#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b34 h LEU 3 N 0.00 0.21 -0.79 -0.35 3.38 -2.02 -2.96 115.31 112.77 1b34 h LEU 3 Ca 0.00 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1b34 h LEU 3 Cb 0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1b34 h LEU 3 CO 0.00 1.14 0.43 -0.37 0.09 0.00 0.00 178.44 179.73 1b34 h VAL 4 N 0.04 0.86 -0.55 1.22 -1.51 -2.00 -1.75 116.25 112.57 1b34 h VAL 4 Ca -0.06 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1b34 h VAL 4 Cb 1.82 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1b34 h VAL 4 CO 0.16 0.13 0.25 0.03 -1.23 0.00 0.00 177.57 176.91 1b34 h ARG 5 N 0.70 0.79 -0.68 5.19 3.08 -1.96 -2.23 114.38 119.27 1b34 h ARG 5 Ca 0.40 -0.13 0.12 0.00 0.07 0.00 0.00 59.98 60.44 1b34 h ARG 5 Cb 0.42 -0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.20 1b34 h ARG 5 CO -0.27 0.66 -0.30 0.35 -1.07 0.00 0.00 179.97 179.34 1b34 h PHE 6 N 0.74 -0.81 -0.61 3.04 3.04 -1.16 0.37 116.94 121.55 1b34 h PHE 6 Ca 0.19 0.08 0.08 0.00 3.98 0.00 0.00 57.97 62.29 1b34 h PHE 6 Cb 0.14 0.46 -0.06 0.00 2.56 0.00 0.00 35.95 39.05 1b34 h PHE 6 CO -0.00 -0.37 0.28 -0.07 -2.02 0.00 0.00 178.31 176.13 1b34 h LEU 7 N -0.10 0.35 -1.47 0.59 3.38 -1.23 -2.42 115.31 114.41 1b34 h LEU 7 Ca 0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1b34 h LEU 7 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1b34 h LEU 7 CO -0.74 0.22 0.00 0.24 0.09 0.00 0.00 178.44 178.25 1b34 h MET 8 N 0.50 0.00 -0.38 1.13 2.86 0.30 0.43 114.93 119.77 1b34 h MET 8 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1b34 h MET 8 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1b34 h MET 8 CO -0.24 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.36 1b34 n LYS 9 N -2.44 2.01 -0.92 1.72 5.02 -0.55 -4.31 118.16 118.68 1b34 n LYS 9 Ca -0.01 -1.55 -0.10 0.00 -2.02 0.00 0.00 58.31 54.64 1b34 n LYS 9 Cb 0.11 -1.37 0.23 0.00 -0.02 0.00 0.00 35.03 33.98 1b34 n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1b34 n LEU 10 N 0.76 5.69 -4.73 -0.35 4.77 0.14 -4.95 117.00 118.33 1b34 n LEU 10 Ca 0.16 -2.98 -0.42 0.00 -0.03 0.00 0.00 56.01 52.74 1b34 n LEU 10 Cb 0.39 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1b34 n LEU 10 CO 0.11 0.80 1.12 -0.94 -1.33 0.00 0.00 177.39 177.16 1b34 s SER 11 N -0.82 6.68 0.00 -1.43 1.04 -1.26 -2.41 113.70 115.50 1b34 s SER 11 Ca 0.47 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.47 1b34 s SER 11 Cb 0.38 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1b34 s SER 11 CO 0.11 -0.71 0.00 1.41 0.98 0.00 0.00 173.24 175.02 1b34 n HIS 12 N 3.13 0.00 -2.67 5.02 8.25 0.15 -4.98 115.22 124.12 1b34 n HIS 12 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1b34 n HIS 12 Cb 0.40 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 1b34 n HIS 12 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1b34 s GLU 13 N -0.02 4.24 -0.15 -0.41 0.41 -1.01 -4.79 118.70 116.97 1b34 s GLU 13 Ca 0.00 1.36 -0.06 0.00 -0.41 0.00 0.00 54.97 55.86 1b34 s GLU 13 Cb 0.00 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1b34 s GLU 13 CO 0.00 -0.04 0.06 0.99 -0.49 0.00 0.00 175.26 175.78 1b34 s THR 14 N -1.81 4.82 0.11 3.63 2.01 -1.26 -0.32 115.64 122.81 1b34 s THR 14 Ca 0.58 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 1b34 s THR 14 Cb -0.17 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1b34 s THR 14 CO 0.22 0.52 0.09 0.68 -0.69 0.00 0.00 174.62 175.44 1b34 s VAL 15 N -0.16 0.14 -0.20 3.82 -7.23 -0.55 -4.23 120.40 112.00 1b34 s VAL 15 Ca 0.07 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1b34 s VAL 15 Cb -0.12 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1b34 s VAL 15 CO 0.01 -0.62 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.18 1b34 s THR 16 N -3.97 2.81 -0.20 5.32 2.01 -0.94 -2.12 115.64 118.54 1b34 s THR 16 Ca 0.15 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 1b34 s THR 16 Cb 0.07 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1b34 s THR 16 CO -0.04 0.48 0.15 -0.63 -0.69 0.00 0.00 174.62 173.88 1b34 s ILE 17 N 1.35 5.40 -0.22 1.82 1.01 0.26 0.03 121.20 130.85 1b34 s ILE 17 Ca 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 1b34 s ILE 17 Cb -0.14 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1b34 s ILE 17 CO -0.07 0.43 0.24 -0.70 0.00 0.00 0.00 174.94 174.84 1b34 s GLU 18 N 0.43 4.12 0.42 2.79 2.12 -0.10 0.18 118.70 128.67 1b34 s GLU 18 Ca 0.09 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.18 1b34 s GLU 18 Cb -0.11 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 1b34 s GLU 18 CO -0.01 0.06 0.84 -0.51 -0.54 0.00 0.00 175.26 175.10 1b34 s LEU 19 N 1.04 3.84 0.55 2.70 1.43 0.13 0.42 118.68 128.79 1b34 s LEU 19 Ca 0.12 1.34 0.37 0.00 -1.03 0.00 0.00 54.13 54.92 1b34 s LEU 19 Cb -0.14 -4.21 1.55 0.00 0.03 0.00 0.00 46.19 43.42 1b34 s LEU 19 CO 0.05 -0.40 1.79 0.11 0.23 0.00 0.00 176.35 178.13 1b34 h LYS 20 N 1.45 0.00 -0.04 1.70 1.57 -1.62 1.50 116.57 121.12 1b34 h LYS 20 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1b34 h LYS 20 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1b34 h LYS 20 CO 0.63 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.78 1b34 n ASN 21 N -4.14 0.67 0.00 0.86 0.23 -1.26 -4.89 115.26 106.72 1b34 n ASN 21 Ca 0.26 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.90 1b34 n ASN 21 Cb 1.26 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.94 1b34 n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b34 n GLY 22 N 0.99 0.77 3.70 4.83 0.00 0.51 -4.83 105.19 111.17 1b34 n GLY 22 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1b34 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b34 n THR 23 N -2.43 2.31 -3.85 2.61 -1.04 -1.25 -4.34 114.28 106.29 1b34 n THR 23 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1b34 n THR 23 Cb 0.00 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 66.81 1b34 n THR 23 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b34 s GLN 24 N -2.07 3.23 -0.32 -2.82 0.74 -0.16 -0.69 119.66 117.58 1b34 s GLN 24 Ca 0.59 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 1b34 s GLN 24 Cb -0.53 -3.16 0.04 0.00 1.10 0.00 0.00 33.01 30.46 1b34 s GLN 24 CO 0.60 -0.31 0.06 0.08 -0.55 0.00 0.00 175.29 175.17 1b34 s VAL 25 N 1.48 3.56 -0.18 1.34 1.01 0.13 0.03 120.40 127.76 1b34 s VAL 25 Ca 0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1b34 s VAL 25 Cb -0.16 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1b34 s VAL 25 CO -0.01 -0.09 0.26 -2.28 0.00 0.00 0.00 175.10 172.98 1b34 s HIS 26 N 1.38 3.43 0.02 5.22 2.46 0.36 0.90 115.29 129.06 1b34 s HIS 26 Ca -0.02 0.51 -0.26 0.00 0.47 0.00 0.00 55.06 55.77 1b34 s HIS 26 Cb -0.19 -2.32 0.09 0.00 -0.13 0.00 0.00 32.58 30.03 1b34 s HIS 26 CO 0.01 0.21 1.20 0.41 -2.47 0.00 0.00 174.74 174.10 1b34 n GLY 27 N 3.55 0.31 3.62 1.59 0.00 -0.90 0.10 105.19 113.46 1b34 n GLY 27 Ca -0.13 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1b34 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b34 s THR 28 N -2.03 5.00 0.27 2.61 2.01 -0.48 -1.48 115.64 121.54 1b34 s THR 28 Ca 0.28 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1b34 s THR 28 Cb -0.01 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.10 1b34 s THR 28 CO 0.01 0.39 1.29 -0.63 -0.69 0.00 0.00 174.62 174.99 1b34 s ILE 29 N 0.86 3.00 -0.03 1.82 1.01 0.56 -0.99 121.20 127.43 1b34 s ILE 29 Ca 0.06 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.67 1b34 s ILE 29 Cb -0.13 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1b34 s ILE 29 CO 0.03 0.18 0.03 0.35 0.00 0.00 0.00 174.94 175.53 1b34 n THR 30 N 1.65 0.22 -3.56 2.92 -2.24 0.14 0.31 114.28 113.72 1b34 n THR 30 Ca 0.03 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1b34 n THR 30 Cb 0.42 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 1b34 n THR 30 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1b34 s GLY 31 N -3.30 -0.35 -0.04 3.38 0.00 -1.17 -4.78 107.32 101.06 1b34 s GLY 31 Ca -0.02 1.84 0.02 0.00 0.00 0.00 0.00 44.72 46.56 1b34 s GLY 31 CO 0.16 1.02 -0.08 0.14 0.00 0.00 0.00 173.10 174.35 1b34 s VAL 32 N -1.11 0.74 0.24 1.40 1.01 -1.26 -1.47 120.40 119.95 1b34 s VAL 32 Ca -0.04 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1b34 s VAL 32 Cb -0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1b34 s VAL 32 CO 0.04 0.25 0.19 1.51 0.00 0.00 0.00 175.10 177.09 1b34 s ASP 33 N 0.50 5.52 0.44 3.32 1.47 -0.85 -4.62 116.67 122.46 1b34 s ASP 33 Ca -0.08 -0.24 0.34 0.00 1.18 0.00 0.00 52.55 53.76 1b34 s ASP 33 Cb -0.12 -1.41 1.18 0.00 -0.34 0.00 0.00 42.92 42.23 1b34 s ASP 33 CO 0.01 -0.03 1.16 0.55 0.68 0.00 0.00 175.17 177.54 1b34 n VAL 34 N -1.09 0.00 0.99 2.11 3.14 -1.26 0.16 118.33 122.37 1b34 n VAL 34 Ca -0.08 1.11 0.08 0.00 -2.96 0.00 0.00 64.34 62.49 1b34 n VAL 34 Cb 0.58 -1.88 0.25 0.00 -1.06 0.00 0.00 33.84 31.72 1b34 n VAL 34 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1b34 n SER 35 N -3.30 1.86 -0.19 6.55 7.64 -1.26 -4.93 113.62 119.98 1b34 n SER 35 Ca 0.30 -1.88 -0.03 0.00 1.01 0.00 0.00 58.87 58.28 1b34 n SER 35 Cb 1.47 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 64.47 1b34 n SER 35 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1b34 n MET 36 N 0.48 -0.78 -1.71 1.43 2.81 0.42 -4.39 117.12 115.38 1b34 n MET 36 Ca 0.14 0.38 -0.43 0.00 -1.81 0.00 0.00 57.70 55.99 1b34 n MET 36 Cb 0.32 -4.09 -0.03 0.00 -0.71 0.00 0.00 33.22 28.71 1b34 n MET 36 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1b34 n ASN 37 N -0.14 3.91 -4.09 7.83 3.02 -1.25 -3.49 115.26 121.05 1b34 n ASN 37 Ca -0.03 1.06 -0.26 0.00 -0.03 0.00 0.00 54.58 55.32 1b34 n ASN 37 Cb 0.23 -1.56 -0.16 0.00 -0.61 0.00 0.00 39.78 37.68 1b34 n ASN 37 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1b34 s THR 38 N 1.16 1.39 -0.15 3.41 2.01 0.37 -2.00 115.64 121.82 1b34 s THR 38 Ca 0.76 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1b34 s THR 38 Cb -0.52 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1b34 s THR 38 CO 0.33 0.41 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.55 1b34 s HIS 39 N 0.42 2.84 0.30 4.92 0.09 -0.54 -0.15 115.29 123.16 1b34 s HIS 39 Ca -0.12 -0.73 0.09 0.00 -0.00 0.00 0.00 55.06 54.30 1b34 s HIS 39 Cb -0.15 -1.89 -0.06 0.00 -0.00 0.00 0.00 32.58 30.48 1b34 s HIS 39 CO 0.04 -0.29 -0.11 -0.51 -0.00 0.00 0.00 174.74 173.87 1b34 s LEU 40 N 0.57 2.61 0.14 0.89 1.43 0.65 0.24 118.68 125.22 1b34 s LEU 40 Ca -0.07 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 51.94 1b34 s LEU 40 Cb -0.15 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1b34 s LEU 40 CO 0.03 -0.18 -0.11 -1.59 0.23 0.00 0.00 176.35 174.73 1b34 s LYS 41 N -3.62 1.05 -0.77 1.70 -2.85 -0.16 -1.77 119.74 113.31 1b34 s LYS 41 Ca 0.30 -1.38 -0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1b34 s LYS 41 Cb 0.01 -0.70 0.00 0.00 -2.06 0.00 0.00 37.83 35.08 1b34 s LYS 41 CO 0.14 0.10 0.66 0.00 0.10 0.00 0.00 175.35 176.35 1b34 n ALA 42 N 0.02 -2.63 -2.73 0.59 0.00 -0.13 -1.38 120.51 114.24 1b34 n ALA 42 Ca -0.12 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 1b34 n ALA 42 Cb 0.60 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 1b34 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b34 s VAL 43 N -2.98 4.60 -0.25 0.00 1.01 0.14 -4.07 120.40 118.84 1b34 s VAL 43 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1b34 s VAL 43 Cb -0.00 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.49 1b34 s VAL 43 CO 0.81 0.61 -0.04 -0.75 0.00 0.00 0.00 175.10 175.73 1b34 s LYS 44 N -0.93 1.65 -0.25 2.72 2.20 0.28 -1.09 119.74 124.33 1b34 s LYS 44 Ca 0.14 -1.12 -0.09 0.00 -0.36 0.00 0.00 55.97 54.53 1b34 s LYS 44 Cb -0.11 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 1b34 s LYS 44 CO 0.03 -0.65 0.12 1.41 -0.36 0.00 0.00 175.35 175.91 1b34 s MET 45 N 1.32 3.88 -0.34 4.03 -2.45 0.39 -0.49 119.30 125.65 1b34 s MET 45 Ca -0.04 -0.37 -0.02 0.00 -1.25 0.00 0.00 55.69 54.02 1b34 s MET 45 Cb -0.19 -3.45 0.07 0.00 1.25 0.00 0.00 34.83 32.51 1b34 s MET 45 CO -0.07 -0.06 0.07 0.99 1.05 0.00 0.00 175.02 176.99 1b34 s THR 46 N 1.35 3.03 0.38 10.11 2.01 0.10 -0.72 115.64 131.91 1b34 s THR 46 Ca 0.06 -1.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.12 1b34 s THR 46 Cb -0.15 -2.89 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1b34 s THR 46 CO 0.06 -0.33 1.37 -0.76 -0.69 0.00 0.00 174.62 174.27 1b34 s LEU 47 N 1.19 4.29 -0.41 4.42 1.43 -1.26 -0.98 118.68 127.35 1b34 s LEU 47 Ca 0.00 2.82 -0.41 0.00 -1.03 0.00 0.00 54.13 55.51 1b34 s LEU 47 Cb -0.21 -3.77 -0.16 0.00 0.03 0.00 0.00 46.19 42.08 1b34 s LEU 47 CO -0.03 -0.81 1.98 0.29 0.23 0.00 0.00 176.35 178.01 1b34 n LYS 48 N 0.37 0.54 -2.51 1.70 4.76 -1.26 -2.12 118.16 119.63 1b34 n LYS 48 Ca 0.02 0.17 -0.08 0.00 -2.87 0.00 0.00 58.31 55.55 1b34 n LYS 48 Cb 0.42 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 1b34 n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1b34 n ASN 49 N 7.06 -3.20 -3.88 4.39 3.02 -1.26 -5.03 115.26 116.37 1b34 n ASN 49 Ca 0.41 -0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.75 1b34 n ASN 49 Cb 0.06 -2.15 -0.10 0.00 -0.61 0.00 0.00 39.78 36.98 1b34 n ASN 49 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1b34 s ARG 50 N -4.91 0.41 0.62 3.52 0.52 -0.90 -5.15 118.95 113.06 1b34 s ARG 50 Ca 0.10 -0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 54.81 1b34 s ARG 50 Cb -0.05 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 1b34 s ARG 50 CO 0.13 -0.09 1.27 -0.85 0.02 0.00 0.00 175.30 175.78 1b34 n GLU 51 N 1.75 1.23 -2.76 3.54 0.28 -1.26 -4.41 120.64 119.01 1b34 n GLU 51 Ca -0.21 0.47 -0.33 0.00 -0.16 0.00 0.00 57.16 56.94 1b34 n GLU 51 Cb 0.56 -2.50 -0.06 0.00 1.43 0.00 0.00 31.44 30.87 1b34 n GLU 51 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1b34 s PRO 52 N -3.17 4.14 -0.20 3.44 0.04 -1.26 -4.71 135.00 133.28 1b34 s PRO 52 Ca 0.79 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1b34 s PRO 52 Cb -0.39 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1b34 s PRO 52 CO 0.43 -0.06 0.05 0.08 0.04 0.00 0.00 177.00 177.54 1b34 s VAL 53 N -2.26 4.55 -0.01 -0.36 1.01 0.10 -4.95 120.40 118.49 1b34 s VAL 53 Ca 0.60 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1b34 s VAL 53 Cb -0.09 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1b34 s VAL 53 CO 0.17 0.43 0.54 -1.10 0.00 0.00 0.00 175.10 175.14 1b34 s GLN 54 N 0.73 4.24 -0.02 2.72 -1.52 -1.26 -0.46 119.66 124.08 1b34 s GLN 54 Ca 0.03 0.64 -0.08 0.00 -1.95 0.00 0.00 55.36 54.00 1b34 s GLN 54 Cb -0.13 -3.32 0.01 0.00 -0.22 0.00 0.00 33.01 29.35 1b34 s GLN 54 CO 0.02 0.43 0.17 -0.51 -0.25 0.00 0.00 175.29 175.16 1b34 s LEU 55 N -0.37 1.39 0.04 2.90 1.43 -0.25 -4.99 118.68 118.84 1b34 s LEU 55 Ca 0.29 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.21 1b34 s LEU 55 Cb -0.18 0.72 -0.14 0.00 0.03 0.00 0.00 46.19 46.62 1b34 s LEU 55 CO 0.16 -0.27 1.35 -0.33 0.23 0.00 0.00 176.35 177.49 1b34 h GLU 56 N 4.79 0.34 -4.44 1.70 5.08 -1.96 0.39 114.58 120.49 1b34 h GLU 56 Ca -0.29 -0.18 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 1b34 h GLU 56 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 1b34 h GLU 56 CO 0.40 0.72 -0.70 0.95 -1.00 0.00 0.00 179.01 179.38 1b34 s THR 57 N -4.34 0.45 -0.11 1.13 -4.23 -1.26 -0.96 115.64 106.33 1b34 s THR 57 Ca -0.14 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 58.59 1b34 s THR 57 Cb 0.05 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.56 1b34 s THR 57 CO 0.75 -0.83 0.28 -0.22 -0.54 0.00 0.00 174.62 174.07 1b34 s LEU 58 N -2.68 0.74 -0.13 4.79 2.96 -0.73 -4.95 118.68 118.68 1b34 s LEU 58 Ca 0.05 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1b34 s LEU 58 Cb 0.03 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 1b34 s LEU 58 CO -0.06 -0.12 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.21 1b34 s SER 59 N 0.48 4.37 -0.06 3.68 0.15 -1.26 -0.25 113.70 120.82 1b34 s SER 59 Ca -0.03 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1b34 s SER 59 Cb -0.04 -1.60 -0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1b34 s SER 59 CO -0.03 0.19 -0.19 -0.63 1.20 0.00 0.00 173.24 173.79 1b34 s ILE 60 N 0.20 1.58 0.04 6.45 1.01 0.78 -4.97 121.20 126.29 1b34 s ILE 60 Ca -0.05 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 1b34 s ILE 60 Cb -0.15 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1b34 s ILE 60 CO 0.04 0.45 1.52 -0.13 0.00 0.00 0.00 174.94 176.82 1b34 s ARG 61 N 0.18 4.24 0.32 2.79 0.52 -1.26 -0.48 118.95 125.26 1b34 s ARG 61 Ca -0.09 2.15 0.10 0.00 -0.52 0.00 0.00 55.73 57.37 1b34 s ARG 61 Cb -0.14 -3.55 0.90 0.00 0.52 0.00 0.00 34.95 32.68 1b34 s ARG 61 CO 0.04 -0.64 1.71 0.78 0.02 0.00 0.00 175.30 177.21 1b34 h GLY 62 N 8.30 1.90 2.00 -3.53 0.00 -1.76 0.64 103.07 110.61 1b34 h GLY 62 Ca -0.40 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1b34 h GLY 62 CO 0.91 -0.29 0.00 3.45 0.00 0.00 0.00 176.54 180.62 1b34 h ASN 63 N 0.52 0.00 -0.16 0.19 -1.07 -1.88 -1.87 115.58 111.31 1b34 h ASN 63 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.02 1b34 h ASN 63 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1b34 h ASN 63 CO -0.50 0.00 0.00 -3.20 0.07 0.00 0.00 177.43 173.80 1b34 n ASN 64 N -2.38 1.80 -4.81 6.14 4.05 0.22 -4.93 115.26 115.36 1b34 n ASN 64 Ca 0.01 -1.70 -0.36 0.00 0.45 0.00 0.00 54.58 52.98 1b34 n ASN 64 Cb 0.21 -0.10 -0.07 0.00 1.23 0.00 0.00 39.78 41.05 1b34 n ASN 64 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1b34 s ILE 65 N -1.81 5.25 -0.19 -1.44 1.01 -0.71 -1.72 121.20 121.60 1b34 s ILE 65 Ca 0.33 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 1b34 s ILE 65 Cb 0.18 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 1b34 s ILE 65 CO 0.28 0.58 -0.24 -1.14 0.00 0.00 0.00 174.94 174.41 1b34 n ARG 66 N 2.33 0.52 -3.52 2.79 0.63 0.17 -4.73 116.66 114.86 1b34 n ARG 66 Ca -0.19 0.35 -0.11 0.00 -0.92 0.00 0.00 57.85 56.98 1b34 n ARG 66 Cb 0.54 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.87 1b34 n ARG 66 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1b34 s TYR 67 N -2.59 -0.40 -0.37 -0.14 -0.85 -1.15 -5.00 117.35 106.84 1b34 s TYR 67 Ca -0.26 0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.29 1b34 s TYR 67 Cb 0.05 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1b34 s TYR 67 CO 0.39 -0.81 0.27 -0.06 -1.52 0.00 0.00 175.55 173.82 1b34 s PHE 68 N -3.78 3.23 -0.66 -3.49 0.40 -1.26 -0.92 117.98 111.51 1b34 s PHE 68 Ca 0.02 -0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 55.70 1b34 s PHE 68 Cb -0.00 -2.54 -0.00 0.00 0.51 0.00 0.00 43.02 40.99 1b34 s PHE 68 CO -0.12 -0.47 1.67 0.42 0.70 0.00 0.00 175.22 177.42 1b34 s ILE 69 N 1.71 3.48 0.66 0.64 1.01 0.11 -4.96 121.20 123.85 1b34 s ILE 69 Ca 0.06 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 1b34 s ILE 69 Cb -0.18 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 1b34 s ILE 69 CO 0.10 -1.23 1.07 -0.76 0.00 0.00 0.00 174.94 174.13 1b34 s LEU 70 N 7.98 3.30 0.31 2.97 1.43 -1.26 -2.22 118.68 131.19 1b34 s LEU 70 Ca 0.57 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 55.17 1b34 s LEU 70 Cb -0.11 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.48 1b34 s LEU 70 CO 0.18 -1.47 1.39 -2.84 0.23 0.00 0.00 176.35 173.85 1b34 s PRO 71 N -4.49 4.27 0.37 1.29 0.02 -1.26 -4.93 135.00 130.26 1b34 s PRO 71 Ca 0.62 2.33 0.15 0.00 0.02 0.00 0.00 61.00 64.12 1b34 s PRO 71 Cb -0.16 -3.06 1.02 0.00 0.02 0.00 0.00 34.50 32.32 1b34 s PRO 71 CO 0.46 -0.34 1.75 -0.44 -0.33 0.00 0.00 177.00 178.09 1b34 h ASP 72 N 3.86 0.54 -0.31 2.53 5.19 -1.95 -2.48 116.42 123.80 1b34 h ASP 72 Ca -0.48 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1b34 h ASP 72 Cb 1.23 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1b34 h ASP 72 CO 0.69 0.08 0.00 -1.54 -3.12 0.00 0.00 179.24 175.36 1b34 n SER 73 N -4.74 3.08 -4.65 6.45 3.41 -1.26 -4.94 113.62 110.97 1b34 n SER 73 Ca 0.26 -1.94 -0.48 0.00 -0.26 0.00 0.00 58.87 56.46 1b34 n SER 73 Cb 0.84 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1b34 n SER 73 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b34 n LEU 74 N 1.26 2.74 -4.56 1.04 4.77 -0.94 -4.90 117.00 116.41 1b34 n LEU 74 Ca 0.18 1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 56.83 1b34 n LEU 74 Cb 0.55 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1b34 n LEU 74 CO 0.15 -0.47 1.75 -2.16 -1.33 0.00 0.00 177.39 175.32 1b34 s PRO 75 N 0.84 3.83 0.24 3.23 0.04 -1.26 -4.86 135.00 137.07 1b34 s PRO 75 Ca 0.80 -1.69 -0.05 0.00 0.04 0.00 0.00 61.00 60.11 1b34 s PRO 75 Cb -0.75 -5.44 0.45 0.00 0.04 0.00 0.00 34.50 28.81 1b34 s PRO 75 CO 0.40 -2.21 1.70 -0.07 0.04 0.00 0.00 177.00 176.86 1b34 h LEU 76 N 12.50 0.07 -0.26 -3.56 3.38 -1.97 -2.52 115.31 122.95 1b34 h LEU 76 Ca 0.34 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1b34 h LEU 76 Cb 0.93 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1b34 h LEU 76 CO 1.43 -0.01 0.17 0.44 0.09 0.00 0.00 178.44 180.57 1b34 h ASP 77 N 0.30 0.30 0.82 -0.43 3.32 -1.91 -1.42 116.42 117.41 1b34 h ASP 77 Ca 0.41 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 1b34 h ASP 77 Cb 0.68 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1b34 h ASP 77 CO -0.48 0.22 -0.51 0.74 -1.72 0.00 0.00 179.24 177.49 1b34 h THR 78 N 0.35 1.13 -0.09 0.35 2.02 -1.78 -2.48 112.91 112.42 1b34 h THR 78 Ca 0.10 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.31 1b34 h THR 78 Cb -0.04 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1b34 h THR 78 CO -0.02 0.50 -0.29 -0.07 0.37 0.00 0.00 175.52 176.01 1b34 h LEU 79 N 0.00 0.16 -4.89 2.58 3.38 -1.05 -2.55 115.31 112.95 1b34 h LEU 79 Ca -0.01 -0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.20 1b34 h LEU 79 Cb 1.05 -0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.45 1b34 h LEU 79 CO 0.07 0.45 0.55 0.18 0.09 0.00 0.00 178.44 179.77 1b34 n LEU 80 N -4.15 6.72 0.00 1.67 4.77 -0.94 -4.89 117.00 120.18 1b34 n LEU 80 Ca -0.01 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.00 1b34 n LEU 80 Cb 0.37 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1b34 n LEU 80 CO 0.39 1.90 0.00 0.52 -1.33 0.00 0.00 177.39 178.88