#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n LYS 13 N 0.00 2.00 -2.81 2.89 5.02 -1.26 -5.10 118.16 118.89 3df3 n LYS 13 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3df3 n LYS 13 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 3df3 n LYS 13 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3df3 n GLN 14 N -0.09 -2.96 0.01 1.97 1.13 -1.13 -4.93 117.38 111.38 3df3 n GLN 14 Ca 0.00 2.45 0.11 0.00 -1.94 0.00 0.00 57.00 57.63 3df3 n GLN 14 Cb 0.00 -4.83 0.09 0.00 0.11 0.00 0.00 30.24 25.61 3df3 n GLN 14 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3df3 n VAL 15 N 0.65 0.08 0.00 5.09 0.31 0.41 -4.83 118.33 120.03 3df3 n VAL 15 Ca 0.01 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3df3 n VAL 15 Cb 0.13 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3df3 n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3df3 n SER 16 N -1.70 0.00 -3.63 4.52 7.64 -1.10 -4.76 113.62 114.59 3df3 n SER 16 Ca 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 3df3 n SER 16 Cb 0.38 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 3df3 n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3df3 s ASP 17 N -1.16 -0.08 0.00 6.43 -4.77 -1.26 0.14 116.67 115.97 3df3 s ASP 17 Ca 0.00 0.09 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 3df3 s ASP 17 Cb 0.00 0.07 0.00 0.00 -1.09 0.00 0.00 42.92 41.90 3df3 s ASP 17 CO 0.00 -0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.40 3df3 n GLY 18 N 0.58 3.72 3.25 2.12 0.00 -0.98 -4.48 105.19 109.40 3df3 n GLY 18 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 3df3 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df3 s VAL 19 N -0.65 1.42 -0.22 1.61 -7.23 0.37 -2.10 120.40 113.59 3df3 s VAL 19 Ca 0.00 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 3df3 s VAL 19 Cb 0.00 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.42 3df3 s VAL 19 CO 0.00 -0.36 -0.11 0.00 -0.31 0.00 0.00 175.10 174.32 3df3 s ALA 20 N -1.97 2.58 -0.11 1.32 0.00 -0.62 -0.80 121.76 122.15 3df3 s ALA 20 Ca 0.09 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 3df3 s ALA 20 Cb -0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3df3 s ALA 20 CO 0.04 -0.60 0.18 -1.01 0.00 0.00 0.00 175.76 174.36 3df3 s HIS 21 N 1.33 3.59 -0.15 0.00 3.76 -0.56 0.45 115.29 123.71 3df3 s HIS 21 Ca 0.02 0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 55.49 3df3 s HIS 21 Cb -0.15 -2.02 0.04 0.00 1.11 0.00 0.00 32.58 31.57 3df3 s HIS 21 CO -0.07 0.67 0.00 0.42 -0.85 0.00 0.00 174.74 174.91 3df3 s ILE 22 N -0.86 0.63 -1.09 0.60 1.09 -0.12 -1.23 121.20 120.23 3df3 s ILE 22 Ca 0.15 -0.36 -0.05 0.00 -1.10 0.00 0.00 60.65 59.29 3df3 s ILE 22 Cb -0.13 -0.94 0.30 0.00 -1.06 0.00 0.00 42.46 40.64 3df3 s ILE 22 CO 0.05 0.03 1.42 1.57 -0.10 0.00 0.00 174.94 177.90 3df3 n HIS 23 N 5.04 2.86 -2.14 3.97 -0.00 -0.51 -2.83 115.22 121.59 3df3 n HIS 23 Ca -0.09 -2.84 -0.30 0.00 0.46 0.00 0.00 57.72 54.95 3df3 n HIS 23 Cb 0.48 -1.36 -0.05 0.00 -0.12 0.00 0.00 29.99 28.95 3df3 n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df3 s ALA 24 N -2.45 1.90 0.66 1.57 0.00 -1.18 -3.60 121.76 118.66 3df3 s ALA 24 Ca 0.31 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.41 3df3 s ALA 24 Cb 0.02 -4.58 0.05 0.00 0.00 0.00 0.00 23.12 18.60 3df3 s ALA 24 CO 0.07 -4.68 0.96 -1.54 0.00 0.00 0.00 175.76 170.56 3df3 s SER 25 N 7.13 5.05 0.33 0.00 1.04 0.21 -3.31 113.70 124.14 3df3 s SER 25 Ca 0.66 0.44 0.26 0.00 0.48 0.00 0.00 55.95 57.79 3df3 s SER 25 Cb -0.04 -1.20 1.09 0.00 0.10 0.00 0.00 66.02 65.97 3df3 s SER 25 CO 0.01 -1.42 1.78 -0.26 0.98 0.00 0.00 173.24 174.33 3df3 h PHE 26 N -0.41 0.00 0.00 5.02 0.04 -1.93 -3.26 116.94 116.40 3df3 h PHE 26 Ca -0.44 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.33 3df3 h PHE 26 Cb 1.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 3df3 h PHE 26 CO 0.37 0.00 -1.12 0.09 -0.60 0.00 0.00 178.31 177.05 3df3 n ASN 27 N -2.43 4.41 -3.55 2.17 3.02 -1.26 -4.94 115.26 112.68 3df3 n ASN 27 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 3df3 n ASN 27 Cb 0.24 1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 40.46 3df3 n ASN 27 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3df3 s ASN 28 N -2.34 -0.38 -0.01 6.41 3.04 -1.23 -4.09 114.94 116.34 3df3 s ASN 28 Ca -0.01 -0.14 0.03 0.00 0.04 0.00 0.00 52.86 52.78 3df3 s ASN 28 Cb 0.02 0.52 -0.00 0.00 -1.54 0.00 0.00 41.25 40.24 3df3 s ASN 28 CO 0.11 -0.88 -0.09 -0.89 -3.04 0.00 0.00 177.10 172.31 3df3 s THR 29 N -3.61 0.72 0.01 -5.21 2.01 -1.26 -0.62 115.64 107.68 3df3 s THR 29 Ca 0.01 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3df3 s THR 29 Cb 0.01 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 3df3 s THR 29 CO -0.11 0.21 -0.04 0.27 -0.69 0.00 0.00 174.62 174.26 3df3 s ILE 30 N -0.09 0.29 -0.14 1.82 -4.36 -1.24 -0.15 121.20 117.33 3df3 s ILE 30 Ca 0.02 -0.44 0.02 0.00 -0.26 0.00 0.00 60.65 59.98 3df3 s ILE 30 Cb -0.05 -0.30 0.01 0.00 1.25 0.00 0.00 42.46 43.37 3df3 s ILE 30 CO -0.00 -0.11 -0.21 0.68 0.24 0.00 0.00 174.94 175.54 3df3 s VAL 31 N -0.55 2.00 -0.25 8.37 -7.23 0.90 -1.43 120.40 122.21 3df3 s VAL 31 Ca -0.04 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 3df3 s VAL 31 Cb -0.04 -1.78 0.06 0.00 0.56 0.00 0.00 36.38 35.18 3df3 s VAL 31 CO -0.00 0.54 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.37 3df3 s THR 32 N 0.93 1.75 -0.09 5.32 2.01 -0.36 -0.59 115.64 124.61 3df3 s THR 32 Ca -0.05 -1.41 -0.20 0.00 0.31 0.00 0.00 61.69 60.34 3df3 s THR 32 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3df3 s THR 32 CO -0.04 -0.12 0.58 -0.63 -0.69 0.00 0.00 174.62 173.72 3df3 s ILE 33 N 1.28 5.11 0.04 1.82 -1.09 0.17 -1.50 121.20 127.02 3df3 s ILE 33 Ca -0.06 1.17 -0.09 0.00 -2.23 0.00 0.00 60.65 59.45 3df3 s ILE 33 Cb -0.19 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3df3 s ILE 33 CO -0.06 0.31 0.19 0.28 -1.23 0.00 0.00 174.94 174.42 3df3 s THR 34 N 0.60 0.11 0.88 2.92 -1.32 0.02 -0.50 115.64 118.35 3df3 s THR 34 Ca 0.31 -0.91 -0.11 0.00 -1.21 0.00 0.00 61.69 59.77 3df3 s THR 34 Cb -0.16 -0.93 0.12 0.00 -1.51 0.00 0.00 72.50 70.02 3df3 s THR 34 CO 0.14 -0.50 1.16 1.51 -2.21 0.00 0.00 174.62 174.71 3df3 s ASP 35 N -2.12 3.20 0.58 8.08 1.47 -1.20 0.14 116.67 126.83 3df3 s ASP 35 Ca -0.05 2.21 0.30 0.00 1.18 0.00 0.00 52.55 56.19 3df3 s ASP 35 Cb -0.01 -2.57 1.41 0.00 -0.34 0.00 0.00 42.92 41.41 3df3 s ASP 35 CO -0.04 -2.92 1.79 0.03 0.68 0.00 0.00 175.17 174.71 3df3 h ARG 36 N -1.58 0.00 -0.94 2.11 3.08 -1.85 0.29 114.38 115.49 3df3 h ARG 36 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3df3 h ARG 36 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 3df3 h ARG 36 CO 0.43 0.00 0.57 1.96 -1.07 0.00 0.00 179.97 181.87 3df3 h GLN 37 N 0.00 1.26 0.00 0.04 1.08 -1.97 -3.46 115.11 112.06 3df3 h GLN 37 Ca 0.31 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3df3 h GLN 37 Cb 1.61 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3df3 h GLN 37 CO -0.00 0.88 0.00 0.41 -0.95 0.00 0.00 178.83 179.16 3df3 n GLY 38 N -1.26 1.61 3.51 3.46 0.00 0.10 -5.09 105.19 107.52 3df3 n GLY 38 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3df3 n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df3 s ASN 39 N -2.00 6.33 -0.44 1.61 0.01 -1.25 -4.92 114.94 114.28 3df3 s ASN 39 Ca 0.00 -0.38 -0.43 0.00 -0.71 0.00 0.00 52.86 51.34 3df3 s ASN 39 Cb 0.00 -2.34 -0.18 0.00 0.41 0.00 0.00 41.25 39.15 3df3 s ASN 39 CO 0.00 -0.85 1.87 0.00 -1.51 0.00 0.00 177.10 176.61 3df3 n ALA 40 N 6.42 -0.32 -0.11 0.60 0.00 -1.26 -3.21 120.51 122.62 3df3 n ALA 40 Ca -0.01 0.31 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 3df3 n ALA 40 Cb 0.48 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 3df3 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df3 n LEU 41 N 6.10 1.89 -3.67 0.00 4.77 0.35 -4.95 117.00 121.47 3df3 n LEU 41 Ca 0.39 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.65 3df3 n LEU 41 Cb 0.02 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 3df3 n LEU 41 CO 0.86 0.27 0.28 -0.83 -1.33 0.00 0.00 177.39 176.64 3df3 s GLY 42 N -4.99 -0.44 0.14 -0.72 0.00 0.05 -4.82 107.32 96.54 3df3 s GLY 42 Ca -0.31 1.65 0.04 0.00 0.00 0.00 0.00 44.72 46.11 3df3 s GLY 42 CO 0.52 1.42 -0.10 0.66 0.00 0.00 0.00 173.10 175.61 3df3 s TRP 43 N 0.30 1.22 -0.26 1.90 1.48 -1.26 0.42 118.94 122.74 3df3 s TRP 43 Ca -0.00 -0.77 -0.20 0.00 -1.06 0.00 0.00 56.10 54.07 3df3 s TRP 43 Cb -0.04 -0.63 0.07 0.00 -1.16 0.00 0.00 33.47 31.71 3df3 s TRP 43 CO 0.01 0.06 0.66 0.00 -4.06 0.00 0.00 176.95 173.62 3df3 s ALA 44 N -3.30 -1.70 0.13 2.67 0.00 0.24 -4.82 121.76 114.99 3df3 s ALA 44 Ca 0.16 2.05 0.10 0.00 0.00 0.00 0.00 51.96 54.27 3df3 s ALA 44 Cb 0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3df3 s ALA 44 CO 0.00 -0.34 -0.23 -0.08 0.00 0.00 0.00 175.76 175.12 3df3 s THR 45 N 0.85 2.52 0.05 0.00 -1.32 -1.26 -0.07 115.64 116.41 3df3 s THR 45 Ca -0.04 -1.69 -0.28 0.00 -1.21 0.00 0.00 61.69 58.48 3df3 s THR 45 Cb -0.05 -2.15 -0.14 0.00 -1.51 0.00 0.00 72.50 68.65 3df3 s THR 45 CO -0.07 0.07 1.42 0.00 -2.21 0.00 0.00 174.62 173.83 3df3 h ALA 46 N 3.72 -1.18 -0.82 11.08 0.00 -0.84 -2.96 119.26 128.26 3df3 h ALA 46 Ca -0.50 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.42 3df3 h ALA 46 Cb 1.17 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 3df3 h ALA 46 CO 0.43 -1.15 0.19 0.78 0.00 0.00 0.00 179.25 179.50 3df3 h GLY 47 N -0.91 1.18 -1.80 0.00 0.00 -1.79 0.32 103.07 100.07 3df3 h GLY 47 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3df3 h GLY 47 CO 0.08 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.94 3df3 n GLY 48 N -1.38 1.33 2.51 4.60 0.00 -1.12 -3.36 105.19 107.78 3df3 n GLY 48 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3df3 n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df3 n SER 49 N 0.55 2.94 0.00 1.61 7.64 0.11 -4.82 113.62 121.65 3df3 n SER 49 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 3df3 n SER 49 Cb 0.31 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3df3 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df3 n GLY 50 N -0.63 1.04 3.41 0.23 0.00 -1.21 -5.00 105.19 103.02 3df3 n GLY 50 Ca 0.22 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 3df3 n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df3 n PHE 51 N 0.00 -0.67 -4.50 1.61 1.16 -1.26 -5.00 117.46 108.80 3df3 n PHE 51 Ca 0.00 0.78 -0.24 0.00 -1.87 0.00 0.00 57.45 56.12 3df3 n PHE 51 Cb 0.00 -1.96 -0.11 0.00 -1.61 0.00 0.00 39.48 35.81 3df3 n PHE 51 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3df3 s ARG 52 N -1.19 1.75 1.77 3.97 1.81 -1.26 -4.34 118.95 121.46 3df3 s ARG 52 Ca 0.62 -1.98 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 3df3 s ARG 52 Cb -0.76 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 3df3 s ARG 52 CO 0.59 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 3df3 n GLY 53 N -0.78 2.75 0.33 -3.53 0.00 -1.26 -2.03 105.19 100.67 3df3 n GLY 53 Ca -0.03 -0.02 0.25 0.00 0.00 0.00 0.00 46.02 46.22 3df3 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3df3 h SER 54 N 0.09 0.16 -0.06 1.61 4.64 -1.97 -0.11 113.55 117.91 3df3 h SER 54 Ca 0.00 0.25 -0.21 0.00 -0.47 0.00 0.00 61.79 61.36 3df3 h SER 54 Cb 0.00 0.29 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3df3 h SER 54 CO 0.00 -0.35 -0.74 0.03 -0.87 0.00 0.00 176.83 174.91 3df3 h ARG 55 N 0.07 0.70 0.00 4.77 2.47 -1.78 -3.18 114.38 117.43 3df3 h ARG 55 Ca 0.75 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3df3 h ARG 55 Cb 1.85 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.28 3df3 h ARG 55 CO -0.77 1.17 0.00 1.57 0.56 0.00 0.00 179.97 182.50 3df3 h LYS 56 N 0.49 0.00 -0.63 0.04 2.10 -0.96 -2.95 116.57 114.66 3df3 h LYS 56 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3df3 h LYS 56 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3df3 h LYS 56 CO 0.15 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.05 3df3 n SER 57 N -2.38 5.08 -4.97 7.07 2.88 -0.94 -4.57 113.62 115.79 3df3 n SER 57 Ca 0.03 -2.76 -0.21 0.00 -1.33 0.00 0.00 58.87 54.60 3df3 n SER 57 Cb 0.30 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 63.10 3df3 n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3df3 s THR 58 N -2.44 4.54 0.15 2.46 -4.23 -1.12 -4.67 115.64 110.33 3df3 s THR 58 Ca 0.48 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 60.01 3df3 s THR 58 Cb 0.36 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.58 3df3 s THR 58 CO 0.16 -0.30 1.79 1.55 -0.54 0.00 0.00 174.62 177.28 3df3 h PRO 59 N 0.84 0.49 -0.40 3.99 0.13 -1.90 -2.88 132.00 132.27 3df3 h PRO 59 Ca -0.48 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.70 3df3 h PRO 59 Cb 1.24 -0.11 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 3df3 h PRO 59 CO 0.57 0.34 -0.21 0.35 -0.23 0.00 0.00 178.00 178.82 3df3 h PHE 60 N 0.49 -0.54 -0.96 1.56 -0.00 -1.95 -2.20 116.94 113.35 3df3 h PHE 60 Ca 0.13 0.05 0.18 0.00 -0.00 0.00 0.00 57.97 58.33 3df3 h PHE 60 Cb -0.03 0.30 -0.17 0.00 -0.00 0.00 0.00 35.95 36.04 3df3 h PHE 60 CO -0.05 -0.29 -0.28 0.00 -0.00 0.00 0.00 178.31 177.69 3df3 n ALA 61 N -2.89 0.12 -0.14 2.41 0.00 -1.09 0.07 120.51 119.00 3df3 n ALA 61 Ca 0.02 1.02 -0.04 0.00 0.00 0.00 0.00 53.44 54.44 3df3 n ALA 61 Cb 0.29 -0.57 0.04 0.00 0.00 0.00 0.00 19.45 19.22 3df3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 h ALA 62 N 1.73 0.54 0.46 0.00 0.00 -1.45 -0.51 119.26 120.02 3df3 h ALA 62 Ca 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3df3 h ALA 62 Cb 0.66 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3df3 h ALA 62 CO -0.97 -0.22 -0.31 0.37 0.00 0.00 0.00 179.25 178.12 3df3 h GLN 63 N 0.34 -0.70 -0.91 0.00 4.15 -0.34 1.10 115.11 118.76 3df3 h GLN 63 Ca 0.21 0.05 0.24 0.00 0.77 0.00 0.00 58.65 59.92 3df3 h GLN 63 Cb 0.19 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 3df3 h GLN 63 CO -0.20 -0.46 0.63 -0.24 -1.93 0.00 0.00 178.83 176.62 3df3 h VAL 64 N -0.72 0.59 0.02 2.39 3.04 -1.25 -0.38 116.25 119.93 3df3 h VAL 64 Ca -0.06 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.54 3df3 h VAL 64 Cb 0.59 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3df3 h VAL 64 CO 0.05 0.03 -0.17 0.00 -1.01 0.00 0.00 177.57 176.47 3df3 h ALA 65 N 1.58 -0.00 -0.32 3.17 0.00 -0.70 -3.31 119.26 119.68 3df3 h ALA 65 Ca 0.45 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3df3 h ALA 65 Cb 1.51 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 3df3 h ALA 65 CO -0.09 0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.18 3df3 h ALA 66 N -0.00 0.23 -0.82 0.00 0.00 0.22 -0.16 119.26 118.73 3df3 h ALA 66 Ca -0.03 0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3df3 h ALA 66 Cb 1.11 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3df3 h ALA 66 CO 0.02 -0.45 0.56 1.05 0.00 0.00 0.00 179.25 180.43 3df3 h GLU 67 N 0.02 0.20 0.00 0.00 4.11 -1.26 0.48 114.58 118.13 3df3 h GLU 67 Ca 0.15 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.52 3df3 h GLU 67 Cb 0.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3df3 h GLU 67 CO -0.32 0.13 -0.22 -0.09 0.07 0.00 0.00 179.01 178.58 3df3 h ARG 68 N 0.21 0.00 -0.14 1.06 2.43 -1.11 -2.99 114.38 113.85 3df3 h ARG 68 Ca 0.41 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 3df3 h ARG 68 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3df3 h ARG 68 CO -0.09 0.22 -0.07 0.00 -1.51 0.00 0.00 179.97 178.53 3df3 h ALA 70 N 0.66 2.38 0.00 0.00 0.00 -1.45 -0.25 119.26 120.61 3df3 h ALA 70 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3df3 h ALA 70 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3df3 h ALA 70 CO 0.02 -0.53 0.00 -3.47 0.00 0.00 0.00 179.25 175.27 3df3 n ASP 71 N -4.36 0.00 0.13 0.00 4.64 -1.02 -1.76 116.55 114.17 3df3 n ASP 71 Ca 0.07 -0.11 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 3df3 n ASP 71 Cb 0.51 -0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 3df3 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3df3 n ALA 72 N -0.44 3.00 0.93 -1.67 0.00 -0.12 -4.85 120.51 117.37 3df3 n ALA 72 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3df3 n ALA 72 Cb 0.00 0.04 0.44 0.00 0.00 0.00 0.00 19.45 19.93 3df3 n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3df3 n VAL 73 N -3.47 0.00 0.00 0.00 0.24 -1.14 -2.75 118.33 111.22 3df3 n VAL 73 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 3df3 n VAL 73 Cb 0.00 -0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 31.47 3df3 n VAL 73 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3df3 h LYS 74 N 0.00 0.21 -0.42 7.34 3.64 -1.62 -3.26 116.57 122.46 3df3 h LYS 74 Ca 0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3df3 h LYS 74 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3df3 h LYS 74 CO 0.00 1.17 0.00 -0.85 -2.27 0.00 0.00 179.45 177.50 3df3 n GLU 75 N -4.12 0.53 -0.66 1.90 0.00 -1.11 -2.37 120.64 114.81 3df3 n GLU 75 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 57.16 56.98 3df3 n GLU 75 Cb 0.80 -1.21 0.25 0.00 0.00 0.00 0.00 31.44 31.28 3df3 n GLU 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3df3 n TYR 76 N 0.07 1.28 0.00 -1.84 4.02 -1.23 -1.26 117.16 118.21 3df3 n TYR 76 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 57.90 56.74 3df3 n TYR 76 Cb 0.10 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 3df3 n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df3 n GLY 77 N -0.64 2.06 3.58 2.72 0.00 -1.00 0.15 105.19 112.07 3df3 n GLY 77 Ca 0.29 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.79 3df3 n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df3 n ILE 78 N -1.91 0.22 -0.01 -0.61 2.08 -1.24 -2.70 119.36 115.18 3df3 n ILE 78 Ca 0.00 -0.05 -0.05 0.00 0.56 0.00 0.00 62.75 63.21 3df3 n ILE 78 Cb 0.00 -0.76 -0.02 0.00 -0.75 0.00 0.00 39.64 38.12 3df3 n ILE 78 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3df3 n LYS 79 N 2.26 0.14 -4.31 0.38 4.76 0.37 -4.82 118.16 116.95 3df3 n LYS 79 Ca 0.18 0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.49 3df3 n LYS 79 Cb 0.20 -0.75 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 3df3 n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3df3 s ASN 80 N -5.81 2.40 0.16 4.39 2.20 -1.13 -2.47 114.94 114.69 3df3 s ASN 80 Ca -0.09 -0.95 -0.17 0.00 -0.94 0.00 0.00 52.86 50.71 3df3 s ASN 80 Cb 0.02 -0.11 0.03 0.00 -2.00 0.00 0.00 41.25 39.19 3df3 s ASN 80 CO 0.12 -0.16 0.47 -1.48 -2.94 0.00 0.00 177.10 173.11 3df3 s LEU 81 N -3.03 0.18 0.00 3.54 2.34 -0.75 -2.33 118.68 118.63 3df3 s LEU 81 Ca 0.18 -0.38 0.01 0.00 0.06 0.00 0.00 54.13 54.00 3df3 s LEU 81 Cb -0.02 2.03 0.11 0.00 -0.56 0.00 0.00 46.19 47.75 3df3 s LEU 81 CO 0.05 -0.96 0.76 -0.62 -1.06 0.00 0.00 176.35 174.52 3df3 n GLU 82 N -0.29 0.12 -4.45 1.48 4.71 -0.89 -3.53 120.64 117.78 3df3 n GLU 82 Ca -0.13 -2.14 -0.24 0.00 -0.01 0.00 0.00 57.16 54.65 3df3 n GLU 82 Cb 0.63 -0.48 -0.17 0.00 -1.01 0.00 0.00 31.44 30.42 3df3 n GLU 82 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3df3 s VAL 83 N -2.28 1.00 -0.40 2.62 1.01 -0.32 -1.59 120.40 120.43 3df3 s VAL 83 Ca 0.51 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3df3 s VAL 83 Cb -0.03 -0.93 0.12 0.00 0.00 0.00 0.00 36.38 35.53 3df3 s VAL 83 CO 0.34 0.33 0.16 -0.04 0.00 0.00 0.00 175.10 175.88 3df3 s MET 84 N 0.79 1.41 -0.14 2.72 -1.94 0.17 -0.21 119.30 122.10 3df3 s MET 84 Ca -0.13 -1.94 -0.06 0.00 -1.71 0.00 0.00 55.69 51.85 3df3 s MET 84 Cb -0.15 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 3df3 s MET 84 CO 0.02 -1.05 0.08 0.08 -0.01 0.00 0.00 175.02 174.15 3df3 s VAL 85 N 0.60 5.01 -0.10 -6.03 1.01 0.08 -0.94 120.40 120.03 3df3 s VAL 85 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3df3 s VAL 85 Cb -0.22 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 32.99 3df3 s VAL 85 CO -0.07 0.55 0.25 -1.59 0.00 0.00 0.00 175.10 174.24 3df3 s LYS 86 N -0.45 0.28 0.00 2.72 -2.85 -1.13 0.12 119.74 118.43 3df3 s LYS 86 Ca 0.10 0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 3df3 s LYS 86 Cb -0.12 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 3df3 s LYS 86 CO 0.02 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.81 3df3 n GLY 87 N 3.24 -0.69 0.00 0.59 0.00 -1.26 -3.08 105.19 103.99 3df3 n GLY 87 Ca -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3df3 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3df3 n PRO 88 N -0.27 2.41 -1.05 1.61 -0.04 -1.21 -4.68 135.00 131.76 3df3 n PRO 88 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3df3 n PRO 88 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3df3 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df3 n GLY 89 N 4.95 -2.92 3.51 0.55 0.00 -1.26 -4.31 105.19 105.72 3df3 n GLY 89 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3df3 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df3 s PRO 90 N -3.57 -1.76 0.00 1.61 0.04 -1.26 -3.52 135.00 126.55 3df3 s PRO 90 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3df3 s PRO 90 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 3df3 s PRO 90 CO 0.00 -4.07 0.00 0.41 0.04 0.00 0.00 177.00 173.38 3df3 n GLY 91 N -0.30 1.61 0.40 0.56 0.00 -1.26 -4.70 105.19 101.50 3df3 n GLY 91 Ca 0.13 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.42 3df3 n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3df3 h ARG 92 N 0.00 0.28 0.00 1.61 2.43 -1.81 0.46 114.38 117.34 3df3 h ARG 92 Ca 0.00 -0.02 -0.40 0.00 -0.81 0.00 0.00 59.98 58.75 3df3 h ARG 92 Cb 0.00 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 3df3 h ARG 92 CO 0.00 0.18 -2.43 -1.91 -1.51 0.00 0.00 179.97 174.31 3df3 n GLU 93 N -4.78 0.59 0.01 0.20 2.13 -1.26 -4.60 120.64 112.92 3df3 n GLU 93 Ca 0.31 0.18 -0.12 0.00 0.66 0.00 0.00 57.16 58.19 3df3 n GLU 93 Cb 1.07 -1.47 -0.05 0.00 0.27 0.00 0.00 31.44 31.26 3df3 n GLU 93 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3df3 h SER 94 N -0.37 -1.18 -0.86 4.31 0.87 -1.70 -2.47 113.55 112.14 3df3 h SER 94 Ca -0.60 0.16 0.27 0.00 -1.23 0.00 0.00 61.79 60.39 3df3 h SER 94 Cb 1.75 0.48 -0.16 0.00 -0.44 0.00 0.00 62.40 64.03 3df3 h SER 94 CO -0.21 -0.41 0.12 1.07 -0.53 0.00 0.00 176.83 176.87 3df3 n THR 95 N -5.43 -0.36 0.14 2.23 5.66 0.15 -1.40 114.28 115.27 3df3 n THR 95 Ca -0.04 1.87 -0.07 0.00 -3.05 0.00 0.00 64.05 62.76 3df3 n THR 95 Cb 0.35 -2.79 -0.03 0.00 -1.55 0.00 0.00 70.33 66.30 3df3 n THR 95 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3df3 h ILE 96 N 0.00 0.00 -0.98 1.09 2.04 -1.65 -2.90 117.51 115.11 3df3 h ILE 96 Ca 0.57 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.74 3df3 h ILE 96 Cb 1.28 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.18 3df3 h ILE 96 CO -0.78 0.00 0.17 0.54 0.00 0.00 0.00 178.15 178.09 3df3 n ARG 97 N -3.31 -0.07 0.10 2.37 1.74 -0.49 -0.07 116.66 116.92 3df3 n ARG 97 Ca -0.05 1.43 -0.16 0.00 -0.77 0.00 0.00 57.85 58.30 3df3 n ARG 97 Cb 0.17 -2.36 -0.10 0.00 -1.02 0.00 0.00 32.46 29.15 3df3 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df3 h ALA 98 N 1.95 -0.99 0.32 7.54 0.00 -1.29 0.54 119.26 127.33 3df3 h ALA 98 Ca 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 3df3 h ALA 98 Cb 1.52 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.23 3df3 h ALA 98 CO -0.87 -1.13 -0.16 -0.07 0.00 0.00 0.00 179.25 177.02 3df3 h LEU 99 N -0.74 -0.37 -1.76 0.00 4.07 -0.60 0.51 115.31 116.41 3df3 h LEU 99 Ca -0.00 -0.13 0.31 0.00 0.08 0.00 0.00 57.88 58.14 3df3 h LEU 99 Cb 0.76 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.53 3df3 h LEU 99 CO -0.30 -0.07 0.77 -1.13 -1.08 0.00 0.00 178.44 176.63 3df3 h ASN 100 N -0.68 0.16 0.26 -0.43 -0.73 -0.33 0.47 115.58 114.31 3df3 h ASN 100 Ca -0.04 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.16 3df3 h ASN 100 Cb 0.47 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.07 3df3 h ASN 100 CO 0.07 0.03 -1.42 0.00 -0.37 0.00 0.00 177.43 175.74 3df3 n ALA 101 N -2.66 3.25 0.86 1.57 0.00 0.19 -4.22 120.51 119.50 3df3 n ALA 101 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3df3 n ALA 101 Cb 1.10 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3df3 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 n ALA 102 N -2.00 2.32 0.00 0.00 0.00 0.18 -4.78 120.51 116.22 3df3 n ALA 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df3 n ALA 102 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3df3 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 103 N 0.26 2.61 3.53 0.00 0.00 -1.22 -4.97 105.19 105.39 3df3 n GLY 103 Ca 0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 3df3 n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df3 n PHE 104 N 0.00 1.83 -1.91 1.61 3.72 -1.17 -4.87 117.46 116.67 3df3 n PHE 104 Ca 0.00 0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 3df3 n PHE 104 Cb 0.00 -2.60 -0.03 0.00 -0.94 0.00 0.00 39.48 35.91 3df3 n PHE 104 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3df3 s ARG 105 N 5.83 4.19 0.74 -1.08 3.52 -1.03 -4.30 118.95 126.82 3df3 s ARG 105 Ca 1.04 2.35 -0.13 0.00 -0.13 0.00 0.00 55.73 58.87 3df3 s ARG 105 Cb -0.70 -3.71 0.17 0.00 -1.56 0.00 0.00 34.95 29.15 3df3 s ARG 105 CO 0.46 -0.78 0.98 1.51 -0.81 0.00 0.00 175.30 176.67 3df3 n ILE 106 N 4.92 0.00 0.00 4.11 0.13 -1.26 -1.81 119.36 125.45 3df3 n ILE 106 Ca 0.17 -0.70 0.00 0.00 -1.10 0.00 0.00 62.75 61.11 3df3 n ILE 106 Cb 0.41 -1.60 0.00 0.00 -0.84 0.00 0.00 39.64 37.61 3df3 n ILE 106 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3df3 n THR 107 N -3.44 0.00 -3.95 9.51 -2.24 -1.23 -4.72 114.28 108.21 3df3 n THR 107 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 3df3 n THR 107 Cb 0.43 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 3df3 n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3df3 s ASN 108 N 1.11 3.32 -0.18 3.42 -0.87 -1.26 -5.05 114.94 115.44 3df3 s ASN 108 Ca 0.00 -0.88 -0.16 0.00 -1.57 0.00 0.00 52.86 50.25 3df3 s ASN 108 Cb 0.00 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.25 40.07 3df3 s ASN 108 CO 0.00 -0.18 0.40 -0.63 -2.57 0.00 0.00 177.10 174.13 3df3 s ILE 109 N 1.47 5.21 -0.01 0.60 1.01 -1.26 -1.17 121.20 127.05 3df3 s ILE 109 Ca -0.02 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.41 3df3 s ILE 109 Cb -0.16 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3df3 s ILE 109 CO -0.08 0.29 -0.10 -0.89 0.00 0.00 0.00 174.94 174.16 3df3 s THR 110 N 1.04 0.76 -0.70 2.92 2.01 0.71 -4.94 115.64 117.44 3df3 s THR 110 Ca 0.20 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 3df3 s THR 110 Cb -0.15 -0.64 0.17 0.00 0.01 0.00 0.00 72.50 71.89 3df3 s THR 110 CO 0.08 0.22 0.67 -0.62 -0.69 0.00 0.00 174.62 174.28 3df3 s ASP 111 N -0.20 6.48 0.00 3.53 2.15 -1.26 -0.74 116.67 126.63 3df3 s ASP 111 Ca 0.03 -2.19 0.06 0.00 0.43 0.00 0.00 52.55 50.88 3df3 s ASP 111 Cb -0.04 -2.23 0.35 0.00 -0.30 0.00 0.00 42.92 40.70 3df3 s ASP 111 CO -0.00 -0.76 1.13 1.33 -0.17 0.00 0.00 175.17 176.69 3df3 n VAL 112 N 4.69 0.00 -1.70 1.11 0.24 0.32 -4.88 118.33 118.11 3df3 n VAL 112 Ca 0.01 0.00 -0.56 0.00 -2.04 0.00 0.00 64.34 61.75 3df3 n VAL 112 Cb 0.44 -0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 3df3 n VAL 112 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3df3 n THR 113 N -0.60 0.31 -2.08 3.34 -1.04 -1.02 -4.81 114.28 108.38 3df3 n THR 113 Ca 0.04 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 3df3 n THR 113 Cb 0.02 -1.28 -0.00 0.00 -1.82 0.00 0.00 70.33 67.25 3df3 n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3df3 s PRO 114 N 3.33 3.82 -0.33 -2.82 0.04 -1.26 -4.91 135.00 132.87 3df3 s PRO 114 Ca 0.96 2.05 0.00 0.00 0.04 0.00 0.00 61.00 64.06 3df3 s PRO 114 Cb -1.01 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 31.06 3df3 s PRO 114 CO 0.62 -0.58 0.27 0.96 0.04 0.00 0.00 177.00 178.31 3df3 s ILE 115 N -1.34 -0.18 0.14 0.56 -5.25 -1.26 -4.99 121.20 108.88 3df3 s ILE 115 Ca 0.60 -1.02 -0.31 0.00 -0.99 0.00 0.00 60.65 58.93 3df3 s ILE 115 Cb -0.36 -0.92 -0.08 0.00 2.95 0.00 0.00 42.46 44.05 3df3 s ILE 115 CO 0.45 -0.69 1.39 -2.16 -1.79 0.00 0.00 174.94 172.13 3df3 s PRO 116 N 1.68 4.32 -0.00 0.37 0.04 -1.26 -4.89 135.00 135.26 3df3 s PRO 116 Ca 0.14 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 3df3 s PRO 116 Cb -0.17 -3.23 -0.24 0.00 0.04 0.00 0.00 34.50 30.90 3df3 s PRO 116 CO -0.15 -0.41 3.44 0.72 0.04 0.00 0.00 177.00 180.64 3df3 n HIS 117 N 3.67 0.01 -2.24 0.56 8.25 -1.26 -4.69 115.22 119.51 3df3 n HIS 117 Ca 0.10 -1.45 -0.01 0.00 -0.26 0.00 0.00 57.72 56.10 3df3 n HIS 117 Cb 0.42 -1.48 -0.01 0.00 1.12 0.00 0.00 29.99 30.04 3df3 n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3df3 n ASN 118 N 2.38 -3.92 0.04 0.41 5.03 -1.26 -5.06 115.26 112.87 3df3 n ASN 118 Ca 0.38 0.90 0.00 0.00 0.87 0.00 0.00 54.58 56.73 3df3 n ASN 118 Cb 0.87 -3.75 0.00 0.00 -1.02 0.00 0.00 39.78 35.88 3df3 n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3df3 n GLY 119 N 0.70 -0.23 3.87 7.41 0.00 -1.26 -5.12 105.19 110.56 3df3 n GLY 119 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3df3 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 s ARG 121 N -3.16 3.39 0.76 0.00 3.52 -1.26 -5.07 118.95 117.13 3df3 s ARG 121 Ca 0.50 -0.59 -0.15 0.00 -0.13 0.00 0.00 55.73 55.36 3df3 s ARG 121 Cb -0.11 -3.86 0.05 0.00 -1.56 0.00 0.00 34.95 29.48 3df3 s ARG 121 CO 0.23 -0.61 1.19 -0.35 -0.81 0.00 0.00 175.30 174.95 3df3 n PRO 122 N 5.37 0.43 -2.32 5.12 -0.04 -1.26 -4.96 135.00 137.34 3df3 n PRO 122 Ca -0.09 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.21 3df3 n PRO 122 Cb 0.49 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 3df3 n PRO 122 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3df3 s PRO 123 N -3.84 3.89 0.00 0.54 0.04 -1.26 -5.02 135.00 129.35 3df3 s PRO 123 Ca 0.75 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3df3 s PRO 123 Cb -0.32 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.74 3df3 s PRO 123 CO 0.48 -0.44 0.20 1.63 0.04 0.00 0.00 177.00 178.92 3df3 n LYS 124 N -0.31 0.00 0.00 4.56 4.76 -1.26 -4.92 118.16 120.99 3df3 n LYS 124 Ca 0.06 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3df3 n LYS 124 Cb 0.48 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 3df3 n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3df3 n LYS 125 N -0.24 0.00 -2.47 1.97 5.02 -1.26 -4.92 118.16 116.26 3df3 n LYS 125 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3df3 n LYS 125 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3df3 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df3 n ARG 126 N -0.64 -0.64 -2.77 1.97 5.12 -1.26 -4.98 116.66 113.46 3df3 n ARG 126 Ca 0.00 0.79 -0.09 0.00 -1.93 0.00 0.00 57.85 56.62 3df3 n ARG 126 Cb 0.00 -0.69 0.06 0.00 -1.16 0.00 0.00 32.46 30.67 3df3 n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df3 n ARG 127 N 1.70 0.85 0.00 5.56 0.00 -1.26 -5.27 116.66 118.24 3df3 n ARG 127 Ca 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 57.85 55.99 3df3 n ARG 127 Cb 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3df3 n ARG 127 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96