#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbr s GLN 26 N 0.00 1.03 -0.22 -0.99 0.74 0.14 -4.97 119.66 115.41 3hbr s GLN 26 Ca 0.00 -0.46 -0.08 0.00 0.05 0.00 0.00 55.36 54.87 3hbr s GLN 26 Cb 0.00 -1.00 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 3hbr s GLN 26 CO 0.00 0.27 0.09 -2.00 -0.55 0.00 0.00 175.29 173.10 3hbr s GLU 27 N -0.32 3.90 -0.39 1.67 2.12 -1.26 -1.18 118.70 123.25 3hbr s GLU 27 Ca 0.05 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.04 3hbr s GLU 27 Cb -0.05 -3.32 0.11 0.00 0.26 0.00 0.00 34.13 31.13 3hbr s GLU 27 CO -0.00 0.09 0.13 1.21 -0.54 0.00 0.00 175.26 176.14 3hbr s ASN 28 N 0.90 4.37 0.00 -1.70 3.04 0.26 -4.93 114.94 116.88 3hbr s ASN 28 Ca 0.05 -2.30 0.22 0.00 0.04 0.00 0.00 52.86 50.86 3hbr s ASN 28 Cb -0.14 -1.39 1.11 0.00 -1.54 0.00 0.00 41.25 39.29 3hbr s ASN 28 CO 0.03 -0.34 1.70 0.29 -3.04 0.00 0.00 177.10 175.74 3hbr n LYS 29 N 4.03 0.33 0.24 0.43 5.02 -1.26 -2.92 118.16 124.03 3hbr n LYS 29 Ca 0.04 0.08 0.17 0.00 -2.02 0.00 0.00 58.31 56.57 3hbr n LYS 29 Cb 0.39 -1.50 0.80 0.00 -0.02 0.00 0.00 35.03 34.69 3hbr n LYS 29 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hbr h SER 30 N 0.00 0.00 0.80 4.39 4.64 -1.94 -0.70 113.55 120.74 3hbr h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbr h SER 30 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hbr h SER 30 CO 0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 3hbr n TRP 31 N -2.74 0.81 0.30 4.77 8.01 -1.15 -2.19 117.44 125.24 3hbr n TRP 31 Ca -0.01 0.31 0.18 0.00 -1.31 0.00 0.00 57.50 56.67 3hbr n TRP 31 Cb 0.16 -1.00 0.77 0.00 -2.01 0.00 0.00 31.31 29.23 3hbr n TRP 31 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3hbr h ASN 32 N 0.00 0.00 -0.54 -0.99 2.35 -1.38 -2.65 115.58 112.38 3hbr h ASN 32 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hbr h ASN 32 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3hbr h ASN 32 CO 0.00 0.00 0.32 0.00 -1.65 0.00 0.00 177.43 176.10 3hbr h ALA 33 N 2.02 0.68 -0.49 -0.83 0.00 -1.64 0.17 119.26 119.17 3hbr h ALA 33 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3hbr h ALA 33 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hbr h ALA 33 CO 0.00 0.17 -0.18 0.45 0.00 0.00 0.00 179.25 179.69 3hbr h HIS 34 N 0.72 1.11 0.88 0.00 3.86 -1.67 0.51 115.15 120.55 3hbr h HIS 34 Ca 0.19 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3hbr h HIS 34 Cb -0.01 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.20 3hbr h HIS 34 CO -0.03 1.06 -0.44 0.74 0.86 0.00 0.00 177.93 180.13 3hbr h PHE 35 N 0.85 -1.14 -0.88 2.45 -1.00 -1.30 -2.90 116.94 113.02 3hbr h PHE 35 Ca 0.12 -0.02 0.13 0.00 2.81 0.00 0.00 57.97 61.00 3hbr h PHE 35 Cb 0.74 0.38 -0.09 0.00 3.61 0.00 0.00 35.95 40.60 3hbr h PHE 35 CO 0.05 -0.70 0.50 1.15 -1.61 0.00 0.00 178.31 177.70 3hbr h THR 36 N -1.20 0.82 -0.71 -1.55 2.02 -0.68 -0.79 112.91 110.81 3hbr h THR 36 Ca -0.12 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.86 3hbr h THR 36 Cb 0.93 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3hbr h THR 36 CO 0.19 0.14 0.47 -0.33 0.37 0.00 0.00 175.52 176.35 3hbr h GLU 37 N 0.76 0.72 -0.79 6.66 4.39 -0.96 -0.36 114.58 125.00 3hbr h GLU 37 Ca 0.46 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.98 3hbr h GLU 37 Cb 0.55 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 3hbr h GLU 37 CO -0.31 0.48 0.18 0.72 -1.16 0.00 0.00 179.01 178.92 3hbr n HIS 38 N -4.48 1.85 -3.62 4.33 8.25 -0.42 -4.93 115.22 116.20 3hbr n HIS 38 Ca 0.10 -0.89 -0.24 0.00 -0.26 0.00 0.00 57.72 56.43 3hbr n HIS 38 Cb 0.22 -0.54 0.08 0.00 1.12 0.00 0.00 29.99 30.86 3hbr n HIS 38 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hbr n LYS 39 N 0.05 -7.81 -4.18 -0.41 5.02 -0.15 -4.92 118.16 105.76 3hbr n LYS 39 Ca 0.30 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 57.29 3hbr n LYS 39 Cb 1.12 -5.86 -0.10 0.00 -0.02 0.00 0.00 35.03 30.17 3hbr n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3hbr s SER 40 N -3.34 0.19 -0.04 4.39 0.01 -0.50 -5.00 113.70 109.40 3hbr s SER 40 Ca 0.58 -1.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 3hbr s SER 40 Cb -0.26 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.36 3hbr s SER 40 CO 0.74 -0.82 0.09 -1.58 0.41 0.00 0.00 173.24 172.08 3hbr s GLN 41 N -4.12 0.06 0.00 12.44 0.74 -1.26 -3.62 119.66 123.90 3hbr s GLN 41 Ca 0.34 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.97 3hbr s GLN 41 Cb 0.07 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.08 3hbr s GLN 41 CO 0.09 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 3hbr n GLY 42 N 3.71 -0.92 3.10 2.59 0.00 -1.26 -1.98 105.19 110.42 3hbr n GLY 42 Ca -0.21 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 1.10 -0.03 1.61 0.11 -0.03 -4.86 120.40 115.31 3hbr s VAL 43 Ca 0.00 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 3hbr s VAL 43 Cb 0.00 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3hbr s VAL 43 CO 0.00 0.31 -0.23 0.68 -3.33 0.00 0.00 175.10 172.54 3hbr s VAL 44 N -0.24 2.33 -0.08 2.04 -7.23 -1.26 -1.98 120.40 113.97 3hbr s VAL 44 Ca 0.04 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3hbr s VAL 44 Cb -0.06 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.05 3hbr s VAL 44 CO -0.00 0.58 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.51 3hbr s VAL 45 N -0.65 1.48 -0.06 1.32 1.01 -0.58 -3.43 120.40 119.49 3hbr s VAL 45 Ca 0.10 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3hbr s VAL 45 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hbr s VAL 45 CO -0.01 0.43 -0.18 -0.76 0.00 0.00 0.00 175.10 174.58 3hbr s LEU 46 N 0.57 2.47 -0.19 3.92 1.02 0.20 -1.92 118.68 124.76 3hbr s LEU 46 Ca -0.16 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 53.67 3hbr s LEU 46 Cb -0.17 -1.49 0.04 0.00 0.02 0.00 0.00 46.19 44.59 3hbr s LEU 46 CO 0.05 0.28 -0.12 0.86 0.02 0.00 0.00 176.35 177.44 3hbr s TRP 47 N -0.37 2.43 -0.56 0.29 -0.11 0.11 -1.33 118.94 119.40 3hbr s TRP 47 Ca 0.03 -1.53 -0.26 0.00 1.22 0.00 0.00 56.10 55.57 3hbr s TRP 47 Cb -0.12 -1.67 0.04 0.00 -1.50 0.00 0.00 33.47 30.21 3hbr s TRP 47 CO 0.02 -0.74 1.04 1.21 -4.62 0.00 0.00 176.95 173.87 3hbr s ASN 48 N 1.40 6.40 0.11 5.86 3.84 0.02 -0.67 114.94 131.90 3hbr s ASN 48 Ca 0.01 -0.13 -0.14 0.00 0.21 0.00 0.00 52.86 52.81 3hbr s ASN 48 Cb -0.15 -2.49 -0.06 0.00 -0.55 0.00 0.00 41.25 38.01 3hbr s ASN 48 CO -0.09 -1.32 1.48 -0.08 -2.79 0.00 0.00 177.10 174.29 3hbr h GLU 49 N 9.39 0.74 0.11 0.43 4.57 -1.71 0.59 114.58 128.71 3hbr h GLU 49 Ca -0.25 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 3hbr h GLU 49 Cb 1.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3hbr h GLU 49 CO 1.12 0.95 -0.10 -0.91 -1.18 0.00 0.00 179.01 178.89 3hbr h ASN 50 N 0.52 -0.27 0.41 1.04 2.35 -1.93 -3.12 115.58 114.58 3hbr h ASN 50 Ca 0.07 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hbr h ASN 50 Cb 0.74 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3hbr h ASN 50 CO 0.06 -0.16 -0.07 1.17 -1.65 0.00 0.00 177.43 176.78 3hbr n LYS 51 N -5.22 0.62 -3.90 0.81 3.00 -1.19 -4.95 118.16 107.34 3hbr n LYS 51 Ca -0.07 -0.14 -0.27 0.00 -0.00 0.00 0.00 58.31 57.83 3hbr n LYS 51 Cb 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.69 3hbr n LYS 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3hbr n GLN 52 N -1.07 -4.44 -4.74 1.64 1.13 0.18 -5.00 117.38 105.10 3hbr n GLN 52 Ca 0.15 0.52 -0.24 0.00 -1.94 0.00 0.00 57.00 55.49 3hbr n GLN 52 Cb 0.26 -5.08 -0.16 0.00 0.11 0.00 0.00 30.24 25.37 3hbr n GLN 52 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3hbr s GLN 53 N -6.44 1.41 0.06 -1.09 -0.21 -1.11 -4.97 119.66 107.32 3hbr s GLN 53 Ca 0.28 -0.55 0.06 0.00 0.02 0.00 0.00 55.36 55.17 3hbr s GLN 53 Cb -0.15 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 3hbr s GLN 53 CO 0.85 0.28 -0.09 0.20 -2.12 0.00 0.00 175.29 174.41 3hbr s GLY 54 N -0.17 1.76 -0.01 3.09 0.00 -1.26 -0.80 107.32 109.93 3hbr s GLY 54 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3hbr s GLY 54 CO 0.00 -1.09 0.00 -1.36 0.00 0.00 0.00 173.10 170.66 3hbr s PHE 55 N -1.11 0.08 0.06 1.90 0.40 -0.44 -0.68 117.98 118.19 3hbr s PHE 55 Ca 0.19 0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 3hbr s PHE 55 Cb -0.11 -0.14 0.01 0.00 0.51 0.00 0.00 43.02 43.29 3hbr s PHE 55 CO 0.11 -0.04 0.25 -0.08 0.70 0.00 0.00 175.22 176.16 3hbr s THR 56 N 0.41 0.10 -0.55 0.64 -1.32 -0.33 -0.63 115.64 113.98 3hbr s THR 56 Ca -0.04 -0.85 0.24 0.00 -1.21 0.00 0.00 61.69 59.83 3hbr s THR 56 Cb -0.05 -1.03 0.19 0.00 -1.51 0.00 0.00 72.50 70.09 3hbr s THR 56 CO -0.01 -0.47 1.49 -0.55 -2.21 0.00 0.00 174.62 172.87 3hbr h ASN 57 N 3.13 0.00 -1.88 8.08 -1.07 -1.70 0.76 115.58 122.90 3hbr h ASN 57 Ca -0.32 -0.05 -0.30 0.00 0.07 0.00 0.00 56.30 55.69 3hbr h ASN 57 Cb 1.20 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.15 3hbr h ASN 57 CO 0.49 0.03 -0.63 0.21 0.07 0.00 0.00 177.43 177.60 3hbr s ASN 58 N -5.06 0.93 0.29 6.14 3.04 -1.26 -4.52 114.94 114.50 3hbr s ASN 58 Ca 0.07 -1.09 -0.01 0.00 0.04 0.00 0.00 52.86 51.86 3hbr s ASN 58 Cb 0.10 0.76 0.45 0.00 -1.54 0.00 0.00 41.25 41.02 3hbr s ASN 58 CO 0.68 -0.30 1.92 -0.07 -3.04 0.00 0.00 177.10 176.29 3hbr h LEU 59 N 7.55 0.98 0.59 3.21 3.38 -1.96 -0.44 115.31 128.62 3hbr h LEU 59 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hbr h LEU 59 Cb 1.08 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3hbr h LEU 59 CO 0.24 0.66 -0.28 0.50 0.09 0.00 0.00 178.44 179.64 3hbr h LYS 60 N 1.13 -0.76 -0.40 1.13 3.64 -2.00 -3.14 116.57 116.17 3hbr h LYS 60 Ca 0.38 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.83 3hbr h LYS 60 Cb 0.08 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3hbr h LYS 60 CO -0.13 -0.45 0.26 -0.09 -2.27 0.00 0.00 179.45 176.78 3hbr h ARG 61 N -1.00 0.47 -0.85 1.90 2.43 -1.89 -1.42 114.38 114.03 3hbr h ARG 61 Ca -0.08 -0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.29 3hbr h ARG 61 Cb 0.66 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3hbr h ARG 61 CO 0.13 0.31 0.60 0.00 -1.51 0.00 0.00 179.97 179.51 3hbr h ALA 62 N 1.76 2.63 -0.01 2.80 0.00 -1.05 -2.61 119.26 122.78 3hbr h ALA 62 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hbr h ALA 62 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hbr h ALA 62 CO -0.03 -0.88 -0.49 0.09 0.00 0.00 0.00 179.25 177.93 3hbr n ASN 63 N -4.35 1.63 -4.66 0.00 5.03 -0.57 -1.95 115.26 110.39 3hbr n ASN 63 Ca 0.18 -1.31 -0.42 0.00 0.87 0.00 0.00 54.58 53.89 3hbr n ASN 63 Cb 0.85 0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 40.16 3hbr n ASN 63 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3hbr s GLN 64 N -2.27 4.20 -0.10 3.52 -0.21 -0.99 -4.76 119.66 119.05 3hbr s GLN 64 Ca 0.14 2.05 -0.18 0.00 0.02 0.00 0.00 55.36 57.39 3hbr s GLN 64 Cb 0.15 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 3hbr s GLN 64 CO 0.53 -0.79 0.50 0.00 -2.12 0.00 0.00 175.29 173.41 3hbr s ALA 65 N 3.76 3.48 0.40 6.09 0.00 -1.26 -4.22 121.76 130.00 3hbr s ALA 65 Ca 0.68 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3hbr s ALA 65 Cb -0.31 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3hbr s ALA 65 CO 0.26 0.04 0.08 -0.06 0.00 0.00 0.00 175.76 176.07 3hbr s PHE 66 N 0.46 1.91 0.23 0.00 0.40 0.53 -4.65 117.98 116.87 3hbr s PHE 66 Ca 0.27 -1.08 -0.31 0.00 -0.60 0.00 0.00 56.93 55.21 3hbr s PHE 66 Cb -0.16 -1.31 -0.11 0.00 0.51 0.00 0.00 43.02 41.95 3hbr s PHE 66 CO 0.11 -0.06 1.61 -0.51 0.70 0.00 0.00 175.22 177.07 3hbr s LEU 67 N -3.62 4.36 0.50 -0.37 1.43 -1.26 -0.60 118.68 119.12 3hbr s LEU 67 Ca 0.26 2.82 0.28 0.00 -1.03 0.00 0.00 54.13 56.46 3hbr s LEU 67 Cb 0.05 -3.61 1.26 0.00 0.03 0.00 0.00 46.19 43.92 3hbr s LEU 67 CO 0.13 -0.89 1.97 1.55 0.23 0.00 0.00 176.35 179.34 3hbr h PRO 68 N 5.87 0.00 0.00 1.29 0.13 -1.79 -3.46 132.00 134.05 3hbr h PRO 68 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hbr h PRO 68 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hbr h PRO 68 CO 0.87 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 3hbr n ALA 69 N -2.21 0.00 0.54 -0.56 0.00 -0.45 -1.73 120.51 116.11 3hbr n ALA 69 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3hbr n ALA 69 Cb 0.32 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.08 3hbr n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hbr n SER 70 N -0.09 0.00 0.30 0.00 7.64 -1.26 -0.74 113.62 119.47 3hbr n SER 70 Ca 0.00 0.31 0.16 0.00 1.01 0.00 0.00 58.87 60.35 3hbr n SER 70 Cb 0.00 -0.40 0.92 0.00 -1.01 0.00 0.00 64.21 63.72 3hbr n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3hbr h THR 71 N 0.00 0.44 0.00 0.44 1.35 -1.33 -3.40 112.91 110.41 3hbr h THR 71 Ca 0.00 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.71 3hbr h THR 71 Cb 0.18 1.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3hbr h THR 71 CO 0.00 0.03 1.00 0.33 -0.25 0.00 0.00 175.52 176.63 3hbr n PHE 72 N -3.67 0.00 0.00 4.73 7.35 0.08 -4.50 117.46 121.45 3hbr n PHE 72 Ca -0.03 -0.49 0.00 0.00 -0.76 0.00 0.00 57.45 56.17 3hbr n PHE 72 Cb 0.12 -0.60 0.00 0.00 0.35 0.00 0.00 39.48 39.34 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 5.06 0.00 -0.33 -2.13 5.41 -1.26 -1.48 119.36 124.63 3hbr n ILE 74 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.82 3hbr n ILE 74 Cb 0.02 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.19 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 1.00 -0.40 0.38 0.13 -1.98 -2.67 132.00 128.46 3hbr h PRO 75 Ca 0.00 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3hbr h PRO 75 Cb 0.00 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 30.88 3hbr h PRO 75 CO 0.00 0.66 0.23 -0.97 -0.23 0.00 0.00 178.00 177.69 3hbr h ASN 76 N 1.03 0.36 -0.52 1.44 -0.00 -1.63 -2.00 115.58 114.26 3hbr h ASN 76 Ca 0.43 0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.80 3hbr h ASN 76 Cb 0.30 -0.07 -0.06 0.00 -0.00 0.00 0.00 38.32 38.50 3hbr h ASN 76 CO -0.18 0.26 0.21 0.28 -0.00 0.00 0.00 177.43 178.00 3hbr h SER 77 N 0.46 0.25 -0.65 1.15 0.02 -1.74 -2.06 113.55 110.98 3hbr h SER 77 Ca 0.16 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3hbr h SER 77 Cb 0.02 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3hbr h SER 77 CO -0.08 0.17 0.20 -0.07 -1.14 0.00 0.00 176.83 175.91 3hbr h LEU 78 N 0.41 0.95 -0.09 5.07 3.38 -1.14 -1.92 115.31 121.97 3hbr h LEU 78 Ca 0.25 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hbr h LEU 78 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hbr h LEU 78 CO -0.23 0.91 -0.22 0.40 0.09 0.00 0.00 178.44 179.39 3hbr h ILE 79 N 0.94 1.40 -0.67 1.22 2.04 -1.26 -0.81 117.51 120.36 3hbr h ILE 79 Ca 0.21 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.57 3hbr h ILE 79 Cb 0.30 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 3hbr h ILE 79 CO -0.01 0.44 0.41 0.00 0.00 0.00 0.00 178.15 178.99 3hbr h ALA 80 N 0.50 0.89 0.03 1.87 0.00 -1.33 0.06 119.26 121.27 3hbr h ALA 80 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hbr h ALA 80 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hbr h ALA 80 CO 0.05 0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.35 3hbr h LEU 81 N 0.78 -0.03 -0.66 0.00 3.38 -1.28 0.13 115.31 117.62 3hbr h LEU 81 Ca 0.28 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hbr h LEU 81 Cb 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3hbr h LEU 81 CO -0.13 0.23 0.43 -0.78 0.09 0.00 0.00 178.44 178.27 3hbr h ASP 82 N -0.29 0.72 0.34 -0.43 -0.00 -0.87 -1.58 116.42 114.31 3hbr h ASP 82 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3hbr h ASP 82 Cb 0.28 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 3hbr h ASP 82 CO 0.01 0.51 -0.04 0.18 -0.00 0.00 0.00 179.24 179.89 3hbr n LEU 83 N -4.66 0.23 0.00 2.28 4.77 -0.02 -4.94 117.00 114.67 3hbr n LEU 83 Ca 0.06 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3hbr n LEU 83 Cb 0.05 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3hbr n LEU 83 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3hbr n GLY 84 N 1.22 0.50 0.18 -0.72 0.00 -0.03 -4.88 105.19 101.46 3hbr n GLY 84 Ca 0.17 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.98 3hbr n GLY 84 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hbr h VAL 85 N 0.00 0.92 -3.23 1.61 -1.51 -1.09 -3.38 116.25 109.57 3hbr h VAL 85 Ca 0.00 -1.56 -0.67 0.00 -1.23 0.00 0.00 66.70 63.24 3hbr h VAL 85 Cb 0.00 1.94 -0.35 0.00 -2.13 0.00 0.00 31.29 30.75 3hbr h VAL 85 CO 0.00 0.38 -0.85 -0.69 -1.23 0.00 0.00 177.57 175.18 3hbr s VAL 86 N -3.61 2.08 0.01 7.19 1.01 -0.94 -5.00 120.40 121.15 3hbr s VAL 86 Ca -0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 3hbr s VAL 86 Cb 0.11 -1.94 -0.17 0.00 0.00 0.00 0.00 36.38 34.38 3hbr s VAL 86 CO 0.69 0.42 1.30 0.50 0.00 0.00 0.00 175.10 178.02 3hbr h LYS 87 N 7.91 -0.29 0.00 2.72 3.64 -1.88 -3.37 116.57 125.30 3hbr h LYS 87 Ca -0.40 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3hbr h LYS 87 Cb 1.12 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hbr h LYS 87 CO 0.60 0.03 0.25 -0.40 -2.27 0.00 0.00 179.45 177.66 3hbr n ASP 88 N -5.08 -1.22 0.00 4.20 5.68 -1.26 -5.04 116.55 113.83 3hbr n ASP 88 Ca -0.09 -1.77 0.12 0.00 -0.50 0.00 0.00 54.79 52.55 3hbr n ASP 88 Cb 0.24 2.02 0.68 0.00 -1.14 0.00 0.00 41.12 42.91 3hbr n ASP 88 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3hbr n GLU 89 N -0.37 0.66 -0.01 0.11 0.00 -1.26 -2.64 120.64 117.13 3hbr n GLU 89 Ca -0.04 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.23 3hbr n GLU 89 Cb 0.35 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.05 0.00 -1.67 -1.84 8.25 -1.26 -3.80 115.22 113.85 3hbr n HIS 90 Ca 0.16 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.17 3hbr n HIS 90 Cb 0.10 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.07 2.09 -3.51 -0.41 7.27 -1.08 -4.89 117.38 114.77 3hbr n GLN 91 Ca -0.03 0.75 -0.37 0.00 0.07 0.00 0.00 57.00 57.42 3hbr n GLN 91 Cb 0.48 -2.46 -0.06 0.00 2.41 0.00 0.00 30.24 30.61 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 0.35 5.21 -0.39 1.69 0.11 -1.26 -4.28 120.40 121.83 3hbr s VAL 92 Ca 0.73 0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 60.43 3hbr s VAL 92 Cb -0.66 -3.68 0.09 0.00 -1.53 0.00 0.00 36.38 30.60 3hbr s VAL 92 CO 0.45 0.46 0.18 -0.36 -3.33 0.00 0.00 175.10 172.49 3hbr s PHE 93 N -0.15 3.43 0.58 1.54 0.40 0.27 -4.97 117.98 119.09 3hbr s PHE 93 Ca 0.21 -1.98 -0.17 0.00 -0.60 0.00 0.00 56.93 54.38 3hbr s PHE 93 Cb -0.15 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 3hbr s PHE 93 CO 0.08 -0.89 1.09 0.15 0.70 0.00 0.00 175.22 176.35 3hbr s LYS 94 N 1.26 3.25 0.31 0.44 1.02 -1.26 -1.58 119.74 123.18 3hbr s LYS 94 Ca 0.03 1.40 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 3hbr s LYS 94 Cb -0.22 -2.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 3hbr s LYS 94 CO -0.01 -0.90 1.39 -0.46 -0.92 0.00 0.00 175.35 174.45 3hbr s TRP 95 N -2.15 2.94 -1.94 3.18 -0.00 -1.26 -4.88 118.94 114.84 3hbr s TRP 95 Ca 0.68 1.23 0.18 0.00 -0.00 0.00 0.00 56.10 58.18 3hbr s TRP 95 Cb -0.20 -3.80 1.04 0.00 -0.00 0.00 0.00 33.47 30.51 3hbr s TRP 95 CO 0.33 -2.38 1.47 -0.40 -0.00 0.00 0.00 176.95 175.96 3hbr n ASP 96 N 1.26 0.00 0.00 5.86 5.75 -1.26 -4.89 116.55 123.27 3hbr n ASP 96 Ca 0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 3hbr n ASP 96 Cb 0.41 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3hbr n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hbr n GLY 97 N 0.12 0.90 3.58 6.12 0.00 -1.26 -5.02 105.19 109.62 3hbr n GLY 97 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3hbr n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbr s GLN 98 N -0.04 3.82 0.03 1.61 -0.21 -1.26 -5.04 119.66 118.55 3hbr s GLN 98 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 3hbr s GLN 98 Cb 0.00 -3.73 -0.06 0.00 1.00 0.00 0.00 33.01 30.22 3hbr s GLN 98 CO 0.00 -0.48 1.34 0.99 -2.12 0.00 0.00 175.29 175.02 3hbr s THR 99 N 2.27 3.75 0.37 -0.19 2.01 -1.26 -4.90 115.64 117.68 3hbr s THR 99 Ca 0.18 1.18 0.08 0.00 0.31 0.00 0.00 61.69 63.44 3hbr s THR 99 Cb -0.16 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 3hbr s THR 99 CO 0.11 0.03 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.90 3hbr s ARG 100 N 1.90 1.85 0.32 4.92 0.52 -1.26 -5.05 118.95 122.15 3hbr s ARG 100 Ca 0.62 -2.00 0.13 0.00 -0.52 0.00 0.00 55.73 53.96 3hbr s ARG 100 Cb -0.31 -1.62 1.05 0.00 0.52 0.00 0.00 34.95 34.58 3hbr s ARG 100 CO 0.27 0.05 1.47 -0.40 0.02 0.00 0.00 175.30 176.71 3hbr n ASP 101 N -0.85 0.16 -4.27 0.23 5.75 -1.26 -4.16 116.55 112.16 3hbr n ASP 101 Ca -0.05 1.56 -0.42 0.00 -0.01 0.00 0.00 54.79 55.88 3hbr n ASP 101 Cb 0.65 -0.69 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 3hbr n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hbr s ILE 102 N -5.61 4.45 0.32 2.12 1.01 -1.26 -4.93 121.20 117.30 3hbr s ILE 102 Ca -0.10 -1.52 0.07 0.00 0.00 0.00 0.00 60.65 59.11 3hbr s ILE 102 Cb 0.30 -3.81 0.31 0.00 0.01 0.00 0.00 42.46 39.28 3hbr s ILE 102 CO 0.73 -0.66 1.82 0.00 0.00 0.00 0.00 174.94 176.83 3hbr h ALA 103 N 8.52 1.74 -0.42 9.38 0.00 -2.00 0.29 119.26 136.77 3hbr h ALA 103 Ca -0.24 0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3hbr h ALA 103 Cb 1.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hbr h ALA 103 CO 0.84 -0.06 0.41 1.15 0.00 0.00 0.00 179.25 181.60 3hbr h THR 104 N 0.76 0.44 0.00 0.00 2.02 -1.92 0.13 112.91 114.34 3hbr h THR 104 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 3hbr h THR 104 Cb 0.82 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3hbr h THR 104 CO -0.30 0.00 -0.01 0.79 0.37 0.00 0.00 175.52 176.37 3hbr n TRP 105 N -3.84 0.84 -1.56 3.16 7.02 0.10 -4.39 117.44 118.77 3hbr n TRP 105 Ca 0.07 0.24 -0.29 0.00 -1.02 0.00 0.00 57.50 56.51 3hbr n TRP 105 Cb 0.59 -0.90 -0.06 0.00 -2.42 0.00 0.00 31.31 28.53 3hbr n TRP 105 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3hbr n ASN 106 N -2.19 6.82 -3.75 -0.99 5.03 0.47 -4.83 115.26 115.82 3hbr n ASN 106 Ca 0.06 -3.09 -0.05 0.00 0.87 0.00 0.00 54.58 52.36 3hbr n ASN 106 Cb 0.42 -1.30 -0.02 0.00 -1.02 0.00 0.00 39.78 37.87 3hbr n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hbr s ARG 107 N -1.16 1.30 0.47 3.52 1.70 -1.26 -5.05 118.95 118.48 3hbr s ARG 107 Ca 0.59 -0.70 -0.22 0.00 -0.47 0.00 0.00 55.73 54.93 3hbr s ARG 107 Cb 0.32 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 35.08 3hbr s ARG 107 CO -0.16 -0.60 1.08 -0.51 -1.08 0.00 0.00 175.30 174.03 3hbr s ASP 108 N -2.89 6.31 0.03 -2.89 1.11 -1.26 -3.98 116.67 113.10 3hbr s ASP 108 Ca 0.11 2.07 0.00 0.00 0.18 0.00 0.00 52.55 54.92 3hbr s ASP 108 Cb -0.02 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3hbr s ASP 108 CO 0.02 -0.81 -0.04 -1.00 1.18 0.00 0.00 175.17 174.52 3hbr s HIS 109 N -1.77 0.42 0.54 4.23 3.76 -0.61 -4.94 115.29 116.92 3hbr s HIS 109 Ca 0.65 -0.63 0.07 0.00 -0.15 0.00 0.00 55.06 55.00 3hbr s HIS 109 Cb -0.21 -0.29 0.05 0.00 1.11 0.00 0.00 32.58 33.24 3hbr s HIS 109 CO 0.26 -0.19 0.51 0.54 -0.85 0.00 0.00 174.74 175.00 3hbr s ASN 110 N -1.79 4.78 0.33 1.40 6.03 -1.26 0.96 114.94 125.38 3hbr s ASN 110 Ca -0.10 -1.11 0.09 0.00 -1.03 0.00 0.00 52.86 50.71 3hbr s ASN 110 Cb -0.06 0.32 0.83 0.00 -3.03 0.00 0.00 41.25 39.31 3hbr s ASN 110 CO -0.02 -1.14 1.79 0.25 -2.03 0.00 0.00 177.10 175.95 3hbr h LEU 111 N 0.61 0.70 -0.21 3.54 5.85 -1.74 -1.36 115.31 122.69 3hbr h LEU 111 Ca -0.35 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3hbr h LEU 111 Cb 1.30 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hbr h LEU 111 CO 0.53 0.24 -0.22 0.40 -0.34 0.00 0.00 178.44 179.05 3hbr h ILE 112 N 0.67 1.33 0.01 4.05 1.08 -1.91 -2.31 117.51 120.43 3hbr h ILE 112 Ca 0.56 -1.38 -0.21 0.00 -0.39 0.00 0.00 64.86 63.44 3hbr h ILE 112 Cb 1.00 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 3hbr h ILE 112 CO -0.34 0.42 -0.93 0.71 -0.69 0.00 0.00 178.15 177.32 3hbr h THR 113 N 0.20 1.48 -0.41 -0.27 1.35 -1.88 -1.40 112.91 111.98 3hbr h THR 113 Ca 0.03 -2.63 -0.08 0.00 -0.55 0.00 0.00 66.41 63.17 3hbr h THR 113 Cb 0.77 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.67 3hbr h THR 113 CO 0.05 0.77 -0.09 0.00 -0.25 0.00 0.00 175.52 176.00 3hbr h ALA 114 N 0.88 1.07 0.15 6.62 0.00 -1.25 0.20 119.26 126.93 3hbr h ALA 114 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hbr h ALA 114 Cb 1.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hbr h ALA 114 CO 0.15 0.57 -0.07 1.98 0.00 0.00 0.00 179.25 181.88 3hbr h MET 115 N 0.65 -0.20 -0.99 0.00 -1.53 -1.38 0.14 114.93 111.63 3hbr h MET 115 Ca 0.12 0.01 0.24 0.00 -3.44 0.00 0.00 59.70 56.63 3hbr h MET 115 Cb 0.54 0.04 -0.18 0.00 -0.55 0.00 0.00 31.60 31.45 3hbr h MET 115 CO 0.03 0.24 -0.09 -0.22 0.14 0.00 0.00 176.91 177.01 3hbr h LYS 116 N -0.86 0.00 -0.63 0.39 3.64 -0.96 -0.29 116.57 117.87 3hbr h LYS 116 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hbr h LYS 116 Cb 0.53 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hbr h LYS 116 CO 0.03 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 3hbr n TYR 117 N -5.55 0.83 -3.73 1.91 4.01 0.67 -4.98 117.16 110.33 3hbr n TYR 117 Ca 0.20 -0.42 -0.28 0.00 -0.16 0.00 0.00 57.90 57.24 3hbr n TYR 117 Cb 0.64 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.70 3hbr n TYR 117 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hbr n SER 118 N 1.61 -3.72 -4.52 7.72 7.64 -0.12 -4.83 113.62 117.40 3hbr n SER 118 Ca 0.23 -0.98 -0.43 0.00 1.01 0.00 0.00 58.87 58.71 3hbr n SER 118 Cb 0.62 -3.46 -0.02 0.00 -1.01 0.00 0.00 64.21 60.33 3hbr n SER 118 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hbr s VAL 119 N -3.60 4.32 0.17 0.44 1.01 0.35 -4.90 120.40 118.19 3hbr s VAL 119 Ca 0.31 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 3hbr s VAL 119 Cb -0.11 -4.99 0.08 0.00 0.00 0.00 0.00 36.38 31.36 3hbr s VAL 119 CO 0.86 -1.80 1.60 0.58 0.00 0.00 0.00 175.10 176.33 3hbr h VAL 120 N 6.02 0.22 -0.42 2.92 2.07 -1.88 -2.36 116.25 122.82 3hbr h VAL 120 Ca 0.25 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.86 3hbr h VAL 120 Cb 0.97 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hbr h VAL 120 CO 1.33 0.00 0.29 1.55 0.02 0.00 0.00 177.57 180.75 3hbr h PRO 121 N -0.21 0.19 -0.27 1.57 0.13 -1.98 0.11 132.00 131.53 3hbr h PRO 121 Ca 0.19 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3hbr h PRO 121 Cb 0.54 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3hbr h PRO 121 CO -0.58 0.13 0.09 0.28 -0.23 0.00 0.00 178.00 177.68 3hbr h VAL 122 N 0.20 1.19 -0.04 1.56 2.07 -1.84 -2.89 116.25 116.50 3hbr h VAL 122 Ca 0.19 -0.62 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 3hbr h VAL 122 Cb 0.51 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3hbr h VAL 122 CO -0.03 0.21 -0.67 1.88 0.02 0.00 0.00 177.57 178.98 3hbr h TYR 123 N 0.28 0.23 -0.83 1.57 -1.99 -1.16 -2.80 116.97 112.27 3hbr h TYR 123 Ca 0.09 -0.10 0.03 0.00 2.00 0.00 0.00 58.73 60.75 3hbr h TYR 123 Cb 0.23 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.88 3hbr h TYR 123 CO 0.00 0.78 0.54 1.96 -0.00 0.00 0.00 178.16 181.45 3hbr h GLN 124 N 0.12 1.02 -0.42 4.88 4.20 -1.00 -0.56 115.11 123.35 3hbr h GLN 124 Ca -0.01 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3hbr h GLN 124 Cb 1.19 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 3hbr h GLN 124 CO 0.10 0.67 0.08 1.49 -0.67 0.00 0.00 178.83 180.50 3hbr h GLU 125 N 1.05 0.69 -0.39 1.46 4.57 -1.29 -1.22 114.58 119.45 3hbr h GLU 125 Ca 0.32 -0.18 0.08 0.00 -1.18 0.00 0.00 59.36 58.40 3hbr h GLU 125 Cb -0.01 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.42 3hbr h GLU 125 CO -0.09 0.72 -0.11 0.74 -1.18 0.00 0.00 179.01 179.09 3hbr h PHE 126 N 0.54 -0.24 -0.79 0.92 0.04 -1.18 -0.94 116.94 115.29 3hbr h PHE 126 Ca 0.13 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 3hbr h PHE 126 Cb 0.36 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 3hbr h PHE 126 CO 0.02 -0.18 0.39 0.00 -0.60 0.00 0.00 178.31 177.94 3hbr h ALA 127 N 1.36 1.19 -0.76 2.45 0.00 -0.77 0.13 119.26 122.86 3hbr h ALA 127 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hbr h ALA 127 Cb 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hbr h ALA 127 CO -0.41 0.62 0.32 0.00 0.00 0.00 0.00 179.25 179.79 3hbr h ARG 128 N 1.13 1.12 -0.01 0.00 3.08 -0.71 -0.81 114.38 118.18 3hbr h ARG 128 Ca 0.27 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 3hbr h ARG 128 Cb 0.10 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hbr h ARG 128 CO -0.04 0.90 -0.56 1.96 -1.07 0.00 0.00 179.97 181.16 3hbr h GLN 129 N 1.10 0.39 -0.29 0.04 4.20 -0.67 -3.30 115.11 116.58 3hbr h GLN 129 Ca 0.26 -0.41 0.07 0.00 0.06 0.00 0.00 58.65 58.62 3hbr h GLN 129 Cb 0.18 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3hbr h GLN 129 CO -0.02 1.08 -0.20 0.82 -0.67 0.00 0.00 178.83 179.84 3hbr h ILE 130 N -0.14 0.46 0.00 2.54 2.04 -0.62 -3.49 117.51 118.30 3hbr h ILE 130 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hbr h ILE 130 Cb 1.27 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3hbr h ILE 130 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3hbr n GLY 131 N -1.36 -1.24 0.18 5.37 0.00 -0.32 -4.29 105.19 103.53 3hbr n GLY 131 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 3hbr n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hbr h GLU 132 N 0.00 -0.02 0.16 1.61 4.81 -1.91 -1.00 114.58 118.23 3hbr h GLU 132 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hbr h GLU 132 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3hbr h GLU 132 CO 0.00 -0.01 -0.08 0.00 -0.73 0.00 0.00 179.01 178.19 3hbr h ALA 133 N 1.35 -0.21 -0.08 2.92 0.00 -2.00 -1.21 119.26 120.02 3hbr h ALA 133 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3hbr h ALA 133 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hbr h ALA 133 CO -0.41 -0.56 -0.35 0.00 0.00 0.00 0.00 179.25 177.92 3hbr h ARG 134 N -0.33 0.16 -0.11 0.00 3.08 -1.72 -2.51 114.38 112.95 3hbr h ARG 134 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3hbr h ARG 134 Cb 0.26 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hbr h ARG 134 CO 0.04 0.50 -0.03 1.98 -1.07 0.00 0.00 179.97 181.39 3hbr h MET 135 N 0.14 0.21 -0.43 0.04 4.05 -1.04 -2.61 114.93 115.29 3hbr h MET 135 Ca 0.02 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.41 3hbr h MET 135 Cb 0.69 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 3hbr h MET 135 CO 0.05 0.52 0.14 1.03 0.23 0.00 0.00 176.91 178.88 3hbr h SER 136 N -0.11 0.14 0.04 1.39 0.87 -1.11 -1.60 113.55 113.17 3hbr h SER 136 Ca 0.03 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hbr h SER 136 Cb 0.44 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3hbr h SER 136 CO 0.01 0.11 -0.02 0.50 -0.53 0.00 0.00 176.83 176.91 3hbr h LYS 137 N 0.30 -0.05 -0.51 2.24 3.64 -1.44 -1.41 116.57 119.34 3hbr h LYS 137 Ca 0.20 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3hbr h LYS 137 Cb 0.20 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3hbr h LYS 137 CO -0.21 -0.03 0.11 0.52 -2.27 0.00 0.00 179.45 177.56 3hbr h MET 138 N -0.05 0.24 -0.15 1.90 2.86 -1.36 0.10 114.93 118.46 3hbr h MET 138 Ca -0.01 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3hbr h MET 138 Cb 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3hbr h MET 138 CO 0.01 0.16 -0.39 -0.07 1.06 0.00 0.00 176.91 177.68 3hbr h LEU 139 N 0.24 0.34 -0.64 1.22 3.38 -1.10 0.95 115.31 119.72 3hbr h LEU 139 Ca 0.26 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3hbr h LEU 139 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3hbr h LEU 139 CO -0.33 0.70 0.04 -0.74 0.09 0.00 0.00 178.44 178.20 3hbr h HIS 140 N 0.28 1.19 -0.62 1.13 2.76 -0.77 -2.46 115.15 116.66 3hbr h HIS 140 Ca 0.03 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.00 3hbr h HIS 140 Cb 0.81 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 3hbr h HIS 140 CO 0.02 1.02 0.37 0.00 -1.30 0.00 0.00 177.93 178.04 3hbr h ALA 141 N 1.01 0.79 0.00 5.26 0.00 -0.41 -2.46 119.26 123.45 3hbr h ALA 141 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hbr h ALA 141 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hbr h ALA 141 CO 0.02 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.74 3hbr n PHE 142 N -4.60 0.20 -3.07 0.00 0.99 0.29 -4.83 117.46 106.45 3hbr n PHE 142 Ca 0.04 0.08 -0.22 0.00 -0.00 0.00 0.00 57.45 57.35 3hbr n PHE 142 Cb 0.06 -0.62 0.01 0.00 -1.00 0.00 0.00 39.48 37.93 3hbr n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3hbr n ASP 143 N -1.68 -4.98 -4.61 4.37 2.03 -0.93 -4.91 116.55 105.84 3hbr n ASP 143 Ca 0.03 -0.27 -0.43 0.00 0.52 0.00 0.00 54.79 54.65 3hbr n ASP 143 Cb 0.19 -4.07 -0.03 0.00 -0.72 0.00 0.00 41.12 36.49 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 -3.02 3.03 0.00 -0.67 6.14 -1.04 -4.92 117.35 116.87 3hbr s TYR 144 Ca 0.30 0.88 0.00 0.00 0.64 0.00 0.00 57.07 58.89 3hbr s TYR 144 Cb -0.14 -3.86 0.00 0.00 0.42 0.00 0.00 41.96 38.37 3hbr s TYR 144 CO 0.37 -0.92 0.00 0.41 0.64 0.00 0.00 175.55 176.04 3hbr n GLY 145 N 4.34 2.72 0.40 8.97 0.00 -1.26 -1.13 105.19 119.24 3hbr n GLY 145 Ca 0.10 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 1.68 1.23 -2.69 1.61 2.04 -0.54 -4.94 115.26 113.64 3hbr n ASN 146 Ca 0.00 -1.57 -0.12 0.00 -0.44 0.00 0.00 54.58 52.46 3hbr n ASN 146 Cb 0.00 -0.06 -0.01 0.00 -2.53 0.00 0.00 39.78 37.19 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 0.01 -2.63 -3.63 -3.83 1.02 -0.28 -4.94 120.64 106.36 3hbr n GLU 147 Ca 0.17 0.40 -0.36 0.00 -0.02 0.00 0.00 57.16 57.35 3hbr n GLU 147 Cb 0.27 -4.99 -0.09 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.18 6.22 -0.15 1.62 3.68 -1.26 -4.82 116.67 119.76 3hbr s ASP 148 Ca 0.10 0.24 0.17 0.00 2.13 0.00 0.00 52.55 55.18 3hbr s ASP 148 Cb -0.05 -2.13 0.33 0.00 -1.45 0.00 0.00 42.92 39.62 3hbr s ASP 148 CO 0.12 0.08 1.17 2.30 0.13 0.00 0.00 175.17 178.97 3hbr n ILE 149 N 4.04 1.98 -1.69 4.11 -5.35 -1.26 -2.60 119.36 118.58 3hbr n ILE 149 Ca -0.14 -2.51 -0.39 0.00 -0.27 0.00 0.00 62.75 59.44 3hbr n ILE 149 Cb 0.52 -0.24 0.04 0.00 -1.74 0.00 0.00 39.64 38.21 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 -1.35 2.03 0.00 7.28 3.41 -1.26 -4.59 113.62 119.14 3hbr n SER 150 Ca 0.17 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3hbr n SER 150 Cb 0.66 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 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 0.95 -1.04 3.90 5.00 0.00 -1.26 -1.77 105.19 110.97 3hbr n GLY 151 Ca 0.10 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3hbr n GLY 151 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hbr s ASN 152 N -4.00 6.27 0.25 1.61 2.47 -1.26 -4.95 114.94 115.33 3hbr s ASN 152 Ca 0.00 0.99 0.23 0.00 0.42 0.00 0.00 52.86 54.51 3hbr s ASN 152 Cb 0.00 -2.28 0.96 0.00 -1.45 0.00 0.00 41.25 38.49 3hbr s ASN 152 CO 0.00 -0.60 1.71 0.55 -3.72 0.00 0.00 177.10 175.03 3hbr n VAL 153 N -2.26 0.82 1.34 -5.21 3.14 -1.26 -2.50 118.33 112.40 3hbr n VAL 153 Ca 0.01 0.21 0.13 0.00 -2.96 0.00 0.00 64.34 61.74 3hbr n VAL 153 Cb 0.55 -1.14 0.40 0.00 -1.06 0.00 0.00 33.84 32.59 3hbr n VAL 153 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3hbr n ASP 154 N -2.21 1.69 -0.24 6.55 5.75 -1.26 -4.50 116.55 122.33 3hbr n ASP 154 Ca 0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hbr n ASP 154 Cb 0.23 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.20 0.00 0.29 -1.12 3.41 -1.20 -4.57 113.62 110.63 3hbr n SER 155 Ca 0.16 -0.96 0.18 0.00 -0.26 0.00 0.00 58.87 57.99 3hbr n SER 155 Cb 0.40 0.00 0.98 0.00 -0.26 0.00 0.00 64.21 65.33 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 -1.71 -0.97 116.94 121.59 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 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 3hbr h PHE 156 CO -0.14 0.00 -0.03 -2.67 -0.00 0.00 0.00 178.31 175.47 3hbr n TRP 157 N -3.53 0.00 -0.07 6.09 2.14 -1.26 -0.77 117.44 120.04 3hbr n TRP 157 Ca -0.02 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.48 3hbr n TRP 157 Cb 0.16 -0.28 -0.09 0.00 -0.81 0.00 0.00 31.31 30.29 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 -1.24 0.61 -0.52 5.67 4.32 -0.41 -1.33 117.00 124.08 3hbr n LEU 158 Ca 0.14 -0.02 -0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3hbr n LEU 158 Cb 0.26 0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 42.19 3hbr n LEU 158 CO 0.24 0.40 0.25 -0.90 -1.22 0.00 0.00 177.39 176.16 3hbr n ASP 159 N -2.56 -0.02 0.00 -1.43 5.68 -0.93 -4.42 116.55 112.86 3hbr n ASP 159 Ca -0.22 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 3hbr n ASP 159 Cb 0.88 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 3hbr n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbr n GLY 160 N 0.00 2.40 0.02 6.12 0.00 0.05 -4.93 105.19 108.86 3hbr n GLY 160 Ca -0.01 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.19 3.72 -0.02 0.00 -0.73 -4.94 105.19 107.03 3hbr n GLY 161 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.10 2.48 -0.03 -0.61 1.10 -1.07 -4.81 121.20 115.16 3hbr s ILE 162 Ca 0.07 0.35 -0.03 0.00 -0.51 0.00 0.00 60.65 60.53 3hbr s ILE 162 Cb 0.16 -3.23 0.01 0.00 0.15 0.00 0.00 42.46 39.55 3hbr s ILE 162 CO 0.78 0.03 0.08 -0.13 -2.11 0.00 0.00 174.94 173.59 3hbr s ARG 163 N 0.88 0.09 -0.10 3.50 1.81 -1.26 -4.25 118.95 119.62 3hbr s ARG 163 Ca 0.69 0.13 -0.09 0.00 -1.72 0.00 0.00 55.73 54.74 3hbr s ARG 163 Cb -0.45 0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.10 3hbr s ARG 163 CO 0.34 -0.03 0.26 -1.50 -0.68 0.00 0.00 175.30 173.69 3hbr s ILE 164 N 0.15 0.00 0.45 1.52 2.07 0.23 -1.47 121.20 124.16 3hbr s ILE 164 Ca -0.01 -0.03 0.08 0.00 -1.41 0.00 0.00 60.65 59.29 3hbr s ILE 164 Cb -0.02 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.21 3hbr s ILE 164 CO -0.00 -0.02 0.58 -0.94 -1.91 0.00 0.00 174.94 172.65 3hbr s SER 165 N 0.07 5.44 0.12 4.50 1.04 -1.26 -0.34 113.70 123.27 3hbr s SER 165 Ca -0.01 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.65 3hbr s SER 165 Cb -0.02 -0.43 -0.05 0.00 0.10 0.00 0.00 66.02 65.62 3hbr s SER 165 CO 0.00 -0.87 1.75 0.00 0.98 0.00 0.00 173.24 175.10 3hbr h ALA 166 N 0.60 0.21 -0.69 5.32 0.00 -1.67 -0.02 119.26 123.01 3hbr h ALA 166 Ca -0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3hbr h ALA 166 Cb 1.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3hbr h ALA 166 CO 0.46 -0.36 0.38 1.79 0.00 0.00 0.00 179.25 181.52 3hbr h THR 167 N 0.16 1.22 -0.27 0.00 1.35 -1.76 -1.69 112.91 111.92 3hbr h THR 167 Ca 0.08 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 3hbr h THR 167 Cb 0.04 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 3hbr h THR 167 CO -0.08 0.24 0.13 -0.33 -0.25 0.00 0.00 175.52 175.23 3hbr h GLU 168 N 0.95 0.37 -0.09 4.72 5.08 -1.76 -1.87 114.58 121.99 3hbr h GLU 168 Ca 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hbr h GLU 168 Cb 0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hbr h GLU 168 CO -0.04 0.29 0.04 1.96 -1.00 0.00 0.00 179.01 180.27 3hbr h GLN 169 N 0.38 0.12 -0.54 2.33 1.08 -0.46 -2.22 115.11 115.80 3hbr h GLN 169 Ca 0.10 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 3hbr h GLN 169 Cb 0.04 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3hbr h GLN 169 CO -0.01 0.19 0.30 0.82 -0.95 0.00 0.00 178.83 179.18 3hbr h ILE 170 N 0.03 1.01 -0.72 2.54 2.04 -1.00 -1.07 117.51 120.33 3hbr h ILE 170 Ca 0.03 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3hbr h ILE 170 Cb 0.10 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3hbr h ILE 170 CO -0.00 0.11 0.46 0.28 0.00 0.00 0.00 178.15 179.00 3hbr h SER 171 N 0.59 0.79 -0.15 1.72 0.02 -1.30 -0.53 113.55 114.69 3hbr h SER 171 Ca 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3hbr h SER 171 Cb 0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3hbr h SER 171 CO -0.13 0.56 0.04 0.15 -1.14 0.00 0.00 176.83 176.31 3hbr h PHE 172 N 0.93 0.24 -0.87 3.45 3.04 -1.09 -2.96 116.94 119.67 3hbr h PHE 172 Ca 0.27 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 3hbr h PHE 172 Cb -0.06 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 3hbr h PHE 172 CO -0.03 0.36 0.51 -0.07 -2.02 0.00 0.00 178.31 177.06 3hbr h LEU 173 N 0.05 1.06 -0.83 0.59 3.38 -0.99 -1.38 115.31 117.19 3hbr h LEU 173 Ca 0.05 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hbr h LEU 173 Cb 0.24 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3hbr h LEU 173 CO -0.00 0.83 0.49 0.03 0.09 0.00 0.00 178.44 179.88 3hbr h ARG 174 N 1.21 0.84 -0.40 1.13 3.08 -1.10 0.88 114.38 120.02 3hbr h ARG 174 Ca 0.31 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3hbr h ARG 174 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3hbr h ARG 174 CO -0.06 0.55 0.18 0.87 -1.07 0.00 0.00 179.97 180.45 3hbr h LYS 175 N 0.86 0.58 0.11 0.04 1.57 -1.25 -2.14 116.57 116.34 3hbr h LYS 175 Ca 0.38 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3hbr h LYS 175 Cb 0.27 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3hbr h LYS 175 CO -0.21 0.52 -0.28 1.25 -0.57 0.00 0.00 179.45 180.16 3hbr h LEU 176 N 0.50 -0.81 -0.79 2.94 5.85 -0.97 0.71 115.31 122.74 3hbr h LEU 176 Ca 0.13 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.12 3hbr h LEU 176 Cb 0.14 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 3hbr h LEU 176 CO -0.01 -0.37 0.25 0.22 -0.34 0.00 0.00 178.44 178.19 3hbr h TYR 177 N -0.49 0.41 -0.31 1.25 3.20 -0.75 -1.44 116.97 118.84 3hbr h TYR 177 Ca 0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hbr h TYR 177 Cb 0.53 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3hbr h TYR 177 CO -0.26 -0.05 0.00 0.72 -1.64 0.00 0.00 178.16 176.93 3hbr n HIS 178 N -5.10 0.72 -2.05 -3.82 8.25 -0.81 -4.90 115.22 107.50 3hbr n HIS 178 Ca 0.16 -0.28 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 3hbr n HIS 178 Cb 0.50 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 0.40 -4.14 0.04 0.41 3.02 -0.54 -4.87 115.26 109.58 3hbr n ASN 179 Ca 0.12 0.22 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 3hbr n ASN 179 Cb 0.49 -3.61 0.23 0.00 -0.61 0.00 0.00 39.78 36.29 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 -2.51 0.18 -1.65 3.52 5.02 0.20 -4.88 118.16 118.03 3hbr n LYS 180 Ca -0.16 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 3hbr n LYS 180 Cb 0.57 -1.62 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 -3.76 3.35 -1.30 -0.35 1.43 -1.24 -4.90 118.68 111.92 3hbr s LEU 181 Ca 0.08 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 3hbr s LEU 181 Cb 0.15 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.97 3hbr s LEU 181 CO 0.70 -1.80 1.96 1.41 0.23 0.00 0.00 176.35 178.85 3hbr n HIS 182 N -2.55 2.90 -4.16 0.29 8.25 -1.26 -4.75 115.22 113.93 3hbr n HIS 182 Ca 0.11 -2.80 -0.14 0.00 -0.26 0.00 0.00 57.72 54.63 3hbr n HIS 182 Cb 0.52 -1.96 -0.07 0.00 1.12 0.00 0.00 29.99 29.59 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 0.33 0.00 0.52 1.59 -7.23 -1.26 -5.01 120.40 109.34 3hbr s VAL 183 Ca 0.42 -1.81 -0.20 0.00 -1.81 0.00 0.00 61.98 58.58 3hbr s VAL 183 Cb 0.11 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 3hbr s VAL 183 CO -0.01 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.93 3hbr s SER 184 N -3.22 5.99 0.30 4.85 1.04 -1.26 -4.88 113.70 116.52 3hbr s SER 184 Ca 0.35 2.06 0.03 0.00 0.48 0.00 0.00 55.95 58.87 3hbr s SER 184 Cb 0.03 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.20 3hbr s SER 184 CO 0.18 -1.03 1.85 -0.08 0.98 0.00 0.00 173.24 175.14 3hbr h GLU 185 N 1.33 0.89 -0.14 4.02 4.81 -1.92 -1.62 114.58 121.95 3hbr h GLU 185 Ca -0.50 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3hbr h GLU 185 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3hbr h GLU 185 CO 0.58 0.59 0.09 -0.09 -0.73 0.00 0.00 179.01 179.44 3hbr h ARG 186 N 0.91 0.19 -0.79 1.92 2.43 -1.99 0.81 114.38 117.86 3hbr h ARG 186 Ca 0.48 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.70 3hbr h ARG 186 Cb 0.55 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3hbr h ARG 186 CO -0.25 0.16 0.48 0.77 -1.51 0.00 0.00 179.97 179.62 3hbr h SER 187 N 0.17 0.73 0.12 -3.80 0.02 -1.70 0.56 113.55 109.66 3hbr h SER 187 Ca 0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3hbr h SER 187 Cb 0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3hbr h SER 187 CO -0.01 0.47 -0.06 1.56 -1.14 0.00 0.00 176.83 177.65 3hbr h GLN 188 N 0.87 -0.16 -0.55 3.45 4.20 -0.83 -1.73 115.11 120.36 3hbr h GLN 188 Ca 0.35 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.17 3hbr h GLN 188 Cb 0.19 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 3hbr h GLN 188 CO -0.18 -0.05 0.13 0.00 -0.67 0.00 0.00 178.83 178.06 3hbr h ARG 189 N -0.23 0.27 -0.44 1.46 3.08 -0.50 -0.92 114.38 117.10 3hbr h ARG 189 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hbr h ARG 189 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3hbr h ARG 189 CO 0.03 0.18 0.25 0.82 -1.07 0.00 0.00 179.97 180.17 3hbr h ILE 190 N 0.27 1.15 -0.57 2.04 2.04 -0.75 0.03 117.51 121.73 3hbr h ILE 190 Ca 0.28 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3hbr h ILE 190 Cb 0.38 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3hbr h ILE 190 CO -0.35 0.16 -0.03 0.58 0.00 0.00 0.00 178.15 178.51 3hbr h VAL 191 N 0.58 1.26 -0.27 1.67 2.07 -1.16 -1.21 116.25 119.19 3hbr h VAL 191 Ca 0.16 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3hbr h VAL 191 Cb 0.03 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3hbr h VAL 191 CO -0.03 0.42 0.06 0.11 0.02 0.00 0.00 177.57 178.15 3hbr h LYS 192 N 0.92 0.38 0.28 1.57 1.57 -0.62 -0.33 116.57 120.33 3hbr h LYS 192 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3hbr h LYS 192 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hbr h LYS 192 CO 0.03 0.36 -0.13 0.37 -0.57 0.00 0.00 179.45 179.51 3hbr h GLN 193 N 0.38 -0.36 0.00 3.15 4.15 -0.43 -2.81 115.11 119.19 3hbr h GLN 193 Ca 0.09 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3hbr h GLN 193 Cb 0.16 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3hbr h GLN 193 CO -0.00 -0.17 -0.01 0.00 -1.93 0.00 0.00 178.83 176.71 3hbr h ALA 194 N 0.23 1.19 0.00 3.38 0.00 -0.48 -1.59 119.26 121.99 3hbr h ALA 194 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hbr h ALA 194 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hbr h ALA 194 CO 0.06 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 3hbr n MET 195 N -3.38 0.21 -1.69 0.00 2.81 -0.20 -4.64 117.12 110.24 3hbr n MET 195 Ca -0.03 0.27 -0.43 0.00 -1.81 0.00 0.00 57.70 55.70 3hbr n MET 195 Cb 0.10 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.79 3hbr n MET 195 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hbr n LEU 196 N -2.16 4.01 -0.02 4.03 7.94 -0.60 -0.47 117.00 129.73 3hbr n LEU 196 Ca 0.04 0.98 -0.03 0.00 -1.11 0.00 0.00 56.01 55.89 3hbr n LEU 196 Cb 0.35 -1.53 -0.02 0.00 0.53 0.00 0.00 43.42 42.75 3hbr n LEU 196 CO 0.26 0.16 -0.63 0.41 -1.11 0.00 0.00 177.39 176.47 3hbr n THR 197 N 4.80 0.23 -3.68 1.96 -1.04 -0.08 -4.90 114.28 111.56 3hbr n THR 197 Ca 0.18 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 3hbr n THR 197 Cb 0.37 -0.87 -0.09 0.00 -1.82 0.00 0.00 70.33 67.92 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 -2.08 0.63 -0.05 -2.82 2.12 -1.00 -5.00 118.70 110.50 3hbr s GLU 198 Ca -0.05 0.80 -0.12 0.00 0.36 0.00 0.00 54.97 55.95 3hbr s GLU 198 Cb 0.02 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.70 3hbr s GLU 198 CO 0.09 -0.09 0.29 0.00 -0.54 0.00 0.00 175.26 175.01 3hbr s ALA 199 N 0.47 -0.73 0.00 6.30 0.00 -1.26 0.16 121.76 126.69 3hbr s ALA 199 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3hbr s ALA 199 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3hbr s ALA 199 CO -0.02 -0.21 0.00 0.27 0.00 0.00 0.00 175.76 175.80 3hbr n ASN 200 N 1.96 0.00 0.00 0.00 0.23 -0.21 -5.01 115.26 112.23 3hbr n ASN 200 Ca -0.18 -0.16 0.11 0.00 -0.53 0.00 0.00 54.58 53.82 3hbr n ASN 200 Cb 0.57 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.79 3hbr n ASN 200 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hbr n GLY 201 N 0.00 -1.15 0.10 4.83 0.00 -1.26 -3.73 105.19 103.98 3hbr n GLY 201 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.39 0.36 -3.66 1.61 8.00 -1.26 -5.06 116.55 115.14 3hbr n ASP 202 Ca 0.08 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.50 3hbr n ASP 202 Cb 0.22 0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.47 -0.27 -0.08 1.24 -0.85 -1.24 -4.77 117.35 108.90 3hbr s TYR 203 Ca -0.12 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 3hbr s TYR 203 Cb 0.06 0.62 0.01 0.00 0.38 0.00 0.00 41.96 43.03 3hbr s TYR 203 CO 0.78 -0.88 -0.16 0.42 -1.52 0.00 0.00 175.55 174.18 3hbr s ILE 204 N -3.51 1.48 -0.23 -3.49 1.01 -0.78 -1.05 121.20 114.64 3hbr s ILE 204 Ca 0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 3hbr s ILE 204 Cb -0.02 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3hbr s ILE 204 CO -0.02 0.43 0.03 -0.63 0.00 0.00 0.00 174.94 174.76 3hbr s ILE 205 N 0.62 4.10 -0.18 2.92 1.01 0.42 -0.30 121.20 129.78 3hbr s ILE 205 Ca -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3hbr s ILE 205 Cb -0.16 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3hbr s ILE 205 CO 0.04 0.38 -0.05 -0.13 0.00 0.00 0.00 174.94 175.19 3hbr s ARG 206 N 1.33 3.50 0.24 2.79 0.52 -0.90 -0.91 118.95 125.53 3hbr s ARG 206 Ca 0.05 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.44 3hbr s ARG 206 Cb -0.15 -2.91 0.03 0.00 0.52 0.00 0.00 34.95 32.45 3hbr s ARG 206 CO 0.02 0.05 0.79 0.00 0.02 0.00 0.00 175.30 176.18 3hbr s ALA 207 N 0.85 -1.34 -0.08 2.13 0.00 0.39 -0.57 121.76 123.14 3hbr s ALA 207 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3hbr s ALA 207 Cb -0.15 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.80 3hbr s ALA 207 CO 0.01 -1.04 0.19 0.21 0.00 0.00 0.00 175.76 175.13 3hbr s LYS 208 N -3.72 0.15 0.44 0.00 2.47 0.95 -4.70 119.74 115.33 3hbr s LYS 208 Ca 0.11 0.42 -0.09 0.00 -1.56 0.00 0.00 55.97 54.86 3hbr s LYS 208 Cb -0.05 -0.13 -0.05 0.00 -1.46 0.00 0.00 37.83 36.14 3hbr s LYS 208 CO 0.06 -0.15 0.78 0.95 0.16 0.00 0.00 175.35 177.15 3hbr s THR 209 N 1.09 4.82 0.03 3.43 -4.23 -1.26 -1.36 115.64 118.15 3hbr s THR 209 Ca -0.08 0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 3hbr s THR 209 Cb -0.10 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.98 3hbr s THR 209 CO -0.06 -0.64 0.31 -0.83 -0.54 0.00 0.00 174.62 172.85 3hbr s GLY 210 N -3.47 -0.13 -0.23 3.99 0.00 -0.56 -3.32 107.32 103.60 3hbr s GLY 210 Ca 0.50 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 45.28 3hbr s GLY 210 CO 0.36 -0.13 0.22 -0.47 0.00 0.00 0.00 173.10 173.08 3hbr s TYR 211 N -2.24 -0.21 -0.33 1.90 6.04 -1.26 -0.12 117.35 121.14 3hbr s TYR 211 Ca -0.07 -0.04 -0.18 0.00 0.04 0.00 0.00 57.07 56.82 3hbr s TYR 211 Cb -0.02 -0.48 -0.01 0.00 -1.04 0.00 0.00 41.96 40.41 3hbr s TYR 211 CO -0.01 -0.69 0.50 0.45 -1.54 0.00 0.00 175.55 174.25 3hbr s SER 212 N 2.29 6.33 -0.01 4.32 0.15 -0.35 -4.69 113.70 121.74 3hbr s SER 212 Ca 0.07 0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.84 3hbr s SER 212 Cb -0.15 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 61.82 3hbr s SER 212 CO -0.19 -0.43 0.10 0.35 1.20 0.00 0.00 173.24 174.27 3hbr n THR 213 N 5.36 0.01 0.92 6.45 -2.24 -1.26 -1.93 114.28 121.59 3hbr n THR 213 Ca -0.05 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3hbr n THR 213 Cb 0.49 0.36 0.47 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.68 0.06 -3.82 -0.78 1.74 -1.26 -4.79 116.66 106.13 3hbr n ARG 214 Ca -0.01 0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 3hbr n ARG 214 Cb 0.14 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.90 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 -3.03 0.01 0.37 0.55 1.01 -1.26 -5.02 121.20 113.83 3hbr s ILE 215 Ca 0.12 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 3hbr s ILE 215 Cb 0.17 -0.27 -0.10 0.00 0.01 0.00 0.00 42.46 42.27 3hbr s ILE 215 CO 0.59 -0.04 0.89 -1.61 0.00 0.00 0.00 174.94 174.77 3hbr s GLU 216 N -0.07 4.26 0.12 2.79 0.41 -1.26 -3.94 118.70 121.02 3hbr s GLU 216 Ca -0.02 1.06 -0.18 0.00 -0.41 0.00 0.00 54.97 55.42 3hbr s GLU 216 Cb -0.02 -2.42 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 3hbr s GLU 216 CO 0.00 0.11 0.60 -1.25 -0.49 0.00 0.00 175.26 174.23 3hbr s PRO 217 N -2.80 4.17 0.23 0.39 0.04 -1.26 -5.10 135.00 130.67 3hbr s PRO 217 Ca 0.56 0.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 3hbr s PRO 217 Cb -0.12 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 3hbr s PRO 217 CO 0.17 0.55 1.53 0.15 0.04 0.00 0.00 177.00 179.44 3hbr s LYS 218 N -1.48 4.21 -0.02 4.56 1.02 -1.25 -4.93 119.74 121.85 3hbr s LYS 218 Ca 0.34 2.41 -0.04 0.00 0.02 0.00 0.00 55.97 58.70 3hbr s LYS 218 Cb -0.18 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3hbr s LYS 218 CO 0.20 -0.55 0.09 0.96 -0.92 0.00 0.00 175.35 175.12 3hbr s ILE 219 N 0.42 0.04 0.00 2.17 -4.36 -0.81 -0.58 121.20 118.09 3hbr s ILE 219 Ca 0.65 -0.35 -0.03 0.00 -0.26 0.00 0.00 60.65 60.66 3hbr s ILE 219 Cb -0.44 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 42.98 3hbr s ILE 219 CO 0.40 -0.19 0.20 -0.83 0.24 0.00 0.00 174.94 174.75 3hbr s GLY 220 N -0.61 2.19 0.13 6.27 0.00 0.30 -1.21 107.32 114.39 3hbr s GLY 220 Ca -0.07 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 43.98 3hbr s GLY 220 CO 0.00 -0.66 -0.17 0.86 0.00 0.00 0.00 173.10 173.14 3hbr s TRP 221 N -1.36 2.54 -0.12 1.90 -0.11 0.83 -1.01 118.94 121.62 3hbr s TRP 221 Ca 0.29 -0.26 -0.04 0.00 1.22 0.00 0.00 56.10 57.31 3hbr s TRP 221 Cb -0.13 -1.32 0.06 0.00 -1.50 0.00 0.00 33.47 30.58 3hbr s TRP 221 CO 0.20 0.42 0.18 -0.46 -4.62 0.00 0.00 176.95 172.67 3hbr s TRP 222 N -1.28 -0.20 0.05 5.86 -0.00 -0.78 -1.49 118.94 121.09 3hbr s TRP 222 Ca 0.19 0.49 0.03 0.00 -0.00 0.00 0.00 56.10 56.82 3hbr s TRP 222 Cb -0.10 -0.29 -0.02 0.00 -0.00 0.00 0.00 33.47 33.05 3hbr s TRP 222 CO 0.11 -0.38 -0.10 0.14 -0.00 0.00 0.00 176.95 176.72 3hbr s VAL 223 N 2.30 0.78 -0.80 5.86 -7.23 -0.46 -0.90 120.40 119.95 3hbr s VAL 223 Ca 0.04 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3hbr s VAL 223 Cb -0.13 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.02 3hbr s VAL 223 CO -0.08 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3hbr n GLY 224 N 1.52 -0.45 3.42 2.32 0.00 -0.08 -0.03 105.19 111.89 3hbr n GLY 224 Ca -0.21 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.00 0.10 -0.22 1.61 -2.14 0.27 -0.89 118.94 113.67 3hbr s TRP 225 Ca 0.00 -0.46 -0.00 0.00 2.66 0.00 0.00 56.10 58.30 3hbr s TRP 225 Cb 0.00 0.18 0.02 0.00 -3.10 0.00 0.00 33.47 30.58 3hbr s TRP 225 CO 0.00 -0.81 -0.12 0.54 -2.66 0.00 0.00 176.95 173.90 3hbr s VAL 226 N -3.91 2.52 -0.16 -0.66 0.11 0.74 -2.12 120.40 116.92 3hbr s VAL 226 Ca 0.12 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.98 3hbr s VAL 226 Cb 0.01 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 3hbr s VAL 226 CO -0.02 0.32 0.43 -1.61 -3.33 0.00 0.00 175.10 170.89 3hbr s GLU 227 N 1.30 4.27 0.34 1.54 2.02 0.59 -1.50 118.70 127.25 3hbr s GLU 227 Ca 0.01 0.33 0.08 0.00 0.02 0.00 0.00 54.97 55.42 3hbr s GLU 227 Cb -0.15 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 3hbr s GLU 227 CO -0.08 0.08 0.11 -0.51 0.02 0.00 0.00 175.26 174.88 3hbr s LEU 228 N 0.92 3.18 0.29 1.80 1.43 -0.65 -1.87 118.68 123.78 3hbr s LEU 228 Ca 0.22 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3hbr s LEU 228 Cb -0.15 -1.63 0.66 0.00 0.03 0.00 0.00 46.19 45.11 3hbr s LEU 228 CO 0.09 -0.28 1.61 0.44 0.23 0.00 0.00 176.35 178.43 3hbr h ASP 229 N 1.62 -0.29 0.00 2.29 3.32 -1.97 -3.19 116.42 118.19 3hbr h ASP 229 Ca -0.43 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3hbr h ASP 229 Cb 1.25 0.38 -0.04 0.00 0.22 0.00 0.00 39.33 41.14 3hbr h ASP 229 CO 0.64 -0.25 -0.34 -0.90 -1.72 0.00 0.00 179.24 176.67 3hbr n ASP 230 N -5.37 1.48 -3.59 6.45 5.75 -1.26 -5.08 116.55 114.93 3hbr n ASP 230 Ca 0.20 -2.85 -0.07 0.00 -0.01 0.00 0.00 54.79 52.06 3hbr n ASP 230 Cb 0.67 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 3hbr n ASP 230 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3hbr s ASN 231 N -2.38 -0.30 -0.02 -1.12 3.04 -1.21 -4.95 114.94 108.01 3hbr s ASN 231 Ca 0.25 -0.14 0.01 0.00 0.04 0.00 0.00 52.86 53.02 3hbr s ASN 231 Cb 0.24 0.42 0.01 0.00 -1.54 0.00 0.00 41.25 40.38 3hbr s ASN 231 CO -0.02 -0.71 -0.02 0.54 -3.04 0.00 0.00 177.10 173.85 3hbr s VAL 232 N -3.16 0.25 -0.21 -5.21 0.11 -1.26 -1.64 120.40 109.28 3hbr s VAL 232 Ca 0.08 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3hbr s VAL 232 Cb -0.01 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3hbr s VAL 232 CO -0.05 0.12 -0.12 0.26 -3.33 0.00 0.00 175.10 171.99 3hbr s TRP 233 N 0.53 2.89 0.13 1.54 0.52 -0.56 -1.99 118.94 122.01 3hbr s TRP 233 Ca -0.05 -1.34 -0.18 0.00 0.02 0.00 0.00 56.10 54.54 3hbr s TRP 233 Cb -0.08 -2.02 -0.07 0.00 -1.15 0.00 0.00 33.47 30.15 3hbr s TRP 233 CO -0.01 -0.69 0.61 -0.06 0.02 0.00 0.00 176.95 176.82 3hbr s PHE 234 N 1.37 3.73 0.08 -1.98 0.40 0.16 -0.19 117.98 121.55 3hbr s PHE 234 Ca 0.05 1.26 0.03 0.00 -0.60 0.00 0.00 56.93 57.66 3hbr s PHE 234 Cb -0.14 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.85 3hbr s PHE 234 CO -0.08 0.49 -0.08 -0.59 0.70 0.00 0.00 175.22 175.66 3hbr s PHE 235 N -1.30 0.88 -0.19 0.36 -0.12 -0.07 0.06 117.98 117.61 3hbr s PHE 235 Ca 0.35 -0.68 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 3hbr s PHE 235 Cb -0.18 -0.50 0.08 0.00 -0.63 0.00 0.00 43.02 41.79 3hbr s PHE 235 CO 0.20 -0.08 0.42 0.00 -0.05 0.00 0.00 175.22 175.71 3hbr s ALA 236 N -2.44 -1.12 0.15 1.99 0.00 -0.81 -0.90 121.76 118.64 3hbr s ALA 236 Ca 0.02 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3hbr s ALA 236 Cb -0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3hbr s ALA 236 CO -0.01 -0.61 -0.18 0.00 0.00 0.00 0.00 175.76 174.96 3hbr s MET 237 N 2.26 1.22 0.09 0.00 0.23 -0.08 -1.53 119.30 121.48 3hbr s MET 237 Ca -0.04 -1.36 -0.02 0.00 -1.03 0.00 0.00 55.69 53.24 3hbr s MET 237 Cb -0.11 -1.26 -0.04 0.00 -1.53 0.00 0.00 34.83 31.90 3hbr s MET 237 CO -0.13 0.26 0.03 0.54 -2.03 0.00 0.00 175.02 173.69 3hbr s ASN 238 N -2.58 0.38 -0.00 -1.18 2.20 -0.84 -1.87 114.94 111.04 3hbr s ASN 238 Ca 0.14 -1.03 -0.18 0.00 -0.94 0.00 0.00 52.86 50.85 3hbr s ASN 238 Cb -0.06 0.25 0.03 0.00 -2.00 0.00 0.00 41.25 39.48 3hbr s ASN 238 CO 0.06 -0.67 0.38 0.00 -2.94 0.00 0.00 177.10 173.93 3hbr s MET 239 N -3.96 0.78 0.27 3.55 0.23 -0.18 -0.85 119.30 119.15 3hbr s MET 239 Ca 0.13 -0.18 -0.30 0.00 -1.03 0.00 0.00 55.69 54.31 3hbr s MET 239 Cb 0.07 0.35 -0.11 0.00 -1.53 0.00 0.00 34.83 33.62 3hbr s MET 239 CO -0.06 -0.23 1.52 -0.51 -2.03 0.00 0.00 175.02 173.71 3hbr s ASP 240 N -1.49 6.51 -0.41 -1.18 1.01 -0.84 -0.54 116.67 119.73 3hbr s ASP 240 Ca -0.11 2.81 0.07 0.00 0.71 0.00 0.00 52.55 56.03 3hbr s ASP 240 Cb -0.03 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.50 3hbr s ASP 240 CO 0.03 -0.81 0.50 0.80 0.21 0.00 0.00 175.17 175.90 3hbr n MET 241 N 2.32 0.75 0.22 8.23 1.56 0.26 -4.75 117.12 125.70 3hbr n MET 241 Ca 0.08 -3.33 0.15 0.00 -0.27 0.00 0.00 57.70 54.34 3hbr n MET 241 Cb 0.39 -1.38 0.67 0.00 2.15 0.00 0.00 33.22 35.05 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 4.33 0.00 -4.26 2.12 0.13 -1.93 -3.40 132.00 128.99 3hbr h PRO 242 Ca 0.12 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.06 3hbr h PRO 242 Cb 0.87 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.81 3hbr h PRO 242 CO 0.47 0.00 -0.70 0.99 -0.23 0.00 0.00 178.00 178.53 3hbr s THR 243 N -3.59 0.31 -1.93 1.56 2.01 -1.26 -5.04 115.64 107.69 3hbr s THR 243 Ca 0.01 -1.28 0.28 0.00 0.31 0.00 0.00 61.69 61.01 3hbr s THR 243 Cb 0.09 -0.80 0.75 0.00 0.01 0.00 0.00 72.50 72.55 3hbr s THR 243 CO 0.44 -0.63 1.99 -1.54 -0.69 0.00 0.00 174.62 174.18 3hbr n SER 244 N 1.03 0.00 -0.17 3.53 3.41 -1.26 -3.27 113.62 116.90 3hbr n SER 244 Ca -0.20 -0.77 0.05 0.00 -0.26 0.00 0.00 58.87 57.69 3hbr n SER 244 Cb 0.57 -0.04 0.34 0.00 -0.26 0.00 0.00 64.21 64.82 3hbr n SER 244 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hbr h ASP 245 N 0.00 0.68 -0.41 4.04 3.32 -1.97 -3.27 116.42 118.82 3hbr h ASP 245 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hbr h ASP 245 Cb 0.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3hbr h ASP 245 CO 0.00 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.59 3hbr n GLY 246 N -1.45 1.82 0.27 2.75 0.00 -1.20 -4.47 105.19 102.91 3hbr n GLY 246 Ca 0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 2.57 0.93 -2.54 0.99 3.38 -1.82 -2.55 115.31 116.27 3hbr h LEU 247 Ca 0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hbr h LEU 247 Cb 1.04 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hbr h LEU 247 CO 0.16 1.14 -0.02 1.23 0.09 0.00 0.00 178.44 181.04 3hbr h GLY 248 N 0.89 0.00 2.00 0.83 0.00 -1.88 -2.22 103.07 102.69 3hbr h GLY 248 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3hbr h GLY 248 CO 0.07 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.02 3hbr h LEU 249 N 0.00 0.00 0.05 3.11 3.38 -1.79 -2.95 115.31 117.11 3hbr h LEU 249 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hbr h LEU 249 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hbr h LEU 249 CO 0.00 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.38 3hbr h ARG 250 N 0.00 -0.30 -0.21 1.13 3.08 -1.55 -1.32 114.38 115.20 3hbr h ARG 250 Ca 0.00 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3hbr h ARG 250 Cb 0.40 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hbr h ARG 250 CO 0.00 -0.20 -0.19 1.96 -1.07 0.00 0.00 179.97 180.47 3hbr h GLN 251 N -0.31 0.51 -0.21 0.04 7.50 -1.76 -2.59 115.11 118.28 3hbr h GLN 251 Ca 0.04 -0.26 0.03 0.00 0.50 0.00 0.00 58.65 58.96 3hbr h GLN 251 Cb 0.36 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 3hbr h GLN 251 CO -0.14 0.83 0.05 0.00 -1.50 0.00 0.00 178.83 178.07 3hbr h ALA 252 N 0.66 0.22 0.02 3.87 0.00 -1.49 0.17 119.26 122.71 3hbr h ALA 252 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbr h ALA 252 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hbr h ALA 252 CO 0.05 -0.38 -0.01 0.82 0.00 0.00 0.00 179.25 179.73 3hbr h ILE 253 N 0.13 1.21 -0.61 0.00 2.04 -1.29 -2.05 117.51 116.94 3hbr h ILE 253 Ca 0.09 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.35 3hbr h ILE 253 Cb 0.08 1.70 -0.11 0.00 -0.74 0.00 0.00 36.82 37.75 3hbr h ILE 253 CO -0.12 0.19 -0.11 0.74 0.00 0.00 0.00 178.15 178.84 3hbr h THR 254 N -0.35 0.41 -0.77 -0.27 2.02 -1.28 -0.41 112.91 112.26 3hbr h THR 254 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hbr h THR 254 Cb 0.33 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3hbr h THR 254 CO 0.01 0.00 0.44 0.11 0.37 0.00 0.00 175.52 176.45 3hbr h LYS 255 N 0.03 1.06 -0.52 6.66 1.57 -0.61 0.68 116.57 125.44 3hbr h LYS 255 Ca 0.30 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3hbr h LYS 255 Cb 0.47 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3hbr h LYS 255 CO -0.61 0.77 -0.14 0.93 -0.57 0.00 0.00 179.45 179.83 3hbr h GLU 256 N 1.07 1.00 -0.05 3.15 4.39 -0.50 0.18 114.58 123.83 3hbr h GLU 256 Ca 0.28 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3hbr h GLU 256 Cb -0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3hbr h GLU 256 CO -0.05 1.07 0.01 0.28 -1.16 0.00 0.00 179.01 179.16 3hbr h VAL 257 N 0.88 1.18 -0.91 3.13 2.07 -0.53 -1.66 116.25 120.41 3hbr h VAL 257 Ca 0.13 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3hbr h VAL 257 Cb 0.71 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3hbr h VAL 257 CO 0.05 0.14 0.56 -0.07 0.02 0.00 0.00 177.57 178.28 3hbr h LEU 258 N -0.12 0.86 -0.48 2.57 3.38 -0.61 -1.31 115.31 119.60 3hbr h LEU 258 Ca 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hbr h LEU 258 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hbr h LEU 258 CO -0.00 0.52 0.28 0.11 0.09 0.00 0.00 178.44 179.44 3hbr h LYS 259 N 0.98 0.66 -0.85 1.13 1.57 -0.54 -1.81 116.57 117.70 3hbr h LYS 259 Ca 0.42 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 3hbr h LYS 259 Cb 0.27 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3hbr h LYS 259 CO -0.21 0.49 0.50 0.37 -0.57 0.00 0.00 179.45 180.04 3hbr h GLN 260 N 0.64 1.17 -0.03 3.15 4.15 -0.60 -1.19 115.11 122.39 3hbr h GLN 260 Ca 0.17 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3hbr h GLN 260 Cb 0.01 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.46 3hbr h GLN 260 CO -0.03 0.83 0.00 0.39 -1.93 0.00 0.00 178.83 178.09 3hbr n GLU 261 N -4.41 1.09 -1.44 1.69 -0.58 -0.56 -4.92 120.64 111.50 3hbr n GLU 261 Ca 0.09 -0.13 -0.15 0.00 -0.42 0.00 0.00 57.16 56.54 3hbr n GLU 261 Cb 0.07 -1.21 -0.07 0.00 -0.57 0.00 0.00 31.44 29.66 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 -0.57 -1.08 0.10 3.49 4.76 -0.45 -4.87 118.16 119.54 3hbr n LYS 262 Ca 0.10 1.04 -0.17 0.00 -2.87 0.00 0.00 58.31 56.41 3hbr n LYS 262 Cb 0.08 -5.19 -0.12 0.00 -1.84 0.00 0.00 35.03 27.95 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 1.42 -3.73 -0.18 2.04 -1.58 -3.45 117.51 112.03 3hbr h ILE 263 Ca -0.31 -2.80 -0.48 0.00 1.00 0.00 0.00 64.86 62.26 3hbr h ILE 263 Cb 1.01 2.81 -0.20 0.00 -0.74 0.00 0.00 36.82 39.69 3hbr h ILE 263 CO 0.46 0.83 -0.79 0.27 0.00 0.00 0.00 178.15 178.92 3hbr s ILE 264 N -2.83 1.51 -2.00 -0.67 -4.36 -1.21 -5.01 121.20 106.63 3hbr s ILE 264 Ca -0.06 -1.61 0.14 0.00 -0.26 0.00 0.00 60.65 58.87 3hbr s ILE 264 Cb 0.07 -1.50 0.40 0.00 1.25 0.00 0.00 42.46 42.68 3hbr s ILE 264 CO 0.89 -0.23 1.27 -2.65 0.24 0.00 0.00 174.94 174.46