#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 s LYS 2 N 0.00 2.53 -0.65 2.12 1.02 -1.26 -4.39 119.74 119.11 1h95 s LYS 2 Ca 0.00 -1.52 -0.32 0.00 0.02 0.00 0.00 55.97 54.15 1h95 s LYS 2 Cb 0.00 -2.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.82 1h95 s LYS 2 CO 0.00 -0.11 2.45 1.17 -0.92 0.00 0.00 175.35 177.94 1h95 n LYS 3 N -1.46 0.57 -2.40 1.68 4.81 -1.13 -4.22 118.16 116.00 1h95 n LYS 3 Ca 0.02 0.07 -0.03 0.00 -0.87 0.00 0.00 58.31 57.49 1h95 n LYS 3 Cb 0.62 -2.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 1h95 n LYS 3 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1h95 n VAL 4 N 7.49-12.30 -0.10 3.15 0.31 -1.11 -4.88 118.33 110.88 1h95 n VAL 4 Ca 0.51 2.70 -0.21 0.00 -0.01 0.00 0.00 64.34 67.33 1h95 n VAL 4 Cb 0.22 -6.15 -0.11 0.00 -0.91 0.00 0.00 33.84 26.89 1h95 n VAL 4 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1h95 n ILE 5 N 1.61 1.53 -3.65 2.52 -0.00 -0.46 -4.94 119.36 115.96 1h95 n ILE 5 Ca -0.25 -0.03 -0.05 0.00 -0.00 0.00 0.00 62.75 62.41 1h95 n ILE 5 Cb 0.39 -2.05 -0.02 0.00 -0.00 0.00 0.00 39.64 37.96 1h95 n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h95 s ALA 6 N -2.39 -1.75 0.25 -1.39 0.00 -1.17 -5.02 121.76 110.28 1h95 s ALA 6 Ca -0.29 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1h95 s ALA 6 Cb 0.06 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1h95 s ALA 6 CO 0.57 -0.90 0.14 0.95 0.00 0.00 0.00 175.76 176.52 1h95 s THR 7 N -3.17 4.18 -0.94 0.00 -4.23 -1.26 0.17 115.64 110.38 1h95 s THR 7 Ca 0.09 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1h95 s THR 7 Cb -0.01 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1h95 s THR 7 CO -0.03 -0.34 0.70 1.17 -0.54 0.00 0.00 174.62 175.58 1h95 n LYS 8 N -1.05 -1.29 -4.21 3.99 3.00 -1.18 -4.92 118.16 112.50 1h95 n LYS 8 Ca -0.08 0.78 -0.29 0.00 -0.00 0.00 0.00 58.31 58.73 1h95 n LYS 8 Cb 0.58 -3.79 -0.09 0.00 0.00 0.00 0.00 35.03 31.73 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1h95 s VAL 9 N -3.20 3.52 0.21 3.15 1.01 0.15 -4.91 120.40 120.32 1h95 s VAL 9 Ca 0.20 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 60.96 1h95 s VAL 9 Cb -0.08 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1h95 s VAL 9 CO 0.85 0.05 0.08 -0.76 0.00 0.00 0.00 175.10 175.32 1h95 s LEU 10 N -2.42 3.53 0.17 3.92 2.01 -1.26 -1.20 118.68 123.43 1h95 s LEU 10 Ca 0.23 -0.34 -0.23 0.00 0.01 0.00 0.00 54.13 53.81 1h95 s LEU 10 Cb -0.11 -2.12 0.08 0.00 0.01 0.00 0.00 46.19 44.05 1h95 s LEU 10 CO 0.15 0.04 1.06 -0.83 1.01 0.00 0.00 176.35 177.79 1h95 s GLY 11 N -3.32 0.10 -0.12 -3.19 0.00 -1.22 -3.87 107.32 95.70 1h95 s GLY 11 Ca 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 44.72 44.70 1h95 s GLY 11 CO 0.21 2.84 -0.12 -1.59 0.00 0.00 0.00 173.10 174.44 1h95 s THR 12 N -2.12 3.12 -0.25 0.90 2.01 -0.54 -3.20 115.64 115.55 1h95 s THR 12 Ca 0.23 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 1h95 s THR 12 Cb -0.02 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1h95 s THR 12 CO 0.05 0.53 0.26 -0.69 -0.69 0.00 0.00 174.62 174.07 1h95 s VAL 13 N 0.24 5.28 -0.03 3.82 1.01 -0.31 -1.32 120.40 129.08 1h95 s VAL 13 Ca -0.08 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1h95 s VAL 13 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1h95 s VAL 13 CO 0.05 0.26 -0.16 1.17 0.00 0.00 0.00 175.10 176.42 1h95 n LYS 14 N 4.77 0.24 0.00 2.72 4.81 -1.26 -0.70 118.16 128.74 1h95 n LYS 14 Ca -0.12 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1h95 n LYS 14 Cb 0.52 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.64 1h95 n LYS 14 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1h95 n TRP 15 N -3.92 0.00 -1.13 5.64 -0.00 -1.26 -4.70 117.44 112.07 1h95 n TRP 15 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.43 1h95 n TRP 15 Cb 0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 1h95 n TRP 15 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1h95 n PHE 16 N -0.61 -1.24 -4.19 5.87 -0.00 -1.26 -5.05 117.46 110.98 1h95 n PHE 16 Ca 0.00 0.74 -0.34 0.00 -0.00 0.00 0.00 57.45 57.85 1h95 n PHE 16 Cb 0.00 -2.45 -0.13 0.00 -0.00 0.00 0.00 39.48 36.90 1h95 n PHE 16 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1h95 s ASN 17 N -0.14 4.46 -0.17 -2.13 3.84 -1.26 -4.97 114.94 114.57 1h95 s ASN 17 Ca 0.00 -0.29 -0.06 0.00 0.21 0.00 0.00 52.86 52.72 1h95 s ASN 17 Cb 0.00 -1.74 -0.08 0.00 -0.55 0.00 0.00 41.25 38.88 1h95 s ASN 17 CO 0.00 0.07 -0.20 0.52 -2.79 0.00 0.00 177.10 174.70 1h95 n VAL 18 N 4.22 0.91 0.18 -5.21 0.31 -1.26 -3.88 118.33 113.60 1h95 n VAL 18 Ca -0.18 -0.26 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1h95 n VAL 18 Cb 0.52 -1.57 0.46 0.00 -0.91 0.00 0.00 33.84 32.34 1h95 n VAL 18 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1h95 h ARG 19 N -0.46 0.09 0.00 5.55 0.11 -2.00 -2.64 114.38 115.04 1h95 h ARG 19 Ca -0.41 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.53 1h95 h ARG 19 Cb 1.41 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.46 1h95 h ARG 19 CO -0.21 0.25 -1.75 -1.71 0.10 0.00 0.00 179.97 176.65 1h95 n ASN 20 N -4.31 1.88 0.00 0.08 5.15 -1.26 -5.05 115.26 111.75 1h95 n ASN 20 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1h95 n ASN 20 Cb 0.25 1.19 0.00 0.00 -0.53 0.00 0.00 39.78 40.69 1h95 n ASN 20 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h95 n GLY 21 N 1.99 3.09 3.58 8.20 0.00 -1.00 -5.01 105.19 116.03 1h95 n GLY 21 Ca -0.12 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h95 s TYR 22 N -0.46 2.27 0.51 1.61 2.02 -1.26 -4.28 117.35 117.76 1h95 s TYR 22 Ca 0.00 0.52 0.07 0.00 -0.37 0.00 0.00 57.07 57.29 1h95 s TYR 22 Cb 0.00 -4.36 0.03 0.00 -0.40 0.00 0.00 41.96 37.22 1h95 s TYR 22 CO 0.00 -2.01 0.49 0.20 -1.57 0.00 0.00 175.55 172.67 1h95 s GLY 23 N 4.52 2.13 -0.01 0.71 0.00 -0.40 -4.76 107.32 109.51 1h95 s GLY 23 Ca 0.55 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 1h95 s GLY 23 CO 0.26 -1.78 0.10 -0.11 0.00 0.00 0.00 173.10 171.57 1h95 s PHE 24 N -2.63 0.00 0.05 1.90 -0.12 -1.26 -0.70 117.98 115.22 1h95 s PHE 24 Ca 0.46 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.37 1h95 s PHE 24 Cb -0.04 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1h95 s PHE 24 CO 0.28 -0.17 0.02 0.42 -0.05 0.00 0.00 175.22 175.71 1h95 s ILE 25 N -0.76 4.18 -0.95 -4.49 1.01 -0.32 -4.68 121.20 115.19 1h95 s ILE 25 Ca -0.08 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1h95 s ILE 25 Cb -0.05 -2.94 0.18 0.00 0.01 0.00 0.00 42.46 39.66 1h95 s ILE 25 CO 0.01 0.23 1.05 0.21 0.00 0.00 0.00 174.94 176.43 1h95 s ASN 26 N -2.01 6.80 -0.23 3.58 2.47 -0.44 -1.20 114.94 123.91 1h95 s ASN 26 Ca 0.24 -2.52 -0.29 0.00 0.42 0.00 0.00 52.86 50.71 1h95 s ASN 26 Cb -0.12 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1h95 s ASN 26 CO 0.16 -0.79 1.82 -0.60 -3.72 0.00 0.00 177.10 173.96 1h95 s ARG 27 N 1.35 3.55 -0.10 0.43 3.00 -0.39 -1.47 118.95 125.33 1h95 s ARG 27 Ca 0.29 1.74 0.02 0.00 -1.00 0.00 0.00 55.73 56.78 1h95 s ARG 27 Cb -0.07 -4.16 0.20 0.00 0.00 0.00 0.00 34.95 30.92 1h95 s ARG 27 CO -0.08 -1.60 1.08 0.27 0.00 0.00 0.00 175.30 174.97 1h95 n ASN 28 N 9.56 2.82 -0.01 -2.12 0.23 -1.25 -0.85 115.26 123.63 1h95 n ASN 28 Ca 0.22 -2.36 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 1h95 n ASN 28 Cb 0.45 -0.57 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 1h95 n ASN 28 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1h95 h ASP 29 N 0.62 -0.04 0.00 0.53 3.58 -1.91 -3.40 116.42 115.79 1h95 h ASP 29 Ca 0.10 -0.59 -0.08 0.00 0.42 0.00 0.00 57.03 56.88 1h95 h ASP 29 Cb 1.25 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 42.17 1h95 h ASP 29 CO 0.23 0.60 -0.55 1.07 -2.88 0.00 0.00 179.24 177.71 1h95 n THR 30 N -4.80 0.00 -2.42 2.25 5.66 -1.25 -5.02 114.28 108.69 1h95 n THR 30 Ca -0.09 -0.31 -0.03 0.00 -3.05 0.00 0.00 64.05 60.57 1h95 n THR 30 Cb 0.31 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 1h95 n THR 30 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1h95 n LYS 31 N 0.16 -1.29 -4.50 1.09 4.01 -1.02 -5.04 118.16 111.56 1h95 n LYS 31 Ca -0.02 1.40 -0.34 0.00 -0.51 0.00 0.00 58.31 58.85 1h95 n LYS 31 Cb 0.81 -4.22 -0.12 0.00 -0.51 0.00 0.00 35.03 30.98 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h95 s GLU 32 N -2.39 3.36 -0.45 1.97 2.02 -0.03 -4.89 118.70 118.29 1h95 s GLU 32 Ca 0.10 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 1h95 s GLU 32 Cb -0.03 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.44 1h95 s GLU 32 CO 0.49 0.38 1.05 0.16 0.02 0.00 0.00 175.26 177.36 1h95 s ASP 33 N -0.02 6.62 -0.32 -0.19 -4.77 -1.26 -1.26 116.67 115.47 1h95 s ASP 33 Ca 0.00 0.41 -0.07 0.00 -3.30 0.00 0.00 52.55 49.59 1h95 s ASP 33 Cb -0.13 -2.51 0.02 0.00 -1.09 0.00 0.00 42.92 39.20 1h95 s ASP 33 CO 0.03 -1.14 0.10 -0.69 0.70 0.00 0.00 175.17 174.17 1h95 s VAL 34 N 4.12 3.95 -0.07 2.11 1.01 -0.34 -3.47 120.40 127.70 1h95 s VAL 34 Ca 0.44 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 1h95 s VAL 34 Cb -0.09 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1h95 s VAL 34 CO 0.28 -0.03 0.76 -0.36 0.00 0.00 0.00 175.10 175.75 1h95 s PHE 35 N 1.47 3.57 -0.11 5.22 0.40 -0.41 -1.17 117.98 126.96 1h95 s PHE 35 Ca 0.01 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 1h95 s PHE 35 Cb -0.18 -2.88 0.02 0.00 0.51 0.00 0.00 43.02 40.49 1h95 s PHE 35 CO 0.03 0.03 -0.12 0.08 0.70 0.00 0.00 175.22 175.95 1h95 s VAL 36 N 0.98 1.26 0.39 -0.44 1.01 0.12 -2.68 120.40 121.04 1h95 s VAL 36 Ca 0.40 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 1h95 s VAL 36 Cb -0.18 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1h95 s VAL 36 CO 0.19 0.40 0.61 -1.38 0.00 0.00 0.00 175.10 174.92 1h95 s HIS 37 N 1.30 3.46 0.52 5.22 -3.43 -1.26 -1.27 115.29 119.83 1h95 s HIS 37 Ca -0.01 0.40 0.18 0.00 -0.80 0.00 0.00 55.06 54.82 1h95 s HIS 37 Cb -0.14 -2.03 1.32 0.00 -1.43 0.00 0.00 32.58 30.30 1h95 s HIS 37 CO -0.05 -0.02 2.15 1.96 -2.00 0.00 0.00 174.74 176.78 1h95 h GLN 38 N 0.61 0.00 -0.30 -0.38 4.20 -1.95 -1.71 115.11 115.57 1h95 h GLN 38 Ca -0.49 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1h95 h GLN 38 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1h95 h GLN 38 CO 0.61 0.02 0.09 1.15 -0.67 0.00 0.00 178.83 180.03 1h95 h THR 39 N 0.00 1.13 0.00 -0.54 2.02 -1.96 -2.49 112.91 111.07 1h95 h THR 39 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1h95 h THR 39 Cb 0.04 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1h95 h THR 39 CO 0.00 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1h95 h ALA 40 N 1.69 1.00 -2.14 6.16 0.00 -1.67 -3.43 119.26 120.88 1h95 h ALA 40 Ca 0.10 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.39 1h95 h ALA 40 Cb 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 1h95 h ALA 40 CO -0.01 0.00 0.34 0.42 0.00 0.00 0.00 179.25 180.00 1h95 s ILE 41 N -3.34 4.71 0.02 0.00 1.01 -0.94 -2.48 121.20 120.18 1h95 s ILE 41 Ca 0.05 0.65 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1h95 s ILE 41 Cb 0.09 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 1h95 s ILE 41 CO 0.54 -0.55 -0.18 -0.54 0.00 0.00 0.00 174.94 174.20 1h95 s LYS 42 N 3.14 1.34 -0.09 2.79 1.02 -1.21 -5.01 119.74 121.73 1h95 s LYS 42 Ca 0.30 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 1h95 s LYS 42 Cb -0.13 -1.37 0.05 0.00 -0.52 0.00 0.00 37.83 35.85 1h95 s LYS 42 CO 0.19 0.36 0.19 0.21 -0.92 0.00 0.00 175.35 175.39 1h95 s LYS 43 N -0.85 0.13 -0.16 1.68 2.20 -1.26 -4.40 119.74 117.08 1h95 s LYS 43 Ca 0.06 0.49 -0.14 0.00 -0.36 0.00 0.00 55.97 56.02 1h95 s LYS 43 Cb -0.08 -0.16 -0.23 0.00 -1.51 0.00 0.00 37.83 35.85 1h95 s LYS 43 CO 0.01 -0.20 0.31 -2.95 -0.36 0.00 0.00 175.35 172.16 1h95 h ASN 44 N 7.48 0.23 -3.46 1.43 -1.07 -1.99 -3.45 115.58 114.75 1h95 h ASN 44 Ca -0.36 -0.74 -0.72 0.00 0.07 0.00 0.00 56.30 54.55 1h95 h ASN 44 Cb 1.14 -0.07 -0.22 0.00 -2.07 0.00 0.00 38.32 37.10 1h95 h ASN 44 CO 0.34 1.68 -0.42 0.20 0.07 0.00 0.00 177.43 179.30 1h95 s ASN 45 N -6.96 6.07 0.06 6.14 0.01 -1.26 -5.06 114.94 113.94 1h95 s ASN 45 Ca -0.25 -1.02 -0.31 0.00 -0.71 0.00 0.00 52.86 50.57 1h95 s ASN 45 Cb 0.06 -2.15 -0.07 0.00 0.41 0.00 0.00 41.25 39.50 1h95 s ASN 45 CO 0.69 -0.49 1.43 -2.16 -1.51 0.00 0.00 177.10 175.06 1h95 s PRO 46 N 1.65 4.29 0.17 -0.60 0.04 -1.26 -5.01 135.00 134.28 1h95 s PRO 46 Ca 0.04 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.18 1h95 s PRO 46 Cb -0.20 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1h95 s PRO 46 CO 0.09 -0.54 0.29 0.50 0.04 0.00 0.00 177.00 177.38 1h95 s ARG 47 N 1.85 3.39 -0.06 4.56 3.52 -1.26 -5.03 118.95 125.92 1h95 s ARG 47 Ca 0.66 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 1h95 s ARG 47 Cb -0.35 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1h95 s ARG 47 CO 0.29 0.50 1.37 0.21 -0.81 0.00 0.00 175.30 176.85 1h95 s LYS 48 N -3.40 4.27 0.11 5.12 2.47 -1.26 -4.82 119.74 122.23 1h95 s LYS 48 Ca 0.34 1.87 0.00 0.00 -1.56 0.00 0.00 55.97 56.62 1h95 s LYS 48 Cb -0.10 -3.68 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 1h95 s LYS 48 CO 0.28 -0.63 0.00 0.98 0.16 0.00 0.00 175.35 176.14 1h95 n TYR 49 N 5.94 -0.81 -3.15 4.03 9.36 -1.26 -4.93 117.16 126.34 1h95 n TYR 49 Ca 0.14 0.43 -0.39 0.00 3.32 0.00 0.00 57.90 61.40 1h95 n TYR 49 Cb 0.44 -0.74 -0.06 0.00 -0.63 0.00 0.00 39.34 38.36 1h95 n TYR 49 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 1h95 s LEU 50 N -5.23 4.56 0.03 2.98 2.34 -1.26 -4.78 118.68 117.32 1h95 s LEU 50 Ca 0.00 1.42 0.00 0.00 0.06 0.00 0.00 54.13 55.61 1h95 s LEU 50 Cb 0.00 -3.06 0.00 0.00 -0.56 0.00 0.00 46.19 42.57 1h95 s LEU 50 CO 0.00 0.25 0.00 0.54 -1.06 0.00 0.00 176.35 176.08 1h95 n ARG 51 N 1.68 -2.34 0.00 1.48 1.74 -1.26 -5.05 116.66 112.91 1h95 n ARG 51 Ca -0.08 1.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.96 1h95 n ARG 51 Cb 0.50 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1h95 n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h95 n SER 52 N 0.82 0.00 -0.05 0.55 2.88 -1.26 -4.85 113.62 111.71 1h95 n SER 52 Ca 0.00 0.45 -0.11 0.00 -1.33 0.00 0.00 58.87 57.88 1h95 n SER 52 Cb 0.00 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.94 1h95 n SER 52 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1h95 n VAL 53 N -1.98 0.91 0.00 2.46 0.31 -1.26 -5.14 118.33 113.64 1h95 n VAL 53 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1h95 n VAL 53 Cb 0.00 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1h95 n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1h95 n GLY 54 N 2.29 -0.46 3.75 2.92 0.00 -1.26 -5.12 105.19 107.31 1h95 n GLY 54 Ca -0.20 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1h95 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h95 s ASP 55 N -4.00 5.15 0.00 1.61 1.01 -1.26 -4.69 116.67 114.49 1h95 s ASP 55 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1h95 s ASP 55 Cb 0.00 -1.20 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1h95 s ASP 55 CO 0.00 0.00 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1h95 n GLY 56 N -0.88 0.93 3.81 0.21 0.00 0.13 -5.01 105.19 104.37 1h95 n GLY 56 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1h95 n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h95 s GLU 57 N -0.98 1.88 0.11 1.61 -1.05 -1.22 -4.65 118.70 114.41 1h95 s GLU 57 Ca 0.00 0.50 -0.05 0.00 -0.15 0.00 0.00 54.97 55.27 1h95 s GLU 57 Cb 0.00 -1.91 -0.05 0.00 -0.44 0.00 0.00 34.13 31.73 1h95 s GLU 57 CO 0.00 -1.73 0.35 0.95 0.95 0.00 0.00 175.26 175.78 1h95 s THR 58 N -3.23 5.19 0.02 1.83 -4.23 -1.26 -1.16 115.64 112.80 1h95 s THR 58 Ca 0.61 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1h95 s THR 58 Cb -0.14 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1h95 s THR 58 CO 0.53 0.11 0.22 0.54 -0.54 0.00 0.00 174.62 175.48 1h95 s VAL 59 N -1.58 0.09 0.04 2.29 0.11 -1.19 -4.92 120.40 115.23 1h95 s VAL 59 Ca 0.38 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1h95 s VAL 59 Cb -0.12 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1h95 s VAL 59 CO 0.23 -0.42 0.10 -1.61 -3.33 0.00 0.00 175.10 170.07 1h95 s GLU 60 N -2.15 3.03 0.28 1.54 2.02 -1.26 -3.41 118.70 118.75 1h95 s GLU 60 Ca -0.08 -0.56 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 1h95 s GLU 60 Cb -0.03 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.40 1h95 s GLU 60 CO -0.01 0.61 0.71 -0.59 0.02 0.00 0.00 175.26 175.99 1h95 s PHE 61 N -1.31 -0.19 0.06 1.61 -0.71 -0.34 -1.46 117.98 115.64 1h95 s PHE 61 Ca 0.27 -0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 55.85 1h95 s PHE 61 Cb -0.12 0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 1h95 s PHE 61 CO 0.19 -1.22 0.30 -0.51 -1.34 0.00 0.00 175.22 172.63 1h95 s ASP 62 N -2.92 6.47 -0.58 1.98 1.01 -0.16 0.30 116.67 122.77 1h95 s ASP 62 Ca 0.11 0.52 -0.09 0.00 0.71 0.00 0.00 52.55 53.80 1h95 s ASP 62 Cb -0.06 -2.07 0.15 0.00 1.01 0.00 0.00 42.92 41.96 1h95 s ASP 62 CO 0.06 0.17 0.45 -0.69 0.21 0.00 0.00 175.17 175.37 1h95 s VAL 63 N -1.46 4.37 -0.31 -1.27 1.01 0.13 -3.09 120.40 119.77 1h95 s VAL 63 Ca 0.34 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1h95 s VAL 63 Cb -0.13 -3.83 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1h95 s VAL 63 CO 0.21 -0.85 0.08 0.68 0.00 0.00 0.00 175.10 175.22 1h95 s VAL 64 N 0.77 1.14 0.00 2.92 -7.23 -0.53 -1.36 120.40 116.12 1h95 s VAL 64 Ca 0.11 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1h95 s VAL 64 Cb -0.22 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1h95 s VAL 64 CO -0.03 -0.62 0.00 1.21 -0.31 0.00 0.00 175.10 175.35 1h95 n GLU 65 N 4.74 0.00 0.00 4.82 4.07 -1.26 -4.05 120.64 128.96 1h95 n GLU 65 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1h95 n GLU 65 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1h95 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1h95 n GLY 66 N 0.00 4.33 0.11 8.31 0.00 -1.26 -2.77 105.19 113.91 1h95 n GLY 66 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 1h95 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h95 n GLU 67 N 0.00 0.68 -0.12 1.61 1.02 -1.26 -2.85 120.64 119.72 1h95 n GLU 67 Ca 0.00 0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.26 1h95 n GLU 67 Cb 0.00 -1.64 0.11 0.00 -0.02 0.00 0.00 31.44 29.89 1h95 n GLU 67 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h95 h LYS 68 N 0.02 0.85 0.00 3.49 1.79 -1.98 -3.46 116.57 117.27 1h95 h LYS 68 Ca -0.46 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.75 1h95 h LYS 68 Cb 2.05 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1h95 h LYS 68 CO 0.03 0.88 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 1h95 n GLY 69 N -0.49 2.82 3.27 3.86 0.00 -1.26 -5.15 105.19 108.24 1h95 n GLY 69 Ca 0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1h95 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h95 s ALA 70 N -1.00 1.57 0.26 4.61 0.00 -1.23 -4.04 121.76 121.93 1h95 s ALA 70 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1h95 s ALA 70 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1h95 s ALA 70 CO 0.00 -0.01 0.16 -2.00 0.00 0.00 0.00 175.76 173.91 1h95 s GLU 71 N -3.43 1.42 0.04 0.00 2.12 -1.26 -1.29 118.70 116.30 1h95 s GLU 71 Ca 0.16 -1.78 -0.07 0.00 0.36 0.00 0.00 54.97 53.63 1h95 s GLU 71 Cb -0.00 0.14 -0.00 0.00 0.26 0.00 0.00 34.13 34.53 1h95 s GLU 71 CO 0.02 -0.44 0.14 0.00 -0.54 0.00 0.00 175.26 174.44 1h95 s ALA 72 N -3.85 -0.20 0.14 6.30 0.00 -1.09 -1.45 121.76 121.60 1h95 s ALA 72 Ca 0.38 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1h95 s ALA 72 Cb 0.06 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1h95 s ALA 72 CO 0.16 -0.33 0.32 0.00 0.00 0.00 0.00 175.76 175.91 1h95 s ALA 73 N -2.54 -0.39 -1.20 0.00 0.00 -1.18 -4.85 121.76 111.60 1h95 s ALA 73 Ca -0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1h95 s ALA 73 Cb -0.01 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1h95 s ALA 73 CO -0.04 -0.63 0.81 0.09 0.00 0.00 0.00 175.76 175.98 1h95 n ASN 74 N -0.19 -3.43 -4.70 0.00 3.02 -1.26 -0.99 115.26 107.71 1h95 n ASN 74 Ca -0.12 -0.81 -0.40 0.00 -0.03 0.00 0.00 54.58 53.22 1h95 n ASN 74 Cb 0.63 -4.32 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h95 s VAL 75 N -3.52 5.04 0.45 2.41 1.01 -1.03 -4.37 120.40 120.38 1h95 s VAL 75 Ca 0.21 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1h95 s VAL 75 Cb -0.05 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.42 1h95 s VAL 75 CO 0.80 0.20 0.61 0.35 0.00 0.00 0.00 175.10 177.06 1h95 n THR 76 N 4.12 0.00 -3.01 3.92 -2.24 -0.54 -3.30 114.28 113.24 1h95 n THR 76 Ca -0.01 -1.08 -0.15 0.00 -2.27 0.00 0.00 64.05 60.54 1h95 n THR 76 Cb 0.51 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1h95 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h95 n GLY 77 N 0.14 0.99 3.84 3.38 0.00 -1.26 -4.69 105.19 107.58 1h95 n GLY 77 Ca 0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1h95 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h95 s PRO 78 N 0.18 2.77 0.00 1.61 0.04 -1.26 -4.85 135.00 133.49 1h95 s PRO 78 Ca 0.32 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1h95 s PRO 78 Cb 0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1h95 s PRO 78 CO -0.15 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.15