#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3v h SER 3 N 0.00 1.01 -3.71 0.00 0.87 -2.03 -3.40 113.55 106.29 1b3v h SER 3 Ca 0.00 -0.01 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1b3v h SER 3 Cb 0.00 -0.23 -0.15 0.00 -0.44 0.00 0.00 62.40 61.58 1b3v h SER 3 CO 0.00 0.68 -0.47 -0.69 -0.53 0.00 0.00 176.83 175.82 1b3v s VAL 4 N -5.99 5.32 -0.39 2.23 1.01 -1.26 -5.06 120.40 116.25 1b3v s VAL 4 Ca -0.12 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1b3v s VAL 4 Cb 0.19 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1b3v s VAL 4 CO 0.81 0.29 0.85 -0.55 0.00 0.00 0.00 175.10 176.50 1b3v s SER 5 N 1.38 6.57 0.55 3.32 0.15 -1.26 -4.91 113.70 119.49 1b3v s SER 5 Ca 0.09 0.35 0.31 0.00 0.70 0.00 0.00 55.95 57.39 1b3v s SER 5 Cb -0.15 -2.43 1.60 0.00 -1.71 0.00 0.00 66.02 63.34 1b3v s SER 5 CO 0.08 -0.84 2.12 0.16 1.20 0.00 0.00 173.24 175.95 1b3v h ILE 6 N 5.85 0.41 -0.13 6.45 3.07 -1.90 -1.82 117.51 129.43 1b3v h ILE 6 Ca -0.24 -0.42 -0.03 0.00 1.55 0.00 0.00 64.86 65.72 1b3v h ILE 6 Cb 1.08 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1b3v h ILE 6 CO 0.96 0.08 -0.02 -0.78 -1.05 0.00 0.00 178.15 177.33 1b3v h ASP 7 N 0.00 0.25 -0.78 2.16 3.58 -1.74 -1.25 116.42 118.64 1b3v h ASP 7 Ca -0.00 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1b3v h ASP 7 Cb 0.29 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1b3v h ASP 7 CO 0.01 0.54 0.49 0.00 -2.88 0.00 0.00 179.24 177.40 1b3v h ALA 8 N 0.72 1.37 -0.03 -0.78 0.00 -1.63 -1.23 119.26 117.68 1b3v h ALA 8 Ca 0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1b3v h ALA 8 Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b3v h ALA 8 CO 0.01 0.55 -0.74 0.87 0.00 0.00 0.00 179.25 179.94 1b3v h LYS 9 N 1.08 0.22 -0.13 0.00 1.79 -1.31 -2.47 116.57 115.76 1b3v h LYS 9 Ca 0.29 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 1b3v h LYS 9 Cb -0.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1b3v h LYS 9 CO -0.06 0.87 -0.26 0.35 -1.08 0.00 0.00 179.45 179.27 1b3v h PHE 10 N 0.15 0.51 -0.33 -1.35 3.57 -0.95 -3.04 116.94 115.49 1b3v h PHE 10 Ca -0.03 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.31 1b3v h PHE 10 Cb 1.31 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1b3v h PHE 10 CO 0.03 0.88 0.22 0.87 -2.23 0.00 0.00 178.31 178.07 1b3v h LYS 11 N -0.01 0.34 0.00 1.11 1.57 -1.24 -0.69 116.57 117.66 1b3v h LYS 11 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1b3v h LYS 11 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1b3v h LYS 11 CO 0.06 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1b3v h ALA 12 N 1.81 1.00 -0.55 3.86 0.00 -1.31 -0.88 119.26 123.18 1b3v h ALA 12 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1b3v h ALA 12 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1b3v h ALA 12 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1b3v n HIS 13 N -2.87 1.70 -0.65 0.00 8.25 -0.27 -4.90 115.22 116.48 1b3v n HIS 13 Ca -0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1b3v n HIS 13 Cb 0.11 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1b3v n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b3v n GLY 14 N 0.76 0.78 3.87 -1.41 0.00 -0.34 -5.05 105.19 103.80 1b3v n GLY 14 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1b3v n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3v s LYS 15 N -0.35 3.80 0.09 1.61 -0.14 -1.20 -5.02 119.74 118.53 1b3v s LYS 15 Ca 0.00 0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 55.18 1b3v s LYS 15 Cb 0.00 -2.30 -0.23 0.00 -1.68 0.00 0.00 37.83 33.62 1b3v s LYS 15 CO 0.00 -0.15 1.19 0.87 -0.76 0.00 0.00 175.35 176.50 1b3v h LYS 16 N 0.97 0.28 -1.65 1.68 1.57 -1.47 -3.36 116.57 114.61 1b3v h LYS 16 Ca -0.47 -0.44 0.25 0.00 -1.87 0.00 0.00 60.65 58.12 1b3v h LYS 16 Cb 1.19 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 33.49 1b3v h LYS 16 CO 0.63 1.18 0.75 1.52 -0.57 0.00 0.00 179.45 182.95 1b3v s TYR 17 N -2.80 -0.14 -0.25 -1.35 -0.85 -1.23 -4.92 117.35 105.82 1b3v s TYR 17 Ca -0.04 0.04 -0.03 0.00 -0.52 0.00 0.00 57.07 56.52 1b3v s TYR 17 Cb 0.08 0.54 0.08 0.00 0.38 0.00 0.00 41.96 43.03 1b3v s TYR 17 CO 0.88 -0.32 0.09 -1.17 -1.52 0.00 0.00 175.55 173.51 1b3v s LEU 18 N -2.48 0.98 0.00 -3.49 0.20 -1.26 -2.67 118.68 109.96 1b3v s LEU 18 Ca 0.10 -1.10 0.00 0.00 0.69 0.00 0.00 54.13 53.82 1b3v s LEU 18 Cb 0.00 -0.48 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1b3v s LEU 18 CO -0.05 -0.38 0.00 0.61 -0.29 0.00 0.00 176.35 176.24 1b3v n GLY 19 N 5.13 4.13 0.00 7.98 0.00 0.14 -1.78 105.19 120.79 1b3v n GLY 19 Ca -0.06 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1b3v n GLY 19 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b3v n THR 20 N -0.16 0.00 -4.67 2.61 5.66 -0.85 -0.15 114.28 116.71 1b3v n THR 20 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1b3v n THR 20 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1b3v n THR 20 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1b3v s ILE 21 N -2.32 1.68 -0.01 1.09 -4.36 -1.23 -2.27 121.20 113.78 1b3v s ILE 21 Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 1b3v s ILE 21 Cb 0.00 -2.68 0.11 0.00 1.25 0.00 0.00 42.46 41.14 1b3v s ILE 21 CO 0.00 0.00 1.28 -0.83 0.24 0.00 0.00 174.94 175.63 1b3v s GLY 22 N -3.77 -0.26 -0.07 6.27 0.00 -0.91 -4.74 107.32 103.84 1b3v s GLY 22 Ca 0.24 0.36 -0.32 0.00 0.00 0.00 0.00 44.72 45.00 1b3v s GLY 22 CO 0.12 2.74 1.29 0.99 0.00 0.00 0.00 173.10 178.24 1b3v s ASP 23 N -3.38 -0.07 0.15 1.64 1.01 -1.26 -1.52 116.67 113.24 1b3v s ASP 23 Ca 0.21 -0.09 -0.24 0.00 0.71 0.00 0.00 52.55 53.14 1b3v s ASP 23 Cb 0.02 0.14 0.00 0.00 1.01 0.00 0.00 42.92 44.09 1b3v s ASP 23 CO -0.02 -0.26 1.31 1.67 0.21 0.00 0.00 175.17 178.08 1b3v n GLN 24 N -0.39 -0.33 0.13 8.23 -0.06 -1.26 -1.67 117.38 122.02 1b3v n GLN 24 Ca -0.06 1.29 -0.16 0.00 -2.00 0.00 0.00 57.00 56.06 1b3v n GLN 24 Cb 0.62 -1.90 -0.10 0.00 -4.06 0.00 0.00 30.24 24.80 1b3v n GLN 24 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1b3v h TYR 25 N 0.00 -1.49 0.00 3.69 3.20 -1.97 -2.02 116.97 118.38 1b3v h TYR 25 Ca 0.17 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1b3v h TYR 25 Cb 0.38 0.63 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1b3v h TYR 25 CO -0.85 -0.60 -0.14 1.79 -1.64 0.00 0.00 178.16 176.72 1b3v h THR 26 N -0.78 0.48 -0.00 1.81 1.35 -1.89 0.28 112.91 114.17 1b3v h THR 26 Ca -0.01 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1b3v h THR 26 Cb 0.77 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1b3v h THR 26 CO -0.26 0.14 -0.02 0.18 -0.25 0.00 0.00 175.52 175.31 1b3v n LEU 27 N -3.46 0.05 0.00 3.87 4.77 -0.67 -4.06 117.00 117.49 1b3v n LEU 27 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1b3v n LEU 27 Cb 0.31 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1b3v n LEU 27 CO 0.31 0.01 0.02 0.35 -1.33 0.00 0.00 177.39 176.74 1b3v n THR 28 N -1.28 0.00 0.32 -5.08 -2.24 -0.68 -4.57 114.28 100.75 1b3v n THR 28 Ca 0.13 -0.15 0.21 0.00 -2.27 0.00 0.00 64.05 61.97 1b3v n THR 28 Cb 0.25 1.17 1.10 0.00 -2.10 0.00 0.00 70.33 70.75 1b3v n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1b3v h LYS 29 N 0.00 0.00 -2.77 -0.78 2.10 -0.62 -3.45 116.57 111.05 1b3v h LYS 29 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 1b3v h LYS 29 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1b3v h LYS 29 CO 0.00 0.01 0.44 0.54 -2.00 0.00 0.00 179.45 178.44 1b3v s ASN 30 N -5.44 0.01 0.03 7.07 2.20 -1.26 -5.07 114.94 112.49 1b3v s ASN 30 Ca -0.04 -0.92 0.03 0.00 -0.94 0.00 0.00 52.86 50.98 1b3v s ASN 30 Cb 0.13 0.67 -0.25 0.00 -2.00 0.00 0.00 41.25 39.80 1b3v s ASN 30 CO 0.46 -1.34 0.94 0.71 -2.94 0.00 0.00 177.10 174.93 1b3v h THR 31 N 2.00 1.26 -0.20 0.54 1.35 -1.96 -3.40 112.91 112.50 1b3v h THR 31 Ca -0.30 -2.96 -0.03 0.00 -0.55 0.00 0.00 66.41 62.57 1b3v h THR 31 Cb 1.23 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.37 1b3v h THR 31 CO 0.39 0.80 -0.01 0.11 -0.25 0.00 0.00 175.52 176.56 1b3v h LYS 32 N 0.04 0.36 0.05 4.72 1.57 -1.97 -3.17 116.57 118.17 1b3v h LYS 32 Ca -0.18 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1b3v h LYS 32 Cb 1.95 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.18 1b3v h LYS 32 CO 0.14 0.57 -0.36 -0.97 -0.57 0.00 0.00 179.45 178.26 1b3v h ASN 33 N 0.12 -1.08 0.21 0.86 -1.24 -1.87 0.16 115.58 112.74 1b3v h ASN 33 Ca 0.06 0.13 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1b3v h ASN 33 Cb 0.41 0.42 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 1b3v h ASN 33 CO 0.01 -0.43 -0.19 1.55 -1.29 0.00 0.00 177.43 177.09 1b3v h PRO 34 N -0.55 0.00 -0.28 6.67 0.13 -1.77 -1.88 132.00 134.32 1b3v h PRO 34 Ca 0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 1b3v h PRO 34 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1b3v h PRO 34 CO -0.26 0.19 -0.33 0.00 -0.23 0.00 0.00 178.00 177.36 1b3v h ALA 35 N 1.81 0.90 -0.35 -0.56 0.00 -1.28 -1.53 119.26 118.26 1b3v h ALA 35 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1b3v h ALA 35 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b3v h ALA 35 CO 0.02 0.62 -0.14 0.82 0.00 0.00 0.00 179.25 180.58 1b3v h ILE 36 N 0.51 1.28 -0.39 0.00 2.04 0.03 -2.31 117.51 118.67 1b3v h ILE 36 Ca 0.06 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1b3v h ILE 36 Cb 0.82 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1b3v h ILE 36 CO 0.07 0.41 0.22 0.40 0.00 0.00 0.00 178.15 179.25 1b3v h ILE 37 N 0.50 1.14 -0.13 -0.67 2.04 -1.17 0.66 117.51 119.88 1b3v h ILE 37 Ca 0.08 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1b3v h ILE 37 Cb 0.67 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1b3v h ILE 37 CO 0.05 0.14 -0.34 0.11 0.00 0.00 0.00 178.15 178.10 1b3v h LYS 38 N 0.50 0.27 0.08 2.37 1.57 -1.26 -2.87 116.57 117.23 1b3v h LYS 38 Ca 0.14 -0.11 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 1b3v h LYS 38 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1b3v h LYS 38 CO -0.02 0.58 -1.36 0.00 -0.57 0.00 0.00 179.45 178.08 1b3v h ALA 39 N 1.42 0.22 -0.00 3.86 0.00 -1.20 -3.42 119.26 120.12 1b3v h ALA 39 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1b3v h ALA 39 Cb 0.72 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1b3v h ALA 39 CO 0.05 0.81 -0.63 -0.25 0.00 0.00 0.00 179.25 179.23 1b3v n ASP 40 N -4.03 1.11 -4.30 0.00 8.00 0.21 -4.64 116.55 112.90 1b3v n ASP 40 Ca -0.26 -1.06 -0.22 0.00 0.71 0.00 0.00 54.79 53.96 1b3v n ASP 40 Cb 0.84 0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 1b3v n ASP 40 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b3v s PHE 41 N -2.37 1.74 0.00 1.24 0.08 -1.08 -2.54 117.98 115.05 1b3v s PHE 41 Ca 0.09 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1b3v s PHE 41 Cb 0.13 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 1b3v s PHE 41 CO 0.59 0.26 0.94 0.41 -0.10 0.00 0.00 175.22 177.32 1b3v n GLY 42 N 0.60 2.43 3.23 4.36 0.00 -0.74 -4.68 105.19 110.39 1b3v n GLY 42 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1b3v n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b3v s GLN 43 N -0.88 0.75 -0.00 1.61 -0.44 -1.26 -1.84 119.66 117.59 1b3v s GLN 43 Ca 0.00 -0.49 0.01 0.00 -2.50 0.00 0.00 55.36 52.37 1b3v s GLN 43 Cb 0.00 0.32 -0.00 0.00 -1.64 0.00 0.00 33.01 31.69 1b3v s GLN 43 CO 0.00 -0.23 -0.02 -0.51 0.50 0.00 0.00 175.29 175.03 1b3v s LEU 44 N -1.95 1.96 -0.09 3.68 1.43 0.83 -2.01 118.68 122.52 1b3v s LEU 44 Ca -0.06 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1b3v s LEU 44 Cb -0.02 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.08 1b3v s LEU 44 CO -0.02 0.02 -0.22 -0.89 0.23 0.00 0.00 176.35 175.47 1b3v s THR 45 N 0.01 1.90 0.16 5.49 2.01 -0.96 -1.56 115.64 122.68 1b3v s THR 45 Ca 0.00 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 1b3v s THR 45 Cb -0.02 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 1b3v s THR 45 CO -0.00 0.53 1.43 -2.16 -0.69 0.00 0.00 174.62 173.72 1b3v s PRO 46 N 0.40 4.30 0.28 4.92 0.04 -1.26 -2.13 135.00 141.55 1b3v s PRO 46 Ca -0.18 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1b3v s PRO 46 Cb -0.18 -3.20 0.43 0.00 0.04 0.00 0.00 34.50 31.59 1b3v s PRO 46 CO 0.08 -0.45 1.77 1.49 0.04 0.00 0.00 177.00 179.93 1b3v h GLU 47 N 6.33 0.60 0.00 4.56 4.81 -1.65 -3.42 114.58 125.81 1b3v h GLU 47 Ca -0.43 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1b3v h GLU 47 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1b3v h GLU 47 CO 0.85 0.70 0.00 0.09 -0.73 0.00 0.00 179.01 179.92 1b3v n ASN 48 N -4.19 0.00 0.29 1.04 3.02 -1.26 -4.97 115.26 109.20 1b3v n ASN 48 Ca 0.01 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.75 1b3v n ASN 48 Cb 0.34 0.00 0.99 0.00 -0.61 0.00 0.00 39.78 40.50 1b3v n ASN 48 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1b3v h SER 49 N 0.00 0.00 -0.03 6.41 4.64 -1.89 -2.68 113.55 120.00 1b3v h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b3v h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b3v h SER 49 CO 0.00 0.00 -0.09 0.23 -0.87 0.00 0.00 176.83 176.10 1b3v n MET 50 N -3.37 2.12 -1.23 4.77 2.81 -1.26 -4.16 117.12 116.80 1b3v n MET 50 Ca -0.01 -1.75 -0.30 0.00 -1.81 0.00 0.00 57.70 53.83 1b3v n MET 50 Cb 0.20 -1.46 0.13 0.00 -0.71 0.00 0.00 33.22 31.38 1b3v n MET 50 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1b3v s LYS 51 N -2.09 1.39 0.16 0.03 1.02 -1.01 -3.88 119.74 115.36 1b3v s LYS 51 Ca 0.26 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 56.93 1b3v s LYS 51 Cb 0.20 -1.82 0.07 0.00 -0.52 0.00 0.00 37.83 35.76 1b3v s LYS 51 CO 0.35 -2.15 1.73 2.35 -0.92 0.00 0.00 175.35 176.70 1b3v h TRP 52 N -1.49 0.11 -0.28 3.18 2.91 -1.73 -1.09 115.95 117.56 1b3v h TRP 52 Ca -0.49 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.55 1b3v h TRP 52 Cb 1.28 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.92 1b3v h TRP 52 CO 0.44 0.01 0.16 0.38 -1.03 0.00 0.00 178.44 178.41 1b3v h ASP 53 N 0.18 0.33 1.13 2.65 2.03 -1.74 0.14 116.42 121.13 1b3v h ASP 53 Ca 0.17 -0.01 -0.07 0.00 -0.73 0.00 0.00 57.03 56.39 1b3v h ASP 53 Cb 0.20 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1b3v h ASP 53 CO -0.23 0.26 -0.91 0.00 -1.03 0.00 0.00 179.24 177.33 1b3v h ALA 54 N 1.80 0.64 0.00 4.15 0.00 -1.74 -3.34 119.26 120.77 1b3v h ALA 54 Ca 0.10 -0.32 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 1b3v h ALA 54 Cb -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1b3v h ALA 54 CO -0.02 0.37 -2.31 0.25 0.00 0.00 0.00 179.25 177.55 1b3v n THR 55 N -2.88 1.31 -3.23 0.00 -2.24 -0.45 -4.47 114.28 102.31 1b3v n THR 55 Ca -0.02 -0.77 -0.25 0.00 -2.27 0.00 0.00 64.05 60.74 1b3v n THR 55 Cb 0.66 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1b3v n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1b3v n GLU 56 N -2.76 0.68 0.26 -0.78 2.13 0.44 -1.32 120.64 119.29 1b3v n GLU 56 Ca -0.32 -3.26 0.10 0.00 0.66 0.00 0.00 57.16 54.34 1b3v n GLU 56 Cb 1.10 -1.31 0.69 0.00 0.27 0.00 0.00 31.44 32.18 1b3v n GLU 56 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1b3v h PRO 57 N 4.26 0.00 -4.75 5.31 0.13 -1.68 -3.43 132.00 131.85 1b3v h PRO 57 Ca 0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.91 1b3v h PRO 57 Cb 0.88 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.78 1b3v h PRO 57 CO 0.46 0.09 -0.75 -0.80 -0.23 0.00 0.00 178.00 176.76 1b3v s ASN 58 N -6.59 1.05 -0.33 1.44 0.01 -1.25 -4.92 114.94 104.34 1b3v s ASN 58 Ca -0.04 -0.49 -0.35 0.00 -0.71 0.00 0.00 52.86 51.26 1b3v s ASN 58 Cb 0.15 -0.01 -0.11 0.00 0.41 0.00 0.00 41.25 41.69 1b3v s ASN 58 CO 0.63 -0.12 2.16 -1.14 -1.51 0.00 0.00 177.10 177.12 1b3v n ARG 59 N 1.67 1.13 -1.00 -0.60 0.63 -1.26 -1.22 116.66 116.00 1b3v n ARG 59 Ca -0.21 0.32 -0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1b3v n ARG 59 Cb 0.55 -2.47 -0.00 0.00 0.45 0.00 0.00 32.46 30.99 1b3v n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b3v n GLY 60 N 6.39 0.47 2.99 5.14 0.00 -1.26 -5.01 105.19 113.91 1b3v n GLY 60 Ca 0.40 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1b3v n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b3v s GLN 61 N -0.29 1.97 0.08 1.61 -0.21 -0.36 -5.11 119.66 117.35 1b3v s GLN 61 Ca 0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1b3v s GLN 61 Cb 0.00 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1b3v s GLN 61 CO 0.00 -0.48 0.28 -0.06 -2.12 0.00 0.00 175.29 172.90 1b3v s PHE 62 N 1.36 3.51 -0.23 0.91 0.40 -1.26 -3.81 117.98 118.86 1b3v s PHE 62 Ca -0.03 0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.70 1b3v s PHE 62 Cb -0.17 -1.89 0.07 0.00 0.51 0.00 0.00 43.02 41.54 1b3v s PHE 62 CO -0.07 0.54 0.03 0.95 0.70 0.00 0.00 175.22 177.37 1b3v s THR 63 N -1.52 0.81 -0.19 0.64 -4.23 -0.44 -5.00 115.64 105.72 1b3v s THR 63 Ca 0.35 -0.89 0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1b3v s THR 63 Cb -0.13 -1.34 0.41 0.00 1.34 0.00 0.00 72.50 72.78 1b3v s THR 63 CO 0.24 -0.30 1.29 0.49 -0.54 0.00 0.00 174.62 175.81 1b3v n PHE 64 N 4.92 0.53 0.13 3.99 3.72 -1.26 -4.21 117.46 125.28 1b3v n PHE 64 Ca -0.08 -0.89 -0.13 0.00 -0.05 0.00 0.00 57.45 56.30 1b3v n PHE 64 Cb 0.45 -0.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 1b3v n PHE 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1b3v h SER 65 N 1.06 -0.29 -0.10 4.37 0.87 -1.95 -0.92 113.55 116.60 1b3v h SER 65 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1b3v h SER 65 Cb 1.20 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1b3v h SER 65 CO 0.12 -0.19 0.04 1.23 -0.53 0.00 0.00 176.83 177.50 1b3v h GLY 66 N -0.29 0.16 1.55 5.77 0.00 -1.89 -2.62 103.07 105.74 1b3v h GLY 66 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1b3v h GLY 66 CO 0.01 0.08 -0.07 1.48 0.00 0.00 0.00 176.54 178.05 1b3v h SER 67 N -0.01 0.53 -0.36 0.19 4.64 -1.72 -2.52 113.55 114.30 1b3v h SER 67 Ca 0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1b3v h SER 67 Cb 0.19 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1b3v h SER 67 CO -0.00 0.65 0.24 0.44 -0.87 0.00 0.00 176.83 177.28 1b3v h ASP 68 N 0.52 0.41 -0.27 4.97 3.32 -1.05 -1.24 116.42 123.08 1b3v h ASP 68 Ca 0.10 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1b3v h ASP 68 Cb 0.44 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1b3v h ASP 68 CO 0.02 0.30 0.16 0.22 -1.72 0.00 0.00 179.24 178.22 1b3v h TYR 69 N 0.49 0.36 -0.14 4.55 5.03 -1.23 -0.53 116.97 125.48 1b3v h TYR 69 Ca 0.13 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1b3v h TYR 69 Cb -0.05 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 1b3v h TYR 69 CO -0.05 0.27 0.07 1.25 -1.32 0.00 0.00 178.16 178.38 1b3v h LEU 70 N 0.34 0.18 -0.09 2.82 7.12 -1.25 -0.72 115.31 123.71 1b3v h LEU 70 Ca 0.10 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1b3v h LEU 70 Cb 0.01 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.09 1b3v h LEU 70 CO -0.02 0.23 0.05 0.58 -0.13 0.00 0.00 178.44 179.15 1b3v h VAL 71 N 0.12 1.04 -0.92 1.05 2.07 -1.15 -1.60 116.25 116.85 1b3v h VAL 71 Ca 0.05 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1b3v h VAL 71 Cb 0.09 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1b3v h VAL 71 CO -0.01 0.04 0.61 0.78 0.02 0.00 0.00 177.57 179.01 1b3v h ASN 72 N 0.09 1.02 -0.34 0.57 2.35 -1.02 0.13 115.58 118.39 1b3v h ASN 72 Ca 0.03 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1b3v h ASN 72 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1b3v h ASN 72 CO -0.01 0.72 0.13 0.15 -1.65 0.00 0.00 177.43 176.77 1b3v h PHE 73 N 1.20 0.52 0.23 1.19 3.04 -0.85 0.08 116.94 122.35 1b3v h PHE 73 Ca 0.36 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1b3v h PHE 73 Cb -0.05 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1b3v h PHE 73 CO -0.01 0.50 -0.11 0.00 -2.02 0.00 0.00 178.31 176.67 1b3v h ALA 74 N 0.97 -0.30 -0.83 2.41 0.00 -0.71 -2.52 119.26 118.27 1b3v h ALA 74 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b3v h ALA 74 Cb 0.20 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1b3v h ALA 74 CO -0.01 -0.60 0.54 0.37 0.00 0.00 0.00 179.25 179.55 1b3v h GLN 75 N -0.44 1.02 0.00 0.00 -0.00 -0.75 0.09 115.11 115.04 1b3v h GLN 75 Ca -0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1b3v h GLN 75 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1b3v h GLN 75 CO 0.05 0.68 0.00 0.43 0.00 0.00 0.00 178.83 179.99 1b3v n SER 76 N -4.56 0.56 -0.15 -0.69 7.64 0.01 -2.98 113.62 113.45 1b3v n SER 76 Ca 0.10 0.66 0.07 0.00 1.01 0.00 0.00 58.87 60.72 1b3v n SER 76 Cb 0.08 -0.77 0.10 0.00 -1.01 0.00 0.00 64.21 62.61 1b3v n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1b3v n ASN 77 N -2.15 1.83 -2.09 6.43 3.02 -0.47 -5.00 115.26 116.84 1b3v n ASN 77 Ca 0.01 -2.80 -0.17 0.00 -0.03 0.00 0.00 54.58 51.60 1b3v n ASN 77 Cb 0.18 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1b3v n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b3v n GLY 78 N -1.10 -0.26 3.72 7.41 0.00 -0.76 -5.00 105.19 109.19 1b3v n GLY 78 Ca 0.12 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1b3v n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3v s LYS 79 N -5.10 3.81 0.58 1.61 -0.14 -0.10 -4.92 119.74 115.47 1b3v s LYS 79 Ca 0.11 -0.27 -0.17 0.00 -1.36 0.00 0.00 55.97 54.27 1b3v s LYS 79 Cb -0.05 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1b3v s LYS 79 CO 0.14 0.44 1.10 -0.51 -0.76 0.00 0.00 175.35 175.76 1b3v s LEU 80 N -0.07 3.60 -0.01 3.17 1.02 -0.77 -4.26 118.68 121.36 1b3v s LEU 80 Ca 0.08 2.04 0.07 0.00 0.02 0.00 0.00 54.13 56.34 1b3v s LEU 80 Cb -0.12 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.51 1b3v s LEU 80 CO 0.01 -1.31 -0.23 -0.63 0.02 0.00 0.00 176.35 174.21 1b3v s ILE 81 N -2.08 1.79 -0.22 -0.59 1.01 -1.26 -0.12 121.20 119.72 1b3v s ILE 81 Ca 0.69 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1b3v s ILE 81 Cb -0.21 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.80 1b3v s ILE 81 CO 0.33 0.49 -0.12 -0.13 0.00 0.00 0.00 174.94 175.51 1b3v s ARG 82 N -0.57 2.85 0.35 2.79 0.52 -0.60 -1.20 118.95 123.09 1b3v s ARG 82 Ca 0.09 -0.95 -0.27 0.00 -0.52 0.00 0.00 55.73 54.08 1b3v s ARG 82 Cb -0.09 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 1b3v s ARG 82 CO -0.01 -0.34 1.14 0.20 0.02 0.00 0.00 175.30 176.32 1b3v s GLY 83 N 1.29 2.94 -0.30 -3.53 0.00 0.22 -4.12 107.32 103.82 1b3v s GLY 83 Ca 0.01 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 1b3v s GLY 83 CO -0.08 1.49 0.67 -1.58 0.00 0.00 0.00 173.10 173.60 1b3v s HIS 84 N -1.32 -1.33 -0.04 1.90 5.04 -1.26 -1.24 115.29 117.04 1b3v s HIS 84 Ca 0.52 2.21 -0.07 0.00 -1.54 0.00 0.00 55.06 56.18 1b3v s HIS 84 Cb -0.31 0.76 0.01 0.00 0.04 0.00 0.00 32.58 33.09 1b3v s HIS 84 CO 0.40 -0.67 0.18 -0.08 -2.34 0.00 0.00 174.74 172.23 1b3v s THR 85 N 2.87 0.04 -0.03 0.89 -1.32 -1.25 -3.61 115.64 113.22 1b3v s THR 85 Ca -0.03 -0.30 -0.25 0.00 -1.21 0.00 0.00 61.69 59.90 1b3v s THR 85 Cb -0.12 -0.36 -0.21 0.00 -1.51 0.00 0.00 72.50 70.31 1b3v s THR 85 CO -0.19 -0.16 1.16 -0.07 -2.21 0.00 0.00 174.62 173.14 1b3v h LEU 86 N 5.12 0.13 -7.83 9.08 3.38 -1.41 -3.38 115.31 120.40 1b3v h LEU 86 Ca -0.28 -0.63 -0.59 0.00 0.09 0.00 0.00 57.88 56.48 1b3v h LEU 86 Cb 1.19 -0.04 -0.36 0.00 0.09 0.00 0.00 40.66 41.54 1b3v h LEU 86 CO 0.40 0.73 -0.82 -0.69 0.09 0.00 0.00 178.44 178.15 1b3v s VAL 87 N -3.72 1.47 -0.04 1.22 1.01 0.57 -4.83 120.40 116.09 1b3v s VAL 87 Ca -0.16 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 1b3v s VAL 87 Cb 0.02 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 35.02 1b3v s VAL 87 CO 0.71 0.39 0.57 0.86 0.00 0.00 0.00 175.10 177.62 1b3v s TRP 88 N 1.52 -0.51 -0.37 5.22 -0.00 -1.26 -1.06 118.94 122.48 1b3v s TRP 88 Ca 0.04 0.86 0.23 0.00 -0.00 0.00 0.00 56.10 57.23 1b3v s TRP 88 Cb -0.13 0.32 0.21 0.00 -0.00 0.00 0.00 33.47 33.87 1b3v s TRP 88 CO -0.10 -0.55 1.38 1.12 -0.00 0.00 0.00 176.95 178.81 1b3v h HIS 89 N 3.25 0.00 -2.80 5.86 2.07 -1.89 -3.44 115.15 118.20 1b3v h HIS 89 Ca -0.28 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.69 1b3v h HIS 89 Cb 1.15 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.11 1b3v h HIS 89 CO 0.42 0.00 -0.39 0.45 -3.07 0.00 0.00 177.93 175.34 1b3v s SER 90 N -5.81 6.38 -1.43 3.10 0.15 -1.26 -4.43 113.70 110.40 1b3v s SER 90 Ca 0.04 0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.97 1b3v s SER 90 Cb 0.07 -1.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1b3v s SER 90 CO 0.72 0.02 0.74 0.00 1.20 0.00 0.00 173.24 175.92 1b3v n GLN 91 N -0.44 -4.64 -4.65 5.44 6.02 -1.26 -4.91 117.38 112.94 1b3v n GLN 91 Ca -0.05 0.55 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 1b3v n GLN 91 Cb 0.53 -5.14 -0.16 0.00 1.02 0.00 0.00 30.24 26.50 1b3v n GLN 91 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1b3v s LEU 92 N -6.98 2.36 0.49 1.08 2.96 -1.26 -2.25 118.68 115.07 1b3v s LEU 92 Ca 0.28 -0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 1b3v s LEU 92 Cb -0.14 -1.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.95 1b3v s LEU 92 CO 0.84 0.10 1.22 -2.65 -1.32 0.00 0.00 176.35 174.54 1b3v n PRO 93 N 3.97 1.64 0.23 0.98 -0.02 -1.26 -4.88 135.00 135.66 1b3v n PRO 93 Ca -0.19 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 1b3v n PRO 93 Cb 0.52 -2.37 0.82 0.00 -0.02 0.00 0.00 33.50 32.45 1b3v n PRO 93 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1b3v h GLY 94 N 1.59 0.00 2.00 -1.23 0.00 -1.98 -1.45 103.07 101.99 1b3v h GLY 94 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1b3v h GLY 94 CO 0.57 0.00 -0.13 0.11 0.00 0.00 0.00 176.54 177.10 1b3v h TRP 95 N 0.00 0.00 0.00 5.60 5.08 -1.91 -2.35 115.95 122.37 1b3v h TRP 95 Ca 0.06 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.01 1b3v h TRP 95 Cb 0.31 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1b3v h TRP 95 CO 0.00 0.13 -0.13 0.28 -1.28 0.00 0.00 178.44 177.43 1b3v h VAL 96 N 0.00 1.44 0.00 0.12 2.07 -1.62 -3.35 116.25 114.91 1b3v h VAL 96 Ca -0.00 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1b3v h VAL 96 Cb 0.38 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1b3v h VAL 96 CO 0.02 0.49 0.00 -1.54 0.02 0.00 0.00 177.57 176.55 1b3v n SER 97 N -4.62 0.35 0.00 0.57 3.41 -1.17 -2.05 113.62 110.12 1b3v n SER 97 Ca -0.11 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1b3v n SER 97 Cb 0.43 -0.68 0.26 0.00 -0.26 0.00 0.00 64.21 63.96 1b3v n SER 97 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b3v n SER 98 N -1.92 0.49 -4.71 4.04 3.41 -0.89 -4.89 113.62 109.14 1b3v n SER 98 Ca 0.01 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 1b3v n SER 98 Cb 0.13 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1b3v n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1b3v s ILE 99 N -3.00 3.53 -0.12 -1.33 1.01 -0.87 -4.92 121.20 115.50 1b3v s ILE 99 Ca 0.11 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.94 1b3v s ILE 99 Cb 0.17 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 1b3v s ILE 99 CO 0.70 0.09 0.23 0.35 0.00 0.00 0.00 174.94 176.30 1b3v n THR 100 N 3.94 0.00 -2.97 2.92 -2.24 -1.26 -4.95 114.28 109.71 1b3v n THR 100 Ca 0.11 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1b3v n THR 100 Cb 0.44 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1b3v n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3v s ASP 101 N -2.58 6.65 0.15 3.42 2.15 -1.26 -4.94 116.67 120.25 1b3v s ASP 101 Ca -0.01 0.66 -0.30 0.00 0.43 0.00 0.00 52.55 53.33 1b3v s ASP 101 Cb 0.05 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1b3v s ASP 101 CO 0.34 -0.57 1.56 0.50 -0.17 0.00 0.00 175.17 176.82 1b3v h LYS 102 N 8.08 -0.31 0.00 4.34 3.64 -1.94 -0.69 116.57 129.69 1b3v h LYS 102 Ca -0.25 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1b3v h LYS 102 Cb 1.10 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1b3v h LYS 102 CO 0.86 -0.21 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.88 1b3v h ASN 103 N -0.32 0.00 -0.11 4.20 2.35 -1.93 -0.67 115.58 119.09 1b3v h ASN 103 Ca 0.12 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 1b3v h ASN 103 Cb 0.58 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.96 1b3v h ASN 103 CO -0.63 0.05 -0.76 0.74 -1.65 0.00 0.00 177.43 175.18 1b3v h THR 104 N 0.00 1.29 -0.31 2.81 2.02 -1.63 -2.19 112.91 114.89 1b3v h THR 104 Ca -0.00 -1.98 -0.15 0.00 0.77 0.00 0.00 66.41 65.05 1b3v h THR 104 Cb 0.09 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1b3v h THR 104 CO 0.01 0.63 -0.41 0.25 0.37 0.00 0.00 175.52 176.36 1b3v h LEU 105 N 0.52 0.82 -0.58 2.58 5.85 -0.39 -2.02 115.31 122.09 1b3v h LEU 105 Ca -0.05 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1b3v h LEU 105 Cb 1.38 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1b3v h LEU 105 CO 0.15 1.13 0.34 0.40 -0.34 0.00 0.00 178.44 180.12 1b3v h ILE 106 N 0.63 1.18 -0.60 4.05 2.04 -1.14 0.21 117.51 123.89 1b3v h ILE 106 Ca 0.05 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1b3v h ILE 106 Cb 0.97 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1b3v h ILE 106 CO 0.09 0.19 0.36 -1.28 0.00 0.00 0.00 178.15 177.51 1b3v h SER 107 N 0.79 0.71 -0.04 1.72 0.87 -1.25 -1.20 113.55 115.15 1b3v h SER 107 Ca 0.21 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1b3v h SER 107 Cb 0.00 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1b3v h SER 107 CO -0.04 0.56 0.00 0.58 -0.53 0.00 0.00 176.83 177.41 1b3v h VAL 108 N 0.81 1.24 -0.34 2.23 2.07 -0.89 -1.41 116.25 119.95 1b3v h VAL 108 Ca 0.21 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1b3v h VAL 108 Cb -0.03 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1b3v h VAL 108 CO -0.04 0.19 -0.02 0.25 0.02 0.00 0.00 177.57 177.98 1b3v h LEU 109 N -0.20 -0.17 -0.62 2.57 5.85 -0.44 -0.64 115.31 121.65 1b3v h LEU 109 Ca 0.01 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1b3v h LEU 109 Cb 0.31 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1b3v h LEU 109 CO 0.00 -0.05 0.08 0.11 -0.34 0.00 0.00 178.44 178.24 1b3v h LYS 110 N 0.07 1.04 -0.57 1.25 1.57 -1.19 -1.81 116.57 116.92 1b3v h LYS 110 Ca 0.16 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1b3v h LYS 110 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1b3v h LYS 110 CO -0.29 0.98 0.06 -0.97 -0.57 0.00 0.00 179.45 178.66 1b3v h ASN 111 N 0.95 0.91 -0.22 0.86 -1.24 -0.79 -0.33 115.58 115.72 1b3v h ASN 111 Ca 0.18 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 1b3v h ASN 111 Cb 0.46 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 1b3v h ASN 111 CO 0.02 0.94 -0.18 -0.74 -1.29 0.00 0.00 177.43 176.18 1b3v h HIS 112 N 0.89 0.60 -0.07 0.67 2.76 -0.98 -0.99 115.15 118.02 1b3v h HIS 112 Ca 0.17 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1b3v h HIS 112 Cb 0.44 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1b3v h HIS 112 CO 0.03 0.83 0.04 0.82 -1.30 0.00 0.00 177.93 178.34 1b3v h ILE 113 N 0.20 1.09 -0.03 6.26 2.04 -1.19 -2.37 117.51 123.52 1b3v h ILE 113 Ca 0.04 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1b3v h ILE 113 Cb 0.71 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1b3v h ILE 113 CO 0.05 0.08 -0.04 0.74 0.00 0.00 0.00 178.15 178.97 1b3v h THR 114 N 0.01 0.88 -0.24 -0.27 2.02 -1.05 -1.03 112.91 113.24 1b3v h THR 114 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1b3v h THR 114 Cb 0.09 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1b3v h THR 114 CO -0.00 0.00 0.02 0.74 0.37 0.00 0.00 175.52 176.64 1b3v h THR 115 N -0.07 1.24 -0.52 3.16 2.02 -1.19 0.39 112.91 117.94 1b3v h THR 115 Ca 0.03 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 1b3v h THR 115 Cb 0.10 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1b3v h THR 115 CO -0.07 0.26 0.02 0.58 0.37 0.00 0.00 175.52 176.69 1b3v h VAL 116 N 0.19 1.26 -0.25 3.16 2.07 -1.38 -2.80 116.25 118.51 1b3v h VAL 116 Ca 0.07 -1.06 -0.20 0.00 0.82 0.00 0.00 66.70 66.33 1b3v h VAL 116 Cb 0.37 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1b3v h VAL 116 CO 0.01 0.38 -0.62 0.24 0.02 0.00 0.00 177.57 177.59 1b3v h MET 117 N 0.78 0.86 -0.81 1.57 2.07 -1.18 -3.23 114.93 114.98 1b3v h MET 117 Ca 0.15 -0.59 -0.00 0.00 -2.07 0.00 0.00 59.70 57.19 1b3v h MET 117 Cb 0.50 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.28 1b3v h MET 117 CO 0.02 1.22 0.49 1.15 1.07 0.00 0.00 176.91 180.86 1b3v h THR 118 N 0.63 1.22 0.00 2.22 2.02 -0.90 -1.63 112.91 116.48 1b3v h THR 118 Ca -0.01 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1b3v h THR 118 Cb 1.24 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1b3v h THR 118 CO 0.14 0.23 -0.04 -0.09 0.37 0.00 0.00 175.52 176.12 1b3v h ARG 119 N 1.11 0.00 -0.02 6.66 2.43 -1.51 -2.42 114.38 120.64 1b3v h ARG 119 Ca 0.29 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1b3v h ARG 119 Cb -0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1b3v h ARG 119 CO -0.06 0.04 -0.10 0.66 -1.51 0.00 0.00 179.97 179.01 1b3v n TYR 120 N -4.16 0.08 -1.70 2.20 4.01 -0.95 -5.05 117.16 111.58 1b3v n TYR 120 Ca -0.03 -1.10 -0.55 0.00 -0.16 0.00 0.00 57.90 56.06 1b3v n TYR 120 Cb 0.13 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 38.91 1b3v n TYR 120 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1b3v n LYS 121 N -1.32 1.41 0.00 -0.72 4.81 -0.65 -1.04 118.16 120.65 1b3v n LYS 121 Ca 0.17 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1b3v n LYS 121 Cb 0.67 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1b3v n LYS 121 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b3v n GLY 122 N 4.25 0.96 0.00 3.14 0.00 -1.26 -4.88 105.19 107.41 1b3v n GLY 122 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1b3v n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b3v n LYS 123 N -2.00 1.52 -3.47 1.61 5.02 -0.21 -4.93 118.16 115.69 1b3v n LYS 123 Ca 0.00 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 1b3v n LYS 123 Cb 0.00 -1.27 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 1b3v n LYS 123 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b3v s ILE 124 N -2.62 5.23 -0.00 -0.18 -1.09 -1.24 -4.45 121.20 116.85 1b3v s ILE 124 Ca 0.04 0.44 -0.25 0.00 -2.23 0.00 0.00 60.65 58.65 1b3v s ILE 124 Cb 0.12 -3.64 -0.17 0.00 -1.58 0.00 0.00 42.46 37.19 1b3v s ILE 124 CO 0.65 0.21 1.22 0.22 -1.23 0.00 0.00 174.94 176.02 1b3v h TYR 125 N 8.05 -0.28 -3.91 3.97 3.20 -1.50 -3.38 116.97 123.12 1b3v h TYR 125 Ca -0.34 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.36 1b3v h TYR 125 Cb 1.17 0.09 -0.21 0.00 1.54 0.00 0.00 36.73 39.33 1b3v h TYR 125 CO 0.74 0.08 -0.66 0.00 -1.64 0.00 0.00 178.16 176.67 1b3v s ALA 126 N -4.65 0.06 -0.05 1.82 0.00 -1.15 -1.36 121.76 116.42 1b3v s ALA 126 Ca -0.14 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1b3v s ALA 126 Cb 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1b3v s ALA 126 CO 0.56 -0.18 -0.23 -1.58 0.00 0.00 0.00 175.76 174.33 1b3v s TRP 127 N -1.54 2.27 -0.80 0.00 0.52 -0.39 0.70 118.94 119.70 1b3v s TRP 127 Ca -0.15 -0.64 -0.19 0.00 0.02 0.00 0.00 56.10 55.14 1b3v s TRP 127 Cb -0.09 -1.49 0.12 0.00 -1.15 0.00 0.00 33.47 30.87 1b3v s TRP 127 CO -0.01 -0.18 0.97 -0.51 0.02 0.00 0.00 176.95 177.24 1b3v s ASP 128 N -0.18 6.47 0.05 2.95 1.01 -0.37 -0.83 116.67 125.76 1b3v s ASP 128 Ca -0.02 -1.80 -0.22 0.00 0.71 0.00 0.00 52.55 51.22 1b3v s ASP 128 Cb -0.13 -2.36 -0.14 0.00 1.01 0.00 0.00 42.92 41.30 1b3v s ASP 128 CO 0.03 -1.09 1.47 0.58 0.21 0.00 0.00 175.17 176.36 1b3v h VAL 129 N 5.76 1.26 -4.27 -1.27 2.07 -1.47 -1.78 116.25 116.55 1b3v h VAL 129 Ca -0.02 -0.83 -0.67 0.00 0.82 0.00 0.00 66.70 66.00 1b3v h VAL 129 Cb 1.05 1.59 -0.31 0.00 -1.52 0.00 0.00 31.29 32.10 1b3v h VAL 129 CO 1.08 0.24 -0.88 -0.76 0.02 0.00 0.00 177.57 177.27 1b3v s LEU 130 N -9.51 2.04 -0.05 2.57 1.43 -1.18 -0.32 118.68 113.66 1b3v s LEU 130 Ca -0.14 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1b3v s LEU 130 Cb 0.05 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1b3v s LEU 130 CO 0.71 0.26 -0.12 0.21 0.23 0.00 0.00 176.35 177.64 1b3v s ASN 131 N -0.35 1.65 -1.23 2.29 2.47 -0.22 -1.04 114.94 118.51 1b3v s ASN 131 Ca 0.03 -0.27 -0.16 0.00 0.42 0.00 0.00 52.86 52.88 1b3v s ASN 131 Cb -0.11 -0.63 -0.00 0.00 -1.45 0.00 0.00 41.25 39.05 1b3v s ASN 131 CO 0.01 0.06 0.67 -0.62 -3.72 0.00 0.00 177.10 173.50 1b3v n GLU 132 N 3.57 -1.77 0.00 0.43 1.02 -0.13 -4.51 120.64 119.25 1b3v n GLU 132 Ca -0.21 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1b3v n GLU 132 Cb 0.52 -4.09 0.37 0.00 -0.02 0.00 0.00 31.44 28.23 1b3v n GLU 132 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1b3v n ILE 133 N -4.34 0.00 -4.16 -3.67 -5.35 -1.26 -4.85 119.36 95.73 1b3v n ILE 133 Ca -0.16 -0.27 -0.31 0.00 -0.27 0.00 0.00 62.75 61.75 1b3v n ILE 133 Cb 0.62 0.71 -0.08 0.00 -1.74 0.00 0.00 39.64 39.15 1b3v n ILE 133 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b3v s PHE 134 N -2.16 3.04 0.56 4.28 0.08 -1.26 0.08 117.98 122.60 1b3v s PHE 134 Ca 0.31 0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.33 1b3v s PHE 134 Cb 0.20 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1b3v s PHE 134 CO 0.39 0.48 0.86 -0.80 -0.10 0.00 0.00 175.22 176.06 1b3v s ASN 135 N -2.11 5.79 0.61 1.36 0.01 0.84 -4.69 114.94 116.75 1b3v s ASN 135 Ca 0.24 0.77 0.32 0.00 -0.71 0.00 0.00 52.86 53.49 1b3v s ASN 135 Cb -0.12 -1.86 1.87 0.00 0.41 0.00 0.00 41.25 41.56 1b3v s ASN 135 CO 0.17 -0.92 2.21 -0.33 -1.51 0.00 0.00 177.10 176.71 1b3v h GLU 136 N -0.05 0.00 -0.08 -0.60 4.39 -1.98 -1.14 114.58 115.12 1b3v h GLU 136 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1b3v h GLU 136 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1b3v h GLU 136 CO 0.61 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.06 1b3v n ASP 137 N -3.63 1.00 0.00 1.42 5.68 -1.26 -2.83 116.55 116.93 1b3v n ASP 137 Ca -0.01 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1b3v n ASP 137 Cb 0.18 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1b3v n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b3v n GLY 138 N 1.03 0.79 3.92 6.12 0.00 -0.43 -4.68 105.19 111.94 1b3v n GLY 138 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1b3v n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3v s SER 139 N -2.90 6.05 0.17 1.61 1.04 -1.26 -4.60 113.70 113.81 1b3v s SER 139 Ca 0.00 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 1b3v s SER 139 Cb 0.00 -2.01 -0.08 0.00 0.10 0.00 0.00 66.02 64.03 1b3v s SER 139 CO 0.00 -0.69 1.23 -0.76 0.98 0.00 0.00 173.24 173.99 1b3v s LEU 140 N -4.75 4.43 0.14 2.42 1.43 -1.26 -0.11 118.68 120.98 1b3v s LEU 140 Ca 0.48 2.24 -0.31 0.00 -1.03 0.00 0.00 54.13 55.52 1b3v s LEU 140 Cb -0.10 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1b3v s LEU 140 CO 0.43 -0.42 1.36 -0.60 0.23 0.00 0.00 176.35 177.36 1b3v s ARG 141 N -0.02 4.34 -1.33 1.70 3.52 0.11 -4.71 118.95 122.55 1b3v s ARG 141 Ca 0.55 2.07 -0.11 0.00 -0.13 0.00 0.00 55.73 58.10 1b3v s ARG 141 Cb -0.33 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1b3v s ARG 141 CO 0.36 -0.38 2.49 0.09 -0.81 0.00 0.00 175.30 177.05 1b3v n ASN 142 N 3.51 6.11 -4.24 -2.12 3.02 -1.26 -4.62 115.26 115.65 1b3v n ASN 142 Ca 0.10 -2.59 -0.29 0.00 -0.03 0.00 0.00 54.58 51.77 1b3v n ASN 142 Cb 0.42 -1.43 0.17 0.00 -0.61 0.00 0.00 39.78 38.34 1b3v n ASN 142 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b3v s SER 143 N 2.99 3.32 0.28 6.41 1.04 -1.26 -4.75 113.70 121.72 1b3v s SER 143 Ca 0.56 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 57.27 1b3v s SER 143 Cb 0.15 -0.40 0.38 0.00 0.10 0.00 0.00 66.02 66.24 1b3v s SER 143 CO -0.04 -2.61 1.86 1.62 0.98 0.00 0.00 173.24 175.05 1b3v h VAL 144 N -1.53 1.23 -0.47 5.02 3.04 -1.92 0.16 116.25 121.77 1b3v h VAL 144 Ca -0.44 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 1b3v h VAL 144 Cb 1.25 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1b3v h VAL 144 CO 0.41 0.28 0.26 -0.26 -1.01 0.00 0.00 177.57 177.25 1b3v h PHE 145 N 0.95 0.63 -0.29 3.17 0.04 -1.94 0.11 116.94 119.62 1b3v h PHE 145 Ca 0.23 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 1b3v h PHE 145 Cb 0.15 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1b3v h PHE 145 CO 0.01 0.47 -0.17 -0.92 -0.60 0.00 0.00 178.31 177.10 1b3v h TYR 146 N 0.61 0.73 -0.48 -0.55 3.20 -1.71 -0.96 116.97 117.81 1b3v h TYR 146 Ca 0.16 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1b3v h TYR 146 Cb 0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1b3v h TYR 146 CO -0.02 0.88 0.04 -0.91 -1.64 0.00 0.00 178.16 176.50 1b3v h ASN 147 N 0.37 0.79 0.08 -2.11 2.35 -0.81 -1.96 115.58 114.30 1b3v h ASN 147 Ca 0.06 -0.29 -0.20 0.00 -0.55 0.00 0.00 56.30 55.33 1b3v h ASN 147 Cb 0.70 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1b3v h ASN 147 CO 0.05 0.88 -0.99 0.58 -1.65 0.00 0.00 177.43 176.30 1b3v h VAL 148 N 0.68 1.27 0.10 2.81 2.07 -1.02 -3.41 116.25 118.75 1b3v h VAL 148 Ca 0.14 -2.39 -0.36 0.00 0.82 0.00 0.00 66.70 64.91 1b3v h VAL 148 Cb 0.46 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1b3v h VAL 148 CO 0.02 0.63 -2.04 -0.38 0.02 0.00 0.00 177.57 175.81 1b3v n ILE 149 N -4.17 1.73 0.00 4.57 5.41 -0.38 -4.44 119.36 122.08 1b3v n ILE 149 Ca -0.21 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 62.93 1b3v n ILE 149 Cb 0.77 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 1b3v n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b3v n GLY 150 N 2.00 -2.64 0.33 7.39 0.00 -0.74 -4.52 105.19 107.02 1b3v n GLY 150 Ca -0.34 -2.10 0.18 0.00 0.00 0.00 0.00 46.02 43.75 1b3v n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b3v h GLU 151 N 0.61 0.00 0.00 1.61 4.81 -1.90 -2.15 114.58 117.57 1b3v h GLU 151 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b3v h GLU 151 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b3v h GLU 151 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.50 1b3v h ASP 152 N 0.00 0.00 0.16 1.04 3.58 -1.96 -1.80 116.42 117.44 1b3v h ASP 152 Ca 0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1b3v h ASP 152 Cb 0.40 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 1b3v h ASP 152 CO -0.00 0.00 -0.11 0.10 -2.88 0.00 0.00 179.24 176.35 1b3v h TYR 153 N 0.00 0.00 -0.11 0.28 -0.00 -1.66 -1.47 116.97 114.01 1b3v h TYR 153 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1b3v h TYR 153 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.76 1b3v h TYR 153 CO 0.00 0.11 0.06 0.28 -0.00 0.00 0.00 178.16 178.60 1b3v h VAL 154 N 0.00 1.12 -0.22 -0.90 2.07 -1.57 0.92 116.25 117.66 1b3v h VAL 154 Ca -0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1b3v h VAL 154 Cb 0.21 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1b3v h VAL 154 CO 0.01 0.10 0.09 -0.09 0.02 0.00 0.00 177.57 177.70 1b3v h ARG 155 N 0.06 0.33 -0.26 1.57 2.43 -1.56 -2.65 114.38 114.30 1b3v h ARG 155 Ca 0.04 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1b3v h ARG 155 Cb 0.12 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1b3v h ARG 155 CO -0.00 0.38 0.03 0.82 -1.51 0.00 0.00 179.97 179.69 1b3v h ILE 156 N 0.20 0.85 0.32 1.20 2.04 -1.10 -0.22 117.51 120.81 1b3v h ILE 156 Ca 0.07 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1b3v h ILE 156 Cb 0.18 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1b3v h ILE 156 CO -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 177.99 1b3v h ALA 157 N 1.20 -0.46 -0.71 1.87 0.00 -0.77 -1.71 119.26 118.69 1b3v h ALA 157 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1b3v h ALA 157 Cb 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1b3v h ALA 157 CO -0.18 -0.76 0.30 0.74 0.00 0.00 0.00 179.25 179.35 1b3v h PHE 158 N -0.46 1.05 -0.02 0.00 0.04 -1.37 -1.43 116.94 114.75 1b3v h PHE 158 Ca -0.04 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1b3v h PHE 158 Cb 0.37 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1b3v h PHE 158 CO -0.07 0.80 -0.36 0.93 -0.60 0.00 0.00 178.31 179.01 1b3v h GLU 159 N 1.00 0.05 -0.06 1.51 5.08 -0.96 -0.49 114.58 120.71 1b3v h GLU 159 Ca 0.24 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1b3v h GLU 159 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1b3v h GLU 159 CO -0.02 0.41 -0.28 1.15 -1.00 0.00 0.00 179.01 179.26 1b3v h THR 160 N 0.04 1.44 -0.27 1.13 2.02 -1.08 -2.94 112.91 113.25 1b3v h THR 160 Ca 0.00 -1.71 0.05 0.00 0.77 0.00 0.00 66.41 65.53 1b3v h THR 160 Cb 0.67 2.36 -0.05 0.00 -1.74 0.00 0.00 68.15 69.39 1b3v h THR 160 CO 0.05 0.49 -0.04 0.00 0.37 0.00 0.00 175.52 176.38 1b3v h ALA 161 N 0.42 0.20 -0.45 6.16 0.00 -0.95 -1.39 119.26 123.25 1b3v h ALA 161 Ca -0.02 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1b3v h ALA 161 Cb 0.93 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1b3v h ALA 161 CO 0.06 -0.45 0.20 -0.09 0.00 0.00 0.00 179.25 178.97 1b3v h ARG 162 N 0.03 0.39 -0.24 0.00 9.65 -1.16 -1.65 114.38 121.40 1b3v h ARG 162 Ca 0.13 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.84 1b3v h ARG 162 Cb 0.19 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1b3v h ARG 162 CO -0.26 0.26 -0.45 0.66 2.80 0.00 0.00 179.97 182.98 1b3v h SER 163 N 0.40 0.67 -0.17 -3.80 4.64 -1.29 -2.77 113.55 111.24 1b3v h SER 163 Ca 0.20 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1b3v h SER 163 Cb 0.15 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1b3v h SER 163 CO -0.17 1.02 -0.12 0.58 -0.87 0.00 0.00 176.83 177.27 1b3v h VAL 164 N 0.50 1.33 -2.45 0.95 2.07 -1.05 -3.40 116.25 114.19 1b3v h VAL 164 Ca 0.03 -1.23 -0.56 0.00 0.82 0.00 0.00 66.70 65.75 1b3v h VAL 164 Cb 0.98 1.78 -0.38 0.00 -1.52 0.00 0.00 31.29 32.15 1b3v h VAL 164 CO 0.09 0.37 -0.87 -0.62 0.02 0.00 0.00 177.57 176.55 1b3v s ASP 165 N -6.10 2.32 0.00 0.57 -1.08 -0.64 -4.86 116.67 106.87 1b3v s ASP 165 Ca -0.14 -2.40 0.11 0.00 -0.52 0.00 0.00 52.55 49.60 1b3v s ASP 165 Cb 0.06 -0.31 0.64 0.00 -1.46 0.00 0.00 42.92 41.84 1b3v s ASP 165 CO 0.75 -0.26 1.11 -0.81 0.52 0.00 0.00 175.17 176.48 1b3v n PRO 166 N 3.69 0.31 0.07 4.34 -0.04 -1.04 -2.53 135.00 139.80 1b3v n PRO 166 Ca 0.17 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1b3v n PRO 166 Cb 0.41 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1b3v n PRO 166 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b3v n ASN 167 N -1.04 0.69 -4.87 3.54 5.15 -1.26 -4.92 115.26 112.55 1b3v n ASN 167 Ca 0.08 0.15 -0.32 0.00 -0.60 0.00 0.00 54.58 53.89 1b3v n ASN 167 Cb 0.04 0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 1b3v n ASN 167 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b3v s ALA 168 N -3.32 3.51 -0.13 5.20 0.00 -1.05 -4.89 121.76 121.08 1b3v s ALA 168 Ca 0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 1b3v s ALA 168 Cb 0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1b3v s ALA 168 CO 0.79 0.47 0.74 0.15 0.00 0.00 0.00 175.76 177.91 1b3v s LYS 169 N -2.80 4.35 -0.23 0.00 -0.14 -0.47 -4.94 119.74 115.51 1b3v s LYS 169 Ca 0.48 0.89 -0.19 0.00 -1.36 0.00 0.00 55.97 55.79 1b3v s LYS 169 Cb -0.11 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 1b3v s LYS 169 CO 0.20 -0.14 0.55 -0.51 -0.76 0.00 0.00 175.35 174.70 1b3v s LEU 170 N 1.50 4.10 0.20 3.17 1.43 -1.26 -1.26 118.68 126.55 1b3v s LEU 170 Ca 0.36 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1b3v s LEU 170 Cb -0.17 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1b3v s LEU 170 CO 0.15 -0.26 -0.17 -0.31 0.23 0.00 0.00 176.35 175.98 1b3v s TYR 171 N 2.07 2.45 -0.15 0.29 1.51 -0.01 -0.75 117.35 122.75 1b3v s TYR 171 Ca 0.24 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1b3v s TYR 171 Cb -0.16 -1.19 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1b3v s TYR 171 CO 0.09 0.53 -0.21 -1.50 -1.11 0.00 0.00 175.55 173.35 1b3v s ILE 172 N -1.78 2.11 0.11 2.71 2.07 -1.03 -1.18 121.20 124.21 1b3v s ILE 172 Ca 0.24 -0.95 0.07 0.00 -1.41 0.00 0.00 60.65 58.60 1b3v s ILE 172 Cb -0.08 -1.86 -0.04 0.00 0.13 0.00 0.00 42.46 40.61 1b3v s ILE 172 CO 0.13 0.54 -0.10 0.21 -1.91 0.00 0.00 174.94 173.81 1b3v s ASN 173 N 0.96 4.41 -0.00 4.50 2.47 -0.21 -0.78 114.94 126.29 1b3v s ASN 173 Ca -0.03 -0.38 -0.29 0.00 0.42 0.00 0.00 52.86 52.58 1b3v s ASN 173 Cb -0.15 -0.85 0.10 0.00 -1.45 0.00 0.00 41.25 38.91 1b3v s ASN 173 CO -0.05 0.18 0.88 -0.62 -3.72 0.00 0.00 177.10 173.76 1b3v s ASP 174 N -2.23 -0.38 0.34 -4.21 -1.08 -0.90 -0.96 116.67 107.26 1b3v s ASP 174 Ca 0.22 0.02 0.08 0.00 -0.52 0.00 0.00 52.55 52.34 1b3v s ASP 174 Cb -0.11 0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.71 1b3v s ASP 174 CO 0.14 -0.63 0.25 -0.72 0.52 0.00 0.00 175.17 174.73 1b3v s TYR 175 N -3.06 2.84 -0.86 -5.34 1.13 -1.26 -1.24 117.35 109.56 1b3v s TYR 175 Ca 0.04 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1b3v s TYR 175 Cb -0.01 -1.75 0.00 0.00 -1.10 0.00 0.00 41.96 39.10 1b3v s TYR 175 CO -0.09 0.23 0.00 0.09 -2.51 0.00 0.00 175.55 173.28 1b3v n ASN 176 N -1.30 -3.84 -2.85 -0.18 3.02 -1.26 -4.91 115.26 103.93 1b3v n ASN 176 Ca -0.02 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.32 1b3v n ASN 176 Cb 0.60 -2.25 0.02 0.00 -0.61 0.00 0.00 39.78 37.54 1b3v n ASN 176 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b3v n LEU 177 N -0.99 7.35 -1.03 3.41 4.77 -1.26 -4.65 117.00 124.59 1b3v n LEU 177 Ca -0.09 -4.71 0.10 0.00 -0.03 0.00 0.00 56.01 51.29 1b3v n LEU 177 Cb 0.32 -1.10 0.20 0.00 -2.33 0.00 0.00 43.42 40.51 1b3v n LEU 177 CO 0.13 1.76 0.67 0.47 -1.33 0.00 0.00 177.39 179.09 1b3v n ASP 178 N -0.27 3.30 -3.64 -1.43 8.00 -1.26 -4.76 116.55 116.48 1b3v n ASP 178 Ca 0.53 -1.94 -0.11 0.00 0.71 0.00 0.00 54.79 53.98 1b3v n ASP 178 Cb 0.29 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1b3v n ASP 178 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1b3v s SER 179 N -1.31 -0.81 0.32 -2.24 1.04 -1.26 -3.69 113.70 105.76 1b3v s SER 179 Ca 0.35 1.41 -0.29 0.00 0.48 0.00 0.00 55.95 57.90 1b3v s SER 179 Cb 0.20 1.36 -0.11 0.00 0.10 0.00 0.00 66.02 67.57 1b3v s SER 179 CO 0.28 -0.24 1.55 0.00 0.98 0.00 0.00 173.24 175.81 1b3v s ALA 180 N 0.97 3.68 0.00 5.32 0.00 -1.26 -2.45 121.76 128.01 1b3v s ALA 180 Ca -0.05 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1b3v s ALA 180 Cb -0.05 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1b3v s ALA 180 CO -0.09 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1b3v n GLY 181 N 1.51 1.95 3.75 0.00 0.00 -1.26 -4.99 105.19 106.15 1b3v n GLY 181 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1b3v n GLY 181 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b3v s TYR 182 N -2.41 3.14 0.33 1.61 5.04 -1.03 -4.87 117.35 119.17 1b3v s TYR 182 Ca 0.00 1.21 0.12 0.00 -2.44 0.00 0.00 57.07 55.95 1b3v s TYR 182 Cb 0.00 -3.69 0.96 0.00 0.35 0.00 0.00 41.96 39.58 1b3v s TYR 182 CO 0.00 -2.11 1.71 0.66 -1.34 0.00 0.00 175.55 174.47 1b3v h SER 183 N 4.79 0.62 0.03 4.32 4.64 -1.91 -0.28 113.55 125.77 1b3v h SER 183 Ca -0.46 0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 1b3v h SER 183 Cb 1.22 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1b3v h SER 183 CO 0.75 0.04 -0.38 0.50 -0.87 0.00 0.00 176.83 176.87 1b3v h LYS 184 N 0.50 0.46 -0.08 4.77 3.64 -1.80 -0.29 116.57 123.77 1b3v h LYS 184 Ca 0.67 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1b3v h LYS 184 Cb 1.37 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1b3v h LYS 184 CO -0.50 0.77 -0.02 0.28 -2.27 0.00 0.00 179.45 177.71 1b3v h VAL 185 N 0.38 1.29 -0.72 2.00 2.07 -1.34 0.01 116.25 119.95 1b3v h VAL 185 Ca 0.04 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1b3v h VAL 185 Cb 0.84 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1b3v h VAL 185 CO 0.07 0.26 0.44 0.78 0.02 0.00 0.00 177.57 179.14 1b3v h ASN 186 N -0.19 0.71 -0.67 0.57 2.35 -1.26 0.11 115.58 117.21 1b3v h ASN 186 Ca 0.02 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1b3v h ASN 186 Cb 0.42 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1b3v h ASN 186 CO 0.01 0.48 0.18 1.23 -1.65 0.00 0.00 177.43 177.68 1b3v h GLY 187 N 0.85 1.15 0.90 2.83 0.00 -0.89 -0.92 103.07 106.99 1b3v h GLY 187 Ca 0.30 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1b3v h GLY 187 CO -0.13 0.65 -0.11 1.98 0.00 0.00 0.00 176.54 178.94 1b3v h MET 188 N 1.02 0.59 -0.23 4.80 1.85 -0.28 -2.65 114.93 120.04 1b3v h MET 188 Ca 0.22 -0.24 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1b3v h MET 188 Cb 0.34 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1b3v h MET 188 CO -0.00 0.81 -0.01 0.28 -0.40 0.00 0.00 176.91 177.58 1b3v h VAL 189 N 0.35 1.26 -0.35 -5.77 2.07 -0.66 -2.02 116.25 111.13 1b3v h VAL 189 Ca 0.07 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1b3v h VAL 189 Cb 0.61 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1b3v h VAL 189 CO 0.04 0.29 -0.20 0.77 0.02 0.00 0.00 177.57 178.49 1b3v h SER 190 N 0.17 0.66 -0.18 0.57 4.64 -1.24 -2.01 113.55 116.16 1b3v h SER 190 Ca 0.06 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 61.07 1b3v h SER 190 Cb 0.43 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1b3v h SER 190 CO 0.01 0.86 -0.27 0.45 -0.87 0.00 0.00 176.83 177.02 1b3v h HIS 191 N 0.59 0.62 -0.69 4.77 3.86 -1.48 -2.72 115.15 120.10 1b3v h HIS 191 Ca 0.09 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1b3v h HIS 191 Cb 0.66 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1b3v h HIS 191 CO 0.03 0.91 0.26 0.28 0.86 0.00 0.00 177.93 180.27 1b3v h VAL 192 N 0.15 1.24 -0.57 2.45 2.07 -1.31 0.96 116.25 121.24 1b3v h VAL 192 Ca 0.02 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1b3v h VAL 192 Cb 0.84 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1b3v h VAL 192 CO 0.06 0.31 0.38 0.11 0.02 0.00 0.00 177.57 178.45 1b3v h LYS 193 N 1.01 0.74 -0.46 1.57 1.57 -1.36 0.20 116.57 119.84 1b3v h LYS 193 Ca 0.23 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1b3v h LYS 193 Cb 0.21 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1b3v h LYS 193 CO -0.02 0.49 0.06 -0.22 -0.57 0.00 0.00 179.45 179.20 1b3v h LYS 194 N 0.76 0.77 -0.49 3.15 3.64 -1.09 -1.24 116.57 122.07 1b3v h LYS 194 Ca 0.21 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1b3v h LYS 194 Cb -0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1b3v h LYS 194 CO -0.05 0.79 -0.20 -1.49 -2.27 0.00 0.00 179.45 176.24 1b3v h TRP 195 N 0.63 1.14 -0.39 1.91 6.55 -0.44 -2.25 115.95 123.10 1b3v h TRP 195 Ca 0.14 -0.27 -0.12 0.00 0.95 0.00 0.00 58.89 59.58 1b3v h TRP 195 Cb 0.40 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1b3v h TRP 195 CO 0.03 1.09 -0.26 -0.07 -1.05 0.00 0.00 178.44 178.19 1b3v h LEU 196 N 0.87 0.83 -1.77 -4.49 3.38 -0.54 -1.57 115.31 112.01 1b3v h LEU 196 Ca 0.12 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1b3v h LEU 196 Cb 0.77 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1b3v h LEU 196 CO 0.06 1.05 -0.16 0.00 0.09 0.00 0.00 178.44 179.48 1b3v h ALA 197 N 1.01 1.44 -0.01 1.53 0.00 -1.04 -1.81 119.26 120.38 1b3v h ALA 197 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b3v h ALA 197 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1b3v h ALA 197 CO 0.07 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.39 1b3v n ALA 198 N -2.37 2.83 -0.10 0.00 0.00 -0.86 -4.94 120.51 115.07 1b3v n ALA 198 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1b3v n ALA 198 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1b3v n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3v n GLY 199 N 1.26 0.74 3.70 0.00 0.00 -0.68 -5.05 105.19 105.15 1b3v n GLY 199 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1b3v n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b3v s ILE 200 N -2.10 3.94 -1.08 -0.61 1.01 -0.62 -4.93 121.20 116.81 1b3v s ILE 200 Ca 0.00 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 61.79 1b3v s ILE 200 Cb 0.00 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1b3v s ILE 200 CO 0.00 0.04 1.98 -0.81 0.00 0.00 0.00 174.94 176.14 1b3v n PRO 201 N 4.80 2.05 -3.54 2.79 -0.04 -1.26 -4.40 135.00 135.40 1b3v n PRO 201 Ca 0.11 -2.32 -0.41 0.00 -0.04 0.00 0.00 63.50 60.84 1b3v n PRO 201 Cb 0.45 -3.23 -0.10 0.00 -0.04 0.00 0.00 33.50 30.58 1b3v n PRO 201 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b3v s ILE 202 N 5.62 4.64 0.12 0.52 1.01 -1.26 -4.72 121.20 127.14 1b3v s ILE 202 Ca 0.57 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1b3v s ILE 202 Cb 0.10 -3.73 -0.21 0.00 0.01 0.00 0.00 42.46 38.64 1b3v s ILE 202 CO 0.07 -0.42 1.29 0.44 0.00 0.00 0.00 174.94 176.31 1b3v h ASP 203 N 8.51 0.04 -5.13 3.58 3.32 -1.30 -3.42 116.42 122.02 1b3v h ASP 203 Ca -0.25 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 1b3v h ASP 203 Cb 1.10 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 1b3v h ASP 203 CO 0.75 1.01 -0.10 -0.83 -1.72 0.00 0.00 179.24 178.36 1b3v s GLY 204 N -4.69 0.01 -0.12 2.75 0.00 -0.77 -2.02 107.32 102.48 1b3v s GLY 204 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1b3v s GLY 204 CO 0.82 -0.44 -0.15 -0.42 0.00 0.00 0.00 173.10 172.91 1b3v s ILE 205 N -3.88 2.86 -0.15 0.90 1.01 -1.08 -2.47 121.20 118.39 1b3v s ILE 205 Ca 0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1b3v s ILE 205 Cb 0.01 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1b3v s ILE 205 CO -0.05 0.53 0.01 -0.83 0.00 0.00 0.00 174.94 174.61 1b3v s GLY 206 N 0.31 1.82 -0.25 6.18 0.00 0.04 -1.50 107.32 113.92 1b3v s GLY 206 Ca -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1b3v s GLY 206 CO 0.06 -0.11 -0.04 -0.45 0.00 0.00 0.00 173.10 172.56 1b3v s SER 207 N 0.15 4.42 0.12 1.64 0.15 0.44 -2.12 113.70 118.49 1b3v s SER 207 Ca 0.01 -0.84 -0.29 0.00 0.70 0.00 0.00 55.95 55.54 1b3v s SER 207 Cb -0.13 -1.69 -0.07 0.00 -1.71 0.00 0.00 66.02 62.41 1b3v s SER 207 CO 0.02 -0.13 1.61 1.56 1.20 0.00 0.00 173.24 177.49 1b3v h GLN 208 N 8.04 -0.52 -3.84 5.44 4.20 -1.46 -0.90 115.11 126.07 1b3v h GLN 208 Ca -0.33 0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1b3v h GLN 208 Cb 1.11 0.12 0.08 0.00 0.30 0.00 0.00 27.48 29.09 1b3v h GLN 208 CO 0.58 -0.35 -0.36 2.41 -0.67 0.00 0.00 178.83 180.43 1b3v n THR 209 N -5.43 -3.55 -3.04 -0.54 -1.04 -1.26 -0.91 114.28 98.51 1b3v n THR 209 Ca -0.06 -0.39 -0.44 0.00 -2.04 0.00 0.00 64.05 61.12 1b3v n THR 209 Cb 0.35 -4.03 -0.04 0.00 -1.82 0.00 0.00 70.33 64.78 1b3v n THR 209 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1b3v s HIS 210 N -3.17 2.91 0.29 -1.42 3.76 -1.26 -2.77 115.29 113.63 1b3v s HIS 210 Ca 0.09 -0.85 0.06 0.00 -0.15 0.00 0.00 55.06 54.21 1b3v s HIS 210 Cb -0.01 -4.09 -0.02 0.00 1.11 0.00 0.00 32.58 29.56 1b3v s HIS 210 CO 0.33 -1.39 0.35 -0.51 -0.85 0.00 0.00 174.74 172.67 1b3v s LEU 211 N 3.06 3.97 0.45 0.89 1.43 0.35 -4.93 118.68 123.90 1b3v s LEU 211 Ca 0.14 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1b3v s LEU 211 Cb -0.22 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1b3v s LEU 211 CO 0.07 -0.23 0.49 -0.83 0.23 0.00 0.00 176.35 176.08 1b3v s GLY 212 N -4.02 2.05 0.25 -3.19 0.00 -1.26 -2.14 107.32 99.02 1b3v s GLY 212 Ca 0.39 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1b3v s GLY 212 CO 0.28 -1.65 1.51 0.00 0.00 0.00 0.00 173.10 173.25 1b3v s ALA 213 N -2.48 3.69 0.00 3.20 0.00 -1.24 -2.59 121.76 122.34 1b3v s ALA 213 Ca 0.51 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1b3v s ALA 213 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1b3v s ALA 213 CO 0.30 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1b3v n GLY 214 N 2.41 1.45 0.12 0.00 0.00 -1.26 -4.92 105.19 103.00 1b3v n GLY 214 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1b3v n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3v n ALA 215 N -0.68 2.67 -0.20 4.61 0.00 -1.07 -4.30 120.51 121.54 1b3v n ALA 215 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1b3v n ALA 215 Cb 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.08 1b3v n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b3v h GLY 216 N 4.96 0.90 2.00 0.00 0.00 -1.82 -3.21 103.07 105.90 1b3v h GLY 216 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1b3v h GLY 216 CO 0.00 0.46 -0.00 1.48 0.00 0.00 0.00 176.54 178.48 1b3v h SER 217 N 0.77 0.00 1.19 0.19 4.64 -1.88 -2.44 113.55 116.02 1b3v h SER 217 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1b3v h SER 217 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1b3v h SER 217 CO -0.02 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.39 1b3v h ALA 218 N 2.00 0.68 -0.94 5.18 0.00 -1.83 -3.37 119.26 120.98 1b3v h ALA 218 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1b3v h ALA 218 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1b3v h ALA 218 CO 0.00 0.00 0.61 0.28 0.00 0.00 0.00 179.25 180.14 1b3v h VAL 219 N 0.00 1.14 -0.39 0.00 2.07 -1.51 -2.78 116.25 114.77 1b3v h VAL 219 Ca 0.00 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1b3v h VAL 219 Cb 0.87 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1b3v h VAL 219 CO 0.00 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1b3v h ALA 220 N 1.47 0.37 -0.07 1.67 0.00 -1.77 -0.28 119.26 120.64 1b3v h ALA 220 Ca 0.38 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.33 1b3v h ALA 220 Cb 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1b3v h ALA 220 CO -0.13 -0.38 -0.27 0.78 0.00 0.00 0.00 179.25 179.25 1b3v h GLY 221 N 0.12 0.14 0.88 0.00 0.00 -1.77 -1.70 103.07 100.74 1b3v h GLY 221 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1b3v h GLY 221 CO -0.31 0.09 0.03 0.00 0.00 0.00 0.00 176.54 176.35 1b3v h ALA 222 N 1.62 0.40 -0.42 3.60 0.00 -0.97 -0.47 119.26 123.01 1b3v h ALA 222 Ca 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1b3v h ALA 222 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1b3v h ALA 222 CO 0.04 0.12 0.03 -0.07 0.00 0.00 0.00 179.25 179.37 1b3v h LEU 223 N 0.32 0.62 -0.41 0.00 3.38 -0.78 -0.81 115.31 117.63 1b3v h LEU 223 Ca 0.09 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1b3v h LEU 223 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1b3v h LEU 223 CO 0.01 0.67 -0.06 0.78 0.09 0.00 0.00 178.44 179.93 1b3v h ASN 224 N 0.63 0.77 -0.31 -0.43 2.35 -1.03 -1.69 115.58 115.87 1b3v h ASN 224 Ca 0.13 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1b3v h ASN 224 Cb 0.35 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1b3v h ASN 224 CO 0.01 0.93 0.11 0.00 -1.65 0.00 0.00 177.43 176.82 1b3v h ALA 225 N 0.87 0.40 -0.39 -0.83 0.00 -0.60 -2.84 119.26 115.87 1b3v h ALA 225 Ca 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b3v h ALA 225 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1b3v h ALA 225 CO 0.03 0.02 0.24 -0.07 0.00 0.00 0.00 179.25 179.47 1b3v h LEU 226 N 0.34 0.45 -2.56 0.00 3.38 -1.07 -1.03 115.31 114.82 1b3v h LEU 226 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1b3v h LEU 226 Cb 0.22 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1b3v h LEU 226 CO -0.00 0.34 -0.02 0.00 0.09 0.00 0.00 178.44 178.85 1b3v h ALA 227 N 1.74 1.28 0.00 1.53 0.00 -1.05 -1.90 119.26 120.85 1b3v h ALA 227 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1b3v h ALA 227 Cb -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b3v h ALA 227 CO -0.03 0.02 -0.02 0.77 0.00 0.00 0.00 179.25 179.99 1b3v h SER 228 N 0.00 0.00 -0.21 0.00 0.02 -1.20 -3.14 113.55 109.01 1b3v h SER 228 Ca -0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1b3v h SER 228 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1b3v h SER 228 CO 0.00 0.02 0.16 0.00 -1.14 0.00 0.00 176.83 175.88 1b3v h ALA 229 N 1.98 2.16 0.00 3.77 0.00 -1.49 -3.46 119.26 122.21 1b3v h ALA 229 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b3v h ALA 229 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1b3v h ALA 229 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.39 1b3v n GLY 230 N -1.56 0.95 3.87 0.00 0.00 -1.19 -3.98 105.19 103.28 1b3v n GLY 230 Ca 0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1b3v n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3v s THR 231 N -2.00 4.61 0.32 2.61 -4.23 -1.26 -4.97 115.64 110.72 1b3v s THR 231 Ca 0.00 0.85 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 1b3v s THR 231 Cb 0.00 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.15 1b3v s THR 231 CO 0.00 -1.11 1.83 0.50 -0.54 0.00 0.00 174.62 175.31 1b3v h LYS 232 N -0.36 0.51 -3.47 3.99 3.64 -1.66 -3.46 116.57 115.76 1b3v h LYS 232 Ca -0.44 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 58.77 1b3v h LYS 232 Cb 1.19 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 1b3v h LYS 232 CO 0.62 0.59 -0.05 -1.83 -2.27 0.00 0.00 179.45 176.51 1b3v s GLU 233 N -4.84 1.43 0.15 1.90 -1.05 -0.86 -4.87 118.70 110.56 1b3v s GLU 233 Ca -0.07 -1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1b3v s GLU 233 Cb 0.15 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.29 1b3v s GLU 233 CO 0.77 -0.60 0.06 0.96 0.95 0.00 0.00 175.26 177.40 1b3v s ILE 234 N -3.93 0.20 0.03 1.83 -4.36 -0.00 -2.62 121.20 112.34 1b3v s ILE 234 Ca 0.14 -1.94 -0.28 0.00 -0.26 0.00 0.00 60.65 58.32 1b3v s ILE 234 Cb -0.01 -2.15 0.08 0.00 1.25 0.00 0.00 42.46 41.62 1b3v s ILE 234 CO 0.02 -0.37 0.68 0.00 0.24 0.00 0.00 174.94 175.51 1b3v s ALA 235 N -3.99 -1.72 -0.44 2.27 0.00 -0.56 -1.99 121.76 115.34 1b3v s ALA 235 Ca 0.27 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 1b3v s ALA 235 Cb 0.07 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.55 1b3v s ALA 235 CO 0.04 -0.54 0.59 0.42 0.00 0.00 0.00 175.76 176.26 1b3v s ILE 236 N -2.32 4.90 -0.08 0.00 1.01 -0.83 -0.42 121.20 123.46 1b3v s ILE 236 Ca -0.05 -0.06 0.14 0.00 0.00 0.00 0.00 60.65 60.68 1b3v s ILE 236 Cb -0.00 -4.17 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 1b3v s ILE 236 CO -0.01 -0.57 0.55 0.35 0.00 0.00 0.00 174.94 175.26 1b3v n THR 237 N 5.72 1.55 -2.99 2.92 -2.24 -0.34 -0.64 114.28 118.26 1b3v n THR 237 Ca -0.03 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.79 1b3v n THR 237 Cb 0.48 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1b3v n THR 237 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3v n GLU 238 N -2.98 1.03 -2.10 -0.78 1.02 -0.09 -4.46 120.64 112.29 1b3v n GLU 238 Ca -0.20 -3.26 -0.42 0.00 -0.02 0.00 0.00 57.16 53.26 1b3v n GLU 238 Cb 1.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 1b3v n GLU 238 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1b3v s LEU 239 N -2.66 4.37 -0.25 -4.62 2.96 -0.18 -4.23 118.68 114.07 1b3v s LEU 239 Ca 0.35 2.43 -0.26 0.00 -0.22 0.00 0.00 54.13 56.43 1b3v s LEU 239 Cb 0.38 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.59 1b3v s LEU 239 CO -0.04 -0.70 0.92 1.51 -1.32 0.00 0.00 176.35 176.72 1b3v s ASP 240 N 1.05 -0.54 -0.09 3.68 1.47 -1.11 -0.72 116.67 120.40 1b3v s ASP 240 Ca 0.66 0.98 -0.01 0.00 1.18 0.00 0.00 52.55 55.35 1b3v s ASP 240 Cb -0.39 0.97 0.03 0.00 -0.34 0.00 0.00 42.92 43.19 1b3v s ASP 240 CO 0.31 -0.23 0.00 -0.63 0.68 0.00 0.00 175.17 175.31 1b3v s ILE 241 N 0.05 0.45 0.14 2.11 1.01 -0.91 -0.50 121.20 123.55 1b3v s ILE 241 Ca 0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 60.65 60.30 1b3v s ILE 241 Cb -0.04 -0.65 -0.15 0.00 0.01 0.00 0.00 42.46 41.63 1b3v s ILE 241 CO -0.02 0.20 1.49 0.00 0.00 0.00 0.00 174.94 176.60 1b3v n ALA 242 N 5.12 0.61 0.00 9.38 0.00 -0.91 -0.32 120.51 134.39 1b3v n ALA 242 Ca -0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1b3v n ALA 242 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1b3v n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3v n GLY 243 N 3.05 3.12 4.31 0.00 0.00 -0.34 -3.70 105.19 111.62 1b3v n GLY 243 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1b3v n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3v n ALA 244 N -0.77 -1.64 -1.75 4.61 0.00 0.57 -4.90 120.51 116.63 1b3v n ALA 244 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1b3v n ALA 244 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 17.57 1b3v n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b3v s SER 245 N -3.86 5.59 0.28 0.00 1.04 -1.26 -4.40 113.70 111.09 1b3v s SER 245 Ca 0.38 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 58.98 1b3v s SER 245 Cb -0.21 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 63.69 1b3v s SER 245 CO 0.98 -1.31 1.89 0.28 0.98 0.00 0.00 173.24 176.06 1b3v h SER 246 N 1.07 0.93 -0.17 7.02 0.02 -1.90 -2.22 113.55 118.30 1b3v h SER 246 Ca -0.50 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1b3v h SER 246 Cb 1.27 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1b3v h SER 246 CO 0.56 0.77 0.07 0.74 -1.14 0.00 0.00 176.83 177.83 1b3v h THR 247 N 1.03 0.98 -0.26 -2.27 2.02 -1.99 -0.71 112.91 111.71 1b3v h THR 247 Ca 0.26 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1b3v h THR 247 Cb 0.07 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1b3v h THR 247 CO -0.04 0.03 0.07 0.44 0.37 0.00 0.00 175.52 176.39 1b3v h ASP 248 N 0.16 0.39 -0.46 4.18 3.32 -1.89 -2.00 116.42 120.13 1b3v h ASP 248 Ca 0.07 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1b3v h ASP 248 Cb 0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1b3v h ASP 248 CO -0.06 0.51 0.06 1.88 -1.72 0.00 0.00 179.24 179.92 1b3v h TYR 249 N 0.26 0.82 -0.43 4.55 0.05 -1.30 -1.74 116.97 119.18 1b3v h TYR 249 Ca 0.08 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1b3v h TYR 249 Cb 0.26 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1b3v h TYR 249 CO 0.01 0.77 -0.17 0.28 -1.05 0.00 0.00 178.16 178.00 1b3v h VAL 250 N 0.63 1.27 -0.81 -2.88 2.07 -1.16 -0.76 116.25 114.62 1b3v h VAL 250 Ca 0.14 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1b3v h VAL 250 Cb 0.40 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1b3v h VAL 250 CO 0.01 0.43 0.37 0.78 0.02 0.00 0.00 177.57 179.18 1b3v h ASN 251 N 0.72 1.07 -0.29 0.57 -0.26 -1.23 -0.42 115.58 115.74 1b3v h ASN 251 Ca 0.11 -0.15 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 1b3v h ASN 251 Cb 0.69 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1b3v h ASN 251 CO 0.05 0.92 -0.23 0.58 -1.06 0.00 0.00 177.43 177.69 1b3v h VAL 252 N 1.15 1.30 -0.47 2.81 2.07 -0.96 -1.71 116.25 120.45 1b3v h VAL 252 Ca 0.27 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1b3v h VAL 252 Cb 0.15 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1b3v h VAL 252 CO -0.03 0.44 0.29 0.58 0.02 0.00 0.00 177.57 178.87 1b3v h VAL 253 N 0.42 1.14 -0.29 2.57 2.07 -0.89 -2.52 116.25 118.76 1b3v h VAL 253 Ca 0.05 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1b3v h VAL 253 Cb 0.79 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1b3v h VAL 253 CO 0.06 0.14 -0.06 0.78 0.02 0.00 0.00 177.57 178.51 1b3v h ASN 254 N 0.62 0.43 -0.91 0.57 2.35 -1.06 -0.19 115.58 117.39 1b3v h ASN 254 Ca 0.17 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1b3v h ASN 254 Cb -0.02 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1b3v h ASN 254 CO -0.03 0.54 0.60 0.00 -1.65 0.00 0.00 177.43 176.89 1b3v h ALA 255 N 1.51 1.19 0.05 -0.83 0.00 -0.88 -0.53 119.26 119.77 1b3v h ALA 255 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1b3v h ALA 255 Cb 0.38 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b3v h ALA 255 CO 0.02 0.48 -0.59 0.00 0.00 0.00 0.00 179.25 179.16 1b3v h LEU 257 N -0.29 0.78 -1.22 0.00 5.85 -0.83 -2.06 115.31 117.54 1b3v h LEU 257 Ca -0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1b3v h LEU 257 Cb 1.36 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1b3v h LEU 257 CO 0.11 0.38 0.00 0.59 -0.34 0.00 0.00 178.44 179.18 1b3v n ASN 258 N -4.72 1.82 -4.15 1.25 3.02 -0.23 -4.74 115.26 107.51 1b3v n ASN 258 Ca 0.19 -1.80 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 1b3v n ASN 258 Cb 0.40 -0.15 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1b3v n ASN 258 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1b3v s GLN 259 N -1.70 3.06 0.54 3.52 2.00 -0.77 -5.02 119.66 121.29 1b3v s GLN 259 Ca 0.30 -0.79 0.27 0.00 -2.00 0.00 0.00 55.36 53.14 1b3v s GLN 259 Cb 0.16 -2.65 1.56 0.00 0.80 0.00 0.00 33.01 32.89 1b3v s GLN 259 CO 0.24 -0.21 2.15 0.00 -0.50 0.00 0.00 175.29 176.97 1b3v h ALA 260 N 7.97 1.45 0.00 1.58 0.00 -1.85 -2.73 119.26 125.68 1b3v h ALA 260 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1b3v h ALA 260 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1b3v h ALA 260 CO 0.63 0.09 -0.16 0.87 0.00 0.00 0.00 179.25 180.68 1b3v h LYS 261 N 0.00 0.00 -6.40 0.00 1.57 -1.91 -3.43 116.57 106.40 1b3v h LYS 261 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1b3v h LYS 261 Cb 0.18 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1b3v h LYS 261 CO 0.01 0.00 1.12 0.00 -0.57 0.00 0.00 179.45 180.01 1b3v h VAL 263 N 6.44 0.42 -2.01 0.00 -1.51 -1.69 -3.46 116.25 114.45 1b3v h VAL 263 Ca -0.27 -1.68 0.26 0.00 -1.23 0.00 0.00 66.70 63.78 1b3v h VAL 263 Cb 1.10 2.04 -0.08 0.00 -2.13 0.00 0.00 31.29 32.21 1b3v h VAL 263 CO 1.16 0.24 0.70 -0.83 -1.23 0.00 0.00 177.57 177.60 1b3v s GLY 264 N -4.49 -0.21 -0.05 5.19 0.00 -1.26 -1.16 107.32 105.33 1b3v s GLY 264 Ca 0.02 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.99 1b3v s GLY 264 CO 0.76 1.38 -0.10 -0.42 0.00 0.00 0.00 173.10 174.71 1b3v s ILE 265 N -2.54 0.97 -0.19 0.90 1.01 -1.09 -1.97 121.20 118.28 1b3v s ILE 265 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1b3v s ILE 265 Cb 0.01 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1b3v s ILE 265 CO 0.00 0.31 -0.16 -0.89 0.00 0.00 0.00 174.94 174.20 1b3v s THR 266 N 0.53 2.35 -0.12 2.92 2.01 0.18 0.27 115.64 123.78 1b3v s THR 266 Ca -0.10 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1b3v s THR 266 Cb -0.13 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1b3v s THR 266 CO 0.02 0.51 0.82 -0.69 -0.69 0.00 0.00 174.62 174.59 1b3v s VAL 267 N 1.33 4.92 -1.00 3.82 1.01 0.79 -1.01 120.40 130.26 1b3v s VAL 267 Ca 0.05 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1b3v s VAL 267 Cb -0.13 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1b3v s VAL 267 CO -0.11 0.10 2.19 1.87 0.00 0.00 0.00 175.10 179.15 1b3v n TRP 268 N 4.69 1.63 0.00 5.22 -0.00 0.10 -3.49 117.44 125.59 1b3v n TRP 268 Ca 0.03 -2.11 0.00 0.00 -0.00 0.00 0.00 57.50 55.43 1b3v n TRP 268 Cb 0.50 -1.80 0.00 0.00 -0.00 0.00 0.00 31.31 30.01 1b3v n TRP 268 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1b3v n GLY 269 N 3.86 3.93 0.07 5.87 0.00 -1.26 -4.79 105.19 112.87 1b3v n GLY 269 Ca 0.49 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 1b3v n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b3v n VAL 270 N -1.53 1.26 -4.63 1.61 0.31 -1.26 -4.74 118.33 109.35 1b3v n VAL 270 Ca 0.00 0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 64.24 1b3v n VAL 270 Cb 0.00 -2.25 -0.12 0.00 -0.91 0.00 0.00 33.84 30.56 1b3v n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b3v s ALA 271 N -2.86 2.64 0.27 3.52 0.00 -1.26 -2.58 121.76 121.49 1b3v s ALA 271 Ca -0.20 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 1b3v s ALA 271 Cb 0.03 -0.77 0.53 0.00 0.00 0.00 0.00 23.12 22.90 1b3v s ALA 271 CO 0.29 0.58 1.59 -0.44 0.00 0.00 0.00 175.76 177.78 1b3v h ASP 272 N 4.51 -0.63 -0.04 0.00 3.32 -1.51 -1.57 116.42 120.50 1b3v h ASP 272 Ca -0.48 0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1b3v h ASP 272 Cb 1.16 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1b3v h ASP 272 CO 0.48 -0.29 0.06 1.55 -1.72 0.00 0.00 179.24 179.31 1b3v h PRO 273 N 0.02 0.00 -0.51 3.56 0.13 -1.88 -0.86 132.00 132.46 1b3v h PRO 273 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 1b3v h PRO 273 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1b3v h PRO 273 CO -0.88 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 176.64 1b3v n ASP 274 N -3.68 3.24 -4.81 1.44 8.00 -0.59 -4.92 116.55 115.22 1b3v n ASP 274 Ca -0.02 -1.97 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 1b3v n ASP 274 Cb 0.14 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1b3v n ASP 274 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b3v s SER 275 N -1.21 6.78 0.33 -2.24 0.15 -0.33 -4.94 113.70 112.24 1b3v s SER 275 Ca 0.40 1.77 0.26 0.00 0.70 0.00 0.00 55.95 59.09 1b3v s SER 275 Cb 0.22 -2.55 0.89 0.00 -1.71 0.00 0.00 66.02 62.87 1b3v s SER 275 CO 0.30 -0.48 1.77 4.11 1.20 0.00 0.00 173.24 180.14 1b3v h TRP 276 N 1.86 0.00 -1.23 3.44 5.08 -1.88 -2.87 115.95 120.35 1b3v h TRP 276 Ca -0.49 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 58.92 1b3v h TRP 276 Cb 1.19 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.93 1b3v h TRP 276 CO 0.60 0.00 -0.78 0.54 -1.28 0.00 0.00 178.44 177.52 1b3v n ARG 277 N -2.57 3.37 -0.22 0.12 1.74 -1.26 -4.93 116.66 112.92 1b3v n ARG 277 Ca 0.03 -4.33 0.17 0.00 -0.77 0.00 0.00 57.85 52.95 1b3v n ARG 277 Cb 0.36 -2.21 0.49 0.00 -1.02 0.00 0.00 32.46 30.08 1b3v n ARG 277 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b3v h SER 278 N 2.47 0.43 0.43 0.55 4.64 -1.72 -2.28 113.55 118.07 1b3v h SER 278 Ca 0.30 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1b3v h SER 278 Cb 1.14 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1b3v h SER 278 CO 0.79 0.20 0.00 0.77 -0.87 0.00 0.00 176.83 177.72 1b3v h SER 279 N 0.45 0.00 -0.01 4.97 4.64 -1.90 -2.33 113.55 119.37 1b3v h SER 279 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1b3v h SER 279 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1b3v h SER 279 CO -0.16 0.00 -0.23 -1.54 -0.87 0.00 0.00 176.83 174.03 1b3v n SER 280 N -2.69 2.36 -3.77 4.97 3.41 -0.86 -5.00 113.62 112.05 1b3v n SER 280 Ca -0.01 -1.69 -0.35 0.00 -0.26 0.00 0.00 58.87 56.56 1b3v n SER 280 Cb 0.16 0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1b3v n SER 280 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1b3v n SER 281 N 0.55 -5.04 -0.86 4.04 7.64 -0.88 -1.20 113.62 117.87 1b3v n SER 281 Ca 0.12 -1.08 0.07 0.00 1.01 0.00 0.00 58.87 58.99 1b3v n SER 281 Cb 0.51 -2.98 0.20 0.00 -1.01 0.00 0.00 64.21 60.93 1b3v n SER 281 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1b3v n PRO 282 N -4.39 2.10 -3.81 1.43 -0.04 -1.26 -3.42 135.00 125.62 1b3v n PRO 282 Ca -0.10 -1.66 -0.24 0.00 -0.04 0.00 0.00 63.50 61.46 1b3v n PRO 282 Cb 0.58 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1b3v n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b3v s LEU 283 N -1.02 2.95 0.31 1.53 1.43 -1.26 -2.14 118.68 120.47 1b3v s LEU 283 Ca 0.31 -1.08 0.24 0.00 -1.03 0.00 0.00 54.13 52.57 1b3v s LEU 283 Cb 0.16 -1.46 0.49 0.00 0.03 0.00 0.00 46.19 45.42 1b3v s LEU 283 CO 0.21 -0.92 1.61 -0.07 0.23 0.00 0.00 176.35 177.40 1b3v h LEU 284 N 0.89 0.00 -8.75 1.79 3.38 -1.86 -3.46 115.31 107.30 1b3v h LEU 284 Ca -0.39 -0.02 -0.66 0.00 0.09 0.00 0.00 57.88 56.91 1b3v h LEU 284 Cb 1.29 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.79 1b3v h LEU 284 CO 0.58 0.01 -0.87 -0.36 0.09 0.00 0.00 178.44 177.90 1b3v s PHE 285 N -3.18 2.18 0.14 1.13 0.40 -1.07 -0.80 117.98 116.79 1b3v s PHE 285 Ca 0.08 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1b3v s PHE 285 Cb 0.09 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.39 1b3v s PHE 285 CO 0.66 0.19 0.20 -0.40 0.70 0.00 0.00 175.22 176.56 1b3v n ASP 286 N 1.47 0.25 0.08 1.36 5.68 -0.51 -1.63 116.55 123.25 1b3v n ASP 286 Ca -0.17 -1.21 0.05 0.00 -0.50 0.00 0.00 54.79 52.95 1b3v n ASP 286 Cb 0.53 -0.13 0.27 0.00 -1.14 0.00 0.00 41.12 40.65 1b3v n ASP 286 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b3v n GLY 287 N 3.51 -0.64 0.83 6.12 0.00 -1.26 -0.14 105.19 113.61 1b3v n GLY 287 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1b3v n GLY 287 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b3v n ASN 288 N -1.84 3.24 -2.63 1.61 3.02 -1.26 -4.96 115.26 112.45 1b3v n ASN 288 Ca -0.01 -2.06 -0.21 0.00 -0.03 0.00 0.00 54.58 52.28 1b3v n ASN 288 Cb 0.07 -0.31 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1b3v n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1b3v n TYR 289 N 0.73 -1.50 -4.31 3.10 4.02 0.80 -5.01 117.16 114.99 1b3v n TYR 289 Ca 0.15 0.30 -0.31 0.00 -0.01 0.00 0.00 57.90 58.03 1b3v n TYR 289 Cb 0.50 -4.15 -0.10 0.00 -0.02 0.00 0.00 39.34 35.58 1b3v n TYR 289 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1b3v s ASN 290 N -2.47 4.65 0.21 7.72 0.01 -1.26 -4.85 114.94 118.95 1b3v s ASN 290 Ca 0.17 -0.23 -0.32 0.00 -0.71 0.00 0.00 52.86 51.77 1b3v s ASN 290 Cb -0.08 -1.03 -0.13 0.00 0.41 0.00 0.00 41.25 40.42 1b3v s ASN 290 CO 0.21 0.22 1.62 -2.65 -1.51 0.00 0.00 177.10 175.00 1b3v n PRO 291 N 1.06 2.47 -1.25 -0.60 -0.02 -1.26 -1.43 135.00 133.97 1b3v n PRO 291 Ca -0.14 0.89 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1b3v n PRO 291 Cb 0.52 -2.68 0.07 0.00 -0.02 0.00 0.00 33.50 31.40 1b3v n PRO 291 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b3v n LYS 292 N 3.30 -0.11 -0.21 -0.52 5.02 0.02 -4.85 118.16 120.82 1b3v n LYS 292 Ca 0.15 -1.14 -0.09 0.00 -2.02 0.00 0.00 58.31 55.21 1b3v n LYS 292 Cb 0.33 -0.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.90 1b3v n LYS 292 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b3v h ALA 293 N -1.13 0.79 -0.98 7.82 0.00 -1.90 -3.03 119.26 120.82 1b3v h ALA 293 Ca -0.18 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.53 1b3v h ALA 293 Cb 0.57 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1b3v h ALA 293 CO 0.16 0.58 0.63 0.00 0.00 0.00 0.00 179.25 180.61 1b3v h ALA 294 N 0.99 1.40 -0.49 0.00 0.00 -1.89 0.76 119.26 120.03 1b3v h ALA 294 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b3v h ALA 294 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1b3v h ALA 294 CO 0.02 0.36 0.29 -0.92 0.00 0.00 0.00 179.25 179.00 1b3v h TYR 295 N 1.10 0.65 -0.30 0.00 5.03 -1.73 0.21 116.97 121.94 1b3v h TYR 295 Ca 0.44 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.60 1b3v h TYR 295 Cb 0.26 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1b3v h TYR 295 CO -0.01 0.46 -0.42 -0.91 -1.32 0.00 0.00 178.16 175.96 1b3v h ASN 296 N 0.66 0.79 -0.39 -2.11 2.35 -1.40 -1.79 115.58 113.68 1b3v h ASN 296 Ca 0.18 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1b3v h ASN 296 Cb 0.00 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1b3v h ASN 296 CO -0.03 1.10 0.19 0.00 -1.65 0.00 0.00 177.43 177.04 1b3v h ALA 297 N 0.93 0.50 -0.67 -0.83 0.00 -0.42 0.09 119.26 118.86 1b3v h ALA 297 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b3v h ALA 297 Cb 0.97 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1b3v h ALA 297 CO 0.09 0.06 0.43 0.82 0.00 0.00 0.00 179.25 180.65 1b3v h ILE 298 N 0.49 1.18 -0.46 0.00 2.04 -0.47 -2.33 117.51 117.96 1b3v h ILE 298 Ca 0.13 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 1b3v h ILE 298 Cb 0.11 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1b3v h ILE 298 CO -0.02 0.18 -0.25 0.00 0.00 0.00 0.00 178.15 178.06 1b3v h ALA 299 N 1.57 0.64 0.00 1.87 0.00 -0.40 -3.10 119.26 119.84 1b3v h ALA 299 Ca 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1b3v h ALA 299 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1b3v h ALA 299 CO -0.05 0.66 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1b3v n ASN 300 N -4.11 0.00 0.00 0.00 5.03 -0.08 -3.02 115.26 113.08 1b3v n ASN 300 Ca -0.01 0.43 0.12 0.00 0.87 0.00 0.00 54.58 55.99 1b3v n ASN 300 Cb 0.48 -0.48 0.17 0.00 -1.02 0.00 0.00 39.78 38.93 1b3v n ASN 300 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b3v n ALA 301 N -1.48 3.75 0.67 5.41 0.00 -0.92 -5.09 120.51 122.85 1b3v n ALA 301 Ca 0.07 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1b3v n ALA 301 Cb 0.30 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.77 1b3v n ALA 301 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78