#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b34 n GLY 27 N 0.00 -1.93 0.09 3.41 0.00 -1.26 -4.51 105.19 100.99 1b34 n GLY 27 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1b34 n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b34 n PRO 28 N 0.00 0.63 -0.26 1.61 -0.04 -1.26 -4.09 135.00 131.59 1b34 n PRO 28 Ca 0.00 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1b34 n PRO 28 Cb 0.00 -1.75 0.36 0.00 -0.04 0.00 0.00 33.50 32.07 1b34 n PRO 28 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1b34 h LEU 29 N 0.00 0.69 -0.11 1.53 3.38 -1.96 -0.78 115.31 118.06 1b34 h LEU 29 Ca -0.14 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 1b34 h LEU 29 Cb 1.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1b34 h LEU 29 CO 0.03 0.38 -0.96 0.77 0.09 0.00 0.00 178.44 178.74 1b34 h SER 30 N 0.75 0.05 -0.38 -0.43 4.64 -1.79 -0.70 113.55 115.69 1b34 h SER 30 Ca 0.42 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.76 1b34 h SER 30 Cb 0.58 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 1b34 h SER 30 CO -0.18 0.98 -0.01 0.58 -0.87 0.00 0.00 176.83 177.33 1b34 h VAL 31 N 0.01 0.71 -0.40 0.95 2.07 -1.50 -2.47 116.25 115.62 1b34 h VAL 31 Ca -0.02 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1b34 h VAL 31 Cb 1.68 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1b34 h VAL 31 CO 0.13 0.02 -0.12 -0.07 0.02 0.00 0.00 177.57 177.55 1b34 h LEU 32 N 0.09 0.80 -0.73 2.57 3.38 -0.96 0.38 115.31 120.84 1b34 h LEU 32 Ca 0.19 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1b34 h LEU 32 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1b34 h LEU 32 CO -0.32 0.99 0.27 0.00 0.09 0.00 0.00 178.44 179.46 1b34 h THR 33 N 0.60 1.25 -0.69 0.22 1.03 -1.12 -0.44 112.91 113.76 1b34 h THR 33 Ca 0.10 -0.83 -0.03 0.00 -0.01 0.00 0.00 66.41 65.64 1b34 h THR 33 Cb 0.65 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.12 1b34 h THR 33 CO 0.04 0.33 0.33 -0.61 -0.01 0.00 0.00 175.52 175.61 1b34 h GLN 34 N 1.06 1.00 -0.78 0.00 4.15 -1.37 -1.45 115.11 117.73 1b34 h GLN 34 Ca 0.24 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1b34 h GLN 34 Cb 0.25 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1b34 h GLN 34 CO -0.01 0.79 0.32 0.77 -1.93 0.00 0.00 178.83 178.77 1b34 h SER 35 N 0.97 1.06 -0.47 -0.69 0.02 -0.39 -0.62 113.55 113.43 1b34 h SER 35 Ca 0.24 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1b34 h SER 35 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1b34 h SER 35 CO -0.03 0.94 0.06 0.58 -1.14 0.00 0.00 176.83 177.23 1b34 h VAL 36 N 1.12 1.24 0.22 2.27 2.07 -0.88 -0.56 116.25 121.73 1b34 h VAL 36 Ca 0.26 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1b34 h VAL 36 Cb 0.20 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1b34 h VAL 36 CO -0.02 0.35 -0.10 0.50 0.02 0.00 0.00 177.57 178.31 1b34 h LYS 37 N 0.81 -0.28 0.00 1.57 3.64 -1.02 -3.21 116.57 118.08 1b34 h LYS 37 Ca 0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1b34 h LYS 37 Cb 0.41 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1b34 h LYS 37 CO 0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1b34 n ASN 38 N -5.10 0.00 -1.98 4.20 3.02 -0.26 -4.91 115.26 110.22 1b34 n ASN 38 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 1b34 n ASN 38 Cb 0.22 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1b34 n ASN 38 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1b34 n ASN 39 N -1.32 -5.22 -4.80 6.41 5.15 -0.25 -4.92 115.26 110.32 1b34 n ASN 39 Ca 0.11 0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 53.95 1b34 n ASN 39 Cb 0.22 -4.50 -0.06 0.00 -0.53 0.00 0.00 39.78 34.91 1b34 n ASN 39 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1b34 s THR 40 N -2.77 4.81 0.58 -0.44 -4.23 -1.01 -4.97 115.64 107.61 1b34 s THR 40 Ca 0.00 1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 61.52 1b34 s THR 40 Cb 0.00 -3.90 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 1b34 s THR 40 CO 0.00 0.51 1.07 1.67 -0.54 0.00 0.00 174.62 177.33 1b34 n GLN 41 N 2.06 1.09 -4.16 3.99 -0.06 -1.26 -4.55 117.38 114.50 1b34 n GLN 41 Ca -0.09 0.42 -0.18 0.00 -2.00 0.00 0.00 57.00 55.15 1b34 n GLN 41 Cb 0.51 -2.27 -0.15 0.00 -4.06 0.00 0.00 30.24 24.27 1b34 n GLN 41 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1b34 s VAL 42 N -1.44 0.46 -0.48 1.69 0.11 0.35 -1.22 120.40 119.87 1b34 s VAL 42 Ca 0.75 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.45 1b34 s VAL 42 Cb -0.42 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1b34 s VAL 42 CO 0.47 0.17 0.55 -0.22 -3.33 0.00 0.00 175.10 172.74 1b34 s LEU 43 N 0.37 5.01 -0.49 2.54 2.96 0.44 -2.37 118.68 127.13 1b34 s LEU 43 Ca -0.04 -0.88 -0.20 0.00 -0.22 0.00 0.00 54.13 52.79 1b34 s LEU 43 Cb -0.08 -2.42 0.04 0.00 0.50 0.00 0.00 46.19 44.24 1b34 s LEU 43 CO -0.00 -0.78 0.66 -0.63 -1.32 0.00 0.00 176.35 174.28 1b34 s ILE 44 N 2.39 4.81 -0.25 6.68 1.01 0.17 0.61 121.20 136.62 1b34 s ILE 44 Ca 0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 1b34 s ILE 44 Cb -0.19 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1b34 s ILE 44 CO 0.12 -0.76 0.50 0.20 0.00 0.00 0.00 174.94 175.00 1b34 s ASN 45 N 2.44 6.43 0.42 3.58 0.01 0.12 -0.43 114.94 127.51 1b34 s ASN 45 Ca 0.19 0.51 0.07 0.00 -0.71 0.00 0.00 52.86 52.93 1b34 s ASN 45 Cb -0.17 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 1b34 s ASN 45 CO 0.15 -0.26 0.29 0.00 -1.51 0.00 0.00 177.10 175.77 1b34 n ARG 47 N -1.41 0.00 -1.07 0.00 3.00 0.21 -2.69 116.66 114.70 1b34 n ARG 47 Ca 0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.66 1b34 n ARG 47 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.10 1b34 n ARG 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1b34 n ASN 48 N -0.09 6.52 0.00 6.15 3.02 -1.26 -4.79 115.26 124.81 1b34 n ASN 48 Ca 0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1b34 n ASN 48 Cb 0.00 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1b34 n ASN 48 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1b34 n ASN 49 N 0.45 -1.96 -4.88 6.41 3.02 -1.09 -5.05 115.26 112.17 1b34 n ASN 49 Ca 0.37 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 1b34 n ASN 49 Cb 0.58 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1b34 n ASN 49 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1b34 s LYS 50 N -1.91 3.80 -0.01 3.52 1.02 -1.22 -4.95 119.74 119.98 1b34 s LYS 50 Ca 0.00 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1b34 s LYS 50 Cb 0.00 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1b34 s LYS 50 CO 0.00 0.32 -0.10 0.15 -0.92 0.00 0.00 175.35 174.80 1b34 s LYS 51 N -2.82 0.89 -0.06 1.68 1.02 0.17 -0.81 119.74 119.81 1b34 s LYS 51 Ca 0.47 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.16 1b34 s LYS 51 Cb -0.11 -0.84 -0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1b34 s LYS 51 CO 0.21 0.19 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.11 1b34 s LEU 52 N -0.09 1.98 -0.23 3.17 1.43 0.43 -0.75 118.68 124.62 1b34 s LEU 52 Ca 0.02 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1b34 s LEU 52 Cb -0.06 -1.17 0.05 0.00 0.03 0.00 0.00 46.19 45.04 1b34 s LEU 52 CO -0.00 0.18 -0.12 -0.22 0.23 0.00 0.00 176.35 176.43 1b34 s LEU 53 N 0.02 2.82 0.00 1.79 2.96 -0.58 0.44 118.68 126.13 1b34 s LEU 53 Ca -0.06 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 1b34 s LEU 53 Cb -0.13 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1b34 s LEU 53 CO 0.04 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 1b34 n GLY 54 N 4.56 1.70 3.72 7.98 0.00 -1.00 0.11 105.19 122.25 1b34 n GLY 54 Ca -0.15 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1b34 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b34 s ARG 55 N 1.25 3.97 -0.45 1.61 1.81 -0.89 -0.50 118.95 125.75 1b34 s ARG 55 Ca 0.00 -0.26 -0.27 0.00 -1.72 0.00 0.00 55.73 53.48 1b34 s ARG 55 Cb 0.00 -3.29 0.03 0.00 -0.45 0.00 0.00 34.95 31.23 1b34 s ARG 55 CO 0.00 0.37 1.03 0.08 -0.68 0.00 0.00 175.30 176.10 1b34 s VAL 56 N 0.12 4.38 0.00 3.52 1.01 -1.26 -1.14 120.40 127.03 1b34 s VAL 56 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1b34 s VAL 56 Cb -0.12 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1b34 s VAL 56 CO -0.00 -0.84 0.52 1.17 0.00 0.00 0.00 175.10 175.95 1b34 n LYS 57 N 7.38 0.00 -4.30 2.72 3.00 -0.39 -4.35 118.16 122.22 1b34 n LYS 57 Ca 0.09 0.48 -0.16 0.00 -0.00 0.00 0.00 58.31 58.72 1b34 n LYS 57 Cb 0.49 -1.25 -0.10 0.00 0.00 0.00 0.00 35.03 34.17 1b34 n LYS 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b34 s ALA 58 N -3.00 1.69 -0.04 3.14 0.00 -1.12 -4.94 121.76 117.50 1b34 s ALA 58 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1b34 s ALA 58 Cb 0.00 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.31 1b34 s ALA 58 CO 0.00 -0.09 0.70 -0.59 0.00 0.00 0.00 175.76 175.78 1b34 s PHE 59 N -3.25 -0.62 0.21 0.00 -0.71 -1.26 0.23 117.98 112.57 1b34 s PHE 59 Ca 0.21 1.01 0.02 0.00 -1.04 0.00 0.00 56.93 57.12 1b34 s PHE 59 Cb 0.03 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.28 1b34 s PHE 59 CO 0.04 -0.61 0.13 -0.40 -1.34 0.00 0.00 175.22 173.04 1b34 n ASP 60 N 0.76 1.85 0.15 1.98 5.68 0.49 -4.98 116.55 122.48 1b34 n ASP 60 Ca -0.18 -1.76 0.04 0.00 -0.50 0.00 0.00 54.79 52.38 1b34 n ASP 60 Cb 0.58 0.01 0.43 0.00 -1.14 0.00 0.00 41.12 41.01 1b34 n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1b34 h ARG 61 N 0.00 0.17 0.00 0.11 2.47 -2.02 -0.87 114.38 114.25 1b34 h ARG 61 Ca -0.14 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1b34 h ARG 61 Cb 0.50 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1b34 h ARG 61 CO 0.22 0.30 0.00 0.72 0.56 0.00 0.00 179.97 181.78 1b34 n HIS 62 N -4.31 0.00 -1.25 3.04 8.25 -1.26 -4.88 115.22 114.82 1b34 n HIS 62 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1b34 n HIS 62 Cb 0.25 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 1b34 n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b34 s ASN 64 N -2.67 6.73 -0.00 0.00 0.01 -1.26 -2.77 114.94 114.98 1b34 s ASN 64 Ca 0.00 2.71 0.01 0.00 -0.71 0.00 0.00 52.86 54.87 1b34 s ASN 64 Cb 0.00 -2.65 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 1b34 s ASN 64 CO 0.00 -0.58 -0.05 -0.04 -1.51 0.00 0.00 177.10 174.92 1b34 s MET 65 N -1.64 0.39 -0.17 -0.60 -1.94 -0.54 -0.38 119.30 114.42 1b34 s MET 65 Ca 0.50 -0.20 -0.15 0.00 -1.71 0.00 0.00 55.69 54.13 1b34 s MET 65 Cb -0.40 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.03 1b34 s MET 65 CO 0.52 0.10 0.34 0.08 -0.01 0.00 0.00 175.02 176.05 1b34 s VAL 66 N -0.19 5.26 0.08 -6.03 1.01 0.14 -0.59 120.40 120.08 1b34 s VAL 66 Ca 0.01 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1b34 s VAL 66 Cb -0.02 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1b34 s VAL 66 CO -0.00 0.34 -0.21 -0.76 0.00 0.00 0.00 175.10 174.47 1b34 s LEU 67 N 0.76 2.24 0.14 3.92 1.43 -0.14 -1.26 118.68 125.77 1b34 s LEU 67 Ca 0.18 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1b34 s LEU 67 Cb -0.14 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1b34 s LEU 67 CO 0.06 0.11 -0.23 -1.61 0.23 0.00 0.00 176.35 174.91 1b34 s GLU 68 N -1.59 1.30 -0.91 1.70 2.02 -0.29 -0.35 118.70 120.59 1b34 s GLU 68 Ca 0.07 -1.33 -0.06 0.00 0.02 0.00 0.00 54.97 53.67 1b34 s GLU 68 Cb -0.09 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1b34 s GLU 68 CO 0.03 0.36 0.75 0.09 0.02 0.00 0.00 175.26 176.51 1b34 n ASN 69 N 0.74 -6.50 -4.57 -0.19 3.02 0.16 -2.09 115.26 105.83 1b34 n ASN 69 Ca -0.17 -0.57 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 1b34 n ASN 69 Cb 0.54 -4.21 -0.11 0.00 -0.61 0.00 0.00 39.78 35.39 1b34 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b34 s VAL 70 N -3.18 4.50 -0.31 2.41 1.01 0.65 -4.26 120.40 121.22 1b34 s VAL 70 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1b34 s VAL 70 Cb -0.05 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1b34 s VAL 70 CO 0.80 0.45 0.14 -0.54 0.00 0.00 0.00 175.10 175.95 1b34 s LYS 71 N 0.58 3.34 -0.17 2.72 3.01 0.12 0.24 119.74 129.57 1b34 s LYS 71 Ca 0.02 -0.71 -0.20 0.00 -1.01 0.00 0.00 55.97 54.06 1b34 s LYS 71 Cb -0.13 -3.54 -0.03 0.00 -1.01 0.00 0.00 37.83 33.12 1b34 s LYS 71 CO 0.02 -0.40 0.59 -2.00 0.51 0.00 0.00 175.35 174.06 1b34 s GLU 72 N 1.61 4.25 -0.34 1.68 2.12 -0.11 -1.53 118.70 126.37 1b34 s GLU 72 Ca 0.05 0.57 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1b34 s GLU 72 Cb -0.17 -3.54 0.08 0.00 0.26 0.00 0.00 34.13 30.76 1b34 s GLU 72 CO 0.06 -0.13 0.08 -1.64 -0.54 0.00 0.00 175.26 173.08 1b34 s MET 73 N 1.56 2.15 0.40 4.30 -1.94 0.07 -3.15 119.30 122.70 1b34 s MET 73 Ca 0.28 -1.54 0.05 0.00 -1.71 0.00 0.00 55.69 52.77 1b34 s MET 73 Cb -0.16 -3.33 -0.07 0.00 2.01 0.00 0.00 34.83 33.29 1b34 s MET 73 CO 0.11 -0.82 0.03 0.16 -0.01 0.00 0.00 175.02 174.48 1b34 s ASP 93 N 1.42 3.49 0.00 3.03 -4.77 -1.26 -0.66 116.67 117.93 1b34 s ASP 93 Ca 0.02 -1.42 0.00 0.00 -3.30 0.00 0.00 52.55 47.85 1b34 s ASP 93 Cb -0.21 -0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.45 1b34 s ASP 93 CO -0.03 -0.56 0.00 -1.14 0.70 0.00 0.00 175.17 174.14 1b34 n ARG 94 N -0.93 0.00 -4.04 2.11 0.63 -1.19 -5.16 116.66 108.08 1b34 n ARG 94 Ca -0.06 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.51 1b34 n ARG 94 Cb 0.67 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.50 1b34 n ARG 94 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1b34 s TYR 95 N -0.40 3.41 -0.06 -0.14 5.04 -1.26 -0.93 117.35 123.00 1b34 s TYR 95 Ca 0.00 0.36 -0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1b34 s TYR 95 Cb 0.00 -1.92 0.02 0.00 0.35 0.00 0.00 41.96 40.41 1b34 s TYR 95 CO 0.00 0.56 -0.03 0.42 -1.34 0.00 0.00 175.55 175.16 1b34 s ILE 96 N -0.73 0.53 -0.05 3.14 1.01 0.14 -4.99 121.20 120.25 1b34 s ILE 96 Ca 0.12 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 1b34 s ILE 96 Cb -0.12 -0.62 -0.22 0.00 0.01 0.00 0.00 42.46 41.51 1b34 s ILE 96 CO 0.03 0.26 1.07 -1.28 0.00 0.00 0.00 174.94 175.02 1b34 h SER 97 N 7.81 0.13 -3.85 3.58 0.87 -1.94 0.19 113.55 120.33 1b34 h SER 97 Ca -0.29 -0.72 -0.26 0.00 -1.23 0.00 0.00 61.79 59.30 1b34 h SER 97 Cb 1.14 -0.04 -0.28 0.00 -0.44 0.00 0.00 62.40 62.78 1b34 h SER 97 CO 0.37 0.82 -0.73 -0.54 -0.53 0.00 0.00 176.83 176.22 1b34 s LYS 98 N -3.36 0.17 -0.06 2.24 1.02 -1.26 0.39 119.74 118.89 1b34 s LYS 98 Ca -0.16 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.62 1b34 s LYS 98 Cb 0.01 -0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1b34 s LYS 98 CO 0.71 0.04 0.26 1.41 -0.92 0.00 0.00 175.35 176.85 1b34 s MET 99 N -0.12 0.45 -0.20 1.68 -2.45 0.53 -4.99 119.30 114.20 1b34 s MET 99 Ca -0.00 0.07 -0.05 0.00 -1.25 0.00 0.00 55.69 54.47 1b34 s MET 99 Cb -0.01 0.20 -0.02 0.00 1.25 0.00 0.00 34.83 36.25 1b34 s MET 99 CO -0.00 -0.09 -0.01 0.12 1.05 0.00 0.00 175.02 176.08 1b34 s PHE 100 N -0.56 3.01 -0.09 4.11 2.19 -1.26 -0.96 117.98 124.42 1b34 s PHE 100 Ca -0.07 -0.57 -0.00 0.00 0.33 0.00 0.00 56.93 56.62 1b34 s PHE 100 Cb -0.04 -2.08 -0.03 0.00 -1.31 0.00 0.00 43.02 39.56 1b34 s PHE 100 CO 0.02 -0.31 -0.06 -1.17 1.83 0.00 0.00 175.22 175.52 1b34 s LEU 101 N 1.09 3.18 0.04 6.12 2.96 0.25 -4.98 118.68 127.34 1b34 s LEU 101 Ca 0.02 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.64 1b34 s LEU 101 Cb -0.14 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1b34 s LEU 101 CO 0.01 0.32 0.74 -0.13 -1.32 0.00 0.00 176.35 175.97 1b34 s ARG 102 N -0.56 4.47 0.33 1.98 0.52 -1.26 -1.47 118.95 122.96 1b34 s ARG 102 Ca 0.08 1.01 0.12 0.00 -0.52 0.00 0.00 55.73 56.43 1b34 s ARG 102 Cb -0.12 -3.35 1.03 0.00 0.52 0.00 0.00 34.95 33.03 1b34 s ARG 102 CO 0.02 0.32 1.62 0.78 0.02 0.00 0.00 175.30 178.06 1b34 h GLY 103 N 5.57 1.85 2.00 -3.53 0.00 -1.65 -2.99 103.07 104.33 1b34 h GLY 103 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1b34 h GLY 103 CO 0.70 -0.56 0.00 1.29 0.00 0.00 0.00 176.54 177.98 1b34 h ASP 104 N 0.17 0.00 -0.86 0.19 2.03 -1.87 0.15 116.42 116.22 1b34 h ASP 104 Ca 0.71 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 57.08 1b34 h ASP 104 Cb 1.64 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 40.08 1b34 h ASP 104 CO -0.71 0.00 0.52 0.28 -1.03 0.00 0.00 179.24 178.30 1b34 h SER 105 N 0.00 0.79 -2.94 4.15 0.02 -1.93 -3.46 113.55 110.18 1b34 h SER 105 Ca 0.00 0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.43 1b34 h SER 105 Cb 0.42 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1b34 h SER 105 CO 0.00 0.48 0.82 -0.69 -1.14 0.00 0.00 176.83 176.30 1b34 s VAL 106 N -6.04 3.96 -0.06 2.27 1.01 0.52 -0.62 120.40 121.43 1b34 s VAL 106 Ca -0.12 1.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1b34 s VAL 106 Cb 0.19 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1b34 s VAL 106 CO 0.79 -0.03 -0.07 0.40 0.00 0.00 0.00 175.10 176.20 1b34 h ILE 107 N 5.07 0.00 -3.94 2.22 2.04 -1.25 -3.47 117.51 118.19 1b34 h ILE 107 Ca -0.35 -0.40 -0.33 0.00 1.00 0.00 0.00 64.86 64.77 1b34 h ILE 107 Cb 1.16 0.00 -0.28 0.00 -0.74 0.00 0.00 36.82 36.97 1b34 h ILE 107 CO 0.91 0.00 -0.76 -0.69 0.00 0.00 0.00 178.15 177.61 1b34 s VAL 108 N -1.48 0.49 -0.18 1.67 1.01 -1.04 -5.02 120.40 115.84 1b34 s VAL 108 Ca -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1b34 s VAL 108 Cb 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1b34 s VAL 108 CO 0.08 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.45 1b34 s VAL 109 N -0.30 2.96 0.06 2.92 1.01 -1.26 0.16 120.40 125.94 1b34 s VAL 109 Ca 0.01 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1b34 s VAL 109 Cb -0.03 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1b34 s VAL 109 CO -0.00 0.48 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1b34 s LEU 110 N 1.10 2.38 0.36 3.92 1.43 0.20 -4.95 118.68 123.13 1b34 s LEU 110 Ca 0.01 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1b34 s LEU 110 Cb -0.14 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 1b34 s LEU 110 CO -0.03 0.24 0.99 -0.13 0.23 0.00 0.00 176.35 177.65 1b34 s ARG 111 N -1.50 4.39 -0.42 1.70 0.52 -1.26 -0.42 118.95 121.95 1b34 s ARG 111 Ca 0.14 1.39 0.09 0.00 -0.52 0.00 0.00 55.73 56.83 1b34 s ARG 111 Cb -0.10 -2.65 0.30 0.00 0.52 0.00 0.00 34.95 33.03 1b34 s ARG 111 CO 0.04 0.08 0.68 -1.71 0.02 0.00 0.00 175.30 174.41 1b34 n ASN 112 N 0.21 1.20 -4.80 0.23 4.05 -0.35 -4.82 115.26 110.97 1b34 n ASN 112 Ca 0.04 -3.00 -0.30 0.00 0.45 0.00 0.00 54.58 51.77 1b34 n ASN 112 Cb 0.50 -0.63 0.09 0.00 1.23 0.00 0.00 39.78 40.98 1b34 n ASN 112 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1b34 s PRO 113 N -2.07 2.10 -0.22 1.20 0.04 -1.26 -4.38 135.00 130.40 1b34 s PRO 113 Ca 0.39 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 1b34 s PRO 113 Cb 0.26 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1b34 s PRO 113 CO -0.09 -1.63 0.35 -0.51 0.04 0.00 0.00 177.00 175.16 1b34 s LEU 114 N -5.80 4.13 -0.05 -3.56 1.43 -1.26 -5.05 118.68 108.51 1b34 s LEU 114 Ca 0.61 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 1b34 s LEU 114 Cb -0.15 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 1b34 s LEU 114 CO 0.55 -0.07 -0.24 -0.63 0.23 0.00 0.00 176.35 176.19 1b34 s ILE 115 N 1.38 1.98 0.14 -0.59 1.01 -1.26 -5.12 121.20 118.74 1b34 s ILE 115 Ca 0.16 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1b34 s ILE 115 Cb -0.15 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1b34 s ILE 115 CO 0.08 0.55 0.83 0.00 0.00 0.00 0.00 174.94 176.40 1b34 s ALA 116 N -0.17 3.38 0.00 9.38 0.00 -1.26 -4.96 121.76 128.13 1b34 s ALA 116 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1b34 s ALA 116 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1b34 s ALA 116 CO 0.03 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1b34 n GLY 117 N 1.88 -0.94 0.00 0.00 0.00 -1.26 -5.34 105.19 99.54 1b34 n GLY 117 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1b34 n GLY 117 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90