#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 n LYS 13 N 0.00 2.05 -2.82 2.89 5.02 -1.26 -5.10 118.16 118.93 3df1 n LYS 13 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3df1 n LYS 13 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 3df1 n LYS 13 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3df1 n GLN 14 N -0.10 -2.86 0.01 1.97 1.13 -1.12 -4.93 117.38 111.49 3df1 n GLN 14 Ca 0.00 2.39 0.11 0.00 -1.94 0.00 0.00 57.00 57.56 3df1 n GLN 14 Cb 0.00 -4.58 0.06 0.00 0.11 0.00 0.00 30.24 25.83 3df1 n GLN 14 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3df1 n VAL 15 N 0.75 0.08 0.00 5.09 0.31 0.45 -4.83 118.33 120.19 3df1 n VAL 15 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3df1 n VAL 15 Cb 0.13 0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3df1 n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3df1 n SER 16 N -1.73 0.00 -3.64 4.52 7.64 -1.09 -4.77 113.62 114.55 3df1 n SER 16 Ca 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 3df1 n SER 16 Cb 0.38 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 3df1 n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3df1 s ASP 17 N -1.27 -0.07 0.00 6.43 -4.77 -1.26 0.13 116.67 115.87 3df1 s ASP 17 Ca 0.00 0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 3df1 s ASP 17 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.88 3df1 s ASP 17 CO 0.00 -0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.42 3df1 n GLY 18 N 0.52 3.70 3.22 2.12 0.00 -0.99 -4.48 105.19 109.28 3df1 n GLY 18 Ca -0.01 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 3df1 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df1 s VAL 19 N -0.57 1.23 -0.22 1.61 -7.23 0.33 -2.18 120.40 113.38 3df1 s VAL 19 Ca 0.00 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3df1 s VAL 19 Cb 0.00 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.53 3df1 s VAL 19 CO 0.00 -0.41 -0.11 0.00 -0.31 0.00 0.00 175.10 174.27 3df1 s ALA 20 N -2.04 2.58 -0.12 1.32 0.00 -0.73 -0.80 121.76 121.96 3df1 s ALA 20 Ca 0.06 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 3df1 s ALA 20 Cb -0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3df1 s ALA 20 CO 0.02 -0.57 0.17 -1.01 0.00 0.00 0.00 175.76 174.38 3df1 s HIS 21 N 1.33 3.57 -0.16 0.00 3.76 -0.52 0.57 115.29 123.84 3df1 s HIS 21 Ca 0.03 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.47 3df1 s HIS 21 Cb -0.15 -2.03 0.05 0.00 1.11 0.00 0.00 32.58 31.55 3df1 s HIS 21 CO -0.07 0.63 -0.01 0.42 -0.85 0.00 0.00 174.74 174.85 3df1 s ILE 22 N -0.72 0.76 -1.09 0.60 1.09 0.05 -1.14 121.20 120.74 3df1 s ILE 22 Ca 0.15 -0.46 -0.05 0.00 -1.10 0.00 0.00 60.65 59.19 3df1 s ILE 22 Cb -0.12 -1.05 0.30 0.00 -1.06 0.00 0.00 42.46 40.53 3df1 s ILE 22 CO 0.04 0.03 1.41 1.57 -0.10 0.00 0.00 174.94 177.89 3df1 n HIS 23 N 4.99 2.89 -2.14 3.97 -0.00 -0.53 -2.79 115.22 121.60 3df1 n HIS 23 Ca -0.10 -2.86 -0.30 0.00 0.46 0.00 0.00 57.72 54.93 3df1 n HIS 23 Cb 0.48 -1.36 -0.05 0.00 -0.12 0.00 0.00 29.99 28.94 3df1 n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3df1 s ALA 24 N -2.46 1.90 0.65 1.57 0.00 -1.18 -3.60 121.76 118.64 3df1 s ALA 24 Ca 0.31 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 3df1 s ALA 24 Cb 0.02 -4.58 0.04 0.00 0.00 0.00 0.00 23.12 18.60 3df1 s ALA 24 CO 0.07 -4.68 0.95 -1.54 0.00 0.00 0.00 175.76 170.56 3df1 s SER 25 N 7.15 5.10 0.34 0.00 1.04 0.27 -3.34 113.70 124.27 3df1 s SER 25 Ca 0.66 0.47 0.26 0.00 0.48 0.00 0.00 55.95 57.82 3df1 s SER 25 Cb -0.04 -1.25 1.12 0.00 0.10 0.00 0.00 66.02 65.95 3df1 s SER 25 CO 0.01 -1.38 1.79 -0.26 0.98 0.00 0.00 173.24 174.38 3df1 h PHE 26 N -0.38 0.00 0.00 5.02 0.04 -1.93 -3.25 116.94 116.44 3df1 h PHE 26 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3df1 h PHE 26 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3df1 h PHE 26 CO 0.38 0.00 -1.00 0.09 -0.60 0.00 0.00 178.31 177.18 3df1 n ASN 27 N -2.46 3.95 -3.50 2.17 3.02 -1.26 -4.94 115.26 112.23 3df1 n ASN 27 Ca 0.01 -0.06 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 3df1 n ASN 27 Cb 0.23 1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 40.47 3df1 n ASN 27 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3df1 s ASN 28 N -2.17 -0.45 -0.01 6.41 3.04 -1.23 -4.12 114.94 116.42 3df1 s ASN 28 Ca -0.01 -0.08 0.03 0.00 0.04 0.00 0.00 52.86 52.84 3df1 s ASN 28 Cb 0.02 0.55 -0.00 0.00 -1.54 0.00 0.00 41.25 40.27 3df1 s ASN 28 CO 0.10 -0.91 -0.09 -0.89 -3.04 0.00 0.00 177.10 172.28 3df1 s THR 29 N -3.64 0.70 0.01 -5.21 2.01 -1.26 -0.57 115.64 107.69 3df1 s THR 29 Ca 0.01 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3df1 s THR 29 Cb -0.00 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 3df1 s THR 29 CO -0.12 0.20 -0.03 0.27 -0.69 0.00 0.00 174.62 174.26 3df1 s ILE 30 N -0.12 0.22 -0.15 1.82 -4.36 -1.24 -0.22 121.20 117.16 3df1 s ILE 30 Ca 0.02 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.05 3df1 s ILE 30 Cb -0.04 -0.24 0.01 0.00 1.25 0.00 0.00 42.46 43.43 3df1 s ILE 30 CO -0.00 -0.10 -0.21 0.68 0.24 0.00 0.00 174.94 175.54 3df1 s VAL 31 N -0.48 2.12 -0.25 8.37 -7.23 0.96 -1.46 120.40 122.42 3df1 s VAL 31 Ca -0.04 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3df1 s VAL 31 Cb -0.04 -1.85 0.07 0.00 0.56 0.00 0.00 36.38 35.12 3df1 s VAL 31 CO -0.00 0.55 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.39 3df1 s THR 32 N 0.86 1.73 -0.10 5.32 2.01 -0.29 -0.58 115.64 124.59 3df1 s THR 32 Ca -0.06 -1.44 -0.20 0.00 0.31 0.00 0.00 61.69 60.30 3df1 s THR 32 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3df1 s THR 32 CO -0.03 -0.15 0.57 -0.63 -0.69 0.00 0.00 174.62 173.69 3df1 s ILE 33 N 1.28 5.12 0.04 1.82 -1.09 0.14 -1.45 121.20 127.07 3df1 s ILE 33 Ca -0.05 1.16 -0.08 0.00 -2.23 0.00 0.00 60.65 59.45 3df1 s ILE 33 Cb -0.19 -3.91 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3df1 s ILE 33 CO -0.07 0.28 0.16 0.28 -1.23 0.00 0.00 174.94 174.36 3df1 s THR 34 N 0.79 0.12 0.87 2.92 -1.32 0.02 -0.51 115.64 118.53 3df1 s THR 34 Ca 0.31 -0.97 -0.11 0.00 -1.21 0.00 0.00 61.69 59.70 3df1 s THR 34 Cb -0.16 -0.90 0.12 0.00 -1.51 0.00 0.00 72.50 70.04 3df1 s THR 34 CO 0.13 -0.54 1.17 1.51 -2.21 0.00 0.00 174.62 174.69 3df1 s ASP 35 N -2.10 3.24 0.58 8.08 1.47 -1.19 0.12 116.67 126.87 3df1 s ASP 35 Ca -0.05 2.25 0.31 0.00 1.18 0.00 0.00 52.55 56.24 3df1 s ASP 35 Cb -0.01 -2.57 1.41 0.00 -0.34 0.00 0.00 42.92 41.41 3df1 s ASP 35 CO -0.04 -2.89 1.78 0.03 0.68 0.00 0.00 175.17 174.72 3df1 h ARG 36 N -1.46 0.00 -0.91 2.11 3.08 -1.85 0.32 114.38 115.68 3df1 h ARG 36 Ca -0.44 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.61 3df1 h ARG 36 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3df1 h ARG 36 CO 0.44 0.00 0.59 1.96 -1.07 0.00 0.00 179.97 181.89 3df1 h GLN 37 N 0.00 1.21 0.00 0.04 1.08 -1.97 -3.46 115.11 112.01 3df1 h GLN 37 Ca 0.37 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3df1 h GLN 37 Cb 1.79 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 3df1 h GLN 37 CO -0.00 0.81 0.00 0.41 -0.95 0.00 0.00 178.83 179.09 3df1 n GLY 38 N -1.33 1.62 3.52 3.46 0.00 0.11 -5.09 105.19 107.48 3df1 n GLY 38 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3df1 n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df1 s ASN 39 N -2.00 6.35 -0.42 1.61 0.01 -1.25 -4.92 114.94 114.32 3df1 s ASN 39 Ca 0.00 -0.27 -0.43 0.00 -0.71 0.00 0.00 52.86 51.45 3df1 s ASN 39 Cb 0.00 -2.34 -0.17 0.00 0.41 0.00 0.00 41.25 39.15 3df1 s ASN 39 CO 0.00 -0.83 1.89 0.00 -1.51 0.00 0.00 177.10 176.65 3df1 n ALA 40 N 6.41 -0.22 -0.11 0.60 0.00 -1.26 -3.15 120.51 122.78 3df1 n ALA 40 Ca -0.00 0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 3df1 n ALA 40 Cb 0.48 -2.14 -0.11 0.00 0.00 0.00 0.00 19.45 17.68 3df1 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df1 n LEU 41 N 6.29 1.88 -3.66 0.00 4.77 0.34 -4.95 117.00 121.68 3df1 n LEU 41 Ca 0.39 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3df1 n LEU 41 Cb 0.04 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 3df1 n LEU 41 CO 0.85 0.31 0.33 -0.83 -1.33 0.00 0.00 177.39 176.72 3df1 s GLY 42 N -5.00 -0.48 0.16 -0.72 0.00 0.04 -4.82 107.32 96.50 3df1 s GLY 42 Ca -0.31 1.82 0.05 0.00 0.00 0.00 0.00 44.72 46.29 3df1 s GLY 42 CO 0.54 1.59 -0.10 0.66 0.00 0.00 0.00 173.10 175.79 3df1 s TRP 43 N 0.42 1.36 -0.26 1.90 1.48 -1.26 0.26 118.94 122.84 3df1 s TRP 43 Ca -0.01 -0.73 -0.20 0.00 -1.06 0.00 0.00 56.10 54.10 3df1 s TRP 43 Cb -0.05 -0.68 0.07 0.00 -1.16 0.00 0.00 33.47 31.65 3df1 s TRP 43 CO -0.00 0.13 0.67 0.00 -4.06 0.00 0.00 176.95 173.68 3df1 s ALA 44 N -3.27 -1.71 0.14 2.67 0.00 0.26 -4.81 121.76 115.04 3df1 s ALA 44 Ca 0.18 2.07 0.10 0.00 0.00 0.00 0.00 51.96 54.32 3df1 s ALA 44 Cb 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3df1 s ALA 44 CO 0.02 -0.34 -0.23 -0.08 0.00 0.00 0.00 175.76 175.13 3df1 s THR 45 N 0.85 2.46 0.04 0.00 -1.32 -1.26 -0.03 115.64 116.39 3df1 s THR 45 Ca -0.04 -1.74 -0.23 0.00 -1.21 0.00 0.00 61.69 58.47 3df1 s THR 45 Cb -0.05 -2.12 -0.12 0.00 -1.51 0.00 0.00 72.50 68.69 3df1 s THR 45 CO -0.07 0.05 1.35 0.00 -2.21 0.00 0.00 174.62 173.74 3df1 h ALA 46 N 3.69 -1.15 -0.80 11.08 0.00 -0.89 -3.02 119.26 128.16 3df1 h ALA 46 Ca -0.50 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.44 3df1 h ALA 46 Cb 1.18 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 19.24 3df1 h ALA 46 CO 0.43 -1.11 0.06 0.78 0.00 0.00 0.00 179.25 179.41 3df1 h GLY 47 N -0.77 1.00 -1.72 0.00 0.00 -1.80 0.40 103.07 100.18 3df1 h GLY 47 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3df1 h GLY 47 CO 0.08 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.91 3df1 n GLY 48 N -1.42 1.16 2.47 4.60 0.00 -1.15 -3.26 105.19 107.60 3df1 n GLY 48 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3df1 n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df1 n SER 49 N 0.55 3.08 0.00 1.61 7.64 0.14 -4.83 113.62 121.82 3df1 n SER 49 Ca 0.00 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.08 3df1 n SER 49 Cb 0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3df1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df1 n GLY 50 N -0.65 0.98 3.45 0.23 0.00 -1.20 -5.00 105.19 103.00 3df1 n GLY 50 Ca 0.24 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 3df1 n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df1 n PHE 51 N 0.00 -0.28 -4.51 1.61 1.16 -1.26 -5.00 117.46 109.17 3df1 n PHE 51 Ca 0.00 0.75 -0.24 0.00 -1.87 0.00 0.00 57.45 56.09 3df1 n PHE 51 Cb 0.00 -2.01 -0.10 0.00 -1.61 0.00 0.00 39.48 35.75 3df1 n PHE 51 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3df1 s ARG 52 N -1.32 1.77 1.86 3.97 1.81 -1.26 -4.33 118.95 121.44 3df1 s ARG 52 Ca 0.62 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 3df1 s ARG 52 Cb -0.73 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 3df1 s ARG 52 CO 0.58 -0.18 0.00 0.41 -0.68 0.00 0.00 175.30 175.43 3df1 n GLY 53 N -0.80 2.70 0.33 -3.53 0.00 -1.26 -2.01 105.19 100.62 3df1 n GLY 53 Ca -0.04 -0.04 0.27 0.00 0.00 0.00 0.00 46.02 46.22 3df1 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3df1 h SER 54 N 0.22 0.31 0.06 1.61 4.64 -1.97 -0.06 113.55 118.37 3df1 h SER 54 Ca 0.00 0.24 -0.21 0.00 -0.47 0.00 0.00 61.79 61.34 3df1 h SER 54 Cb 0.00 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3df1 h SER 54 CO 0.00 -0.32 -0.80 0.03 -0.87 0.00 0.00 176.83 174.87 3df1 h ARG 55 N 0.12 0.60 0.00 4.77 2.47 -1.78 -3.20 114.38 117.37 3df1 h ARG 55 Ca 0.78 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 3df1 h ARG 55 Cb 1.94 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 3df1 h ARG 55 CO -0.72 1.14 0.00 1.57 0.56 0.00 0.00 179.97 182.52 3df1 h LYS 56 N 0.40 0.00 -0.64 0.04 2.10 -0.94 -3.00 116.57 114.53 3df1 h LYS 56 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3df1 h LYS 56 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3df1 h LYS 56 CO 0.15 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.05 3df1 n SER 57 N -2.38 4.72 -4.96 7.07 2.88 -0.95 -4.57 113.62 115.43 3df1 n SER 57 Ca 0.03 -2.60 -0.22 0.00 -1.33 0.00 0.00 58.87 54.75 3df1 n SER 57 Cb 0.32 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 3df1 n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3df1 s THR 58 N -2.17 4.40 0.14 2.46 -4.23 -1.13 -4.66 115.64 110.44 3df1 s THR 58 Ca 0.47 -0.67 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 3df1 s THR 58 Cb 0.33 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 3df1 s THR 58 CO 0.18 -0.34 1.78 1.55 -0.54 0.00 0.00 174.62 177.26 3df1 h PRO 59 N 0.69 0.41 -0.43 3.99 0.13 -1.90 -2.89 132.00 132.00 3df1 h PRO 59 Ca -0.47 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 3df1 h PRO 59 Cb 1.24 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 3df1 h PRO 59 CO 0.57 0.29 -0.21 0.35 -0.23 0.00 0.00 178.00 178.77 3df1 h PHE 60 N 0.41 -0.54 -0.98 1.56 -0.00 -1.95 -1.95 116.94 113.48 3df1 h PHE 60 Ca 0.11 0.05 0.21 0.00 -0.00 0.00 0.00 57.97 58.34 3df1 h PHE 60 Cb -0.03 0.30 -0.19 0.00 -0.00 0.00 0.00 35.95 36.04 3df1 h PHE 60 CO -0.05 -0.29 -0.19 0.00 -0.00 0.00 0.00 178.31 177.77 3df1 n ALA 61 N -2.91 0.29 -0.13 2.41 0.00 -1.09 0.07 120.51 119.15 3df1 n ALA 61 Ca 0.03 1.08 -0.06 0.00 0.00 0.00 0.00 53.44 54.48 3df1 n ALA 61 Cb 0.30 -0.67 0.02 0.00 0.00 0.00 0.00 19.45 19.10 3df1 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 h ALA 62 N 1.97 0.51 0.46 0.00 0.00 -1.41 -0.99 119.26 119.80 3df1 h ALA 62 Ca 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 3df1 h ALA 62 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3df1 h ALA 62 CO -1.00 -0.14 -0.28 0.37 0.00 0.00 0.00 179.25 178.20 3df1 h GLN 63 N 0.43 -0.67 -0.97 0.00 4.15 -0.32 0.97 115.11 118.70 3df1 h GLN 63 Ca 0.17 0.05 0.26 0.00 0.77 0.00 0.00 58.65 59.90 3df1 h GLN 63 Cb 0.06 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 3df1 h GLN 63 CO -0.11 -0.44 0.67 -0.24 -1.93 0.00 0.00 178.83 176.78 3df1 h VAL 64 N -0.69 0.55 0.03 2.39 3.04 -1.30 -0.23 116.25 120.03 3df1 h VAL 64 Ca -0.06 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.53 3df1 h VAL 64 Cb 0.55 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3df1 h VAL 64 CO 0.06 0.03 -0.17 0.00 -1.01 0.00 0.00 177.57 176.48 3df1 h ALA 65 N 1.55 -0.02 -0.38 3.17 0.00 -0.83 -3.30 119.26 119.45 3df1 h ALA 65 Ca 0.49 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3df1 h ALA 65 Cb 1.64 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 3df1 h ALA 65 CO -0.10 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.25 3df1 h ALA 66 N 0.01 0.36 -0.68 0.00 0.00 0.21 -0.08 119.26 119.08 3df1 h ALA 66 Ca -0.03 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.16 3df1 h ALA 66 Cb 1.13 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3df1 h ALA 66 CO 0.03 -0.38 0.48 1.05 0.00 0.00 0.00 179.25 180.42 3df1 h GLU 67 N 0.12 0.13 0.00 0.00 4.11 -1.24 0.41 114.58 118.11 3df1 h GLU 67 Ca 0.18 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.56 3df1 h GLU 67 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3df1 h GLU 67 CO -0.29 0.08 -0.20 -0.09 0.07 0.00 0.00 179.01 178.58 3df1 h ARG 68 N 0.13 0.00 -0.19 1.06 2.43 -1.09 -3.02 114.38 113.70 3df1 h ARG 68 Ca 0.33 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 3df1 h ARG 68 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3df1 h ARG 68 CO -0.04 0.20 -0.18 0.00 -1.51 0.00 0.00 179.97 178.44 3df1 h ALA 70 N 0.65 2.03 0.00 0.00 0.00 -1.45 -0.86 119.26 119.63 3df1 h ALA 70 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3df1 h ALA 70 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3df1 h ALA 70 CO 0.05 -0.25 0.00 -3.47 0.00 0.00 0.00 179.25 175.58 3df1 n ASP 71 N -4.23 0.01 0.12 0.00 4.64 -1.04 -1.82 116.55 114.22 3df1 n ASP 71 Ca 0.02 -0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 3df1 n ASP 71 Cb 0.29 -0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.36 3df1 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3df1 n ALA 72 N -0.43 3.00 0.97 -1.67 0.00 -0.34 -4.85 120.51 117.19 3df1 n ALA 72 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3df1 n ALA 72 Cb 0.00 0.04 0.46 0.00 0.00 0.00 0.00 19.45 19.95 3df1 n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3df1 n VAL 73 N -3.37 0.02 0.02 0.00 0.24 -1.13 -2.77 118.33 111.34 3df1 n VAL 73 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 3df1 n VAL 73 Cb 0.01 -0.76 -0.14 0.00 -1.47 0.00 0.00 33.84 31.48 3df1 n VAL 73 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3df1 h LYS 74 N 0.00 0.25 -0.57 7.34 3.64 -1.64 -3.26 116.57 122.33 3df1 h LYS 74 Ca 0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3df1 h LYS 74 Cb 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3df1 h LYS 74 CO 0.00 1.20 0.00 -0.85 -2.27 0.00 0.00 179.45 177.53 3df1 n GLU 75 N -4.05 0.60 -0.59 1.90 0.00 -1.11 -2.48 120.64 114.91 3df1 n GLU 75 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 57.16 56.99 3df1 n GLU 75 Cb 0.85 -1.28 0.24 0.00 0.00 0.00 0.00 31.44 31.24 3df1 n GLU 75 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3df1 n TYR 76 N 0.16 1.09 0.00 -1.84 4.02 -1.23 -1.06 117.16 118.30 3df1 n TYR 76 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 57.90 56.77 3df1 n TYR 76 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 3df1 n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df1 n GLY 77 N -0.70 2.17 3.57 2.72 0.00 -1.03 0.17 105.19 112.08 3df1 n GLY 77 Ca 0.26 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.77 3df1 n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df1 n ILE 78 N -1.89 0.44 -0.01 -0.61 2.08 -1.25 -2.68 119.36 115.44 3df1 n ILE 78 Ca 0.00 -0.11 -0.04 0.00 0.56 0.00 0.00 62.75 63.16 3df1 n ILE 78 Cb 0.00 -0.73 -0.01 0.00 -0.75 0.00 0.00 39.64 38.15 3df1 n ILE 78 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3df1 n LYS 79 N 2.05 0.11 -4.31 0.38 4.76 0.35 -4.81 118.16 116.69 3df1 n LYS 79 Ca 0.17 0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.48 3df1 n LYS 79 Cb 0.20 -0.69 -0.10 0.00 -1.84 0.00 0.00 35.03 32.60 3df1 n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3df1 s ASN 80 N -5.68 2.34 0.17 4.39 2.20 -1.13 -2.45 114.94 114.78 3df1 s ASN 80 Ca -0.07 -0.98 -0.18 0.00 -0.94 0.00 0.00 52.86 50.69 3df1 s ASN 80 Cb 0.02 -0.10 0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3df1 s ASN 80 CO 0.09 -0.19 0.51 -1.48 -2.94 0.00 0.00 177.10 173.09 3df1 s LEU 81 N -3.13 0.03 0.00 3.54 2.34 -0.74 -2.36 118.68 118.37 3df1 s LEU 81 Ca 0.19 -0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.05 3df1 s LEU 81 Cb -0.01 2.16 0.09 0.00 -0.56 0.00 0.00 46.19 47.87 3df1 s LEU 81 CO 0.05 -0.98 0.64 -0.62 -1.06 0.00 0.00 176.35 174.38 3df1 n GLU 82 N -0.32 0.17 -4.29 1.48 4.71 -0.93 -3.51 120.64 117.96 3df1 n GLU 82 Ca -0.13 -1.75 -0.23 0.00 -0.01 0.00 0.00 57.16 55.03 3df1 n GLU 82 Cb 0.63 -0.42 -0.17 0.00 -1.01 0.00 0.00 31.44 30.48 3df1 n GLU 82 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3df1 s VAL 83 N -1.87 0.85 -0.40 2.62 1.01 -0.36 -1.78 120.40 120.46 3df1 s VAL 83 Ca 0.42 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3df1 s VAL 83 Cb -0.02 -0.83 0.11 0.00 0.00 0.00 0.00 36.38 35.64 3df1 s VAL 83 CO 0.28 0.30 0.15 -0.04 0.00 0.00 0.00 175.10 175.79 3df1 s MET 84 N 0.97 1.47 -0.14 2.72 -1.94 0.19 -0.27 119.30 122.30 3df1 s MET 84 Ca -0.10 -1.99 -0.06 0.00 -1.71 0.00 0.00 55.69 51.84 3df1 s MET 84 Cb -0.15 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 3df1 s MET 84 CO 0.00 -1.03 0.06 0.08 -0.01 0.00 0.00 175.02 174.13 3df1 s VAL 85 N 0.58 4.84 -0.08 -6.03 1.01 -0.02 -0.77 120.40 119.93 3df1 s VAL 85 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 3df1 s VAL 85 Cb -0.22 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.07 3df1 s VAL 85 CO -0.07 0.54 0.22 -1.59 0.00 0.00 0.00 175.10 174.20 3df1 s LYS 86 N -0.32 0.24 0.00 2.72 -2.85 -1.12 0.12 119.74 118.53 3df1 s LYS 86 Ca 0.09 0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 3df1 s LYS 86 Cb -0.12 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 3df1 s LYS 86 CO 0.02 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.82 3df1 n GLY 87 N 3.25 -0.68 0.00 0.59 0.00 -1.26 -3.08 105.19 104.01 3df1 n GLY 87 Ca -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3df1 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3df1 n PRO 88 N -0.27 2.21 -1.05 1.61 -0.04 -1.21 -4.68 135.00 131.55 3df1 n PRO 88 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3df1 n PRO 88 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3df1 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df1 n GLY 89 N 4.95 -2.96 3.51 0.55 0.00 -1.26 -4.33 105.19 105.65 3df1 n GLY 89 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3df1 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3df1 s PRO 90 N -3.62 -1.77 0.00 1.61 0.04 -1.26 -3.50 135.00 126.50 3df1 s PRO 90 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3df1 s PRO 90 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 3df1 s PRO 90 CO 0.00 -4.08 0.00 0.41 0.04 0.00 0.00 177.00 173.37 3df1 n GLY 91 N -0.30 1.54 0.45 0.56 0.00 -1.26 -4.69 105.19 101.49 3df1 n GLY 91 Ca 0.13 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.45 3df1 n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3df1 h ARG 92 N 0.03 0.22 0.00 1.61 2.43 -1.81 0.50 114.38 117.36 3df1 h ARG 92 Ca 0.00 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 3df1 h ARG 92 Cb 0.00 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 3df1 h ARG 92 CO 0.00 0.15 -2.27 -1.91 -1.51 0.00 0.00 179.97 174.43 3df1 n GLU 93 N -4.59 0.54 0.02 0.20 2.13 -1.26 -4.61 120.64 113.06 3df1 n GLU 93 Ca 0.30 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 58.17 3df1 n GLU 93 Cb 1.14 -1.42 -0.04 0.00 0.27 0.00 0.00 31.44 31.40 3df1 n GLU 93 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3df1 h SER 94 N -0.20 -0.83 -0.94 4.31 0.87 -1.67 -2.58 113.55 112.51 3df1 h SER 94 Ca -0.52 0.12 0.31 0.00 -1.23 0.00 0.00 61.79 60.48 3df1 h SER 94 Cb 1.71 0.36 -0.17 0.00 -0.44 0.00 0.00 62.40 63.85 3df1 h SER 94 CO -0.14 -0.33 0.20 1.07 -0.53 0.00 0.00 176.83 177.11 3df1 n THR 95 N -5.39 -0.39 0.12 2.23 5.66 0.17 -1.60 114.28 115.09 3df1 n THR 95 Ca -0.03 2.00 -0.06 0.00 -3.05 0.00 0.00 64.05 62.91 3df1 n THR 95 Cb 0.30 -3.04 -0.03 0.00 -1.55 0.00 0.00 70.33 66.01 3df1 n THR 95 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3df1 h ILE 96 N 0.00 0.00 -0.96 1.09 2.04 -1.67 -2.95 117.51 115.06 3df1 h ILE 96 Ca 0.65 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.83 3df1 h ILE 96 Cb 1.53 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.43 3df1 h ILE 96 CO -0.82 0.00 0.19 0.54 0.00 0.00 0.00 178.15 178.06 3df1 n ARG 97 N -3.08 -0.07 0.09 2.37 1.74 -0.63 0.03 116.66 117.12 3df1 n ARG 97 Ca -0.04 1.40 -0.15 0.00 -0.77 0.00 0.00 57.85 58.29 3df1 n ARG 97 Cb 0.14 -2.31 -0.08 0.00 -1.02 0.00 0.00 32.46 29.19 3df1 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3df1 h ALA 98 N 1.92 -0.81 0.27 7.54 0.00 -1.33 0.51 119.26 127.36 3df1 h ALA 98 Ca 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 3df1 h ALA 98 Cb 1.52 0.80 0.00 0.00 0.00 0.00 0.00 17.79 20.12 3df1 h ALA 98 CO -0.85 -1.03 -0.13 -0.07 0.00 0.00 0.00 179.25 177.18 3df1 h LEU 99 N -0.66 -0.30 -1.79 0.00 4.07 -0.40 0.47 115.31 116.69 3df1 h LEU 99 Ca 0.02 -0.19 0.31 0.00 0.08 0.00 0.00 57.88 58.10 3df1 h LEU 99 Cb 0.70 0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.46 3df1 h LEU 99 CO -0.30 0.05 0.76 -1.13 -1.08 0.00 0.00 178.44 176.74 3df1 h ASN 100 N -0.69 0.14 0.29 -0.43 -0.73 -0.25 0.37 115.58 114.29 3df1 h ASN 100 Ca -0.04 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.16 3df1 h ASN 100 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.07 3df1 h ASN 100 CO 0.06 0.03 -1.59 0.00 -0.37 0.00 0.00 177.43 175.56 3df1 n ALA 101 N -2.67 2.92 0.74 1.57 0.00 0.18 -4.22 120.51 119.03 3df1 n ALA 101 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3df1 n ALA 101 Cb 1.09 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3df1 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 n ALA 102 N -2.15 2.16 0.00 0.00 0.00 0.16 -4.75 120.51 115.93 3df1 n ALA 102 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3df1 n ALA 102 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3df1 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 103 N 0.32 2.68 3.55 0.00 0.00 -1.23 -4.97 105.19 105.54 3df1 n GLY 103 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3df1 n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df1 n PHE 104 N -0.19 1.87 -1.88 1.61 3.72 -1.16 -4.87 117.46 116.55 3df1 n PHE 104 Ca 0.00 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 3df1 n PHE 104 Cb 0.00 -2.63 -0.03 0.00 -0.94 0.00 0.00 39.48 35.88 3df1 n PHE 104 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3df1 s ARG 105 N 5.90 4.18 0.71 -1.08 3.52 -1.03 -4.29 118.95 126.87 3df1 s ARG 105 Ca 1.03 2.38 -0.12 0.00 -0.13 0.00 0.00 55.73 58.89 3df1 s ARG 105 Cb -0.63 -3.73 0.16 0.00 -1.56 0.00 0.00 34.95 29.20 3df1 s ARG 105 CO 0.44 -0.79 0.93 1.51 -0.81 0.00 0.00 175.30 176.58 3df1 n ILE 106 N 4.95 0.00 0.00 4.11 0.13 -1.26 -1.79 119.36 125.50 3df1 n ILE 106 Ca 0.17 -0.67 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 3df1 n ILE 106 Cb 0.41 -1.61 0.00 0.00 -0.84 0.00 0.00 39.64 37.59 3df1 n ILE 106 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3df1 n THR 107 N -3.38 0.00 -3.98 9.51 -2.24 -1.23 -4.72 114.28 108.25 3df1 n THR 107 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 3df1 n THR 107 Cb 0.41 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 3df1 n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3df1 s ASN 108 N 1.50 3.47 -0.18 3.42 -0.87 -1.26 -5.05 114.94 115.98 3df1 s ASN 108 Ca 0.00 -0.94 -0.16 0.00 -1.57 0.00 0.00 52.86 50.18 3df1 s ASN 108 Cb 0.00 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.25 39.98 3df1 s ASN 108 CO 0.00 -0.17 0.41 -0.63 -2.57 0.00 0.00 177.10 174.15 3df1 s ILE 109 N 1.41 5.20 -0.01 0.60 1.01 -1.26 -1.23 121.20 126.92 3df1 s ILE 109 Ca -0.02 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.42 3df1 s ILE 109 Cb -0.17 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3df1 s ILE 109 CO -0.08 0.28 -0.09 -0.89 0.00 0.00 0.00 174.94 174.16 3df1 s THR 110 N 1.09 0.72 -0.65 2.92 2.01 0.63 -4.94 115.64 117.42 3df1 s THR 110 Ca 0.21 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 3df1 s THR 110 Cb -0.15 -0.61 0.16 0.00 0.01 0.00 0.00 72.50 71.91 3df1 s THR 110 CO 0.08 0.20 0.62 -0.62 -0.69 0.00 0.00 174.62 174.22 3df1 s ASP 111 N -0.21 6.39 0.00 3.53 2.15 -1.26 -0.84 116.67 126.43 3df1 s ASP 111 Ca 0.03 -2.06 0.07 0.00 0.43 0.00 0.00 52.55 51.03 3df1 s ASP 111 Cb -0.04 -2.22 0.44 0.00 -0.30 0.00 0.00 42.92 40.80 3df1 s ASP 111 CO -0.00 -0.80 1.25 1.33 -0.17 0.00 0.00 175.17 176.78 3df1 n VAL 112 N 4.87 0.00 -1.69 1.11 0.24 0.33 -4.89 118.33 118.29 3df1 n VAL 112 Ca -0.03 0.00 -0.56 0.00 -2.04 0.00 0.00 64.34 61.71 3df1 n VAL 112 Cb 0.43 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 3df1 n VAL 112 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3df1 n THR 113 N -0.62 0.28 -2.08 3.34 -1.04 -1.02 -4.81 114.28 108.32 3df1 n THR 113 Ca 0.06 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.63 3df1 n THR 113 Cb 0.03 -1.21 -0.00 0.00 -1.82 0.00 0.00 70.33 67.32 3df1 n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3df1 s PRO 114 N 3.09 3.87 -0.34 -2.82 0.04 -1.26 -4.90 135.00 132.69 3df1 s PRO 114 Ca 0.96 2.07 0.00 0.00 0.04 0.00 0.00 61.00 64.07 3df1 s PRO 114 Cb -1.02 -2.66 0.14 0.00 0.04 0.00 0.00 34.50 31.00 3df1 s PRO 114 CO 0.62 -0.54 0.27 0.96 0.04 0.00 0.00 177.00 178.34 3df1 s ILE 115 N -1.32 -0.16 0.15 0.56 -5.25 -1.26 -4.98 121.20 108.93 3df1 s ILE 115 Ca 0.59 -1.07 -0.31 0.00 -0.99 0.00 0.00 60.65 58.87 3df1 s ILE 115 Cb -0.36 -0.92 -0.08 0.00 2.95 0.00 0.00 42.46 44.05 3df1 s ILE 115 CO 0.46 -0.71 1.38 -2.16 -1.79 0.00 0.00 174.94 172.12 3df1 s PRO 116 N 1.61 4.33 -0.04 0.37 0.04 -1.26 -4.89 135.00 135.16 3df1 s PRO 116 Ca 0.14 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 3df1 s PRO 116 Cb -0.17 -3.22 -0.23 0.00 0.04 0.00 0.00 34.50 30.92 3df1 s PRO 116 CO -0.13 -0.39 3.48 0.72 0.04 0.00 0.00 177.00 180.71 3df1 n HIS 117 N 3.47 0.13 -2.26 0.56 8.25 -1.26 -4.70 115.22 119.41 3df1 n HIS 117 Ca 0.10 -1.51 -0.02 0.00 -0.26 0.00 0.00 57.72 56.03 3df1 n HIS 117 Cb 0.42 -1.53 -0.01 0.00 1.12 0.00 0.00 29.99 29.99 3df1 n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3df1 n ASN 118 N 2.32 -3.84 0.04 0.41 5.03 -1.26 -5.06 115.26 112.89 3df1 n ASN 118 Ca 0.41 0.92 0.00 0.00 0.87 0.00 0.00 54.58 56.79 3df1 n ASN 118 Cb 0.87 -3.84 0.00 0.00 -1.02 0.00 0.00 39.78 35.79 3df1 n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3df1 n GLY 119 N 0.74 -0.24 3.87 7.41 0.00 -1.26 -5.12 105.19 110.59 3df1 n GLY 119 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3df1 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 s ARG 121 N -3.05 3.43 0.78 0.00 3.52 -1.26 -5.07 118.95 117.29 3df1 s ARG 121 Ca 0.50 -0.52 -0.14 0.00 -0.13 0.00 0.00 55.73 55.43 3df1 s ARG 121 Cb -0.11 -3.85 0.06 0.00 -1.56 0.00 0.00 34.95 29.49 3df1 s ARG 121 CO 0.22 -0.61 1.18 -0.35 -0.81 0.00 0.00 175.30 174.93 3df1 n PRO 122 N 5.42 0.36 -2.32 5.12 -0.04 -1.26 -4.97 135.00 137.32 3df1 n PRO 122 Ca -0.09 0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 3df1 n PRO 122 Cb 0.49 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 3df1 n PRO 122 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3df1 s PRO 123 N -3.90 3.81 0.00 0.54 0.04 -1.26 -5.02 135.00 129.22 3df1 s PRO 123 Ca 0.75 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3df1 s PRO 123 Cb -0.31 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3df1 s PRO 123 CO 0.49 -0.49 0.25 1.63 0.04 0.00 0.00 177.00 178.93 3df1 n LYS 124 N -0.47 0.00 0.00 4.56 4.76 -1.26 -4.92 118.16 120.83 3df1 n LYS 124 Ca 0.07 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3df1 n LYS 124 Cb 0.49 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 3df1 n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3df1 n LYS 125 N -0.28 0.00 -2.31 1.97 5.02 -1.26 -4.91 118.16 116.39 3df1 n LYS 125 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3df1 n LYS 125 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3df1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df1 n ARG 126 N -0.45 -0.65 -2.74 1.97 5.12 -1.26 -4.98 116.66 113.67 3df1 n ARG 126 Ca 0.00 0.76 -0.08 0.00 -1.93 0.00 0.00 57.85 56.60 3df1 n ARG 126 Cb 0.00 -0.63 0.06 0.00 -1.16 0.00 0.00 32.46 30.73 3df1 n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df1 n ARG 127 N 1.71 0.85 0.00 5.56 0.00 -1.26 -5.27 116.66 118.25 3df1 n ARG 127 Ca 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 57.85 56.06 3df1 n ARG 127 Cb 0.14 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.26 3df1 n ARG 127 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96