#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 2.37 -0.03 4.78 5.65 -1.26 -1.57 115.29 125.24 3iby s HIS 3 Ca 0.00 -1.21 0.08 0.00 0.25 0.00 0.00 55.06 54.17 3iby s HIS 3 Cb 0.00 -1.66 -0.02 0.00 -1.18 0.00 0.00 32.58 29.72 3iby s HIS 3 CO 0.00 -0.59 -0.26 0.00 -0.65 0.00 0.00 174.74 173.24 3iby s ALA 4 N 1.00 2.15 -0.14 1.58 0.00 -0.13 -0.35 121.76 125.88 3iby s ALA 4 Ca -0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 3iby s ALA 4 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3iby s ALA 4 CO -0.04 0.51 0.11 -0.51 0.00 0.00 0.00 175.76 175.83 3iby s LEU 5 N -0.52 4.17 -0.47 0.00 1.43 -0.46 -1.68 118.68 121.15 3iby s LEU 5 Ca 0.07 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3iby s LEU 5 Cb -0.11 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.16 3iby s LEU 5 CO -0.00 0.34 0.39 -0.22 0.23 0.00 0.00 176.35 177.08 3iby s LEU 6 N -0.60 5.59 -0.04 1.79 2.96 0.47 0.00 118.68 128.85 3iby s LEU 6 Ca 0.12 -1.34 0.06 0.00 -0.22 0.00 0.00 54.13 52.76 3iby s LEU 6 Cb -0.12 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3iby s LEU 6 CO 0.02 -0.64 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.56 3iby s ILE 7 N 1.63 2.32 0.18 6.68 1.01 -0.62 -0.87 121.20 131.53 3iby s ILE 7 Ca 0.04 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 3iby s ILE 7 Cb -0.24 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 40.44 3iby s ILE 7 CO 0.06 0.58 0.90 0.61 0.00 0.00 0.00 174.94 177.09 3iby n GLY 8 N 2.62 0.71 3.55 6.18 0.00 -1.26 -1.68 105.19 115.30 3iby n GLY 8 Ca -0.17 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.13 1.33 0.79 1.61 -0.87 -1.22 -0.93 114.94 112.52 3iby s ASN 9 Ca 0.20 1.22 -0.11 0.00 -1.57 0.00 0.00 52.86 52.60 3iby s ASN 9 Cb -0.03 -1.89 0.06 0.00 -0.02 0.00 0.00 41.25 39.37 3iby s ASN 9 CO 0.05 -3.94 1.08 -2.84 -2.57 0.00 0.00 177.10 168.89 3iby s PRO 10 N -4.79 2.16 -1.36 -0.60 0.02 -1.26 -4.18 135.00 124.99 3iby s PRO 10 Ca 0.68 0.94 -0.05 0.00 0.02 0.00 0.00 61.00 62.59 3iby s PRO 10 Cb -0.20 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3iby s PRO 10 CO 0.61 -1.65 0.47 0.09 -0.33 0.00 0.00 177.00 176.19 3iby n ASN 11 N -3.50 -1.20 -0.23 2.53 3.02 -1.26 -4.87 115.26 109.75 3iby n ASN 11 Ca 0.08 -1.03 0.08 0.00 -0.03 0.00 0.00 54.58 53.68 3iby n ASN 11 Cb 0.54 -3.00 0.14 0.00 -0.61 0.00 0.00 39.78 36.85 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 -1.25 0.40 0.20 0.00 0.00 -1.26 -4.57 105.19 98.72 3iby n GLY 13 Ca 0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.60 0.00 1.61 3.64 -1.93 -0.21 116.57 120.28 3iby h LYS 14 Ca -0.18 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3iby h LYS 14 Cb 0.91 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3iby h LYS 14 CO 0.24 0.39 -0.48 1.15 -2.27 0.00 0.00 179.45 178.48 3iby h THR 15 N 0.61 1.25 -0.18 1.00 2.02 -1.98 -1.28 112.91 114.35 3iby h THR 15 Ca 0.18 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 3iby h THR 15 Cb -0.05 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3iby h THR 15 CO -0.05 0.48 0.10 0.74 0.37 0.00 0.00 175.52 177.15 3iby h THR 16 N 0.00 1.11 -0.41 3.16 2.02 -1.68 -1.37 112.91 115.74 3iby h THR 16 Ca -0.00 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 3iby h THR 16 Cb 0.91 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3iby h THR 16 CO 0.06 0.11 0.09 0.25 0.37 0.00 0.00 175.52 176.40 3iby h LEU 17 N 0.19 0.63 -0.45 2.58 5.85 -0.65 -0.42 115.31 123.04 3iby h LEU 17 Ca 0.06 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.63 3iby h LEU 17 Cb 0.08 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 3iby h LEU 17 CO -0.01 0.71 -0.09 0.15 -0.34 0.00 0.00 178.44 178.86 3iby h PHE 18 N 0.52 -0.19 -0.75 1.25 3.57 -1.19 -0.03 116.94 120.12 3iby h PHE 18 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3iby h PHE 18 Cb 0.33 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3iby h PHE 18 CO 0.02 -0.17 0.32 -0.91 -2.23 0.00 0.00 178.31 175.33 3iby h ASN 19 N 0.02 1.02 0.57 0.41 2.35 -0.34 0.11 115.58 119.72 3iby h ASN 19 Ca 0.22 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3iby h ASN 19 Cb 0.33 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3iby h ASN 19 CO -0.44 0.89 -0.47 0.00 -1.65 0.00 0.00 177.43 175.76 3iby h ALA 20 N 1.25 1.13 0.19 -0.83 0.00 -0.42 0.15 119.26 120.74 3iby h ALA 20 Ca 0.25 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 3iby h ALA 20 Cb 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iby h ALA 20 CO -0.02 0.59 -1.12 -0.07 0.00 0.00 0.00 179.25 178.62 3iby h LEU 21 N 0.00 0.66 0.00 0.00 3.38 -0.08 -3.39 115.31 115.87 3iby h LEU 21 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3iby h LEU 21 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3iby h LEU 21 CO 0.06 1.54 -0.99 0.35 0.09 0.00 0.00 178.44 179.49 3iby n THR 22 N -3.94 0.00 0.00 0.22 -2.24 -0.06 -4.69 114.28 103.57 3iby n THR 22 Ca -0.15 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3iby n THR 22 Cb 0.95 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 -1.55 0.00 -0.40 3.42 3.02 0.53 -0.57 115.26 119.70 3iby n ASN 23 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.70 3iby n ASN 23 Cb 0.26 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.01 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 10.66 2.59 -2.65 5.41 0.00 -1.26 -4.51 120.51 130.74 3iby n ALA 24 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 3iby n ALA 24 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.01 5.42 -3.47 0.00 3.02 0.27 -4.88 115.26 115.60 3iby n ASN 25 Ca 0.20 -3.15 -0.14 0.00 -0.03 0.00 0.00 54.58 51.46 3iby n ASN 25 Cb 0.31 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.00 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 -0.18 1.12 0.23 3.52 -2.07 -1.26 -1.74 119.66 119.28 3iby s GLN 26 Ca 0.38 -0.15 -0.00 0.00 -1.82 0.00 0.00 55.36 53.77 3iby s GLN 26 Cb 0.05 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 3iby s GLN 26 CO 0.02 -0.44 0.18 -0.98 -1.32 0.00 0.00 175.29 172.75 3iby s ARG 27 N -2.60 1.33 -0.03 9.60 1.70 0.14 -4.98 118.95 124.10 3iby s ARG 27 Ca -0.03 -1.68 0.05 0.00 -0.47 0.00 0.00 55.73 53.59 3iby s ARG 27 Cb -0.01 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 3iby s ARG 27 CO -0.03 -0.45 -0.18 0.54 -1.08 0.00 0.00 175.30 174.09 3iby s VAL 28 N -4.01 1.46 0.00 4.99 0.11 -1.26 -2.56 120.40 119.13 3iby s VAL 28 Ca 0.38 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 3iby s VAL 28 Cb 0.06 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3iby s VAL 28 CO 0.15 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 3iby n GLY 29 N 2.88 5.31 3.45 6.54 0.00 0.39 -4.94 105.19 118.82 3iby n GLY 29 Ca -0.16 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 1.07 3.86 0.31 1.61 0.02 -1.26 0.45 114.94 121.01 3iby s ASN 30 Ca 0.00 -0.27 -0.29 0.00 -1.02 0.00 0.00 52.86 51.28 3iby s ASN 30 Cb 0.00 -0.74 -0.11 0.00 0.02 0.00 0.00 41.25 40.42 3iby s ASN 30 CO 0.00 0.33 1.52 0.26 0.02 0.00 0.00 177.10 179.23 3iby s TRP 31 N -0.74 2.77 -0.48 2.20 0.52 0.17 -4.59 118.94 118.79 3iby s TRP 31 Ca 0.12 0.97 -0.45 0.00 0.02 0.00 0.00 56.10 56.76 3iby s TRP 31 Cb -0.10 -3.99 -0.19 0.00 -1.15 0.00 0.00 33.47 28.04 3iby s TRP 31 CO 0.01 -3.15 1.92 -2.30 0.02 0.00 0.00 176.95 173.45 3iby n PRO 32 N 1.64 0.10 -1.21 4.98 -0.02 -1.26 -1.21 135.00 138.01 3iby n PRO 32 Ca 0.05 0.03 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 3iby n PRO 32 Cb 0.39 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3iby n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iby n GLY 33 N 6.01 0.84 1.43 -1.23 0.00 -1.26 -4.96 105.19 106.02 3iby n GLY 33 Ca 0.44 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3iby n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3iby n VAL 34 N -2.47 0.00 0.89 1.61 3.14 -0.35 -5.06 118.33 116.09 3iby n VAL 34 Ca -0.07 -0.97 0.10 0.00 -2.96 0.00 0.00 64.34 60.44 3iby n VAL 34 Cb 0.40 0.24 0.01 0.00 -1.06 0.00 0.00 33.84 33.43 3iby n VAL 34 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3iby n THR 35 N -0.47 0.00 -3.28 1.55 5.66 -1.26 -4.60 114.28 111.88 3iby n THR 35 Ca -0.07 -0.32 -0.38 0.00 -3.05 0.00 0.00 64.05 60.23 3iby n THR 35 Cb 0.26 1.26 -0.06 0.00 -1.55 0.00 0.00 70.33 70.24 3iby n THR 35 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3iby s VAL 36 N -2.19 4.99 0.01 1.08 1.01 -1.26 -4.93 120.40 119.11 3iby s VAL 36 Ca 0.17 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3iby s VAL 36 Cb 0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3iby s VAL 36 CO 0.48 0.42 1.02 -1.61 0.00 0.00 0.00 175.10 175.42 3iby s GLU 37 N -0.16 4.54 -0.26 2.72 2.02 -1.26 0.44 118.70 126.74 3iby s GLU 37 Ca 0.29 1.49 -0.12 0.00 0.02 0.00 0.00 54.97 56.65 3iby s GLU 37 Cb -0.17 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 3iby s GLU 37 CO 0.15 -0.09 0.23 0.21 0.02 0.00 0.00 175.26 175.78 3iby s LYS 38 N 1.00 4.00 -0.32 1.61 2.20 0.17 -4.71 119.74 123.70 3iby s LYS 38 Ca 0.53 -0.21 -0.15 0.00 -0.36 0.00 0.00 55.97 55.78 3iby s LYS 38 Cb -0.23 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 3iby s LYS 38 CO 0.28 -0.13 0.37 0.15 -0.36 0.00 0.00 175.35 175.67 3iby s LYS 39 N 1.62 3.69 0.15 4.03 3.01 -1.26 -0.46 119.74 130.52 3iby s LYS 39 Ca 0.09 -0.28 0.08 0.00 -1.01 0.00 0.00 55.97 54.86 3iby s LYS 39 Cb -0.15 -3.76 -0.04 0.00 -1.01 0.00 0.00 37.83 32.86 3iby s LYS 39 CO 0.09 -0.47 -0.18 0.95 0.51 0.00 0.00 175.35 176.26 3iby s THR 40 N 2.06 1.70 0.36 2.17 -4.23 -1.06 -1.66 115.64 114.99 3iby s THR 40 Ca 0.13 -1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 3iby s THR 40 Cb -0.16 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 71.98 3iby s THR 40 CO 0.11 -0.31 0.67 0.61 -0.54 0.00 0.00 174.62 175.17 3iby n GLY 41 N 0.43 1.33 3.23 3.99 0.00 -0.25 -0.68 105.19 113.24 3iby n GLY 41 Ca -0.14 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.27 0.92 0.02 1.61 1.03 -0.71 -0.08 118.70 119.23 3iby s GLU 42 Ca 0.18 -1.08 -0.11 0.00 0.03 0.00 0.00 54.97 53.99 3iby s GLU 42 Cb -0.04 0.33 0.01 0.00 -0.80 0.00 0.00 34.13 33.64 3iby s GLU 42 CO 0.14 -0.30 0.24 -0.59 -1.33 0.00 0.00 175.26 173.42 3iby s PHE 43 N -3.91 -0.04 -0.18 4.83 -0.71 -0.49 -4.65 117.98 112.84 3iby s PHE 43 Ca 0.10 -0.08 -0.11 0.00 -1.04 0.00 0.00 56.93 55.80 3iby s PHE 43 Cb 0.05 0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 3iby s PHE 43 CO -0.07 -0.42 0.20 -0.51 -1.34 0.00 0.00 175.22 173.08 3iby s LEU 44 N -1.83 4.24 -0.60 -1.99 1.43 -1.26 -0.36 118.68 118.31 3iby s LEU 44 Ca -0.08 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3iby s LEU 44 Cb -0.03 -2.21 0.15 0.00 0.03 0.00 0.00 46.19 44.13 3iby s LEU 44 CO -0.01 0.16 0.37 -0.22 0.23 0.00 0.00 176.35 176.88 3iby s LEU 45 N 0.29 4.65 0.00 1.79 2.96 0.85 -4.94 118.68 124.29 3iby s LEU 45 Ca 0.12 -3.20 0.00 0.00 -0.22 0.00 0.00 54.13 50.83 3iby s LEU 45 Cb -0.12 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3iby s LEU 45 CO 0.01 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3iby n GLY 46 N 2.90 1.47 0.77 7.98 0.00 -1.26 -1.86 105.19 115.19 3iby n GLY 46 Ca 0.09 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 2.89 -3.89 1.61 1.02 -1.26 -4.97 120.64 116.04 3iby n GLU 47 Ca 0.00 -2.52 -0.36 0.00 -0.02 0.00 0.00 57.16 54.27 3iby n GLU 47 Cb 0.00 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 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 -2.10 3.12 0.07 -0.32 3.76 -0.78 -5.09 115.29 113.96 3iby s HIS 48 Ca 0.34 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.70 3iby s HIS 48 Cb 0.25 -2.17 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 3iby s HIS 48 CO 0.11 -0.19 0.87 -1.17 -0.85 0.00 0.00 174.74 173.52 3iby s LEU 49 N 1.17 4.46 -0.21 0.89 0.20 -1.26 -0.11 118.68 123.83 3iby s LEU 49 Ca 0.04 1.63 0.01 0.00 0.69 0.00 0.00 54.13 56.50 3iby s LEU 49 Cb -0.14 -3.43 0.04 0.00 -0.43 0.00 0.00 46.19 42.23 3iby s LEU 49 CO 0.03 -0.05 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.31 3iby s ILE 50 N 0.06 1.70 -0.08 6.68 1.01 0.51 -1.40 121.20 129.69 3iby s ILE 50 Ca 0.44 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 3iby s ILE 50 Cb -0.22 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3iby s ILE 50 CO 0.27 0.15 0.31 -1.61 0.00 0.00 0.00 174.94 174.06 3iby s GLU 51 N 1.37 3.91 -0.05 2.79 2.02 -0.61 -1.39 118.70 126.73 3iby s GLU 51 Ca -0.02 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.19 3iby s GLU 51 Cb -0.17 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.80 3iby s GLU 51 CO -0.08 0.57 -0.10 -1.50 0.02 0.00 0.00 175.26 174.17 3iby s ILE 52 N -0.59 0.97 -0.15 -1.63 1.10 0.89 -0.95 121.20 120.84 3iby s ILE 52 Ca 0.20 -0.40 -0.02 0.00 -0.51 0.00 0.00 60.65 59.92 3iby s ILE 52 Cb -0.14 -0.90 -0.02 0.00 0.15 0.00 0.00 42.46 41.55 3iby s ILE 52 CO 0.08 0.31 -0.09 -0.89 -2.11 0.00 0.00 174.94 172.25 3iby s THR 53 N 0.59 3.35 0.03 4.00 2.01 -0.68 -1.09 115.64 123.84 3iby s THR 53 Ca -0.11 -0.55 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 3iby s THR 53 Cb -0.14 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3iby s THR 53 CO 0.02 0.50 0.72 -0.62 -0.69 0.00 0.00 174.62 174.55 3iby s ASP 54 N 0.56 7.14 -0.11 3.53 2.15 -0.66 -0.39 116.67 128.89 3iby s ASP 54 Ca -0.06 1.36 -0.01 0.00 0.43 0.00 0.00 52.55 54.27 3iby s ASP 54 Cb -0.15 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3iby s ASP 54 CO 0.03 0.03 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.25 3iby s LEU 55 N -0.03 3.21 0.29 -1.34 1.43 -0.05 -4.56 118.68 117.63 3iby s LEU 55 Ca 0.37 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 3iby s LEU 55 Cb -0.20 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 3iby s LEU 55 CO 0.21 0.28 1.61 -2.84 0.23 0.00 0.00 176.35 175.85 3iby s PRO 56 N -0.32 4.11 0.63 1.29 0.02 -1.26 -4.54 135.00 134.93 3iby s PRO 56 Ca 0.05 2.60 -0.18 0.00 0.02 0.00 0.00 61.00 63.48 3iby s PRO 56 Cb -0.12 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 3iby s PRO 56 CO 0.02 -0.65 1.22 0.41 -0.33 0.00 0.00 177.00 177.67 3iby n GLY 57 N 2.31 0.38 3.40 0.52 0.00 -1.25 -4.61 105.19 105.93 3iby n GLY 57 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3iby n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iby s VAL 58 N -1.40 0.02 0.14 1.61 -7.23 -0.10 -4.51 120.40 108.93 3iby s VAL 58 Ca 0.80 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.69 3iby s VAL 58 Cb -0.39 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 3iby s VAL 58 CO 0.43 -0.09 1.53 0.22 -0.31 0.00 0.00 175.10 176.88 3iby h TYR 59 N 4.00 1.03 -2.93 2.82 3.20 -1.94 -3.23 116.97 119.93 3iby h TYR 59 Ca -0.28 -0.25 -0.12 0.00 3.14 0.00 0.00 58.73 61.22 3iby h TYR 59 Cb 1.16 -0.24 -0.22 0.00 1.54 0.00 0.00 36.73 38.97 3iby h TYR 59 CO 0.43 1.04 -0.27 0.45 -1.64 0.00 0.00 178.16 178.17 3iby s SER 60 N -6.60 -0.29 0.00 -2.11 0.15 -1.26 -3.67 113.70 99.92 3iby s SER 60 Ca -0.12 0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.22 3iby s SER 60 Cb 0.11 0.52 1.47 0.00 -1.71 0.00 0.00 66.02 66.41 3iby s SER 60 CO 0.85 -0.30 2.00 0.18 1.20 0.00 0.00 173.24 177.17 3iby n LEU 61 N 2.02 0.00 -4.66 3.45 4.77 -1.26 -4.78 117.00 116.54 3iby n LEU 61 Ca -0.18 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3iby n LEU 61 Cb 0.57 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3iby n LEU 61 CO 0.18 -0.01 0.52 -0.69 -1.33 0.00 0.00 177.39 176.06 3iby s VAL 62 N -2.54 4.93 -0.59 4.08 1.01 -1.26 -4.79 120.40 121.24 3iby s VAL 62 Ca 0.28 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 3iby s VAL 62 Cb 0.19 -4.05 0.15 0.00 0.00 0.00 0.00 36.38 32.68 3iby s VAL 62 CO 0.43 0.03 0.48 0.00 0.00 0.00 0.00 175.10 176.04 3iby s ALA 63 N 2.28 3.62 -2.07 5.51 0.00 -1.26 -4.98 121.76 124.85 3iby s ALA 63 Ca 0.33 -2.89 0.20 0.00 0.00 0.00 0.00 51.96 49.60 3iby s ALA 63 Cb -0.16 -2.98 0.54 0.00 0.00 0.00 0.00 23.12 20.52 3iby s ALA 63 CO 0.10 -2.05 1.45 -1.71 0.00 0.00 0.00 175.76 173.56 3iby n ASN 64 N 4.39 3.24 -2.37 0.00 2.85 -1.26 -1.44 115.26 120.66 3iby n ASN 64 Ca 0.00 -1.99 -0.01 0.00 -0.11 0.00 0.00 54.58 52.48 3iby n ASN 64 Cb 0.41 -0.38 -0.01 0.00 1.24 0.00 0.00 39.78 41.05 3iby n ASN 64 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3iby n SER 69 N 1.28 -5.21 0.00 1.20 3.41 -1.26 -4.92 113.62 108.12 3iby n SER 69 Ca 0.20 1.46 0.00 0.00 -0.26 0.00 0.00 58.87 60.27 3iby n SER 69 Cb 0.52 -3.82 0.00 0.00 -0.26 0.00 0.00 64.21 60.65 3iby n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iby n GLN 70 N 1.95 0.00 -0.25 4.33 10.64 -1.26 -0.68 117.38 132.12 3iby n GLN 70 Ca -0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.22 3iby n GLN 70 Cb 0.10 0.00 0.23 0.00 -0.86 0.00 0.00 30.24 29.72 3iby n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3iby n ASP 71 N -2.56 -0.05 -0.03 2.61 9.92 -1.26 0.36 116.55 125.54 3iby n ASP 71 Ca 0.00 1.21 -0.11 0.00 -0.53 0.00 0.00 54.79 55.36 3iby n ASP 71 Cb 0.00 -0.46 -0.06 0.00 -0.64 0.00 0.00 41.12 39.97 3iby n ASP 71 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3iby h GLU 72 N 0.00 0.19 -0.39 -1.24 4.81 -1.17 -3.07 114.58 113.71 3iby h GLU 72 Ca 0.45 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3iby h GLU 72 Cb 0.97 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3iby h GLU 72 CO -0.66 0.29 0.20 1.96 -0.73 0.00 0.00 179.01 180.07 3iby h GLN 73 N 0.06 0.56 -0.61 1.92 1.08 0.63 -2.25 115.11 116.50 3iby h GLN 73 Ca 0.04 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3iby h GLN 73 Cb 0.17 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 3iby h GLN 73 CO -0.00 0.48 0.41 0.82 -0.95 0.00 0.00 178.83 179.59 3iby h ILE 74 N 0.50 1.16 -0.57 2.54 2.04 0.11 0.51 117.51 123.80 3iby h ILE 74 Ca 0.14 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 3iby h ILE 74 Cb 0.10 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3iby h ILE 74 CO -0.02 0.15 -0.06 0.00 0.00 0.00 0.00 178.15 178.23 3iby h ALA 75 N 1.22 0.82 -0.51 1.87 0.00 -1.53 -0.50 119.26 120.62 3iby h ALA 75 Ca 0.22 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3iby h ALA 75 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3iby h ALA 75 CO -0.05 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.94 3iby h ALA 76 N 0.98 0.68 -0.28 0.00 0.00 -0.65 -2.89 119.26 117.11 3iby h ALA 76 Ca 0.16 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3iby h ALA 76 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3iby h ALA 76 CO 0.04 0.42 -0.24 1.96 0.00 0.00 0.00 179.25 181.43 3iby h GLN 77 N 0.73 0.66 -0.52 0.00 4.20 0.13 -3.34 115.11 116.96 3iby h GLN 77 Ca 0.15 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3iby h GLN 77 Cb 0.42 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3iby h GLN 77 CO 0.01 0.94 0.12 0.77 -0.67 0.00 0.00 178.83 180.01 3iby h SER 78 N 0.40 0.80 0.00 1.46 0.02 -1.03 0.58 113.55 115.77 3iby h SER 78 Ca 0.05 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3iby h SER 78 Cb 0.80 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3iby h SER 78 CO 0.06 0.83 0.23 -0.37 -1.14 0.00 0.00 176.83 176.44 3iby h VAL 79 N 0.74 0.00 0.00 2.27 -1.51 -1.63 -1.66 116.25 114.46 3iby h VAL 79 Ca 0.16 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.37 3iby h VAL 79 Cb 0.34 0.69 -0.04 0.00 -2.13 0.00 0.00 31.29 30.15 3iby h VAL 79 CO 0.00 0.00 -1.75 -0.38 -1.23 0.00 0.00 177.57 174.21 3iby n ILE 80 N -2.80 1.51 0.03 7.19 5.41 -0.91 -4.77 119.36 125.02 3iby n ILE 80 Ca -0.02 -0.14 -0.19 0.00 1.00 0.00 0.00 62.75 63.41 3iby n ILE 80 Cb 0.28 -2.08 -0.09 0.00 -0.71 0.00 0.00 39.64 37.04 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 -1.00 0.89 -4.08 4.38 3.32 -0.53 -3.46 116.42 115.93 3iby h ASP 81 Ca -0.40 -0.67 -0.49 0.00 0.02 0.00 0.00 57.03 55.49 3iby h ASP 81 Cb 1.30 -0.27 0.03 0.00 0.22 0.00 0.00 39.33 40.62 3iby h ASP 81 CO -0.24 1.47 0.31 -0.76 -1.72 0.00 0.00 179.24 178.30 3iby s LEU 82 N -8.16 3.50 -0.23 1.55 1.43 -0.66 -5.04 118.68 111.07 3iby s LEU 82 Ca -0.10 1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 3iby s LEU 82 Cb 0.08 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 3iby s LEU 82 CO 0.91 -0.67 0.30 -1.61 0.23 0.00 0.00 176.35 175.51 3iby s GLU 83 N -4.59 4.09 -0.03 1.70 2.02 -1.26 -4.94 118.70 115.69 3iby s GLU 83 Ca 0.54 -0.03 -0.22 0.00 0.02 0.00 0.00 54.97 55.28 3iby s GLU 83 Cb -0.10 -3.57 0.05 0.00 0.10 0.00 0.00 34.13 30.60 3iby s GLU 83 CO 0.43 -0.06 0.49 1.52 0.02 0.00 0.00 175.26 177.65 3iby s TYR 84 N 1.41 -0.41 -0.10 1.61 1.13 -1.26 -4.98 117.35 114.75 3iby s TYR 84 Ca 0.13 0.66 0.14 0.00 -1.41 0.00 0.00 57.07 56.59 3iby s TYR 84 Cb -0.15 0.25 -0.24 0.00 -1.10 0.00 0.00 41.96 40.73 3iby s TYR 84 CO 0.07 -0.50 0.44 -0.25 -2.51 0.00 0.00 175.55 172.80 3iby n ASP 85 N 1.06 0.63 -3.50 -0.18 8.00 0.53 -4.98 116.55 118.12 3iby n ASP 85 Ca -0.20 0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.49 3iby n ASP 85 Cb 0.57 0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 -3.14 2.00 -0.43 0.00 1.01 -0.26 -1.36 121.20 119.02 3iby s ILE 87 Ca 0.14 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 3iby s ILE 87 Cb -0.05 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.74 3iby s ILE 87 CO 0.08 0.55 0.34 -0.63 0.00 0.00 0.00 174.94 175.27 3iby s ILE 88 N 0.21 5.24 -0.43 2.92 1.01 0.10 -1.22 121.20 129.03 3iby s ILE 88 Ca -0.14 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 3iby s ILE 88 Cb -0.17 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.34 3iby s ILE 88 CO 0.07 -0.39 0.51 0.21 0.00 0.00 0.00 174.94 175.34 3iby s ASN 89 N 1.94 6.23 -0.32 3.58 2.47 -0.14 -1.59 114.94 127.11 3iby s ASN 89 Ca 0.05 -0.59 -0.24 0.00 0.42 0.00 0.00 52.86 52.50 3iby s ASN 89 Cb -0.20 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 3iby s ASN 89 CO 0.09 -0.66 0.81 -0.69 -3.72 0.00 0.00 177.10 172.94 3iby s VAL 90 N 2.36 4.75 -0.01 -5.21 1.01 -0.68 0.17 120.40 122.80 3iby s VAL 90 Ca 0.15 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 3iby s VAL 90 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3iby s VAL 90 CO 0.15 -0.32 0.08 -0.63 0.00 0.00 0.00 175.10 174.38 3iby s ILE 91 N 3.06 4.76 -0.35 2.22 1.01 0.78 -4.39 121.20 128.29 3iby s ILE 91 Ca 0.33 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 3iby s ILE 91 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 3iby s ILE 91 CO 0.14 0.36 0.41 -0.62 0.00 0.00 0.00 174.94 175.23 3iby s ASP 92 N -1.72 6.23 0.50 3.58 -1.08 -1.26 0.06 116.67 122.98 3iby s ASP 92 Ca 0.23 -0.18 0.26 0.00 -0.52 0.00 0.00 52.55 52.33 3iby s ASP 92 Cb -0.12 -2.22 1.42 0.00 -1.46 0.00 0.00 42.92 40.54 3iby s ASP 92 CO 0.14 -0.40 1.77 0.00 0.52 0.00 0.00 175.17 177.20 3iby h ALA 93 N 8.47 1.17 0.00 3.66 0.00 -1.43 -0.24 119.26 130.89 3iby h ALA 93 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iby h ALA 93 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3iby h ALA 93 CO 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3iby n HIS 95 N -1.63 -0.44 0.07 0.00 8.25 -0.11 -4.98 115.22 116.39 3iby n HIS 95 Ca 0.07 -2.98 -0.11 0.00 -0.26 0.00 0.00 57.72 54.43 3iby n HIS 95 Cb 0.34 0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 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 2.87 -0.56 -0.67 2.41 5.85 -1.68 -0.35 115.31 123.19 3iby h LEU 96 Ca -0.04 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3iby h LEU 96 Cb 1.10 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 3iby h LEU 96 CO 0.36 -0.26 0.36 -0.08 -0.34 0.00 0.00 178.44 178.47 3iby h GLU 97 N -0.33 0.94 -0.13 1.25 4.81 -1.93 0.12 114.58 119.30 3iby h GLU 97 Ca 0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3iby h GLU 97 Cb 0.39 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3iby h GLU 97 CO -0.16 0.71 0.03 -0.09 -0.73 0.00 0.00 179.01 178.78 3iby h ARG 98 N 0.92 0.21 0.00 1.92 9.65 -1.95 -3.10 114.38 122.03 3iby h ARG 98 Ca 0.23 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 3iby h ARG 98 Cb 0.05 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3iby h ARG 98 CO -0.04 0.37 -0.08 0.45 2.80 0.00 0.00 179.97 183.48 3iby h HIS 99 N 0.01 0.00 0.00 2.20 3.86 -0.48 -2.83 115.15 117.91 3iby h HIS 99 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3iby h HIS 99 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3iby h HIS 99 CO 0.01 0.08 0.00 -0.07 0.86 0.00 0.00 177.93 178.80 3iby h LEU 100 N 0.00 0.00 -0.32 2.43 3.38 -0.70 -3.07 115.31 117.03 3iby h LEU 100 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iby h LEU 100 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3iby h LEU 100 CO 0.01 0.00 0.21 0.22 0.09 0.00 0.00 178.44 178.97 3iby h TYR 101 N 0.00 0.40 -0.32 1.13 3.20 -1.59 -1.17 116.97 118.63 3iby h TYR 101 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3iby h TYR 101 Cb 0.49 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3iby h TYR 101 CO 0.00 0.25 0.01 1.25 -1.64 0.00 0.00 178.16 178.03 3iby h LEU 102 N 0.43 0.55 -0.29 2.82 5.85 -1.61 -2.97 115.31 120.09 3iby h LEU 102 Ca 0.12 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.60 3iby h LEU 102 Cb -0.05 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 3iby h LEU 102 CO -0.03 0.71 -0.29 0.74 -0.34 0.00 0.00 178.44 179.24 3iby h THR 103 N 0.36 0.30 -0.83 1.05 2.02 -1.58 -1.28 112.91 112.96 3iby h THR 103 Ca 0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.39 3iby h THR 103 Cb 0.43 0.30 -0.13 0.00 -1.74 0.00 0.00 68.15 67.02 3iby h THR 103 CO 0.01 0.00 -0.37 -0.24 0.37 0.00 0.00 175.52 175.29 3iby n SER 104 N -5.40 -0.63 0.10 4.18 2.88 -0.45 -0.69 113.62 113.60 3iby n SER 104 Ca -0.00 1.46 -0.05 0.00 -1.33 0.00 0.00 58.87 58.95 3iby n SER 104 Cb 0.32 -0.30 0.11 0.00 -0.75 0.00 0.00 64.21 63.59 3iby n SER 104 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3iby h GLN 105 N 0.00 0.16 -0.35 -1.46 4.20 -1.24 -3.20 115.11 113.23 3iby h GLN 105 Ca 0.25 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 3iby h GLN 105 Cb 0.46 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3iby h GLN 105 CO -0.82 0.76 -0.22 -0.07 -0.67 0.00 0.00 178.83 177.82 3iby h LEU 106 N 0.11 0.68 -2.48 1.46 3.38 0.24 -1.15 115.31 117.55 3iby h LEU 106 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3iby h LEU 106 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3iby h LEU 106 CO 0.10 0.89 0.10 -0.26 0.09 0.00 0.00 178.44 179.35 3iby h PHE 107 N 0.59 0.00 -0.11 1.13 0.04 -1.34 -1.47 116.94 115.79 3iby h PHE 107 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3iby h PHE 107 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 3iby h PHE 107 CO 0.03 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.13 3iby n GLU 108 N -2.90 1.69 0.12 1.51 1.02 -0.43 -3.62 120.64 118.02 3iby n GLU 108 Ca -0.02 -1.02 0.12 0.00 -0.02 0.00 0.00 57.16 56.22 3iby n GLU 108 Cb 0.16 -1.43 0.24 0.00 -0.02 0.00 0.00 31.44 30.39 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 2.20 0.00 0.33 -4.62 3.38 -1.38 -3.29 115.31 111.93 3iby h LEU 109 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3iby h LEU 109 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3iby h LEU 109 CO 0.00 0.03 -0.10 0.61 0.09 0.00 0.00 178.44 179.07 3iby n GLY 110 N 1.25 0.65 3.79 0.83 0.00 -1.24 -4.73 105.19 105.74 3iby n GLY 110 Ca 0.04 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.78 2.87 0.23 1.61 -0.14 -1.26 -4.76 119.74 115.51 3iby s LYS 111 Ca 0.00 -0.88 -0.32 0.00 -1.36 0.00 0.00 55.97 53.41 3iby s LYS 111 Cb 0.00 -2.63 -0.13 0.00 -1.68 0.00 0.00 37.83 33.39 3iby s LYS 111 CO 0.00 0.48 1.50 -2.30 -0.76 0.00 0.00 175.35 174.27 3iby n PRO 112 N -0.31 2.24 -4.32 -1.68 -0.02 -1.26 -4.22 135.00 125.44 3iby n PRO 112 Ca -0.08 0.80 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 3iby n PRO 112 Cb 0.55 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.21 0.72 -0.07 -1.45 1.01 -1.26 -1.10 120.40 118.45 3iby s VAL 113 Ca 0.70 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3iby s VAL 113 Cb -0.61 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3iby s VAL 113 CO 0.46 0.25 -0.14 0.54 0.00 0.00 0.00 175.10 176.21 3iby s VAL 114 N 0.57 1.29 -0.14 2.92 0.11 -0.36 -4.44 120.40 120.36 3iby s VAL 114 Ca -0.09 -0.58 -0.19 0.00 -2.93 0.00 0.00 61.98 58.19 3iby s VAL 114 Cb -0.12 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 3iby s VAL 114 CO 0.01 0.39 0.52 -0.69 -3.33 0.00 0.00 175.10 171.99 3iby s VAL 115 N 0.56 5.14 -0.44 2.04 1.01 -0.25 -0.97 120.40 127.50 3iby s VAL 115 Ca -0.14 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 3iby s VAL 115 Cb -0.16 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.43 3iby s VAL 115 CO 0.04 0.27 0.33 0.00 0.00 0.00 0.00 175.10 175.74 3iby s ALA 116 N 0.99 3.46 -0.57 5.51 0.00 0.13 -1.08 121.76 130.20 3iby s ALA 116 Ca 0.27 -1.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.00 3iby s ALA 116 Cb -0.15 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.12 3iby s ALA 116 CO 0.11 -1.61 0.97 -1.17 0.00 0.00 0.00 175.76 174.05 3iby s LEU 117 N 1.60 4.06 0.36 0.00 2.96 0.66 -0.15 118.68 128.17 3iby s LEU 117 Ca 0.04 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 3iby s LEU 117 Cb -0.22 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 3iby s LEU 117 CO 0.06 -1.28 0.36 0.21 -1.32 0.00 0.00 176.35 174.39 3iby s ASN 118 N 2.94 5.36 -1.29 3.68 2.47 0.11 0.43 114.94 128.65 3iby s ASN 118 Ca 0.31 -0.50 -0.05 0.00 0.42 0.00 0.00 52.86 53.03 3iby s ASN 118 Cb -0.12 -0.89 0.01 0.00 -1.45 0.00 0.00 41.25 38.79 3iby s ASN 118 CO 0.19 -0.47 1.10 0.23 -3.72 0.00 0.00 177.10 174.43 3iby n MET 119 N -1.49 -7.39 0.29 0.43 2.81 -1.13 -1.26 117.12 109.37 3iby n MET 119 Ca 0.00 0.84 0.16 0.00 -1.81 0.00 0.00 57.70 56.89 3iby n MET 119 Cb 0.60 -5.88 0.86 0.00 -0.71 0.00 0.00 33.22 28.09 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 -2.35 0.00 0.21 0.03 2.86 -1.79 -1.84 114.93 112.04 3iby h MET 120 Ca -0.58 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 3iby h MET 120 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 3iby h MET 120 CO 0.53 0.06 -0.10 0.38 1.06 0.00 0.00 176.91 178.84 3iby h ASP 121 N 0.00 -0.24 -0.52 1.22 2.03 -1.90 -1.50 116.42 115.51 3iby h ASP 121 Ca -0.00 -0.23 0.12 0.00 -0.73 0.00 0.00 57.03 56.18 3iby h ASP 121 Cb 0.24 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.78 3iby h ASP 121 CO 0.01 0.28 0.36 0.40 -1.03 0.00 0.00 179.24 179.26 3iby h ILE 122 N -0.96 0.82 0.43 4.15 1.08 -1.94 0.10 117.51 121.20 3iby h ILE 122 Ca -0.03 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3iby h ILE 122 Cb 0.46 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 3iby h ILE 122 CO 0.05 0.03 -0.37 0.00 -0.69 0.00 0.00 178.15 177.17 3iby h ALA 123 N 1.74 -0.85 -0.18 1.87 0.00 -1.25 -1.97 119.26 118.63 3iby h ALA 123 Ca 0.24 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3iby h ALA 123 Cb 0.73 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3iby h ALA 123 CO -0.04 -1.01 -0.42 1.49 0.00 0.00 0.00 179.25 179.27 3iby h GLU 124 N -0.81 0.42 -0.69 0.00 4.81 -0.29 -0.52 114.58 117.50 3iby h GLU 124 Ca -0.04 -0.21 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3iby h GLU 124 Cb 0.71 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3iby h GLU 124 CO -0.03 0.77 0.46 1.25 -0.73 0.00 0.00 179.01 180.73 3iby h HIS 125 N 0.35 0.70 -0.16 0.92 2.76 -0.78 -2.32 115.15 116.61 3iby h HIS 125 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3iby h HIS 125 Cb 0.89 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3iby h HIS 125 CO 0.03 0.36 0.00 0.54 -1.30 0.00 0.00 177.93 177.56 3iby n ARG 126 N -4.48 1.84 -1.34 5.26 1.74 -0.75 -4.92 116.66 114.02 3iby n ARG 126 Ca 0.10 -1.26 -0.03 0.00 -0.77 0.00 0.00 57.85 55.89 3iby n ARG 126 Cb 0.25 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.19 0.51 3.59 -0.13 0.00 -0.87 -5.02 105.19 104.47 3iby n GLY 127 Ca 0.17 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.12 5.15 -0.11 -0.61 1.01 -0.26 -4.20 121.20 120.06 3iby s ILE 128 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 3iby s ILE 128 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3iby s ILE 128 CO 0.00 0.05 -0.08 -0.94 0.00 0.00 0.00 174.94 173.98 3iby s SER 129 N 1.67 4.51 -0.03 3.58 1.04 -0.30 -3.78 113.70 120.40 3iby s SER 129 Ca 0.15 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.49 3iby s SER 129 Cb -0.16 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 3iby s SER 129 CO 0.11 0.26 -0.14 -0.63 0.98 0.00 0.00 173.24 173.81 3iby s ILE 130 N -0.19 3.06 -0.86 -1.02 1.01 -1.26 -1.79 121.20 120.15 3iby s ILE 130 Ca 0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3iby s ILE 130 Cb -0.13 -2.23 0.18 0.00 0.01 0.00 0.00 42.46 40.29 3iby s ILE 130 CO 0.03 0.52 0.91 -0.62 0.00 0.00 0.00 174.94 175.78 3iby s ASP 131 N -0.95 6.70 0.25 3.58 -1.08 -0.55 -4.90 116.67 119.72 3iby s ASP 131 Ca 0.13 -2.40 -0.03 0.00 -0.52 0.00 0.00 52.55 49.72 3iby s ASP 131 Cb -0.11 -2.29 0.44 0.00 -1.46 0.00 0.00 42.92 39.50 3iby s ASP 131 CO 0.02 -0.78 1.81 0.74 0.52 0.00 0.00 175.17 177.48 3iby h THR 132 N 5.23 0.89 -0.18 1.71 2.02 -1.97 -2.00 112.91 118.61 3iby h THR 132 Ca 0.12 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3iby h THR 132 Cb 1.03 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3iby h THR 132 CO 0.90 0.15 -0.28 -0.33 0.37 0.00 0.00 175.52 176.32 3iby h GLU 133 N 0.79 0.51 -0.84 6.66 5.08 -1.93 -2.26 114.58 122.59 3iby h GLU 133 Ca 0.42 -0.31 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3iby h GLU 133 Cb 0.42 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 3iby h GLU 133 CO -0.27 0.91 0.45 -0.22 -1.00 0.00 0.00 179.01 178.88 3iby h LYS 134 N 0.16 0.65 -0.74 2.33 3.64 -1.95 -2.52 116.57 118.13 3iby h LYS 134 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3iby h LYS 134 Cb 0.86 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 3iby h LYS 134 CO 0.07 0.43 0.42 1.25 -2.27 0.00 0.00 179.45 179.35 3iby h LEU 135 N 0.67 0.92 0.06 5.20 5.85 -1.08 -1.50 115.31 125.44 3iby h LEU 135 Ca 0.44 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.10 3iby h LEU 135 Cb 0.56 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3iby h LEU 135 CO -0.33 0.74 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.99 3iby h GLU 136 N 1.02 -0.61 -0.77 1.25 4.81 -0.99 0.38 114.58 119.67 3iby h GLU 136 Ca 0.26 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 3iby h GLU 136 Cb 0.01 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3iby h GLU 136 CO -0.04 -0.41 0.29 0.66 -0.73 0.00 0.00 179.01 178.78 3iby h SER 137 N -0.63 1.08 -0.17 1.04 4.64 -1.37 0.18 113.55 118.32 3iby h SER 137 Ca 0.03 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 3iby h SER 137 Cb 0.68 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3iby h SER 137 CO -0.29 0.97 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.53 3iby h LEU 138 N 1.13 0.32 -0.65 5.97 4.07 -1.06 -3.17 115.31 121.92 3iby h LEU 138 Ca 0.26 -0.37 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 3iby h LEU 138 Cb 0.24 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 3iby h LEU 138 CO -0.02 0.62 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.68 3iby h LEU 139 N 0.03 0.00 1.76 1.67 3.38 -0.15 -3.48 115.31 118.52 3iby h LEU 139 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 3iby h LEU 139 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3iby h LEU 139 CO 0.02 0.21 -0.32 0.61 0.09 0.00 0.00 178.44 179.05 3iby n GLY 140 N 0.61 -0.13 3.50 0.83 0.00 0.63 -4.86 105.19 105.77 3iby n GLY 140 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.05 6.77 -0.18 0.00 0.01 -1.26 -4.40 113.70 111.59 3iby s SER 142 Ca 0.26 2.54 0.00 0.00 1.31 0.00 0.00 55.95 60.06 3iby s SER 142 Cb 0.01 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3iby s SER 142 CO 0.09 -0.62 -0.09 -0.69 0.41 0.00 0.00 173.24 172.34 3iby s VAL 143 N 0.06 1.47 -0.32 3.43 1.01 -1.26 -1.09 120.40 123.70 3iby s VAL 143 Ca 0.58 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3iby s VAL 143 Cb -0.39 -1.54 0.06 0.00 0.00 0.00 0.00 36.38 34.50 3iby s VAL 143 CO 0.41 0.21 0.03 -0.63 0.00 0.00 0.00 175.10 175.12 3iby s ILE 144 N 1.48 3.09 0.09 2.22 -1.09 -0.24 -4.96 121.20 121.80 3iby s ILE 144 Ca 0.00 -1.44 -0.31 0.00 -2.23 0.00 0.00 60.65 56.67 3iby s ILE 144 Cb -0.15 -2.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.83 3iby s ILE 144 CO -0.08 -0.18 1.51 -2.84 -1.23 0.00 0.00 174.94 172.11 3iby s PRO 145 N 1.25 4.25 0.10 2.79 0.02 -1.26 -0.24 135.00 141.91 3iby s PRO 145 Ca -0.03 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.17 3iby s PRO 145 Cb -0.20 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 3iby s PRO 145 CO -0.01 -0.58 0.02 0.96 -0.33 0.00 0.00 177.00 177.06 3iby s ILE 146 N 1.79 0.17 -0.44 2.83 -4.36 0.17 -4.68 121.20 116.69 3iby s ILE 146 Ca 0.68 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 3iby s ILE 146 Cb -0.38 -1.86 0.15 0.00 1.25 0.00 0.00 42.46 41.62 3iby s ILE 146 CO 0.30 -0.66 0.29 -1.10 0.24 0.00 0.00 174.94 174.02 3iby s GLN 147 N -4.00 1.10 0.19 0.37 -0.21 -0.03 -2.85 119.66 114.23 3iby s GLN 147 Ca 0.18 -2.01 -0.13 0.00 0.02 0.00 0.00 55.36 53.42 3iby s GLN 147 Cb 0.08 -1.88 0.20 0.00 1.00 0.00 0.00 33.01 32.40 3iby s GLN 147 CO -0.02 -1.26 1.71 0.00 -2.12 0.00 0.00 175.29 173.59 3iby h ALA 148 N 6.30 0.55 -0.24 6.09 0.00 -1.93 -0.22 119.26 129.82 3iby h ALA 148 Ca 0.12 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3iby h ALA 148 Cb 0.91 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3iby h ALA 148 CO 0.41 -0.33 0.30 1.12 0.00 0.00 0.00 179.25 180.75 3iby h HIS 149 N 0.21 0.00 -0.09 0.00 -0.00 -1.94 -0.25 115.15 113.07 3iby h HIS 149 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 3iby h HIS 149 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3iby h HIS 149 CO -0.25 0.00 0.00 1.63 -0.00 0.00 0.00 177.93 179.31 3iby n LYS 150 N -3.64 1.35 -0.94 5.12 5.02 -0.40 -4.99 118.16 119.68 3iby n LYS 150 Ca 0.03 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 3iby n LYS 150 Cb 0.43 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3iby n LYS 150 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3iby n ASN 151 N 0.18 -3.55 -4.68 4.39 2.85 -0.11 -4.96 115.26 109.38 3iby n ASN 151 Ca 0.05 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.09 3iby n ASN 151 Cb 0.24 -1.94 -0.03 0.00 1.24 0.00 0.00 39.78 39.30 3iby n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3iby s ILE 152 N -1.67 3.96 0.00 -1.44 1.09 -0.81 -3.16 121.20 119.16 3iby s ILE 152 Ca 0.00 1.27 0.00 0.00 -1.10 0.00 0.00 60.65 60.82 3iby s ILE 152 Cb 0.00 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 3iby s ILE 152 CO 0.00 -0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.41 3iby n GLY 153 N 3.64 0.75 0.26 6.18 0.00 -1.26 -0.85 105.19 113.91 3iby n GLY 153 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 1.26 -0.87 -0.61 1.08 -1.89 -2.89 117.51 113.58 3iby h ILE 154 Ca 0.00 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.47 3iby h ILE 154 Cb 0.00 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3iby h ILE 154 CO 0.00 0.35 0.47 1.55 -0.69 0.00 0.00 178.15 179.83 3iby h PRO 155 N 0.75 1.22 -0.91 2.37 0.13 -1.93 -1.40 132.00 132.22 3iby h PRO 155 Ca 0.15 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3iby h PRO 155 Cb 0.43 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.28 3iby h PRO 155 CO 0.01 0.90 0.60 0.00 -0.23 0.00 0.00 178.00 179.29 3iby h ALA 156 N 1.25 1.17 -0.41 -0.56 0.00 -1.97 -0.56 119.26 118.19 3iby h ALA 156 Ca 0.30 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3iby h ALA 156 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iby h ALA 156 CO -0.05 0.54 -0.34 1.25 0.00 0.00 0.00 179.25 180.65 3iby h LEU 157 N 1.22 1.00 -0.50 0.00 5.85 -1.29 -1.01 115.31 120.57 3iby h LEU 157 Ca 0.34 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3iby h LEU 157 Cb -0.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 3iby h LEU 157 CO -0.08 1.23 0.30 1.56 -0.34 0.00 0.00 178.44 181.11 3iby h GLN 158 N 0.78 0.57 -0.29 1.25 4.20 -0.78 -1.01 115.11 119.84 3iby h GLN 158 Ca 0.07 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3iby h GLN 158 Cb 0.93 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 3iby h GLN 158 CO 0.09 0.38 -0.08 1.96 -0.67 0.00 0.00 178.83 180.51 3iby h GLN 159 N 0.59 0.48 -0.32 1.46 1.08 -0.69 -2.61 115.11 115.10 3iby h GLN 159 Ca 0.20 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 3iby h GLN 159 Cb 0.02 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3iby h GLN 159 CO -0.09 0.57 -0.36 1.03 -0.95 0.00 0.00 178.83 179.03 3iby h SER 160 N 0.45 0.77 -0.70 1.46 0.87 -0.71 -2.89 113.55 112.79 3iby h SER 160 Ca 0.09 -0.33 0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3iby h SER 160 Cb 0.42 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.08 3iby h SER 160 CO 0.02 1.05 0.27 -0.07 -0.53 0.00 0.00 176.83 177.58 3iby h LEU 161 N 0.61 0.26 -2.23 2.23 3.38 -0.81 -1.21 115.31 117.54 3iby h LEU 161 Ca 0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iby h LEU 161 Cb 0.89 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3iby h LEU 161 CO 0.08 0.12 0.10 -0.07 0.09 0.00 0.00 178.44 178.76 3iby h LEU 162 N 0.44 0.00 -2.96 1.67 3.38 -1.38 -0.80 115.31 115.66 3iby h LEU 162 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3iby h LEU 162 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3iby h LEU 162 CO -0.37 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.57 3iby n HIS 163 N -2.76 0.60 -1.93 1.13 8.25 -0.50 -4.91 115.22 115.10 3iby n HIS 163 Ca -0.02 -0.57 -0.32 0.00 -0.26 0.00 0.00 57.72 56.55 3iby n HIS 163 Cb 0.16 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 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 12.67 1.09 -4.86 0.00 2.88 -1.26 -4.82 113.62 119.32 3iby n SER 165 Ca 0.46 0.17 -0.32 0.00 -1.33 0.00 0.00 58.87 57.84 3iby n SER 165 Cb 0.45 -0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 3iby n SER 165 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iby s GLN 166 N -2.24 3.88 0.69 -1.46 0.00 -1.26 -4.66 119.66 114.61 3iby s GLN 166 Ca -0.11 0.42 -0.11 0.00 -0.00 0.00 0.00 55.36 55.56 3iby s GLN 166 Cb 0.03 -2.59 0.00 0.00 0.00 0.00 0.00 33.01 30.45 3iby s GLN 166 CO 0.15 0.27 1.06 -1.59 0.00 0.00 0.00 175.29 175.18 3iby s LYS 167 N -2.83 2.99 -0.21 9.60 -2.85 -1.26 -4.02 119.74 121.16 3iby s LYS 167 Ca 0.49 0.87 -0.08 0.00 -1.00 0.00 0.00 55.97 56.26 3iby s LYS 167 Cb -0.11 -2.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.62 3iby s LYS 167 CO 0.20 -1.04 0.07 0.42 0.10 0.00 0.00 175.35 175.10 3iby s ILE 168 N -3.09 4.69 0.20 3.79 -1.09 -1.26 -4.95 121.20 119.49 3iby s ILE 168 Ca 0.58 -0.06 -0.33 0.00 -2.23 0.00 0.00 60.65 58.61 3iby s ILE 168 Cb -0.13 -3.15 -0.13 0.00 -1.58 0.00 0.00 42.46 37.47 3iby s ILE 168 CO 0.55 0.41 1.54 0.29 -1.23 0.00 0.00 174.94 176.49 3iby n LYS 169 N 4.06 2.22 -1.66 2.79 5.02 -1.26 -4.75 118.16 124.58 3iby n LYS 169 Ca -0.16 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 3iby n LYS 169 Cb 0.52 -2.54 0.05 0.00 -0.02 0.00 0.00 35.03 33.04 3iby n LYS 169 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3iby n PRO 170 N 2.91 1.14 -1.91 1.97 -0.02 -1.26 -4.94 135.00 132.90 3iby n PRO 170 Ca 0.14 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 3iby n PRO 170 Cb 0.31 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3iby n PRO 170 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iby s LEU 171 N -2.49 4.30 -0.66 2.45 1.43 -1.26 -4.92 118.68 117.53 3iby s LEU 171 Ca 0.75 2.90 -0.27 0.00 -1.03 0.00 0.00 54.13 56.47 3iby s LEU 171 Cb -0.43 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.08 3iby s LEU 171 CO 0.48 -0.83 1.37 -1.59 0.23 0.00 0.00 176.35 176.00 3iby s LYS 172 N -2.09 3.20 0.45 1.70 0.00 -1.26 -5.00 119.74 116.74 3iby s LYS 172 Ca 0.53 0.10 -0.18 0.00 0.00 0.00 0.00 55.97 56.43 3iby s LYS 172 Cb -0.43 -4.16 -0.09 0.00 0.00 0.00 0.00 37.83 33.14 3iby s LYS 172 CO 0.58 -2.09 0.94 -0.51 0.00 0.00 0.00 175.35 174.26 3iby s LEU 173 N 6.08 3.82 -0.35 2.77 1.43 -1.26 -4.97 118.68 126.21 3iby s LEU 173 Ca 0.44 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 55.05 3iby s LEU 173 Cb -0.09 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.71 3iby s LEU 173 CO 0.20 -0.44 0.12 -0.55 0.23 0.00 0.00 176.35 175.91 3iby s SER 174 N -2.58 5.36 0.40 2.29 0.15 -1.26 -5.08 113.70 112.98 3iby s SER 174 Ca 0.60 -1.18 0.08 0.00 0.70 0.00 0.00 55.95 56.14 3iby s SER 174 Cb -0.10 -1.88 -0.06 0.00 -1.71 0.00 0.00 66.02 62.27 3iby s SER 174 CO 0.21 -0.35 0.12 -0.76 1.20 0.00 0.00 173.24 173.67 3iby s LEU 175 N 1.40 3.06 0.76 3.45 1.43 -1.26 -4.79 118.68 122.73 3iby s LEU 175 Ca -0.01 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 3iby s LEU 175 Cb -0.20 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.74 3iby s LEU 175 CO 0.03 -0.48 1.08 -0.94 0.23 0.00 0.00 176.35 176.27 3iby s SER 176 N -3.84 4.79 0.06 2.29 1.04 -1.26 -4.79 113.70 111.99 3iby s SER 176 Ca 0.39 1.50 -0.27 0.00 0.48 0.00 0.00 55.95 58.05 3iby s SER 176 Cb 0.04 -2.29 -0.17 0.00 0.10 0.00 0.00 66.02 63.71 3iby s SER 176 CO 0.21 -1.81 1.57 0.58 0.98 0.00 0.00 173.24 174.77 3iby h VAL 177 N -0.97 0.72 -0.75 5.02 2.07 -2.00 0.24 116.25 120.57 3iby h VAL 177 Ca -0.45 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.04 3iby h VAL 177 Cb 1.24 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 3iby h VAL 177 CO 0.57 0.04 0.21 0.00 0.02 0.00 0.00 177.57 178.41 3iby h ALA 178 N 0.17 1.01 0.03 1.67 0.00 -2.00 -0.63 119.26 119.51 3iby h ALA 178 Ca -0.04 0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3iby h ALA 178 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iby h ALA 178 CO 0.07 -0.33 -0.99 0.00 0.00 0.00 0.00 179.25 178.00 3iby h ALA 179 N 1.62 0.37 -0.19 0.00 0.00 -1.78 -2.47 119.26 116.81 3iby h ALA 179 Ca 0.43 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3iby h ALA 179 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3iby h ALA 179 CO -0.50 0.93 0.11 1.96 0.00 0.00 0.00 179.25 181.74 3iby h GLN 180 N 0.12 0.23 -0.57 0.00 1.08 -0.24 -2.38 115.11 113.35 3iby h GLN 180 Ca -0.07 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.19 3iby h GLN 180 Cb 1.65 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.97 3iby h GLN 180 CO 0.16 0.15 0.23 0.37 -0.95 0.00 0.00 178.83 178.79 3iby h GLN 181 N 0.23 0.42 -0.96 1.46 5.75 -1.07 0.23 115.11 121.18 3iby h GLN 181 Ca 0.07 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3iby h GLN 181 Cb -0.01 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3iby h GLN 181 CO -0.03 0.28 0.63 0.82 -2.65 0.00 0.00 178.83 177.88 3iby h ILE 182 N 0.43 1.22 -0.08 2.39 2.04 -1.35 -0.47 117.51 121.69 3iby h ILE 182 Ca 0.28 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3iby h ILE 182 Cb 0.30 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3iby h ILE 182 CO -0.26 0.23 0.03 -0.07 0.00 0.00 0.00 178.15 178.09 3iby h LEU 183 N 1.27 0.10 -0.47 1.44 3.38 -0.85 -1.88 115.31 118.31 3iby h LEU 183 Ca 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3iby h LEU 183 Cb -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3iby h LEU 183 CO -0.09 0.22 0.18 0.78 0.09 0.00 0.00 178.44 179.62 3iby h ASN 184 N -0.02 0.66 -0.68 -0.43 2.35 -0.72 0.43 115.58 117.17 3iby h ASN 184 Ca 0.03 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3iby h ASN 184 Cb 0.14 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3iby h ASN 184 CO -0.00 0.66 0.42 0.44 -1.65 0.00 0.00 177.43 177.30 3iby h ASP 185 N 0.62 0.69 -0.30 5.81 3.32 -1.06 0.89 116.42 126.39 3iby h ASP 185 Ca 0.16 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3iby h ASP 185 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3iby h ASP 185 CO -0.01 0.48 -0.43 0.25 -1.72 0.00 0.00 179.24 177.81 3iby h LEU 186 N 0.83 0.89 -0.03 1.55 5.85 -0.90 -0.78 115.31 122.73 3iby h LEU 186 Ca 0.28 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3iby h LEU 186 Cb 0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 3iby h LEU 186 CO -0.11 1.22 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.78 3iby h GLU 187 N 0.59 -0.47 -0.25 1.25 4.81 0.18 -2.64 114.58 118.05 3iby h GLU 187 Ca 0.03 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3iby h GLU 187 Cb 1.02 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3iby h GLU 187 CO 0.10 -0.32 -0.31 -0.91 -0.73 0.00 0.00 179.01 176.85 3iby h ASN 188 N -0.49 0.52 0.16 1.04 2.35 -0.61 -2.30 115.58 116.24 3iby h ASN 188 Ca 0.06 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 3iby h ASN 188 Cb 0.59 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3iby h ASN 188 CO -0.30 0.80 -0.39 0.06 -1.65 0.00 0.00 177.43 175.95 3iby h GLN 189 N 0.44 0.30 0.10 0.81 3.07 -1.10 -1.42 115.11 117.31 3iby h GLN 189 Ca 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 3iby h GLN 189 Cb 0.75 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 3iby h GLN 189 CO 0.06 0.65 -0.05 -0.07 0.09 0.00 0.00 178.83 179.51 3iby h LEU 190 N 0.26 -0.11 -0.61 0.06 3.38 -1.18 -1.29 115.31 115.82 3iby h LEU 190 Ca 0.03 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3iby h LEU 190 Cb 0.80 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 3iby h LEU 190 CO 0.06 -0.04 0.15 0.40 0.09 0.00 0.00 178.44 179.10 3iby h ILE 191 N -0.16 0.65 0.00 1.22 2.04 -1.27 -0.70 117.51 119.29 3iby h ILE 191 Ca -0.01 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3iby h ILE 191 Cb 0.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3iby h ILE 191 CO 0.02 0.05 -0.18 0.28 0.00 0.00 0.00 178.15 178.32 3iby h SER 192 N 0.28 0.00 1.07 1.72 0.02 -1.08 -1.13 113.55 114.43 3iby h SER 192 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3iby h SER 192 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3iby h SER 192 CO -0.39 0.18 0.00 0.29 -1.14 0.00 0.00 176.83 175.77 3iby n LYS 193 N -3.89 0.21 0.00 3.45 5.02 -0.32 -4.90 118.16 117.73 3iby n LYS 193 Ca -0.02 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3iby n LYS 193 Cb 0.27 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 0.67 1.19 3.77 0.72 0.00 -0.43 -5.09 105.19 106.02 3iby n GLY 194 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 3.20 0.85 1.61 2.02 -0.90 -4.99 117.35 117.14 3iby s TYR 195 Ca 0.00 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.17 3iby s TYR 195 Cb 0.00 -3.37 0.11 0.00 -0.40 0.00 0.00 41.96 38.30 3iby s TYR 195 CO 0.00 -1.13 1.16 0.15 -1.57 0.00 0.00 175.55 174.16 3iby s LYS 196 N -2.06 1.41 0.13 -0.62 1.02 -1.26 -4.44 119.74 113.91 3iby s LYS 196 Ca 0.53 1.58 -0.22 0.00 0.02 0.00 0.00 55.97 57.88 3iby s LYS 196 Cb -0.31 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3iby s LYS 196 CO 0.40 -2.35 1.67 -0.91 -0.92 0.00 0.00 175.35 173.24 3iby h ASN 197 N -1.41 -0.44 -0.56 2.83 2.35 -1.97 -1.22 115.58 115.17 3iby h ASN 197 Ca -0.44 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.47 3iby h ASN 197 Cb 1.27 0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.79 3iby h ASN 197 CO 0.44 -0.19 0.21 0.77 -1.65 0.00 0.00 177.43 177.02 3iby h SER 198 N -0.18 0.21 0.25 5.81 4.64 -1.91 -2.46 113.55 119.91 3iby h SER 198 Ca 0.09 0.07 -0.29 0.00 -0.47 0.00 0.00 61.79 61.18 3iby h SER 198 Cb 0.30 0.05 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3iby h SER 198 CO -0.22 0.14 -1.25 0.15 -0.87 0.00 0.00 176.83 174.77 3iby h PHE 199 N 0.39 0.89 -0.54 4.77 3.57 -1.79 -2.56 116.94 121.66 3iby h PHE 199 Ca 0.27 -0.58 0.11 0.00 3.53 0.00 0.00 57.97 61.31 3iby h PHE 199 Cb 0.31 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 3iby h PHE 199 CO -0.16 1.43 -0.09 0.00 -2.23 0.00 0.00 178.31 177.26 3iby h ALA 200 N 0.36 0.42 0.39 2.41 0.00 -1.05 1.15 119.26 122.95 3iby h ALA 200 Ca -0.18 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iby h ALA 200 Cb 1.93 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 20.06 3iby h ALA 200 CO 0.23 -0.42 -0.51 -0.92 0.00 0.00 0.00 179.25 177.62 3iby h TYR 201 N 0.04 -1.45 -0.20 0.00 3.20 -1.39 0.37 116.97 117.54 3iby h TYR 201 Ca 0.27 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.20 3iby h TYR 201 Cb 0.41 0.58 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 3iby h TYR 201 CO -0.41 -0.65 -0.11 -0.92 -1.64 0.00 0.00 178.16 174.43 3iby h TYR 202 N -0.94 -0.26 -0.57 -3.82 3.20 -0.98 -1.66 116.97 111.94 3iby h TYR 202 Ca -0.05 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3iby h TYR 202 Cb 0.84 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 3iby h TYR 202 CO -0.31 -0.17 0.21 0.35 -1.64 0.00 0.00 178.16 176.60 3iby h PHE 203 N -0.09 0.36 -0.99 -3.82 3.04 0.15 -1.41 116.94 114.17 3iby h PHE 203 Ca 0.11 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.10 3iby h PHE 203 Cb 0.26 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.64 3iby h PHE 203 CO -0.26 0.09 0.66 0.66 -2.02 0.00 0.00 178.31 177.44 3iby h SER 204 N 0.38 1.14 -0.34 0.41 4.64 0.62 0.06 113.55 120.46 3iby h SER 204 Ca 0.28 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3iby h SER 204 Cb 0.34 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3iby h SER 204 CO -0.29 0.82 -0.02 0.03 -0.87 0.00 0.00 176.83 176.49 3iby h ARG 205 N 1.34 0.62 0.00 4.77 -0.00 -1.06 -1.95 114.38 118.10 3iby h ARG 205 Ca 0.37 -0.21 -0.11 0.00 -0.50 0.00 0.00 59.98 59.52 3iby h ARG 205 Cb -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 29.76 3iby h ARG 205 CO -0.08 0.76 -0.54 0.00 0.00 0.00 0.00 179.97 180.10 3iby h ARG 206 N 0.42 0.00 0.19 0.04 -0.00 -0.56 -1.37 114.38 113.10 3iby h ARG 206 Ca 0.09 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 59.28 3iby h ARG 206 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.49 3iby h ARG 206 CO 0.02 0.54 -1.27 1.25 0.00 0.00 0.00 179.97 180.52 3iby h LEU 207 N 0.00 0.79 -1.85 3.04 5.85 -0.99 0.67 115.31 122.81 3iby h LEU 207 Ca -0.01 -0.89 -0.03 0.00 0.84 0.00 0.00 57.88 57.79 3iby h LEU 207 Cb 0.97 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3iby h LEU 207 CO 0.07 1.61 -0.14 0.00 -0.34 0.00 0.00 178.44 179.65 3iby h ALA 208 N 0.18 1.43 -0.00 1.25 0.00 -1.24 -1.14 119.26 119.75 3iby h ALA 208 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iby h ALA 208 Cb 1.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3iby h ALA 208 CO 0.24 0.17 -0.05 0.39 0.00 0.00 0.00 179.25 180.00 3iby n GLU 209 N -3.88 0.45 0.00 0.00 1.02 -0.53 -2.77 120.64 114.94 3iby n GLU 209 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3iby n GLU 209 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.31 1.04 3.68 0.62 0.00 -0.43 -4.72 105.19 106.70 3iby n GLY 210 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3iby n GLY 210 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iby n ASP 211 N 0.00 3.88 0.04 1.61 2.03 0.22 -4.51 116.55 119.82 3iby n ASP 211 Ca 0.00 0.98 -0.03 0.00 0.52 0.00 0.00 54.79 56.25 3iby n ASP 211 Cb 0.00 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 38.81 3iby n ASP 211 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iby h THR 212 N 4.86 0.91 0.20 5.18 1.03 -1.56 -3.38 112.91 120.15 3iby h THR 212 Ca -0.47 -2.53 -0.33 0.00 -0.01 0.00 0.00 66.41 63.07 3iby h THR 212 Cb 1.24 2.38 0.02 0.00 -1.07 0.00 0.00 68.15 70.71 3iby h THR 212 CO 0.94 0.52 -1.56 0.25 -0.01 0.00 0.00 175.52 175.66 3iby h LEU 213 N 0.00 0.67 -1.19 0.00 5.85 -1.90 -2.82 115.31 115.92 3iby h LEU 213 Ca -0.14 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.68 3iby h LEU 213 Cb 1.71 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 3iby h LEU 213 CO 0.08 1.72 0.55 -0.29 -0.34 0.00 0.00 178.44 180.16 3iby h ILE 214 N 0.05 1.17 -0.17 4.05 2.10 -1.95 -1.33 117.51 121.42 3iby h ILE 214 Ca -0.30 -0.37 -0.09 0.00 1.08 0.00 0.00 64.86 65.19 3iby h ILE 214 Cb 2.06 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 3iby h ILE 214 CO 0.20 0.20 -0.27 1.23 -1.08 0.00 0.00 178.15 178.43 3iby h GLY 215 N 1.08 0.35 0.71 8.18 0.00 -1.73 -0.56 103.07 111.11 3iby h GLY 215 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3iby h GLY 215 CO -0.08 0.26 -0.00 0.83 0.00 0.00 0.00 176.54 177.54 3iby h GLU 216 N 0.29 0.10 -0.88 4.80 5.08 -1.07 -0.80 114.58 122.09 3iby h GLU 216 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iby h GLU 216 Cb 0.64 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3iby h GLU 216 CO 0.05 0.39 0.54 0.87 -1.00 0.00 0.00 179.01 179.86 3iby h LYS 217 N -0.20 1.20 -0.01 2.33 1.57 -1.19 -2.93 116.57 117.33 3iby h LYS 217 Ca 0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3iby h LYS 217 Cb 0.35 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3iby h LYS 217 CO 0.00 0.83 -0.01 0.00 -0.57 0.00 0.00 179.45 179.70 3iby n ALA 218 N -2.40 2.66 -4.05 3.86 0.00 -0.23 -4.95 120.51 115.39 3iby n ALA 218 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 3iby n ALA 218 Cb 0.06 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 3iby n ALA 218 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iby n PHE 219 N -0.59 -1.89 -2.32 0.00 3.72 -1.03 -4.93 117.46 110.42 3iby n PHE 219 Ca 0.21 0.82 -0.16 0.00 -0.05 0.00 0.00 57.45 58.27 3iby n PHE 219 Cb 0.22 -3.49 0.03 0.00 -0.94 0.00 0.00 39.48 35.30 3iby n PHE 219 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iby n THR 220 N -4.47 2.08 0.19 4.37 -2.24 -0.34 -4.86 114.28 109.01 3iby n THR 220 Ca -0.04 -3.77 0.12 0.00 -2.27 0.00 0.00 64.05 58.09 3iby n THR 220 Cb 0.55 -0.27 0.67 0.00 -2.10 0.00 0.00 70.33 69.18 3iby n THR 220 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3iby h GLU 221 N 2.34 0.00 -0.94 -0.78 5.08 -1.91 -1.34 114.58 117.03 3iby h GLU 221 Ca 0.19 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3iby h GLU 221 Cb 1.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 3iby h GLU 221 CO 0.56 0.00 0.62 0.66 -1.00 0.00 0.00 179.01 179.85 3iby h SER 222 N 0.00 1.05 0.46 1.42 4.64 -1.93 -2.77 113.55 116.42 3iby h SER 222 Ca 0.07 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3iby h SER 222 Cb 0.29 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3iby h SER 222 CO -0.00 0.75 -0.15 0.25 -0.87 0.00 0.00 176.83 176.81 3iby h LEU 223 N 1.23 0.00 0.05 5.97 5.85 -1.64 -1.41 115.31 125.36 3iby h LEU 223 Ca 0.35 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.81 3iby h LEU 223 Cb -0.09 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.97 3iby h LEU 223 CO -0.09 0.15 -1.07 0.25 -0.34 0.00 0.00 178.44 177.33 3iby h LEU 224 N 0.00 0.86 -0.18 2.25 5.85 -1.55 -1.68 115.31 120.86 3iby h LEU 224 Ca -0.00 -0.78 -0.03 0.00 0.84 0.00 0.00 57.88 57.91 3iby h LEU 224 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3iby h LEU 224 CO 0.02 1.54 0.00 0.40 -0.34 0.00 0.00 178.44 180.05 3iby h ILE 225 N 0.28 1.25 -0.66 4.05 2.04 -1.46 -0.07 117.51 122.94 3iby h ILE 225 Ca -0.15 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 64.98 3iby h ILE 225 Cb 1.75 1.47 -0.12 0.00 -0.74 0.00 0.00 36.82 39.17 3iby h ILE 225 CO 0.21 0.26 -0.34 0.50 0.00 0.00 0.00 178.15 178.77 3iby h LYS 226 N 0.06 -0.13 -0.01 2.37 3.64 -1.30 -1.24 116.57 119.97 3iby h LYS 226 Ca 0.05 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3iby h LYS 226 Cb 0.38 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3iby h LYS 226 CO 0.01 -0.08 -0.78 -0.07 -2.27 0.00 0.00 179.45 176.25 3iby h LEU 227 N -0.13 0.17 0.00 5.20 3.38 -1.12 -3.35 115.31 119.46 3iby h LEU 227 Ca 0.25 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3iby h LEU 227 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3iby h LEU 227 CO -0.73 0.88 -2.05 0.00 0.09 0.00 0.00 178.44 176.63 3iby n GLN 228 N -3.69 0.72 -2.03 1.13 1.13 -0.06 -4.55 117.38 110.02 3iby n GLN 228 Ca -0.02 -0.13 -0.38 0.00 -1.94 0.00 0.00 57.00 54.53 3iby n GLN 228 Cb 0.74 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.60 3iby n GLN 228 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3iby n GLU 229 N -2.37 4.19 -4.33 -1.09 -0.58 -0.49 -4.69 120.64 111.28 3iby n GLU 229 Ca -0.13 -3.52 -0.17 0.00 -0.42 0.00 0.00 57.16 52.92 3iby n GLU 229 Cb 0.72 -2.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.03 3iby n GLU 229 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3iby s THR 230 N -2.47 0.90 -1.08 2.62 -4.23 -1.26 -4.99 115.64 105.14 3iby s THR 230 Ca 0.51 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3iby s THR 230 Cb 0.25 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.71 3iby s THR 230 CO -0.16 -0.23 1.18 -0.62 -0.54 0.00 0.00 174.62 174.25 3iby n GLU 231 N -0.44 0.02 0.23 3.99 -0.58 -1.26 -2.28 120.64 120.32 3iby n GLU 231 Ca -0.04 0.36 0.07 0.00 -0.42 0.00 0.00 57.16 57.13 3iby n GLU 231 Cb 0.65 -1.50 0.53 0.00 -0.57 0.00 0.00 31.44 30.55 3iby n GLU 231 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3iby h GLN 232 N 0.00 0.00 -6.65 3.49 1.08 -1.95 -3.47 115.11 107.61 3iby h GLN 232 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3iby h GLN 232 Cb 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3iby h GLN 232 CO 0.00 0.21 -0.98 0.09 -0.95 0.00 0.00 178.83 177.20 3iby n ASN 233 N -4.05 -4.66 -0.15 1.46 3.02 -0.96 -4.67 115.26 105.23 3iby n ASN 233 Ca -0.02 -1.18 -0.06 0.00 -0.03 0.00 0.00 54.58 53.29 3iby n ASN 233 Cb 0.29 -2.34 0.11 0.00 -0.61 0.00 0.00 39.78 37.22 3iby n ASN 233 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3iby h LEU 234 N -2.28 0.88 -1.05 3.41 5.85 -1.86 -0.51 115.31 119.75 3iby h LEU 234 Ca -0.69 -0.22 0.17 0.00 0.84 0.00 0.00 57.88 57.98 3iby h LEU 234 Cb 1.39 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 3iby h LEU 234 CO 0.50 0.92 0.62 -2.24 -0.34 0.00 0.00 178.44 177.90 3iby h ASP 235 N 0.85 0.80 -0.04 1.25 2.03 -1.80 0.03 116.42 119.54 3iby h ASP 235 Ca 0.16 0.08 -0.11 0.00 -0.73 0.00 0.00 57.03 56.43 3iby h ASP 235 Cb 0.46 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.90 3iby h ASP 235 CO 0.02 0.34 -0.39 0.58 -1.03 0.00 0.00 179.24 178.76 3iby h VAL 236 N 0.81 1.45 -0.51 4.15 2.07 -1.43 -1.16 116.25 121.64 3iby h VAL 236 Ca 0.54 -1.86 0.08 0.00 0.82 0.00 0.00 66.70 66.28 3iby h VAL 236 Cb 0.78 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 3iby h VAL 236 CO -0.33 0.53 0.12 -0.07 0.02 0.00 0.00 177.57 177.84 3iby h LEU 237 N -0.19 0.04 -0.12 2.57 3.38 -0.37 -0.44 115.31 120.17 3iby h LEU 237 Ca -0.04 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iby h LEU 237 Cb 1.07 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3iby h LEU 237 CO 0.08 0.05 0.02 -0.07 0.09 0.00 0.00 178.44 178.61 3iby h LEU 238 N 0.26 0.19 -0.32 1.67 4.07 -1.06 -2.22 115.31 117.90 3iby h LEU 238 Ca 0.25 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 58.03 3iby h LEU 238 Cb 0.33 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 3iby h LEU 238 CO -0.32 0.39 -0.14 0.00 -1.08 0.00 0.00 178.44 177.30 3iby h ALA 239 N 0.80 0.13 -0.64 1.53 0.00 -0.30 0.04 119.26 120.82 3iby h ALA 239 Ca 0.04 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3iby h ALA 239 Cb 0.28 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3iby h ALA 239 CO 0.00 -0.52 0.15 -0.44 0.00 0.00 0.00 179.25 178.44 3iby h ASP 240 N -0.08 0.03 -0.62 0.00 3.32 -1.11 0.17 116.42 118.13 3iby h ASP 240 Ca 0.16 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 3iby h ASP 240 Cb 0.33 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3iby h ASP 240 CO -0.38 0.01 0.17 0.00 -1.72 0.00 0.00 179.24 177.33 3iby h ALA 241 N 1.50 0.82 -0.35 3.45 0.00 -0.66 -0.70 119.26 123.32 3iby h ALA 241 Ca 0.34 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3iby h ALA 241 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iby h ALA 241 CO -0.42 0.51 -0.39 -0.09 0.00 0.00 0.00 179.25 178.86 3iby h ARG 242 N 0.90 0.88 -0.74 0.00 2.43 -0.60 -2.60 114.38 114.65 3iby h ARG 242 Ca 0.20 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3iby h ARG 242 Cb 0.33 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3iby h ARG 242 CO -0.00 1.13 0.47 -0.92 -1.51 0.00 0.00 179.97 179.13 3iby h TYR 243 N 0.68 0.95 -0.06 2.20 3.20 -0.31 -2.96 116.97 120.68 3iby h TYR 243 Ca 0.05 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 3iby h TYR 243 Cb 0.98 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 3iby h TYR 243 CO 0.07 0.62 -0.78 1.96 -1.64 0.00 0.00 178.16 178.39 3iby h GLN 244 N 1.02 0.40 -0.23 1.82 1.08 -0.86 -1.16 115.11 117.17 3iby h GLN 244 Ca 0.27 -0.35 -0.19 0.00 -1.45 0.00 0.00 58.65 56.93 3iby h GLN 244 Cb -0.08 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3iby h GLN 244 CO -0.05 1.00 -0.60 -0.22 -0.95 0.00 0.00 178.83 178.01 3iby h LYS 245 N 0.26 0.81 -0.47 1.46 1.63 -1.34 -0.71 116.57 118.21 3iby h LYS 245 Ca -0.04 -0.57 -0.12 0.00 -0.85 0.00 0.00 60.65 59.07 3iby h LYS 245 Cb 1.37 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.07 3iby h LYS 245 CO 0.13 1.19 -0.19 0.82 -3.45 0.00 0.00 179.45 177.95 3iby h ILE 246 N 0.56 1.27 -0.78 2.00 2.04 -1.48 -2.36 117.51 118.76 3iby h ILE 246 Ca -0.01 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3iby h ILE 246 Cb 1.22 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 3iby h ILE 246 CO 0.13 0.46 0.35 -0.74 0.00 0.00 0.00 178.15 178.35 3iby h HIS 247 N 0.82 1.15 -0.34 1.37 2.76 -0.78 0.47 115.15 120.60 3iby h HIS 247 Ca 0.11 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3iby h HIS 247 Cb 0.75 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3iby h HIS 247 CO 0.05 0.85 0.22 0.93 -1.30 0.00 0.00 177.93 178.67 3iby h GLU 248 N 1.12 0.43 -0.76 5.26 5.08 -0.80 0.41 114.58 125.32 3iby h GLU 248 Ca 0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3iby h GLU 248 Cb 0.15 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3iby h GLU 248 CO -0.03 0.29 0.42 0.82 -1.00 0.00 0.00 179.01 179.51 3iby h ILE 249 N 0.45 1.23 0.07 3.13 2.04 -0.91 -1.91 117.51 121.60 3iby h ILE 249 Ca 0.12 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3iby h ILE 249 Cb -0.04 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3iby h ILE 249 CO -0.03 0.25 -0.03 0.58 0.00 0.00 0.00 178.15 178.92 3iby h VAL 250 N 1.06 1.20 -0.82 1.67 2.07 -0.59 -2.76 116.25 118.08 3iby h VAL 250 Ca 0.27 -0.96 0.20 0.00 0.82 0.00 0.00 66.70 67.04 3iby h VAL 250 Cb 0.03 1.81 -0.13 0.00 -1.52 0.00 0.00 31.29 31.48 3iby h VAL 250 CO -0.04 0.24 0.14 0.74 0.02 0.00 0.00 177.57 178.66 3iby h THR 251 N -0.52 0.34 0.00 2.57 2.02 -0.80 0.22 112.91 116.74 3iby h THR 251 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3iby h THR 251 Cb 0.45 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3iby h THR 251 CO 0.01 0.03 0.00 -0.07 0.37 0.00 0.00 175.52 175.87 3iby h LEU 252 N 0.18 0.00 0.00 2.58 3.38 -1.19 -3.36 115.31 116.90 3iby h LEU 252 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3iby h LEU 252 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3iby h LEU 252 CO -0.65 0.00 -0.99 0.52 0.09 0.00 0.00 178.44 177.41 3iby n VAL 253 N -2.63 0.00 -4.93 1.22 0.31 -0.12 -5.00 118.33 107.18 3iby n VAL 253 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.04 3iby n VAL 253 Cb 0.32 -0.42 -0.17 0.00 -0.91 0.00 0.00 33.84 32.67 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 -1.99 2.84 -0.11 5.55 0.74 0.60 -1.48 119.66 125.81 3iby s GLN 254 Ca 0.00 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.62 3iby s GLN 254 Cb 0.00 -2.22 -0.02 0.00 1.10 0.00 0.00 33.01 31.87 3iby s GLN 254 CO 0.00 0.08 -0.14 0.15 -0.55 0.00 0.00 175.29 174.84 3iby s LYS 255 N 0.57 3.14 0.00 1.67 3.01 -0.74 -4.76 119.74 122.63 3iby s LYS 255 Ca -0.14 -0.69 0.00 0.00 -1.01 0.00 0.00 55.97 54.13 3iby s LYS 255 Cb -0.17 -2.55 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 3iby s LYS 255 CO 0.04 0.33 0.17 1.17 0.51 0.00 0.00 175.35 177.57