#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 n SER 11 N 0.00 0.37 0.24 2.89 7.64 -1.26 -3.59 113.62 119.90 1s72 n SER 11 Ca 0.00 -1.63 0.12 0.00 1.01 0.00 0.00 58.87 58.37 1s72 n SER 11 Cb 0.00 -0.18 0.58 0.00 -1.01 0.00 0.00 64.21 63.60 1s72 n SER 11 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1s72 h GLY 12 N 4.62 0.00 2.00 0.23 0.00 -1.94 -2.31 103.07 105.66 1s72 h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s72 h GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1s72 h ARG 13 N 0.00 0.00 -0.01 4.80 0.11 -2.04 -2.67 114.38 114.58 1s72 h ARG 13 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1s72 h ARG 13 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1s72 h ARG 13 CO 0.02 0.00 -0.05 1.19 0.10 0.00 0.00 179.97 181.23 1s72 n PHE 14 N -2.64 0.00 -3.18 4.08 0.99 -0.87 -5.02 117.46 110.81 1s72 n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1s72 n PHE 14 Cb 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 1s72 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s72 n GLY 15 N 1.17 2.09 0.92 1.37 0.00 -1.01 -1.79 105.19 107.94 1s72 n GLY 15 Ca 0.18 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1s72 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 n ALA 16 N 6.91 2.90 -2.74 4.61 0.00 -1.26 -4.94 120.51 125.98 1s72 n ALA 16 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 1s72 n ALA 16 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1s72 n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s72 s ARG 17 N -1.67 3.43 0.00 0.00 0.52 -0.74 -4.66 118.95 115.83 1s72 s ARG 17 Ca 0.21 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1s72 s ARG 17 Cb 0.15 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1s72 s ARG 17 CO 0.08 0.22 0.00 0.66 0.02 0.00 0.00 175.30 176.28 1s72 n TYR 18 N -1.66 0.00 0.00 -0.53 0.53 -1.26 -4.90 117.16 109.34 1s72 n TYR 18 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.82 1s72 n TYR 18 Cb 0.57 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.84 1s72 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1s72 n GLY 19 N -1.65 -0.17 0.18 2.72 0.00 -1.26 -4.57 105.19 100.44 1s72 n GLY 19 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 1s72 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s72 h ARG 20 N 0.00 -0.33 -0.59 1.61 3.08 -1.99 -3.06 114.38 113.11 1s72 h ARG 20 Ca 0.00 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1s72 h ARG 20 Cb 0.00 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.02 1s72 h ARG 20 CO 0.00 -0.22 -0.46 0.28 -1.07 0.00 0.00 179.97 178.50 1s72 h VAL 21 N -0.34 0.07 -0.12 2.04 2.07 -1.98 0.42 116.25 118.40 1s72 h VAL 21 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1s72 h VAL 21 Cb 0.31 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1s72 h VAL 21 CO -0.04 0.00 -0.21 0.28 0.02 0.00 0.00 177.57 177.62 1s72 h SER 22 N -0.23 -0.65 1.55 0.57 0.02 -1.81 -1.09 113.55 111.91 1s72 h SER 22 Ca 0.17 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1s72 h SER 22 Cb 0.56 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1s72 h SER 22 CO -0.70 -0.26 -0.08 0.08 -1.14 0.00 0.00 176.83 174.74 1s72 h ARG 23 N -0.27 0.00 -0.21 3.45 0.11 -1.35 -2.26 114.38 113.85 1s72 h ARG 23 Ca 0.10 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.03 1s72 h ARG 23 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1s72 h ARG 23 CO -0.28 0.00 -0.46 -0.09 0.10 0.00 0.00 179.97 179.24 1s72 h ARG 24 N 0.00 0.68 -0.01 0.08 2.43 0.27 -2.37 114.38 115.46 1s72 h ARG 24 Ca 0.00 -0.45 -0.15 0.00 -0.81 0.00 0.00 59.98 58.57 1s72 h ARG 24 Cb 0.81 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1s72 h ARG 24 CO 0.00 1.07 -0.70 0.00 -1.51 0.00 0.00 179.97 178.83 1s72 h ARG 25 N 0.38 0.03 -0.44 0.20 3.08 -1.19 -1.52 114.38 114.93 1s72 h ARG 25 Ca 0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1s72 h ARG 25 Cb 1.07 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1s72 h ARG 25 CO 0.10 0.72 -0.17 0.28 -1.07 0.00 0.00 179.97 179.84 1s72 h VAL 26 N 0.02 1.27 -0.13 2.04 2.07 -1.40 0.14 116.25 120.27 1s72 h VAL 26 Ca -0.01 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1s72 h VAL 26 Cb 1.24 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1s72 h VAL 26 CO 0.09 0.44 -0.01 0.00 0.02 0.00 0.00 177.57 178.12 1s72 h ALA 27 N 0.84 0.18 -0.09 1.67 0.00 -1.36 -0.80 119.26 119.70 1s72 h ALA 27 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s72 h ALA 27 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s72 h ALA 27 CO 0.06 -0.12 0.06 0.93 0.00 0.00 0.00 179.25 180.18 1s72 h GLU 28 N -0.04 0.12 0.20 0.00 5.08 -1.22 0.47 114.58 119.19 1s72 h GLU 28 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1s72 h GLU 28 Cb 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1s72 h GLU 28 CO 0.01 0.09 -0.09 0.82 -1.00 0.00 0.00 179.01 178.84 1s72 h ILE 29 N 0.12 0.87 0.00 3.13 2.04 -0.98 -2.57 117.51 120.12 1s72 h ILE 29 Ca 0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1s72 h ILE 29 Cb -0.00 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1s72 h ILE 29 CO -0.01 0.08 -0.27 -0.33 0.00 0.00 0.00 178.15 177.62 1s72 h GLU 30 N -0.43 0.00 0.18 2.37 5.08 -1.10 -0.82 114.58 119.86 1s72 h GLU 30 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1s72 h GLU 30 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1s72 h GLU 30 CO 0.04 0.27 -0.08 1.03 -1.00 0.00 0.00 179.01 179.27 1s72 h SER 31 N 0.00 -0.20 0.05 1.42 0.87 0.12 0.45 113.55 116.26 1s72 h SER 31 Ca -0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 1s72 h SER 31 Cb 0.51 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1s72 h SER 31 CO 0.04 -0.09 -0.20 -0.08 -0.53 0.00 0.00 176.83 175.97 1s72 h GLU 32 N -0.30 0.29 -0.51 2.24 4.81 -1.21 -2.50 114.58 117.40 1s72 h GLU 32 Ca -0.02 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1s72 h GLU 32 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1s72 h GLU 32 CO 0.04 0.49 -0.00 1.98 -0.73 0.00 0.00 179.01 180.79 1s72 h MET 33 N 0.27 0.87 -0.00 1.92 4.05 -0.73 -2.98 114.93 118.32 1s72 h MET 33 Ca 0.05 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1s72 h MET 33 Cb 0.52 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1s72 h MET 33 CO 0.03 0.87 -0.18 0.09 0.23 0.00 0.00 176.91 177.95 1s72 n ASN 34 N -4.20 0.52 -4.71 1.39 3.02 0.11 -4.73 115.26 106.66 1s72 n ASN 34 Ca 0.03 -0.46 -0.31 0.00 -0.03 0.00 0.00 54.58 53.81 1s72 n ASN 34 Cb 0.31 -0.04 0.14 0.00 -0.61 0.00 0.00 39.78 39.58 1s72 n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s72 s GLU 35 N -2.62 1.45 0.28 3.52 2.02 -0.97 -4.95 118.70 117.42 1s72 s GLU 35 Ca 0.24 1.26 -0.29 0.00 0.02 0.00 0.00 54.97 56.19 1s72 s GLU 35 Cb 0.19 -1.80 -0.10 0.00 0.10 0.00 0.00 34.13 32.53 1s72 s GLU 35 CO 0.52 -2.24 1.30 -0.51 0.02 0.00 0.00 175.26 174.35 1s72 s ASP 36 N -3.06 6.86 -0.03 -0.19 1.01 -1.26 -4.97 116.67 115.03 1s72 s ASP 36 Ca 0.64 2.55 0.06 0.00 0.71 0.00 0.00 52.55 56.51 1s72 s ASP 36 Cb -0.20 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.09 1s72 s ASP 36 CO 0.57 -0.50 -0.22 -1.00 0.21 0.00 0.00 175.17 174.23 1s72 s HIS 37 N -0.66 2.05 -0.38 4.23 3.76 -1.25 -5.00 115.29 118.04 1s72 s HIS 37 Ca 0.52 -0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 54.66 1s72 s HIS 37 Cb -0.38 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 31.99 1s72 s HIS 37 CO 0.46 -0.10 1.14 0.00 -0.85 0.00 0.00 174.74 175.39 1s72 s ALA 38 N -0.34 3.33 0.25 -1.40 0.00 -1.26 -2.21 121.76 120.13 1s72 s ALA 38 Ca 0.03 -0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1s72 s ALA 38 Cb -0.10 -3.79 -0.13 0.00 0.00 0.00 0.00 23.12 19.10 1s72 s ALA 38 CO 0.01 -1.86 1.43 0.00 0.00 0.00 0.00 175.76 175.34 1s72 h PRO 40 N 4.29 0.49 0.00 0.00 0.11 -1.94 -3.34 132.00 131.61 1s72 h PRO 40 Ca -0.45 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1s72 h PRO 40 Cb 1.27 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1s72 h PRO 40 CO 0.76 0.87 0.00 -1.71 -0.21 0.00 0.00 178.00 177.71 1s72 n ASN 41 N -3.98 0.00 -2.10 -2.05 5.15 -1.26 -4.81 115.26 106.21 1s72 n ASN 41 Ca -0.02 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1s72 n ASN 41 Cb 0.56 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1s72 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s72 n GLY 43 N 5.00 0.49 3.77 0.00 0.00 -1.25 -4.57 105.19 108.63 1s72 n GLY 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s72 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s72 s GLU 44 N -0.49 4.00 -1.54 1.61 2.56 -1.26 -4.43 118.70 119.15 1s72 s GLU 44 Ca 0.00 2.14 -0.09 0.00 0.00 0.00 0.00 54.97 57.02 1s72 s GLU 44 Cb 0.00 -2.78 -0.03 0.00 2.00 0.00 0.00 34.13 33.33 1s72 s GLU 44 CO 0.00 -0.46 2.75 -0.25 -0.56 0.00 0.00 175.26 176.75 1s72 n ASP 45 N 0.18 8.17 -1.49 -1.70 8.00 -1.26 -0.52 116.55 127.93 1s72 n ASP 45 Ca 0.03 -2.74 -0.02 0.00 0.71 0.00 0.00 54.79 52.78 1s72 n ASP 45 Cb 0.44 -1.52 0.09 0.00 -0.02 0.00 0.00 41.12 40.11 1s72 n ASP 45 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s72 n ARG 46 N 3.34 1.66 -3.45 -1.24 1.74 -1.07 -4.43 116.66 113.20 1s72 n ARG 46 Ca 0.72 -3.20 -0.38 0.00 -0.77 0.00 0.00 57.85 54.22 1s72 n ARG 46 Cb 0.25 -1.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1s72 n ARG 46 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s72 s VAL 47 N -2.80 5.23 0.18 1.55 1.01 -0.94 -0.67 120.40 123.96 1s72 s VAL 47 Ca 0.38 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.99 1s72 s VAL 47 Cb 0.38 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1s72 s VAL 47 CO -0.07 0.23 -0.21 -1.81 0.00 0.00 0.00 175.10 173.24 1s72 s ASP 48 N 1.30 3.10 0.21 3.32 1.01 0.55 -3.85 116.67 122.31 1s72 s ASP 48 Ca 0.15 -0.86 -0.30 0.00 0.71 0.00 0.00 52.55 52.25 1s72 s ASP 48 Cb -0.15 -0.21 -0.08 0.00 1.01 0.00 0.00 42.92 43.49 1s72 s ASP 48 CO 0.08 0.05 1.05 -0.60 0.21 0.00 0.00 175.17 175.97 1s72 s ARG 49 N -2.70 4.67 -0.02 8.23 3.52 -1.26 -0.89 118.95 130.50 1s72 s ARG 49 Ca 0.18 1.66 0.14 0.00 -0.13 0.00 0.00 55.73 57.59 1s72 s ARG 49 Cb -0.07 -3.26 -0.20 0.00 -1.56 0.00 0.00 34.95 29.85 1s72 s ARG 49 CO 0.08 0.22 0.36 1.04 -0.81 0.00 0.00 175.30 176.20 1s72 n GLN 50 N 1.90 0.83 -3.25 5.12 1.13 0.17 -4.90 117.38 118.38 1s72 n GLN 50 Ca 0.01 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1s72 n GLN 50 Cb 0.46 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.52 1s72 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s72 n GLY 51 N 1.63 -1.16 3.60 1.08 0.00 -1.19 -4.98 105.19 104.16 1s72 n GLY 51 Ca -0.02 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1s72 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s THR 52 N -3.00 3.03 0.00 2.61 2.01 -1.26 -2.05 115.64 116.98 1s72 s THR 52 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1s72 s THR 52 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1s72 s THR 52 CO 0.00 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1s72 n GLY 53 N 5.77 0.54 3.42 4.40 0.00 -1.22 -4.96 105.19 113.14 1s72 n GLY 53 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1s72 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s72 s ILE 54 N -2.45 3.96 0.09 -0.61 1.01 -0.87 -1.75 121.20 120.58 1s72 s ILE 54 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.45 1s72 s ILE 54 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1s72 s ILE 54 CO 0.00 0.40 -0.26 0.26 0.00 0.00 0.00 174.94 175.34 1s72 s TRP 55 N 1.26 2.26 -0.07 3.97 0.52 0.28 0.45 118.94 127.61 1s72 s TRP 55 Ca 0.04 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 1s72 s TRP 55 Cb -0.15 -1.28 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1s72 s TRP 55 CO 0.01 0.24 0.26 -1.14 0.02 0.00 0.00 176.95 176.34 1s72 s GLN 56 N -1.68 0.39 -0.26 4.98 0.74 -0.07 0.19 119.66 123.95 1s72 s GLN 56 Ca 0.12 0.18 -0.18 0.00 0.05 0.00 0.00 55.36 55.53 1s72 s GLN 56 Cb -0.10 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.17 1s72 s GLN 56 CO 0.04 -0.07 0.52 0.00 -0.55 0.00 0.00 175.29 175.23 1s72 h SER 58 N 7.97 0.00 0.17 0.00 4.64 -1.24 0.31 113.55 125.40 1s72 h SER 58 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1s72 h SER 58 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1s72 h SER 58 CO 0.72 0.15 -0.08 0.22 -0.87 0.00 0.00 176.83 176.97 1s72 h TYR 59 N 0.00 -0.21 -0.02 4.77 3.20 -1.93 -3.39 116.97 119.39 1s72 h TYR 59 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1s72 h TYR 59 Cb 0.47 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1s72 h TYR 59 CO 0.00 -0.13 -0.46 0.00 -1.64 0.00 0.00 178.16 175.93 1s72 n ASP 61 N -0.02 0.00 -4.67 0.00 8.00 0.11 -4.99 116.55 114.98 1s72 n ASP 61 Ca 0.09 0.00 -0.55 0.00 0.71 0.00 0.00 54.79 55.04 1s72 n ASP 61 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 1s72 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 n TYR 62 N -2.00 2.05 -4.12 1.24 9.36 -1.25 -4.48 117.16 117.96 1s72 n TYR 62 Ca 0.00 0.38 -0.35 0.00 3.32 0.00 0.00 57.90 61.26 1s72 n TYR 62 Cb 0.00 -2.51 -0.14 0.00 -0.63 0.00 0.00 39.34 36.06 1s72 n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1s72 s LYS 63 N 4.08 3.44 0.23 2.98 2.20 -1.26 -0.73 119.74 130.69 1s72 s LYS 63 Ca 0.99 -0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.95 1s72 s LYS 63 Cb -0.97 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1s72 s LYS 63 CO 0.61 -0.06 0.27 -0.59 -0.36 0.00 0.00 175.35 175.22 1s72 s PHE 64 N 1.11 0.95 0.06 4.03 -0.12 0.13 -4.99 117.98 119.16 1s72 s PHE 64 Ca 0.01 -1.20 -0.12 0.00 -0.05 0.00 0.00 56.93 55.58 1s72 s PHE 64 Cb -0.15 -0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 41.88 1s72 s PHE 64 CO -0.00 -0.80 0.42 0.95 -0.05 0.00 0.00 175.22 175.74 1s72 s THR 65 N -3.99 5.04 0.00 -4.49 -4.23 -1.26 -0.55 115.64 106.16 1s72 s THR 65 Ca 0.34 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1s72 s THR 65 Cb 0.04 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1s72 s THR 65 CO 0.13 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1s72 n GLY 66 N 1.20 4.19 3.21 3.99 0.00 -0.72 -4.92 105.19 112.13 1s72 n GLY 66 Ca -0.10 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 1s72 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 67 N 0.00 -2.03 0.17 -0.02 0.00 0.23 -4.73 105.19 98.82 1s72 n GLY 67 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 1s72 n GLY 67 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s72 h SER 68 N -1.96 0.64 0.00 1.61 0.02 -1.93 -3.23 113.55 108.70 1s72 h SER 68 Ca -0.37 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1s72 h SER 68 Cb 1.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1s72 h SER 68 CO 0.25 1.30 0.00 -1.22 -1.14 0.00 0.00 176.83 176.02 1s72 n TYR 69 N -3.78 0.00 -4.30 3.45 4.02 -1.26 -3.60 117.16 111.69 1s72 n TYR 69 Ca -0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.62 1s72 n TYR 69 Cb 0.84 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.03 1s72 n TYR 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1s72 s LYS 70 N -0.31 0.88 0.39 -0.72 1.02 -1.26 -3.86 119.74 115.88 1s72 s LYS 70 Ca 0.00 -0.78 0.21 0.00 0.02 0.00 0.00 55.97 55.41 1s72 s LYS 70 Cb 0.00 -0.88 0.65 0.00 -0.52 0.00 0.00 37.83 37.08 1s72 s LYS 70 CO 0.00 0.21 1.71 -1.00 -0.92 0.00 0.00 175.35 175.35 1s72 h PRO 71 N 4.80 0.00 -5.15 -1.68 0.13 -1.94 0.67 132.00 128.84 1s72 h PRO 71 Ca -0.38 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 1s72 h PRO 71 Cb 1.18 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1s72 h PRO 71 CO 0.43 0.32 -0.81 -1.21 -0.23 0.00 0.00 178.00 176.50 1s72 s GLU 72 N -3.47 1.26 0.28 0.86 2.02 -1.26 -3.27 118.70 115.11 1s72 s GLU 72 Ca 0.01 -0.49 0.10 0.00 0.02 0.00 0.00 54.97 54.61 1s72 s GLU 72 Cb 0.10 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 1s72 s GLU 72 CO 0.67 0.25 -0.01 0.95 0.02 0.00 0.00 175.26 177.14 1s72 s THR 73 N -0.13 3.22 0.50 3.63 -4.23 -1.26 -4.79 115.64 112.58 1s72 s THR 73 Ca 0.01 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 1s72 s THR 73 Cb -0.08 -2.79 0.29 0.00 1.34 0.00 0.00 72.50 71.26 1s72 s THR 73 CO 0.00 -0.34 2.11 -0.65 -0.54 0.00 0.00 174.62 175.20 1s72 h PRO 74 N 1.89 0.09 -0.06 3.99 0.11 -2.01 -1.68 132.00 134.34 1s72 h PRO 74 Ca -0.44 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 1s72 h PRO 74 Cb 1.25 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1s72 h PRO 74 CO 0.61 0.06 -0.75 0.78 -0.21 0.00 0.00 178.00 178.49 1s72 h GLY 75 N 0.10 0.68 1.73 -0.55 0.00 -2.00 -3.02 103.07 100.00 1s72 h GLY 75 Ca 0.07 -1.08 -0.04 0.00 0.00 0.00 0.00 47.33 46.28 1s72 h GLY 75 CO -0.01 0.96 -0.05 -1.33 0.00 0.00 0.00 176.54 176.11 1s72 h GLY 76 N 0.24 0.37 1.54 4.60 0.00 -1.79 -2.31 103.07 105.72 1s72 h GLY 76 Ca -0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1s72 h GLY 76 CO 0.15 0.20 -0.31 0.50 0.00 0.00 0.00 176.54 177.08 1s72 h LYS 77 N 0.33 0.53 -0.57 4.80 1.57 -1.34 -2.90 116.57 118.98 1s72 h LYS 77 Ca 0.07 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1s72 h LYS 77 Cb 0.31 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1s72 h LYS 77 CO 0.01 0.78 0.16 1.15 -0.57 0.00 0.00 179.45 180.98 1s72 h THR 78 N 0.45 1.23 -0.30 -0.16 2.02 -1.29 -3.01 112.91 111.85 1s72 h THR 78 Ca 0.06 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.51 1s72 h THR 78 Cb 0.76 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1s72 h THR 78 CO 0.06 0.30 -0.15 0.58 0.37 0.00 0.00 175.52 176.69 1s72 h VAL 79 N 0.84 0.55 -0.67 3.16 2.07 -1.30 -2.27 116.25 118.62 1s72 h VAL 79 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1s72 h VAL 79 Cb 0.27 0.55 -0.12 0.00 -1.52 0.00 0.00 31.29 30.47 1s72 h VAL 79 CO -0.01 0.00 -0.35 0.03 0.02 0.00 0.00 177.57 177.27 1s72 h ARG 80 N -0.10 -0.13 0.00 1.57 3.08 -1.59 -3.28 114.38 113.94 1s72 h ARG 80 Ca 0.16 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1s72 h ARG 80 Cb 0.34 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1s72 h ARG 80 CO -0.37 -0.08 0.00 0.54 -1.07 0.00 0.00 179.97 178.99 1s72 n ARG 81 N -5.44 0.00 0.00 0.04 1.74 -0.86 -5.18 116.66 106.96 1s72 n ARG 81 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1s72 n ARG 81 Cb 0.36 -0.25 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1s72 n ARG 81 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98