#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 3.82 -0.05 3.49 8.01 -1.25 -4.29 118.70 128.42 1df3 s GLU 2 Ca 0.00 1.26 0.06 0.00 0.01 0.00 0.00 54.97 56.30 1df3 s GLU 2 Cb 0.00 -3.94 -0.01 0.00 -4.31 0.00 0.00 34.13 25.87 1df3 s GLU 2 CO 0.00 -1.24 -0.23 0.00 0.01 0.00 0.00 175.26 173.80 1df3 s ALA 3 N 4.75 2.26 -0.19 5.21 0.00 -0.94 -4.81 121.76 128.03 1df3 s ALA 3 Ca 0.60 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1df3 s ALA 3 Cb -0.18 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1df3 s ALA 3 CO 0.26 0.45 0.49 -1.12 0.00 0.00 0.00 175.76 175.83 1df3 s SER 4 N -0.29 6.55 0.43 0.00 0.01 -1.26 -2.01 113.70 117.13 1df3 s SER 4 Ca 0.01 0.66 0.11 0.00 1.31 0.00 0.00 55.95 58.03 1df3 s SER 4 Cb -0.13 -2.28 0.94 0.00 0.21 0.00 0.00 66.02 64.77 1df3 s SER 4 CO 0.02 -0.13 2.02 0.77 0.41 0.00 0.00 173.24 176.34 1df3 h SER 5 N 7.34 0.23 0.20 2.44 4.64 -1.71 -3.14 113.55 123.55 1df3 h SER 5 Ca -0.35 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1df3 h SER 5 Cb 1.16 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1df3 h SER 5 CO 0.74 0.26 -0.10 0.71 -0.87 0.00 0.00 176.83 177.57 1df3 h THR 6 N 0.26 0.70 -1.54 2.95 1.35 -1.77 -3.35 112.91 111.52 1df3 h THR 6 Ca 0.06 -0.38 -0.45 0.00 -0.55 0.00 0.00 66.41 65.09 1df3 h THR 6 Cb 0.14 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1df3 h THR 6 CO 0.00 0.09 -0.32 -0.83 -0.25 0.00 0.00 175.52 174.22 1df3 s GLY 7 N -4.16 1.94 -1.15 5.82 0.00 -1.19 -4.47 107.32 104.12 1df3 s GLY 7 Ca -0.04 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 42.80 1df3 s GLY 7 CO 0.60 -1.54 1.50 -1.60 0.00 0.00 0.00 173.10 172.06 1df3 s ARG 8 N -4.24 3.85 0.00 2.90 3.52 -1.26 -4.10 118.95 119.61 1df3 s ARG 8 Ca 0.51 -1.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 1df3 s ARG 8 Cb -0.08 -5.29 0.00 0.00 -1.56 0.00 0.00 34.95 28.03 1df3 s ARG 8 CO 0.31 -2.06 0.00 0.27 -0.81 0.00 0.00 175.30 173.01 1df3 n ASN 9 N 7.60 0.00 -4.71 -2.12 0.23 -1.26 -5.14 115.26 109.86 1df3 n ASN 9 Ca 0.38 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 54.01 1df3 n ASN 9 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1df3 s PHE 10 N -0.99 2.94 -0.30 -2.53 5.36 -1.25 -4.97 117.98 116.24 1df3 s PHE 10 Ca 0.00 0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.50 1df3 s PHE 10 Cb 0.00 -3.87 -0.02 0.00 -0.34 0.00 0.00 43.02 38.79 1df3 s PHE 10 CO 0.00 -3.24 0.17 1.21 -1.46 0.00 0.00 175.22 171.91 1df3 s ASN 11 N 1.48 5.74 0.21 6.13 2.47 -1.26 -5.03 114.94 124.69 1df3 s ASN 11 Ca 0.69 -0.33 -0.09 0.00 0.42 0.00 0.00 52.86 53.56 1df3 s ASN 11 Cb -0.41 -2.06 0.26 0.00 -1.45 0.00 0.00 41.25 37.60 1df3 s ASN 11 CO 0.31 -0.15 1.81 -0.37 -3.72 0.00 0.00 177.10 174.98 1df3 h VAL 12 N 5.53 0.97 -0.46 -5.21 -1.51 -2.01 -3.23 116.25 110.33 1df3 h VAL 12 Ca -0.33 -0.24 0.08 0.00 -1.23 0.00 0.00 66.70 64.97 1df3 h VAL 12 Cb 1.16 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1df3 h VAL 12 CO 0.60 0.13 0.31 -0.33 -1.23 0.00 0.00 177.57 177.05 1df3 h GLU 13 N 0.71 0.26 -0.01 5.19 5.08 -1.97 -2.60 114.58 121.24 1df3 h GLU 13 Ca 0.31 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1df3 h GLU 13 Cb 0.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1df3 h GLU 13 CO -0.19 0.17 -0.11 0.87 -1.00 0.00 0.00 179.01 178.75 1df3 h LYS 14 N 0.27 0.02 -0.91 2.33 1.57 -1.99 -3.08 116.57 114.77 1df3 h LYS 14 Ca 0.21 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1df3 h LYS 14 Cb 0.47 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1df3 h LYS 14 CO -0.04 0.13 0.06 0.44 -0.57 0.00 0.00 179.45 179.47 1df3 n ILE 15 N -4.40 1.10 -3.23 1.86 -5.35 -0.98 -4.84 119.36 103.53 1df3 n ILE 15 Ca -0.03 -0.48 -0.43 0.00 -0.27 0.00 0.00 62.75 61.55 1df3 n ILE 15 Cb 0.19 -0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 37.46 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 -0.07 6.23 0.00 7.28 2.47 -1.17 -4.66 114.94 125.02 1df3 s ASN 16 Ca 0.17 -0.73 0.00 0.00 0.42 0.00 0.00 52.86 52.72 1df3 s ASN 16 Cb 0.13 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1df3 s ASN 16 CO 0.04 -0.73 0.00 0.61 -3.72 0.00 0.00 177.10 173.31 1df3 n GLY 17 N 5.12 -0.12 3.70 1.21 0.00 -1.10 -5.03 105.19 108.97 1df3 n GLY 17 Ca -0.06 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1df3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 18 N -2.00 4.43 0.05 1.61 8.01 -1.26 -1.69 118.70 127.85 1df3 s GLU 18 Ca 0.00 1.07 0.04 0.00 0.01 0.00 0.00 54.97 56.09 1df3 s GLU 18 Cb 0.00 -3.49 -0.02 0.00 -4.31 0.00 0.00 34.13 26.31 1df3 s GLU 18 CO 0.00 -0.08 -0.11 -1.58 0.01 0.00 0.00 175.26 173.49 1df3 s TRP 19 N 1.26 0.98 0.03 1.61 0.52 -0.98 -4.52 118.94 117.83 1df3 s TRP 19 Ca 0.42 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 56.14 1df3 s TRP 19 Cb -0.18 -0.57 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1df3 s TRP 19 CO 0.19 -0.00 -0.12 -1.58 0.02 0.00 0.00 176.95 175.46 1df3 s HIS 20 N -1.18 1.08 -0.36 -1.98 2.46 -0.32 -3.56 115.29 111.43 1df3 s HIS 20 Ca -0.04 -0.33 -0.29 0.00 0.47 0.00 0.00 55.06 54.87 1df3 s HIS 20 Cb -0.09 -0.65 0.01 0.00 -0.13 0.00 0.00 32.58 31.72 1df3 s HIS 20 CO 0.01 0.01 1.21 0.99 -2.47 0.00 0.00 174.74 174.50 1df3 s THR 21 N -0.77 4.23 -0.20 0.89 2.01 -0.57 -1.87 115.64 119.35 1df3 s THR 21 Ca 0.01 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.20 1df3 s THR 21 Cb -0.07 -4.34 -0.12 0.00 0.01 0.00 0.00 72.50 67.98 1df3 s THR 21 CO 0.01 -0.64 -0.06 -0.38 -0.69 0.00 0.00 174.62 172.86 1df3 n ILE 22 N 6.37 1.50 -4.11 1.82 2.08 -0.54 -2.86 119.36 123.63 1df3 n ILE 22 Ca 0.14 -0.02 -0.18 0.00 0.56 0.00 0.00 62.75 63.25 1df3 n ILE 22 Cb 0.47 -2.13 -0.16 0.00 -0.75 0.00 0.00 39.64 37.07 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 -2.42 0.41 -0.17 1.39 1.01 -1.01 -1.72 121.20 118.69 1df3 s ILE 23 Ca -0.27 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1df3 s ILE 23 Cb 0.06 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.13 1df3 s ILE 23 CO 0.46 0.18 -0.16 -0.22 0.00 0.00 0.00 174.94 175.20 1df3 s LEU 24 N 0.69 2.04 -0.03 2.97 2.96 -0.91 -1.41 118.68 124.98 1df3 s LEU 24 Ca -0.08 -0.66 -0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1df3 s LEU 24 Cb -0.11 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1df3 s LEU 24 CO -0.00 -0.06 0.02 0.00 -1.32 0.00 0.00 176.35 174.99 1df3 s ALA 25 N 1.38 0.27 -0.01 5.97 0.00 -1.22 -3.44 121.76 124.71 1df3 s ALA 25 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1df3 s ALA 25 Cb -0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1df3 s ALA 25 CO -0.11 -0.19 -0.12 0.45 0.00 0.00 0.00 175.76 175.79 1df3 s SER 26 N 1.32 1.40 0.19 0.00 0.15 -1.26 -1.88 113.70 113.63 1df3 s SER 26 Ca -0.06 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 1df3 s SER 26 Cb -0.13 -0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.12 1df3 s SER 26 CO -0.03 0.14 1.83 -0.78 1.20 0.00 0.00 173.24 175.60 1df3 h ASP 27 N 5.92 0.58 0.41 5.45 3.58 -1.67 -2.42 116.42 128.27 1df3 h ASP 27 Ca -0.33 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1df3 h ASP 27 Cb 1.17 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1df3 h ASP 27 CO 0.49 0.41 -0.10 0.11 -2.88 0.00 0.00 179.24 177.27 1df3 h LYS 28 N 0.71 0.00 0.00 0.28 1.79 -1.97 -3.48 116.57 113.89 1df3 h LYS 28 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1df3 h LYS 28 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1df3 h LYS 28 CO -0.09 0.10 0.00 0.54 -1.08 0.00 0.00 179.45 178.92 1df3 n ARG 29 N -3.54 0.00 0.03 3.15 3.00 -0.91 -4.65 116.66 113.74 1df3 n ARG 29 Ca -0.02 0.00 0.22 0.00 -0.01 0.00 0.00 57.85 58.05 1df3 n ARG 29 Cb 0.23 0.00 0.72 0.00 0.00 0.00 0.00 32.46 33.42 1df3 n ARG 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1df3 h GLU 30 N 0.00 0.00 -0.21 5.56 4.11 -1.93 -2.83 114.58 119.28 1df3 h GLU 30 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1df3 h GLU 30 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1df3 h GLU 30 CO 0.00 0.00 0.08 0.87 0.07 0.00 0.00 179.01 180.03 1df3 h LYS 31 N 0.00 0.17 0.00 1.06 1.79 -1.92 -3.26 116.57 114.41 1df3 h LYS 31 Ca 0.25 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1df3 h LYS 31 Cb 1.27 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1df3 h LYS 31 CO -0.00 0.11 -0.35 0.44 -1.08 0.00 0.00 179.45 178.57 1df3 n ILE 32 N -5.03 0.47 -1.24 1.86 -6.64 -1.08 -2.12 119.36 105.58 1df3 n ILE 32 Ca -0.03 -0.28 -0.29 0.00 -1.77 0.00 0.00 62.75 60.38 1df3 n ILE 32 Cb 0.07 -0.33 0.20 0.00 -1.44 0.00 0.00 39.64 38.14 1df3 n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1df3 s GLU 33 N -3.14 -0.19 -0.36 6.28 2.02 -1.18 -4.79 118.70 117.34 1df3 s GLU 33 Ca 0.08 0.15 -0.44 0.00 0.02 0.00 0.00 54.97 54.79 1df3 s GLU 33 Cb 0.13 -1.70 -0.18 0.00 0.10 0.00 0.00 34.13 32.48 1df3 s GLU 33 CO 0.67 -3.07 1.61 -3.47 0.02 0.00 0.00 175.26 171.02 1df3 n ASP 34 N -4.35 1.59 -3.63 -0.19 -0.08 -1.26 -1.98 116.55 106.65 1df3 n ASP 34 Ca 0.09 1.14 -0.21 0.00 -1.51 0.00 0.00 54.79 54.30 1df3 n ASP 34 Cb 0.59 -0.99 0.06 0.00 2.34 0.00 0.00 41.12 43.11 1df3 n ASP 34 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1df3 n ASN 35 N 4.29 -2.60 -4.99 1.67 3.02 -1.26 -5.02 115.26 110.36 1df3 n ASN 35 Ca 0.28 -0.71 -0.18 0.00 -0.03 0.00 0.00 54.58 53.93 1df3 n ASN 35 Cb 0.03 -4.50 -0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1df3 s GLY 36 N -4.09 1.72 0.15 7.41 0.00 -0.84 -5.07 107.32 106.61 1df3 s GLY 36 Ca 0.17 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.24 1df3 s GLY 36 CO 0.78 -1.42 1.58 -0.57 0.00 0.00 0.00 173.10 173.47 1df3 h ASN 37 N 0.82 0.94 -2.32 1.64 -1.24 -1.73 -3.21 115.58 110.47 1df3 h ASN 37 Ca -0.44 -0.35 -0.65 0.00 0.71 0.00 0.00 56.30 55.57 1df3 h ASN 37 Cb 1.26 -0.26 -0.38 0.00 0.73 0.00 0.00 38.32 39.68 1df3 h ASN 37 CO 0.50 1.07 -0.20 0.49 -1.29 0.00 0.00 177.43 178.00 1df3 n PHE 38 N -4.23 3.53 -3.68 0.67 3.01 -0.90 -5.00 117.46 110.87 1df3 n PHE 38 Ca 0.01 -3.67 -0.38 0.00 1.01 0.00 0.00 57.45 54.42 1df3 n PHE 38 Cb 0.38 -0.71 -0.10 0.00 -0.01 0.00 0.00 39.48 39.04 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 -3.22 2.26 -0.07 -1.08 3.52 -1.14 -3.94 118.95 115.29 1df3 s ARG 39 Ca 0.43 -1.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.27 1df3 s ARG 39 Cb 0.20 -3.72 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1df3 s ARG 39 CO -0.07 -1.09 0.01 -0.51 -0.81 0.00 0.00 175.30 172.83 1df3 s LEU 40 N 1.26 0.54 0.44 -0.88 1.43 -1.26 -4.74 118.68 115.47 1df3 s LEU 40 Ca 0.06 -0.06 0.24 0.00 -1.03 0.00 0.00 54.13 53.34 1df3 s LEU 40 Cb -0.24 -0.39 0.48 0.00 0.03 0.00 0.00 46.19 46.06 1df3 s LEU 40 CO -0.02 -0.20 1.65 -0.26 0.23 0.00 0.00 176.35 177.76 1df3 h PHE 41 N 8.31 0.00 -3.41 0.29 0.04 -1.61 -3.45 116.94 117.11 1df3 h PHE 41 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1df3 h PHE 41 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1df3 h PHE 41 CO 0.48 0.05 -0.61 -0.11 -0.60 0.00 0.00 178.31 177.52 1df3 n LEU 42 N -3.12 -4.76 -0.10 1.54 7.94 -1.26 -1.52 117.00 115.73 1df3 n LEU 42 Ca 0.03 1.95 -0.14 0.00 -1.11 0.00 0.00 56.01 56.74 1df3 n LEU 42 Cb 0.51 -2.39 -0.05 0.00 0.53 0.00 0.00 43.42 42.02 1df3 n LEU 42 CO 0.34 -1.47 -0.78 1.21 -1.11 0.00 0.00 177.39 175.58 1df3 n GLU 43 N 1.18 0.53 -3.57 1.96 2.13 -0.61 -4.24 120.64 118.03 1df3 n GLU 43 Ca 0.00 0.30 -0.11 0.00 0.66 0.00 0.00 57.16 58.01 1df3 n GLU 43 Cb 0.00 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.16 1df3 n GLU 43 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1df3 s GLN 44 N -2.68 1.12 -0.35 5.31 -2.07 -1.03 -2.32 119.66 117.64 1df3 s GLN 44 Ca -0.29 -0.59 -0.04 0.00 -1.82 0.00 0.00 55.36 52.63 1df3 s GLN 44 Cb 0.06 0.50 0.07 0.00 -1.09 0.00 0.00 33.01 32.55 1df3 s GLN 44 CO 0.42 -0.45 0.09 0.42 -1.32 0.00 0.00 175.29 174.45 1df3 s ILE 45 N -3.64 3.32 -0.26 3.63 1.01 -0.68 -1.17 121.20 123.41 1df3 s ILE 45 Ca 0.01 -1.52 -0.22 0.00 0.00 0.00 0.00 60.65 58.93 1df3 s ILE 45 Cb 0.01 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1df3 s ILE 45 CO -0.11 -0.31 0.72 -2.28 0.00 0.00 0.00 174.94 172.95 1df3 s HIS 46 N 1.26 3.28 -0.33 3.97 2.46 -0.58 -2.70 115.29 122.65 1df3 s HIS 46 Ca -0.00 0.91 -0.15 0.00 0.47 0.00 0.00 55.06 56.29 1df3 s HIS 46 Cb -0.21 -2.96 -0.02 0.00 -0.13 0.00 0.00 32.58 29.26 1df3 s HIS 46 CO -0.01 -0.39 0.36 0.08 -2.47 0.00 0.00 174.74 172.31 1df3 s VAL 47 N 2.68 5.17 -0.04 0.89 1.01 -1.26 -1.31 120.40 127.54 1df3 s VAL 47 Ca 0.30 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.48 1df3 s VAL 47 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1df3 s VAL 47 CO 0.09 -0.03 -0.17 -0.76 0.00 0.00 0.00 175.10 174.23 1df3 s LEU 48 N 2.02 2.58 -1.26 3.92 1.43 -1.13 -5.03 118.68 121.21 1df3 s LEU 48 Ca 0.12 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 1df3 s LEU 48 Cb -0.16 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1df3 s LEU 48 CO 0.11 0.34 1.73 -0.70 0.23 0.00 0.00 176.35 178.06 1df3 s GLU 49 N -0.74 3.81 0.00 1.70 2.12 -1.26 -2.11 118.70 122.22 1df3 s GLU 49 Ca 0.11 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 53.61 1df3 s GLU 49 Cb -0.10 -5.49 0.00 0.00 0.26 0.00 0.00 34.13 28.79 1df3 s GLU 49 CO 0.00 -2.42 0.00 0.36 -0.54 0.00 0.00 175.26 172.67 1df3 n LYS 50 N 8.44 0.00 -3.64 4.30 2.85 -1.26 -5.15 118.16 123.70 1df3 n LYS 50 Ca 0.47 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.59 1df3 n LYS 50 Cb 0.47 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.77 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1df3 s SER 51 N 0.00 -0.72 -0.33 -5.58 0.15 -0.90 -2.45 113.70 103.88 1df3 s SER 51 Ca 0.00 1.37 -0.24 0.00 0.70 0.00 0.00 55.95 57.78 1df3 s SER 51 Cb 0.00 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.70 1df3 s SER 51 CO 0.00 -0.24 0.83 -0.22 1.20 0.00 0.00 173.24 174.81 1df3 s LEU 52 N 0.42 4.07 -0.69 3.45 2.96 -0.68 -2.86 118.68 125.35 1df3 s LEU 52 Ca -0.00 0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 54.39 1df3 s LEU 52 Cb -0.05 -3.13 0.18 0.00 0.50 0.00 0.00 46.19 43.69 1df3 s LEU 52 CO 0.00 -0.70 0.61 -0.69 -1.32 0.00 0.00 176.35 174.25 1df3 s VAL 53 N 3.12 5.11 -0.55 1.68 1.01 -0.43 -1.49 120.40 128.86 1df3 s VAL 53 Ca 0.34 -2.21 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 1df3 s VAL 53 Cb -0.13 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1df3 s VAL 53 CO 0.15 -0.94 0.83 -0.76 0.00 0.00 0.00 175.10 174.38 1df3 s LEU 54 N 0.64 4.46 -0.91 3.92 1.02 -0.91 -1.53 118.68 125.37 1df3 s LEU 54 Ca 0.13 -0.64 -0.24 0.00 0.02 0.00 0.00 54.13 53.39 1df3 s LEU 54 Cb -0.18 -2.64 0.03 0.00 0.02 0.00 0.00 46.19 43.41 1df3 s LEU 54 CO -0.04 -1.13 1.50 -0.54 0.02 0.00 0.00 176.35 176.16 1df3 s LYS 55 N 3.48 3.28 -0.20 1.70 -0.14 -0.32 -1.70 119.74 125.85 1df3 s LYS 55 Ca 0.24 -0.67 -0.17 0.00 -1.36 0.00 0.00 55.97 54.01 1df3 s LYS 55 Cb -0.16 -4.96 -0.04 0.00 -1.68 0.00 0.00 37.83 31.00 1df3 s LYS 55 CO 0.15 -2.39 0.47 -0.06 -0.76 0.00 0.00 175.35 172.76 1df3 s PHE 56 N 6.16 3.37 0.28 3.18 0.08 -0.63 -1.58 117.98 128.84 1df3 s PHE 56 Ca 0.48 0.70 -0.29 0.00 0.12 0.00 0.00 56.93 57.94 1df3 s PHE 56 Cb -0.04 -2.61 -0.10 0.00 -0.57 0.00 0.00 43.02 39.71 1df3 s PHE 56 CO -0.00 -0.06 1.11 -1.58 -0.10 0.00 0.00 175.22 174.58 1df3 s HIS 57 N 1.49 3.56 -0.14 0.36 2.46 -1.26 -1.13 115.29 120.64 1df3 s HIS 57 Ca 0.22 1.68 -0.07 0.00 0.47 0.00 0.00 55.06 57.36 1df3 s HIS 57 Cb -0.15 -3.30 0.05 0.00 -0.13 0.00 0.00 32.58 29.05 1df3 s HIS 57 CO 0.09 -0.60 0.32 0.99 -2.47 0.00 0.00 174.74 173.06 1df3 s THR 58 N -1.11 -0.10 -0.17 0.89 2.01 -0.47 -1.48 115.64 115.20 1df3 s THR 58 Ca 0.45 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 1df3 s THR 58 Cb -0.32 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1df3 s THR 58 CO 0.41 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 1df3 s VAL 59 N 1.50 3.71 -0.69 3.82 1.01 -1.26 -0.95 120.40 127.53 1df3 s VAL 59 Ca -0.08 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1df3 s VAL 59 Cb -0.10 -2.64 0.19 0.00 0.00 0.00 0.00 36.38 33.83 1df3 s VAL 59 CO -0.10 0.47 0.56 -1.14 0.00 0.00 0.00 175.10 174.88 1df3 n ARG 60 N 3.91 2.01 -3.20 2.72 3.00 -0.96 -4.90 116.66 119.24 1df3 n ARG 60 Ca -0.18 -4.54 -0.11 0.00 -0.00 0.00 0.00 57.85 53.02 1df3 n ARG 60 Cb 0.52 -2.28 0.01 0.00 0.00 0.00 0.00 32.46 30.70 1df3 n ARG 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1df3 n ASP 61 N 1.69 -7.00 0.00 6.15 9.92 -1.26 -3.32 116.55 122.74 1df3 n ASP 61 Ca 0.22 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1df3 n ASP 61 Cb 0.36 -4.20 0.00 0.00 -0.64 0.00 0.00 41.12 36.65 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 -1.38 0.00 -2.64 -1.24 1.02 -1.26 -4.99 120.64 110.15 1df3 n GLU 62 Ca -0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1df3 n GLU 62 Cb 0.55 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 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 3.58 -0.54 3.49 2.12 -1.21 -4.85 118.70 121.29 1df3 s GLU 63 Ca 0.00 0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.37 1df3 s GLU 63 Cb 0.00 -3.97 0.03 0.00 0.26 0.00 0.00 34.13 30.45 1df3 s GLU 63 CO 0.00 -1.49 1.10 0.00 -0.54 0.00 0.00 175.26 174.33 1df3 s SER 65 N 2.75 3.74 -0.37 0.00 0.01 -0.12 -4.98 113.70 114.73 1df3 s SER 65 Ca 0.41 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 1df3 s SER 65 Cb -0.09 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1df3 s SER 65 CO 0.26 0.12 0.23 -1.61 0.41 0.00 0.00 173.24 172.64 1df3 s GLU 66 N -2.72 3.02 -0.46 12.44 2.02 -1.26 -1.37 118.70 130.37 1df3 s GLU 66 Ca 0.22 -0.96 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 1df3 s GLU 66 Cb -0.08 -3.79 0.06 0.00 0.10 0.00 0.00 34.13 30.42 1df3 s GLU 66 CO 0.12 -0.64 0.42 -1.17 0.02 0.00 0.00 175.26 174.00 1df3 s LEU 67 N 1.62 5.35 -0.40 1.80 0.20 -0.28 -4.93 118.68 122.03 1df3 s LEU 67 Ca 0.04 -1.12 -0.27 0.00 0.69 0.00 0.00 54.13 53.48 1df3 s LEU 67 Cb -0.19 -2.24 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 1df3 s LEU 67 CO 0.08 -0.64 0.98 -0.94 -0.29 0.00 0.00 176.35 175.53 1df3 s SER 68 N 2.36 6.66 -0.60 3.68 1.04 -1.26 -1.60 113.70 123.97 1df3 s SER 68 Ca 0.07 0.51 -0.23 0.00 0.48 0.00 0.00 55.95 56.78 1df3 s SER 68 Cb -0.22 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.48 1df3 s SER 68 CO 0.09 -0.97 0.92 -0.04 0.98 0.00 0.00 173.24 174.21 1df3 s MET 69 N 3.72 3.19 -0.66 4.02 1.00 -0.69 -4.91 119.30 124.97 1df3 s MET 69 Ca 0.40 -0.63 -0.22 0.00 0.00 0.00 0.00 55.69 55.24 1df3 s MET 69 Cb -0.11 -4.15 0.07 0.00 0.00 0.00 0.00 34.83 30.65 1df3 s MET 69 CO 0.22 -1.62 0.96 0.08 0.00 0.00 0.00 175.02 174.65 1df3 s VAL 70 N 3.85 4.36 -0.64 -6.03 1.01 -1.26 -2.14 120.40 119.54 1df3 s VAL 70 Ca 0.24 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1df3 s VAL 70 Cb -0.16 -4.68 0.16 0.00 0.00 0.00 0.00 36.38 31.71 1df3 s VAL 70 CO 0.14 -1.45 0.56 0.00 0.00 0.00 0.00 175.10 174.35 1df3 s ALA 71 N 3.96 3.75 0.29 5.51 0.00 -0.55 -4.33 121.76 130.38 1df3 s ALA 71 Ca 0.22 -2.93 -0.29 0.00 0.00 0.00 0.00 51.96 48.96 1df3 s ALA 71 Cb -0.17 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1df3 s ALA 71 CO 0.09 -2.10 1.36 0.16 0.00 0.00 0.00 175.76 175.27 1df3 s ASP 72 N 2.47 6.73 -0.75 0.00 -4.77 -0.75 -1.68 116.67 117.92 1df3 s ASP 72 Ca 0.11 2.66 -0.26 0.00 -3.30 0.00 0.00 52.55 51.75 1df3 s ASP 72 Cb -0.20 -2.64 0.02 0.00 -1.09 0.00 0.00 42.92 39.01 1df3 s ASP 72 CO -0.03 -0.60 1.38 -0.54 0.70 0.00 0.00 175.17 176.08 1df3 s LYS 73 N -1.10 3.15 -0.06 2.11 1.02 -1.02 -2.28 119.74 121.55 1df3 s LYS 73 Ca 0.54 -0.22 0.05 0.00 0.02 0.00 0.00 55.97 56.35 1df3 s LYS 73 Cb -0.40 -4.34 -0.02 0.00 -0.52 0.00 0.00 37.83 32.55 1df3 s LYS 73 CO 0.48 -2.25 -0.21 -0.08 -0.92 0.00 0.00 175.35 172.37 1df3 s THR 74 N 6.16 2.47 -1.08 2.17 -1.32 -1.13 -5.04 115.64 117.88 1df3 s THR 74 Ca 0.41 -0.92 -0.18 0.00 -1.21 0.00 0.00 61.69 59.78 1df3 s THR 74 Cb -0.08 -1.93 0.11 0.00 -1.51 0.00 0.00 72.50 69.09 1df3 s THR 74 CO 0.13 0.57 1.38 -0.70 -2.21 0.00 0.00 174.62 173.79 1df3 s GLU 75 N -0.34 3.77 -0.43 7.08 2.12 -1.26 -3.68 118.70 125.96 1df3 s GLU 75 Ca 0.02 -1.83 0.04 0.00 0.36 0.00 0.00 54.97 53.56 1df3 s GLU 75 Cb -0.12 -5.16 0.17 0.00 0.26 0.00 0.00 34.13 29.28 1df3 s GLU 75 CO 0.02 -1.96 0.42 0.21 -0.54 0.00 0.00 175.26 173.42 1df3 s LYS 76 N 3.23 0.90 1.35 4.30 2.47 -1.26 -5.03 119.74 125.70 1df3 s LYS 76 Ca 0.42 -1.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.08 1df3 s LYS 76 Cb -0.02 -1.05 0.00 0.00 -1.46 0.00 0.00 37.83 35.30 1df3 s LYS 76 CO -0.05 -1.35 0.00 0.00 0.16 0.00 0.00 175.35 174.11 1df3 n ALA 77 N 3.03 0.00 -3.00 3.13 0.00 -1.26 -3.37 120.51 119.04 1df3 n ALA 77 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1df3 n ALA 77 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 1df3 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df3 n GLY 78 N 0.00 2.67 3.70 0.00 0.00 -1.26 -4.41 105.19 105.89 1df3 n GLY 78 Ca 0.00 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.06 4.26 -0.31 1.61 2.12 -1.22 -4.39 118.70 118.71 1df3 s GLU 79 Ca 0.34 0.35 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1df3 s GLU 79 Cb 0.37 -3.48 0.08 0.00 0.26 0.00 0.00 34.13 31.35 1df3 s GLU 79 CO -0.05 0.06 0.00 0.71 -0.54 0.00 0.00 175.26 175.44 1df3 s TYR 80 N 0.97 3.54 -0.41 5.30 2.02 -0.84 -2.84 117.35 125.08 1df3 s TYR 80 Ca 0.23 -2.63 -0.16 0.00 -0.37 0.00 0.00 57.07 54.14 1df3 s TYR 80 Cb -0.15 -2.53 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1df3 s TYR 80 CO 0.09 -0.92 0.34 0.45 -1.57 0.00 0.00 175.55 173.94 1df3 s SER 81 N 1.07 6.13 -0.11 2.29 0.15 -0.97 -2.19 113.70 120.08 1df3 s SER 81 Ca 0.02 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.79 1df3 s SER 81 Cb -0.20 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1df3 s SER 81 CO -0.06 -0.49 0.03 -0.69 1.20 0.00 0.00 173.24 173.23 1df3 s VAL 82 N 1.80 4.51 -0.70 4.45 1.01 -0.84 -1.80 120.40 128.82 1df3 s VAL 82 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1df3 s VAL 82 Cb -0.19 -2.93 0.18 0.00 0.00 0.00 0.00 36.38 33.44 1df3 s VAL 82 CO 0.11 0.58 0.63 -0.89 0.00 0.00 0.00 175.10 175.52 1df3 s THR 83 N -0.63 5.18 -0.23 3.92 2.01 -1.26 -1.48 115.64 123.15 1df3 s THR 83 Ca 0.11 -2.22 -0.11 0.00 0.31 0.00 0.00 61.69 59.78 1df3 s THR 83 Cb -0.12 -4.26 0.08 0.00 0.01 0.00 0.00 72.50 68.22 1df3 s THR 83 CO 0.02 -0.95 0.53 -0.47 -0.69 0.00 0.00 174.62 173.06 1df3 s TYR 84 N 0.60 -0.90 -1.18 4.92 5.04 -1.26 -4.98 117.35 119.59 1df3 s TYR 84 Ca 0.13 1.75 -0.08 0.00 -2.44 0.00 0.00 57.07 56.43 1df3 s TYR 84 Cb -0.18 0.46 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 1df3 s TYR 84 CO -0.05 -0.48 0.80 -0.25 -1.34 0.00 0.00 175.55 174.24 1df3 n ASP 85 N 4.75 -3.92 0.00 4.32 8.00 -1.26 -3.84 116.55 124.60 1df3 n ASP 85 Ca -0.17 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1df3 n ASP 85 Cb 0.54 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 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 -1.49 1.51 3.08 0.44 0.00 -1.26 -4.75 105.19 102.71 1df3 n GLY 86 Ca -0.18 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.56 -0.63 1.61 5.36 -0.81 -4.74 117.98 117.21 1df3 s PHE 87 Ca 0.00 0.71 -0.18 0.00 -0.96 0.00 0.00 56.93 56.50 1df3 s PHE 87 Cb 0.00 0.16 0.12 0.00 -0.34 0.00 0.00 43.02 42.96 1df3 s PHE 87 CO 0.00 -1.07 0.73 0.54 -1.46 0.00 0.00 175.22 173.96 1df3 s ASN 88 N 2.59 6.26 -0.38 6.13 2.20 -0.55 -1.70 114.94 129.49 1df3 s ASN 88 Ca 0.11 -1.61 -0.21 0.00 -0.94 0.00 0.00 52.86 50.21 1df3 s ASN 88 Cb -0.10 -2.29 0.01 0.00 -2.00 0.00 0.00 41.25 36.86 1df3 s ASN 88 CO -0.24 -1.05 0.67 0.42 -2.94 0.00 0.00 177.10 173.95 1df3 s THR 89 N 2.39 4.84 -0.04 0.54 -4.23 -0.86 -1.99 115.64 116.29 1df3 s THR 89 Ca 0.13 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1df3 s THR 89 Cb -0.22 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.45 1df3 s THR 89 CO 0.04 -0.41 -0.03 0.72 -0.54 0.00 0.00 174.62 174.40 1df3 s PHE 90 N 2.82 3.03 -0.04 3.99 -0.12 -0.93 -2.06 117.98 124.66 1df3 s PHE 90 Ca 0.25 0.08 0.03 0.00 -0.05 0.00 0.00 56.93 57.24 1df3 s PHE 90 Cb -0.14 -1.71 -0.03 0.00 -0.63 0.00 0.00 43.02 40.52 1df3 s PHE 90 CO 0.16 0.41 -0.12 0.95 -0.05 0.00 0.00 175.22 176.58 1df3 s THR 91 N -0.94 3.26 -0.54 -4.49 -4.23 -0.86 -1.99 115.64 105.85 1df3 s THR 91 Ca 0.15 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 59.77 1df3 s THR 91 Cb -0.11 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.49 1df3 s THR 91 CO 0.05 0.56 0.67 -0.63 -0.54 0.00 0.00 174.62 174.72 1df3 s ILE 92 N -0.79 4.83 0.14 2.99 1.01 -1.26 -1.85 121.20 126.27 1df3 s ILE 92 Ca 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1df3 s ILE 92 Cb -0.11 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1df3 s ILE 92 CO 0.02 -0.93 1.60 1.55 0.00 0.00 0.00 174.94 177.18 1df3 h PRO 93 N 9.08 0.81 -3.68 2.79 0.13 -1.90 -2.58 132.00 136.64 1df3 h PRO 93 Ca -0.28 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.32 1df3 h PRO 93 Cb 1.09 -0.08 -0.31 0.00 0.13 0.00 0.00 31.00 31.83 1df3 h PRO 93 CO 1.02 0.85 -0.73 0.15 -0.23 0.00 0.00 178.00 179.06 1df3 s LYS 94 N -5.06 0.05 -0.17 0.86 1.02 -1.25 -4.04 119.74 111.15 1df3 s LYS 94 Ca -0.13 0.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 1df3 s LYS 94 Cb 0.11 -0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1df3 s LYS 94 CO 0.81 -0.08 -0.07 -0.08 -0.92 0.00 0.00 175.35 175.02 1df3 s THR 95 N 0.55 1.22 -1.02 2.17 -1.32 -0.85 -1.32 115.64 115.07 1df3 s THR 95 Ca -0.05 -0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 59.61 1df3 s THR 95 Cb -0.07 -1.37 0.22 0.00 -1.51 0.00 0.00 72.50 69.77 1df3 s THR 95 CO -0.01 0.16 1.08 -0.62 -2.21 0.00 0.00 174.62 173.02 1df3 s ASP 96 N 1.59 7.01 -0.76 8.08 3.68 -0.22 -2.22 116.67 133.82 1df3 s ASP 96 Ca 0.01 -2.97 -0.27 0.00 2.13 0.00 0.00 52.55 51.44 1df3 s ASP 96 Cb -0.15 -2.28 -0.25 0.00 -1.45 0.00 0.00 42.92 38.79 1df3 s ASP 96 CO -0.08 -0.59 1.92 0.00 0.13 0.00 0.00 175.17 176.55 1df3 n TYR 97 N 4.28 1.03 0.00 -5.34 0.18 -1.26 -1.58 117.16 114.46 1df3 n TYR 97 Ca 0.24 -0.63 0.00 0.00 1.88 0.00 0.00 57.90 59.39 1df3 n TYR 97 Cb 0.44 -1.99 0.00 0.00 -0.38 0.00 0.00 39.34 37.40 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 14.79 0.00 -0.01 9.48 2.03 -1.26 -4.98 116.55 136.60 1df3 n ASP 98 Ca 0.44 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.74 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 0.58 -4.27 1.67 4.13 -0.62 -4.62 115.26 112.14 1df3 n ASN 99 Ca 0.00 0.09 -0.15 0.00 1.68 0.00 0.00 54.58 56.20 1df3 n ASN 99 Cb 0.00 -0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 37.79 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 -1.55 1.33 -0.20 3.10 -0.12 -0.86 -2.04 117.98 117.64 1df3 s PHE 100 Ca -0.05 -1.09 -0.04 0.00 -0.05 0.00 0.00 56.93 55.70 1df3 s PHE 100 Cb 0.01 -0.77 0.10 0.00 -0.63 0.00 0.00 43.02 41.73 1df3 s PHE 100 CO 0.08 -0.27 0.31 -1.17 -0.05 0.00 0.00 175.22 174.12 1df3 s LEU 101 N -3.23 -0.40 -0.32 -1.99 0.20 -0.59 -1.05 118.68 111.30 1df3 s LEU 101 Ca 0.30 0.26 -0.26 0.00 0.69 0.00 0.00 54.13 55.12 1df3 s LEU 101 Cb 0.07 0.83 0.01 0.00 -0.43 0.00 0.00 46.19 46.67 1df3 s LEU 101 CO 0.08 -0.29 0.92 -0.04 -0.29 0.00 0.00 176.35 176.73 1df3 s MET 102 N 2.46 3.98 -0.19 1.98 -1.94 -0.43 -1.78 119.30 123.38 1df3 s MET 102 Ca 0.07 0.77 0.01 0.00 -1.71 0.00 0.00 55.69 54.83 1df3 s MET 102 Cb -0.14 -3.74 0.03 0.00 2.01 0.00 0.00 34.83 32.98 1df3 s MET 102 CO -0.13 -0.80 -0.17 0.00 -0.01 0.00 0.00 175.02 173.91 1df3 s ALA 103 N 3.30 2.26 -0.51 3.03 0.00 -1.04 -3.63 121.76 125.17 1df3 s ALA 103 Ca 0.38 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1df3 s ALA 103 Cb -0.13 -1.23 0.09 0.00 0.00 0.00 0.00 23.12 21.85 1df3 s ALA 103 CO 0.14 -0.52 0.49 -1.58 0.00 0.00 0.00 175.76 174.29 1df3 s HIS 104 N 1.30 3.20 -0.13 0.00 2.46 -0.77 -1.77 115.29 119.58 1df3 s HIS 104 Ca 0.02 -1.00 -0.19 0.00 0.47 0.00 0.00 55.06 54.37 1df3 s HIS 104 Cb -0.14 -3.49 -0.04 0.00 -0.13 0.00 0.00 32.58 28.78 1df3 s HIS 104 CO -0.11 -0.94 0.51 -1.17 -2.47 0.00 0.00 174.74 170.56 1df3 s LEU 105 N 1.85 4.26 -0.30 8.88 0.20 -0.57 -2.02 118.68 130.97 1df3 s LEU 105 Ca 0.06 0.83 0.03 0.00 0.69 0.00 0.00 54.13 55.74 1df3 s LEU 105 Cb -0.25 -2.74 0.08 0.00 -0.43 0.00 0.00 46.19 42.85 1df3 s LEU 105 CO 0.06 -0.05 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.43 1df3 s ILE 106 N 0.83 2.14 -0.32 6.68 1.01 -0.88 -1.22 121.20 129.45 1df3 s ILE 106 Ca 0.27 -1.96 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 1df3 s ILE 106 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1df3 s ILE 106 CO 0.11 -0.34 0.36 0.21 0.00 0.00 0.00 174.94 175.28 1df3 s ASN 107 N 1.03 6.20 -0.27 3.58 3.84 -0.78 -2.03 114.94 126.52 1df3 s ASN 107 Ca 0.02 -0.05 -0.16 0.00 0.21 0.00 0.00 52.86 52.88 1df3 s ASN 107 Cb -0.19 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.28 1df3 s ASN 107 CO -0.07 -0.28 0.44 -1.61 -2.79 0.00 0.00 177.10 172.78 1df3 s GLU 108 N 2.05 4.01 -0.20 0.43 8.01 -0.69 -2.13 118.70 130.18 1df3 s GLU 108 Ca 0.13 0.13 -0.04 0.00 0.01 0.00 0.00 54.97 55.20 1df3 s GLU 108 Cb -0.16 -3.67 0.08 0.00 -4.31 0.00 0.00 34.13 26.08 1df3 s GLU 108 CO 0.11 -0.33 0.18 -1.59 0.01 0.00 0.00 175.26 173.64 1df3 s LYS 109 N 2.18 0.16 -1.14 1.61 -2.85 -0.31 -1.92 119.74 117.46 1df3 s LYS 109 Ca 0.18 0.10 -0.15 0.00 -1.00 0.00 0.00 55.97 55.10 1df3 s LYS 109 Cb -0.16 -1.38 -0.02 0.00 -2.06 0.00 0.00 37.83 34.21 1df3 s LYS 109 CO 0.10 -0.67 0.81 -0.25 0.10 0.00 0.00 175.35 175.43 1df3 n ASP 110 N 5.31 -5.10 -1.97 0.03 9.92 -1.26 -2.16 116.55 121.32 1df3 n ASP 110 Ca -0.06 -0.92 -0.19 0.00 -0.53 0.00 0.00 54.79 53.09 1df3 n ASP 110 Cb 0.49 -3.89 -0.05 0.00 -0.64 0.00 0.00 41.12 37.04 1df3 n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1df3 n GLY 111 N -1.57 0.67 2.85 0.44 0.00 -1.26 -5.01 105.19 101.31 1df3 n GLY 111 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.31 0.04 -0.06 1.61 0.41 -0.92 -5.16 118.70 110.31 1df3 s GLU 112 Ca 0.00 0.42 0.04 0.00 -0.41 0.00 0.00 54.97 55.02 1df3 s GLU 112 Cb 0.00 -0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.10 1df3 s GLU 112 CO 0.00 -0.23 -0.17 0.99 -0.49 0.00 0.00 175.26 175.35 1df3 s THR 113 N 1.66 1.49 0.08 3.63 2.01 -1.26 -1.17 115.64 122.08 1df3 s THR 113 Ca -0.03 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1df3 s THR 113 Cb -0.12 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1df3 s THR 113 CO -0.05 0.43 -0.12 0.72 -0.69 0.00 0.00 174.62 174.91 1df3 s PHE 114 N 0.23 1.08 -0.19 4.92 -0.12 -0.91 -5.02 117.98 117.97 1df3 s PHE 114 Ca -0.09 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.19 1df3 s PHE 114 Cb -0.14 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1df3 s PHE 114 CO 0.04 0.02 0.06 1.14 -0.05 0.00 0.00 175.22 176.42 1df3 s GLN 115 N -2.05 3.88 -0.26 1.99 -2.07 -1.26 -1.86 119.66 118.02 1df3 s GLN 115 Ca -0.01 -0.39 0.02 0.00 -1.82 0.00 0.00 55.36 53.17 1df3 s GLN 115 Cb -0.08 -3.21 0.07 0.00 -1.09 0.00 0.00 33.01 28.70 1df3 s GLN 115 CO 0.01 0.17 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.93 1df3 s LEU 116 N 0.63 3.28 -0.28 2.60 0.20 -0.36 -1.67 118.68 123.09 1df3 s LEU 116 Ca 0.03 -1.43 -0.10 0.00 0.69 0.00 0.00 54.13 53.31 1df3 s LEU 116 Cb -0.13 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1df3 s LEU 116 CO 0.02 -0.24 0.15 -0.32 -0.29 0.00 0.00 176.35 175.67 1df3 s MET 117 N 1.19 3.74 -0.16 1.98 1.75 -0.79 -1.51 119.30 125.50 1df3 s MET 117 Ca -0.05 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 1df3 s MET 117 Cb -0.19 -3.56 -0.00 0.00 2.84 0.00 0.00 34.83 33.91 1df3 s MET 117 CO -0.06 -0.24 -0.15 0.20 -0.65 0.00 0.00 175.02 174.11 1df3 s GLY 118 N 1.69 1.48 -0.23 2.11 0.00 -0.73 -3.40 107.32 108.24 1df3 s GLY 118 Ca 0.06 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.47 1df3 s GLY 118 CO 0.08 0.03 0.94 -2.27 0.00 0.00 0.00 173.10 171.88 1df3 s LEU 119 N 0.82 4.10 0.31 0.66 2.96 -0.50 -2.50 118.68 124.53 1df3 s LEU 119 Ca -0.05 1.23 0.09 0.00 -0.22 0.00 0.00 54.13 55.18 1df3 s LEU 119 Cb -0.15 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1df3 s LEU 119 CO -0.00 -0.58 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.12 1df3 s TYR 120 N 2.95 2.56 -0.08 5.38 2.02 -0.74 -1.46 117.35 127.99 1df3 s TYR 120 Ca 0.40 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.50 1df3 s TYR 120 Cb -0.15 -1.35 0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1df3 s TYR 120 CO 0.07 0.54 0.55 0.20 -1.57 0.00 0.00 175.55 175.34 1df3 s GLY 121 N -3.69 -0.42 0.09 0.71 0.00 -0.78 -1.54 107.32 101.69 1df3 s GLY 121 Ca 0.33 1.11 -0.18 0.00 0.00 0.00 0.00 44.72 45.98 1df3 s GLY 121 CO 0.19 0.82 1.50 3.21 0.00 0.00 0.00 173.10 178.83 1df3 h ARG 122 N 3.76 0.48 -6.88 2.90 2.47 -1.64 -0.84 114.38 114.63 1df3 h ARG 122 Ca -0.28 -0.17 -0.50 0.00 -1.26 0.00 0.00 59.98 57.77 1df3 h ARG 122 Cb 1.16 -0.04 0.03 0.00 -1.65 0.00 0.00 29.97 29.48 1df3 h ARG 122 CO 0.33 0.67 0.49 -1.21 0.56 0.00 0.00 179.97 180.82 1df3 s GLU 123 N -4.88 4.34 0.59 0.04 2.02 -1.26 -4.77 118.70 114.78 1df3 s GLU 123 Ca -0.13 1.81 0.29 0.00 0.02 0.00 0.00 54.97 56.95 1df3 s GLU 123 Cb 0.08 -2.90 1.49 0.00 0.10 0.00 0.00 34.13 32.90 1df3 s GLU 123 CO 0.76 -0.06 1.91 -1.35 0.02 0.00 0.00 175.26 176.54 1df3 h PRO 124 N 3.16 0.00 -3.65 0.39 0.11 -1.94 -3.42 132.00 126.66 1df3 h PRO 124 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 1df3 h PRO 124 Cb 1.22 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.01 1df3 h PRO 124 CO 0.65 0.00 -0.73 0.16 -0.21 0.00 0.00 178.00 177.86 1df3 s ASP 125 N -5.22 0.12 0.44 -2.05 1.47 -1.26 -2.85 116.67 107.32 1df3 s ASP 125 Ca -0.04 0.01 0.07 0.00 1.18 0.00 0.00 52.55 53.78 1df3 s ASP 125 Cb 0.15 -0.07 0.02 0.00 -0.34 0.00 0.00 42.92 42.68 1df3 s ASP 125 CO 0.54 -0.08 0.60 -0.76 0.68 0.00 0.00 175.17 176.15 1df3 s LEU 126 N 0.70 3.59 0.55 2.11 1.43 -1.26 -5.09 118.68 120.70 1df3 s LEU 126 Ca -0.06 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 1df3 s LEU 126 Cb -0.09 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1df3 s LEU 126 CO -0.02 -0.83 1.11 -0.55 0.23 0.00 0.00 176.35 176.30 1df3 s SER 127 N -4.37 5.73 0.48 2.29 0.15 -1.26 -4.95 113.70 111.77 1df3 s SER 127 Ca 0.56 2.11 0.15 0.00 0.70 0.00 0.00 55.95 59.47 1df3 s SER 127 Cb -0.10 -2.57 1.16 0.00 -1.71 0.00 0.00 66.02 62.80 1df3 s SER 127 CO 0.34 -1.21 2.07 -1.28 1.20 0.00 0.00 173.24 174.36 1df3 h SER 128 N 1.09 0.17 -0.34 5.45 0.87 -1.99 -2.83 113.55 115.97 1df3 h SER 128 Ca -0.49 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.97 1df3 h SER 128 Cb 1.25 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1df3 h SER 128 CO 0.57 0.12 -0.12 0.44 -0.53 0.00 0.00 176.83 177.30 1df3 h ASP 129 N 0.20 0.77 -0.32 6.23 3.32 -1.99 -1.25 116.42 123.37 1df3 h ASP 129 Ca 0.13 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1df3 h ASP 129 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1df3 h ASP 129 CO -0.02 0.91 0.14 0.40 -1.72 0.00 0.00 179.24 178.94 1df3 h ILE 130 N 0.70 1.17 -0.72 0.35 2.04 -1.90 -2.49 117.51 116.66 1df3 h ILE 130 Ca 0.12 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1df3 h ILE 130 Cb 0.60 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1df3 h ILE 130 CO 0.04 0.18 0.47 0.11 0.00 0.00 0.00 178.15 178.96 1df3 h LYS 131 N 0.37 0.81 -0.52 2.37 1.57 -1.49 -1.97 116.57 117.71 1df3 h LYS 131 Ca 0.11 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1df3 h LYS 131 Cb 0.16 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1df3 h LYS 131 CO -0.01 0.54 0.32 0.93 -0.57 0.00 0.00 179.45 180.65 1df3 h GLU 132 N 0.84 0.61 -0.38 3.15 5.08 -1.20 -0.93 114.58 121.75 1df3 h GLU 132 Ca 0.29 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 1df3 h GLU 132 Cb 0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1df3 h GLU 132 CO -0.09 0.40 0.02 0.00 -1.00 0.00 0.00 179.01 178.34 1df3 h ARG 133 N 0.63 0.12 -0.34 2.33 -0.00 -1.16 -2.52 114.38 113.44 1df3 h ARG 133 Ca 0.21 -0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.73 1df3 h ARG 133 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.91 1df3 h ARG 133 CO -0.09 0.08 0.07 0.35 0.00 0.00 0.00 179.97 180.39 1df3 h PHE 134 N 0.12 0.13 -0.87 3.04 3.57 -1.29 -2.16 116.94 119.48 1df3 h PHE 134 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1df3 h PHE 134 Cb 0.25 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1df3 h PHE 134 CO -0.25 0.03 0.51 0.00 -2.23 0.00 0.00 178.31 176.38 1df3 h ALA 135 N 1.25 1.11 -0.65 2.41 0.00 -1.09 0.09 119.26 122.37 1df3 h ALA 135 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1df3 h ALA 135 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1df3 h ALA 135 CO -0.21 0.58 0.17 1.96 0.00 0.00 0.00 179.25 181.75 1df3 h GLN 136 N 1.20 1.02 -0.65 0.00 1.08 -1.48 -2.63 115.11 113.64 1df3 h GLN 136 Ca 0.31 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1df3 h GLN 136 Cb -0.03 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1df3 h GLN 136 CO -0.06 0.90 0.36 1.25 -0.95 0.00 0.00 178.83 180.33 1df3 h LEU 137 N 0.98 0.79 0.09 1.46 5.85 -1.16 -2.09 115.31 121.24 1df3 h LEU 137 Ca 0.21 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1df3 h LEU 137 Cb 0.33 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1df3 h LEU 137 CO -0.00 0.64 -0.18 0.00 -0.34 0.00 0.00 178.44 178.55 1df3 h GLU 139 N -0.35 1.15 -0.21 0.00 4.81 -1.46 -0.57 114.58 117.96 1df3 h GLU 139 Ca 0.03 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1df3 h GLU 139 Cb 0.37 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1df3 h GLU 139 CO -0.11 0.76 -0.07 1.49 -0.73 0.00 0.00 179.01 180.35 1df3 h GLU 140 N 1.18 -0.02 -0.10 1.92 4.22 -1.34 -3.28 114.58 117.16 1df3 h GLU 140 Ca 0.42 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.74 1df3 h GLU 140 Cb 0.12 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1df3 h GLU 140 CO -0.16 -0.02 -0.41 0.45 -2.18 0.00 0.00 179.01 176.69 1df3 h HIS 141 N -0.02 0.60 0.00 0.92 3.86 -1.41 -3.49 115.15 115.60 1df3 h HIS 141 Ca 0.10 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1df3 h HIS 141 Cb 0.18 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1df3 h HIS 141 CO -0.23 1.01 0.00 0.41 0.86 0.00 0.00 177.93 179.98 1df3 n GLY 142 N 0.67 0.68 3.12 2.45 0.00 -0.45 -5.13 105.19 106.53 1df3 n GLY 142 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.85 1.84 0.54 -0.61 1.01 -0.35 -4.92 121.20 117.86 1df3 s ILE 143 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1df3 s ILE 143 Cb 0.00 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1df3 s ILE 143 CO 0.00 0.51 1.16 -0.76 0.00 0.00 0.00 174.94 175.85 1df3 s LEU 144 N 0.91 3.78 0.02 2.97 1.43 -1.26 -3.93 118.68 122.60 1df3 s LEU 144 Ca -0.06 2.27 0.13 0.00 -1.03 0.00 0.00 54.13 55.44 1df3 s LEU 144 Cb -0.15 -4.51 0.54 0.00 0.03 0.00 0.00 46.19 42.10 1df3 s LEU 144 CO -0.02 -1.27 1.40 0.54 0.23 0.00 0.00 176.35 177.23 1df3 n ARG 145 N -1.21 0.01 -0.18 1.70 1.74 -1.26 -3.18 116.66 114.27 1df3 n ARG 145 Ca 0.11 0.30 -0.11 0.00 -0.77 0.00 0.00 57.85 57.39 1df3 n ARG 145 Cb 0.50 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1df3 n ARG 145 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1df3 h GLU 146 N 0.00 1.02 0.00 5.56 4.39 -2.02 -3.23 114.58 120.31 1df3 h GLU 146 Ca 0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1df3 h GLU 146 Cb 0.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1df3 h GLU 146 CO 0.00 1.08 0.00 0.27 -1.16 0.00 0.00 179.01 179.20 1df3 n ASN 147 N -4.15 0.27 -4.55 1.42 0.23 -1.19 -4.84 115.26 102.45 1df3 n ASN 147 Ca 0.01 0.54 -0.39 0.00 -0.53 0.00 0.00 54.58 54.21 1df3 n ASN 147 Cb 0.41 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 1df3 n ASN 147 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1df3 s ILE 148 N -3.07 3.48 -0.33 1.53 1.01 -1.22 -4.51 121.20 118.10 1df3 s ILE 148 Ca 0.10 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1df3 s ILE 148 Cb 0.14 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1df3 s ILE 148 CO 0.46 -1.21 0.37 -0.63 0.00 0.00 0.00 174.94 173.92 1df3 s ILE 149 N 7.91 5.17 -0.86 2.92 1.01 -1.22 -5.03 121.20 131.10 1df3 s ILE 149 Ca 0.57 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 61.18 1df3 s ILE 149 Cb -0.11 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.68 1df3 s ILE 149 CO 0.19 -0.04 1.06 -1.81 0.00 0.00 0.00 174.94 174.34 1df3 s ASP 150 N 1.72 6.53 0.02 3.58 1.01 -1.26 -2.15 116.67 126.12 1df3 s ASP 150 Ca 0.12 -1.86 -0.20 0.00 0.71 0.00 0.00 52.55 51.32 1df3 s ASP 150 Cb -0.16 -2.39 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1df3 s ASP 150 CO 0.11 -1.11 1.08 -0.07 0.21 0.00 0.00 175.17 175.39 1df3 h LEU 151 N 10.44 -0.62 -3.16 1.23 -0.00 -1.63 -3.47 115.31 118.10 1df3 h LEU 151 Ca 0.05 0.02 -0.49 0.00 -0.00 0.00 0.00 57.88 57.47 1df3 h LEU 151 Cb 1.04 0.16 -0.08 0.00 -0.00 0.00 0.00 40.66 41.78 1df3 h LEU 151 CO 1.11 -0.36 -0.79 -1.54 -0.00 0.00 0.00 178.44 176.85 1df3 n SER 152 N -4.42 -1.65 -3.44 -0.43 3.41 -0.70 -1.67 113.62 104.72 1df3 n SER 152 Ca -0.09 -1.03 -0.20 0.00 -0.26 0.00 0.00 58.87 57.29 1df3 n SER 152 Cb 0.29 -1.25 0.04 0.00 -0.26 0.00 0.00 64.21 63.03 1df3 n SER 152 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1df3 n ASN 153 N -1.77 -6.16 0.00 4.04 2.85 -1.13 -4.54 115.26 108.54 1df3 n ASN 153 Ca -0.16 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.56 1df3 n ASN 153 Cb 0.49 -4.17 0.00 0.00 1.24 0.00 0.00 39.78 37.34 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1df3 n ALA 154 N -3.34 -0.05 -3.46 5.20 0.00 -0.67 -4.81 120.51 113.39 1df3 n ALA 154 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1df3 n ALA 154 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 1df3 n ALA 154 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1df3 s ASN 155 N -2.65 2.50 -0.46 0.00 2.47 -1.26 -5.13 114.94 110.42 1df3 s ASN 155 Ca 0.00 -1.18 -0.31 0.00 0.42 0.00 0.00 52.86 51.79 1df3 s ASN 155 Cb 0.00 0.08 -0.15 0.00 -1.45 0.00 0.00 41.25 39.73 1df3 s ASN 155 CO 0.00 -0.39 1.70 -2.11 -3.72 0.00 0.00 177.10 172.58 1df3 n ARG 156 N 5.07 0.00 -1.95 0.43 1.85 -1.26 -3.98 116.66 116.82 1df3 n ARG 156 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1df3 n ARG 156 Cb 0.44 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 1df3 n ARG 156 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1df3 s LEU 158 N -0.44 4.62 0.43 0.00 1.43 -1.26 -5.09 118.68 118.38 1df3 s LEU 158 Ca 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1df3 s LEU 158 Cb 0.00 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1df3 s LEU 158 CO 0.00 -0.31 0.75 -1.10 0.23 0.00 0.00 176.35 175.92 1df3 s GLN 159 N 1.79 3.62 -0.32 1.70 -0.21 -1.26 -4.10 119.66 120.89 1df3 s GLN 159 Ca 0.07 0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 1df3 s GLN 159 Cb -0.17 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.42 1df3 s GLN 159 CO 0.11 -0.09 1.29 0.00 -2.12 0.00 0.00 175.29 174.48 1df3 s ALA 160 N -2.54 3.34 -0.01 6.09 0.00 -1.26 -5.00 121.76 122.37 1df3 s ALA 160 Ca 0.48 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 1df3 s ALA 160 Cb -0.10 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1df3 s ALA 160 CO 0.39 -1.83 0.29 -0.98 0.00 0.00 0.00 175.76 173.63 1df3 s ARG 161 N 4.22 0.64 0.00 0.00 1.04 -1.26 -5.15 118.95 118.44 1df3 s ARG 161 Ca 0.56 -0.20 0.00 0.00 -1.04 0.00 0.00 55.73 55.05 1df3 s ARG 161 Cb -0.16 0.28 0.00 0.00 -2.04 0.00 0.00 34.95 33.03 1df3 s ARG 161 CO 0.24 -0.17 0.00 -1.91 -0.04 0.00 0.00 175.30 173.41