 N 1.38 3.34 -0.17 -0.84 0.00 -0.54 -4.65 121.76 120.27 1df3 s ALA 3 Ca 0.02 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1df3 s ALA 3 Cb -0.21 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1df3 s ALA 3 CO 0.02 0.30 0.55 -1.12 0.00 0.00 0.00 175.76 175.51 1df3 s SER 4 N -2.38 6.65 0.10 0.00 0.01 -1.24 -2.03 113.70 114.81 1df3 s SER 4 Ca 0.53 0.79 -0.18 0.00 1.31 0.00 0.00 55.95 58.40 1df3 s SER 4 Cb -0.10 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1df3 s SER 4 CO 0.19 -0.15 1.63 0.77 0.41 0.00 0.00 173.24 176.09 1df3 h SER 5 N 7.22 0.39 -0.76 2.44 4.64 -1.72 -3.33 113.55 122.42 1df3 h SER 5 Ca -0.36 -0.19 0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1df3 h SER 5 Cb 1.16 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1df3 h SER 5 CO 0.75 0.48 0.50 0.71 -0.87 0.00 0.00 176.83 178.41 1df3 h THR 6 N 0.28 1.07 -1.43 2.95 1.35 -1.86 -3.39 112.91 111.89 1df3 h THR 6 Ca 0.09 -0.30 0.08 0.00 -0.55 0.00 0.00 66.41 65.73 1df3 h THR 6 Cb 0.22 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1df3 h THR 6 CO -0.00 0.16 0.21 0.61 -0.25 0.00 0.00 175.52 176.24 1df3 n GLY 7 N -1.43 0.60 5.00 5.82 0.00 -1.25 -4.72 105.19 109.21 1df3 n GLY 7 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1df3 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1df3 n ARG 8 N -0.21 0.00 -3.24 1.61 0.63 -1.26 -4.55 116.66 109.64 1df3 n ARG 8 Ca 0.01 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 1df3 n ARG 8 Cb 0.14 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.97 1df3 n ARG 8 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1df3 n ASN 9 N 3.20 -0.52 -3.66 6.15 6.94 -1.26 -5.11 115.26 121.01 1df3 n ASN 9 Ca 0.00 -2.58 -0.07 0.00 -0.02 0.00 0.00 54.58 51.90 1df3 n ASN 9 Cb 0.00 -0.33 -0.09 0.00 -2.36 0.00 0.00 39.78 37.00 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1df3 s PHE 10 N -0.37 -0.88 -0.03 -2.53 5.36 -1.26 -4.46 117.98 113.80 1df3 s PHE 10 Ca 0.34 1.69 -0.13 0.00 -0.96 0.00 0.00 56.93 57.87 1df3 s PHE 10 Cb 0.10 0.43 -0.05 0.00 -0.34 0.00 0.00 43.02 43.16 1df3 s PHE 10 CO -0.16 -0.49 0.35 -0.80 -1.46 0.00 0.00 175.22 172.66 1df3 s ASN 11 N 2.25 6.71 0.18 6.13 -0.87 -1.26 -5.01 114.94 123.07 1df3 s ASN 11 Ca -0.05 0.85 -0.09 0.00 -1.57 0.00 0.00 52.86 51.99 1df3 s ASN 11 Cb -0.10 -2.21 0.06 0.00 -0.02 0.00 0.00 41.25 38.98 1df3 s ASN 11 CO -0.15 0.34 1.63 -0.37 -2.57 0.00 0.00 177.10 175.98 1df3 h VAL 12 N 3.78 1.27 -0.94 1.60 -1.51 -1.97 -3.36 116.25 115.11 1df3 h VAL 12 Ca -0.52 -1.21 0.19 0.00 -1.23 0.00 0.00 66.70 63.93 1df3 h VAL 12 Cb 1.22 0.86 -0.08 0.00 -2.13 0.00 0.00 31.29 31.17 1df3 h VAL 12 CO 0.61 0.43 0.60 -0.33 -1.23 0.00 0.00 177.57 177.66 1df3 h GLU 13 N 0.95 0.56 -0.42 5.19 5.08 -1.96 -2.74 114.58 121.24 1df3 h GLU 13 Ca 0.16 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1df3 h GLU 13 Cb 0.61 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1df3 h GLU 13 CO 0.04 0.37 0.11 1.57 -1.00 0.00 0.00 179.01 180.10 1df3 h LYS 14 N 0.58 0.62 -1.01 2.33 2.10 -2.00 -3.10 116.57 116.09 1df3 h LYS 14 Ca 0.50 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1df3 h LYS 14 Cb 1.01 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1df3 h LYS 14 CO -0.25 0.56 0.00 0.44 -2.00 0.00 0.00 179.45 178.20 1df3 n ILE 15 N -4.33 0.61 -3.71 0.07 -5.35 -1.03 -4.84 119.36 100.78 1df3 n ILE 15 Ca 0.03 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.14 1df3 n ILE 15 Cb 0.19 -0.80 -0.12 0.00 -1.74 0.00 0.00 39.64 37.17 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 0.62 5.34 0.00 7.28 2.47 -1.18 -4.72 114.94 124.75 1df3 s ASN 16 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.10 1df3 s ASN 16 Cb 0.00 -1.97 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1df3 s ASN 16 CO 0.00 -0.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.95 1df3 n GLY 17 N 4.96 0.17 3.69 1.21 0.00 -1.07 -5.03 105.19 109.11 1df3 n GLY 17 Ca -0.16 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1df3 n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1df3 s GLU 18 N -2.00 4.33 -0.08 1.61 -1.05 -1.26 -2.32 118.70 117.92 1df3 s GLU 18 Ca 0.00 1.75 -0.06 0.00 -0.15 0.00 0.00 54.97 56.51 1df3 s GLU 18 Cb 0.00 -3.57 0.03 0.00 -0.44 0.00 0.00 34.13 30.15 1df3 s GLU 18 CO 0.00 -0.49 0.21 -1.58 0.95 0.00 0.00 175.26 174.35 1df3 s TRP 19 N 2.30 -0.24 -0.01 4.83 0.52 -1.18 -4.34 118.94 120.81 1df3 s TRP 19 Ca 0.58 0.59 0.03 0.00 0.02 0.00 0.00 56.10 57.32 1df3 s TRP 19 Cb -0.26 0.05 -0.01 0.00 -1.15 0.00 0.00 33.47 32.10 1df3 s TRP 19 CO 0.23 -0.14 -0.09 -1.01 0.02 0.00 0.00 176.95 175.96 1df3 s HIS 20 N 0.50 0.82 -0.01 -1.98 3.76 -0.47 -3.08 115.29 114.84 1df3 s HIS 20 Ca -0.03 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.41 1df3 s HIS 20 Cb -0.05 -0.54 -0.06 0.00 1.11 0.00 0.00 32.58 33.05 1df3 s HIS 20 CO -0.03 -0.03 1.47 0.99 -0.85 0.00 0.00 174.74 176.30 1df3 s THR 21 N -0.15 3.62 -0.14 1.30 2.01 -1.26 -1.76 115.64 119.26 1df3 s THR 21 Ca 0.03 0.96 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 1df3 s THR 21 Cb -0.04 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1df3 s THR 21 CO -0.00 -0.02 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.26 1df3 n ILE 22 N 4.86 1.36 -4.32 1.82 2.08 -0.29 -4.13 119.36 120.75 1df3 n ILE 22 Ca 0.14 0.07 -0.19 0.00 0.56 0.00 0.00 62.75 63.33 1df3 n ILE 22 Cb 0.43 -2.06 -0.15 0.00 -0.75 0.00 0.00 39.64 37.11 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 -2.60 0.66 -0.19 1.39 1.01 -1.06 -2.81 121.20 117.61 1df3 s ILE 23 Ca -0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1df3 s ILE 23 Cb 0.05 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 41.99 1df3 s ILE 23 CO 0.34 0.21 -0.01 -0.22 0.00 0.00 0.00 174.94 175.25 1df3 s LEU 24 N 0.10 1.58 -0.13 2.97 2.96 -1.16 -1.02 118.68 123.96 1df3 s LEU 24 Ca -0.01 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.11 1df3 s LEU 24 Cb -0.07 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.84 1df3 s LEU 24 CO 0.00 -0.25 -0.15 0.00 -1.32 0.00 0.00 176.35 174.63 1df3 s ALA 25 N 1.70 1.85 -0.11 5.97 0.00 -1.12 -4.10 121.76 125.95 1df3 s ALA 25 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1df3 s ALA 25 Cb -0.17 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1df3 s ALA 25 CO -0.07 -0.24 -0.04 0.45 0.00 0.00 0.00 175.76 175.86 1df3 s SER 26 N 1.24 4.85 0.32 0.00 0.15 -1.26 -2.03 113.70 116.97 1df3 s SER 26 Ca -0.00 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.65 1df3 s SER 26 Cb -0.14 -1.50 0.64 0.00 -1.71 0.00 0.00 66.02 63.31 1df3 s SER 26 CO -0.07 0.28 1.90 -0.78 1.20 0.00 0.00 173.24 175.78 1df3 h ASP 27 N 5.85 0.81 -0.92 5.45 3.58 -1.77 -2.85 116.42 126.56 1df3 h ASP 27 Ca -0.42 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.07 1df3 h ASP 27 Cb 1.18 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 1df3 h ASP 27 CO 0.57 0.48 0.61 0.11 -2.88 0.00 0.00 179.24 178.14 1df3 h LYS 28 N 0.89 1.20 -5.84 0.28 1.79 -1.96 -3.49 116.57 109.45 1df3 h LYS 28 Ca 0.41 -0.07 -0.38 0.00 -2.18 0.00 0.00 60.65 58.42 1df3 h LYS 28 Cb 0.38 -0.27 0.13 0.00 -1.58 0.00 0.00 32.23 30.88 1df3 h LYS 28 CO -0.17 0.80 -0.73 -2.13 -1.08 0.00 0.00 179.45 176.13 1df3 n ARG 29 N -4.45 -7.01 0.00 3.15 0.63 -1.08 -4.91 116.66 103.00 1df3 n ARG 29 Ca 0.11 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 1df3 n ARG 29 Cb 0.02 -5.79 0.00 0.00 0.45 0.00 0.00 32.46 27.15 1df3 n ARG 29 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1df3 n GLU 30 N -4.60 0.00 -0.08 -0.14 0.28 -1.26 -4.90 120.64 109.94 1df3 n GLU 30 Ca -0.12 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.81 1df3 n GLU 30 Cb 0.61 -0.45 -0.00 0.00 1.43 0.00 0.00 31.44 33.03 1df3 n GLU 30 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1df3 h LYS 31 N 0.00 0.15 0.00 3.44 1.79 -1.93 -3.05 116.57 116.97 1df3 h LYS 31 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1df3 h LYS 31 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1df3 h LYS 31 CO 0.00 0.10 0.00 0.44 -1.08 0.00 0.00 179.45 178.91 1df3 n ILE 32 N -5.10 0.60 -1.81 1.86 -5.35 -1.25 -2.35 119.36 105.97 1df3 n ILE 32 Ca -0.00 0.15 -0.16 0.00 -0.27 0.00 0.00 62.75 62.47 1df3 n ILE 32 Cb 0.13 -0.81 0.11 0.00 -1.74 0.00 0.00 39.64 37.33 1df3 n ILE 32 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1df3 n GLU 33 N -1.47 -0.50 -1.68 6.28 1.02 -1.15 -4.60 120.64 118.54 1df3 n GLU 33 Ca 0.06 -1.34 -0.42 0.00 -0.02 0.00 0.00 57.16 55.44 1df3 n GLU 33 Cb 0.22 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 1df3 n GLU 33 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1df3 n ASP 34 N -3.35 4.13 -3.54 1.62 -0.08 -1.26 -2.75 116.55 111.32 1df3 n ASP 34 Ca 0.10 0.95 -0.19 0.00 -1.51 0.00 0.00 54.79 54.14 1df3 n ASP 34 Cb 0.35 -1.54 0.07 0.00 2.34 0.00 0.00 41.12 42.33 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 6.47 -2.14 -4.50 1.67 2.85 -1.26 -5.07 115.26 113.28 1df3 n ASN 35 Ca 0.19 -0.68 -0.25 0.00 -0.11 0.00 0.00 54.58 53.73 1df3 n ASN 35 Cb 0.39 -4.75 -0.10 0.00 1.24 0.00 0.00 39.78 36.56 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1df3 s GLY 36 N -4.26 2.03 0.19 8.20 0.00 -1.11 -5.09 107.32 107.28 1df3 s GLY 36 Ca 0.06 -1.98 -0.10 0.00 0.00 0.00 0.00 44.72 42.71 1df3 s GLY 36 CO 0.76 -2.00 1.69 3.43 0.00 0.00 0.00 173.10 176.98 1df3 h ASN 37 N 2.16 1.01 -1.84 1.64 4.21 -1.85 -3.22 115.58 117.68 1df3 h ASN 37 Ca -0.41 -0.25 -0.72 0.00 1.21 0.00 0.00 56.30 56.13 1df3 h ASN 37 Cb 1.26 -0.27 -0.31 0.00 -1.12 0.00 0.00 38.32 37.88 1df3 h ASN 37 CO 0.65 1.00 0.63 0.49 -1.29 0.00 0.00 177.43 178.90 1df3 n PHE 38 N -4.27 3.09 -3.46 1.19 3.01 -0.99 -4.73 117.46 111.30 1df3 n PHE 38 Ca 0.04 -2.53 -0.42 0.00 1.01 0.00 0.00 57.45 55.56 1df3 n PHE 38 Cb 0.27 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.78 1df3 n PHE 38 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1df3 s ARG 39 N -3.94 3.84 -0.09 -1.08 3.52 -1.12 -3.79 118.95 116.29 1df3 s ARG 39 Ca 0.51 -3.24 0.00 0.00 -0.13 0.00 0.00 55.73 52.88 1df3 s ARG 39 Cb 0.43 -4.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1df3 s ARG 39 CO -0.35 -1.25 -0.08 -0.51 -0.81 0.00 0.00 175.30 172.30 1df3 s LEU 40 N -1.28 1.31 -0.21 -0.88 1.43 -1.26 -4.87 118.68 112.92 1df3 s LEU 40 Ca 0.29 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 1df3 s LEU 40 Cb -0.09 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1df3 s LEU 40 CO -0.10 -0.07 0.55 -0.36 0.23 0.00 0.00 176.35 176.60 1df3 s PHE 41 N 1.35 3.36 0.22 0.29 0.40 -0.84 -4.81 117.98 117.95 1df3 s PHE 41 Ca -0.02 0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 56.82 1df3 s PHE 41 Cb -0.14 -2.71 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 1df3 s PHE 41 CO -0.04 -0.14 1.25 -1.17 0.70 0.00 0.00 175.22 175.81 1df3 s LEU 42 N 1.79 4.44 -0.18 -0.37 2.96 -1.26 -1.06 118.68 125.01 1df3 s LEU 42 Ca 0.25 2.36 -0.17 0.00 -0.22 0.00 0.00 54.13 56.35 1df3 s LEU 42 Cb -0.16 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1df3 s LEU 42 CO 0.10 -0.43 -0.33 1.21 -1.32 0.00 0.00 176.35 175.57 1df3 n GLU 43 N 2.24 0.51 -3.76 1.98 0.00 -0.50 -4.05 120.64 117.07 1df3 n GLU 43 Ca 0.04 0.21 -0.11 0.00 0.00 0.00 0.00 57.16 57.30 1df3 n GLU 43 Cb 0.44 -1.39 -0.07 0.00 0.00 0.00 0.00 31.44 30.41 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 -2.82 0.86 -0.42 5.31 -2.07 -1.03 -3.11 119.66 116.38 1df3 s GLN 44 Ca -0.29 -0.64 -0.13 0.00 -1.82 0.00 0.00 55.36 52.48 1df3 s GLN 44 Cb 0.05 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1df3 s GLN 44 CO 0.42 -0.29 0.30 0.42 -1.32 0.00 0.00 175.29 174.82 1df3 s ILE 45 N -3.06 4.95 -0.53 3.63 1.01 -0.98 -1.51 121.20 124.72 1df3 s ILE 45 Ca -0.01 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 1df3 s ILE 45 Cb 0.01 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1df3 s ILE 45 CO -0.07 -0.40 0.80 -2.28 0.00 0.00 0.00 174.94 172.99 1df3 s HIS 46 N 1.60 2.91 -0.30 3.97 5.65 -0.51 -2.60 115.29 126.01 1df3 s HIS 46 Ca 0.04 -0.24 -0.25 0.00 0.25 0.00 0.00 55.06 54.86 1df3 s HIS 46 Cb -0.21 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.36 1df3 s HIS 46 CO 0.07 -1.21 0.86 0.08 -0.65 0.00 0.00 174.74 173.89 1df3 s VAL 47 N 3.36 4.74 -0.07 0.89 1.01 -1.26 -1.70 120.40 127.37 1df3 s VAL 47 Ca 0.24 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1df3 s VAL 47 Cb -0.15 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1df3 s VAL 47 CO 0.16 -0.27 -0.12 -0.76 0.00 0.00 0.00 175.10 174.11 1df3 s LEU 48 N 3.08 2.85 -1.23 3.92 1.43 -0.97 -5.02 118.68 122.74 1df3 s LEU 48 Ca 0.35 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 1df3 s LEU 48 Cb -0.14 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.53 1df3 s LEU 48 CO 0.12 0.31 1.70 -0.70 0.23 0.00 0.00 176.35 178.01 1df3 s GLU 49 N -0.51 3.81 0.00 1.70 2.12 -1.26 -1.77 118.70 122.79 1df3 s GLU 49 Ca 0.07 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1df3 s GLU 49 Cb -0.12 -5.48 0.00 0.00 0.26 0.00 0.00 34.13 28.79 1df3 s GLU 49 CO 0.02 -2.36 0.00 1.17 -0.54 0.00 0.00 175.26 173.55 1df3 n LYS 50 N 8.50 0.00 -3.81 4.30 3.00 -1.26 -5.14 118.16 123.74 1df3 n LYS 50 Ca 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.63 1df3 n LYS 50 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.36 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1df3 s SER 51 N 0.00 -0.04 -0.54 3.14 0.15 -0.73 -2.14 113.70 113.55 1df3 s SER 51 Ca 0.00 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 1df3 s SER 51 Cb 0.00 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1df3 s SER 51 CO 0.00 -0.07 1.02 -0.22 1.20 0.00 0.00 173.24 175.17 1df3 s LEU 52 N 0.52 3.87 -0.87 3.45 2.96 -0.49 -2.29 118.68 125.83 1df3 s LEU 52 Ca -0.04 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 1df3 s LEU 52 Cb -0.06 -3.04 0.14 0.00 0.50 0.00 0.00 46.19 43.73 1df3 s LEU 52 CO -0.02 -1.27 1.03 -0.69 -1.32 0.00 0.00 176.35 174.08 1df3 s VAL 53 N 4.23 4.85 -0.90 1.68 1.01 -0.69 -1.91 120.40 128.66 1df3 s VAL 53 Ca 0.36 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 1df3 s VAL 53 Cb -0.10 -4.70 0.07 0.00 0.00 0.00 0.00 36.38 31.64 1df3 s VAL 53 CO 0.23 -1.40 1.28 -0.76 0.00 0.00 0.00 175.10 174.45 1df3 s LEU 54 N 2.37 3.91 -0.91 3.92 1.43 -0.52 -1.43 118.68 127.45 1df3 s LEU 54 Ca 0.28 -1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 51.80 1df3 s LEU 54 Cb -0.08 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.70 1df3 s LEU 54 CO -0.07 -1.46 1.30 -0.54 0.23 0.00 0.00 176.35 175.81 1df3 s LYS 55 N 4.47 3.46 0.00 1.70 1.02 -0.57 -1.63 119.74 128.19 1df3 s LYS 55 Ca 0.38 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1df3 s LYS 55 Cb -0.05 -4.91 0.00 0.00 -0.52 0.00 0.00 37.83 32.36 1df3 s LYS 55 CO -0.03 -2.07 0.00 1.19 -0.92 0.00 0.00 175.35 173.52 1df3 n PHE 56 N 8.39 -2.09 -3.65 3.18 3.72 -0.18 -1.40 117.46 125.42 1df3 n PHE 56 Ca 0.21 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1df3 n PHE 56 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.46 -0.79 0.04 1.38 5.65 -0.22 -1.95 115.29 118.94 1df3 s HIS 57 Ca 0.00 1.82 0.06 0.00 0.25 0.00 0.00 55.06 57.19 1df3 s HIS 57 Cb 0.00 0.33 -0.02 0.00 -1.18 0.00 0.00 32.58 31.70 1df3 s HIS 57 CO 0.00 -0.38 -0.18 -0.08 -0.65 0.00 0.00 174.74 173.44 1df3 s THR 58 N 0.66 1.47 -0.36 0.89 -1.32 -0.73 -1.98 115.64 114.27 1df3 s THR 58 Ca -0.02 -1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1df3 s THR 58 Cb -0.05 -1.29 -0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1df3 s THR 58 CO -0.04 0.15 0.25 -0.69 -2.21 0.00 0.00 174.62 172.08 1df3 s VAL 59 N -0.79 5.19 -1.10 5.08 1.01 -1.26 -2.82 120.40 125.70 1df3 s VAL 59 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1df3 s VAL 59 Cb -0.08 -3.73 0.30 0.00 0.00 0.00 0.00 36.38 32.86 1df3 s VAL 59 CO 0.01 -0.09 1.31 -1.14 0.00 0.00 0.00 175.10 175.20 1df3 n ARG 60 N 5.10 4.04 -3.37 2.72 0.63 -0.52 -4.66 116.66 120.61 1df3 n ARG 60 Ca -0.12 -4.51 -0.12 0.00 -0.92 0.00 0.00 57.85 52.18 1df3 n ARG 60 Cb 0.49 -2.53 0.01 0.00 0.45 0.00 0.00 32.46 30.88 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 1.97 -6.56 0.00 6.15 8.00 -1.26 -3.14 116.55 121.71 1df3 n ASP 61 Ca 0.25 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1df3 n ASP 61 Cb 0.36 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 1df3 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1df3 n GLU 62 N -2.41 0.00 -3.15 -1.24 1.02 -1.26 -5.01 120.64 108.59 1df3 n GLU 62 Ca -0.11 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 1df3 n GLU 62 Cb 0.58 -1.98 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 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 4.05 -0.50 3.49 -6.30 -1.19 -5.03 118.70 113.22 1df3 s GLU 63 Ca 0.00 0.42 -0.24 0.00 -2.50 0.00 0.00 54.97 52.65 1df3 s GLU 63 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 34.13 30.50 1df3 s GLU 63 CO 0.00 -0.43 0.88 0.00 0.02 0.00 0.00 175.26 175.73 1df3 s SER 65 N 2.49 1.45 -0.01 0.00 0.01 -1.13 -5.06 113.70 111.46 1df3 s SER 65 Ca 0.31 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 1df3 s SER 65 Cb -0.12 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1df3 s SER 65 CO 0.22 -0.04 0.30 -1.61 0.41 0.00 0.00 173.24 172.51 1df3 s GLU 66 N -1.35 3.67 -0.33 12.44 8.01 -1.26 -1.77 118.70 138.11 1df3 s GLU 66 Ca -0.02 0.09 -0.01 0.00 0.01 0.00 0.00 54.97 55.04 1df3 s GLU 66 Cb -0.09 -3.12 0.07 0.00 -4.31 0.00 0.00 34.13 26.68 1df3 s GLU 66 CO 0.01 0.67 0.05 -1.17 0.01 0.00 0.00 175.26 174.83 1df3 s LEU 67 N -1.47 4.27 -0.27 1.80 0.20 -0.82 -4.91 118.68 117.48 1df3 s LEU 67 Ca 0.25 -1.53 -0.27 0.00 0.69 0.00 0.00 54.13 53.27 1df3 s LEU 67 Cb -0.14 -1.72 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 1df3 s LEU 67 CO 0.13 -0.33 0.98 -0.55 -0.29 0.00 0.00 176.35 176.29 1df3 s SER 68 N 1.35 6.94 -0.67 3.68 0.15 -1.26 -1.01 113.70 122.87 1df3 s SER 68 Ca -0.01 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 57.66 1df3 s SER 68 Cb -0.20 -2.50 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 1df3 s SER 68 CO -0.03 -0.70 0.56 -0.04 1.20 0.00 0.00 173.24 174.23 1df3 s MET 69 N 3.25 3.01 -0.78 5.44 -1.94 -0.65 -4.99 119.30 122.65 1df3 s MET 69 Ca 0.41 -2.26 -0.23 0.00 -1.71 0.00 0.00 55.69 51.89 1df3 s MET 69 Cb -0.14 -4.11 0.06 0.00 2.01 0.00 0.00 34.83 32.66 1df3 s MET 69 CO 0.10 -1.24 1.15 0.08 -0.01 0.00 0.00 175.02 175.10 1df3 s VAL 70 N 0.49 4.14 -0.58 -6.03 1.01 -1.26 -1.44 120.40 116.73 1df3 s VAL 70 Ca 0.14 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1df3 s VAL 70 Cb -0.18 -4.82 0.15 0.00 0.00 0.00 0.00 36.38 31.52 1df3 s VAL 70 CO -0.04 -1.66 0.49 0.00 0.00 0.00 0.00 175.10 173.89 1df3 s ALA 71 N 4.49 3.63 0.50 5.51 0.00 -0.80 -4.68 121.76 130.40 1df3 s ALA 71 Ca 0.31 -2.77 -0.20 0.00 0.00 0.00 0.00 51.96 49.31 1df3 s ALA 71 Cb -0.10 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1df3 s ALA 71 CO 0.06 -2.04 1.03 -0.51 0.00 0.00 0.00 175.76 174.30 1df3 s ASP 72 N 2.66 6.34 -0.61 0.00 1.11 -1.09 -1.40 116.67 123.68 1df3 s ASP 72 Ca 0.08 1.87 -0.27 0.00 0.18 0.00 0.00 52.55 54.42 1df3 s ASP 72 Cb -0.24 -2.55 -0.00 0.00 1.07 0.00 0.00 42.92 41.20 1df3 s ASP 72 CO -0.02 -0.78 1.63 -0.54 1.18 0.00 0.00 175.17 176.64 1df3 s LYS 73 N -3.38 2.94 -0.17 8.23 1.02 -0.91 -2.10 119.74 125.38 1df3 s LYS 73 Ca 0.66 0.43 -0.24 0.00 0.02 0.00 0.00 55.97 56.84 1df3 s LYS 73 Cb -0.15 -4.27 -0.21 0.00 -0.52 0.00 0.00 37.83 32.68 1df3 s LYS 73 CO 0.22 -2.38 0.47 0.00 -0.92 0.00 0.00 175.35 172.74 1df3 h THR 74 N 6.57 1.28 -2.92 2.17 1.03 -1.88 -3.42 112.91 115.74 1df3 h THR 74 Ca -0.27 -2.16 -0.61 0.00 -0.01 0.00 0.00 66.41 63.35 1df3 h THR 74 Cb 1.12 2.62 -0.41 0.00 -1.07 0.00 0.00 68.15 70.42 1df3 h THR 74 CO 1.21 0.43 -0.71 -1.61 -0.01 0.00 0.00 175.52 174.84 1df3 s GLU 75 N -2.25 1.78 0.28 0.00 2.02 -1.16 -5.09 118.70 114.28 1df3 s GLU 75 Ca -0.22 -2.69 0.00 0.00 0.02 0.00 0.00 54.97 52.08 1df3 s GLU 75 Cb 0.01 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1df3 s GLU 75 CO 0.60 -1.27 0.00 1.17 0.02 0.00 0.00 175.26 175.78 1df3 n LYS 76 N 2.64 -1.76 -1.78 1.61 3.00 -1.26 -3.59 118.16 117.02 1df3 n LYS 76 Ca 0.18 1.33 -0.29 0.00 -0.00 0.00 0.00 58.31 59.53 1df3 n LYS 76 Cb 0.38 -2.09 -0.04 0.00 0.00 0.00 0.00 35.03 33.27 1df3 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1df3 s ALA 77 N -2.83 1.53 0.00 3.14 0.00 -1.26 -3.30 121.76 119.04 1df3 s ALA 77 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1df3 s ALA 77 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1df3 s ALA 77 CO 0.00 -4.77 0.00 0.41 0.00 0.00 0.00 175.76 171.40 1df3 n GLY 78 N 6.31 0.19 3.54 0.00 0.00 -1.26 -3.43 105.19 110.54 1df3 n GLY 78 Ca 0.36 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 3.42 -0.05 1.61 2.56 -1.21 -4.15 118.70 120.89 1df3 s GLU 79 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.97 54.98 1df3 s GLU 79 Cb 0.00 -4.00 -0.02 0.00 2.00 0.00 0.00 34.13 32.11 1df3 s GLU 79 CO 0.00 -1.42 -0.24 0.71 -0.56 0.00 0.00 175.26 173.76 1df3 s TYR 80 N 4.01 2.45 -0.17 5.30 2.02 -0.97 -2.75 117.35 127.24 1df3 s TYR 80 Ca 0.34 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1df3 s TYR 80 Cb -0.11 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1df3 s TYR 80 CO 0.22 -0.10 -0.03 0.45 -1.57 0.00 0.00 175.55 174.52 1df3 s SER 81 N -0.37 4.70 -0.07 2.29 0.15 -0.89 -2.10 113.70 117.42 1df3 s SER 81 Ca 0.03 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1df3 s SER 81 Cb -0.12 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1df3 s SER 81 CO 0.02 0.12 -0.19 0.54 1.20 0.00 0.00 173.24 174.93 1df3 s VAL 82 N 0.63 1.63 -0.75 4.45 0.11 -1.02 -2.67 120.40 122.78 1df3 s VAL 82 Ca -0.02 -0.79 -0.25 0.00 -2.93 0.00 0.00 61.98 57.99 1df3 s VAL 82 Cb -0.14 -1.41 0.05 0.00 -1.53 0.00 0.00 36.38 33.35 1df3 s VAL 82 CO 0.02 0.46 1.18 -0.89 -3.33 0.00 0.00 175.10 172.54 1df3 s THR 83 N 0.25 4.00 -0.24 5.04 2.01 -1.26 -1.10 115.64 124.34 1df3 s THR 83 Ca -0.11 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1df3 s THR 83 Cb -0.15 -4.84 0.12 0.00 0.01 0.00 0.00 72.50 67.64 1df3 s THR 83 CO 0.05 -1.71 0.32 -0.47 -0.69 0.00 0.00 174.62 172.12 1df3 s TYR 84 N 4.92 -0.63 -1.55 4.92 5.04 -1.26 -4.89 117.35 123.91 1df3 s TYR 84 Ca 0.31 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1df3 s TYR 84 Cb -0.10 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.03 1df3 s TYR 84 CO 0.10 -0.74 0.00 -0.25 -1.34 0.00 0.00 175.55 173.31 1df3 n ASP 85 N 5.34 -5.03 0.00 4.32 8.00 -1.26 -4.63 116.55 123.29 1df3 n ASP 85 Ca -0.04 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1df3 n ASP 85 Cb 0.49 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 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 -0.98 0.64 2.99 0.44 0.00 -1.26 -4.72 105.19 102.30 1df3 n GLY 86 Ca -0.19 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.29 -0.83 1.61 5.36 -0.62 -4.64 117.98 117.57 1df3 s PHE 87 Ca 0.00 0.64 -0.16 0.00 -0.96 0.00 0.00 56.93 56.46 1df3 s PHE 87 Cb 0.00 0.03 0.19 0.00 -0.34 0.00 0.00 43.02 42.90 1df3 s PHE 87 CO 0.00 -1.00 0.84 -0.80 -1.46 0.00 0.00 175.22 172.81 1df3 s ASN 88 N 2.64 6.68 -0.57 6.13 -0.87 -0.26 -1.97 114.94 126.73 1df3 s ASN 88 Ca 0.10 -2.43 -0.20 0.00 -1.57 0.00 0.00 52.86 48.76 1df3 s ASN 88 Cb -0.12 -2.26 0.08 0.00 -0.02 0.00 0.00 41.25 38.93 1df3 s ASN 88 CO -0.28 -0.73 0.74 0.42 -2.57 0.00 0.00 177.10 174.68 1df3 s THR 89 N 0.97 4.72 -0.08 1.60 -4.23 -0.75 -2.43 115.64 115.44 1df3 s THR 89 Ca 0.21 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1df3 s THR 89 Cb -0.10 -4.46 -0.01 0.00 1.34 0.00 0.00 72.50 69.26 1df3 s THR 89 CO -0.08 -1.07 -0.20 0.72 -0.54 0.00 0.00 174.62 173.44 1df3 s PHE 90 N 3.00 2.58 0.10 3.99 -0.12 -0.89 -2.18 117.98 124.45 1df3 s PHE 90 Ca 0.16 -0.64 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 1df3 s PHE 90 Cb -0.20 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.48 1df3 s PHE 90 CO 0.10 -0.16 0.06 0.95 -0.05 0.00 0.00 175.22 176.11 1df3 s THR 91 N -0.11 4.31 -0.61 -4.49 -4.23 -0.95 -2.28 115.64 107.27 1df3 s THR 91 Ca -0.04 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.47 1df3 s THR 91 Cb -0.14 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 70.77 1df3 s THR 91 CO 0.04 0.08 0.48 -0.63 -0.54 0.00 0.00 174.62 174.04 1df3 s ILE 92 N -1.43 4.34 0.01 2.99 1.01 -1.26 -1.77 121.20 125.08 1df3 s ILE 92 Ca 0.28 -2.39 -0.21 0.00 0.00 0.00 0.00 60.65 58.33 1df3 s ILE 92 Cb -0.12 -3.80 -0.19 0.00 0.01 0.00 0.00 42.46 38.37 1df3 s ILE 92 CO 0.21 -0.87 1.19 1.55 0.00 0.00 0.00 174.94 177.02 1df3 h PRO 93 N 7.75 0.35 -3.14 2.79 0.13 -1.84 -2.75 132.00 135.30 1df3 h PRO 93 Ca -0.06 -0.28 -0.62 0.00 -0.87 0.00 0.00 66.00 64.17 1df3 h PRO 93 Cb 1.02 0.06 -0.41 0.00 0.13 0.00 0.00 31.00 31.80 1df3 h PRO 93 CO 0.78 0.92 -0.65 0.15 -0.23 0.00 0.00 178.00 178.96 1df3 s LYS 94 N -3.67 1.94 -0.31 0.86 3.01 -1.24 -3.67 119.74 116.66 1df3 s LYS 94 Ca -0.14 -2.72 -0.07 0.00 -1.01 0.00 0.00 55.97 52.02 1df3 s LYS 94 Cb 0.04 -3.04 0.02 0.00 -1.01 0.00 0.00 37.83 33.83 1df3 s LYS 94 CO 0.78 -1.20 0.11 -0.08 0.51 0.00 0.00 175.35 175.46 1df3 s THR 95 N -0.55 4.05 -0.60 2.17 -1.32 -0.86 -1.56 115.64 116.97 1df3 s THR 95 Ca 0.21 -0.78 0.24 0.00 -1.21 0.00 0.00 61.69 60.15 1df3 s THR 95 Cb -0.16 -3.15 0.04 0.00 -1.51 0.00 0.00 72.50 67.72 1df3 s THR 95 CO -0.07 -0.01 1.29 -0.78 -2.21 0.00 0.00 174.62 172.84 1df3 h ASP 96 N 8.26 0.00 -3.83 8.08 3.58 -1.42 -1.45 116.42 129.64 1df3 h ASP 96 Ca -0.29 -0.20 -0.28 0.00 0.42 0.00 0.00 57.03 56.67 1df3 h ASP 96 Cb 1.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1df3 h ASP 96 CO 0.61 0.10 -0.37 0.00 -2.88 0.00 0.00 179.24 176.70 1df3 n TYR 97 N -2.17 -1.40 0.03 0.28 4.11 -1.21 -4.47 117.16 112.32 1df3 n TYR 97 Ca 0.03 0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 1df3 n TYR 97 Cb 0.45 -3.01 0.00 0.00 -0.00 0.00 0.00 39.34 36.78 1df3 n TYR 97 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1df3 n ASP 98 N -1.89 -0.48 -0.06 9.48 2.03 -1.26 -4.96 116.55 119.41 1df3 n ASP 98 Ca -0.15 0.14 -0.07 0.00 0.52 0.00 0.00 54.79 55.23 1df3 n ASP 98 Cb 0.62 0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 41.72 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 -2.48 1.75 -4.31 1.67 3.02 -1.26 -4.67 115.26 108.98 1df3 n ASN 99 Ca 0.00 0.29 -0.16 0.00 -0.03 0.00 0.00 54.58 54.67 1df3 n ASN 99 Cb 0.00 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.42 1df3 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1df3 s PHE 100 N -2.70 1.50 -0.28 3.10 -0.12 -1.26 -2.10 117.98 116.13 1df3 s PHE 100 Ca -0.22 -1.16 -0.03 0.00 -0.05 0.00 0.00 56.93 55.46 1df3 s PHE 100 Cb 0.03 -0.88 0.16 0.00 -0.63 0.00 0.00 43.02 41.70 1df3 s PHE 100 CO 0.33 -0.32 0.53 -1.17 -0.05 0.00 0.00 175.22 174.54 1df3 s LEU 101 N -3.30 -1.08 -0.29 -1.99 0.20 -0.42 -1.41 118.68 110.40 1df3 s LEU 101 Ca 0.36 0.82 -0.16 0.00 0.69 0.00 0.00 54.13 55.84 1df3 s LEU 101 Cb 0.08 1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 47.64 1df3 s LEU 101 CO 0.13 -0.26 0.43 -0.04 -0.29 0.00 0.00 176.35 176.31 1df3 s MET 102 N 2.76 3.91 -0.16 1.98 -1.94 -0.60 -1.02 119.30 124.22 1df3 s MET 102 Ca 0.13 0.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1df3 s MET 102 Cb -0.14 -3.70 0.02 0.00 2.01 0.00 0.00 34.83 33.01 1df3 s MET 102 CO -0.19 -0.39 -0.21 0.00 -0.01 0.00 0.00 175.02 174.23 1df3 s ALA 103 N 2.17 2.31 -0.32 3.03 0.00 -0.95 -3.30 121.76 124.70 1df3 s ALA 103 Ca 0.17 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1df3 s ALA 103 Cb -0.16 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1df3 s ALA 103 CO 0.11 -0.23 0.38 -1.58 0.00 0.00 0.00 175.76 174.44 1df3 s HIS 104 N 1.11 3.21 -0.15 0.00 2.46 -0.73 -2.16 115.29 119.04 1df3 s HIS 104 Ca 0.00 0.12 -0.03 0.00 0.47 0.00 0.00 55.06 55.62 1df3 s HIS 104 Cb -0.14 -2.68 -0.03 0.00 -0.13 0.00 0.00 32.58 29.61 1df3 s HIS 104 CO -0.09 -0.39 -0.04 -1.17 -2.47 0.00 0.00 174.74 170.59 1df3 s LEU 105 N 2.08 3.25 -0.27 8.88 0.20 -0.83 -2.25 118.68 129.75 1df3 s LEU 105 Ca 0.14 -0.11 -0.02 0.00 0.69 0.00 0.00 54.13 54.83 1df3 s LEU 105 Cb -0.16 -1.78 0.04 0.00 -0.43 0.00 0.00 46.19 43.86 1df3 s LEU 105 CO 0.11 0.19 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.70 1df3 s ILE 106 N 0.23 2.89 -0.48 6.68 1.01 -0.93 -1.03 121.20 129.57 1df3 s ILE 106 Ca -0.03 -1.18 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 1df3 s ILE 106 Cb -0.14 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.89 1df3 s ILE 106 CO 0.03 0.08 0.39 0.21 0.00 0.00 0.00 174.94 175.64 1df3 s ASN 107 N 1.29 5.93 -0.25 3.58 2.47 -0.48 -1.82 114.94 125.66 1df3 s ASN 107 Ca -0.02 -1.68 -0.23 0.00 0.42 0.00 0.00 52.86 51.35 1df3 s ASN 107 Cb -0.18 -2.10 -0.01 0.00 -1.45 0.00 0.00 41.25 37.51 1df3 s ASN 107 CO -0.03 -0.71 0.76 -1.61 -3.72 0.00 0.00 177.10 171.79 1df3 s GLU 108 N 1.50 4.13 -0.38 0.43 8.01 -0.83 -2.31 118.70 129.26 1df3 s GLU 108 Ca 0.04 0.77 0.01 0.00 0.01 0.00 0.00 54.97 55.80 1df3 s GLU 108 Cb -0.26 -3.66 0.13 0.00 -4.31 0.00 0.00 34.13 26.02 1df3 s GLU 108 CO 0.02 -0.50 0.19 -1.59 0.01 0.00 0.00 175.26 173.39 1df3 s LYS 109 N 2.75 0.95 -0.93 1.61 -2.85 -0.76 -1.59 119.74 118.93 1df3 s LYS 109 Ca 0.32 -1.57 -0.08 0.00 -1.00 0.00 0.00 55.97 53.63 1df3 s LYS 109 Cb -0.15 -2.00 -0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1df3 s LYS 109 CO 0.08 -1.12 0.71 -3.47 0.10 0.00 0.00 175.35 171.66 1df3 n ASP 110 N 4.06 -5.94 -1.85 0.03 2.03 -1.26 -2.53 116.55 111.10 1df3 n ASP 110 Ca 0.06 -0.72 -0.19 0.00 0.52 0.00 0.00 54.79 54.45 1df3 n ASP 110 Cb 0.37 -3.45 -0.06 0.00 -0.72 0.00 0.00 41.12 37.26 1df3 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1df3 n GLY 111 N -1.69 1.03 2.69 0.27 0.00 -1.26 -4.98 105.19 101.24 1df3 n GLY 111 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.11 0.20 -0.10 1.61 2.02 -1.05 -5.15 118.70 112.13 1df3 s GLU 112 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 54.95 1df3 s GLU 112 Cb 0.00 -1.18 0.01 0.00 0.10 0.00 0.00 34.13 33.05 1df3 s GLU 112 CO 0.00 -0.81 -0.19 -0.08 0.02 0.00 0.00 175.26 174.20 1df3 s THR 113 N 2.26 1.69 -0.08 3.63 -1.32 -1.26 -1.82 115.64 118.72 1df3 s THR 113 Ca 0.07 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 1df3 s THR 113 Cb -0.15 -1.49 -0.02 0.00 -1.51 0.00 0.00 72.50 69.32 1df3 s THR 113 CO -0.21 0.48 -0.15 0.72 -2.21 0.00 0.00 174.62 173.24 1df3 s PHE 114 N 0.63 2.71 -0.21 9.09 -0.12 -0.98 -4.93 117.98 124.17 1df3 s PHE 114 Ca -0.14 -0.45 -0.20 0.00 -0.05 0.00 0.00 56.93 56.10 1df3 s PHE 114 Cb -0.16 -1.71 -0.03 0.00 -0.63 0.00 0.00 43.02 40.48 1df3 s PHE 114 CO 0.04 -0.04 0.58 1.14 -0.05 0.00 0.00 175.22 176.89 1df3 s GLN 115 N -0.19 4.18 -0.23 1.99 -2.07 -1.26 -1.39 119.66 120.68 1df3 s GLN 115 Ca -0.00 0.51 0.02 0.00 -1.82 0.00 0.00 55.36 54.06 1df3 s GLN 115 Cb -0.13 -3.59 0.05 0.00 -1.09 0.00 0.00 33.01 28.24 1df3 s GLN 115 CO 0.03 -0.24 -0.13 -1.17 -1.32 0.00 0.00 175.29 172.46 1df3 s LEU 116 N 1.93 2.91 -0.19 2.60 0.20 -0.20 -2.00 118.68 123.93 1df3 s LEU 116 Ca 0.26 -1.13 -0.04 0.00 0.69 0.00 0.00 54.13 53.92 1df3 s LEU 116 Cb -0.16 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1df3 s LEU 116 CO 0.10 -0.14 -0.04 -0.32 -0.29 0.00 0.00 176.35 175.65 1df3 s MET 117 N 1.20 3.47 -0.07 1.98 1.75 -0.86 -1.97 119.30 124.81 1df3 s MET 117 Ca -0.04 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.85 1df3 s MET 117 Cb -0.18 -2.96 -0.01 0.00 2.84 0.00 0.00 34.83 34.52 1df3 s MET 117 CO -0.08 -0.04 -0.23 0.20 -0.65 0.00 0.00 175.02 174.23 1df3 s GLY 118 N 1.07 1.34 -0.07 2.11 0.00 -0.92 -2.79 107.32 108.05 1df3 s GLY 118 Ca 0.01 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 43.48 1df3 s GLY 118 CO 0.00 -0.58 0.68 -2.27 0.00 0.00 0.00 173.10 170.93 1df3 s LEU 119 N -0.10 4.31 0.23 0.66 2.96 -0.19 -2.25 118.68 124.30 1df3 s LEU 119 Ca -0.05 1.15 0.08 0.00 -0.22 0.00 0.00 54.13 55.08 1df3 s LEU 119 Cb -0.14 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 1df3 s LEU 119 CO 0.04 -0.10 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.54 1df3 s TYR 120 N 0.77 1.81 -0.02 5.38 2.02 -0.18 -1.13 117.35 125.99 1df3 s TYR 120 Ca 0.36 -0.59 -0.25 0.00 -0.37 0.00 0.00 57.07 56.21 1df3 s TYR 120 Cb -0.17 -0.89 0.06 0.00 -0.40 0.00 0.00 41.96 40.55 1df3 s TYR 120 CO 0.17 0.36 0.56 0.20 -1.57 0.00 0.00 175.55 175.27 1df3 s GLY 121 N -3.36 -0.45 0.12 0.71 0.00 -0.72 -1.30 107.32 102.33 1df3 s GLY 121 Ca 0.25 0.95 -0.15 0.00 0.00 0.00 0.00 44.72 45.77 1df3 s GLY 121 CO 0.09 0.64 1.58 3.21 0.00 0.00 0.00 173.10 178.61 1df3 h ARG 122 N 3.18 0.69 -6.90 2.90 2.47 -1.62 -1.25 114.38 113.86 1df3 h ARG 122 Ca -0.28 -0.21 -0.48 0.00 -1.26 0.00 0.00 59.98 57.75 1df3 h ARG 122 Cb 1.16 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1df3 h ARG 122 CO 0.40 0.77 0.38 -1.21 0.56 0.00 0.00 179.97 180.86 1df3 s GLU 123 N -5.06 4.46 0.00 0.04 2.02 -1.26 -4.77 118.70 114.14 1df3 s GLU 123 Ca -0.13 1.43 0.14 0.00 0.02 0.00 0.00 54.97 56.44 1df3 s GLU 123 Cb 0.10 -2.76 0.73 0.00 0.10 0.00 0.00 34.13 32.30 1df3 s GLU 123 CO 0.79 0.15 1.40 -0.35 0.02 0.00 0.00 175.26 177.26 1df3 n PRO 124 N 0.43 0.20 -3.79 0.39 -0.04 -1.26 -4.60 135.00 126.33 1df3 n PRO 124 Ca 0.03 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1df3 n PRO 124 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1df3 n PRO 124 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1df3 s ASP 125 N -2.58 -0.21 0.43 3.54 -1.08 -1.26 -4.78 116.67 110.73 1df3 s ASP 125 Ca 0.14 0.41 0.08 0.00 -0.52 0.00 0.00 52.55 52.66 1df3 s ASP 125 Cb 0.10 0.40 -0.01 0.00 -1.46 0.00 0.00 42.92 41.96 1df3 s ASP 125 CO 0.22 -0.08 0.45 -0.76 0.52 0.00 0.00 175.17 175.51 1df3 s LEU 126 N 0.26 3.41 0.52 -1.34 1.43 -1.26 -5.09 118.68 116.61 1df3 s LEU 126 Ca -0.01 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.19 1df3 s LEU 126 Cb -0.03 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 1df3 s LEU 126 CO -0.01 -0.74 1.09 -0.55 0.23 0.00 0.00 176.35 176.38 1df3 s SER 127 N -4.22 5.96 0.37 2.29 0.15 -1.26 -4.95 113.70 112.04 1df3 s SER 127 Ca 0.50 2.07 0.07 0.00 0.70 0.00 0.00 55.95 59.29 1df3 s SER 127 Cb -0.05 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.46 1df3 s SER 127 CO 0.29 -1.05 1.96 0.77 1.20 0.00 0.00 173.24 176.41 1df3 h SER 128 N 1.31 0.64 0.27 5.45 4.64 -2.00 -2.75 113.55 121.11 1df3 h SER 128 Ca -0.50 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 1df3 h SER 128 Cb 1.25 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1df3 h SER 128 CO 0.58 0.41 -0.41 0.44 -0.87 0.00 0.00 176.83 176.98 1df3 h ASP 129 N 0.72 0.20 -0.10 4.97 5.19 -1.99 -1.49 116.42 123.92 1df3 h ASP 129 Ca 0.31 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1df3 h ASP 129 Cb 0.28 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1df3 h ASP 129 CO -0.10 0.59 0.01 0.40 -3.12 0.00 0.00 179.24 177.01 1df3 h ILE 130 N 0.16 1.23 -0.95 0.35 2.04 -1.91 -2.98 117.51 115.45 1df3 h ILE 130 Ca 0.01 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.26 1df3 h ILE 130 Cb 0.79 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1df3 h ILE 130 CO 0.06 0.21 0.60 0.11 0.00 0.00 0.00 178.15 179.13 1df3 h LYS 131 N -0.08 0.89 -0.91 2.37 1.57 -1.47 -1.81 116.57 117.13 1df3 h LYS 131 Ca 0.03 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1df3 h LYS 131 Cb 0.32 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1df3 h LYS 131 CO 0.00 0.59 0.55 0.93 -0.57 0.00 0.00 179.45 180.95 1df3 h GLU 132 N 0.92 0.85 -0.43 3.15 5.08 -1.33 -1.48 114.58 121.34 1df3 h GLU 132 Ca 0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1df3 h GLU 132 Cb 0.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1df3 h GLU 132 CO -0.22 0.56 0.22 0.00 -1.00 0.00 0.00 179.01 178.58 1df3 h ARG 133 N 0.88 0.61 -0.24 2.33 2.47 -1.18 -2.28 114.38 116.97 1df3 h ARG 133 Ca 0.45 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 59.15 1df3 h ARG 133 Cb 0.44 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.58 1df3 h ARG 133 CO -0.26 0.51 -0.20 0.35 0.56 0.00 0.00 179.97 180.92 1df3 h PHE 134 N 0.56 -0.52 -0.49 3.04 3.57 -1.33 -2.08 116.94 119.69 1df3 h PHE 134 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1df3 h PHE 134 Cb 0.09 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1df3 h PHE 134 CO -0.02 -0.28 0.15 0.00 -2.23 0.00 0.00 178.31 175.94 1df3 h ALA 135 N 0.90 1.36 -0.49 2.41 0.00 -1.22 0.30 119.26 122.51 1df3 h ALA 135 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1df3 h ALA 135 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1df3 h ALA 135 CO -0.36 0.47 0.23 1.96 0.00 0.00 0.00 179.25 181.55 1df3 h GLN 136 N 0.70 0.72 -0.59 0.00 1.08 -1.42 -2.58 115.11 113.02 1df3 h GLN 136 Ca 0.16 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1df3 h GLN 136 Cb 0.21 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1df3 h GLN 136 CO -0.01 0.61 0.27 1.25 -0.95 0.00 0.00 178.83 180.01 1df3 h LEU 137 N 0.65 0.79 0.04 1.46 5.85 -1.11 -2.22 115.31 120.78 1df3 h LEU 137 Ca 0.17 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1df3 h LEU 137 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1df3 h LEU 137 CO -0.02 0.71 -0.09 0.00 -0.34 0.00 0.00 178.44 178.71 1df3 h GLU 139 N -0.17 0.49 -0.74 0.00 4.22 -1.52 -0.83 114.58 116.03 1df3 h GLU 139 Ca 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1df3 h GLU 139 Cb 0.19 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1df3 h GLU 139 CO -0.06 0.32 0.44 1.49 -2.18 0.00 0.00 179.01 179.03 1df3 h GLU 140 N 0.50 1.02 0.04 1.92 4.57 -1.26 -3.27 114.58 118.10 1df3 h GLU 140 Ca 0.40 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1df3 h GLU 140 Cb 0.55 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1df3 h GLU 140 CO -0.36 0.73 -0.02 0.45 -1.18 0.00 0.00 179.01 178.63 1df3 h HIS 141 N 1.02 -0.05 0.00 0.92 3.86 -1.34 -3.49 115.15 116.07 1df3 h HIS 141 Ca 0.27 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1df3 h HIS 141 Cb -0.02 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1df3 h HIS 141 CO -0.01 0.50 0.00 0.41 0.86 0.00 0.00 177.93 179.69 1df3 n GLY 142 N 0.46 0.00 3.23 2.45 0.00 -0.46 -5.13 105.19 105.74 1df3 n GLY 142 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.44 0.58 -0.61 1.01 -0.44 -4.95 121.20 119.23 1df3 s ILE 143 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 1df3 s ILE 143 Cb 0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1df3 s ILE 143 CO 0.00 0.53 1.11 -0.76 0.00 0.00 0.00 174.94 175.82 1df3 s LEU 144 N 0.86 3.63 0.47 2.97 1.43 -1.26 -3.69 118.68 123.09 1df3 s LEU 144 Ca -0.05 2.08 0.21 0.00 -1.03 0.00 0.00 54.13 55.34 1df3 s LEU 144 Cb -0.15 -4.57 1.15 0.00 0.03 0.00 0.00 46.19 42.65 1df3 s LEU 144 CO -0.02 -1.32 1.98 0.03 0.23 0.00 0.00 176.35 177.26 1df3 h ARG 145 N 0.81 0.00 -0.44 1.70 3.08 -1.99 -3.18 114.38 114.37 1df3 h ARG 145 Ca -0.49 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.61 1df3 h ARG 145 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1df3 h ARG 145 CO 0.56 0.20 0.29 1.05 -1.07 0.00 0.00 179.97 181.00 1df3 h GLU 146 N 0.00 0.40 0.00 0.04 -0.00 -2.02 -2.94 114.58 110.07 1df3 h GLU 146 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1df3 h GLU 146 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 1df3 h GLU 146 CO 0.03 0.27 0.00 -2.95 -0.00 0.00 0.00 179.01 176.35 1df3 h ASN 147 N 0.42 0.00 -2.11 3.06 7.08 -1.89 -3.46 115.58 118.68 1df3 h ASN 147 Ca 0.18 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.89 1df3 h ASN 147 Cb 0.21 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.39 1df3 h ASN 147 CO -0.04 0.00 1.21 -0.63 -2.08 0.00 0.00 177.43 175.88 1df3 s ILE 148 N -3.13 3.54 -0.21 6.14 1.01 -1.11 -4.57 121.20 122.85 1df3 s ILE 148 Ca 0.10 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 1df3 s ILE 148 Cb 0.11 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1df3 s ILE 148 CO 0.58 -1.38 0.16 -0.63 0.00 0.00 0.00 174.94 173.68 1df3 s ILE 149 N 7.46 5.38 -0.98 2.92 1.01 -1.26 -5.05 121.20 130.68 1df3 s ILE 149 Ca 0.52 0.22 -0.17 0.00 0.00 0.00 0.00 60.65 61.22 1df3 s ILE 149 Cb -0.10 -3.50 0.14 0.00 0.01 0.00 0.00 42.46 39.01 1df3 s ILE 149 CO 0.17 0.39 1.18 -1.81 0.00 0.00 0.00 174.94 174.87 1df3 s ASP 150 N 0.68 6.73 -1.18 3.58 1.01 -1.26 -3.00 116.67 123.23 1df3 s ASP 150 Ca 0.09 -2.28 -0.17 0.00 0.71 0.00 0.00 52.55 50.90 1df3 s ASP 150 Cb -0.12 -2.39 0.11 0.00 1.01 0.00 0.00 42.92 41.53 1df3 s ASP 150 CO 0.01 -0.97 1.51 -0.76 0.21 0.00 0.00 175.17 175.17 1df3 s LEU 151 N 2.33 4.39 -0.07 1.23 2.01 -1.12 -4.69 118.68 122.76 1df3 s LEU 151 Ca 0.34 -2.45 0.10 0.00 0.01 0.00 0.00 54.13 52.14 1df3 s LEU 151 Cb -0.05 -2.49 0.16 0.00 0.01 0.00 0.00 46.19 43.82 1df3 s LEU 151 CO -0.08 -1.05 1.05 -1.54 1.01 0.00 0.00 176.35 175.74 1df3 n SER 152 N 7.24 1.84 0.00 2.29 3.41 -1.15 -3.50 113.62 123.75 1df3 n SER 152 Ca 0.39 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1df3 n SER 152 Cb 0.46 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1df3 n SER 152 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1df3 n ASN 153 N -0.92 0.00 -0.27 4.04 6.94 -1.26 -4.73 115.26 119.06 1df3 n ASN 153 Ca 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.63 1df3 n ASN 153 Cb 0.53 0.02 0.04 0.00 -2.36 0.00 0.00 39.78 38.01 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1df3 h ALA 154 N 0.00 0.18 -2.18 -2.53 0.00 -1.90 -3.06 119.26 109.77 1df3 h ALA 154 Ca 0.00 0.24 -0.55 0.00 0.00 0.00 0.00 54.91 54.60 1df3 h ALA 154 Cb 0.00 0.79 -0.41 0.00 0.00 0.00 0.00 17.79 18.16 1df3 h ALA 154 CO 0.00 -0.58 -0.84 -1.71 0.00 0.00 0.00 179.25 176.12 1df3 n ASN 155 N -5.47 3.06 -4.45 0.00 5.15 -1.26 -5.05 115.26 107.24 1df3 n ASN 155 Ca 0.08 -3.41 -0.34 0.00 -0.60 0.00 0.00 54.58 50.31 1df3 n ASN 155 Cb 0.38 -0.59 -0.13 0.00 -0.53 0.00 0.00 39.78 38.92 1df3 n ASN 155 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1df3 s ARG 156 N -2.99 3.59 0.40 1.20 3.52 -1.16 -4.72 118.95 118.80 1df3 s ARG 156 Ca 0.45 -0.55 0.15 0.00 -0.13 0.00 0.00 55.73 55.65 1df3 s ARG 156 Cb 0.29 -2.93 0.85 0.00 -1.56 0.00 0.00 34.95 31.61 1df3 s ARG 156 CO -0.11 0.14 1.87 0.00 -0.81 0.00 0.00 175.30 176.39 1df3 h LEU 158 N 0.00 -0.02 -6.84 0.00 3.38 -1.98 -3.47 115.31 106.38 1df3 h LEU 158 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1df3 h LEU 158 Cb 0.59 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.07 1df3 h LEU 158 CO 0.04 -0.00 -0.37 -1.58 0.09 0.00 0.00 178.44 176.61 1df3 s GLN 159 N -2.07 0.37 -1.30 1.13 0.74 -1.26 -5.08 119.66 112.19 1df3 s GLN 159 Ca -0.00 0.93 -0.09 0.00 0.05 0.00 0.00 55.36 56.25 1df3 s GLN 159 Cb 0.00 0.17 0.15 0.00 1.10 0.00 0.00 33.01 34.44 1df3 s GLN 159 CO 0.01 -0.38 1.97 0.00 -0.55 0.00 0.00 175.29 176.33 1df3 n ALA 160 N 5.39 5.60 -3.65 1.58 0.00 -1.26 -4.72 120.51 123.44 1df3 n ALA 160 Ca -0.07 -4.27 -0.07 0.00 0.00 0.00 0.00 53.44 49.04 1df3 n ALA 160 Cb 0.50 -2.97 -0.07 0.00 0.00 0.00 0.00 19.45 16.90 1df3 n ALA 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1df3 s ARG 161 N 0.28 0.59 0.00 0.00 3.00 -1.26 -4.96 118.95 116.59 1df3 s ARG 161 Ca 0.42 1.17 0.30 0.00 -1.00 0.00 0.00 55.73 56.62 1df3 s ARG 161 Cb 0.11 0.27 1.41 0.00 0.00 0.00 0.00 34.95 36.74 1df3 s ARG 161 CO -0.01 -0.17 1.95 0.39 0.00 0.00 0.00 175.30 177.46