#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iby s HIS 3 N 0.00 2.75 -0.12 4.78 2.46 -1.26 -1.14 115.29 122.76 3iby s HIS 3 Ca 0.00 -1.26 0.00 0.00 0.47 0.00 0.00 55.06 54.27 3iby s HIS 3 Cb 0.00 -1.88 -0.02 0.00 -0.13 0.00 0.00 32.58 30.55 3iby s HIS 3 CO 0.00 -0.59 -0.13 0.00 -2.47 0.00 0.00 174.74 171.55 3iby s ALA 4 N 0.94 2.64 -0.04 1.58 0.00 0.82 -0.58 121.76 127.13 3iby s ALA 4 Ca -0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 3iby s ALA 4 Cb -0.15 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3iby s ALA 4 CO -0.03 0.29 0.36 -0.51 0.00 0.00 0.00 175.76 175.87 3iby s LEU 5 N 0.19 4.43 -0.25 0.00 1.43 -0.33 -1.74 118.68 122.41 3iby s LEU 5 Ca -0.08 0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 3iby s LEU 5 Cb -0.15 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3iby s LEU 5 CO 0.05 0.30 0.09 -0.22 0.23 0.00 0.00 176.35 176.80 3iby s LEU 6 N -0.84 3.54 -0.02 1.79 2.96 -0.40 -1.10 118.68 124.61 3iby s LEU 6 Ca 0.22 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3iby s LEU 6 Cb -0.16 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3iby s LEU 6 CO 0.11 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.40 3iby s ILE 7 N 1.63 0.62 0.02 6.68 1.01 -0.36 -1.71 121.20 129.08 3iby s ILE 7 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 3iby s ILE 7 Cb -0.15 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.79 3iby s ILE 7 CO 0.05 0.19 0.21 0.61 0.00 0.00 0.00 174.94 176.01 3iby n GLY 8 N 3.19 0.94 3.91 6.18 0.00 -1.26 -1.73 105.19 116.42 3iby n GLY 8 Ca -0.17 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3iby n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iby s ASN 9 N -1.49 4.31 0.61 1.61 0.01 -1.25 -1.34 114.94 117.39 3iby s ASN 9 Ca 0.05 0.64 -0.17 0.00 -0.71 0.00 0.00 52.86 52.67 3iby s ASN 9 Cb -0.00 -1.07 -0.03 0.00 0.41 0.00 0.00 41.25 40.56 3iby s ASN 9 CO 0.01 -2.01 1.12 -2.84 -1.51 0.00 0.00 177.10 171.87 3iby s PRO 10 N -5.58 3.04 -1.48 -0.60 0.02 -1.26 -3.81 135.00 125.32 3iby s PRO 10 Ca 0.64 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 63.10 3iby s PRO 10 Cb -0.10 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3iby s PRO 10 CO 0.49 -1.08 0.60 0.09 -0.33 0.00 0.00 177.00 176.77 3iby n ASN 11 N -1.91 -5.50 -0.96 2.53 3.02 -1.26 -4.90 115.26 106.27 3iby n ASN 11 Ca 0.11 -0.33 0.09 0.00 -0.03 0.00 0.00 54.58 54.42 3iby n ASN 11 Cb 0.51 -4.46 0.24 0.00 -0.61 0.00 0.00 39.78 35.47 3iby n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby n GLY 13 N 1.34 0.14 0.20 0.00 0.00 -1.26 -4.61 105.19 101.00 3iby n GLY 13 Ca 0.18 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3iby n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iby h LYS 14 N -0.76 0.64 -0.69 1.61 3.64 -1.90 -2.33 116.57 116.77 3iby h LYS 14 Ca -0.25 -0.32 0.06 0.00 -1.27 0.00 0.00 60.65 58.86 3iby h LYS 14 Cb 1.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 3iby h LYS 14 CO 0.27 0.92 0.39 1.15 -2.27 0.00 0.00 179.45 179.91 3iby h THR 15 N 0.37 0.98 -0.58 1.00 2.02 -1.99 -0.68 112.91 114.04 3iby h THR 15 Ca 0.05 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3iby h THR 15 Cb 0.79 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3iby h THR 15 CO 0.06 0.13 0.38 0.74 0.37 0.00 0.00 175.52 177.21 3iby h THR 16 N 0.73 1.15 -0.41 3.16 2.02 -1.90 0.36 112.91 118.02 3iby h THR 16 Ca 0.31 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3iby h THR 16 Cb 0.17 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3iby h THR 16 CO -0.18 0.14 -0.02 0.25 0.37 0.00 0.00 175.52 176.09 3iby h LEU 17 N 0.78 0.72 -0.26 2.58 5.85 -1.21 0.10 115.31 123.88 3iby h LEU 17 Ca 0.21 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3iby h LEU 17 Cb -0.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 3iby h LEU 17 CO -0.05 0.87 -0.12 0.15 -0.34 0.00 0.00 178.44 178.95 3iby h PHE 18 N 0.56 -0.29 -0.95 1.25 3.57 -0.35 0.29 116.94 121.01 3iby h PHE 18 Ca 0.11 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3iby h PHE 18 Cb 0.51 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 3iby h PHE 18 CO 0.04 -0.19 0.63 -0.91 -2.23 0.00 0.00 178.31 175.65 3iby h ASN 19 N -0.09 1.05 -0.32 0.41 2.35 -0.03 -2.20 115.58 116.76 3iby h ASN 19 Ca 0.14 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 3iby h ASN 19 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3iby h ASN 19 CO -0.31 0.73 -0.23 0.00 -1.65 0.00 0.00 177.43 175.96 3iby h ALA 20 N 1.43 0.83 0.01 -0.83 0.00 -0.09 0.26 119.26 120.87 3iby h ALA 20 Ca 0.37 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3iby h ALA 20 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3iby h ALA 20 CO -0.11 0.64 -0.89 -0.07 0.00 0.00 0.00 179.25 178.83 3iby h LEU 21 N 0.71 0.18 0.00 0.00 3.38 -0.82 -3.37 115.31 115.38 3iby h LEU 21 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iby h LEU 21 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3iby h LEU 21 CO 0.06 0.97 -0.73 0.35 0.09 0.00 0.00 178.44 179.19 3iby n THR 22 N -3.61 0.00 0.00 0.22 -2.24 -0.84 -4.59 114.28 103.22 3iby n THR 22 Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3iby n THR 22 Cb 0.82 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3iby n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iby n ASN 23 N -1.40 0.00 -0.26 3.42 3.02 0.91 0.04 115.26 121.00 3iby n ASN 23 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3iby n ASN 23 Cb 0.12 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.68 3iby n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby n ALA 24 N 11.26 3.02 -2.46 5.41 0.00 -1.26 -4.54 120.51 131.94 3iby n ALA 24 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 3iby n ALA 24 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3iby n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iby n ASN 25 N -0.60 4.79 -3.49 0.00 3.02 0.11 -4.85 115.26 114.24 3iby n ASN 25 Ca 0.13 -2.93 -0.11 0.00 -0.03 0.00 0.00 54.58 51.64 3iby n ASN 25 Cb 0.35 -1.68 -0.03 0.00 -0.61 0.00 0.00 39.78 37.80 3iby n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iby s GLN 26 N 3.31 0.96 0.37 3.52 -2.07 -1.26 -2.67 119.66 121.82 3iby s GLN 26 Ca 0.50 -0.19 -0.06 0.00 -1.82 0.00 0.00 55.36 53.79 3iby s GLN 26 Cb 0.05 0.45 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 3iby s GLN 26 CO 0.03 -0.39 0.59 2.89 -1.32 0.00 0.00 175.29 177.09 3iby n ARG 27 N 0.06 0.85 -4.08 9.60 1.85 0.48 -4.98 116.66 120.44 3iby n ARG 27 Ca -0.13 -2.67 -0.14 0.00 -1.00 0.00 0.00 57.85 53.91 3iby n ARG 27 Cb 0.61 2.76 -0.14 0.00 -1.05 0.00 0.00 32.46 34.65 3iby n ARG 27 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3iby s VAL 28 N -2.60 0.34 0.33 8.89 1.01 -1.26 -1.85 120.40 125.26 3iby s VAL 28 Ca 0.25 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3iby s VAL 28 Cb -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.08 3iby s VAL 28 CO 0.18 0.00 0.61 0.61 0.00 0.00 0.00 175.10 176.50 3iby n GLY 29 N 2.73 1.47 3.84 4.51 0.00 0.04 -4.94 105.19 112.84 3iby n GLY 29 Ca -0.14 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 3iby n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iby s ASN 30 N -2.85 6.84 0.50 1.61 0.01 -1.26 0.33 114.94 120.12 3iby s ASN 30 Ca 0.18 1.42 -0.22 0.00 -0.71 0.00 0.00 52.86 53.53 3iby s ASN 30 Cb -0.03 -2.43 -0.06 0.00 0.41 0.00 0.00 41.25 39.14 3iby s ASN 30 CO 0.13 -0.25 1.19 0.26 -1.51 0.00 0.00 177.10 176.92 3iby s TRP 31 N -2.03 2.71 0.14 2.20 0.52 0.11 -4.59 118.94 117.99 3iby s TRP 31 Ca 0.56 1.51 -0.31 0.00 0.02 0.00 0.00 56.10 57.88 3iby s TRP 31 Cb -0.10 -3.43 -0.11 0.00 -1.15 0.00 0.00 33.47 28.68 3iby s TRP 31 CO 0.16 -1.78 1.83 -0.35 0.02 0.00 0.00 176.95 176.83 3iby n PRO 32 N -0.82 2.81 0.00 4.98 -0.04 -1.26 -2.24 135.00 138.42 3iby n PRO 32 Ca 0.09 1.02 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 3iby n PRO 32 Cb 0.48 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 3iby n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iby n GLY 33 N 4.21 2.57 3.56 0.55 0.00 -1.26 -4.99 105.19 109.83 3iby n GLY 33 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3iby n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iby s VAL 34 N -2.67 1.59 -2.25 1.61 -7.23 -0.95 -5.05 120.40 105.45 3iby s VAL 34 Ca 0.00 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.39 3iby s VAL 34 Cb 0.00 -2.84 0.43 0.00 0.56 0.00 0.00 36.38 34.53 3iby s VAL 34 CO 0.00 0.00 1.38 0.35 -0.31 0.00 0.00 175.10 176.52 3iby n THR 35 N -0.89 0.58 -2.25 5.32 -2.24 -1.26 -4.40 114.28 109.13 3iby n THR 35 Ca -0.05 -0.79 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 3iby n THR 35 Cb 0.67 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3iby n THR 35 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iby s VAL 36 N -1.36 3.06 0.20 2.28 1.01 -1.26 -4.87 120.40 119.46 3iby s VAL 36 Ca 0.38 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 3iby s VAL 36 Cb 0.22 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 3iby s VAL 36 CO 0.30 0.23 0.78 -1.61 0.00 0.00 0.00 175.10 174.80 3iby s GLU 37 N -1.41 4.47 -0.05 2.72 2.02 -1.26 0.04 118.70 125.23 3iby s GLU 37 Ca 0.49 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.62 3iby s GLU 37 Cb -0.37 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 3iby s GLU 37 CO 0.47 0.49 -0.25 0.21 0.02 0.00 0.00 175.26 176.20 3iby s LYS 38 N -1.49 2.45 -0.10 1.61 2.20 0.99 -4.65 119.74 120.75 3iby s LYS 38 Ca 0.39 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3iby s LYS 38 Cb -0.21 -2.10 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 3iby s LYS 38 CO 0.24 0.39 -0.20 0.21 -0.36 0.00 0.00 175.35 175.63 3iby s LYS 39 N -0.20 2.65 0.01 4.03 2.20 -1.26 -0.78 119.74 126.39 3iby s LYS 39 Ca -0.02 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 3iby s LYS 39 Cb -0.13 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 3iby s LYS 39 CO 0.03 0.09 -0.02 0.99 -0.36 0.00 0.00 175.35 176.08 3iby s THR 40 N 0.56 0.10 0.00 3.43 2.01 -0.77 -0.65 115.64 120.32 3iby s THR 40 Ca -0.15 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3iby s THR 40 Cb -0.17 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.20 3iby s THR 40 CO 0.05 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 3iby n GLY 41 N 2.67 1.44 3.64 4.40 0.00 -0.84 -0.39 105.19 116.12 3iby n GLY 41 Ca -0.15 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 3iby n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iby s GLU 42 N -1.51 1.35 0.23 1.61 1.03 -1.09 -1.06 118.70 119.26 3iby s GLU 42 Ca 0.00 -0.65 -0.20 0.00 0.03 0.00 0.00 54.97 54.16 3iby s GLU 42 Cb 0.00 0.52 0.03 0.00 -0.80 0.00 0.00 34.13 33.88 3iby s GLU 42 CO 0.00 -0.61 0.62 -0.59 -1.33 0.00 0.00 175.26 173.35 3iby s PHE 43 N -3.61 -0.19 -0.15 4.83 -0.71 -0.41 -4.63 117.98 113.12 3iby s PHE 43 Ca 0.07 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 55.74 3iby s PHE 43 Cb -0.03 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 3iby s PHE 43 CO -0.03 -1.05 -0.01 -0.51 -1.34 0.00 0.00 175.22 172.28 3iby s LEU 44 N -2.88 3.46 -0.41 -1.99 1.43 -1.26 0.11 118.68 117.14 3iby s LEU 44 Ca 0.10 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3iby s LEU 44 Cb -0.03 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.45 3iby s LEU 44 CO 0.01 0.22 0.22 -0.76 0.23 0.00 0.00 176.35 176.26 3iby s LEU 45 N 0.08 5.17 0.00 1.79 1.43 0.47 -4.95 118.68 122.66 3iby s LEU 45 Ca 0.01 -1.82 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 3iby s LEU 45 Cb -0.13 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3iby s LEU 45 CO 0.02 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.67 3iby n GLY 46 N 4.72 2.04 0.78 -3.19 0.00 -1.26 -1.88 105.19 106.40 3iby n GLY 46 Ca -0.06 0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.43 3iby n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iby n GLU 47 N 3.37 1.83 -3.20 1.61 1.02 -1.26 -4.91 120.64 119.10 3iby n GLU 47 Ca 0.00 -1.63 -0.40 0.00 -0.02 0.00 0.00 57.16 55.11 3iby n GLU 47 Cb 0.00 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 3iby n GLU 47 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3iby s HIS 48 N -1.79 3.35 0.05 -0.32 3.76 -0.79 -5.06 115.29 114.48 3iby s HIS 48 Ca 0.23 0.79 -0.30 0.00 -0.15 0.00 0.00 55.06 55.62 3iby s HIS 48 Cb 0.17 -2.72 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 3iby s HIS 48 CO 0.29 -0.17 1.11 -1.17 -0.85 0.00 0.00 174.74 173.96 3iby s LEU 49 N 1.89 4.38 -0.14 0.89 2.96 -1.26 -0.40 118.68 126.99 3iby s LEU 49 Ca 0.25 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 3iby s LEU 49 Cb -0.16 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.98 3iby s LEU 49 CO 0.10 -0.38 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.95 3iby s ILE 50 N 0.97 1.70 -0.08 6.68 1.01 0.12 -2.19 121.20 129.41 3iby s ILE 50 Ca 0.56 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 3iby s ILE 50 Cb -0.26 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3iby s ILE 50 CO 0.29 0.48 0.13 -1.61 0.00 0.00 0.00 174.94 174.23 3iby s GLU 51 N 1.23 3.34 -0.03 2.79 2.02 -0.29 -1.29 118.70 126.47 3iby s GLU 51 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.76 3iby s GLU 51 Cb -0.14 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.02 3iby s GLU 51 CO -0.07 0.73 -0.05 -1.50 0.02 0.00 0.00 175.26 174.39 3iby s ILE 52 N -1.10 0.53 -0.08 -1.63 2.07 -0.23 -0.12 121.20 120.64 3iby s ILE 52 Ca 0.19 -0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 3iby s ILE 52 Cb -0.12 -0.53 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 3iby s ILE 52 CO 0.09 0.21 -0.23 0.42 -1.91 0.00 0.00 174.94 173.51 3iby s THR 53 N 0.65 2.17 -0.10 4.00 -4.23 -0.71 -1.98 115.64 115.43 3iby s THR 53 Ca -0.09 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.16 3iby s THR 53 Cb -0.12 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 3iby s THR 53 CO 0.00 0.56 0.82 -0.62 -0.54 0.00 0.00 174.62 174.84 3iby s ASP 54 N 0.06 7.05 0.07 3.99 2.15 0.18 -1.27 116.67 128.89 3iby s ASP 54 Ca -0.10 1.27 -0.07 0.00 0.43 0.00 0.00 52.55 54.08 3iby s ASP 54 Cb -0.16 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 3iby s ASP 54 CO 0.06 -0.28 0.35 -0.76 -0.17 0.00 0.00 175.17 174.37 3iby s LEU 55 N 1.49 4.34 0.64 -1.34 1.02 -0.70 -4.42 118.68 119.70 3iby s LEU 55 Ca 0.41 0.66 -0.17 0.00 0.02 0.00 0.00 54.13 55.04 3iby s LEU 55 Cb -0.18 -2.95 -0.01 0.00 0.02 0.00 0.00 46.19 43.07 3iby s LEU 55 CO 0.17 0.17 1.21 -2.84 0.02 0.00 0.00 176.35 175.09 3iby s PRO 56 N -2.03 2.70 0.32 1.29 0.02 -1.26 -4.70 135.00 131.34 3iby s PRO 56 Ca 0.33 1.81 -0.28 0.00 0.02 0.00 0.00 61.00 62.88 3iby s PRO 56 Cb -0.13 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 3iby s PRO 56 CO 0.19 -1.42 1.12 0.20 -0.33 0.00 0.00 177.00 176.77 3iby s GLY 57 N -1.74 2.99 -0.05 0.52 0.00 -1.26 -4.73 107.32 103.06 3iby s GLY 57 Ca 0.77 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 46.36 3iby s GLY 57 CO 0.37 1.49 0.12 -1.34 0.00 0.00 0.00 173.10 173.74 3iby s VAL 58 N -1.26 -0.01 0.09 1.40 -7.23 -0.45 -4.55 120.40 108.39 3iby s VAL 58 Ca 0.48 0.04 -0.23 0.00 -1.81 0.00 0.00 61.98 60.46 3iby s VAL 58 Cb -0.31 -0.18 -0.14 0.00 0.56 0.00 0.00 36.38 36.31 3iby s VAL 58 CO 0.40 0.01 1.73 0.22 -0.31 0.00 0.00 175.10 177.15 3iby h TYR 59 N 6.22 -0.07 -3.06 2.82 3.20 -1.95 -3.32 116.97 120.81 3iby h TYR 59 Ca -0.29 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.48 3iby h TYR 59 Cb 1.19 0.03 -0.19 0.00 1.54 0.00 0.00 36.73 39.30 3iby h TYR 59 CO 0.41 -0.05 -0.24 0.45 -1.64 0.00 0.00 178.16 177.10 3iby s SER 60 N -5.14 -0.20 0.00 -2.11 0.15 -1.26 -3.66 113.70 101.48 3iby s SER 60 Ca -0.13 0.03 0.31 0.00 0.70 0.00 0.00 55.95 56.86 3iby s SER 60 Cb 0.06 0.34 1.67 0.00 -1.71 0.00 0.00 66.02 66.39 3iby s SER 60 CO 0.66 -0.52 2.11 0.18 1.20 0.00 0.00 173.24 176.88 3iby n LEU 61 N 1.01 0.10 -4.73 3.45 4.77 -1.26 -4.70 117.00 115.64 3iby n LEU 61 Ca -0.20 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 3iby n LEU 61 Cb 0.57 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3iby n LEU 61 CO 0.22 0.02 0.56 -0.69 -1.33 0.00 0.00 177.39 176.17 3iby s VAL 62 N -2.25 4.67 -0.18 4.08 1.01 -1.26 -4.80 120.40 121.67 3iby s VAL 62 Ca 0.39 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 64.17 3iby s VAL 62 Cb 0.21 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.46 3iby s VAL 62 CO 0.41 0.32 0.20 0.00 0.00 0.00 0.00 175.10 176.03 3iby s ALA 63 N 0.12 -0.21 0.35 5.51 0.00 -1.26 -5.06 121.76 121.21 3iby s ALA 63 Ca 0.43 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 3iby s ALA 63 Cb -0.21 -1.20 -0.10 0.00 0.00 0.00 0.00 23.12 21.61 3iby s ALA 63 CO 0.26 -1.07 0.87 0.54 0.00 0.00 0.00 175.76 176.36 3iby s ASN 64 N 2.31 7.03 0.00 0.00 4.22 -1.26 -1.60 114.94 125.64 3iby s ASN 64 Ca 0.05 1.61 0.00 0.00 -2.14 0.00 0.00 52.86 52.38 3iby s ASN 64 Cb -0.15 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 39.88 3iby s ASN 64 CO -0.11 -0.19 0.99 0.00 -2.04 0.00 0.00 177.10 175.75 3iby n ALA 65 N -0.07 -0.04 -1.12 3.54 0.00 -1.26 -4.65 120.51 116.92 3iby n ALA 65 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 3iby n ALA 65 Cb 0.52 0.46 0.12 0.00 0.00 0.00 0.00 19.45 20.56 3iby n ALA 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iby s GLU 66 N -2.97 1.69 -1.17 0.00 2.02 -1.26 -3.98 118.70 113.03 3iby s GLU 66 Ca 0.00 1.72 -0.08 0.00 0.02 0.00 0.00 54.97 56.63 3iby s GLU 66 Cb 0.00 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 3iby s GLU 66 CO 0.00 -2.17 0.82 0.41 0.02 0.00 0.00 175.26 174.35 3iby n GLY 67 N 0.39 -0.77 3.62 -1.39 0.00 -1.26 -4.89 105.19 100.88 3iby n GLY 67 Ca 0.13 0.36 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 3iby n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iby s ILE 68 N -3.50 3.69 -0.22 -0.61 -4.36 -1.26 -4.99 121.20 109.95 3iby s ILE 68 Ca 0.28 0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 61.26 3iby s ILE 68 Cb -0.07 -3.79 -0.04 0.00 1.25 0.00 0.00 42.46 39.82 3iby s ILE 68 CO 0.80 -0.41 0.41 -0.55 0.24 0.00 0.00 174.94 175.43 3iby s SER 69 N 4.62 6.40 0.47 4.36 0.15 -1.26 -4.98 113.70 123.47 3iby s SER 69 Ca 0.71 0.47 0.18 0.00 0.70 0.00 0.00 55.95 58.02 3iby s SER 69 Cb -0.22 -2.24 1.14 0.00 -1.71 0.00 0.00 66.02 63.00 3iby s SER 69 CO 0.31 -0.13 2.02 1.56 1.20 0.00 0.00 173.24 178.20 3iby h GLN 70 N 7.62 0.00 -0.04 5.44 4.20 -1.99 -2.09 115.11 128.25 3iby h GLN 70 Ca -0.34 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 3iby h GLN 70 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3iby h GLN 70 CO 0.70 0.16 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.43 3iby h ASP 71 N 0.00 0.21 -0.56 1.46 3.32 -1.93 -0.68 116.42 118.24 3iby h ASP 71 Ca -0.00 -0.63 0.11 0.00 0.02 0.00 0.00 57.03 56.53 3iby h ASP 71 Cb 0.31 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 3iby h ASP 71 CO 0.02 0.81 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.04 3iby h GLU 72 N -0.37 -0.09 -0.25 3.56 4.57 -1.74 -1.99 114.58 118.26 3iby h GLU 72 Ca -0.01 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3iby h GLU 72 Cb 0.79 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3iby h GLU 72 CO 0.03 -0.06 0.15 1.96 -1.18 0.00 0.00 179.01 179.91 3iby h GLN 73 N -0.09 0.34 -0.49 1.92 1.08 -1.33 -1.15 115.11 115.39 3iby h GLN 73 Ca 0.26 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.33 3iby h GLN 73 Cb 0.49 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3iby h GLN 73 CO -0.63 0.28 -0.09 0.82 -0.95 0.00 0.00 178.83 178.27 3iby h ILE 74 N 0.31 1.26 -0.02 2.54 2.04 -0.76 -1.63 117.51 121.25 3iby h ILE 74 Ca 0.09 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3iby h ILE 74 Cb 0.03 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3iby h ILE 74 CO -0.02 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.53 3iby h ALA 75 N 1.09 0.03 -0.49 1.87 0.00 -1.21 -1.77 119.26 118.77 3iby h ALA 75 Ca 0.14 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3iby h ALA 75 Cb 0.60 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 3iby h ALA 75 CO 0.04 -0.21 -0.14 0.00 0.00 0.00 0.00 179.25 178.94 3iby h ALA 76 N 0.52 0.30 -0.28 0.00 0.00 -1.16 -2.52 119.26 116.12 3iby h ALA 76 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3iby h ALA 76 Cb 0.51 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iby h ALA 76 CO 0.00 -0.46 -0.32 -0.56 0.00 0.00 0.00 179.25 177.91 3iby h GLN 77 N -0.02 0.59 -0.04 0.00 3.07 -1.29 -3.30 115.11 114.11 3iby h GLN 77 Ca 0.24 -0.26 -0.16 0.00 0.09 0.00 0.00 58.65 58.56 3iby h GLN 77 Cb 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 3iby h GLN 77 CO -0.52 0.83 -0.69 0.77 0.09 0.00 0.00 178.83 179.31 3iby h SER 78 N 0.50 0.24 0.43 0.06 0.02 -0.89 0.24 113.55 114.15 3iby h SER 78 Ca 0.06 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3iby h SER 78 Cb 0.80 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 3iby h SER 78 CO 0.07 0.86 -0.01 -0.37 -1.14 0.00 0.00 176.83 176.24 3iby h VAL 79 N 0.14 0.04 0.04 2.27 -1.51 -1.58 -1.76 116.25 113.89 3iby h VAL 79 Ca -0.02 -0.23 -0.36 0.00 -1.23 0.00 0.00 66.70 64.86 3iby h VAL 79 Cb 1.24 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 31.57 3iby h VAL 79 CO 0.11 0.01 -2.03 -0.38 -1.23 0.00 0.00 177.57 174.04 3iby n ILE 80 N -3.12 1.60 0.10 7.19 5.41 -0.74 -4.69 119.36 125.10 3iby n ILE 80 Ca -0.02 -0.41 -0.16 0.00 1.00 0.00 0.00 62.75 63.16 3iby n ILE 80 Cb 0.17 -1.78 -0.14 0.00 -0.71 0.00 0.00 39.64 37.18 3iby n ILE 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3iby h ASP 81 N -0.46 0.43 -4.05 4.38 3.32 -0.42 -3.46 116.42 116.16 3iby h ASP 81 Ca -0.50 -0.49 -0.46 0.00 0.02 0.00 0.00 57.03 55.60 3iby h ASP 81 Cb 1.72 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.13 3iby h ASP 81 CO -0.14 1.39 0.36 -0.76 -1.72 0.00 0.00 179.24 178.37 3iby s LEU 82 N -7.12 3.94 -0.34 1.55 1.43 -0.67 -5.01 118.68 112.46 3iby s LEU 82 Ca -0.05 1.81 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 3iby s LEU 82 Cb 0.07 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.79 3iby s LEU 82 CO 0.88 -0.51 0.72 -1.61 0.23 0.00 0.00 176.35 176.06 3iby s GLU 83 N -3.10 3.81 0.11 1.70 0.41 -1.26 -4.95 118.70 115.41 3iby s GLU 83 Ca 0.63 0.31 -0.11 0.00 -0.41 0.00 0.00 54.97 55.39 3iby s GLU 83 Cb -0.13 -3.78 0.01 0.00 -1.78 0.00 0.00 34.13 28.45 3iby s GLU 83 CO 0.17 -0.73 0.25 1.52 -0.49 0.00 0.00 175.26 175.98 3iby s TYR 84 N 2.88 0.08 -0.16 1.61 1.13 -1.26 -4.95 117.35 116.68 3iby s TYR 84 Ca 0.29 -0.48 0.19 0.00 -1.41 0.00 0.00 57.07 55.66 3iby s TYR 84 Cb -0.14 0.03 -0.27 0.00 -1.10 0.00 0.00 41.96 40.47 3iby s TYR 84 CO 0.14 -0.60 0.18 -0.25 -2.51 0.00 0.00 175.55 172.51 3iby n ASP 85 N -0.12 0.01 -3.46 -0.18 8.00 0.25 -5.00 116.55 116.06 3iby n ASP 85 Ca -0.15 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.33 3iby n ASP 85 Cb 0.63 1.23 0.01 0.00 -0.02 0.00 0.00 41.12 42.96 3iby n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iby s ILE 87 N -2.54 1.28 -0.50 0.00 1.01 -0.10 -1.19 121.20 119.17 3iby s ILE 87 Ca 0.18 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 3iby s ILE 87 Cb -0.02 -1.19 0.06 0.00 0.01 0.00 0.00 42.46 41.31 3iby s ILE 87 CO 0.05 0.40 0.59 -0.63 0.00 0.00 0.00 174.94 175.35 3iby s ILE 88 N 1.00 4.92 -0.39 2.92 1.01 -0.26 -1.10 121.20 129.30 3iby s ILE 88 Ca -0.07 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3iby s ILE 88 Cb -0.15 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.06 3iby s ILE 88 CO -0.01 -0.78 0.56 0.21 0.00 0.00 0.00 174.94 174.93 3iby s ASN 89 N 2.69 6.31 -0.22 3.58 2.47 0.55 -1.22 114.94 129.10 3iby s ASN 89 Ca 0.14 -0.22 -0.19 0.00 0.42 0.00 0.00 52.86 53.00 3iby s ASN 89 Cb -0.20 -2.29 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 3iby s ASN 89 CO 0.11 -0.62 0.55 -0.69 -3.72 0.00 0.00 177.10 172.73 3iby s VAL 90 N 2.55 5.07 -0.08 -5.21 1.01 -0.70 0.46 120.40 123.49 3iby s VAL 90 Ca 0.20 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.22 3iby s VAL 90 Cb -0.15 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3iby s VAL 90 CO 0.16 0.12 -0.24 -0.63 0.00 0.00 0.00 175.10 174.51 3iby s ILE 91 N 1.97 2.08 -0.21 2.22 1.01 -0.06 -4.36 121.20 123.85 3iby s ILE 91 Ca 0.24 -1.03 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 3iby s ILE 91 Cb -0.16 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3iby s ILE 91 CO 0.09 0.56 0.83 -0.62 0.00 0.00 0.00 174.94 175.81 3iby s ASP 92 N 0.09 6.88 0.24 3.58 2.15 -1.26 0.14 116.67 128.49 3iby s ASP 92 Ca -0.11 1.09 0.18 0.00 0.43 0.00 0.00 52.55 54.14 3iby s ASP 92 Cb -0.16 -2.44 0.91 0.00 -0.30 0.00 0.00 42.92 40.93 3iby s ASP 92 CO 0.06 -0.47 1.55 0.00 -0.17 0.00 0.00 175.17 176.14 3iby n ALA 93 N 5.70 1.19 0.73 3.66 0.00 0.13 -0.89 120.51 131.04 3iby n ALA 93 Ca 0.05 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3iby n ALA 93 Cb 0.48 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.94 3iby n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iby n HIS 95 N -1.92 1.95 -0.32 0.00 8.25 -0.07 -4.94 115.22 118.18 3iby n HIS 95 Ca 0.05 -2.48 0.20 0.00 -0.26 0.00 0.00 57.72 55.23 3iby n HIS 95 Cb 0.40 -0.27 0.40 0.00 1.12 0.00 0.00 29.99 31.64 3iby n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3iby h LEU 96 N 2.59 0.11 0.00 2.41 5.85 -1.67 -2.34 115.31 122.27 3iby h LEU 96 Ca 0.07 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3iby h LEU 96 Cb 1.26 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3iby h LEU 96 CO 0.51 -0.25 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.28 3iby h GLU 97 N 0.16 -0.00 -0.59 1.25 4.81 -1.92 -2.31 114.58 115.98 3iby h GLU 97 Ca 0.67 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.92 3iby h GLU 97 Cb 1.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 3iby h GLU 97 CO -0.72 0.68 0.36 -0.09 -0.73 0.00 0.00 179.01 178.52 3iby h ARG 98 N -0.70 0.70 -0.09 1.92 2.43 -1.91 -3.03 114.38 113.70 3iby h ARG 98 Ca -0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 3iby h ARG 98 Cb 0.69 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3iby h ARG 98 CO 0.00 0.47 -0.42 0.45 -1.51 0.00 0.00 179.97 178.95 3iby h HIS 99 N 0.73 0.23 0.00 2.20 3.86 -1.45 -2.65 115.15 118.07 3iby h HIS 99 Ca 0.23 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3iby h HIS 99 Cb -0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3iby h HIS 99 CO -0.05 0.59 0.00 -0.07 0.86 0.00 0.00 177.93 179.26 3iby h LEU 100 N 0.16 0.00 0.72 2.43 3.38 -1.28 -3.04 115.31 117.68 3iby h LEU 100 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3iby h LEU 100 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3iby h LEU 100 CO 0.06 0.00 -0.36 0.22 0.09 0.00 0.00 178.44 178.46 3iby h TYR 101 N 0.00 -0.93 -0.70 1.13 3.20 -1.56 0.00 116.97 118.10 3iby h TYR 101 Ca 0.00 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.00 3iby h TYR 101 Cb 0.20 0.31 -0.12 0.00 1.54 0.00 0.00 36.73 38.66 3iby h TYR 101 CO 0.00 -0.57 -0.01 1.25 -1.64 0.00 0.00 178.16 177.19 3iby h LEU 102 N -0.99 -0.34 -0.80 2.82 5.85 -1.60 -1.25 115.31 119.01 3iby h LEU 102 Ca -0.10 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3iby h LEU 102 Cb 0.76 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 3iby h LEU 102 CO 0.15 -0.16 0.44 0.74 -0.34 0.00 0.00 178.44 179.27 3iby h THR 103 N 0.10 0.87 -0.63 1.05 2.02 -1.37 0.06 112.91 115.02 3iby h THR 103 Ca 0.38 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3iby h THR 103 Cb 0.64 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3iby h THR 103 CO -0.62 0.13 0.31 0.77 0.37 0.00 0.00 175.52 176.48 3iby h SER 104 N 0.72 0.79 0.07 4.18 4.64 0.20 -2.03 113.55 122.12 3iby h SER 104 Ca 0.39 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iby h SER 104 Cb 0.40 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3iby h SER 104 CO -0.27 0.67 -0.04 1.56 -0.87 0.00 0.00 176.83 177.88 3iby h GLN 105 N 0.88 -0.09 -0.99 4.77 4.20 -0.94 -3.07 115.11 119.87 3iby h GLN 105 Ca 0.22 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.11 3iby h GLN 105 Cb 0.08 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.79 3iby h GLN 105 CO -0.03 0.19 0.62 -0.07 -0.67 0.00 0.00 178.83 178.86 3iby h LEU 106 N -0.38 0.78 -2.07 1.46 3.38 -0.66 0.53 115.31 118.35 3iby h LEU 106 Ca -0.01 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3iby h LEU 106 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iby h LEU 106 CO 0.02 0.32 0.25 -0.26 0.09 0.00 0.00 178.44 178.86 3iby h PHE 107 N 0.78 0.00 -0.00 1.13 0.05 -1.28 -1.93 116.94 115.69 3iby h PHE 107 Ca 0.54 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.33 3iby h PHE 107 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.77 3iby h PHE 107 CO -0.00 0.00 -0.04 0.39 -0.18 0.00 0.00 178.31 178.48 3iby n GLU 108 N -4.19 0.89 0.25 1.51 1.02 0.18 -3.44 120.64 116.86 3iby n GLU 108 Ca 0.05 -0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.12 3iby n GLU 108 Cb 0.42 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.85 3iby n GLU 108 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3iby h LEU 109 N 0.52 0.00 0.00 -4.62 3.38 -1.42 -3.33 115.31 109.84 3iby h LEU 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iby h LEU 109 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iby h LEU 109 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3iby n GLY 110 N 0.38 0.45 3.67 0.83 0.00 -1.22 -4.75 105.19 104.54 3iby n GLY 110 Ca 0.02 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3iby n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iby s LYS 111 N -1.09 2.49 0.38 1.61 -0.14 -1.26 -4.70 119.74 117.03 3iby s LYS 111 Ca 0.00 -0.88 -0.27 0.00 -1.36 0.00 0.00 55.97 53.46 3iby s LYS 111 Cb 0.00 -2.50 -0.11 0.00 -1.68 0.00 0.00 37.83 33.54 3iby s LYS 111 CO 0.00 0.53 1.29 -2.30 -0.76 0.00 0.00 175.35 174.11 3iby n PRO 112 N 0.51 2.06 -3.83 -1.68 -0.02 -1.26 -4.13 135.00 126.65 3iby n PRO 112 Ca -0.11 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3iby n PRO 112 Cb 0.52 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3iby n PRO 112 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iby s VAL 113 N -1.15 -0.02 0.00 -1.45 1.01 -1.26 -0.92 120.40 116.61 3iby s VAL 113 Ca 0.58 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.69 3iby s VAL 113 Cb -0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3iby s VAL 113 CO 0.60 0.03 -0.19 0.54 0.00 0.00 0.00 175.10 176.08 3iby s VAL 114 N 0.36 2.72 -0.24 2.92 0.11 -0.26 -4.36 120.40 121.65 3iby s VAL 114 Ca -0.03 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 57.86 3iby s VAL 114 Cb -0.04 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 3iby s VAL 114 CO -0.01 0.46 0.24 -0.69 -3.33 0.00 0.00 175.10 171.77 3iby s VAL 115 N -0.81 5.30 -0.50 2.04 1.01 -0.30 -0.33 120.40 126.81 3iby s VAL 115 Ca 0.13 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 3iby s VAL 115 Cb -0.10 -3.58 0.11 0.00 0.00 0.00 0.00 36.38 32.81 3iby s VAL 115 CO 0.03 0.29 0.41 0.00 0.00 0.00 0.00 175.10 175.83 3iby s ALA 116 N 1.29 3.52 -0.84 5.51 0.00 0.17 -0.38 121.76 131.03 3iby s ALA 116 Ca 0.11 -2.44 -0.25 0.00 0.00 0.00 0.00 51.96 49.38 3iby s ALA 116 Cb -0.14 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.98 3iby s ALA 116 CO 0.07 -1.90 1.31 -1.17 0.00 0.00 0.00 175.76 174.06 3iby s LEU 117 N 1.52 3.43 0.60 0.00 2.96 -0.01 -0.88 118.68 126.29 3iby s LEU 117 Ca 0.04 -0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 3iby s LEU 117 Cb -0.27 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 43.90 3iby s LEU 117 CO 0.02 -1.67 0.87 0.21 -1.32 0.00 0.00 176.35 174.46 3iby s ASN 118 N 4.16 5.25 -1.17 3.68 2.47 0.12 -1.33 114.94 128.12 3iby s ASN 118 Ca 0.38 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.98 3iby s ASN 118 Cb -0.06 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.54 3iby s ASN 118 CO 0.05 -1.22 0.00 0.23 -3.72 0.00 0.00 177.10 172.44 3iby n MET 119 N -2.55 -0.95 -0.18 0.43 2.81 -1.18 -0.70 117.12 114.80 3iby n MET 119 Ca 0.06 0.73 0.23 0.00 -1.81 0.00 0.00 57.70 56.92 3iby n MET 119 Cb 0.59 -4.87 0.63 0.00 -0.71 0.00 0.00 33.22 28.86 3iby n MET 119 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3iby h MET 120 N 0.00 0.17 -0.05 0.03 2.86 -1.78 0.21 114.93 116.36 3iby h MET 120 Ca -0.28 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.11 3iby h MET 120 Cb 1.07 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.71 3iby h MET 120 CO 0.36 0.11 -0.89 0.38 1.06 0.00 0.00 176.91 177.93 3iby h ASP 121 N 0.17 0.88 0.37 1.22 2.03 -1.90 -1.09 116.42 118.11 3iby h ASP 121 Ca 0.42 -0.70 -0.12 0.00 -0.73 0.00 0.00 57.03 55.90 3iby h ASP 121 Cb 1.37 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 3iby h ASP 121 CO -0.08 1.46 -0.50 0.40 -1.03 0.00 0.00 179.24 179.49 3iby h ILE 122 N 0.39 1.35 -0.13 4.15 2.04 -1.72 -2.26 117.51 121.33 3iby h ILE 122 Ca -0.10 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 3iby h ILE 122 Cb 1.54 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3iby h ILE 122 CO 0.18 0.51 0.03 0.00 0.00 0.00 0.00 178.15 178.87 3iby h ALA 123 N 1.36 0.17 -0.46 1.87 0.00 -0.48 -2.25 119.26 119.47 3iby h ALA 123 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3iby h ALA 123 Cb 0.93 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3iby h ALA 123 CO 0.07 -0.18 0.22 1.49 0.00 0.00 0.00 179.25 180.85 3iby h GLU 124 N 0.00 0.66 -0.29 0.00 4.81 -1.20 0.11 114.58 118.66 3iby h GLU 124 Ca 0.04 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3iby h GLU 124 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3iby h GLU 124 CO 0.00 0.56 0.20 1.25 -0.73 0.00 0.00 179.01 180.29 3iby h HIS 125 N 0.59 0.27 -0.23 0.92 2.76 -1.37 -1.50 115.15 116.59 3iby h HIS 125 Ca 0.16 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3iby h HIS 125 Cb 0.12 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3iby h HIS 125 CO -0.01 0.16 0.00 0.54 -1.30 0.00 0.00 177.93 177.32 3iby n ARG 126 N -4.49 1.63 -1.56 5.26 1.74 -0.85 -4.92 116.66 113.47 3iby n ARG 126 Ca 0.02 -0.87 -0.13 0.00 -0.77 0.00 0.00 57.85 56.11 3iby n ARG 126 Cb 0.16 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 3iby n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iby n GLY 127 N 0.79 1.01 3.66 -0.13 0.00 -0.56 -4.99 105.19 104.96 3iby n GLY 127 Ca 0.08 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3iby n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iby s ILE 128 N -2.50 4.98 -0.12 -0.61 1.01 0.35 -4.06 121.20 120.25 3iby s ILE 128 Ca 0.00 1.28 0.03 0.00 0.00 0.00 0.00 60.65 61.95 3iby s ILE 128 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3iby s ILE 128 CO 0.00 0.07 -0.21 -0.55 0.00 0.00 0.00 174.94 174.25 3iby s SER 129 N 1.24 3.27 -0.08 3.58 0.15 -1.26 -3.82 113.70 116.78 3iby s SER 129 Ca 0.30 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.47 3iby s SER 129 Cb -0.16 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 3iby s SER 129 CO 0.10 0.13 -0.24 -0.63 1.20 0.00 0.00 173.24 173.80 3iby s ILE 130 N 0.53 2.09 -0.69 6.45 1.01 -1.26 -0.59 121.20 128.73 3iby s ILE 130 Ca -0.13 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.23 3iby s ILE 130 Cb -0.17 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.57 3iby s ILE 130 CO 0.05 0.56 1.18 -0.62 0.00 0.00 0.00 174.94 176.11 3iby s ASP 131 N 0.07 6.20 0.26 3.58 3.68 -0.01 -4.93 116.67 125.53 3iby s ASP 131 Ca -0.11 -0.51 -0.04 0.00 2.13 0.00 0.00 52.55 54.02 3iby s ASP 131 Cb -0.16 -2.52 0.38 0.00 -1.45 0.00 0.00 42.92 39.17 3iby s ASP 131 CO 0.06 -1.68 1.87 0.74 0.13 0.00 0.00 175.17 176.29 3iby h THR 132 N 6.03 1.06 0.00 1.71 2.02 -1.97 -1.72 112.91 120.04 3iby h THR 132 Ca -0.28 -0.37 -0.17 0.00 0.77 0.00 0.00 66.41 66.36 3iby h THR 132 Cb 1.06 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3iby h THR 132 CO 1.24 0.20 -0.83 -0.33 0.37 0.00 0.00 175.52 176.16 3iby h GLU 133 N 1.07 0.00 0.15 6.66 5.08 -1.92 -0.48 114.58 125.14 3iby h GLU 133 Ca 0.41 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.47 3iby h GLU 133 Cb 0.19 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 3iby h GLU 133 CO -0.18 0.83 -1.29 -0.22 -1.00 0.00 0.00 179.01 177.15 3iby h LYS 134 N 0.00 0.53 -0.40 2.33 3.64 -1.96 -1.23 116.57 119.48 3iby h LYS 134 Ca -0.01 -0.78 0.01 0.00 -1.27 0.00 0.00 60.65 58.60 3iby h LYS 134 Cb 1.63 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 33.69 3iby h LYS 134 CO 0.11 1.35 0.25 1.25 -2.27 0.00 0.00 179.45 180.14 3iby h LEU 135 N 0.21 0.42 -0.24 5.20 5.85 -1.29 0.22 115.31 125.68 3iby h LEU 135 Ca -0.19 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3iby h LEU 135 Cb 1.98 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.84 3iby h LEU 135 CO 0.24 0.30 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.35 3iby h GLU 136 N 0.51 -0.20 -0.74 1.25 4.81 -1.11 0.33 114.58 119.42 3iby h GLU 136 Ca 0.15 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3iby h GLU 136 Cb -0.02 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3iby h GLU 136 CO -0.05 -0.13 0.45 1.03 -0.73 0.00 0.00 179.01 179.58 3iby h SER 137 N -0.21 0.73 0.46 1.04 0.87 -0.51 0.36 113.55 116.28 3iby h SER 137 Ca 0.14 0.01 -0.30 0.00 -1.23 0.00 0.00 61.79 60.40 3iby h SER 137 Cb 0.42 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3iby h SER 137 CO -0.36 0.49 -1.47 -0.07 -0.53 0.00 0.00 176.83 174.89 3iby h LEU 138 N 0.86 0.46 -0.99 2.23 3.38 -0.22 -3.18 115.31 117.85 3iby h LEU 138 Ca 0.31 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3iby h LEU 138 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iby h LEU 138 CO -0.14 1.47 -0.04 -0.07 0.09 0.00 0.00 178.44 179.75 3iby h LEU 139 N 0.08 0.00 0.76 1.67 3.38 0.11 -3.46 115.31 117.85 3iby h LEU 139 Ca -0.22 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.42 3iby h LEU 139 Cb 2.03 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.65 3iby h LEU 139 CO 0.19 0.04 -0.30 0.61 0.09 0.00 0.00 178.44 179.07 3iby n GLY 140 N 0.37 1.61 3.21 0.83 0.00 0.12 -4.91 105.19 106.42 3iby n GLY 140 Ca 0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3iby n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iby s SER 142 N -3.14 7.22 -0.21 0.00 0.15 -1.26 -4.55 113.70 111.91 3iby s SER 142 Ca 0.27 2.15 0.01 0.00 0.70 0.00 0.00 55.95 59.08 3iby s SER 142 Cb 0.07 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 3iby s SER 142 CO 0.05 -0.25 -0.07 -0.69 1.20 0.00 0.00 173.24 173.49 3iby s VAL 143 N -0.33 1.49 -0.27 4.45 1.01 -1.26 -1.15 120.40 124.34 3iby s VAL 143 Ca 0.49 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3iby s VAL 143 Cb -0.31 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3iby s VAL 143 CO 0.36 0.01 -0.03 -0.63 0.00 0.00 0.00 175.10 174.81 3iby s ILE 144 N 1.43 2.98 0.24 2.22 1.01 0.49 -4.93 121.20 124.64 3iby s ILE 144 Ca -0.04 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3iby s ILE 144 Cb -0.18 -2.57 -0.11 0.00 0.01 0.00 0.00 42.46 39.62 3iby s ILE 144 CO -0.07 0.10 1.53 -2.84 0.00 0.00 0.00 174.94 173.66 3iby s PRO 145 N 1.31 4.21 0.06 2.79 0.02 -1.26 -0.83 135.00 141.30 3iby s PRO 145 Ca -0.01 2.41 -0.08 0.00 0.02 0.00 0.00 61.00 63.34 3iby s PRO 145 Cb -0.18 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 3iby s PRO 145 CO -0.03 -0.55 0.16 0.96 -0.33 0.00 0.00 177.00 177.22 3iby s ILE 146 N 0.35 0.13 -0.44 2.83 -4.36 -0.44 -4.50 121.20 114.78 3iby s ILE 146 Ca 0.64 -1.10 0.03 0.00 -0.26 0.00 0.00 60.65 59.96 3iby s ILE 146 Cb -0.44 -1.11 0.12 0.00 1.25 0.00 0.00 42.46 42.28 3iby s ILE 146 CO 0.41 -0.60 0.19 -1.10 0.24 0.00 0.00 174.94 174.07 3iby s GLN 147 N -3.14 1.54 0.17 0.37 -0.21 0.12 -3.11 119.66 115.40 3iby s GLN 147 Ca -0.01 -2.12 -0.13 0.00 0.02 0.00 0.00 55.36 53.12 3iby s GLN 147 Cb 0.02 -2.87 0.07 0.00 1.00 0.00 0.00 33.01 31.23 3iby s GLN 147 CO -0.07 -1.08 1.77 0.00 -2.12 0.00 0.00 175.29 173.80 3iby h ALA 148 N 6.97 0.73 0.00 6.09 0.00 -1.94 -0.52 119.26 130.59 3iby h ALA 148 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iby h ALA 148 Cb 0.94 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3iby h ALA 148 CO 0.57 0.26 0.07 -2.39 0.00 0.00 0.00 179.25 177.76 3iby n HIS 149 N -4.58 0.54 -0.34 0.00 -0.00 -1.26 -1.65 115.22 107.92 3iby n HIS 149 Ca 0.03 0.28 0.01 0.00 -0.00 0.00 0.00 57.72 58.04 3iby n HIS 149 Cb 0.10 -0.90 0.01 0.00 -0.00 0.00 0.00 29.99 29.19 3iby n HIS 149 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3iby n LYS 150 N -2.07 2.13 -1.51 -1.40 5.02 -0.32 -5.01 118.16 115.00 3iby n LYS 150 Ca -0.01 -1.33 -0.18 0.00 -2.02 0.00 0.00 58.31 54.78 3iby n LYS 150 Cb 0.10 -0.91 -0.08 0.00 -0.02 0.00 0.00 35.03 34.12 3iby n LYS 150 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iby n ASN 151 N -0.43 -5.41 -4.65 4.39 3.02 -0.49 -4.97 115.26 106.72 3iby n ASN 151 Ca 0.01 0.43 -0.40 0.00 -0.03 0.00 0.00 54.58 54.59 3iby n ASN 151 Cb 0.34 -4.46 -0.06 0.00 -0.61 0.00 0.00 39.78 35.00 3iby n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iby s ILE 152 N -2.55 4.99 0.00 2.41 1.01 -0.75 -4.09 121.20 122.22 3iby s ILE 152 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3iby s ILE 152 Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3iby s ILE 152 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3iby n GLY 153 N 3.87 2.44 0.33 6.18 0.00 -1.26 0.15 105.19 116.90 3iby n GLY 153 Ca -0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 3iby n GLY 153 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iby h ILE 154 N 0.00 0.08 0.02 -0.61 1.08 -1.87 0.40 117.51 116.61 3iby h ILE 154 Ca 0.00 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3iby h ILE 154 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 3iby h ILE 154 CO 0.00 0.01 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.81 3iby h PRO 155 N 0.07 -0.02 -0.75 2.37 0.11 -1.93 0.58 132.00 132.43 3iby h PRO 155 Ca 0.70 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.95 3iby h PRO 155 Cb 1.66 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.68 3iby h PRO 155 CO -0.79 0.32 0.32 0.00 -0.21 0.00 0.00 178.00 177.63 3iby h ALA 156 N 0.61 1.05 -0.39 -0.75 0.00 -1.60 0.48 119.26 118.65 3iby h ALA 156 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iby h ALA 156 Cb 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iby h ALA 156 CO 0.00 -0.17 -0.09 1.25 0.00 0.00 0.00 179.25 180.24 3iby h LEU 157 N 0.48 0.76 -0.16 0.00 5.85 0.00 0.05 115.31 122.29 3iby h LEU 157 Ca 0.40 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3iby h LEU 157 Cb 0.57 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 3iby h LEU 157 CO -0.37 0.94 -0.46 1.56 -0.34 0.00 0.00 178.44 179.77 3iby h GLN 158 N 0.56 -0.45 -0.62 1.25 4.20 0.12 -2.50 115.11 117.68 3iby h GLN 158 Ca 0.10 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.96 3iby h GLN 158 Cb 0.61 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 3iby h GLN 158 CO 0.04 -0.30 0.09 1.96 -0.67 0.00 0.00 178.83 179.95 3iby h GLN 159 N -0.47 0.20 0.00 1.46 1.08 0.34 0.35 115.11 118.08 3iby h GLN 159 Ca 0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3iby h GLN 159 Cb 0.56 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3iby h GLN 159 CO -0.40 0.13 0.00 1.03 -0.95 0.00 0.00 178.83 178.65 3iby h SER 160 N 0.21 0.00 -0.16 1.46 0.87 -0.70 -2.66 113.55 112.56 3iby h SER 160 Ca 0.33 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.69 3iby h SER 160 Cb 0.51 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3iby h SER 160 CO -0.46 0.00 -0.68 -0.07 -0.53 0.00 0.00 176.83 175.09 3iby h LEU 161 N 0.00 0.87 -0.85 2.23 3.38 -0.48 -2.85 115.31 117.61 3iby h LEU 161 Ca 0.00 -0.62 0.18 0.00 0.09 0.00 0.00 57.88 57.53 3iby h LEU 161 Cb 0.08 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.46 3iby h LEU 161 CO 0.00 1.35 0.36 -0.07 0.09 0.00 0.00 178.44 180.17 3iby h LEU 162 N 0.45 0.33 -3.83 1.67 -0.00 -1.51 -1.90 115.31 110.52 3iby h LEU 162 Ca -0.04 0.13 -0.32 0.00 -0.00 0.00 0.00 57.88 57.65 3iby h LEU 162 Cb 1.31 0.11 -0.19 0.00 -0.00 0.00 0.00 40.66 41.89 3iby h LEU 162 CO 0.14 0.06 0.40 1.41 -0.00 0.00 0.00 178.44 180.45 3iby n HIS 163 N -5.01 2.66 -2.55 1.13 8.25 -1.20 -4.76 115.22 113.74 3iby n HIS 163 Ca 0.19 -1.43 -0.43 0.00 -0.26 0.00 0.00 57.72 55.79 3iby n HIS 163 Cb 0.55 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.88 3iby n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iby n SER 165 N 3.95 1.58 -4.36 0.00 2.88 -1.26 -4.83 113.62 111.58 3iby n SER 165 Ca 0.37 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.58 3iby n SER 165 Cb 0.37 1.51 -0.14 0.00 -0.75 0.00 0.00 64.21 65.20 3iby n SER 165 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3iby s GLN 166 N -2.89 3.38 0.78 -1.46 -0.21 -1.26 -4.82 119.66 113.18 3iby s GLN 166 Ca -0.06 -0.68 -0.12 0.00 0.02 0.00 0.00 55.36 54.52 3iby s GLN 166 Cb 0.08 -2.67 0.07 0.00 1.00 0.00 0.00 33.01 31.49 3iby s GLN 166 CO 0.61 0.16 1.13 -1.59 -2.12 0.00 0.00 175.29 173.48 3iby s LYS 167 N 0.48 2.01 -0.17 2.91 -2.85 -1.26 -4.23 119.74 116.63 3iby s LYS 167 Ca -0.09 1.42 -0.07 0.00 -1.00 0.00 0.00 55.97 56.23 3iby s LYS 167 Cb -0.16 -1.85 -0.04 0.00 -2.06 0.00 0.00 37.83 33.72 3iby s LYS 167 CO 0.04 -1.87 0.07 0.42 0.10 0.00 0.00 175.35 174.11 3iby s ILE 168 N -2.57 4.85 0.34 3.79 -1.09 -1.26 -4.90 121.20 120.36 3iby s ILE 168 Ca 0.66 -0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.78 3iby s ILE 168 Cb -0.21 -3.16 -0.11 0.00 -1.58 0.00 0.00 42.46 37.40 3iby s ILE 168 CO 0.52 0.49 1.38 -0.54 -1.23 0.00 0.00 174.94 175.56 3iby s LYS 169 N 0.08 4.27 0.77 2.79 1.02 -1.26 -4.76 119.74 122.66 3iby s LYS 169 Ca 0.06 2.34 -0.14 0.00 0.02 0.00 0.00 55.97 58.25 3iby s LYS 169 Cb -0.12 -3.04 0.06 0.00 -0.52 0.00 0.00 37.83 34.21 3iby s LYS 169 CO 0.01 -0.32 1.20 -2.14 -0.92 0.00 0.00 175.35 173.18 3iby s PRO 170 N -1.80 1.88 0.27 -1.68 0.02 -1.26 -4.94 135.00 127.50 3iby s PRO 170 Ca 0.51 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 3iby s PRO 170 Cb -0.42 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.18 3iby s PRO 170 CO 0.56 -2.03 1.55 -0.51 -0.33 0.00 0.00 177.00 176.24 3iby s LEU 171 N -5.48 4.36 -0.38 -5.54 1.43 -1.26 -4.95 118.68 106.85 3iby s LEU 171 Ca 0.73 2.86 -0.29 0.00 -1.03 0.00 0.00 54.13 56.39 3iby s LEU 171 Cb -0.28 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3iby s LEU 171 CO 0.48 -0.85 1.12 -0.75 0.23 0.00 0.00 176.35 176.58 3iby s LYS 172 N -0.39 3.92 0.26 1.70 2.47 -1.26 -5.02 119.74 121.41 3iby s LYS 172 Ca 0.62 0.88 -0.14 0.00 -1.56 0.00 0.00 55.97 55.78 3iby s LYS 172 Cb -0.46 -3.82 -0.08 0.00 -1.46 0.00 0.00 37.83 32.01 3iby s LYS 172 CO 0.46 -1.11 0.65 -0.51 0.16 0.00 0.00 175.35 174.99 3iby s LEU 173 N 4.03 4.16 -0.61 5.43 1.43 -1.26 -4.93 118.68 126.93 3iby s LEU 173 Ca 0.47 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.51 3iby s LEU 173 Cb -0.10 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.40 3iby s LEU 173 CO 0.22 -0.10 0.84 -0.55 0.23 0.00 0.00 176.35 177.00 3iby s SER 174 N -2.17 6.19 0.19 2.29 0.15 -1.26 -5.00 113.70 114.10 3iby s SER 174 Ca 0.49 -1.08 0.10 0.00 0.70 0.00 0.00 55.95 56.15 3iby s SER 174 Cb -0.12 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 3iby s SER 174 CO 0.19 -1.26 -0.19 -0.76 1.20 0.00 0.00 173.24 172.42 3iby s LEU 175 N 3.46 2.48 0.71 3.45 1.43 -1.26 -4.82 118.68 124.12 3iby s LEU 175 Ca 0.19 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.24 3iby s LEU 175 Cb -0.19 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.13 3iby s LEU 175 CO 0.10 -0.01 1.13 -0.94 0.23 0.00 0.00 176.35 176.85 3iby s SER 176 N -2.88 4.72 0.20 2.29 1.04 -1.26 -4.77 113.70 113.04 3iby s SER 176 Ca 0.20 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.56 3iby s SER 176 Cb -0.05 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.70 3iby s SER 176 CO 0.09 -1.90 1.82 -0.37 0.98 0.00 0.00 173.24 173.86 3iby h VAL 177 N -0.34 1.03 0.31 5.02 -1.51 -2.00 0.87 116.25 119.62 3iby h VAL 177 Ca -0.46 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.74 3iby h VAL 177 Cb 1.25 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3iby h VAL 177 CO 0.52 0.13 -0.15 0.00 -1.23 0.00 0.00 177.57 176.84 3iby h ALA 178 N 1.30 -0.42 -0.53 5.19 0.00 -1.98 0.58 119.26 123.40 3iby h ALA 178 Ca 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3iby h ALA 178 Cb 0.09 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3iby h ALA 178 CO -0.14 -0.74 0.34 0.00 0.00 0.00 0.00 179.25 178.71 3iby h ALA 179 N 0.27 0.67 -0.31 0.00 0.00 -1.83 -0.58 119.26 117.49 3iby h ALA 179 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iby h ALA 179 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iby h ALA 179 CO 0.07 0.08 0.13 0.37 0.00 0.00 0.00 179.25 179.89 3iby h GLN 180 N 0.68 0.46 -0.56 0.00 5.75 0.89 -3.08 115.11 119.26 3iby h GLN 180 Ca 0.20 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3iby h GLN 180 Cb -0.04 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3iby h GLN 180 CO -0.06 0.46 0.27 0.37 -2.65 0.00 0.00 178.83 177.22 3iby h GLN 181 N 0.35 0.80 -0.62 1.69 4.15 0.78 -1.98 115.11 120.28 3iby h GLN 181 Ca 0.10 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.42 3iby h GLN 181 Cb 0.17 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 3iby h GLN 181 CO -0.01 0.66 0.39 0.97 -1.93 0.00 0.00 178.83 178.91 3iby h ILE 182 N 0.75 1.12 -0.20 2.39 -0.00 -1.16 -1.42 117.51 118.98 3iby h ILE 182 Ca 0.19 -0.27 -0.04 0.00 -0.00 0.00 0.00 64.86 64.74 3iby h ILE 182 Cb 0.12 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 37.18 3iby h ILE 182 CO -0.02 0.14 -0.03 -0.07 -0.00 0.00 0.00 178.15 178.17 3iby h LEU 183 N 0.79 0.28 -0.13 2.19 3.38 -1.32 1.00 115.31 121.49 3iby h LEU 183 Ca 0.24 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 3iby h LEU 183 Cb -0.04 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iby h LEU 183 CO -0.08 0.36 -0.70 0.78 0.09 0.00 0.00 178.44 178.90 3iby h ASN 184 N 0.30 0.84 -0.33 -0.43 -0.26 -1.03 -2.06 115.58 112.61 3iby h ASN 184 Ca 0.07 -0.64 -0.13 0.00 -0.56 0.00 0.00 56.30 55.04 3iby h ASN 184 Cb 0.26 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 3iby h ASN 184 CO 0.01 1.34 -0.26 0.44 -1.06 0.00 0.00 177.43 177.90 3iby h ASP 185 N 0.39 0.87 -0.11 5.81 3.32 -0.45 -0.44 116.42 125.80 3iby h ASP 185 Ca -0.05 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3iby h ASP 185 Cb 1.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3iby h ASP 185 CO 0.14 1.08 0.05 0.25 -1.72 0.00 0.00 179.24 179.05 3iby h LEU 186 N 0.72 0.15 -0.51 1.55 5.85 -0.89 0.32 115.31 122.50 3iby h LEU 186 Ca 0.09 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3iby h LEU 186 Cb 0.81 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3iby h LEU 186 CO 0.07 0.23 0.03 -0.08 -0.34 0.00 0.00 178.44 178.35 3iby h GLU 187 N 0.05 0.15 -0.43 1.25 4.81 -1.19 0.10 114.58 119.31 3iby h GLU 187 Ca 0.04 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 3iby h GLU 187 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3iby h GLU 187 CO -0.00 0.10 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.27 3iby h ASN 188 N 0.15 0.92 -0.44 1.04 -0.26 -0.73 -1.84 115.58 114.43 3iby h ASN 188 Ca 0.26 -0.40 0.06 0.00 -0.56 0.00 0.00 56.30 55.66 3iby h ASN 188 Cb 0.38 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 3iby h ASN 188 CO -0.40 1.11 0.14 1.56 -1.06 0.00 0.00 177.43 178.78 3iby h GLN 189 N 0.72 0.29 -0.46 0.81 1.08 0.02 0.19 115.11 117.76 3iby h GLN 189 Ca 0.10 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3iby h GLN 189 Cb 0.76 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3iby h GLN 189 CO 0.06 0.19 0.15 -0.07 -0.95 0.00 0.00 178.83 178.22 3iby h LEU 190 N 0.30 0.62 -0.20 1.46 3.38 -0.75 -1.03 115.31 119.09 3iby h LEU 190 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3iby h LEU 190 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iby h LEU 190 CO -0.22 0.59 0.07 0.40 0.09 0.00 0.00 178.44 179.36 3iby h ILE 191 N 0.67 1.18 -0.47 1.22 1.08 -0.70 -1.62 117.51 118.88 3iby h ILE 191 Ca 0.16 -0.57 0.09 0.00 -0.39 0.00 0.00 64.86 64.14 3iby h ILE 191 Cb 0.19 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3iby h ILE 191 CO -0.01 0.18 0.32 -1.28 -0.69 0.00 0.00 178.15 176.67 3iby h SER 192 N 0.16 0.24 -0.19 1.72 0.87 0.25 0.88 113.55 117.48 3iby h SER 192 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3iby h SER 192 Cb 0.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3iby h SER 192 CO -0.00 0.15 0.00 0.29 -0.53 0.00 0.00 176.83 176.74 3iby n LYS 193 N -4.46 1.63 -0.51 2.24 5.02 -0.60 -4.88 118.16 116.59 3iby n LYS 193 Ca 0.07 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 3iby n LYS 193 Cb 0.35 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3iby n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iby n GLY 194 N 1.04 0.76 3.77 0.72 0.00 0.30 -5.06 105.19 106.73 3iby n GLY 194 Ca 0.14 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3iby n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iby s TYR 195 N -2.00 3.31 0.60 1.61 1.51 -0.63 -5.00 117.35 116.75 3iby s TYR 195 Ca 0.00 1.62 -0.18 0.00 -1.01 0.00 0.00 57.07 57.51 3iby s TYR 195 Cb 0.00 -3.30 -0.07 0.00 -0.11 0.00 0.00 41.96 38.48 3iby s TYR 195 CO 0.00 -0.88 0.59 1.17 -1.11 0.00 0.00 175.55 175.32 3iby n LYS 196 N 0.48 0.53 0.26 -0.62 0.00 -1.26 -4.56 118.16 112.99 3iby n LYS 196 Ca 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 58.31 58.44 3iby n LYS 196 Cb 0.46 -1.79 -0.05 0.00 0.00 0.00 0.00 35.03 33.65 3iby n LYS 196 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 3iby h ASN 197 N 0.17 -0.57 -0.94 3.14 -0.73 -1.97 -1.22 115.58 113.46 3iby h ASN 197 Ca -0.46 0.02 0.28 0.00 1.87 0.00 0.00 56.30 58.01 3iby h ASN 197 Cb 1.39 0.15 -0.15 0.00 0.27 0.00 0.00 38.32 39.97 3iby h ASN 197 CO 0.47 -0.37 0.35 0.77 -0.37 0.00 0.00 177.43 178.28 3iby h SER 198 N -0.75 0.15 0.46 1.15 4.64 -1.92 0.15 113.55 117.43 3iby h SER 198 Ca -0.07 0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3iby h SER 198 Cb 0.52 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3iby h SER 198 CO 0.11 -0.18 -0.35 0.15 -0.87 0.00 0.00 176.83 175.69 3iby h PHE 199 N 0.22 0.00 0.08 4.77 3.04 -1.84 -2.81 116.94 120.40 3iby h PHE 199 Ca 0.63 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.58 3iby h PHE 199 Cb 1.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.89 3iby h PHE 199 CO -0.18 0.35 -0.04 0.00 -2.02 0.00 0.00 178.31 176.41 3iby h ALA 200 N 1.65 -0.11 -0.46 2.41 0.00 0.57 -0.37 119.26 122.95 3iby h ALA 200 Ca -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iby h ALA 200 Cb 0.67 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3iby h ALA 200 CO 0.05 -0.45 -0.08 -0.92 0.00 0.00 0.00 179.25 177.85 3iby h TYR 201 N -0.33 -0.18 -0.42 0.00 3.20 -1.56 -1.13 116.97 116.56 3iby h TYR 201 Ca -0.01 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3iby h TYR 201 Cb 0.28 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3iby h TYR 201 CO 0.00 -0.17 -0.24 -0.92 -1.64 0.00 0.00 178.16 175.19 3iby h TYR 202 N 0.03 1.04 -0.14 -3.82 3.20 -1.30 -2.69 116.97 113.30 3iby h TYR 202 Ca 0.23 -0.27 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 3iby h TYR 202 Cb 0.34 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3iby h TYR 202 CO -0.37 1.06 -0.47 0.35 -1.64 0.00 0.00 178.16 177.09 3iby h PHE 203 N 0.72 0.42 -0.19 -3.82 3.57 -0.96 -1.92 116.94 114.77 3iby h PHE 203 Ca 0.09 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3iby h PHE 203 Cb 0.81 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3iby h PHE 203 CO 0.06 0.76 0.06 0.66 -2.23 0.00 0.00 178.31 177.62 3iby h SER 204 N 0.28 0.27 -0.48 0.41 4.64 -1.02 0.10 113.55 117.76 3iby h SER 204 Ca 0.02 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3iby h SER 204 Cb 0.94 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3iby h SER 204 CO 0.08 0.40 0.10 0.03 -0.87 0.00 0.00 176.83 176.57 3iby h ARG 205 N 0.12 0.78 -0.65 4.77 -0.00 -1.39 -2.08 114.38 115.93 3iby h ARG 205 Ca 0.06 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.98 59.30 3iby h ARG 205 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.08 3iby h ARG 205 CO -0.00 0.78 0.23 0.00 0.00 0.00 0.00 179.97 180.98 3iby h ARG 206 N 0.66 0.98 -0.15 0.04 -0.00 -1.12 -2.48 114.38 112.30 3iby h ARG 206 Ca 0.15 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.98 59.41 3iby h ARG 206 Cb 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 3iby h ARG 206 CO 0.01 0.82 -0.06 -0.07 0.00 0.00 0.00 179.97 180.67 3iby h LEU 207 N 0.95 0.32 -2.17 3.04 3.38 -0.72 -1.46 115.31 118.66 3iby h LEU 207 Ca 0.22 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3iby h LEU 207 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3iby h LEU 207 CO -0.01 0.64 0.28 0.00 0.09 0.00 0.00 178.44 179.43 3iby h ALA 208 N 0.69 1.77 -0.49 1.53 0.00 -1.28 1.68 119.26 123.16 3iby h ALA 208 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3iby h ALA 208 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3iby h ALA 208 CO 0.02 -0.39 0.09 0.39 0.00 0.00 0.00 179.25 179.36 3iby n GLU 209 N -3.59 3.56 -3.95 0.00 1.02 -0.94 -3.63 120.64 113.10 3iby n GLU 209 Ca 0.02 -2.34 -0.27 0.00 -0.02 0.00 0.00 57.16 54.56 3iby n GLU 209 Cb 0.40 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 3iby n GLU 209 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iby n GLY 210 N 0.25 -0.30 3.70 0.62 0.00 0.57 -4.93 105.19 105.10 3iby n GLY 210 Ca 0.25 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 3iby n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iby s ASP 211 N -4.27 6.97 0.07 1.61 -1.08 -0.58 -4.74 116.67 114.64 3iby s ASP 211 Ca 0.06 2.04 -0.25 0.00 -0.52 0.00 0.00 52.55 53.88 3iby s ASP 211 Cb -0.02 -2.57 -0.16 0.00 -1.46 0.00 0.00 42.92 38.70 3iby s ASP 211 CO 0.89 -0.60 1.63 0.74 0.52 0.00 0.00 175.17 178.35 3iby h THR 212 N 4.72 0.98 0.00 1.71 2.02 -1.65 -3.44 112.91 117.25 3iby h THR 212 Ca -0.39 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3iby h THR 212 Cb 1.19 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3iby h THR 212 CO 0.86 0.05 0.00 0.25 0.37 0.00 0.00 175.52 177.06 3iby h LEU 213 N -0.21 0.00 0.00 2.58 5.85 -1.92 -3.49 115.31 118.11 3iby h LEU 213 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iby h LEU 213 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3iby h LEU 213 CO 0.02 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 177.45 3iby n ASP 235 N -2.61 0.00 -0.05 1.25 2.03 -1.24 -5.15 116.55 110.78 3iby n ASP 235 Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 3iby n ASP 235 Cb 0.24 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.57 3iby n ASP 235 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3iby h VAL 236 N 0.00 1.34 0.00 5.18 2.07 -1.98 -3.13 116.25 119.72 3iby h VAL 236 Ca 0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3iby h VAL 236 Cb 0.00 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3iby h VAL 236 CO 0.00 0.37 -0.04 0.17 0.02 0.00 0.00 177.57 178.09 3iby h LEU 237 N -0.01 0.00 -0.50 2.57 8.10 -2.00 0.13 115.31 123.60 3iby h LEU 237 Ca 0.03 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.88 3iby h LEU 237 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.85 3iby h LEU 237 CO 0.03 0.04 -0.25 -0.07 -4.11 0.00 0.00 178.44 174.08 3iby h LEU 238 N 0.00 0.99 -0.07 0.17 3.38 -1.93 -2.46 115.31 115.40 3iby h LEU 238 Ca -0.00 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3iby h LEU 238 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3iby h LEU 238 CO 0.01 1.18 -0.06 0.00 0.09 0.00 0.00 178.44 179.66 3iby h ALA 239 N 0.88 0.00 -0.99 1.53 0.00 -0.70 -1.28 119.26 118.71 3iby h ALA 239 Ca 0.10 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3iby h ALA 239 Cb 0.83 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3iby h ALA 239 CO 0.07 -0.53 0.64 -0.44 0.00 0.00 0.00 179.25 179.00 3iby h ASP 240 N -0.07 1.07 -0.70 0.00 3.32 -1.44 0.97 116.42 119.57 3iby h ASP 240 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3iby h ASP 240 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3iby h ASP 240 CO -0.11 0.74 0.20 0.00 -1.72 0.00 0.00 179.24 178.35 3iby h ALA 241 N 1.40 0.92 -0.10 3.45 0.00 -1.23 0.55 119.26 124.25 3iby h ALA 241 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iby h ALA 241 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iby h ALA 241 CO -0.12 0.62 0.06 -0.09 0.00 0.00 0.00 179.25 179.72 3iby h ARG 242 N 1.05 0.12 -0.36 0.00 2.43 -0.39 -2.08 114.38 115.16 3iby h ARG 242 Ca 0.22 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3iby h ARG 242 Cb 0.33 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3iby h ARG 242 CO -0.00 0.08 -0.18 1.88 -1.51 0.00 0.00 179.97 180.24 3iby h TYR 243 N 0.13 0.73 -0.34 2.20 -1.99 -0.37 -2.50 116.97 114.83 3iby h TYR 243 Ca 0.04 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.59 3iby h TYR 243 Cb -0.01 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 3iby h TYR 243 CO -0.08 0.80 0.09 1.96 -0.00 0.00 0.00 178.16 180.93 3iby h GLN 244 N 0.59 0.53 -0.45 4.88 1.08 -0.77 0.26 115.11 121.23 3iby h GLN 244 Ca 0.09 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3iby h GLN 244 Cb 0.64 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3iby h GLN 244 CO 0.05 0.58 0.26 -0.22 -0.95 0.00 0.00 178.83 178.55 3iby h LYS 245 N 0.39 0.61 -0.24 1.46 1.63 -1.32 0.12 116.57 119.22 3iby h LYS 245 Ca 0.11 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3iby h LYS 245 Cb 0.28 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3iby h LYS 245 CO -0.00 0.46 0.05 0.82 -3.45 0.00 0.00 179.45 177.33 3iby h ILE 246 N 0.59 1.22 -0.15 2.00 2.04 -1.21 -1.30 117.51 120.69 3iby h ILE 246 Ca 0.16 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3iby h ILE 246 Cb 0.02 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3iby h ILE 246 CO -0.03 0.23 -0.16 -0.74 0.00 0.00 0.00 178.15 177.46 3iby h HIS 247 N 0.21 -0.41 -1.03 1.37 2.76 -0.33 0.12 115.15 117.85 3iby h HIS 247 Ca 0.07 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.53 3iby h HIS 247 Cb 0.31 0.20 -0.10 0.00 1.55 0.00 0.00 27.41 29.37 3iby h HIS 247 CO 0.02 -0.23 0.65 0.93 -1.30 0.00 0.00 177.93 178.00 3iby h GLU 248 N -0.19 0.44 -0.06 5.26 5.08 -0.53 0.66 114.58 125.25 3iby h GLU 248 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3iby h GLU 248 Cb 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3iby h GLU 248 CO -0.27 0.29 -0.18 0.82 -1.00 0.00 0.00 179.01 178.67 3iby h ILE 249 N 0.45 1.44 0.15 3.13 5.03 0.17 -2.63 117.51 125.25 3iby h ILE 249 Ca 0.60 -1.58 0.02 0.00 -0.12 0.00 0.00 64.86 63.78 3iby h ILE 249 Cb 1.42 2.32 -0.03 0.00 -3.03 0.00 0.00 36.82 37.50 3iby h ILE 249 CO -0.33 0.44 -0.29 0.58 -0.68 0.00 0.00 178.15 177.87 3iby h VAL 250 N -0.30 0.38 -0.94 1.67 2.07 0.41 -1.86 116.25 117.67 3iby h VAL 250 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 3iby h VAL 250 Cb 0.81 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 3iby h VAL 250 CO 0.04 0.00 0.53 0.74 0.02 0.00 0.00 177.57 178.90 3iby h THR 251 N -0.52 0.68 0.00 2.57 2.02 -1.00 0.13 112.91 116.78 3iby h THR 251 Ca 0.02 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3iby h THR 251 Cb 0.54 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3iby h THR 251 CO -0.15 0.12 -0.14 -0.07 0.37 0.00 0.00 175.52 175.65 3iby h LEU 252 N 0.67 0.00 0.00 2.58 3.38 -0.96 -3.37 115.31 117.61 3iby h LEU 252 Ca 0.54 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.45 3iby h LEU 252 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3iby h LEU 252 CO -0.40 0.14 -1.22 0.52 0.09 0.00 0.00 178.44 177.57 3iby n VAL 253 N -3.25 0.22 -4.02 1.22 0.31 -0.71 -4.98 118.33 107.11 3iby n VAL 253 Ca 0.01 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.87 3iby n VAL 253 Cb 0.41 -0.89 -0.15 0.00 -0.91 0.00 0.00 33.84 32.31 3iby n VAL 253 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3iby s GLN 254 N -2.08 2.88 -0.02 5.55 0.74 0.36 -0.83 119.66 126.27 3iby s GLN 254 Ca -0.02 -0.93 -0.05 0.00 0.05 0.00 0.00 55.36 54.41 3iby s GLN 254 Cb 0.01 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.26 3iby s GLN 254 CO 0.13 -0.33 0.43 0.87 -0.55 0.00 0.00 175.29 175.84 3iby h LYS 255 N 7.97 -0.17 0.00 1.67 1.57 -1.15 -3.43 116.57 123.02 3iby h LYS 255 Ca -0.37 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3iby h LYS 255 Cb 1.12 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3iby h LYS 255 CO 0.59 -0.11 0.00 1.17 -0.57 0.00 0.00 179.45 180.52