#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5b s ASP 2 N 0.00 6.52 -0.05 1.61 1.01 -1.26 -4.91 116.67 119.59 1h5b s ASP 2 Ca 0.00 0.61 0.12 0.00 0.71 0.00 0.00 52.55 53.99 1h5b s ASP 2 Cb 0.00 -2.19 -0.17 0.00 1.01 0.00 0.00 42.92 41.57 1h5b s ASP 2 CO 0.00 0.17 0.19 1.67 0.21 0.00 0.00 175.17 177.41 1h5b n GLN 3 N 3.05 1.01 -3.81 8.23 7.27 -1.26 -4.78 117.38 127.08 1h5b n GLN 3 Ca -0.13 -0.07 -0.27 0.00 0.07 0.00 0.00 57.00 56.60 1h5b n GLN 3 Cb 0.52 -1.30 -0.17 0.00 2.41 0.00 0.00 30.24 31.71 1h5b n GLN 3 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1h5b s VAL 4 N -2.65 0.76 -0.19 1.69 1.01 -1.26 -1.26 120.40 118.49 1h5b s VAL 4 Ca -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1h5b s VAL 4 Cb 0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1h5b s VAL 4 CO 0.50 0.04 -0.06 -0.70 0.00 0.00 0.00 175.10 174.88 1h5b s GLU 5 N 1.78 3.42 -0.05 2.72 2.56 0.20 -4.58 118.70 124.75 1h5b s GLU 5 Ca 0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 54.97 54.33 1h5b s GLU 5 Cb -0.15 -2.92 -0.04 0.00 2.00 0.00 0.00 34.13 33.02 1h5b s GLU 5 CO -0.07 -0.05 0.08 -1.14 -0.56 0.00 0.00 175.26 173.51 1h5b s GLN 6 N 1.09 3.15 -0.05 4.30 0.74 -1.26 0.76 119.66 128.39 1h5b s GLN 6 Ca 0.01 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 54.84 1h5b s GLN 6 Cb -0.15 -2.93 0.04 0.00 1.10 0.00 0.00 33.01 31.08 1h5b s GLN 6 CO -0.01 0.69 0.46 -1.54 -0.55 0.00 0.00 175.29 174.34 1h5b s SER 7 N -1.36 -0.39 0.99 6.67 1.04 -0.39 -4.46 113.70 115.79 1h5b s SER 7 Ca 0.19 0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.88 1h5b s SER 7 Cb -0.12 0.49 0.20 0.00 0.10 0.00 0.00 66.02 66.69 1h5b s SER 7 CO 0.09 -0.46 1.25 -2.16 0.98 0.00 0.00 173.24 172.94 1h5b s PRO 8 N -1.04 0.48 0.05 4.02 0.04 -1.26 0.17 135.00 137.46 1h5b s PRO 8 Ca -0.11 -0.21 0.04 0.00 0.04 0.00 0.00 61.00 60.75 1h5b s PRO 8 Cb -0.03 -1.81 -0.24 0.00 0.04 0.00 0.00 34.50 32.46 1h5b s PRO 8 CO 0.06 -2.55 1.04 0.77 0.04 0.00 0.00 177.00 176.36 1h5b h SER 9 N -1.74 0.17 -4.77 6.66 0.02 -1.83 -3.42 113.55 108.64 1h5b h SER 9 Ca -0.45 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.16 1h5b h SER 9 Cb 1.27 -0.05 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 1h5b h SER 9 CO 0.43 1.17 -0.33 0.00 -1.14 0.00 0.00 176.83 176.96 1h5b s ALA 10 N -2.66 -0.69 -0.09 3.77 0.00 -1.26 -0.86 121.76 119.97 1h5b s ALA 10 Ca -0.03 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.00 1h5b s ALA 10 Cb 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1h5b s ALA 10 CO 0.84 -0.23 0.61 -0.48 0.00 0.00 0.00 175.76 176.50 1h5b s LEU 11 N -1.06 -0.36 -0.12 0.00 2.34 -0.67 -4.94 118.68 113.87 1h5b s LEU 11 Ca -0.11 0.76 0.03 0.00 0.06 0.00 0.00 54.13 54.87 1h5b s LEU 11 Cb -0.05 2.25 0.01 0.00 -0.56 0.00 0.00 46.19 47.84 1h5b s LEU 11 CO 0.03 -0.49 -0.22 -0.44 -1.06 0.00 0.00 176.35 174.17 1h5b s SER 12 N -0.83 3.01 0.13 1.48 0.01 -1.26 -0.99 113.70 115.25 1h5b s SER 12 Ca -0.09 -0.56 0.08 0.00 1.31 0.00 0.00 55.95 56.69 1h5b s SER 12 Cb -0.02 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1h5b s SER 12 CO 0.07 0.10 -0.19 -0.76 0.41 0.00 0.00 173.24 172.87 1h5b s LEU 13 N 0.65 2.37 0.17 2.44 1.43 -0.11 -4.99 118.68 120.64 1h5b s LEU 13 Ca -0.12 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1h5b s LEU 13 Cb -0.16 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 1h5b s LEU 13 CO 0.02 -0.01 0.61 -1.00 0.23 0.00 0.00 176.35 176.21 1h5b s HIS 14 N -1.67 3.64 0.26 0.29 3.76 -1.26 -0.03 115.29 120.28 1h5b s HIS 14 Ca 0.10 1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.92 1h5b s HIS 14 Cb -0.08 -2.47 -0.14 0.00 1.11 0.00 0.00 32.58 31.00 1h5b s HIS 14 CO 0.05 0.41 1.09 -1.91 -0.85 0.00 0.00 174.74 173.53 1h5b n GLU 15 N 0.84 1.42 0.00 1.40 2.13 0.60 -2.03 120.64 125.00 1h5b n GLU 15 Ca -0.05 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1h5b n GLU 15 Cb 0.51 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 1.44 2.19 3.93 8.31 0.00 0.15 -4.90 105.19 116.31 1h5b n GLY 16 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.32 3.32 0.05 2.61 -4.23 -0.86 -4.03 115.64 110.19 1h5b s THR 17 Ca 0.00 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.39 1h5b s THR 17 Cb 0.00 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 1h5b s THR 17 CO 0.00 -0.30 -0.17 -1.81 -0.54 0.00 0.00 174.62 171.79 1h5b s ASP 18 N -4.35 3.87 0.23 3.99 1.01 -1.26 -1.56 116.67 118.61 1h5b s ASP 18 Ca 0.55 -0.43 -0.17 0.00 0.71 0.00 0.00 52.55 53.20 1h5b s ASP 18 Cb -0.10 -0.63 0.02 0.00 1.01 0.00 0.00 42.92 43.21 1h5b s ASP 18 CO 0.43 0.24 0.55 -0.55 0.21 0.00 0.00 175.17 176.06 1h5b s SER 19 N -1.58 -0.21 0.03 0.27 0.15 -0.73 -5.00 113.70 106.62 1h5b s SER 19 Ca 0.15 -0.65 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1h5b s SER 19 Cb -0.11 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1h5b s SER 19 CO 0.06 -1.15 -0.11 0.00 1.20 0.00 0.00 173.24 173.25 1h5b s ALA 20 N -3.93 0.89 0.11 5.45 0.00 -1.26 -0.70 121.76 122.32 1h5b s ALA 20 Ca 0.14 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1h5b s ALA 20 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1h5b s ALA 20 CO 0.03 0.15 0.18 -0.51 0.00 0.00 0.00 175.76 175.61 1h5b s LEU 21 N -0.95 4.08 0.07 0.00 1.43 0.10 -4.69 118.68 118.72 1h5b s LEU 21 Ca -0.00 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1h5b s LEU 21 Cb -0.07 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1h5b s LEU 21 CO 0.01 0.12 -0.16 -0.60 0.23 0.00 0.00 176.35 175.95 1h5b s ARG 22 N -2.79 0.92 -0.23 1.70 3.52 0.13 -0.91 118.95 121.29 1h5b s ARG 22 Ca 0.32 -0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1h5b s ARG 22 Cb -0.12 -0.98 0.06 0.00 -1.56 0.00 0.00 34.95 32.36 1h5b s ARG 22 CO 0.25 0.23 -0.00 0.00 -0.81 0.00 0.00 175.30 174.97 1h5b s ASN 24 N 1.59 6.33 -0.11 0.00 3.84 0.23 -0.97 114.94 125.86 1h5b s ASN 24 Ca -0.02 0.39 0.01 0.00 0.21 0.00 0.00 52.86 53.45 1h5b s ASN 24 Cb -0.18 -2.09 -0.02 0.00 -0.55 0.00 0.00 41.25 38.41 1h5b s ASN 24 CO -0.08 0.30 -0.15 -0.36 -2.79 0.00 0.00 177.10 174.02 1h5b s PHE 25 N -0.40 2.75 -0.43 0.43 2.99 0.22 0.63 117.98 124.16 1h5b s PHE 25 Ca 0.13 -0.57 0.24 0.00 0.00 0.00 0.00 56.93 56.72 1h5b s PHE 25 Cb -0.12 -1.78 1.02 0.00 0.00 0.00 0.00 43.02 42.14 1h5b s PHE 25 CO 0.02 -0.14 1.72 0.25 -0.00 0.00 0.00 175.22 177.07 1h5b n THR 26 N 3.24 0.84 -3.79 0.64 -2.24 -0.39 -4.73 114.28 107.84 1h5b n THR 26 Ca -0.18 0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1h5b n THR 26 Cb 0.53 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 1h5b n THR 26 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h5b s THR 27 N -3.35 0.09 0.18 4.28 2.01 -1.26 -5.13 115.64 112.45 1h5b s THR 27 Ca 0.03 -0.70 -0.33 0.00 0.31 0.00 0.00 61.69 61.00 1h5b s THR 27 Cb 0.09 -0.83 -0.14 0.00 0.01 0.00 0.00 72.50 71.63 1h5b s THR 27 CO 0.38 -0.39 1.44 0.41 -0.69 0.00 0.00 174.62 175.77 1h5b n THR 28 N 0.81 0.41 -4.32 -0.82 -1.04 -1.26 -4.85 114.28 103.21 1h5b n THR 28 Ca -0.20 -0.10 -0.27 0.00 -2.04 0.00 0.00 64.05 61.44 1h5b n THR 28 Cb 0.58 -1.33 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 1h5b n THR 28 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1h5b s MET 29 N 0.27 1.91 0.13 -2.82 -1.94 -1.23 -4.96 119.30 110.66 1h5b s MET 29 Ca 0.75 -1.31 -0.07 0.00 -1.71 0.00 0.00 55.69 53.36 1h5b s MET 29 Cb -0.73 -2.09 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 1h5b s MET 29 CO 0.45 0.43 1.34 -0.09 -0.01 0.00 0.00 175.02 177.14 1h5b h ARG 30 N 3.07 0.55 -3.11 2.03 9.65 -1.13 -3.48 114.38 121.97 1h5b h ARG 30 Ca -0.47 -0.50 -0.01 0.00 -1.10 0.00 0.00 59.98 57.90 1h5b h ARG 30 Cb 1.20 0.12 -0.11 0.00 -1.39 0.00 0.00 29.97 29.79 1h5b h ARG 30 CO 0.52 1.12 0.14 -1.54 2.80 0.00 0.00 179.97 183.02 1h5b s SER 31 N -7.07 -0.43 0.06 -3.80 1.04 -1.14 -4.50 113.70 97.86 1h5b s SER 31 Ca -0.07 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1h5b s SER 31 Cb 0.09 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 1h5b s SER 31 CO 0.87 -1.02 -0.15 0.54 0.98 0.00 0.00 173.24 174.47 1h5b s VAL 32 N -3.80 1.14 -0.02 5.02 0.11 -0.02 -1.31 120.40 121.53 1h5b s VAL 32 Ca 0.04 -1.24 0.03 0.00 -2.93 0.00 0.00 61.98 57.88 1h5b s VAL 32 Cb -0.01 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1h5b s VAL 32 CO -0.08 -0.15 -0.11 -1.58 -3.33 0.00 0.00 175.10 169.84 1h5b s GLN 33 N -1.59 0.99 -0.09 1.54 0.74 0.39 -0.91 119.66 120.74 1h5b s GLN 33 Ca -0.01 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.05 1h5b s GLN 33 Cb -0.09 -0.94 -0.02 0.00 1.10 0.00 0.00 33.01 33.06 1h5b s GLN 33 CO 0.02 0.19 -0.17 -1.58 -0.55 0.00 0.00 175.29 173.21 1h5b s TRP 34 N -0.07 2.68 0.13 1.67 0.52 -0.50 -0.78 118.94 122.59 1h5b s TRP 34 Ca 0.01 -0.54 0.05 0.00 0.02 0.00 0.00 56.10 55.64 1h5b s TRP 34 Cb -0.06 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1h5b s TRP 34 CO 0.00 -0.11 -0.12 -0.06 0.02 0.00 0.00 176.95 176.68 1h5b s PHE 35 N -0.09 1.31 -0.07 -1.98 0.40 0.11 0.38 117.98 118.04 1h5b s PHE 35 Ca -0.03 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.70 1h5b s PHE 35 Cb -0.14 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.72 1h5b s PHE 35 CO 0.04 0.11 -0.15 0.50 0.70 0.00 0.00 175.22 176.42 1h5b s ARG 36 N -3.01 1.97 0.06 0.44 3.52 -0.52 -1.16 118.95 120.24 1h5b s ARG 36 Ca 0.11 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 54.89 1h5b s ARG 36 Cb -0.02 -1.59 -0.06 0.00 -1.56 0.00 0.00 34.95 31.72 1h5b s ARG 36 CO 0.02 0.07 1.19 -1.14 -0.81 0.00 0.00 175.30 174.63 1h5b s GLN 37 N 0.56 4.44 0.44 5.12 0.74 -0.28 -1.11 119.66 129.56 1h5b s GLN 37 Ca -0.15 1.76 -0.04 0.00 0.05 0.00 0.00 55.36 56.98 1h5b s GLN 37 Cb -0.16 -3.35 0.09 0.00 1.10 0.00 0.00 33.01 30.69 1h5b s GLN 37 CO 0.05 -0.25 0.60 0.27 -0.55 0.00 0.00 175.29 175.41 1h5b n ASN 38 N 3.94 0.45 0.22 6.67 0.23 0.22 -4.66 115.26 122.33 1h5b n ASN 38 Ca 0.09 -1.47 0.15 0.00 -0.53 0.00 0.00 54.58 52.82 1h5b n ASN 38 Cb 0.47 -0.42 0.77 0.00 -2.08 0.00 0.00 39.78 38.51 1h5b n ASN 38 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1h5b h SER 39 N -0.56 0.00 -0.02 0.53 4.64 -1.96 -1.47 113.55 114.71 1h5b h SER 39 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1h5b h SER 39 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1h5b h SER 39 CO 0.18 0.00 -0.34 0.54 -0.87 0.00 0.00 176.83 176.34 1h5b n ARG 40 N -2.58 1.54 -0.08 4.77 1.74 -1.26 -4.97 116.66 115.81 1h5b n ARG 40 Ca -0.01 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1h5b n ARG 40 Cb 0.10 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.40 0.55 3.77 -0.13 0.00 -0.55 -5.06 105.19 105.17 1h5b n GLY 41 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.66 6.06 -0.56 1.61 0.01 -1.26 -4.70 113.70 112.19 1h5b s SER 42 Ca 0.00 2.22 -0.18 0.00 1.31 0.00 0.00 55.95 59.30 1h5b s SER 42 Cb 0.00 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.74 1h5b s SER 42 CO 0.00 -0.99 0.63 -0.76 0.41 0.00 0.00 173.24 172.53 1h5b s LEU 43 N -3.31 5.51 -0.19 2.44 1.43 -1.26 -0.61 118.68 122.70 1h5b s LEU 43 Ca 0.67 -1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 1h5b s LEU 43 Cb -0.26 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 1h5b s LEU 43 CO 0.30 -1.00 0.82 -0.63 0.23 0.00 0.00 176.35 176.08 1h5b s ILE 44 N 2.38 4.88 0.15 -0.59 -1.09 -0.27 -4.84 121.20 121.82 1h5b s ILE 44 Ca 0.10 1.60 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 1h5b s ILE 44 Cb -0.25 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 1h5b s ILE 44 CO 0.06 0.01 1.55 -0.55 -1.23 0.00 0.00 174.94 174.78 1h5b s SER 45 N 1.19 6.63 -0.27 3.58 0.15 -1.26 -1.44 113.70 122.28 1h5b s SER 45 Ca 0.37 2.56 -0.07 0.00 0.70 0.00 0.00 55.95 59.51 1h5b s SER 45 Cb -0.16 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.41 1h5b s SER 45 CO 0.11 -0.80 -0.28 0.18 1.20 0.00 0.00 173.24 173.65 1h5b n LEU 46 N 4.10 2.41 -3.80 3.45 4.77 0.16 -4.93 117.00 123.17 1h5b n LEU 46 Ca 0.14 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1h5b n LEU 46 Cb 0.39 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 1h5b n LEU 46 CO 0.61 0.74 -0.03 -0.36 -1.33 0.00 0.00 177.39 177.02 1h5b s PHE 47 N -2.51 0.00 -0.05 -1.77 0.40 -1.14 -4.99 117.98 107.92 1h5b s PHE 47 Ca -0.37 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1h5b s PHE 47 Cb 0.12 0.03 0.03 0.00 0.51 0.00 0.00 43.02 43.71 1h5b s PHE 47 CO 0.55 -0.52 0.05 -0.47 0.70 0.00 0.00 175.22 175.53 1h5b s TYR 48 N -3.07 0.16 -0.03 0.36 5.04 -1.26 -1.42 117.35 117.14 1h5b s TYR 48 Ca -0.01 0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 1h5b s TYR 48 Cb 0.01 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1h5b s TYR 48 CO -0.07 -0.22 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.33 1h5b s LEU 49 N 2.14 1.75 -0.00 6.97 1.02 -0.08 -4.98 118.68 125.49 1h5b s LEU 49 Ca 0.05 -0.17 0.22 0.00 0.02 0.00 0.00 54.13 54.25 1h5b s LEU 49 Cb -0.12 -0.50 -0.28 0.00 0.02 0.00 0.00 46.19 45.30 1h5b s LEU 49 CO -0.04 0.05 0.60 0.00 0.02 0.00 0.00 176.35 176.99 1h5b n ALA 50 N 3.35 3.07 0.00 4.21 0.00 -1.26 -0.84 120.51 129.03 1h5b n ALA 50 Ca -0.19 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1h5b n ALA 50 Cb 0.54 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.18 0.00 0.00 0.00 3.41 -1.26 -4.67 113.62 108.91 1h5b n SER 51 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1h5b n SER 51 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.91 3.11 5.00 0.00 -1.13 -4.72 105.19 108.21 1h5b n GLY 52 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1h5b n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h5b s THR 53 N 0.00 0.15 0.04 2.61 -4.23 -1.26 -0.66 115.64 112.29 1h5b s THR 53 Ca 0.00 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1h5b s THR 53 Cb 0.00 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 1h5b s THR 53 CO 0.00 -0.68 -0.04 -0.54 -0.54 0.00 0.00 174.62 172.82 1h5b s LYS 54 N -2.91 0.51 -0.00 3.99 1.02 -0.15 -5.00 119.74 117.20 1h5b s LYS 54 Ca -0.02 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 54.99 1h5b s LYS 54 Cb 0.01 0.04 -0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1h5b s LYS 54 CO -0.06 -0.05 0.11 -2.00 -0.92 0.00 0.00 175.35 172.43 1h5b s GLU 55 N -2.59 0.38 -0.30 1.68 2.12 -1.26 -0.57 118.70 118.16 1h5b s GLU 55 Ca -0.04 -0.32 -0.07 0.00 0.36 0.00 0.00 54.97 54.90 1h5b s GLU 55 Cb -0.02 0.16 0.16 0.00 0.26 0.00 0.00 34.13 34.69 1h5b s GLU 55 CO -0.04 -0.08 0.70 1.21 -0.54 0.00 0.00 175.26 176.51 1h5b s ASN 56 N -1.09 -1.12 1.47 -1.70 2.47 -0.21 -5.01 114.94 109.75 1h5b s ASN 56 Ca -0.12 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.26 1h5b s ASN 56 Cb -0.07 2.10 0.00 0.00 -1.45 0.00 0.00 41.25 41.83 1h5b s ASN 56 CO 0.01 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 1h5b n GLY 57 N 5.39 2.76 0.25 1.21 0.00 -1.26 -1.84 105.19 111.70 1h5b n GLY 57 Ca -0.07 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 13.57 1.34 -4.09 1.61 1.74 -1.26 -4.87 116.66 124.70 1h5b n ARG 58 Ca 0.00 -0.50 -0.33 0.00 -0.77 0.00 0.00 57.85 56.25 1h5b n ARG 58 Cb 0.00 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 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 -1.94 3.95 -0.08 0.55 1.43 -0.77 -1.57 118.68 120.25 1h5b s LEU 59 Ca 0.41 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1h5b s LEU 59 Cb 0.21 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1h5b s LEU 59 CO 0.34 0.29 0.20 -0.75 0.23 0.00 0.00 176.35 176.65 1h5b s LYS 60 N -1.63 0.17 0.10 1.70 2.20 -0.80 -1.04 119.74 120.44 1h5b s LYS 60 Ca 0.22 0.41 0.10 0.00 -0.36 0.00 0.00 55.97 56.33 1h5b s LYS 60 Cb -0.12 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 1h5b s LYS 60 CO 0.13 -0.13 -0.25 -1.54 -0.36 0.00 0.00 175.35 173.19 1h5b s SER 61 N 0.93 3.09 0.01 1.43 1.04 0.27 0.67 113.70 121.14 1h5b s SER 61 Ca -0.07 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1h5b s SER 61 Cb -0.08 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1h5b s SER 61 CO -0.05 0.18 -0.05 0.00 0.98 0.00 0.00 173.24 174.30 1h5b s ALA 62 N -0.99 0.35 -0.34 5.32 0.00 -0.42 -0.97 121.76 124.70 1h5b s ALA 62 Ca 0.12 -0.32 0.15 0.00 0.00 0.00 0.00 51.96 51.90 1h5b s ALA 62 Cb -0.10 -0.04 0.43 0.00 0.00 0.00 0.00 23.12 23.42 1h5b s ALA 62 CO 0.04 0.04 1.20 0.34 0.00 0.00 0.00 175.76 177.38 1h5b n PHE 63 N 2.56 -0.59 -0.73 0.00 -0.00 0.16 -1.66 117.46 117.20 1h5b n PHE 63 Ca -0.16 -2.25 0.09 0.00 -0.00 0.00 0.00 57.45 55.13 1h5b n PHE 63 Cb 0.58 0.63 0.37 0.00 -0.00 0.00 0.00 39.48 41.05 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 -0.52 5.07 -4.77 -2.13 5.68 -1.15 -2.83 116.55 115.89 1h5b n ASP 64 Ca 0.01 -2.62 -0.37 0.00 -0.50 0.00 0.00 54.79 51.31 1h5b n ASP 64 Cb 0.84 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 40.20 1h5b n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1h5b s SER 65 N -0.91 6.09 0.08 -1.12 0.01 -1.26 -4.89 113.70 111.70 1h5b s SER 65 Ca 0.52 2.29 -0.33 0.00 1.31 0.00 0.00 55.95 59.75 1h5b s SER 65 Cb 0.36 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.82 1h5b s SER 65 CO 0.21 -0.97 1.62 0.11 0.41 0.00 0.00 173.24 174.62 1h5b h LYS 66 N 1.92 -0.83 0.00 12.44 1.57 -1.98 -2.83 116.57 126.85 1h5b h LYS 66 Ca -0.49 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1h5b h LYS 66 Cb 1.25 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1h5b h LYS 66 CO 0.60 -0.56 0.00 0.93 -0.57 0.00 0.00 179.45 179.85 1h5b h GLU 67 N -0.86 0.00 -5.56 3.15 5.08 -2.00 -3.48 114.58 110.91 1h5b h GLU 67 Ca -0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1h5b h GLU 67 Cb 0.70 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.13 1h5b h GLU 67 CO 0.07 0.00 -0.80 0.54 -1.00 0.00 0.00 179.01 177.82 1h5b n ARG 68 N -3.04 -5.00 0.00 2.33 1.74 -1.07 -4.56 116.66 107.06 1h5b n ARG 68 Ca 0.04 0.85 0.12 0.00 -0.77 0.00 0.00 57.85 58.09 1h5b n ARG 68 Cb 0.50 -5.84 0.25 0.00 -1.02 0.00 0.00 32.46 26.35 1h5b n ARG 68 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1h5b n ARG 69 N -3.79 0.83 -3.82 5.56 0.63 -1.26 -3.53 116.66 111.29 1h5b n ARG 69 Ca -0.21 -0.56 -0.06 0.00 -0.92 0.00 0.00 57.85 56.11 1h5b n ARG 69 Cb 0.65 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 32.05 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 -2.56 -0.17 0.01 -0.14 1.13 -1.26 0.69 117.35 115.06 1h5b s TYR 70 Ca 0.21 -0.23 -0.09 0.00 -1.41 0.00 0.00 57.07 55.56 1h5b s TYR 70 Cb 0.19 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.73 1h5b s TYR 70 CO 0.56 -1.08 0.17 0.45 -2.51 0.00 0.00 175.55 173.14 1h5b s SER 71 N -2.93 0.01 0.14 -0.18 0.15 -0.15 -4.72 113.70 106.03 1h5b s SER 71 Ca 0.11 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.63 1h5b s SER 71 Cb -0.04 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1h5b s SER 71 CO 0.05 -0.42 -0.20 0.42 1.20 0.00 0.00 173.24 174.29 1h5b s THR 72 N -1.66 1.81 -0.18 6.45 -4.23 -0.67 -0.47 115.64 116.70 1h5b s THR 72 Ca -0.12 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1h5b s THR 72 Cb -0.06 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.08 1h5b s THR 72 CO 0.01 -0.19 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.60 1h5b s LEU 73 N -2.33 1.88 -0.16 4.79 2.96 -0.09 -1.30 118.68 124.44 1h5b s LEU 73 Ca 0.12 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 1h5b s LEU 73 Cb -0.08 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1h5b s LEU 73 CO 0.06 -0.15 0.17 -1.00 -1.32 0.00 0.00 176.35 174.10 1h5b s HIS 74 N 1.52 3.50 -0.20 5.38 3.76 0.21 0.01 115.29 129.48 1h5b s HIS 74 Ca 0.00 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1h5b s HIS 74 Cb -0.15 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.45 1h5b s HIS 74 CO -0.08 0.46 -0.16 0.42 -0.85 0.00 0.00 174.74 174.53 1h5b s ILE 75 N -0.20 2.31 0.06 0.60 1.01 0.12 -1.91 121.20 123.20 1h5b s ILE 75 Ca 0.12 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1h5b s ILE 75 Cb -0.12 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1h5b s ILE 75 CO 0.02 0.43 0.03 -0.13 0.00 0.00 0.00 174.94 175.29 1h5b s ARG 76 N 1.30 2.73 -1.34 2.79 0.52 -0.61 -1.77 118.95 122.57 1h5b s ARG 76 Ca 0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1h5b s ARG 76 Cb -0.14 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.68 1h5b s ARG 76 CO -0.10 0.57 0.54 -3.47 0.02 0.00 0.00 175.30 172.85 1h5b n ASP 77 N 0.72 -1.27 -4.54 0.23 2.03 -1.18 -4.79 116.55 107.75 1h5b n ASP 77 Ca -0.11 -0.97 -0.50 0.00 0.52 0.00 0.00 54.79 53.73 1h5b n ASP 77 Cb 0.52 -3.32 -0.05 0.00 -0.72 0.00 0.00 41.12 37.56 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 -4.34 -1.55 -2.55 -1.67 0.00 -0.60 -4.42 120.51 105.38 1h5b n ALA 78 Ca -0.28 0.48 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 1h5b n ALA 78 Cb 0.67 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 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 1.99 0.30 0.00 -1.52 -1.26 0.31 119.66 119.07 1h5b s GLN 79 Ca 0.75 -1.31 0.06 0.00 -1.95 0.00 0.00 55.36 52.90 1h5b s GLN 79 Cb -0.93 -2.11 0.75 0.00 -0.22 0.00 0.00 33.01 30.49 1h5b s GLN 79 CO 0.54 0.43 1.76 -0.07 -0.25 0.00 0.00 175.29 177.69 1h5b h LEU 80 N 2.91 0.71 0.00 2.90 3.38 -1.94 0.15 115.31 123.42 1h5b h LEU 80 Ca -0.46 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1h5b h LEU 80 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1h5b h LEU 80 CO 0.54 0.22 0.00 -1.84 0.09 0.00 0.00 178.44 177.45 1h5b n GLU 81 N -4.82 0.49 0.06 1.13 0.00 -1.26 -2.23 120.64 114.01 1h5b n GLU 81 Ca 0.23 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.55 1h5b n GLU 81 Cb 0.60 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.84 1h5b n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1h5b n ASP 82 N -1.07 0.64 -4.72 -1.84 8.00 0.51 -4.87 116.55 113.21 1h5b n ASP 82 Ca 0.12 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 1h5b n ASP 82 Cb 0.08 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 1h5b n ASP 82 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1h5b n SER 83 N -2.03 3.26 0.00 -2.24 7.64 -0.95 -4.86 113.62 114.44 1h5b n SER 83 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1h5b n SER 83 Cb 0.41 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 1.61 -1.23 3.63 0.23 0.00 -0.03 -4.99 105.19 104.42 1h5b n GLY 84 Ca 0.08 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.73 4.74 -0.01 2.61 2.01 -1.26 -0.70 115.64 120.29 1h5b s THR 85 Ca 0.00 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1h5b s THR 85 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1h5b s THR 85 CO 0.00 0.46 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.91 1h5b s TYR 86 N 0.37 2.60 0.08 4.92 1.51 0.01 -1.13 117.35 125.71 1h5b s TYR 86 Ca 0.03 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1h5b s TYR 86 Cb -0.12 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 1h5b s TYR 86 CO 0.00 0.18 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.43 1h5b s PHE 87 N -0.79 1.17 0.18 2.71 0.40 -0.31 -0.16 117.98 121.18 1h5b s PHE 87 Ca 0.12 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1h5b s PHE 87 Cb -0.10 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 1h5b s PHE 87 CO 0.02 0.05 -0.18 0.00 0.70 0.00 0.00 175.22 175.81 1h5b s ALA 89 N -2.18 -0.60 0.12 0.00 0.00 0.04 -0.62 121.76 118.52 1h5b s ALA 89 Ca 0.17 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1h5b s ALA 89 Cb -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1h5b s ALA 89 CO 0.07 -0.22 -0.26 0.00 0.00 0.00 0.00 175.76 175.35 1h5b s ALA 90 N -1.13 2.25 -0.20 0.00 0.00 0.68 -0.46 121.76 122.89 1h5b s ALA 90 Ca -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1h5b s ALA 90 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1h5b s ALA 90 CO 0.03 0.50 -0.07 -2.00 0.00 0.00 0.00 175.76 174.21 1h5b s GLU 91 N -1.96 3.33 -0.01 0.00 2.12 -0.42 -1.01 118.70 120.75 1h5b s GLU 91 Ca 0.12 -0.66 -0.21 0.00 0.36 0.00 0.00 54.97 54.58 1h5b s GLU 91 Cb -0.10 -2.90 -0.22 0.00 0.26 0.00 0.00 34.13 31.16 1h5b s GLU 91 CO 0.05 -0.14 1.10 0.00 -0.54 0.00 0.00 175.26 175.73 1h5b h ALA 92 N 7.90 0.08 -2.27 6.30 0.00 -1.87 -0.28 119.26 129.11 1h5b h ALA 92 Ca -0.40 -0.52 -0.46 0.00 0.00 0.00 0.00 54.91 53.53 1h5b h ALA 92 Cb 1.16 0.02 0.10 0.00 0.00 0.00 0.00 17.79 19.07 1h5b h ALA 92 CO 0.60 0.25 0.30 -1.12 0.00 0.00 0.00 179.25 179.29 1h5b s SER 93 N -6.56 4.40 0.03 0.00 0.01 -1.26 -3.71 113.70 106.61 1h5b s SER 93 Ca -0.14 0.45 0.26 0.00 1.31 0.00 0.00 55.95 57.83 1h5b s SER 93 Cb 0.03 -0.94 0.67 0.00 0.21 0.00 0.00 66.02 66.00 1h5b s SER 93 CO 0.79 -1.90 1.54 -1.20 0.41 0.00 0.00 173.24 172.89 1h5b n SER 94 N -3.17 0.43 -0.98 2.44 7.64 -1.26 -4.33 113.62 114.38 1h5b n SER 94 Ca 0.10 0.05 -0.03 0.00 1.01 0.00 0.00 58.87 60.00 1h5b n SER 94 Cb 0.60 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1h5b n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h5b n GLY 95 N 1.46 0.69 3.83 0.23 0.00 -1.26 -5.09 105.19 105.04 1h5b n GLY 95 Ca 0.05 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1h5b n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5b s ALA 96 N 0.00 3.13 -0.97 4.61 0.00 -1.26 -4.96 121.76 122.30 1h5b s ALA 96 Ca 0.07 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.51 1h5b s ALA 96 Cb 0.08 -3.03 0.35 0.00 0.00 0.00 0.00 23.12 20.52 1h5b s ALA 96 CO -0.03 0.11 1.30 -2.67 0.00 0.00 0.00 175.76 174.47 1h5b n TRP 97 N -0.77 0.03 -2.86 0.00 2.14 -1.26 -4.89 117.44 109.83 1h5b n TRP 97 Ca 0.06 0.01 -0.40 0.00 2.07 0.00 0.00 57.50 59.23 1h5b n TRP 97 Cb 0.54 -0.23 -0.05 0.00 -0.81 0.00 0.00 31.31 30.76 1h5b n TRP 97 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1h5b s GLN 98 N -3.01 4.61 0.12 -2.67 -0.21 -1.26 -5.06 119.66 112.17 1h5b s GLN 98 Ca 0.10 1.27 0.10 0.00 0.02 0.00 0.00 55.36 56.84 1h5b s GLN 98 Cb 0.17 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 1h5b s GLN 98 CO 0.74 0.30 -0.24 -0.51 -2.12 0.00 0.00 175.29 173.45 1h5b s LEU 99 N -0.21 2.31 -0.25 2.90 1.43 -1.26 -4.62 118.68 118.99 1h5b s LEU 99 Ca 0.42 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1h5b s LEU 99 Cb -0.22 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1h5b s LEU 99 CO 0.27 0.12 -0.04 -0.63 0.23 0.00 0.00 176.35 176.29 1h5b s ILE 100 N -1.12 3.14 0.21 -0.59 1.01 -0.18 -4.93 121.20 118.74 1h5b s ILE 100 Ca 0.10 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1h5b s ILE 100 Cb -0.10 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1h5b s ILE 100 CO 0.05 0.25 0.46 -0.36 0.00 0.00 0.00 174.94 175.34 1h5b s PHE 101 N 1.39 3.47 0.78 3.97 0.40 -1.26 -0.23 117.98 126.49 1h5b s PHE 101 Ca 0.02 0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 56.85 1h5b s PHE 101 Cb -0.16 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.43 1h5b s PHE 101 CO -0.03 0.32 1.11 0.20 0.70 0.00 0.00 175.22 177.51 1h5b s GLY 102 N -2.78 1.69 0.05 4.36 0.00 0.21 -4.77 107.32 106.08 1h5b s GLY 102 Ca 0.42 -0.99 0.28 0.00 0.00 0.00 0.00 44.72 44.44 1h5b s GLY 102 CO 0.26 -0.48 1.89 -1.14 0.00 0.00 0.00 173.10 173.63 1h5b n SER 103 N -3.16 0.20 0.00 1.64 3.41 -1.26 -4.77 113.62 109.69 1h5b n SER 103 Ca 0.10 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1h5b n SER 103 Cb 0.60 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1h5b n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h5b n GLY 104 N 1.45 2.25 2.93 5.00 0.00 -1.26 -5.05 105.19 110.51 1h5b n GLY 104 Ca 0.07 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.69 0.79 -0.40 2.61 2.01 0.78 -4.65 115.64 114.08 1h5b s THR 105 Ca 0.00 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 1h5b s THR 105 Cb 0.00 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1h5b s THR 105 CO 0.00 0.29 0.40 -1.58 -0.69 0.00 0.00 174.62 173.04 1h5b s GLN 106 N 1.06 3.16 -0.21 4.92 0.74 -0.04 -0.81 119.66 128.48 1h5b s GLN 106 Ca -0.08 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.52 1h5b s GLN 106 Cb -0.14 -3.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.00 1h5b s GLN 106 CO -0.01 -0.77 0.04 -1.17 -0.55 0.00 0.00 175.29 172.83 1h5b s LEU 107 N 2.03 3.48 -0.19 3.68 0.20 0.13 -1.67 118.68 126.34 1h5b s LEU 107 Ca 0.11 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.82 1h5b s LEU 107 Cb -0.17 -1.90 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 1h5b s LEU 107 CO 0.13 0.07 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.18 1h5b s THR 108 N 1.01 2.11 -0.20 3.68 2.01 -0.16 -0.85 115.64 123.23 1h5b s THR 108 Ca 0.03 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 1h5b s THR 108 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1h5b s THR 108 CO 0.02 0.45 0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 1h5b s VAL 109 N 1.27 5.04 -0.02 3.82 1.01 -1.26 -0.94 120.40 129.32 1h5b s VAL 109 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1h5b s VAL 109 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1h5b s VAL 109 CO -0.12 0.43 0.00 -0.04 0.00 0.00 0.00 175.10 175.37 1h5b s MET 110 N 0.56 2.84 0.00 2.72 -1.94 0.96 -4.78 119.30 119.65 1h5b s MET 110 Ca 0.05 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1h5b s MET 110 Cb -0.12 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.02 1h5b s MET 110 CO 0.01 0.65 0.38 -2.30 -0.01 0.00 0.00 175.02 173.74