#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbr n GLN 26 N 0.00 0.00 -3.54 -0.99 7.27 -0.74 -4.56 117.38 114.82 3hbr n GLN 26 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 3hbr n GLN 26 Cb 0.00 -0.90 -0.09 0.00 2.41 0.00 0.00 30.24 31.66 3hbr n GLN 26 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3hbr s GLU 27 N 0.13 4.05 -0.64 3.69 2.12 -1.26 -1.41 118.70 125.38 3hbr s GLU 27 Ca 0.55 -0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.76 3hbr s GLU 27 Cb -0.77 -3.59 0.16 0.00 0.26 0.00 0.00 34.13 30.19 3hbr s GLU 27 CO 0.35 -0.07 0.43 -0.80 -0.54 0.00 0.00 175.26 174.63 3hbr s ASN 28 N 1.32 4.90 0.59 -1.70 0.02 0.19 -4.91 114.94 115.35 3hbr s ASN 28 Ca 0.11 -3.24 0.32 0.00 -1.02 0.00 0.00 52.86 49.02 3hbr s ASN 28 Cb -0.15 -1.74 1.87 0.00 0.02 0.00 0.00 41.25 41.25 3hbr s ASN 28 CO 0.08 -0.23 2.25 0.11 0.02 0.00 0.00 177.10 179.32 3hbr h LYS 29 N 6.35 0.00 -1.13 -0.60 1.57 -1.80 0.18 116.57 121.13 3hbr h LYS 29 Ca 0.02 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.11 3hbr h LYS 29 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 3hbr h LYS 29 CO 0.72 0.02 0.77 1.03 -0.57 0.00 0.00 179.45 181.42 3hbr h SER 30 N 0.00 0.22 0.54 0.86 0.87 -1.92 0.29 113.55 114.41 3hbr h SER 30 Ca -0.00 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3hbr h SER 30 Cb 0.05 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3hbr h SER 30 CO 0.00 0.02 -0.35 -0.50 -0.53 0.00 0.00 176.83 175.47 3hbr h TRP 31 N 0.18 0.00 -0.82 2.24 4.06 -1.02 -3.26 115.95 117.33 3hbr h TRP 31 Ca 0.60 0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.79 3hbr h TRP 31 Cb 1.95 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 30.08 3hbr h TRP 31 CO -0.00 0.35 0.72 -0.91 -3.56 0.00 0.00 178.44 175.04 3hbr h ASN 32 N 0.00 0.00 1.20 -3.49 2.35 -0.52 -0.87 115.58 114.25 3hbr h ASN 32 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3hbr h ASN 32 Cb 0.72 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 3hbr h ASN 32 CO 0.05 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.71 3hbr h ALA 33 N 1.34 0.98 -0.75 -0.83 0.00 -1.70 -1.98 119.26 116.33 3hbr h ALA 33 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hbr h ALA 33 Cb 1.82 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3hbr h ALA 33 CO -0.00 0.15 0.48 0.45 0.00 0.00 0.00 179.25 180.33 3hbr h HIS 34 N 0.00 0.95 0.21 0.00 3.86 -1.40 0.13 115.15 118.89 3hbr h HIS 34 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3hbr h HIS 34 Cb 0.75 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3hbr h HIS 34 CO 0.00 0.60 -0.10 0.74 0.86 0.00 0.00 177.93 180.03 3hbr h PHE 35 N 1.01 -0.26 -0.94 2.45 -1.00 -1.63 -3.33 116.94 113.25 3hbr h PHE 35 Ca 0.27 -0.01 0.38 0.00 2.81 0.00 0.00 57.97 61.42 3hbr h PHE 35 Cb -0.10 0.09 -0.17 0.00 3.61 0.00 0.00 35.95 39.38 3hbr h PHE 35 CO 0.00 0.02 0.44 2.41 -1.61 0.00 0.00 178.31 179.58 3hbr n THR 36 N -4.95 -0.39 -0.14 -1.55 -1.04 -0.78 -0.20 114.28 105.22 3hbr n THR 36 Ca -0.06 1.93 -0.04 0.00 -2.04 0.00 0.00 64.05 63.84 3hbr n THR 36 Cb 0.20 -3.09 0.16 0.00 -1.82 0.00 0.00 70.33 65.78 3hbr n THR 36 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3hbr h GLU 37 N 0.00 0.87 -0.97 -2.82 4.81 -0.88 -3.03 114.58 112.56 3hbr h GLU 37 Ca 0.77 -0.20 -0.41 0.00 -0.13 0.00 0.00 59.36 59.39 3hbr h GLU 37 Cb 1.99 -0.12 -0.25 0.00 0.63 0.00 0.00 28.75 31.01 3hbr h GLU 37 CO -0.74 0.81 0.52 0.72 -0.73 0.00 0.00 179.01 179.59 3hbr n HIS 38 N -4.25 2.58 -3.26 0.92 8.25 0.72 -4.92 115.22 115.26 3hbr n HIS 38 Ca 0.04 -1.58 -0.16 0.00 -0.26 0.00 0.00 57.72 55.76 3hbr n HIS 38 Cb 0.26 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.50 3hbr n HIS 38 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hbr n LYS 39 N -0.81 -0.95 -4.44 -0.41 3.00 -1.05 -4.92 118.16 108.58 3hbr n LYS 39 Ca 0.49 0.05 -0.26 0.00 -0.00 0.00 0.00 58.31 58.59 3hbr n LYS 39 Cb 1.48 -1.83 -0.10 0.00 0.00 0.00 0.00 35.03 34.59 3hbr n LYS 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3hbr s SER 40 N -3.28 4.02 0.04 3.14 0.01 -0.83 -5.01 113.70 111.80 3hbr s SER 40 Ca 0.10 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.19 3hbr s SER 40 Cb -0.06 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 3hbr s SER 40 CO 0.48 -0.35 -0.06 0.00 0.41 0.00 0.00 173.24 173.72 3hbr s GLN 41 N -3.72 0.50 0.00 12.44 -2.07 -1.26 -3.71 119.66 121.84 3hbr s GLN 41 Ca 0.35 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 3hbr s GLN 41 Cb 0.04 -0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.82 3hbr s GLN 41 CO 0.19 0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.57 3hbr n GLY 42 N 1.29 -0.98 3.11 2.60 0.00 -1.26 -1.19 105.19 108.76 3hbr n GLY 42 Ca -0.22 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 3hbr n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbr s VAL 43 N -3.00 1.03 -0.04 1.61 0.11 0.60 -4.82 120.40 115.89 3hbr s VAL 43 Ca 0.00 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 3hbr s VAL 43 Cb 0.00 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3hbr s VAL 43 CO 0.00 0.09 -0.24 0.54 -3.33 0.00 0.00 175.10 172.16 3hbr s VAL 44 N -0.66 1.91 -0.10 2.04 0.11 -1.26 -1.98 120.40 120.46 3hbr s VAL 44 Ca 0.02 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 3hbr s VAL 44 Cb -0.07 -1.61 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 3hbr s VAL 44 CO 0.01 0.54 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.45 3hbr s VAL 45 N -0.25 2.69 -0.01 2.04 1.01 0.29 -3.31 120.40 122.86 3hbr s VAL 45 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3hbr s VAL 45 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3hbr s VAL 45 CO 0.02 0.55 -0.21 -0.76 0.00 0.00 0.00 175.10 174.70 3hbr s LEU 46 N 0.14 2.05 -0.09 3.92 1.02 0.61 -1.80 118.68 124.53 3hbr s LEU 46 Ca -0.09 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.67 3hbr s LEU 46 Cb -0.15 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.00 3hbr s LEU 46 CO 0.06 0.25 -0.09 0.86 0.02 0.00 0.00 176.35 177.45 3hbr s TRP 47 N -0.52 1.40 -0.57 0.29 -0.11 -0.07 -0.31 118.94 119.05 3hbr s TRP 47 Ca 0.08 -0.61 -0.24 0.00 1.22 0.00 0.00 56.10 56.56 3hbr s TRP 47 Cb -0.08 -1.11 0.05 0.00 -1.50 0.00 0.00 33.47 30.82 3hbr s TRP 47 CO -0.01 -0.39 0.94 1.21 -4.62 0.00 0.00 176.95 174.08 3hbr s ASN 48 N 1.22 6.30 0.22 5.86 3.84 -0.01 -1.13 114.94 131.25 3hbr s ASN 48 Ca -0.04 -0.49 -0.09 0.00 0.21 0.00 0.00 52.86 52.45 3hbr s ASN 48 Cb -0.14 -2.43 0.19 0.00 -0.55 0.00 0.00 41.25 38.32 3hbr s ASN 48 CO -0.03 -1.26 1.90 -0.08 -2.79 0.00 0.00 177.10 174.84 3hbr h GLU 49 N 9.36 1.09 -0.42 0.43 4.57 -1.65 -0.08 114.58 127.88 3hbr h GLU 49 Ca -0.27 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3hbr h GLU 49 Cb 1.07 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 3hbr h GLU 49 CO 1.10 0.72 0.21 -0.91 -1.18 0.00 0.00 179.01 178.96 3hbr h ASN 50 N 1.12 0.55 -0.69 1.04 4.21 -1.93 -3.21 115.58 116.67 3hbr h ASN 50 Ca 0.31 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3hbr h ASN 50 Cb -0.13 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 36.93 3hbr h ASN 50 CO -0.07 0.51 0.00 0.29 -1.29 0.00 0.00 177.43 176.87 3hbr n LYS 51 N -4.69 2.72 -3.99 0.81 4.01 -1.19 -5.00 118.16 110.83 3hbr n LYS 51 Ca 0.01 -2.60 -0.42 0.00 -0.51 0.00 0.00 58.31 54.79 3hbr n LYS 51 Cb 0.10 -1.55 0.02 0.00 -0.51 0.00 0.00 35.03 33.09 3hbr n LYS 51 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3hbr n GLN 52 N 1.57 -0.63 -3.92 1.97 -0.06 -0.06 -4.97 117.38 111.28 3hbr n GLN 52 Ca 0.23 0.18 -0.15 0.00 -2.00 0.00 0.00 57.00 55.26 3hbr n GLN 52 Cb 0.61 -3.04 -0.15 0.00 -4.06 0.00 0.00 30.24 23.59 3hbr n GLN 52 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3hbr s GLN 53 N -7.06 0.18 0.17 3.69 -0.21 -1.10 -5.00 119.66 110.33 3hbr s GLN 53 Ca 0.44 0.04 0.06 0.00 0.02 0.00 0.00 55.36 55.92 3hbr s GLN 53 Cb -0.22 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.44 3hbr s GLN 53 CO 0.95 -0.08 0.11 0.20 -2.12 0.00 0.00 175.29 174.35 3hbr s GLY 54 N 0.64 1.71 -0.02 3.09 0.00 -1.26 -0.83 107.32 110.65 3hbr s GLY 54 Ca -0.06 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 3hbr s GLY 54 CO -0.01 -1.27 0.03 -1.36 0.00 0.00 0.00 173.10 170.49 3hbr s PHE 55 N -1.76 -0.01 0.08 1.90 0.40 0.58 -1.79 117.98 117.39 3hbr s PHE 55 Ca 0.30 0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.65 3hbr s PHE 55 Cb -0.10 -0.13 0.01 0.00 0.51 0.00 0.00 43.02 43.31 3hbr s PHE 55 CO 0.22 -0.06 0.24 -0.08 0.70 0.00 0.00 175.22 176.24 3hbr s THR 56 N 0.65 0.12 -0.19 0.64 -1.32 -0.50 -0.29 115.64 114.76 3hbr s THR 56 Ca -0.05 -0.99 0.16 0.00 -1.21 0.00 0.00 61.69 59.59 3hbr s THR 56 Cb -0.08 -1.21 0.09 0.00 -1.51 0.00 0.00 72.50 69.80 3hbr s THR 56 CO -0.02 -0.55 1.46 -0.55 -2.21 0.00 0.00 174.62 172.75 3hbr h ASN 57 N 2.84 0.00 -2.18 8.08 -1.07 -1.73 0.55 115.58 122.08 3hbr h ASN 57 Ca -0.33 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.66 3hbr h ASN 57 Cb 1.21 0.00 -0.34 0.00 -2.07 0.00 0.00 38.32 37.12 3hbr h ASN 57 CO 0.53 0.44 -0.68 0.21 0.07 0.00 0.00 177.43 178.00 3hbr s ASN 58 N -6.43 1.78 0.33 6.14 3.04 -1.26 -4.20 114.94 114.34 3hbr s ASN 58 Ca 0.04 -1.15 0.05 0.00 0.04 0.00 0.00 52.86 51.85 3hbr s ASN 58 Cb 0.07 0.38 0.70 0.00 -1.54 0.00 0.00 41.25 40.86 3hbr s ASN 58 CO 0.74 -0.35 1.87 -0.07 -3.04 0.00 0.00 177.10 176.25 3hbr h LEU 59 N 7.83 0.77 0.20 3.21 3.38 -1.96 0.65 115.31 129.41 3hbr h LEU 59 Ca -0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hbr h LEU 59 Cb 1.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hbr h LEU 59 CO 0.30 0.42 -0.10 0.50 0.09 0.00 0.00 178.44 179.65 3hbr h LYS 60 N 0.83 -0.26 -0.12 1.13 3.64 -1.97 -3.19 116.57 116.63 3hbr h LYS 60 Ca 0.45 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 3hbr h LYS 60 Cb 0.56 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3hbr h LYS 60 CO -0.21 0.14 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.00 3hbr h ARG 61 N -0.82 0.17 -0.31 1.90 2.43 -1.91 -0.10 114.38 115.74 3hbr h ARG 61 Ca -0.03 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3hbr h ARG 61 Cb 0.52 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3hbr h ARG 61 CO 0.05 0.20 0.28 0.00 -1.51 0.00 0.00 179.97 178.99 3hbr h ALA 62 N 1.82 2.07 -0.29 2.80 0.00 -0.88 -1.89 119.26 122.89 3hbr h ALA 62 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hbr h ALA 62 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hbr h ALA 62 CO 0.00 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 178.90 3hbr n ASN 63 N -3.99 3.20 -4.73 0.00 4.13 -0.09 -1.73 115.26 112.04 3hbr n ASN 63 Ca 0.05 -2.38 -0.40 0.00 1.68 0.00 0.00 54.58 53.52 3hbr n ASN 63 Cb 0.44 -0.33 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 3hbr n ASN 63 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3hbr s GLN 64 N -1.68 4.56 -0.12 3.52 0.74 -0.71 -4.86 119.66 121.10 3hbr s GLN 64 Ca 0.29 1.21 -0.16 0.00 0.05 0.00 0.00 55.36 56.75 3hbr s GLN 64 Cb 0.20 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.88 3hbr s GLN 64 CO 0.12 0.22 0.38 0.00 -0.55 0.00 0.00 175.29 175.46 3hbr s ALA 65 N 0.12 3.56 0.39 1.58 0.00 -1.26 -4.01 121.76 122.14 3hbr s ALA 65 Ca 0.42 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3hbr s ALA 65 Cb -0.21 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 3hbr s ALA 65 CO 0.25 0.11 0.04 -0.06 0.00 0.00 0.00 175.76 176.10 3hbr s PHE 66 N 0.33 2.10 0.37 0.00 0.40 -0.38 -4.72 117.98 116.08 3hbr s PHE 66 Ca 0.21 -0.91 -0.27 0.00 -0.60 0.00 0.00 56.93 55.36 3hbr s PHE 66 Cb -0.14 -1.48 -0.10 0.00 0.51 0.00 0.00 43.02 41.81 3hbr s PHE 66 CO 0.08 0.14 1.33 -0.51 0.70 0.00 0.00 175.22 176.96 3hbr s LEU 67 N -3.64 4.31 0.41 -0.37 1.43 -1.26 -0.64 118.68 118.92 3hbr s LEU 67 Ca 0.29 2.72 0.23 0.00 -1.03 0.00 0.00 54.13 56.34 3hbr s LEU 67 Cb 0.07 -3.77 0.68 0.00 0.03 0.00 0.00 46.19 43.20 3hbr s LEU 67 CO 0.14 -0.73 1.72 1.55 0.23 0.00 0.00 176.35 179.26 3hbr h PRO 68 N 2.99 0.00 0.00 1.29 0.13 -1.74 -3.46 132.00 131.21 3hbr h PRO 68 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hbr h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3hbr h PRO 68 CO 0.64 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 3hbr n ALA 69 N -2.19 0.00 0.33 -0.56 0.00 -0.76 -2.01 120.51 115.31 3hbr n ALA 69 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.66 3hbr n ALA 69 Cb 0.50 0.00 1.10 0.00 0.00 0.00 0.00 19.45 21.05 3hbr n ALA 69 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hbr h SER 70 N 7.64 0.00 -0.17 0.00 0.02 -1.84 -1.13 113.55 118.06 3hbr h SER 70 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3hbr h SER 70 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hbr h SER 70 CO 0.00 0.00 0.18 0.71 -1.14 0.00 0.00 176.83 176.58 3hbr h THR 71 N 0.00 0.52 0.00 -2.27 1.35 -1.29 -3.39 112.91 107.83 3hbr h THR 71 Ca 0.01 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.61 3hbr h THR 71 Cb 0.15 0.86 0.02 0.00 -1.73 0.00 0.00 68.15 67.46 3hbr h THR 71 CO -0.00 0.00 1.78 0.33 -0.25 0.00 0.00 175.52 177.37 3hbr n PHE 72 N -3.88 0.69 0.00 4.73 7.35 -0.43 -4.40 117.46 121.52 3hbr n PHE 72 Ca 0.01 -1.18 0.00 0.00 -0.76 0.00 0.00 57.45 55.52 3hbr n PHE 72 Cb 0.30 -1.13 0.00 0.00 0.35 0.00 0.00 39.48 39.00 3hbr n PHE 72 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hbr n ILE 74 N 4.94 0.00 0.18 -2.13 5.41 -1.26 -0.31 119.36 126.18 3hbr n ILE 74 Ca 0.26 0.00 0.05 0.00 1.00 0.00 0.00 62.75 64.06 3hbr n ILE 74 Cb 0.12 0.00 0.51 0.00 -0.71 0.00 0.00 39.64 39.56 3hbr n ILE 74 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hbr h PRO 75 N 0.00 0.14 -0.21 0.38 0.13 -1.97 -2.65 132.00 127.81 3hbr h PRO 75 Ca 0.00 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 3hbr h PRO 75 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 3hbr h PRO 75 CO 0.00 0.19 -0.21 -0.97 -0.23 0.00 0.00 178.00 176.77 3hbr h ASN 76 N 0.14 0.38 -0.26 1.44 -0.00 -1.02 -2.76 115.58 113.50 3hbr h ASN 76 Ca 0.03 -0.11 -0.13 0.00 -0.00 0.00 0.00 56.30 56.09 3hbr h ASN 76 Cb 0.15 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.37 3hbr h ASN 76 CO 0.01 0.61 -0.35 0.28 -0.00 0.00 0.00 177.43 177.97 3hbr h SER 77 N 0.35 0.77 -0.55 1.15 0.02 -1.73 -1.93 113.55 111.63 3hbr h SER 77 Ca 0.06 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 3hbr h SER 77 Cb 0.58 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3hbr h SER 77 CO 0.04 1.12 0.36 -0.07 -1.14 0.00 0.00 176.83 177.14 3hbr h LEU 78 N 0.43 0.63 -0.13 5.07 3.38 -1.42 0.21 115.31 123.48 3hbr h LEU 78 Ca 0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hbr h LEU 78 Cb 0.94 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hbr h LEU 78 CO 0.08 0.45 -0.11 0.40 0.09 0.00 0.00 178.44 179.36 3hbr h ILE 79 N 0.74 1.34 0.79 1.22 2.04 -1.54 -0.83 117.51 121.27 3hbr h ILE 79 Ca 0.20 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 3hbr h ILE 79 Cb -0.08 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3hbr h ILE 79 CO -0.04 0.36 -0.41 0.00 0.00 0.00 0.00 178.15 178.05 3hbr h ALA 80 N 0.62 -1.28 -0.81 1.87 0.00 -1.16 0.31 119.26 118.81 3hbr h ALA 80 Ca 0.02 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3hbr h ALA 80 Cb 0.61 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3hbr h ALA 80 CO 0.03 -1.21 -0.37 -0.07 0.00 0.00 0.00 179.25 177.63 3hbr h LEU 81 N -1.10 -1.32 -1.19 0.00 3.38 -0.71 -1.40 115.31 112.97 3hbr h LEU 81 Ca -0.11 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hbr h LEU 81 Cb 0.86 0.68 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3hbr h LEU 81 CO 0.16 -0.30 0.14 -0.78 0.09 0.00 0.00 178.44 177.75 3hbr h ASP 82 N -0.08 0.65 -0.07 -0.43 1.82 -0.60 -2.92 116.42 114.79 3hbr h ASP 82 Ca 0.29 -0.10 -0.24 0.00 -0.39 0.00 0.00 57.03 56.60 3hbr h ASP 82 Cb 0.58 -0.17 0.02 0.00 0.68 0.00 0.00 39.33 40.43 3hbr h ASP 82 CO -0.85 0.63 -0.87 -0.07 -1.61 0.00 0.00 179.24 176.46 3hbr h LEU 83 N 0.69 0.89 0.00 2.28 3.38 0.29 -3.47 115.31 119.37 3hbr h LEU 83 Ca 0.16 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3hbr h LEU 83 Cb 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hbr h LEU 83 CO -0.01 1.45 0.00 0.61 0.09 0.00 0.00 178.44 180.58 3hbr n GLY 84 N 0.90 0.65 0.34 0.83 0.00 -0.75 -5.01 105.19 102.15 3hbr n GLY 84 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3hbr n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hbr h VAL 85 N 0.00 1.26 -3.43 1.61 2.07 -1.51 -3.37 116.25 112.88 3hbr h VAL 85 Ca 0.00 -0.76 -0.65 0.00 0.82 0.00 0.00 66.70 66.11 3hbr h VAL 85 Cb 0.00 0.24 -0.25 0.00 -1.52 0.00 0.00 31.29 29.76 3hbr h VAL 85 CO 0.00 0.32 -0.69 -0.69 0.02 0.00 0.00 177.57 176.53 3hbr s VAL 86 N -5.65 3.71 -0.07 2.57 1.01 -1.06 -4.93 120.40 115.98 3hbr s VAL 86 Ca -0.13 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 3hbr s VAL 86 Cb 0.16 -2.68 -0.21 0.00 0.00 0.00 0.00 36.38 33.64 3hbr s VAL 86 CO 0.83 0.43 0.99 0.11 0.00 0.00 0.00 175.10 177.46 3hbr h LYS 87 N 7.72 -0.04 -2.88 2.72 1.57 -1.87 -3.38 116.57 120.42 3hbr h LYS 87 Ca -0.37 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3hbr h LYS 87 Cb 1.17 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hbr h LYS 87 CO 0.60 0.62 0.37 0.16 -0.57 0.00 0.00 179.45 180.64 3hbr s ASP 88 N -5.85 0.03 0.00 0.86 1.47 -1.26 -5.06 116.67 106.86 3hbr s ASP 88 Ca -0.16 -1.07 0.16 0.00 1.18 0.00 0.00 52.55 52.66 3hbr s ASP 88 Cb -0.00 0.76 0.85 0.00 -0.34 0.00 0.00 42.92 44.19 3hbr s ASP 88 CO 0.63 -1.53 1.44 -1.84 0.68 0.00 0.00 175.17 174.56 3hbr n GLU 89 N -0.60 0.31 -0.01 2.11 0.00 -1.26 -2.94 120.64 118.26 3hbr n GLU 89 Ca -0.07 0.10 0.10 0.00 0.00 0.00 0.00 57.16 57.28 3hbr n GLU 89 Cb 0.60 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.40 3hbr n GLU 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hbr n HIS 90 N -1.21 0.00 -1.52 -1.84 8.25 -1.26 -3.79 115.22 113.86 3hbr n HIS 90 Ca 0.09 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 57.01 3hbr n HIS 90 Cb 0.11 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 3hbr n HIS 90 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3hbr n GLN 91 N -2.00 0.42 -2.77 -0.41 7.27 -1.15 -4.79 117.38 113.96 3hbr n GLN 91 Ca -0.02 0.15 -0.41 0.00 0.07 0.00 0.00 57.00 56.79 3hbr n GLN 91 Cb 0.46 -1.61 -0.04 0.00 2.41 0.00 0.00 30.24 31.45 3hbr n GLN 91 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hbr s VAL 92 N -0.08 4.65 -0.44 1.69 0.11 -1.26 -3.74 120.40 121.32 3hbr s VAL 92 Ca 0.83 1.99 -0.03 0.00 -2.93 0.00 0.00 61.98 61.84 3hbr s VAL 92 Cb -1.09 -4.29 0.12 0.00 -1.53 0.00 0.00 36.38 29.59 3hbr s VAL 92 CO 0.54 0.28 0.25 -0.36 -3.33 0.00 0.00 175.10 172.47 3hbr s PHE 93 N 0.29 3.56 0.56 1.54 0.40 0.16 -4.96 117.98 119.52 3hbr s PHE 93 Ca 0.47 -2.44 -0.21 0.00 -0.60 0.00 0.00 56.93 54.16 3hbr s PHE 93 Cb -0.22 -3.24 -0.05 0.00 0.51 0.00 0.00 43.02 40.02 3hbr s PHE 93 CO 0.28 -0.96 1.21 1.63 0.70 0.00 0.00 175.22 178.08 3hbr n LYS 94 N 4.45 1.38 -2.14 0.44 5.02 -1.26 -3.34 118.16 122.70 3hbr n LYS 94 Ca -0.01 0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 56.44 3hbr n LYS 94 Cb 0.41 -2.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.03 3hbr n LYS 94 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3hbr s TRP 95 N -1.36 2.56 -1.21 2.13 -0.00 -1.25 -4.92 118.94 114.89 3hbr s TRP 95 Ca 0.73 1.53 0.21 0.00 -0.00 0.00 0.00 56.10 58.57 3hbr s TRP 95 Cb -0.43 -3.40 -0.18 0.00 -0.00 0.00 0.00 33.47 29.46 3hbr s TRP 95 CO 0.48 -1.89 0.94 -0.40 -0.00 0.00 0.00 176.95 176.09 3hbr n ASP 96 N -1.34 1.21 -0.94 5.86 5.68 -1.26 -5.01 116.55 120.76 3hbr n ASP 96 Ca 0.12 -1.11 -0.03 0.00 -0.50 0.00 0.00 54.79 53.28 3hbr n ASP 96 Cb 0.50 0.89 0.01 0.00 -1.14 0.00 0.00 41.12 41.38 3hbr n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbr n GLY 97 N 1.48 0.71 0.00 6.12 0.00 -1.26 -5.21 105.19 107.03 3hbr n GLY 97 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3hbr n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hbr n GLN 98 N -1.09 0.00 -2.43 1.61 7.27 -1.26 -5.21 117.38 116.28 3hbr n GLN 98 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3hbr n GLN 98 Cb 0.51 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.17 3hbr n GLN 98 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hbr n ARG 100 N 0.00 0.31 0.17 3.69 1.74 -1.26 -5.00 116.66 116.31 3hbr n ARG 100 Ca 0.00 -0.67 0.12 0.00 -0.77 0.00 0.00 57.85 56.52 3hbr n ARG 100 Cb 0.00 0.90 0.12 0.00 -1.02 0.00 0.00 32.46 32.46 3hbr n ARG 100 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hbr h ASP 101 N 0.84 0.00 -3.66 0.55 3.32 -2.05 -3.38 116.42 112.04 3hbr h ASP 101 Ca -0.12 -0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.23 3hbr h ASP 101 Cb 0.51 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.78 3hbr h ASP 101 CO 0.16 0.00 -0.59 -0.63 -1.72 0.00 0.00 179.24 176.46 3hbr s ILE 102 N -3.26 3.89 0.45 0.35 1.01 -1.26 -4.96 121.20 117.42 3hbr s ILE 102 Ca 0.04 -1.10 0.24 0.00 0.00 0.00 0.00 60.65 59.84 3hbr s ILE 102 Cb 0.07 -3.20 0.44 0.00 0.01 0.00 0.00 42.46 39.78 3hbr s ILE 102 CO 0.71 -0.19 1.80 0.00 0.00 0.00 0.00 174.94 177.26 3hbr h ALA 103 N 8.25 2.51 -1.11 9.38 0.00 -1.99 -0.68 119.26 135.63 3hbr h ALA 103 Ca -0.23 0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.07 3hbr h ALA 103 Cb 1.08 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3hbr h ALA 103 CO 0.61 -0.88 0.67 1.15 0.00 0.00 0.00 179.25 180.80 3hbr h THR 104 N 0.26 0.22 -0.28 0.00 2.02 -1.94 0.80 112.91 113.99 3hbr h THR 104 Ca 0.56 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.67 3hbr h THR 104 Cb 1.70 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3hbr h THR 104 CO -0.19 0.04 0.00 0.79 0.37 0.00 0.00 175.52 176.53 3hbr n TRP 105 N -4.93 0.37 -1.67 3.16 8.01 -0.26 -4.44 117.44 117.69 3hbr n TRP 105 Ca 0.34 -0.18 -0.31 0.00 -1.31 0.00 0.00 57.50 56.03 3hbr n TRP 105 Cb 1.17 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 30.43 3hbr n TRP 105 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3hbr n ASN 106 N 0.61 7.01 -3.65 -0.99 5.03 0.28 -4.91 115.26 118.64 3hbr n ASN 106 Ca 0.16 -3.18 -0.10 0.00 0.87 0.00 0.00 54.58 52.34 3hbr n ASN 106 Cb 0.37 -1.28 -0.02 0.00 -1.02 0.00 0.00 39.78 37.83 3hbr n ASN 106 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hbr s ARG 107 N -1.49 1.51 0.46 3.52 0.52 -1.26 -5.06 118.95 117.15 3hbr s ARG 107 Ca 0.57 -0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 54.82 3hbr s ARG 107 Cb 0.31 0.59 -0.08 0.00 0.52 0.00 0.00 34.95 36.29 3hbr s ARG 107 CO -0.17 -0.68 1.05 -0.51 0.02 0.00 0.00 175.30 175.01 3hbr s ASP 108 N -2.84 6.42 -0.01 0.23 1.01 -1.26 -3.86 116.67 116.35 3hbr s ASP 108 Ca 0.06 2.00 -0.14 0.00 0.71 0.00 0.00 52.55 55.18 3hbr s ASP 108 Cb -0.03 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.35 3hbr s ASP 108 CO -0.03 -0.73 0.29 -1.00 0.21 0.00 0.00 175.17 173.91 3hbr s HIS 109 N -1.85 -0.16 0.42 4.23 3.76 -1.21 -4.97 115.29 115.50 3hbr s HIS 109 Ca 0.65 0.23 0.08 0.00 -0.15 0.00 0.00 55.06 55.86 3hbr s HIS 109 Cb -0.19 0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 3hbr s HIS 109 CO 0.23 -0.38 0.33 0.54 -0.85 0.00 0.00 174.74 174.61 3hbr s ASN 110 N -1.33 4.89 0.31 1.40 6.03 -1.25 0.37 114.94 125.37 3hbr s ASN 110 Ca -0.14 -0.83 0.08 0.00 -1.03 0.00 0.00 52.86 50.95 3hbr s ASN 110 Cb -0.05 -0.54 0.86 0.00 -3.03 0.00 0.00 41.25 38.49 3hbr s ASN 110 CO 0.04 -0.63 1.72 0.25 -2.03 0.00 0.00 177.10 176.45 3hbr h LEU 111 N 1.12 0.61 -0.21 3.54 5.85 -1.73 0.17 115.31 124.65 3hbr h LEU 111 Ca -0.42 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3hbr h LEU 111 Cb 1.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 3hbr h LEU 111 CO 0.60 0.08 0.09 0.40 -0.34 0.00 0.00 178.44 179.27 3hbr h ILE 112 N 0.54 1.16 0.00 4.05 1.08 -1.93 -1.09 117.51 121.31 3hbr h ILE 112 Ca 0.63 -0.48 -0.19 0.00 -0.39 0.00 0.00 64.86 64.43 3hbr h ILE 112 Cb 1.20 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3hbr h ILE 112 CO -0.49 0.16 -1.01 0.71 -0.69 0.00 0.00 178.15 176.83 3hbr h THR 113 N 0.19 1.22 -0.55 -0.27 1.35 -1.77 -1.71 112.91 111.37 3hbr h THR 113 Ca 0.07 -2.83 -0.10 0.00 -0.55 0.00 0.00 66.41 63.00 3hbr h THR 113 Cb 0.17 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 3hbr h THR 113 CO -0.01 0.70 -0.03 0.00 -0.25 0.00 0.00 175.52 175.93 3hbr h ALA 114 N 1.19 0.75 -0.06 6.62 0.00 -0.58 0.10 119.26 127.28 3hbr h ALA 114 Ca -0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3hbr h ALA 114 Cb 1.68 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3hbr h ALA 114 CO 0.10 0.60 -0.34 1.98 0.00 0.00 0.00 179.25 181.58 3hbr h MET 115 N 0.87 0.33 -0.85 0.00 -1.53 -1.25 0.38 114.93 112.88 3hbr h MET 115 Ca 0.15 -0.28 0.12 0.00 -3.44 0.00 0.00 59.70 56.25 3hbr h MET 115 Cb 0.58 0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.63 3hbr h MET 115 CO 0.03 0.93 0.55 -0.22 0.14 0.00 0.00 176.91 178.35 3hbr h LYS 116 N -0.18 0.71 -0.02 0.39 3.64 -1.20 -2.15 116.57 117.75 3hbr h LYS 116 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hbr h LYS 116 Cb 1.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hbr h LYS 116 CO 0.07 0.47 -0.06 0.66 -2.27 0.00 0.00 179.45 178.32 3hbr n TYR 117 N -4.53 0.00 -3.17 1.91 4.01 0.01 -4.97 117.16 110.42 3hbr n TYR 117 Ca 0.15 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 3hbr n TYR 117 Cb 0.39 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.49 3hbr n TYR 117 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hbr n SER 118 N 0.82 -2.61 -4.55 7.72 2.88 -0.81 -4.88 113.62 112.18 3hbr n SER 118 Ca 0.15 -0.53 -0.42 0.00 -1.33 0.00 0.00 58.87 56.73 3hbr n SER 118 Cb 0.51 -4.42 -0.02 0.00 -0.75 0.00 0.00 64.21 59.53 3hbr n SER 118 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hbr s VAL 119 N -3.31 4.09 0.17 2.46 1.01 0.13 -4.82 120.40 120.12 3hbr s VAL 119 Ca 0.06 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 3hbr s VAL 119 Cb -0.01 -5.07 0.06 0.00 0.00 0.00 0.00 36.38 31.36 3hbr s VAL 119 CO 0.62 -1.92 1.73 0.58 0.00 0.00 0.00 175.10 176.11 3hbr h VAL 120 N 6.29 0.79 -0.98 2.92 2.07 -1.90 -2.42 116.25 123.03 3hbr h VAL 120 Ca 0.27 -0.08 0.29 0.00 0.82 0.00 0.00 66.70 68.00 3hbr h VAL 120 Cb 0.97 0.55 -0.18 0.00 -1.52 0.00 0.00 31.29 31.11 3hbr h VAL 120 CO 1.40 0.04 0.13 -0.65 0.02 0.00 0.00 177.57 178.52 3hbr h PRO 121 N 0.22 0.03 -0.07 1.57 0.11 -1.94 -1.42 132.00 130.49 3hbr h PRO 121 Ca 0.20 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.11 3hbr h PRO 121 Cb 0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3hbr h PRO 121 CO -0.25 0.02 -0.77 0.28 -0.21 0.00 0.00 178.00 177.06 3hbr h VAL 122 N 0.03 1.38 0.00 3.15 2.07 -1.85 -3.15 116.25 117.88 3hbr h VAL 122 Ca 0.63 -2.19 -0.15 0.00 0.82 0.00 0.00 66.70 65.82 3hbr h VAL 122 Cb 1.38 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 3hbr h VAL 122 CO -0.87 0.66 -0.70 1.88 0.02 0.00 0.00 177.57 178.56 3hbr h TYR 123 N 0.29 0.00 -0.56 1.57 -1.99 -1.11 -2.19 116.97 112.98 3hbr h TYR 123 Ca -0.04 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.60 3hbr h TYR 123 Cb 1.36 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.07 3hbr h TYR 123 CO 0.05 0.70 -0.00 1.96 -0.00 0.00 0.00 178.16 180.87 3hbr h GLN 124 N 0.00 0.99 -0.87 4.88 4.20 -1.54 0.22 115.11 123.00 3hbr h GLN 124 Ca -0.01 -0.32 0.09 0.00 0.06 0.00 0.00 58.65 58.48 3hbr h GLN 124 Cb 1.27 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.89 3hbr h GLN 124 CO 0.09 0.99 0.51 1.49 -0.67 0.00 0.00 178.83 181.25 3hbr h GLU 125 N 0.88 0.84 -0.11 1.46 4.57 -1.47 1.12 114.58 121.87 3hbr h GLU 125 Ca 0.16 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3hbr h GLU 125 Cb 0.55 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3hbr h GLU 125 CO 0.03 0.56 0.05 0.74 -1.18 0.00 0.00 179.01 179.21 3hbr h PHE 126 N 0.87 0.17 -0.20 0.92 0.04 -1.02 -2.59 116.94 115.12 3hbr h PHE 126 Ca 0.41 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.17 3hbr h PHE 126 Cb 0.34 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3hbr h PHE 126 CO -0.04 0.24 0.11 0.00 -0.60 0.00 0.00 178.31 178.01 3hbr h ALA 127 N 0.91 0.25 -0.68 2.45 0.00 0.20 0.87 119.26 123.26 3hbr h ALA 127 Ca 0.04 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.05 3hbr h ALA 127 Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3hbr h ALA 127 CO -0.00 -0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.51 3hbr h ARG 128 N 0.21 0.19 0.08 0.00 3.08 0.12 0.30 114.38 118.36 3hbr h ARG 128 Ca 0.07 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.81 3hbr h ARG 128 Cb 0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hbr h ARG 128 CO -0.01 0.13 -1.59 1.96 -1.07 0.00 0.00 179.97 179.38 3hbr h GLN 129 N 0.20 0.17 -0.44 0.04 4.20 -0.81 -3.30 115.11 115.17 3hbr h GLN 129 Ca 0.33 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3hbr h GLN 129 Cb 1.02 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3hbr h GLN 129 CO -0.06 0.97 -0.09 0.82 -0.67 0.00 0.00 178.83 179.80 3hbr h ILE 130 N 0.05 1.25 -0.64 2.54 2.04 0.12 -3.50 117.51 119.37 3hbr h ILE 130 Ca -0.26 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.53 3hbr h ILE 130 Cb 2.00 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 3hbr h ILE 130 CO 0.13 0.39 -0.17 0.61 0.00 0.00 0.00 178.15 179.11 3hbr n GLY 131 N -0.47 -2.04 0.08 5.37 0.00 0.10 -4.28 105.19 103.95 3hbr n GLY 131 Ca 0.02 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3hbr n GLY 131 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hbr h GLU 132 N -0.26 0.14 -0.52 1.61 5.08 -1.92 -2.92 114.58 115.78 3hbr h GLU 132 Ca -0.02 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3hbr h GLU 132 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3hbr h GLU 132 CO 0.01 0.57 -0.10 0.00 -1.00 0.00 0.00 179.01 178.49 3hbr h ALA 133 N 0.56 0.83 -0.12 3.43 0.00 -2.00 -1.61 119.26 120.36 3hbr h ALA 133 Ca 0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3hbr h ALA 133 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hbr h ALA 133 CO 0.01 0.66 -0.41 0.00 0.00 0.00 0.00 179.25 179.51 3hbr h ARG 134 N 0.86 0.49 -0.09 0.00 3.08 -1.75 -2.73 114.38 114.25 3hbr h ARG 134 Ca 0.14 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.86 3hbr h ARG 134 Cb 0.65 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3hbr h ARG 134 CO 0.04 0.99 -0.24 1.98 -1.07 0.00 0.00 179.97 181.67 3hbr h MET 135 N 0.09 -0.32 -0.60 0.04 4.05 -1.47 -1.85 114.93 114.87 3hbr h MET 135 Ca -0.02 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3hbr h MET 135 Cb 1.04 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 3hbr h MET 135 CO 0.09 -0.21 0.31 1.03 0.23 0.00 0.00 176.91 178.36 3hbr h SER 136 N -0.33 0.74 -0.36 1.39 0.87 -1.33 -1.44 113.55 113.09 3hbr h SER 136 Ca 0.09 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3hbr h SER 136 Cb 0.46 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3hbr h SER 136 CO -0.28 0.60 0.03 0.11 -0.53 0.00 0.00 176.83 176.76 3hbr h LYS 137 N 0.83 0.71 0.00 2.24 1.79 -1.34 -2.86 116.57 117.94 3hbr h LYS 137 Ca 0.21 -0.17 -0.20 0.00 -2.18 0.00 0.00 60.65 58.32 3hbr h LYS 137 Cb 0.04 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3hbr h LYS 137 CO -0.03 0.70 -0.94 0.52 -1.08 0.00 0.00 179.45 178.62 3hbr h MET 138 N 0.67 0.00 -0.33 3.15 2.86 -0.44 -2.20 114.93 118.64 3hbr h MET 138 Ca 0.14 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 3hbr h MET 138 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3hbr h MET 138 CO 0.01 0.94 -0.33 -0.07 1.06 0.00 0.00 176.91 178.52 3hbr h LEU 139 N 0.00 0.76 -0.03 1.22 3.38 -1.35 0.15 115.31 119.43 3hbr h LEU 139 Ca -0.01 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3hbr h LEU 139 Cb 1.71 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 3hbr h LEU 139 CO 0.12 1.03 0.01 -0.74 0.09 0.00 0.00 178.44 178.95 3hbr h HIS 140 N 0.61 0.05 -0.44 1.13 2.76 -1.45 0.23 115.15 118.04 3hbr h HIS 140 Ca 0.06 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3hbr h HIS 140 Cb 0.86 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 3hbr h HIS 140 CO 0.04 0.17 0.13 0.00 -1.30 0.00 0.00 177.93 176.98 3hbr h ALA 141 N 0.87 0.51 0.00 5.26 0.00 -1.32 -0.21 119.26 124.37 3hbr h ALA 141 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hbr h ALA 141 Cb 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hbr h ALA 141 CO -0.00 -0.26 -0.03 0.74 0.00 0.00 0.00 179.25 179.70 3hbr h PHE 142 N 0.29 0.00 -5.00 0.00 0.05 -0.83 -3.45 116.94 107.99 3hbr h PHE 142 Ca 0.21 0.00 -0.37 0.00 3.82 0.00 0.00 57.97 61.63 3hbr h PHE 142 Cb 0.22 0.00 0.10 0.00 2.00 0.00 0.00 35.95 38.28 3hbr h PHE 142 CO -0.17 0.03 -0.60 -3.47 -0.18 0.00 0.00 178.31 173.91 3hbr n ASP 143 N -3.16 -5.97 -4.58 2.17 2.03 -0.00 -4.92 116.55 102.12 3hbr n ASP 143 Ca -0.00 -0.41 -0.43 0.00 0.52 0.00 0.00 54.79 54.47 3hbr n ASP 143 Cb 0.27 -4.67 -0.04 0.00 -0.72 0.00 0.00 41.12 35.96 3hbr n ASP 143 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3hbr s TYR 144 N -3.24 2.99 0.00 -0.67 6.14 -0.75 -4.92 117.35 116.91 3hbr s TYR 144 Ca 0.45 0.54 0.00 0.00 0.64 0.00 0.00 57.07 58.70 3hbr s TYR 144 Cb -0.20 -3.81 0.00 0.00 0.42 0.00 0.00 41.96 38.37 3hbr s TYR 144 CO 0.56 -0.97 0.00 0.41 0.64 0.00 0.00 175.55 176.18 3hbr n GLY 145 N 4.70 2.40 0.12 8.97 0.00 -1.26 -0.77 105.19 119.35 3hbr n GLY 145 Ca 0.06 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3hbr n GLY 145 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hbr n ASN 146 N 0.52 0.37 -2.98 1.61 2.04 0.00 -4.92 115.26 111.91 3hbr n ASN 146 Ca 0.00 -1.26 -0.20 0.00 -0.44 0.00 0.00 54.58 52.68 3hbr n ASN 146 Cb 0.00 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 3hbr n ASN 146 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3hbr n GLU 147 N -0.64 -3.30 -4.03 -3.83 1.02 0.05 -4.96 120.64 104.94 3hbr n GLU 147 Ca 0.20 0.62 -0.33 0.00 -0.02 0.00 0.00 57.16 57.63 3hbr n GLU 147 Cb 0.15 -5.33 -0.15 0.00 -0.02 0.00 0.00 31.44 26.10 3hbr n GLU 147 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hbr s ASP 148 N -2.48 4.15 -0.34 1.62 3.68 -1.26 -4.84 116.67 117.20 3hbr s ASP 148 Ca 0.24 -1.06 0.09 0.00 2.13 0.00 0.00 52.55 53.96 3hbr s ASP 148 Cb -0.12 -1.58 0.75 0.00 -1.45 0.00 0.00 42.92 40.52 3hbr s ASP 148 CO 0.30 -0.13 1.83 2.30 0.13 0.00 0.00 175.17 179.59 3hbr n ILE 149 N 4.56 2.97 -1.71 4.11 -5.35 -1.26 -0.89 119.36 121.79 3hbr n ILE 149 Ca -0.16 -1.64 -0.41 0.00 -0.27 0.00 0.00 62.75 60.27 3hbr n ILE 149 Cb 0.45 -0.37 0.01 0.00 -1.74 0.00 0.00 39.64 37.99 3hbr n ILE 149 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hbr n SER 150 N -0.19 2.77 0.00 7.28 3.41 -1.26 -4.64 113.62 120.98 3hbr n SER 150 Ca 0.43 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 60.17 3hbr n SER 150 Cb 1.42 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3hbr n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbr n GLY 151 N 0.75 -0.78 3.69 5.00 0.00 -1.26 0.03 105.19 112.61 3hbr n GLY 151 Ca 0.06 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 3hbr n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbr n ASN 152 N 0.00 4.00 0.17 1.61 3.02 -1.26 -4.85 115.26 117.94 3hbr n ASN 152 Ca 0.00 0.98 0.17 0.00 -0.03 0.00 0.00 54.58 55.71 3hbr n ASN 152 Cb 0.00 -1.53 0.79 0.00 -0.61 0.00 0.00 39.78 38.43 3hbr n ASN 152 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3hbr h VAL 153 N 4.74 0.52 -0.69 2.41 3.04 -1.94 0.93 116.25 125.26 3hbr h VAL 153 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3hbr h VAL 153 Cb 1.23 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3hbr h VAL 153 CO 0.95 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.61 3hbr n ASP 154 N -3.90 3.96 0.00 3.17 5.75 -1.26 -4.45 116.55 119.81 3hbr n ASP 154 Ca 0.03 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3hbr n ASP 154 Cb 0.39 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3hbr n ASP 154 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hbr n SER 155 N 1.48 0.07 0.27 -1.12 3.41 -0.02 -4.68 113.62 113.03 3hbr n SER 155 Ca 0.24 -0.53 0.11 0.00 -0.26 0.00 0.00 58.87 58.42 3hbr n SER 155 Cb 0.63 0.07 0.73 0.00 -0.26 0.00 0.00 64.21 65.39 3hbr n SER 155 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3hbr h PHE 156 N 0.00 0.00 0.00 7.33 -0.00 -1.13 0.23 116.94 123.37 3hbr h PHE 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3hbr h PHE 156 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 3hbr h PHE 156 CO 0.00 0.03 0.00 -2.67 -0.00 0.00 0.00 178.31 175.67 3hbr n TRP 157 N -4.20 0.39 -0.10 6.09 2.14 -1.26 -0.95 117.44 119.55 3hbr n TRP 157 Ca -0.03 0.15 -0.14 0.00 2.07 0.00 0.00 57.50 59.55 3hbr n TRP 157 Cb 0.11 -0.74 -0.09 0.00 -0.81 0.00 0.00 31.31 29.79 3hbr n TRP 157 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3hbr n LEU 158 N -1.85 2.93 -0.42 5.67 7.99 0.75 -1.82 117.00 130.25 3hbr n LEU 158 Ca 0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 3hbr n LEU 158 Cb 0.22 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 42.84 3hbr n LEU 158 CO 0.18 0.82 0.22 -0.90 -1.51 0.00 0.00 177.39 176.21 3hbr n ASP 159 N -3.11 0.00 0.00 -1.43 5.75 -0.84 -4.45 116.55 112.47 3hbr n ASP 159 Ca -0.35 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 3hbr n ASP 159 Cb 0.87 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 3hbr n ASP 159 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hbr n GLY 160 N 0.00 2.13 0.15 6.12 0.00 -0.12 -4.94 105.19 108.53 3hbr n GLY 160 Ca 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.19 3hbr n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbr n GLY 161 N 5.00 -0.80 3.71 -0.02 0.00 0.10 -4.93 105.19 108.26 3hbr n GLY 161 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3hbr n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbr s ILE 162 N -2.31 4.41 -0.01 -0.61 1.10 -0.07 -4.65 121.20 119.06 3hbr s ILE 162 Ca 0.34 1.73 0.01 0.00 -0.51 0.00 0.00 60.65 62.21 3hbr s ILE 162 Cb 0.21 -4.11 0.01 0.00 0.15 0.00 0.00 42.46 38.71 3hbr s ILE 162 CO 0.43 0.13 -0.02 -0.13 -2.11 0.00 0.00 174.94 173.24 3hbr s ARG 163 N 1.08 0.22 -0.13 3.50 1.81 -1.26 -4.15 118.95 120.02 3hbr s ARG 163 Ca 0.56 -0.04 -0.10 0.00 -1.72 0.00 0.00 55.73 54.42 3hbr s ARG 163 Cb -0.26 -0.27 0.04 0.00 -0.45 0.00 0.00 34.95 34.01 3hbr s ARG 163 CO 0.28 0.00 0.33 -1.50 -0.68 0.00 0.00 175.30 173.73 3hbr s ILE 164 N 0.24 -0.01 0.56 1.52 2.07 0.18 -0.82 121.20 124.95 3hbr s ILE 164 Ca -0.02 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3hbr s ILE 164 Cb -0.05 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 42.10 3hbr s ILE 164 CO -0.01 0.01 0.80 -0.94 -1.91 0.00 0.00 174.94 172.90 3hbr s SER 165 N 0.46 5.31 0.23 4.50 1.04 -1.26 -1.25 113.70 122.73 3hbr s SER 165 Ca -0.02 0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 3hbr s SER 165 Cb -0.04 -1.05 0.23 0.00 0.10 0.00 0.00 66.02 65.26 3hbr s SER 165 CO -0.02 -1.14 1.90 0.00 0.98 0.00 0.00 173.24 174.96 3hbr h ALA 166 N 0.01 1.15 -0.14 5.32 0.00 -1.63 -1.56 119.26 122.41 3hbr h ALA 166 Ca -0.43 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 3hbr h ALA 166 Cb 1.29 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hbr h ALA 166 CO 0.55 0.52 -0.35 1.79 0.00 0.00 0.00 179.25 181.76 3hbr h THR 167 N 1.20 1.29 -0.08 0.00 1.35 -1.71 -2.36 112.91 112.60 3hbr h THR 167 Ca 0.34 -1.39 -0.14 0.00 -0.55 0.00 0.00 66.41 64.67 3hbr h THR 167 Cb -0.11 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3hbr h THR 167 CO -0.08 0.42 -0.57 -0.33 -0.25 0.00 0.00 175.52 174.71 3hbr h GLU 168 N 0.25 0.24 -0.45 4.72 5.08 -1.76 -1.20 114.58 121.46 3hbr h GLU 168 Ca 0.03 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3hbr h GLU 168 Cb 0.74 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3hbr h GLU 168 CO 0.06 0.74 -0.13 1.96 -1.00 0.00 0.00 179.01 180.64 3hbr h GLN 169 N 0.18 0.88 -0.61 2.33 1.08 -1.14 -2.13 115.11 115.70 3hbr h GLN 169 Ca -0.00 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 3hbr h GLN 169 Cb 1.05 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 3hbr h GLN 169 CO 0.09 0.99 0.29 0.82 -0.95 0.00 0.00 178.83 180.07 3hbr h ILE 170 N 0.71 1.21 -0.27 2.54 2.04 -1.15 -1.16 117.51 121.43 3hbr h ILE 170 Ca 0.11 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3hbr h ILE 170 Cb 0.67 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hbr h ILE 170 CO 0.05 0.25 0.17 0.28 0.00 0.00 0.00 178.15 178.90 3hbr h SER 171 N 0.83 0.32 -0.39 1.72 0.02 -1.08 -0.90 113.55 114.08 3hbr h SER 171 Ca 0.21 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 3hbr h SER 171 Cb 0.12 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3hbr h SER 171 CO -0.03 0.27 0.18 0.15 -1.14 0.00 0.00 176.83 176.26 3hbr h PHE 172 N 0.35 0.33 -0.48 3.45 3.04 -1.32 -2.74 116.94 119.58 3hbr h PHE 172 Ca 0.10 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3hbr h PHE 172 Cb -0.00 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3hbr h PHE 172 CO -0.05 0.17 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.31 3hbr h LEU 173 N 0.37 0.79 -0.59 0.59 3.38 -0.74 -1.95 115.31 117.16 3hbr h LEU 173 Ca 0.17 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hbr h LEU 173 Cb 0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3hbr h LEU 173 CO -0.13 0.88 0.33 0.03 0.09 0.00 0.00 178.44 179.64 3hbr h ARG 174 N 0.76 0.62 0.09 1.13 3.08 -1.09 0.34 114.38 119.30 3hbr h ARG 174 Ca 0.14 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hbr h ARG 174 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hbr h ARG 174 CO 0.03 0.41 -0.04 0.87 -1.07 0.00 0.00 179.97 180.16 3hbr h LYS 175 N 0.64 -0.11 -0.47 0.04 1.57 -1.15 -2.47 116.57 114.61 3hbr h LYS 175 Ca 0.25 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 3hbr h LYS 175 Cb 0.11 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 3hbr h LYS 175 CO -0.15 -0.00 -0.30 1.25 -0.57 0.00 0.00 179.45 179.69 3hbr h LEU 176 N -0.20 -1.00 -0.63 2.94 5.85 -0.85 0.71 115.31 122.13 3hbr h LEU 176 Ca -0.01 0.20 0.13 0.00 0.84 0.00 0.00 57.88 59.03 3hbr h LEU 176 Cb 0.16 0.50 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 3hbr h LEU 176 CO 0.02 -0.29 0.09 0.22 -0.34 0.00 0.00 178.44 178.14 3hbr h TYR 177 N -0.19 0.13 -0.15 1.25 3.20 -0.31 -2.61 116.97 118.28 3hbr h TYR 177 Ca 0.20 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hbr h TYR 177 Cb 0.52 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3hbr h TYR 177 CO -0.55 -0.09 0.00 0.72 -1.64 0.00 0.00 178.16 176.60 3hbr n HIS 178 N -5.19 0.20 -2.99 -3.82 8.25 -0.93 -4.91 115.22 105.83 3hbr n HIS 178 Ca 0.10 -0.10 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3hbr n HIS 178 Cb 0.36 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.47 3hbr n HIS 178 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hbr n ASN 179 N -0.06 -4.58 -1.07 0.41 3.02 -0.85 -4.91 115.26 107.22 3hbr n ASN 179 Ca 0.06 -0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.52 3hbr n ASN 179 Cb 0.14 -3.78 0.25 0.00 -0.61 0.00 0.00 39.78 35.77 3hbr n ASN 179 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hbr n LYS 180 N -3.56 2.39 -2.00 3.52 5.02 0.18 -4.87 118.16 118.84 3hbr n LYS 180 Ca -0.09 -2.11 -0.32 0.00 -2.02 0.00 0.00 58.31 53.78 3hbr n LYS 180 Cb 0.59 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3hbr n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hbr s LEU 181 N -1.43 3.37 -1.16 -0.35 1.43 -1.26 -4.96 118.68 114.33 3hbr s LEU 181 Ca 0.38 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 3hbr s LEU 181 Cb 0.22 -4.50 0.21 0.00 0.03 0.00 0.00 46.19 42.15 3hbr s LEU 181 CO 0.31 -0.93 2.16 1.41 0.23 0.00 0.00 176.35 179.53 3hbr n HIS 182 N -2.35 2.64 -4.17 0.29 8.25 -1.26 -4.79 115.22 113.83 3hbr n HIS 182 Ca 0.07 -2.67 -0.11 0.00 -0.26 0.00 0.00 57.72 54.74 3hbr n HIS 182 Cb 0.54 -1.54 -0.09 0.00 1.12 0.00 0.00 29.99 30.01 3hbr n HIS 182 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hbr s VAL 183 N -2.61 0.01 0.51 1.59 -7.23 -1.26 -5.03 120.40 106.38 3hbr s VAL 183 Ca 0.48 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 3hbr s VAL 183 Cb 0.20 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 3hbr s VAL 183 CO -0.12 -0.05 1.33 -0.94 -0.31 0.00 0.00 175.10 175.01 3hbr s SER 184 N -3.13 5.58 0.29 4.85 1.04 -1.26 -4.88 113.70 116.19 3hbr s SER 184 Ca 0.35 2.71 -0.00 0.00 0.48 0.00 0.00 55.95 59.49 3hbr s SER 184 Cb 0.06 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.23 3hbr s SER 184 CO 0.11 -1.35 1.59 -0.08 0.98 0.00 0.00 173.24 174.48 3hbr h GLU 185 N 1.77 0.04 -0.36 4.02 4.81 -1.90 -2.14 114.58 120.83 3hbr h GLU 185 Ca -0.51 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 3hbr h GLU 185 Cb 1.28 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.59 3hbr h GLU 185 CO 0.59 0.03 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.73 3hbr h ARG 186 N 0.05 0.02 -0.88 1.92 2.43 -1.99 0.14 114.38 116.06 3hbr h ARG 186 Ca 0.56 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.86 3hbr h ARG 186 Cb 1.11 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.57 3hbr h ARG 186 CO -0.85 0.01 0.49 0.77 -1.51 0.00 0.00 179.97 178.88 3hbr h SER 187 N 0.02 0.65 -0.08 -3.80 0.02 -1.76 0.10 113.55 108.70 3hbr h SER 187 Ca 0.17 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 3hbr h SER 187 Cb 0.26 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.77 3hbr h SER 187 CO -0.36 0.31 -0.56 1.56 -1.14 0.00 0.00 176.83 176.65 3hbr h GLN 188 N 0.74 0.52 -0.63 3.45 4.20 -0.89 -2.15 115.11 120.35 3hbr h GLN 188 Ca 0.46 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hbr h GLN 188 Cb 0.58 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3hbr h GLN 188 CO -0.32 1.08 0.38 0.00 -0.67 0.00 0.00 178.83 179.31 3hbr h ARG 189 N 0.10 0.85 -0.37 1.46 3.08 -0.50 -2.16 114.38 116.84 3hbr h ARG 189 Ca -0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hbr h ARG 189 Cb 1.21 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3hbr h ARG 189 CO 0.11 0.60 0.19 0.82 -1.07 0.00 0.00 179.97 180.62 3hbr h ILE 190 N 0.85 1.16 -0.26 2.04 2.04 -0.94 -0.73 117.51 121.66 3hbr h ILE 190 Ca 0.23 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3hbr h ILE 190 Cb -0.03 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3hbr h ILE 190 CO -0.04 0.17 0.14 0.58 0.00 0.00 0.00 178.15 178.99 3hbr h VAL 191 N 0.47 1.12 -0.80 1.67 2.07 -1.37 0.70 116.25 120.11 3hbr h VAL 191 Ca 0.13 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3hbr h VAL 191 Cb 0.09 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3hbr h VAL 191 CO -0.02 0.12 0.43 0.11 0.02 0.00 0.00 177.57 178.23 3hbr h LYS 192 N 0.30 1.11 -0.65 1.57 1.57 -1.30 -0.29 116.57 118.88 3hbr h LYS 192 Ca 0.09 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3hbr h LYS 192 Cb 0.06 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 3hbr h LYS 192 CO -0.01 0.81 0.35 0.37 -0.57 0.00 0.00 179.45 180.40 3hbr h GLN 193 N 1.11 0.62 -0.06 3.15 4.15 -0.83 -2.53 115.11 120.73 3hbr h GLN 193 Ca 0.28 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3hbr h GLN 193 Cb 0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3hbr h GLN 193 CO -0.05 0.41 -0.07 0.00 -1.93 0.00 0.00 178.83 177.19 3hbr h ALA 194 N 1.36 1.78 0.00 3.38 0.00 0.55 -2.57 119.26 123.76 3hbr h ALA 194 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hbr h ALA 194 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hbr h ALA 194 CO -0.20 0.17 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 3hbr n MET 195 N -4.41 0.40 -1.80 0.00 2.81 -0.26 -4.72 117.12 109.14 3hbr n MET 195 Ca -0.02 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 3hbr n MET 195 Cb 0.18 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 3hbr n MET 195 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3hbr s LEU 196 N -2.60 4.39 -0.04 4.03 2.96 -0.97 -0.12 118.68 126.33 3hbr s LEU 196 Ca 0.27 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 3hbr s LEU 196 Cb 0.20 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 3hbr s LEU 196 CO 0.46 -0.96 -0.03 0.41 -1.32 0.00 0.00 176.35 174.91 3hbr n THR 197 N 4.79 0.21 -3.55 3.68 -1.04 0.74 -4.89 114.28 114.22 3hbr n THR 197 Ca 0.17 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.05 61.92 3hbr n THR 197 Cb 0.39 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.18 3hbr n THR 197 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hbr s GLU 198 N -2.07 1.00 -0.13 -2.82 2.12 -0.85 -5.00 118.70 110.95 3hbr s GLU 198 Ca -0.05 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.24 3hbr s GLU 198 Cb 0.01 0.47 0.06 0.00 0.26 0.00 0.00 34.13 34.93 3hbr s GLU 198 CO 0.09 -0.31 0.62 0.00 -0.54 0.00 0.00 175.26 175.12 3hbr s ALA 199 N -1.18 -1.56 0.39 6.30 0.00 -1.26 0.04 121.76 124.49 3hbr s ALA 199 Ca -0.11 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.31 3hbr s ALA 199 Cb -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3hbr s ALA 199 CO 0.09 -0.32 0.15 -0.80 0.00 0.00 0.00 175.76 174.87 3hbr s ASN 200 N -0.50 2.56 0.00 0.00 -0.87 0.75 -5.00 114.94 111.88 3hbr s ASN 200 Ca -0.06 -1.67 0.24 0.00 -1.57 0.00 0.00 52.86 49.79 3hbr s ASN 200 Cb -0.03 0.50 1.37 0.00 -0.02 0.00 0.00 41.25 43.07 3hbr s ASN 200 CO 0.05 -0.94 1.78 0.61 -2.57 0.00 0.00 177.10 176.03 3hbr n GLY 201 N -0.85 -0.80 0.03 0.66 0.00 -1.26 -4.05 105.19 98.93 3hbr n GLY 201 Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 3hbr n GLY 201 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbr n ASP 202 N -1.05 3.60 -4.00 1.61 8.00 -1.26 -5.07 116.55 118.39 3hbr n ASP 202 Ca 0.17 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.55 3hbr n ASP 202 Cb 0.10 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 3hbr n ASP 202 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hbr s TYR 203 N -2.12 0.47 -0.06 1.24 -0.85 -1.26 -4.66 117.35 110.10 3hbr s TYR 203 Ca -0.07 -0.81 0.04 0.00 -0.52 0.00 0.00 57.07 55.71 3hbr s TYR 203 Cb 0.02 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.35 3hbr s TYR 203 CO 0.16 -0.82 -0.18 0.42 -1.52 0.00 0.00 175.55 173.61 3hbr s ILE 204 N -4.01 1.54 -0.20 -3.49 1.01 -0.40 -0.18 121.20 115.47 3hbr s ILE 204 Ca 0.22 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 3hbr s ILE 204 Cb 0.02 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.17 3hbr s ILE 204 CO 0.05 0.44 -0.15 -0.63 0.00 0.00 0.00 174.94 174.65 3hbr s ILE 205 N 0.25 2.45 -0.19 2.92 1.01 0.11 -0.22 121.20 127.52 3hbr s ILE 205 Ca -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3hbr s ILE 205 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3hbr s ILE 205 CO 0.04 0.47 -0.04 -0.13 0.00 0.00 0.00 174.94 175.29 3hbr s ARG 206 N 1.33 3.50 0.27 2.79 0.52 -1.03 -0.18 118.95 126.15 3hbr s ARG 206 Ca 0.04 -0.58 -0.20 0.00 -0.52 0.00 0.00 55.73 54.47 3hbr s ARG 206 Cb -0.14 -2.98 0.05 0.00 0.52 0.00 0.00 34.95 32.41 3hbr s ARG 206 CO -0.10 -0.02 0.84 0.00 0.02 0.00 0.00 175.30 176.05 3hbr s ALA 207 N 1.03 -1.21 -0.06 2.13 0.00 0.82 -1.80 121.76 122.67 3hbr s ALA 207 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3hbr s ALA 207 Cb -0.15 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.75 3hbr s ALA 207 CO 0.01 -1.03 0.14 0.21 0.00 0.00 0.00 175.76 175.08 3hbr s LYS 208 N -2.98 0.07 0.64 0.00 2.47 -0.27 -4.69 119.74 114.98 3hbr s LYS 208 Ca 0.14 0.38 -0.11 0.00 -1.56 0.00 0.00 55.97 54.82 3hbr s LYS 208 Cb -0.04 -0.20 -0.02 0.00 -1.46 0.00 0.00 37.83 36.10 3hbr s LYS 208 CO 0.07 -0.19 1.04 0.95 0.16 0.00 0.00 175.35 177.38 3hbr s THR 209 N 1.34 4.43 -0.02 3.43 -4.23 -1.26 -1.87 115.64 117.46 3hbr s THR 209 Ca -0.07 0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 3hbr s THR 209 Cb -0.12 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.08 3hbr s THR 209 CO -0.06 -1.01 0.40 -0.83 -0.54 0.00 0.00 174.62 172.58 3hbr s GLY 210 N -3.95 -0.25 -0.22 3.99 0.00 -0.51 -2.95 107.32 103.43 3hbr s GLY 210 Ca 0.56 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 3hbr s GLY 210 CO 0.53 0.32 0.25 -0.47 0.00 0.00 0.00 173.10 173.73 3hbr s TYR 211 N -1.29 -0.36 -0.37 1.90 6.04 -1.26 -0.79 117.35 121.22 3hbr s TYR 211 Ca -0.13 0.23 -0.16 0.00 0.04 0.00 0.00 57.07 57.05 3hbr s TYR 211 Cb -0.04 -0.33 0.00 0.00 -1.04 0.00 0.00 41.96 40.55 3hbr s TYR 211 CO 0.06 -0.66 0.40 0.45 -1.54 0.00 0.00 175.55 174.25 3hbr s SER 212 N 2.36 6.20 0.00 4.32 0.15 -0.07 -4.72 113.70 121.93 3hbr s SER 212 Ca 0.08 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.39 3hbr s SER 212 Cb -0.15 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3hbr s SER 212 CO -0.16 -0.44 0.22 0.35 1.20 0.00 0.00 173.24 174.42 3hbr n THR 213 N 5.32 0.00 1.07 6.45 -2.24 -1.26 -2.39 114.28 121.23 3hbr n THR 213 Ca -0.08 -0.42 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3hbr n THR 213 Cb 0.49 1.01 0.13 0.00 -2.10 0.00 0.00 70.33 69.86 3hbr n THR 213 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hbr n ARG 214 N -0.91 0.60 -3.86 -0.78 1.74 -1.26 -4.85 116.66 107.34 3hbr n ARG 214 Ca 0.01 -0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 56.53 3hbr n ARG 214 Cb 0.06 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.88 3hbr n ARG 214 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hbr s ILE 215 N -2.70 0.00 0.03 0.55 1.09 -1.26 -4.99 121.20 113.91 3hbr s ILE 215 Ca 0.16 -0.02 -0.20 0.00 -1.10 0.00 0.00 60.65 59.49 3hbr s ILE 215 Cb 0.18 -0.08 -0.06 0.00 -1.06 0.00 0.00 42.46 41.44 3hbr s ILE 215 CO 0.65 -0.01 0.59 -1.61 -0.10 0.00 0.00 174.94 174.46 3hbr s GLU 216 N -0.01 4.28 0.04 2.79 0.41 -1.26 -3.50 118.70 121.45 3hbr s GLU 216 Ca -0.00 0.74 -0.14 0.00 -0.41 0.00 0.00 54.97 55.16 3hbr s GLU 216 Cb -0.01 -3.31 -0.06 0.00 -1.78 0.00 0.00 34.13 28.98 3hbr s GLU 216 CO 0.00 0.46 0.44 -1.25 -0.49 0.00 0.00 175.26 174.42 3hbr s PRO 217 N -0.52 3.91 0.21 0.39 0.04 -1.26 -5.12 135.00 132.65 3hbr s PRO 217 Ca 0.30 0.40 -0.32 0.00 0.04 0.00 0.00 61.00 61.42 3hbr s PRO 217 Cb -0.19 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.09 3hbr s PRO 217 CO 0.18 0.63 1.64 1.63 0.04 0.00 0.00 177.00 181.12 3hbr n LYS 218 N 1.48 2.54 -4.10 4.56 5.02 -1.23 -4.95 118.16 121.49 3hbr n LYS 218 Ca -0.11 0.91 -0.12 0.00 -2.02 0.00 0.00 58.31 56.97 3hbr n LYS 218 Cb 0.52 -2.72 -0.11 0.00 -0.02 0.00 0.00 35.03 32.71 3hbr n LYS 218 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hbr s ILE 219 N 0.83 0.61 0.08 -0.18 -4.36 -1.01 -1.33 121.20 115.86 3hbr s ILE 219 Ca 0.74 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 3hbr s ILE 219 Cb -0.56 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 3hbr s ILE 219 CO 0.37 -0.53 0.10 -0.83 0.24 0.00 0.00 174.94 174.29 3hbr s GLY 220 N -2.06 2.03 0.07 6.27 0.00 -0.77 -0.89 107.32 111.96 3hbr s GLY 220 Ca -0.03 -1.00 0.09 0.00 0.00 0.00 0.00 44.72 43.78 3hbr s GLY 220 CO -0.01 -0.98 -0.23 0.86 0.00 0.00 0.00 173.10 172.74 3hbr s TRP 221 N -1.42 2.01 -0.08 1.90 -0.11 0.03 -2.50 118.94 118.75 3hbr s TRP 221 Ca 0.30 -0.39 -0.01 0.00 1.22 0.00 0.00 56.10 57.22 3hbr s TRP 221 Cb -0.12 -1.16 0.03 0.00 -1.50 0.00 0.00 33.47 30.71 3hbr s TRP 221 CO 0.23 0.16 -0.04 -0.46 -4.62 0.00 0.00 176.95 172.22 3hbr s TRP 222 N -0.91 1.02 0.04 5.86 -0.00 -0.54 -1.42 118.94 123.00 3hbr s TRP 222 Ca 0.09 -0.41 0.03 0.00 -0.00 0.00 0.00 56.10 55.82 3hbr s TRP 222 Cb -0.09 -0.96 -0.02 0.00 -0.00 0.00 0.00 33.47 32.39 3hbr s TRP 222 CO 0.03 -0.38 -0.09 0.14 -0.00 0.00 0.00 176.95 176.64 3hbr s VAL 223 N 1.70 0.69 -4.52 5.86 -7.23 -0.78 -1.73 120.40 114.39 3hbr s VAL 223 Ca 0.02 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3hbr s VAL 223 Cb -0.13 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.11 3hbr s VAL 223 CO -0.05 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3hbr n GLY 224 N 1.70 -0.52 3.24 2.32 0.00 0.03 -1.11 105.19 110.84 3hbr n GLY 224 Ca -0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 3hbr n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hbr s TRP 225 N -3.91 -0.04 -0.23 1.61 -2.14 -0.74 -0.48 118.94 113.00 3hbr s TRP 225 Ca 0.00 -0.18 -0.06 0.00 2.66 0.00 0.00 56.10 58.53 3hbr s TRP 225 Cb 0.00 0.06 -0.02 0.00 -3.10 0.00 0.00 33.47 30.41 3hbr s TRP 225 CO 0.00 -0.51 0.02 0.54 -2.66 0.00 0.00 176.95 174.34 3hbr s VAL 226 N -2.87 3.96 -0.17 -0.66 0.11 0.00 -2.47 120.40 118.31 3hbr s VAL 226 Ca -0.03 -0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 58.57 3hbr s VAL 226 Cb 0.00 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 3hbr s VAL 226 CO -0.05 0.39 0.36 -1.61 -3.33 0.00 0.00 175.10 170.86 3hbr s GLU 227 N 1.39 4.25 0.40 1.54 2.02 0.70 -1.57 118.70 127.43 3hbr s GLU 227 Ca 0.05 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.31 3hbr s GLU 227 Cb -0.15 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 3hbr s GLU 227 CO 0.01 0.12 0.21 -0.51 0.02 0.00 0.00 175.26 175.12 3hbr s LEU 228 N 0.80 3.19 0.30 1.80 1.43 -0.80 -1.28 118.68 124.11 3hbr s LEU 228 Ca 0.19 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3hbr s LEU 228 Cb -0.14 -1.59 0.77 0.00 0.03 0.00 0.00 46.19 45.26 3hbr s LEU 228 CO 0.07 -0.53 1.62 0.44 0.23 0.00 0.00 176.35 178.17 3hbr h ASP 229 N 1.37 -0.11 0.00 2.29 5.19 -1.98 -3.31 116.42 119.88 3hbr h ASP 229 Ca -0.43 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 3hbr h ASP 229 Cb 1.25 0.33 0.00 0.00 0.18 0.00 0.00 39.33 41.09 3hbr h ASP 229 CO 0.67 -0.24 -0.04 -0.90 -3.12 0.00 0.00 179.24 175.61 3hbr n ASP 230 N -5.30 1.04 -3.66 6.45 5.68 -1.26 -5.08 116.55 114.42 3hbr n ASP 230 Ca 0.23 -1.68 -0.05 0.00 -0.50 0.00 0.00 54.79 52.79 3hbr n ASP 230 Cb 0.76 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.68 3hbr n ASP 230 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3hbr s ASN 231 N -0.74 -0.16 -0.00 -1.12 3.04 -1.25 -4.97 114.94 109.74 3hbr s ASN 231 Ca 0.03 -0.56 0.00 0.00 0.04 0.00 0.00 52.86 52.37 3hbr s ASN 231 Cb 0.02 0.59 0.00 0.00 -1.54 0.00 0.00 41.25 40.32 3hbr s ASN 231 CO 0.00 -1.11 -0.01 0.54 -3.04 0.00 0.00 177.10 173.48 3hbr s VAL 232 N -3.23 0.12 -0.24 -5.21 0.11 -1.26 -1.90 120.40 108.79 3hbr s VAL 232 Ca 0.13 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 3hbr s VAL 232 Cb -0.03 -0.12 0.05 0.00 -1.53 0.00 0.00 36.38 34.76 3hbr s VAL 232 CO 0.05 0.04 -0.11 0.26 -3.33 0.00 0.00 175.10 172.01 3hbr s TRP 233 N 0.04 2.98 0.20 1.54 0.52 -0.61 -1.74 118.94 121.88 3hbr s TRP 233 Ca -0.00 -2.08 -0.23 0.00 0.02 0.00 0.00 56.10 53.82 3hbr s TRP 233 Cb -0.02 -1.84 -0.08 0.00 -1.15 0.00 0.00 33.47 30.38 3hbr s TRP 233 CO -0.00 -0.84 0.76 -0.06 0.02 0.00 0.00 176.95 176.82 3hbr s PHE 234 N 1.20 3.77 0.05 -1.98 0.40 -0.28 -0.82 117.98 120.32 3hbr s PHE 234 Ca -0.06 1.52 0.04 0.00 -0.60 0.00 0.00 56.93 57.83 3hbr s PHE 234 Cb -0.19 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 3hbr s PHE 234 CO -0.06 0.42 -0.11 -0.59 0.70 0.00 0.00 175.22 175.57 3hbr s PHE 235 N -1.35 0.95 -0.09 0.36 -0.12 0.36 -0.89 117.98 117.21 3hbr s PHE 235 Ca 0.40 -0.42 -0.04 0.00 -0.05 0.00 0.00 56.93 56.82 3hbr s PHE 235 Cb -0.20 -0.56 0.04 0.00 -0.63 0.00 0.00 43.02 41.68 3hbr s PHE 235 CO 0.23 -0.01 0.19 0.00 -0.05 0.00 0.00 175.22 175.59 3hbr s ALA 236 N -1.13 -0.41 0.01 1.99 0.00 -0.75 -0.79 121.76 120.69 3hbr s ALA 236 Ca -0.04 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.79 3hbr s ALA 236 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3hbr s ALA 236 CO 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 175.76 175.49 3hbr s MET 237 N 1.24 0.71 0.13 0.00 0.23 -0.71 -0.55 119.30 120.34 3hbr s MET 237 Ca -0.09 -0.49 0.01 0.00 -1.03 0.00 0.00 55.69 54.09 3hbr s MET 237 Cb -0.11 -0.66 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 3hbr s MET 237 CO -0.07 0.17 -0.01 0.54 -2.03 0.00 0.00 175.02 173.62 3hbr s ASN 238 N -0.66 0.87 -0.11 -1.18 2.20 -0.84 -1.46 114.94 113.75 3hbr s ASN 238 Ca 0.01 -1.11 -0.30 0.00 -0.94 0.00 0.00 52.86 50.51 3hbr s ASN 238 Cb -0.05 0.17 0.09 0.00 -2.00 0.00 0.00 41.25 39.45 3hbr s ASN 238 CO 0.00 -0.59 0.80 0.00 -2.94 0.00 0.00 177.10 174.38 3hbr s MET 239 N -3.93 0.86 0.28 3.55 0.23 -1.04 -0.29 119.30 118.97 3hbr s MET 239 Ca 0.18 0.30 -0.29 0.00 -1.03 0.00 0.00 55.69 54.85 3hbr s MET 239 Cb 0.06 0.41 -0.10 0.00 -1.53 0.00 0.00 34.83 33.68 3hbr s MET 239 CO -0.01 -0.25 1.29 -0.51 -2.03 0.00 0.00 175.02 173.51 3hbr s ASP 240 N -0.97 6.87 -0.45 -1.18 1.01 -0.33 -1.85 116.67 119.76 3hbr s ASP 240 Ca -0.06 2.55 0.05 0.00 0.71 0.00 0.00 52.55 55.80 3hbr s ASP 240 Cb -0.01 -2.63 0.18 0.00 1.01 0.00 0.00 42.92 41.47 3hbr s ASP 240 CO 0.06 -0.49 0.39 0.80 0.21 0.00 0.00 175.17 176.14 3hbr n MET 241 N 1.47 0.49 0.08 8.23 1.56 -0.44 -4.80 117.12 123.70 3hbr n MET 241 Ca 0.02 -3.36 -0.03 0.00 -0.27 0.00 0.00 57.70 54.06 3hbr n MET 241 Cb 0.42 -1.70 0.20 0.00 2.15 0.00 0.00 33.22 34.29 3hbr n MET 241 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 3hbr h PRO 242 N 5.37 0.29 -4.95 2.12 0.13 -1.94 -3.41 132.00 129.61 3hbr h PRO 242 Ca 0.23 -0.14 -0.34 0.00 -0.87 0.00 0.00 66.00 64.88 3hbr h PRO 242 Cb 0.88 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.87 3hbr h PRO 242 CO 0.43 0.67 -0.65 -0.08 -0.23 0.00 0.00 178.00 178.13 3hbr s THR 243 N -4.13 0.84 0.10 1.56 -1.32 -1.26 -5.02 115.64 106.40 3hbr s THR 243 Ca -0.05 -2.01 0.33 0.00 -1.21 0.00 0.00 61.69 58.75 3hbr s THR 243 Cb 0.13 -2.30 0.35 0.00 -1.51 0.00 0.00 72.50 69.18 3hbr s THR 243 CO 0.78 -0.34 1.99 -1.28 -2.21 0.00 0.00 174.62 173.56 3hbr h SER 244 N 2.54 0.00 -0.06 8.08 0.87 -2.03 -3.25 113.55 119.70 3hbr h SER 244 Ca -0.38 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.20 3hbr h SER 244 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3hbr h SER 244 CO 0.63 0.00 0.04 0.44 -0.53 0.00 0.00 176.83 177.42 3hbr h ASP 245 N 0.00 0.00 0.61 6.23 3.45 -1.98 -1.98 116.42 122.75 3hbr h ASP 245 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hbr h ASP 245 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 3hbr h ASP 245 CO 0.00 0.00 -0.28 0.61 -1.57 0.00 0.00 179.24 178.00 3hbr n GLY 246 N -1.52 -1.24 0.58 2.75 0.00 -1.23 -4.47 105.19 100.06 3hbr n GLY 246 Ca -0.02 -0.27 0.40 0.00 0.00 0.00 0.00 46.02 46.13 3hbr n GLY 246 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hbr h LEU 247 N 0.16 0.03 -0.61 0.99 3.38 -1.57 0.15 115.31 117.84 3hbr h LEU 247 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hbr h LEU 247 Cb 0.48 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hbr h LEU 247 CO 0.00 -0.00 -0.16 1.23 0.09 0.00 0.00 178.44 179.60 3hbr h GLY 248 N 0.02 0.00 2.00 0.83 0.00 -1.83 -2.94 103.07 101.15 3hbr h GLY 248 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 3hbr h GLY 248 CO -0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.92 3hbr h LEU 249 N 0.00 0.00 0.36 3.11 3.38 -1.02 -1.95 115.31 119.19 3hbr h LEU 249 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hbr h LEU 249 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3hbr h LEU 249 CO 0.02 0.00 -0.39 0.03 0.09 0.00 0.00 178.44 178.19 3hbr h ARG 250 N 0.00 -0.75 0.03 1.13 3.08 -1.63 0.85 114.38 117.08 3hbr h ARG 250 Ca 0.00 0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 3hbr h ARG 250 Cb 0.47 0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.70 3hbr h ARG 250 CO 0.00 -0.50 -1.03 1.96 -1.07 0.00 0.00 179.97 179.33 3hbr h GLN 251 N -0.78 0.46 0.01 0.04 7.50 -1.74 -3.10 115.11 117.49 3hbr h GLN 251 Ca -0.03 -0.53 -0.00 0.00 0.50 0.00 0.00 58.65 58.59 3hbr h GLN 251 Cb 0.71 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.40 3hbr h GLN 251 CO -0.08 1.18 -0.00 0.00 -1.50 0.00 0.00 178.83 178.43 3hbr h ALA 252 N 0.63 -0.01 -0.26 3.87 0.00 -1.34 -0.89 119.26 121.26 3hbr h ALA 252 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hbr h ALA 252 Cb 1.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hbr h ALA 252 CO 0.18 -0.49 0.09 0.82 0.00 0.00 0.00 179.25 179.85 3hbr h ILE 253 N -0.03 1.19 -0.84 0.00 2.04 -0.94 -1.64 117.51 117.28 3hbr h ILE 253 Ca -0.00 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3hbr h ILE 253 Cb 0.03 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3hbr h ILE 253 CO 0.00 0.19 0.51 0.74 0.00 0.00 0.00 178.15 179.59 3hbr h THR 254 N 0.27 0.97 -0.60 -0.27 2.02 -1.53 -1.95 112.91 111.82 3hbr h THR 254 Ca 0.09 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3hbr h THR 254 Cb 0.21 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3hbr h THR 254 CO -0.00 0.16 0.18 0.11 0.37 0.00 0.00 175.52 176.33 3hbr h LYS 255 N 0.88 0.91 -0.15 6.66 1.57 -0.87 -2.34 116.57 123.24 3hbr h LYS 255 Ca 0.39 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3hbr h LYS 255 Cb 0.27 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hbr h LYS 255 CO -0.21 0.80 -0.02 0.93 -0.57 0.00 0.00 179.45 180.38 3hbr h GLU 256 N 0.89 0.02 0.29 3.15 4.39 -0.53 -2.27 114.58 120.52 3hbr h GLU 256 Ca 0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3hbr h GLU 256 Cb 0.27 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3hbr h GLU 256 CO -0.01 0.01 -0.48 0.28 -1.16 0.00 0.00 179.01 177.66 3hbr h VAL 257 N 0.02 0.07 -0.60 3.13 2.07 -1.23 -1.76 116.25 117.95 3hbr h VAL 257 Ca 0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 3hbr h VAL 257 Cb 0.10 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 29.83 3hbr h VAL 257 CO -0.14 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.34 3hbr h LEU 258 N -0.83 -0.36 -0.86 2.57 3.38 -1.31 0.14 115.31 118.03 3hbr h LEU 258 Ca -0.02 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3hbr h LEU 258 Cb 0.78 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 3hbr h LEU 258 CO -0.17 -0.14 0.52 0.11 0.09 0.00 0.00 178.44 178.85 3hbr h LYS 259 N 0.07 0.86 -0.46 1.13 1.57 -1.40 -0.29 116.57 118.06 3hbr h LYS 259 Ca 0.31 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3hbr h LYS 259 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hbr h LYS 259 CO -0.55 0.57 -0.20 0.37 -0.57 0.00 0.00 179.45 179.07 3hbr h GLN 260 N 0.89 0.91 -0.09 3.15 4.15 -0.11 -2.85 115.11 121.16 3hbr h GLN 260 Ca 0.40 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3hbr h GLN 260 Cb 0.30 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3hbr h GLN 260 CO -0.22 1.02 0.00 0.39 -1.93 0.00 0.00 178.83 178.09 3hbr n GLU 261 N -4.12 1.60 -1.22 1.69 -0.58 -0.19 -4.90 120.64 112.92 3hbr n GLU 261 Ca 0.00 -0.89 -0.08 0.00 -0.42 0.00 0.00 57.16 55.78 3hbr n GLU 261 Cb 0.44 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 3hbr n GLU 261 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hbr n LYS 262 N 0.09 -1.02 -0.21 3.49 4.76 -0.46 -4.89 118.16 119.91 3hbr n LYS 262 Ca 0.18 0.68 -0.06 0.00 -2.87 0.00 0.00 58.31 56.24 3hbr n LYS 262 Cb 0.30 -4.67 0.09 0.00 -1.84 0.00 0.00 35.03 28.91 3hbr n LYS 262 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3hbr h ILE 263 N 0.00 1.25 -4.06 -0.18 2.04 -1.37 -3.43 117.51 111.76 3hbr h ILE 263 Ca -0.15 -0.95 -0.62 0.00 1.00 0.00 0.00 64.86 64.13 3hbr h ILE 263 Cb 0.74 0.59 -0.24 0.00 -0.74 0.00 0.00 36.82 37.17 3hbr h ILE 263 CO 0.23 0.36 -0.85 0.27 0.00 0.00 0.00 178.15 178.15 3hbr s ILE 264 N -5.25 1.92 -2.35 -0.67 -4.36 -1.17 -4.99 121.20 104.33 3hbr s ILE 264 Ca -0.11 -1.47 0.29 0.00 -0.26 0.00 0.00 60.65 59.10 3hbr s ILE 264 Cb 0.15 -1.69 0.66 0.00 1.25 0.00 0.00 42.46 42.83 3hbr s ILE 264 CO 0.83 0.13 1.89 -0.81 0.24 0.00 0.00 174.94 177.23