#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5b n ASP 2 N 0.00 0.00 -0.02 1.61 8.00 -1.26 -4.93 116.55 119.95 1h5b n ASP 2 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1h5b n ASP 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1h5b n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5b n GLN 3 N 0.00 2.35 -3.77 -1.24 6.02 -1.26 -4.67 117.38 114.81 1h5b n GLN 3 Ca 0.00 -0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.73 1h5b n GLN 3 Cb 0.00 -1.15 -0.17 0.00 1.02 0.00 0.00 30.24 29.94 1h5b n GLN 3 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h5b s VAL 4 N -2.21 0.43 -0.07 5.09 1.01 -1.26 -1.48 120.40 121.91 1h5b s VAL 4 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1h5b s VAL 4 Cb 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1h5b s VAL 4 CO 0.24 0.19 -0.11 -0.70 0.00 0.00 0.00 175.10 174.72 1h5b s GLU 5 N 1.94 1.60 0.27 2.72 2.12 -0.47 -4.44 118.70 122.44 1h5b s GLU 5 Ca 0.04 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 54.96 1h5b s GLU 5 Cb -0.13 -1.40 -0.06 0.00 0.26 0.00 0.00 34.13 32.80 1h5b s GLU 5 CO -0.06 -0.04 0.54 -0.65 -0.54 0.00 0.00 175.26 174.51 1h5b s GLN 6 N 0.91 3.66 -0.15 4.30 -0.21 -1.26 -1.42 119.66 125.49 1h5b s GLN 6 Ca -0.10 0.05 -0.14 0.00 0.02 0.00 0.00 55.36 55.19 1h5b s GLN 6 Cb -0.15 -2.66 0.04 0.00 1.00 0.00 0.00 33.01 31.24 1h5b s GLN 6 CO 0.01 0.25 0.41 -1.54 -2.12 0.00 0.00 175.29 172.30 1h5b s SER 7 N -2.95 -0.43 0.93 5.90 1.04 -0.59 -4.59 113.70 113.01 1h5b s SER 7 Ca 0.44 0.82 -0.15 0.00 0.48 0.00 0.00 55.95 57.55 1h5b s SER 7 Cb -0.11 0.83 0.18 0.00 0.10 0.00 0.00 66.02 67.02 1h5b s SER 7 CO 0.28 -0.14 1.29 -2.16 0.98 0.00 0.00 173.24 173.48 1h5b s PRO 8 N 0.27 0.92 0.12 4.02 0.04 -1.26 -0.05 135.00 139.05 1h5b s PRO 8 Ca -0.00 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 60.79 1h5b s PRO 8 Cb -0.03 -1.87 -0.20 0.00 0.04 0.00 0.00 34.50 32.43 1h5b s PRO 8 CO 0.00 -2.24 1.28 0.77 0.04 0.00 0.00 177.00 176.85 1h5b h SER 9 N -1.51 0.00 -4.96 6.66 0.02 -1.84 -3.41 113.55 108.50 1h5b h SER 9 Ca -0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1h5b h SER 9 Cb 1.25 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.64 1h5b h SER 9 CO 0.43 0.98 0.22 0.00 -1.14 0.00 0.00 176.83 177.33 1h5b s ALA 10 N -2.72 -1.69 -0.12 3.77 0.00 -1.26 -1.53 121.76 118.22 1h5b s ALA 10 Ca 0.01 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1h5b s ALA 10 Cb 0.10 0.47 0.09 0.00 0.00 0.00 0.00 23.12 23.78 1h5b s ALA 10 CO 0.82 -0.59 0.80 -0.48 0.00 0.00 0.00 175.76 176.31 1h5b s LEU 11 N -2.07 -0.56 -0.07 0.00 2.34 -0.52 -4.92 118.68 112.88 1h5b s LEU 11 Ca -0.04 0.68 0.04 0.00 0.06 0.00 0.00 54.13 54.88 1h5b s LEU 11 Cb -0.01 2.28 -0.00 0.00 -0.56 0.00 0.00 46.19 47.91 1h5b s LEU 11 CO -0.03 -0.47 -0.19 -0.44 -1.06 0.00 0.00 176.35 174.15 1h5b s SER 12 N -0.96 2.47 0.04 1.48 0.01 -1.26 -1.02 113.70 114.46 1h5b s SER 12 Ca -0.06 -0.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 1h5b s SER 12 Cb -0.01 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 1h5b s SER 12 CO 0.06 0.14 -0.03 -1.48 0.41 0.00 0.00 173.24 172.34 1h5b s LEU 13 N 0.22 2.39 0.32 2.44 2.34 -0.34 -4.98 118.68 121.06 1h5b s LEU 13 Ca -0.10 -0.79 -0.27 0.00 0.06 0.00 0.00 54.13 53.03 1h5b s LEU 13 Cb -0.14 0.15 -0.09 0.00 -0.56 0.00 0.00 46.19 45.54 1h5b s LEU 13 CO 0.05 -0.47 0.99 -1.00 -1.06 0.00 0.00 176.35 174.86 1h5b s HIS 14 N -2.88 3.62 0.26 3.48 3.76 -1.26 -0.45 115.29 121.82 1h5b s HIS 14 Ca -0.02 1.76 -0.29 0.00 -0.15 0.00 0.00 55.06 56.36 1h5b s HIS 14 Cb 0.00 -3.03 -0.14 0.00 1.11 0.00 0.00 32.58 30.52 1h5b s HIS 14 CO -0.06 -0.06 0.99 -1.91 -0.85 0.00 0.00 174.74 172.85 1h5b n GLU 15 N 0.62 1.22 0.00 1.40 2.13 0.16 -1.66 120.64 124.52 1h5b n GLU 15 Ca 0.02 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1h5b n GLU 15 Cb 0.49 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1h5b n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h5b n GLY 16 N 1.41 2.31 3.96 8.31 0.00 0.15 -4.87 105.19 116.46 1h5b n GLY 16 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1h5b n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h5b s THR 17 N -2.27 2.33 0.15 2.61 -4.23 -0.66 -3.85 115.64 109.71 1h5b s THR 17 Ca 0.00 -0.47 0.11 0.00 -1.18 0.00 0.00 61.69 60.15 1h5b s THR 17 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1h5b s THR 17 CO 0.00 0.00 -0.24 -1.81 -0.54 0.00 0.00 174.62 172.03 1h5b s ASP 18 N -4.59 3.51 0.31 3.99 -0.00 -1.26 -1.24 116.67 117.39 1h5b s ASP 18 Ca 0.62 -0.73 -0.19 0.00 -0.00 0.00 0.00 52.55 52.25 1h5b s ASP 18 Cb -0.08 -0.32 0.03 0.00 -0.00 0.00 0.00 42.92 42.54 1h5b s ASP 18 CO 0.43 0.16 0.72 -0.55 -0.00 0.00 0.00 175.17 175.94 1h5b s SER 19 N -2.28 -0.16 -0.00 0.27 0.15 -0.67 -5.02 113.70 106.00 1h5b s SER 19 Ca 0.17 -0.79 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 1h5b s SER 19 Cb -0.09 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1h5b s SER 19 CO 0.08 -1.43 0.03 0.00 1.20 0.00 0.00 173.24 173.13 1h5b s ALA 20 N -3.48 -0.07 0.07 5.45 0.00 -1.26 -1.25 121.76 121.22 1h5b s ALA 20 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1h5b s ALA 20 Cb -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1h5b s ALA 20 CO 0.09 -0.09 0.04 -0.51 0.00 0.00 0.00 175.76 175.28 1h5b s LEU 21 N -0.64 3.65 0.02 0.00 1.02 0.02 -4.74 118.68 118.01 1h5b s LEU 21 Ca -0.07 -0.06 0.08 0.00 0.02 0.00 0.00 54.13 54.10 1h5b s LEU 21 Cb -0.04 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.84 1h5b s LEU 21 CO -0.00 0.20 -0.24 -0.13 0.02 0.00 0.00 176.35 176.20 1h5b s ARG 22 N -2.20 1.74 -0.30 1.70 0.52 0.92 -1.45 118.95 119.88 1h5b s ARG 22 Ca 0.26 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1h5b s ARG 22 Cb -0.12 -1.80 0.08 0.00 0.52 0.00 0.00 34.95 33.64 1h5b s ARG 22 CO 0.19 0.48 -0.02 0.00 0.02 0.00 0.00 175.30 175.96 1h5b s ASN 24 N 1.06 6.38 -0.06 0.00 2.47 -0.51 -1.42 114.94 122.86 1h5b s ASN 24 Ca 0.01 0.44 0.02 0.00 0.42 0.00 0.00 52.86 53.76 1h5b s ASN 24 Cb -0.19 -2.13 -0.03 0.00 -1.45 0.00 0.00 41.25 37.45 1h5b s ASN 24 CO -0.07 0.23 -0.11 -0.36 -3.72 0.00 0.00 177.10 173.06 1h5b s PHE 25 N -0.11 2.80 -2.00 0.43 2.99 -0.69 -1.36 117.98 120.03 1h5b s PHE 25 Ca 0.14 -0.13 0.02 0.00 0.00 0.00 0.00 56.93 56.96 1h5b s PHE 25 Cb -0.12 -1.68 0.07 0.00 0.00 0.00 0.00 43.02 41.29 1h5b s PHE 25 CO 0.03 0.21 1.06 0.25 -0.00 0.00 0.00 175.22 176.76 1h5b n THR 26 N 2.38 0.09 -3.65 0.64 -2.24 -0.55 -4.83 114.28 106.12 1h5b n THR 26 Ca -0.17 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 1h5b n THR 26 Cb 0.52 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1h5b n THR 26 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1h5b s THR 27 N -1.91 0.00 0.38 4.28 -1.32 -1.26 -5.09 115.64 110.73 1h5b s THR 27 Ca 0.05 -0.33 -0.28 0.00 -1.21 0.00 0.00 61.69 59.92 1h5b s THR 27 Cb 0.03 -1.75 -0.11 0.00 -1.51 0.00 0.00 72.50 69.16 1h5b s THR 27 CO 0.03 0.00 1.49 -0.89 -2.21 0.00 0.00 174.62 173.04 1h5b s THR 28 N -2.82 2.03 0.06 5.08 2.01 -1.25 -4.75 115.64 115.99 1h5b s THR 28 Ca 0.12 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1h5b s THR 28 Cb 0.01 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1h5b s THR 28 CO -0.02 0.01 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.68 1h5b s MET 29 N -2.13 1.26 0.03 4.92 1.00 -1.17 -4.88 119.30 118.33 1h5b s MET 29 Ca 0.53 -0.97 -0.18 0.00 0.00 0.00 0.00 55.69 55.07 1h5b s MET 29 Cb -0.46 -1.40 -0.21 0.00 0.00 0.00 0.00 34.83 32.76 1h5b s MET 29 CO 0.63 0.35 1.17 -0.09 0.00 0.00 0.00 175.02 177.08 1h5b h ARG 30 N 4.67 0.49 -3.94 2.03 9.65 -1.18 -3.45 114.38 122.66 1h5b h ARG 30 Ca -0.43 -0.46 -0.11 0.00 -1.10 0.00 0.00 59.98 57.88 1h5b h ARG 30 Cb 1.17 0.11 -0.12 0.00 -1.39 0.00 0.00 29.97 29.74 1h5b h ARG 30 CO 0.43 1.10 -0.30 -1.54 2.80 0.00 0.00 179.97 182.45 1h5b s SER 31 N -6.75 0.01 0.02 -3.80 1.04 -1.22 -4.60 113.70 98.39 1h5b s SER 31 Ca -0.13 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1h5b s SER 31 Cb 0.05 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1h5b s SER 31 CO 0.83 -0.98 -0.03 0.54 0.98 0.00 0.00 173.24 174.58 1h5b s VAL 32 N -4.03 0.18 -0.02 5.02 0.11 0.97 -2.02 120.40 120.62 1h5b s VAL 32 Ca 0.24 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1h5b s VAL 32 Cb 0.03 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1h5b s VAL 32 CO 0.06 -0.32 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.31 1h5b s GLN 33 N -1.05 0.93 -0.03 1.54 -0.21 0.74 0.14 119.66 121.71 1h5b s GLN 33 Ca -0.10 -0.34 0.04 0.00 0.02 0.00 0.00 55.36 54.98 1h5b s GLN 33 Cb -0.07 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 33.03 1h5b s GLN 33 CO -0.00 0.16 -0.13 -1.58 -2.12 0.00 0.00 175.29 171.62 1h5b s TRP 34 N 0.01 2.75 0.08 0.91 0.52 -0.42 -0.83 118.94 121.96 1h5b s TRP 34 Ca -0.00 -0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1h5b s TRP 34 Cb -0.07 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1h5b s TRP 34 CO 0.00 0.24 -0.07 -0.06 0.02 0.00 0.00 176.95 177.09 1h5b s PHE 35 N -0.80 0.82 -0.09 -1.98 0.40 0.11 -0.24 117.98 116.20 1h5b s PHE 35 Ca 0.13 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 1h5b s PHE 35 Cb -0.11 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 42.95 1h5b s PHE 35 CO 0.02 -0.14 -0.15 0.50 0.70 0.00 0.00 175.22 176.15 1h5b s ARG 36 N -3.29 2.12 0.14 0.44 3.52 -0.41 -0.78 118.95 120.69 1h5b s ARG 36 Ca 0.06 -0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1h5b s ARG 36 Cb 0.02 -1.77 -0.07 0.00 -1.56 0.00 0.00 34.95 31.57 1h5b s ARG 36 CO -0.04 -0.01 1.08 -1.14 -0.81 0.00 0.00 175.30 174.38 1h5b s GLN 37 N 0.84 4.59 0.77 5.12 0.74 0.22 -1.23 119.66 130.70 1h5b s GLN 37 Ca -0.10 1.66 -0.03 0.00 0.05 0.00 0.00 55.36 56.94 1h5b s GLN 37 Cb -0.15 -3.32 0.15 0.00 1.10 0.00 0.00 33.01 30.79 1h5b s GLN 37 CO 0.01 0.05 1.06 0.54 -0.55 0.00 0.00 175.29 176.40 1h5b s ASN 38 N 0.13 4.06 0.60 6.67 2.20 0.05 -4.47 114.94 124.18 1h5b s ASN 38 Ca 0.50 -0.36 0.33 0.00 -0.94 0.00 0.00 52.86 52.39 1h5b s ASN 38 Cb -0.28 0.10 1.90 0.00 -2.00 0.00 0.00 41.25 40.97 1h5b s ASN 38 CO 0.33 -2.07 2.25 0.77 -2.94 0.00 0.00 177.10 175.44 1h5b h SER 39 N -0.73 0.00 0.50 3.54 4.64 -1.97 -0.74 113.55 118.79 1h5b h SER 39 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1h5b h SER 39 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1h5b h SER 39 CO 0.38 0.02 -0.12 0.54 -0.87 0.00 0.00 176.83 176.78 1h5b n ARG 40 N -3.62 0.48 -0.16 4.77 1.74 -1.26 -4.92 116.66 113.69 1h5b n ARG 40 Ca -0.03 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1h5b n ARG 40 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1h5b n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h5b n GLY 41 N 1.33 0.65 3.78 -0.13 0.00 -0.28 -5.06 105.19 105.47 1h5b n GLY 41 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1h5b n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h5b s SER 42 N -2.82 6.87 -0.54 1.61 0.01 -1.26 -4.73 113.70 112.84 1h5b s SER 42 Ca 0.00 2.07 -0.20 0.00 1.31 0.00 0.00 55.95 59.13 1h5b s SER 42 Cb 0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.71 1h5b s SER 42 CO 0.00 -0.42 0.68 -0.76 0.41 0.00 0.00 173.24 173.16 1h5b s LEU 43 N -2.42 4.97 -0.18 2.44 1.43 -1.26 -0.77 118.68 122.90 1h5b s LEU 43 Ca 0.55 -0.99 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 1h5b s LEU 43 Cb -0.23 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1h5b s LEU 43 CO 0.30 -0.99 0.71 -0.63 0.23 0.00 0.00 176.35 175.96 1h5b s ILE 44 N 2.80 4.97 0.15 -0.59 -1.09 -0.36 -4.85 121.20 122.23 1h5b s ILE 44 Ca 0.16 1.37 -0.31 0.00 -2.23 0.00 0.00 60.65 59.63 1h5b s ILE 44 Cb -0.20 -4.02 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 1h5b s ILE 44 CO 0.11 0.09 1.50 -0.55 -1.23 0.00 0.00 174.94 174.86 1h5b s SER 45 N 1.15 6.67 -0.20 3.58 0.15 -1.26 -1.29 113.70 122.50 1h5b s SER 45 Ca 0.33 2.51 -0.00 0.00 0.70 0.00 0.00 55.95 59.48 1h5b s SER 45 Cb -0.16 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.44 1h5b s SER 45 CO 0.12 -0.76 -0.19 0.18 1.20 0.00 0.00 173.24 173.79 1h5b n LEU 46 N 3.94 2.76 -3.74 3.45 4.77 0.67 -4.94 117.00 123.91 1h5b n LEU 46 Ca 0.13 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1h5b n LEU 46 Cb 0.40 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1h5b n LEU 46 CO 0.60 0.77 0.05 -0.36 -1.33 0.00 0.00 177.39 177.12 1h5b s PHE 47 N -2.39 -0.25 -0.13 -1.77 0.40 -1.17 -4.99 117.98 107.68 1h5b s PHE 47 Ca -0.27 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1h5b s PHE 47 Cb 0.07 0.12 0.02 0.00 0.51 0.00 0.00 43.02 43.74 1h5b s PHE 47 CO 0.44 -0.36 -0.16 -0.47 0.70 0.00 0.00 175.22 175.36 1h5b s TYR 48 N -1.01 2.20 -0.06 0.36 5.04 -1.26 -1.30 117.35 121.32 1h5b s TYR 48 Ca -0.11 -1.14 0.01 0.00 -2.44 0.00 0.00 57.07 53.40 1h5b s TYR 48 Cb -0.04 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.71 1h5b s TYR 48 CO 0.04 -0.59 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.09 1h5b s LEU 49 N 1.15 1.30 -0.03 6.97 1.43 0.12 -4.97 118.68 124.65 1h5b s LEU 49 Ca -0.02 -0.18 0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1h5b s LEU 49 Cb -0.14 -0.57 -0.31 0.00 0.03 0.00 0.00 46.19 45.20 1h5b s LEU 49 CO -0.05 -0.06 0.42 0.00 0.23 0.00 0.00 176.35 176.89 1h5b n ALA 50 N 4.21 2.69 0.00 4.21 0.00 -1.26 -0.02 120.51 130.35 1h5b n ALA 50 Ca -0.21 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1h5b n ALA 50 Cb 0.51 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1h5b n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h5b n SER 51 N -2.22 0.00 0.00 0.00 3.41 -1.26 -4.74 113.62 108.81 1h5b n SER 51 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1h5b n SER 51 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1h5b n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h5b n GLY 52 N -0.15 0.92 3.05 5.00 0.00 -1.26 -4.76 105.19 107.99 1h5b n GLY 52 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1h5b n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 53 N 0.00 0.13 0.00 2.61 2.01 -1.26 -0.76 115.64 118.36 1h5b s THR 53 Ca 0.00 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1h5b s THR 53 Cb 0.00 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 1h5b s THR 53 CO 0.00 -0.58 -0.02 -0.54 -0.69 0.00 0.00 174.62 172.79 1h5b s LYS 54 N -2.11 0.18 -0.01 4.92 1.02 -0.17 -5.00 119.74 118.57 1h5b s LYS 54 Ca -0.10 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1h5b s LYS 54 Cb -0.05 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1h5b s LYS 54 CO -0.03 0.03 -0.11 -2.00 -0.92 0.00 0.00 175.35 172.33 1h5b s GLU 55 N -0.21 0.88 -0.28 1.68 2.12 -1.26 -0.42 118.70 121.21 1h5b s GLU 55 Ca -0.01 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1h5b s GLU 55 Cb -0.02 -0.85 0.15 0.00 0.26 0.00 0.00 34.13 33.67 1h5b s GLU 55 CO -0.00 0.22 0.36 1.21 -0.54 0.00 0.00 175.26 176.51 1h5b s ASN 56 N -0.22 0.81 1.39 -1.70 3.04 0.09 -5.01 114.94 113.34 1h5b s ASN 56 Ca 0.04 -0.39 0.00 0.00 0.04 0.00 0.00 52.86 52.55 1h5b s ASN 56 Cb -0.04 0.89 0.00 0.00 -1.54 0.00 0.00 41.25 40.56 1h5b s ASN 56 CO -0.00 -0.35 0.00 0.61 -3.04 0.00 0.00 177.10 174.31 1h5b n GLY 57 N 5.34 2.03 0.27 1.21 0.00 -1.26 -2.22 105.19 110.56 1h5b n GLY 57 Ca -0.01 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1h5b n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5b n ARG 58 N 13.07 1.37 -4.14 1.61 1.74 -1.26 -4.84 116.66 124.21 1h5b n ARG 58 Ca 0.00 -0.54 -0.36 0.00 -0.77 0.00 0.00 57.85 56.19 1h5b n ARG 58 Cb 0.00 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 1h5b n ARG 58 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h5b s LEU 59 N -1.95 3.95 -0.07 0.55 1.43 -0.94 -1.82 118.68 119.84 1h5b s LEU 59 Ca 0.41 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1h5b s LEU 59 Cb 0.21 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1h5b s LEU 59 CO 0.34 0.39 0.14 -0.75 0.23 0.00 0.00 176.35 176.70 1h5b s LYS 60 N -0.92 0.05 0.14 1.70 2.20 -0.37 -0.73 119.74 121.81 1h5b s LYS 60 Ca 0.14 0.44 0.09 0.00 -0.36 0.00 0.00 55.97 56.27 1h5b s LYS 60 Cb -0.12 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 1h5b s LYS 60 CO 0.03 -0.23 -0.13 0.45 -0.36 0.00 0.00 175.35 175.11 1h5b s SER 61 N 1.67 4.12 -0.03 1.43 0.15 0.44 0.96 113.70 122.44 1h5b s SER 61 Ca -0.04 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 1h5b s SER 61 Cb -0.12 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1h5b s SER 61 CO -0.06 0.15 0.07 0.00 1.20 0.00 0.00 173.24 174.61 1h5b s ALA 62 N -1.40 -0.13 -0.14 5.45 0.00 -0.29 -1.00 121.76 124.26 1h5b s ALA 62 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1h5b s ALA 62 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1h5b s ALA 62 CO 0.13 -0.08 0.14 0.34 0.00 0.00 0.00 175.76 176.29 1h5b n PHE 63 N 3.56 0.00 -1.75 0.00 -0.00 0.06 -1.45 117.46 117.89 1h5b n PHE 63 Ca -0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.84 1h5b n PHE 63 Cb 0.56 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.48 40.01 1h5b n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1h5b n ASP 64 N -1.18 3.77 0.00 -2.13 5.68 -0.96 -4.46 116.55 117.27 1h5b n ASP 64 Ca 0.00 1.17 0.00 0.00 -0.50 0.00 0.00 54.79 55.46 1h5b n ASP 64 Cb 0.06 -1.59 0.00 0.00 -1.14 0.00 0.00 41.12 38.45 1h5b n ASP 64 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1h5b n SER 65 N 1.74 0.00 -1.19 -1.12 3.41 -1.26 -4.96 113.62 110.23 1h5b n SER 65 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1h5b n SER 65 Cb 0.37 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1h5b n SER 65 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5b n GLU 66 N 0.00 1.10 -2.55 4.33 -0.58 -1.26 -4.70 120.64 116.98 1h5b n GLU 66 Ca 0.00 -0.22 -0.03 0.00 -0.42 0.00 0.00 57.16 56.49 1h5b n GLU 66 Cb 0.00 -1.09 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1h5b n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1h5b n ARG 67 N 0.59 -1.16 -1.17 3.49 1.74 -1.26 -4.44 116.66 114.46 1h5b n ARG 67 Ca 0.04 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1h5b n ARG 67 Cb 0.57 -3.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1h5b n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h5b n ALA 68 N -2.51 -0.05 -0.06 7.54 0.00 -1.26 -4.76 120.51 119.42 1h5b n ALA 68 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1h5b n ALA 68 Cb 0.51 -0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 1h5b n ALA 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1h5b n ARG 69 N -0.65 1.39 -3.55 0.00 0.63 -1.26 -3.06 116.66 110.16 1h5b n ARG 69 Ca 0.00 -0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.81 1h5b n ARG 69 Cb 0.30 -1.37 -0.02 0.00 0.45 0.00 0.00 32.46 31.82 1h5b n ARG 69 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1h5b s TYR 70 N -2.51 -0.36 0.10 -0.14 1.13 -1.26 -1.71 117.35 112.61 1h5b s TYR 70 Ca -0.07 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 55.78 1h5b s TYR 70 Cb 0.05 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 1h5b s TYR 70 CO 0.60 -0.77 -0.11 0.45 -2.51 0.00 0.00 175.55 173.21 1h5b s SER 71 N -2.69 1.60 0.06 -0.18 0.15 -0.51 -4.72 113.70 107.41 1h5b s SER 71 Ca 0.05 -0.81 0.05 0.00 0.70 0.00 0.00 55.95 55.94 1h5b s SER 71 Cb -0.02 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1h5b s SER 71 CO -0.07 -0.23 -0.13 0.42 1.20 0.00 0.00 173.24 174.43 1h5b s THR 72 N -2.37 1.00 -0.20 6.45 -4.23 -0.53 -1.11 115.64 114.66 1h5b s THR 72 Ca 0.06 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1h5b s THR 72 Cb -0.03 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.87 1h5b s THR 72 CO 0.01 -0.23 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.52 1h5b s LEU 73 N -1.64 2.32 -0.19 4.79 2.96 -0.53 -1.13 118.68 125.25 1h5b s LEU 73 Ca -0.03 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 1h5b s LEU 73 Cb -0.10 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1h5b s LEU 73 CO 0.02 -0.13 0.19 -1.00 -1.32 0.00 0.00 176.35 174.11 1h5b s HIS 74 N 1.37 3.42 -0.23 5.38 3.76 0.27 -0.80 115.29 128.46 1h5b s HIS 74 Ca -0.01 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1h5b s HIS 74 Cb -0.16 -2.23 0.04 0.00 1.11 0.00 0.00 32.58 31.34 1h5b s HIS 74 CO -0.09 0.26 -0.12 0.42 -0.85 0.00 0.00 174.74 174.36 1h5b s ILE 75 N 0.42 2.36 0.11 0.60 1.01 -0.38 -1.24 121.20 124.08 1h5b s ILE 75 Ca 0.11 -1.21 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1h5b s ILE 75 Cb -0.12 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1h5b s ILE 75 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 174.94 175.18 1h5b s ARG 76 N 1.24 2.53 -1.38 2.79 1.70 -0.75 -1.67 118.95 123.40 1h5b s ARG 76 Ca -0.01 -0.89 -0.01 0.00 -0.47 0.00 0.00 55.73 54.34 1h5b s ARG 76 Cb -0.17 -2.51 0.01 0.00 -0.57 0.00 0.00 34.95 31.72 1h5b s ARG 76 CO -0.07 0.52 0.58 -3.47 -1.08 0.00 0.00 175.30 171.77 1h5b n ASP 77 N 0.39 -0.97 -4.51 -2.89 2.03 -1.07 -4.80 116.55 104.73 1h5b n ASP 77 Ca -0.10 -0.91 -0.52 0.00 0.52 0.00 0.00 54.79 53.77 1h5b n ASP 77 Cb 0.53 -3.52 -0.05 0.00 -0.72 0.00 0.00 41.12 37.36 1h5b n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5b n ALA 78 N -4.36 -2.24 -2.51 -1.67 0.00 -0.38 -4.31 120.51 105.04 1h5b n ALA 78 Ca -0.28 0.50 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1h5b n ALA 78 Cb 0.67 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 1h5b n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1h5b s GLN 79 N -0.41 1.84 0.44 0.00 -1.52 -1.26 0.33 119.66 119.08 1h5b s GLN 79 Ca 0.77 -1.30 0.18 0.00 -1.95 0.00 0.00 55.36 53.06 1h5b s GLN 79 Cb -1.01 -2.07 1.12 0.00 -0.22 0.00 0.00 33.01 30.83 1h5b s GLN 79 CO 0.55 0.44 1.89 -0.07 -0.25 0.00 0.00 175.29 177.85 1h5b h LEU 80 N 3.25 0.34 -0.95 2.90 3.38 -1.93 0.27 115.31 122.58 1h5b h LEU 80 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1h5b h LEU 80 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h5b h LEU 80 CO 0.50 0.16 0.00 -1.84 0.09 0.00 0.00 178.44 177.35 1h5b n GLU 81 N -4.47 0.18 0.25 1.13 0.28 -1.26 -2.17 120.64 114.57 1h5b n GLU 81 Ca 0.16 0.50 0.15 0.00 -0.16 0.00 0.00 57.16 57.81 1h5b n GLU 81 Cb 0.64 -1.90 0.45 0.00 1.43 0.00 0.00 31.44 32.06 1h5b n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1h5b h ASP 82 N 0.00 0.00 -2.87 -1.84 3.32 -0.86 -3.46 116.42 110.72 1h5b h ASP 82 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1h5b h ASP 82 Cb 0.24 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.91 1h5b h ASP 82 CO 0.00 0.00 0.23 -1.20 -1.72 0.00 0.00 179.24 176.55 1h5b n SER 83 N -3.06 1.65 0.00 6.45 7.64 -0.92 -4.89 113.62 120.48 1h5b n SER 83 Ca 0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1h5b n SER 83 Cb 0.40 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1h5b n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h5b n GLY 84 N 1.09 -1.78 3.68 0.23 0.00 -0.20 -5.01 105.19 103.21 1h5b n GLY 84 Ca 0.08 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1h5b n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 85 N -1.87 5.32 -0.07 2.61 2.01 -1.26 -0.66 115.64 121.73 1h5b s THR 85 Ca 0.00 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 1h5b s THR 85 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1h5b s THR 85 CO 0.00 0.34 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.94 1h5b s TYR 86 N 0.97 3.07 0.14 4.92 1.51 0.69 -0.61 117.35 128.04 1h5b s TYR 86 Ca 0.11 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.35 1h5b s TYR 86 Cb -0.13 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1h5b s TYR 86 CO 0.04 0.42 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.72 1h5b s PHE 87 N -0.89 1.42 0.05 2.71 0.40 0.04 -0.71 117.98 121.01 1h5b s PHE 87 Ca 0.14 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1h5b s PHE 87 Cb -0.11 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 1h5b s PHE 87 CO 0.03 0.17 -0.12 0.00 0.70 0.00 0.00 175.22 176.00 1h5b s ALA 89 N -1.12 -0.22 0.08 0.00 0.00 -0.01 -0.41 121.76 120.08 1h5b s ALA 89 Ca -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1h5b s ALA 89 Cb -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1h5b s ALA 89 CO 0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 175.76 175.49 1h5b s ALA 90 N -0.92 1.17 -0.23 0.00 0.00 -0.36 -0.19 121.76 121.24 1h5b s ALA 90 Ca -0.10 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1h5b s ALA 90 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1h5b s ALA 90 CO 0.01 0.13 0.03 -1.21 0.00 0.00 0.00 175.76 174.72 1h5b s GLU 91 N -1.95 3.62 0.01 0.00 2.02 -0.86 -1.77 118.70 119.77 1h5b s GLU 91 Ca -0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1h5b s GLU 91 Cb -0.09 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1h5b s GLU 91 CO 0.02 -0.10 0.00 0.00 0.02 0.00 0.00 175.26 175.20 1h5b n ALA 92 N 4.63 3.00 -1.00 5.21 0.00 -1.26 -0.61 120.51 130.48 1h5b n ALA 92 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1h5b n ALA 92 Cb 0.51 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1h5b n ALA 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h5b n SER 93 N -3.00 0.00 -3.54 0.00 3.41 -1.26 -4.82 113.62 104.41 1h5b n SER 93 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1h5b n SER 93 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1h5b n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1h5b n SER 94 N 0.00 0.00 -4.91 4.04 3.41 -1.26 -5.00 113.62 109.89 1h5b n SER 94 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1h5b n SER 94 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1h5b n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1h5b s GLY 95 N -0.59 1.98 0.00 5.00 0.00 -1.26 -4.91 107.32 107.54 1h5b s GLY 95 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1h5b s GLY 95 CO 0.00 -0.65 0.00 -1.14 0.00 0.00 0.00 173.10 171.31 1h5b n SER 96 N -0.37 0.00 -3.99 1.64 3.41 -1.26 -4.50 113.62 108.55 1h5b n SER 96 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.20 1h5b n SER 96 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1h5b n SER 96 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1h5b n TRP 97 N 0.00 -2.34 -1.77 7.33 -0.00 -1.26 -4.37 117.44 115.03 1h5b n TRP 97 Ca 0.00 0.50 -0.01 0.00 -0.00 0.00 0.00 57.50 57.99 1h5b n TRP 97 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.69 1h5b n TRP 97 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1h5b n GLN 98 N 1.33 -0.57 -4.11 5.87 7.27 -1.26 -4.71 117.38 121.20 1h5b n GLN 98 Ca 0.09 0.88 -0.22 0.00 0.07 0.00 0.00 57.00 57.82 1h5b n GLN 98 Cb 0.41 -2.23 -0.05 0.00 2.41 0.00 0.00 30.24 30.78 1h5b n GLN 98 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h5b s LEU 99 N -1.03 3.62 -0.19 1.69 1.43 -1.26 -4.73 118.68 118.21 1h5b s LEU 99 Ca 0.04 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1h5b s LEU 99 Cb -0.01 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1h5b s LEU 99 CO 0.16 -0.09 -0.15 -0.63 0.23 0.00 0.00 176.35 175.87 1h5b s ILE 100 N -2.22 2.49 0.07 -0.59 1.01 -0.73 -4.95 121.20 116.29 1h5b s ILE 100 Ca 0.34 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1h5b s ILE 100 Cb -0.07 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1h5b s ILE 100 CO 0.24 0.50 0.23 -0.36 0.00 0.00 0.00 174.94 175.55 1h5b s PHE 101 N 1.32 3.51 0.90 3.97 0.40 -1.26 -1.23 117.98 125.59 1h5b s PHE 101 Ca 0.05 0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 56.50 1h5b s PHE 101 Cb -0.14 -1.77 0.14 0.00 0.51 0.00 0.00 43.02 41.76 1h5b s PHE 101 CO -0.09 0.57 1.22 0.20 0.70 0.00 0.00 175.22 177.82 1h5b s GLY 102 N -2.55 1.65 0.21 4.36 0.00 0.46 -4.77 107.32 106.67 1h5b s GLY 102 Ca 0.35 -0.83 0.25 0.00 0.00 0.00 0.00 44.72 44.50 1h5b s GLY 102 CO 0.28 -0.21 1.58 0.23 0.00 0.00 0.00 173.10 174.97 1h5b h SER 103 N -1.40 0.00 -2.86 1.64 0.87 -1.89 -3.44 113.55 106.46 1h5b h SER 103 Ca -0.46 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1h5b h SER 103 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1h5b h SER 103 CO 0.54 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.49 1h5b n GLY 104 N 1.29 2.77 3.05 5.77 0.00 -1.26 -5.07 105.19 111.74 1h5b n GLY 104 Ca 0.04 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1h5b n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 105 N -1.57 1.45 -0.42 2.61 2.01 0.11 -4.72 115.64 115.12 1h5b s THR 105 Ca 0.00 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 1h5b s THR 105 Cb 0.00 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1h5b s THR 105 CO 0.00 0.43 0.53 -1.58 -0.69 0.00 0.00 174.62 173.31 1h5b s GLN 106 N 1.01 3.26 -0.21 4.92 2.00 -0.58 -0.23 119.66 129.82 1h5b s GLN 106 Ca -0.06 -0.51 -0.09 0.00 -2.00 0.00 0.00 55.36 52.70 1h5b s GLN 106 Cb -0.15 -3.93 -0.05 0.00 0.80 0.00 0.00 33.01 29.68 1h5b s GLN 106 CO -0.02 -0.88 0.11 -1.17 -0.50 0.00 0.00 175.29 172.84 1h5b s LEU 107 N 2.45 4.01 -0.17 3.68 2.96 0.17 -1.44 118.68 130.34 1h5b s LEU 107 Ca 0.17 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1h5b s LEU 107 Cb -0.16 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1h5b s LEU 107 CO 0.16 0.13 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.24 1h5b s THR 108 N 0.64 1.95 -0.19 3.68 2.01 -0.19 -1.03 115.64 122.51 1h5b s THR 108 Ca 0.06 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1h5b s THR 108 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1h5b s THR 108 CO 0.01 0.52 0.08 -0.69 -0.69 0.00 0.00 174.62 173.86 1h5b s VAL 109 N 1.24 4.93 -0.06 3.82 1.01 -1.26 -1.20 120.40 128.87 1h5b s VAL 109 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1h5b s VAL 109 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1h5b s VAL 109 CO -0.10 0.44 0.07 -0.04 0.00 0.00 0.00 175.10 175.47 1h5b s MET 110 N 0.49 3.14 0.48 2.72 -1.94 0.40 -4.79 119.30 119.80 1h5b s MET 110 Ca 0.04 -0.37 -0.22 0.00 -1.71 0.00 0.00 55.69 53.43 1h5b s MET 110 Cb -0.12 -2.92 -0.07 0.00 2.01 0.00 0.00 34.83 33.73 1h5b s MET 110 CO 0.00 0.70 1.19 -1.25 -0.01 0.00 0.00 175.02 175.65 1h5b s PRO 111 N -1.27 3.62 0.00 2.03 0.04 -1.26 -0.66 135.00 137.49 1h5b s PRO 111 Ca 0.18 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1h5b s PRO 111 Cb -0.12 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1h5b s PRO 111 CO 0.08 -0.68 0.00 0.28 0.04 0.00 0.00 177.00 176.72 1h5b n VAL 112 N -0.66 0.00 -0.14 -0.36 0.31 -1.26 -4.82 118.33 111.39 1h5b n VAL 112 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1h5b n VAL 112 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1h5b n VAL 112 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92