#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3br1 h LEU 3 N 0.00 0.00 0.08 1.20 5.85 -1.97 0.80 115.31 121.28 3br1 h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3br1 h LEU 3 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3br1 h LEU 3 CO 0.00 0.00 -0.04 0.50 -0.34 0.00 0.00 178.44 178.56 3br1 h LYS 4 N 0.00 -0.10 -0.63 1.25 3.64 -1.98 -2.37 116.57 116.37 3br1 h LYS 4 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3br1 h LYS 4 Cb 0.70 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3br1 h LYS 4 CO 0.00 0.34 0.33 -0.44 -2.27 0.00 0.00 179.45 177.41 3br1 h ASP 5 N -0.59 0.80 -0.59 4.20 3.32 -1.90 -0.75 116.42 120.91 3br1 h ASP 5 Ca -0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3br1 h ASP 5 Cb 0.49 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3br1 h ASP 5 CO 0.02 0.68 0.14 0.50 -1.72 0.00 0.00 179.24 178.86 3br1 h LYS 6 N 0.86 0.95 -0.08 3.56 3.64 0.52 0.61 116.57 126.63 3br1 h LYS 6 Ca 0.22 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3br1 h LYS 6 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3br1 h LYS 6 CO -0.03 0.87 -0.02 0.82 -2.27 0.00 0.00 179.45 178.82 3br1 h ILE 7 N 0.86 0.93 0.09 2.00 2.04 -1.22 0.39 117.51 122.61 3br1 h ILE 7 Ca 0.19 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.05 3br1 h ILE 7 Cb 0.35 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3br1 h ILE 7 CO 0.00 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 177.96 3br1 h LEU 8 N 0.01 -0.32 -0.44 1.44 3.38 -0.67 0.12 115.31 118.83 3br1 h LEU 8 Ca 0.04 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3br1 h LEU 8 Cb 0.05 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3br1 h LEU 8 CO -0.08 -0.18 0.28 1.23 0.09 0.00 0.00 178.44 179.78 3br1 h GLY 9 N -0.25 0.62 0.98 0.83 0.00 0.37 0.30 103.07 105.92 3br1 h GLY 9 Ca 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3br1 h GLY 9 CO -0.05 0.20 -0.04 -2.08 0.00 0.00 0.00 176.54 174.57 3br1 h VAL 10 N 0.57 1.27 -0.18 4.60 2.07 -0.88 -2.44 116.25 121.26 3br1 h VAL 10 Ca 0.17 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.60 3br1 h VAL 10 Cb -0.03 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3br1 h VAL 10 CO -0.05 0.38 0.07 0.00 0.02 0.00 0.00 177.57 177.98 3br1 h ALA 11 N 0.89 0.21 -0.13 1.67 0.00 -0.32 -0.21 119.26 121.37 3br1 h ALA 11 Ca 0.12 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3br1 h ALA 11 Cb 0.55 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3br1 h ALA 11 CO 0.03 -0.36 -0.34 -0.22 0.00 0.00 0.00 179.25 178.36 3br1 h LYS 12 N 0.16 -0.40 -0.60 0.00 3.64 -0.29 0.26 116.57 119.34 3br1 h LYS 12 Ca 0.08 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3br1 h LYS 12 Cb 0.04 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3br1 h LYS 12 CO -0.07 -0.27 0.37 0.93 -2.27 0.00 0.00 179.45 178.14 3br1 h GLU 13 N -0.42 0.70 -0.18 1.90 4.39 -1.22 0.19 114.58 119.94 3br1 h GLU 13 Ca 0.09 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3br1 h GLU 13 Cb 0.56 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3br1 h GLU 13 CO -0.36 0.46 0.05 -0.07 -1.16 0.00 0.00 179.01 177.93 3br1 h LEU 14 N 0.72 0.04 0.11 1.33 3.38 -0.28 0.38 115.31 120.99 3br1 h LEU 14 Ca 0.24 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3br1 h LEU 14 Cb 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3br1 h LEU 14 CO -0.10 0.05 -0.19 -0.26 0.09 0.00 0.00 178.44 178.03 3br1 h PHE 15 N 0.13 -0.49 -0.90 1.13 0.05 0.06 0.39 116.94 117.31 3br1 h PHE 15 Ca 0.08 0.01 0.15 0.00 3.82 0.00 0.00 57.97 62.02 3br1 h PHE 15 Cb 0.06 0.20 -0.07 0.00 2.00 0.00 0.00 35.95 38.14 3br1 h PHE 15 CO -0.12 -0.27 0.58 0.82 -0.18 0.00 0.00 178.31 179.13 3br1 h ILE 16 N -0.36 0.83 0.25 -0.55 2.04 -0.28 0.92 117.51 120.36 3br1 h ILE 16 Ca 0.02 -0.24 -0.34 0.00 1.00 0.00 0.00 64.86 65.31 3br1 h ILE 16 Cb 0.38 0.07 0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3br1 h ILE 16 CO -0.10 0.13 -1.50 0.50 0.00 0.00 0.00 178.15 177.18 3br1 h LYS 17 N 0.70 0.53 0.00 2.37 1.63 0.63 -3.41 116.57 119.02 3br1 h LYS 17 Ca 0.45 -0.91 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3br1 h LYS 17 Cb 0.73 0.34 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 3br1 h LYS 17 CO -0.21 1.44 0.00 0.09 -3.45 0.00 0.00 179.45 177.32 3br1 n ASN 18 N -3.71 0.91 0.00 4.20 3.02 0.13 -5.07 115.26 114.74 3br1 n ASN 18 Ca -0.17 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 3br1 n ASN 18 Cb 1.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 3br1 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3br1 n GLY 19 N -0.19 -1.14 0.08 7.41 0.00 0.32 -4.17 105.19 107.49 3br1 n GLY 19 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 3br1 n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3br1 h TYR 20 N 0.00 -0.06 -0.67 1.61 3.20 -1.82 -3.13 116.97 116.10 3br1 h TYR 20 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3br1 h TYR 20 Cb 0.00 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3br1 h TYR 20 CO 0.00 0.58 0.29 -0.91 -1.64 0.00 0.00 178.16 176.49 3br1 h ASN 21 N -0.82 0.90 0.10 -2.11 -0.26 -1.94 -3.13 115.58 108.32 3br1 h ASN 21 Ca -0.01 -0.15 -0.12 0.00 -0.56 0.00 0.00 56.30 55.46 3br1 h ASN 21 Cb 0.67 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3br1 h ASN 21 CO 0.01 0.80 -0.42 0.00 -1.06 0.00 0.00 177.43 176.76 3br1 h ALA 22 N 1.13 0.95 -2.56 -0.83 0.00 -1.72 -3.43 119.26 112.79 3br1 h ALA 22 Ca 0.23 -0.44 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 3br1 h ALA 22 Cb 0.17 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.89 3br1 h ALA 22 CO -0.02 0.63 0.77 0.99 0.00 0.00 0.00 179.25 181.61 3br1 s THR 23 N -4.16 3.11 0.39 0.00 2.01 -1.18 -5.02 115.64 110.79 3br1 s THR 23 Ca -0.06 0.80 0.08 0.00 0.31 0.00 0.00 61.69 62.81 3br1 s THR 23 Cb 0.13 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3br1 s THR 23 CO 0.80 0.06 0.53 0.42 -0.69 0.00 0.00 174.62 175.75 3br1 s THR 24 N 1.10 3.33 0.15 -0.82 -4.23 -1.26 -4.98 115.64 108.93 3br1 s THR 24 Ca 0.66 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 3br1 s THR 24 Cb -0.39 -3.13 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 3br1 s THR 24 CO 0.31 -0.05 1.40 0.74 -0.54 0.00 0.00 174.62 176.48 3br1 h THR 25 N 0.73 1.32 -0.87 3.99 2.02 -1.99 -2.98 112.91 115.13 3br1 h THR 25 Ca -0.42 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 64.79 3br1 h THR 25 Cb 1.27 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.57 3br1 h THR 25 CO 0.48 0.61 0.47 1.23 0.37 0.00 0.00 175.52 178.67 3br1 h GLY 26 N 0.92 1.30 0.61 2.16 0.00 -1.98 0.33 103.07 106.41 3br1 h GLY 26 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3br1 h GLY 26 CO 0.13 0.57 -0.43 0.83 0.00 0.00 0.00 176.54 177.65 3br1 h GLU 27 N 1.21 -0.95 -0.72 4.80 5.08 -1.97 0.20 114.58 122.23 3br1 h GLU 27 Ca 0.30 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.89 3br1 h GLU 27 Cb 0.04 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 3br1 h GLU 27 CO -0.05 -0.63 0.01 0.82 -1.00 0.00 0.00 179.01 178.16 3br1 h ILE 28 N -0.99 0.38 0.42 3.13 2.04 -1.31 0.11 117.51 121.30 3br1 h ILE 28 Ca -0.08 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3br1 h ILE 28 Cb 0.81 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3br1 h ILE 28 CO 0.05 0.02 -0.24 0.58 0.00 0.00 0.00 178.15 178.56 3br1 h VAL 29 N 0.11 0.00 -0.55 1.67 2.07 -0.11 -2.22 116.25 117.22 3br1 h VAL 29 Ca 0.39 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.94 3br1 h VAL 29 Cb 0.67 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3br1 h VAL 29 CO -0.63 0.00 0.33 0.11 0.02 0.00 0.00 177.57 177.40 3br1 h LYS 30 N -0.61 0.63 0.00 1.57 6.56 -0.13 -1.74 116.57 122.84 3br1 h LYS 30 Ca -0.06 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.45 3br1 h LYS 30 Cb 0.48 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3br1 h LYS 30 CO 0.07 0.42 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.58 3br1 h LEU 31 N 0.65 0.00 -2.07 2.94 3.38 -0.86 -2.13 115.31 117.22 3br1 h LEU 31 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3br1 h LEU 31 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3br1 h LEU 31 CO -0.10 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 3br1 n SER 32 N -3.60 3.06 -3.76 -0.43 3.41 -0.83 -4.96 113.62 106.52 3br1 n SER 32 Ca -0.01 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.36 3br1 n SER 32 Cb 0.36 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3br1 n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3br1 n GLU 33 N 1.20 -2.02 0.00 4.33 1.02 -0.80 -4.83 120.64 119.54 3br1 n GLU 33 Ca 0.19 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3br1 n GLU 33 Cb 0.52 -4.28 0.00 0.00 -0.02 0.00 0.00 31.44 27.65 3br1 n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3br1 n SER 34 N -2.77 0.00 -3.73 1.62 2.88 -0.71 -5.05 113.62 105.86 3br1 n SER 34 Ca -0.16 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.24 3br1 n SER 34 Cb 0.62 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.00 3br1 n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3br1 s SER 35 N 1.00 -0.26 0.33 -3.46 1.04 -1.26 -4.75 113.70 106.34 3br1 s SER 35 Ca 0.00 0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.67 3br1 s SER 35 Cb 0.00 0.34 0.76 0.00 0.10 0.00 0.00 66.02 67.23 3br1 s SER 35 CO 0.00 -0.47 1.84 0.07 0.98 0.00 0.00 173.24 175.66 3br1 h LYS 36 N 3.73 0.74 -0.01 4.02 -0.00 -1.94 -1.22 116.57 121.89 3br1 h LYS 36 Ca -0.29 -0.04 0.01 0.00 -0.00 0.00 0.00 60.65 60.33 3br1 h LYS 36 Cb 1.17 -0.17 -0.02 0.00 -0.00 0.00 0.00 32.23 33.22 3br1 h LYS 36 CO 0.40 0.49 -0.06 0.78 -0.00 0.00 0.00 179.45 181.05 3br1 h GLY 37 N 0.76 -0.06 1.18 0.07 0.00 -1.99 -0.07 103.07 102.96 3br1 h GLY 37 Ca 0.49 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.79 3br1 h GLY 37 CO -0.25 -0.07 -0.08 -0.57 0.00 0.00 0.00 176.54 175.56 3br1 h ASN 38 N -0.11 0.95 -0.48 0.19 -1.24 -1.80 -1.14 115.58 111.95 3br1 h ASN 38 Ca 0.03 -0.30 0.03 0.00 0.71 0.00 0.00 56.30 56.77 3br1 h ASN 38 Cb 0.15 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 3br1 h ASN 38 CO -0.08 1.06 0.28 0.25 -1.29 0.00 0.00 177.43 177.65 3br1 h LEU 39 N 0.87 0.44 -1.17 0.34 6.46 -1.10 -1.80 115.31 119.34 3br1 h LEU 39 Ca 0.14 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3br1 h LEU 39 Cb 0.62 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3br1 h LEU 39 CO 0.04 0.31 0.04 0.22 -0.62 0.00 0.00 178.44 178.44 3br1 h TYR 40 N 0.55 0.64 0.00 1.25 3.20 -0.64 -0.43 116.97 121.55 3br1 h TYR 40 Ca 0.20 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 3br1 h TYR 40 Cb 0.04 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3br1 h TYR 40 CO -0.07 0.59 -0.51 -0.92 -1.64 0.00 0.00 178.16 175.60 3br1 h TYR 41 N 0.60 0.00 0.04 -3.82 3.20 -0.73 -0.21 116.97 116.04 3br1 h TYR 41 Ca 0.13 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.66 3br1 h TYR 41 Cb 0.31 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3br1 h TYR 41 CO 0.01 0.51 -2.01 0.72 -1.64 0.00 0.00 178.16 175.75 3br1 n HIS 42 N -3.62 0.78 0.00 -3.82 8.25 -0.72 -4.75 115.22 111.33 3br1 n HIS 42 Ca -0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3br1 n HIS 42 Cb 0.59 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.57 3br1 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3br1 n PHE 43 N -3.15 0.00 0.00 4.41 3.01 -0.19 -5.01 117.46 116.53 3br1 n PHE 43 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 3br1 n PHE 43 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 3br1 n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3br1 n LYS 44 N -0.52 0.00 -4.48 -1.08 4.01 -0.09 -4.26 118.16 111.74 3br1 n LYS 44 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 3br1 n LYS 44 Cb 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.41 3br1 n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3br1 s THR 45 N 0.00 1.44 0.28 -0.18 -4.23 -1.26 -4.61 115.64 107.07 3br1 s THR 45 Ca 0.00 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 3br1 s THR 45 Cb 0.00 -2.75 0.17 0.00 1.34 0.00 0.00 72.50 71.26 3br1 s THR 45 CO 0.00 -0.07 1.83 0.50 -0.54 0.00 0.00 174.62 176.34 3br1 h LYS 46 N 2.09 0.89 -0.06 3.99 3.64 -1.97 -1.58 116.57 123.58 3br1 h LYS 46 Ca -0.41 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3br1 h LYS 46 Cb 1.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3br1 h LYS 46 CO 0.71 0.77 -0.11 0.93 -2.27 0.00 0.00 179.45 179.48 3br1 h GLU 47 N 0.87 -0.15 -0.44 1.90 3.07 -1.95 0.94 114.58 118.81 3br1 h GLU 47 Ca 0.20 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 3br1 h GLU 47 Cb 0.25 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3br1 h GLU 47 CO -0.01 -0.10 0.03 -0.91 -1.40 0.00 0.00 179.01 176.63 3br1 h ASN 48 N -0.16 0.74 -0.21 1.42 2.35 -1.77 -1.38 115.58 116.57 3br1 h ASN 48 Ca 0.06 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 3br1 h ASN 48 Cb 0.24 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3br1 h ASN 48 CO -0.15 0.84 -0.20 0.25 -1.65 0.00 0.00 177.43 176.52 3br1 h LEU 49 N 0.61 -0.65 -1.47 1.61 7.12 -0.88 0.75 115.31 122.41 3br1 h LEU 49 Ca 0.13 0.12 0.06 0.00 0.13 0.00 0.00 57.88 58.32 3br1 h LEU 49 Cb 0.44 0.31 -0.04 0.00 -0.53 0.00 0.00 40.66 40.85 3br1 h LEU 49 CO 0.02 -0.25 0.42 0.15 -0.13 0.00 0.00 178.44 178.65 3br1 h PHE 50 N -0.22 0.66 -0.67 1.25 3.04 -0.73 -1.65 116.94 118.63 3br1 h PHE 50 Ca 0.13 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 3br1 h PHE 50 Cb 0.41 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3br1 h PHE 50 CO -0.35 0.36 0.20 -0.07 -2.02 0.00 0.00 178.31 176.43 3br1 h LEU 51 N 0.66 0.99 -0.53 0.59 3.38 0.23 -0.78 115.31 119.85 3br1 h LEU 51 Ca 0.27 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3br1 h LEU 51 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3br1 h LEU 51 CO -0.08 0.94 -0.14 -0.33 0.09 0.00 0.00 178.44 178.92 3br1 h GLU 52 N 0.98 1.02 -0.56 1.13 3.07 -0.51 0.34 114.58 120.05 3br1 h GLU 52 Ca 0.22 -0.40 0.11 0.00 -0.50 0.00 0.00 59.36 58.79 3br1 h GLU 52 Cb 0.31 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 3br1 h GLU 52 CO -0.00 1.08 0.07 0.82 -1.40 0.00 0.00 179.01 179.58 3br1 h ILE 53 N 0.90 0.62 -0.68 3.13 2.04 -1.09 0.21 117.51 122.65 3br1 h ILE 53 Ca 0.13 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3br1 h ILE 53 Cb 0.71 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3br1 h ILE 53 CO 0.05 0.04 0.26 -0.07 0.00 0.00 0.00 178.15 178.43 3br1 h LEU 54 N 0.20 0.94 -0.95 1.44 4.07 -0.72 -0.98 115.31 119.31 3br1 h LEU 54 Ca 0.29 -0.18 0.06 0.00 0.08 0.00 0.00 57.88 58.13 3br1 h LEU 54 Cb 0.44 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 3br1 h LEU 54 CO -0.42 0.87 0.61 0.78 -1.08 0.00 0.00 178.44 179.20 3br1 h ASN 55 N 0.96 0.97 -0.06 -0.43 -0.26 0.11 0.54 115.58 117.43 3br1 h ASN 55 Ca 0.22 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 3br1 h ASN 55 Cb 0.23 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 3br1 h ASN 55 CO -0.02 0.63 -0.00 0.40 -1.06 0.00 0.00 177.43 177.38 3br1 h ILE 56 N 1.12 1.26 -0.59 2.81 2.04 -0.42 -2.03 117.51 121.70 3br1 h ILE 56 Ca 0.40 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3br1 h ILE 56 Cb 0.13 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3br1 h ILE 56 CO -0.16 0.22 0.39 -0.33 0.00 0.00 0.00 178.15 178.26 3br1 h GLU 57 N -0.20 0.78 -0.25 2.37 4.39 -0.60 0.35 114.58 121.42 3br1 h GLU 57 Ca 0.02 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3br1 h GLU 57 Cb 0.35 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3br1 h GLU 57 CO 0.00 0.52 0.04 1.49 -1.16 0.00 0.00 179.01 179.90 3br1 h GLU 58 N 0.81 0.41 -0.56 2.33 4.57 -0.88 0.21 114.58 121.47 3br1 h GLU 58 Ca 0.22 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3br1 h GLU 58 Cb -0.08 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3br1 h GLU 58 CO -0.05 0.55 0.29 0.77 -1.18 0.00 0.00 179.01 179.39 3br1 h SER 59 N 0.22 0.43 -0.64 1.04 0.02 -0.32 0.23 113.55 114.53 3br1 h SER 59 Ca 0.07 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3br1 h SER 59 Cb 0.34 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3br1 h SER 59 CO 0.01 0.29 0.35 0.11 -1.14 0.00 0.00 176.83 176.44 3br1 h LYS 60 N 0.56 0.90 0.23 3.45 1.57 -0.29 -1.85 116.57 121.14 3br1 h LYS 60 Ca 0.25 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3br1 h LYS 60 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3br1 h LYS 60 CO -0.17 0.68 -0.17 2.35 -0.57 0.00 0.00 179.45 181.58 3br1 h TRP 61 N 0.87 -0.43 -0.88 -1.35 2.91 0.50 -1.74 115.95 115.83 3br1 h TRP 61 Ca 0.23 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.36 3br1 h TRP 61 Cb 0.05 0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.79 3br1 h TRP 61 CO -0.01 -0.26 0.57 1.96 -1.03 0.00 0.00 178.44 179.67 3br1 h GLN 62 N -0.40 0.77 -0.32 2.65 4.20 -0.42 -0.82 115.11 120.78 3br1 h GLN 62 Ca -0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3br1 h GLN 62 Cb 0.35 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3br1 h GLN 62 CO 0.00 0.51 0.15 0.93 -0.67 0.00 0.00 178.83 179.75 3br1 h GLU 63 N 0.79 0.46 -0.42 1.46 4.39 -0.93 -1.14 114.58 119.20 3br1 h GLU 63 Ca 0.42 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.13 3br1 h GLU 63 Cb 0.53 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 3br1 h GLU 63 CO -0.19 0.44 -0.07 1.96 -1.16 0.00 0.00 179.01 179.99 3br1 h GLN 64 N 0.37 0.03 -0.64 2.33 4.20 -0.29 -2.41 115.11 118.71 3br1 h GLN 64 Ca 0.11 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3br1 h GLN 64 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3br1 h GLN 64 CO -0.01 0.02 0.38 2.35 -0.67 0.00 0.00 178.83 180.90 3br1 h TRP 65 N 0.03 0.84 -0.58 2.96 -0.00 -0.95 0.79 115.95 119.05 3br1 h TRP 65 Ca 0.20 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.13 3br1 h TRP 65 Cb 0.30 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.16 3br1 h TRP 65 CO -0.34 0.57 0.38 0.87 -0.00 0.00 0.00 178.44 179.93 3br1 h LYS 66 N 0.86 0.62 0.02 2.65 1.57 -0.86 0.23 116.57 121.68 3br1 h LYS 66 Ca 0.23 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 3br1 h LYS 66 Cb -0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3br1 h LYS 66 CO -0.04 0.41 -0.40 1.57 -0.57 0.00 0.00 179.45 180.42 3br1 h LYS 67 N 0.64 0.05 -0.13 3.15 -0.00 -0.89 -3.38 116.57 116.01 3br1 h LYS 67 Ca 0.24 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.65 60.76 3br1 h LYS 67 Cb 0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 32.39 3br1 h LYS 67 CO -0.07 1.04 -0.15 1.49 -0.00 0.00 0.00 179.45 181.76 3br1 h GLU 68 N -0.89 0.21 0.00 0.07 4.57 0.81 -3.08 114.58 116.27 3br1 h GLU 68 Ca -0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3br1 h GLU 68 Cb 1.17 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3br1 h GLU 68 CO -0.02 0.37 0.00 0.00 -1.18 0.00 0.00 179.01 178.18 3br1 n GLN 69 N -4.26 0.04 0.18 1.92 10.64 0.80 -2.32 117.38 124.37 3br1 n GLN 69 Ca -0.01 0.29 0.06 0.00 -1.83 0.00 0.00 57.00 55.51 3br1 n GLN 69 Cb 0.28 -1.58 0.56 0.00 -0.86 0.00 0.00 30.24 28.63 3br1 n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 3br1 h ILE 70 N 0.00 1.05 0.00 -0.39 5.03 -1.76 -0.19 117.51 121.25 3br1 h ILE 70 Ca 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 3br1 h ILE 70 Cb 0.28 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 3br1 h ILE 70 CO 0.00 0.05 0.00 0.29 -0.68 0.00 0.00 178.15 177.81 3br1 n LYS 71 N -4.49 0.00 -3.96 2.37 5.02 -0.98 -4.37 118.16 111.74 3br1 n LYS 71 Ca -0.01 0.38 -0.33 0.00 -2.02 0.00 0.00 58.31 56.33 3br1 n LYS 71 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3br1 n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3br1 s ALA 72 N -2.98 2.83 -0.01 7.82 0.00 -0.09 -5.02 121.76 124.31 3br1 s ALA 72 Ca 0.03 -2.12 -0.14 0.00 0.00 0.00 0.00 51.96 49.74 3br1 s ALA 72 Cb 0.04 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 3br1 s ALA 72 CO 0.12 -1.46 0.77 -0.22 0.00 0.00 0.00 175.76 174.97 3br1 h LYS 73 N 7.83 -0.49 -7.02 0.00 3.64 -1.80 -3.42 116.57 115.31 3br1 h LYS 73 Ca -0.14 0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.78 3br1 h LYS 73 Cb 1.04 0.11 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3br1 h LYS 73 CO 0.54 -0.33 0.19 0.95 -2.27 0.00 0.00 179.45 178.53 3br1 s THR 74 N -3.39 4.81 0.35 1.00 -4.23 -1.26 -4.90 115.64 108.02 3br1 s THR 74 Ca -0.07 0.51 0.25 0.00 -1.18 0.00 0.00 61.69 61.20 3br1 s THR 74 Cb 0.01 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.29 3br1 s THR 74 CO 0.22 -0.83 2.00 0.78 -0.54 0.00 0.00 174.62 176.25 3br1 h ASN 75 N 0.40 0.00 -0.43 3.99 4.21 -1.88 0.15 115.58 122.02 3br1 h ASN 75 Ca -0.46 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.03 3br1 h ASN 75 Cb 1.20 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.38 3br1 h ASN 75 CO 0.62 0.16 0.21 -0.09 -1.29 0.00 0.00 177.43 177.04 3br1 h ARG 76 N 0.00 0.62 -0.41 0.81 2.43 -1.93 -1.13 114.38 114.77 3br1 h ARG 76 Ca -0.00 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3br1 h ARG 76 Cb 0.45 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3br1 h ARG 76 CO 0.02 0.54 0.03 0.93 -1.51 0.00 0.00 179.97 179.98 3br1 h GLU 77 N 0.55 0.70 -0.97 0.20 5.08 -1.56 -2.23 114.58 116.36 3br1 h GLU 77 Ca 0.15 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3br1 h GLU 77 Cb 0.12 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3br1 h GLU 77 CO -0.02 0.77 0.64 0.87 -1.00 0.00 0.00 179.01 180.27 3br1 h LYS 78 N 0.54 1.22 -0.17 2.33 1.57 -0.63 -0.48 116.57 120.95 3br1 h LYS 78 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3br1 h LYS 78 Cb 0.44 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3br1 h LYS 78 CO 0.02 0.81 0.08 0.35 -0.57 0.00 0.00 179.45 180.14 3br1 h PHE 79 N 1.26 0.25 -0.32 -1.35 3.57 -1.03 0.79 116.94 120.11 3br1 h PHE 79 Ca 0.37 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.92 3br1 h PHE 79 Cb -0.07 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3br1 h PHE 79 CO -0.00 0.27 -0.09 1.88 -2.23 0.00 0.00 178.31 178.14 3br1 h TYR 80 N 0.15 -0.21 0.58 0.41 0.05 -0.90 -2.93 116.97 114.13 3br1 h TYR 80 Ca 0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 3br1 h TYR 80 Cb 0.12 0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.01 3br1 h TYR 80 CO -0.03 -0.16 -0.28 1.25 -1.05 0.00 0.00 178.16 177.90 3br1 h LEU 81 N -0.02 -0.66 -1.00 3.88 5.85 -0.76 -2.68 115.31 119.91 3br1 h LEU 81 Ca 0.16 -0.04 0.28 0.00 0.84 0.00 0.00 57.88 59.12 3br1 h LEU 81 Cb 0.26 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.33 3br1 h LEU 81 CO -0.34 -0.33 0.58 0.22 -0.34 0.00 0.00 178.44 178.23 3br1 h TYR 82 N -1.01 0.97 -0.44 1.25 3.20 -0.87 0.34 116.97 120.41 3br1 h TYR 82 Ca -0.08 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 3br1 h TYR 82 Cb 0.66 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3br1 h TYR 82 CO 0.00 -0.04 -0.24 -0.91 -1.64 0.00 0.00 178.16 175.33 3br1 h ASN 83 N 0.47 0.98 0.83 -2.11 4.21 -1.44 -0.19 115.58 118.33 3br1 h ASN 83 Ca 0.68 -0.41 -0.04 0.00 1.21 0.00 0.00 56.30 57.74 3br1 h ASN 83 Cb 1.42 -0.27 0.01 0.00 -1.12 0.00 0.00 38.32 38.35 3br1 h ASN 83 CO -0.53 1.17 -0.42 -0.33 -1.29 0.00 0.00 177.43 176.03 3br1 h GLU 84 N 0.78 -1.10 -0.59 0.81 5.08 -0.10 -2.01 114.58 117.45 3br1 h GLU 84 Ca 0.10 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3br1 h GLU 84 Cb 0.82 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 3br1 h GLU 84 CO 0.07 -0.73 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.13 3br1 h LEU 85 N -1.14 -0.55 -0.95 1.33 3.38 -0.88 0.56 115.31 117.06 3br1 h LEU 85 Ca -0.11 0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.18 3br1 h LEU 85 Cb 0.89 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 3br1 h LEU 85 CO 0.17 -0.20 0.56 0.28 0.09 0.00 0.00 178.44 179.34 3br1 h SER 86 N 0.00 0.75 0.16 -0.43 0.02 -0.87 0.32 113.55 113.51 3br1 h SER 86 Ca 0.28 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3br1 h SER 86 Cb 0.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3br1 h SER 86 CO -0.61 0.34 -0.08 0.25 -1.14 0.00 0.00 176.83 175.59 3br1 h LEU 87 N 0.80 -0.18 0.51 5.07 6.46 0.00 -3.22 115.31 124.75 3br1 h LEU 87 Ca 0.51 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 3br1 h LEU 87 Cb 0.65 0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.64 3br1 h LEU 87 CO -0.33 0.38 -0.25 0.71 -0.62 0.00 0.00 178.44 178.34 3br1 h THR 88 N -0.97 0.43 -0.03 1.05 1.35 0.30 -2.43 112.91 112.60 3br1 h THR 88 Ca -0.02 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.54 3br1 h THR 88 Cb 0.43 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3br1 h THR 88 CO 0.04 0.05 0.03 0.71 -0.25 0.00 0.00 175.52 176.09 3br1 h THR 89 N -0.89 0.83 -0.01 6.82 1.35 -0.57 0.30 112.91 120.75 3br1 h THR 89 Ca -0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.59 3br1 h THR 89 Cb 0.60 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3br1 h THR 89 CO 0.12 0.00 -0.85 -0.61 -0.25 0.00 0.00 175.52 173.92 3br1 h GLN 90 N 0.00 0.24 -1.00 4.72 4.15 -1.55 -3.17 115.11 118.50 3br1 h GLN 90 Ca 0.02 -0.25 0.21 0.00 0.77 0.00 0.00 58.65 59.40 3br1 h GLN 90 Cb 0.07 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 27.72 3br1 h GLN 90 CO -0.00 0.96 0.61 -0.92 -1.93 0.00 0.00 178.83 177.55 3br1 h TYR 91 N 0.14 0.99 -0.35 3.99 3.20 -0.42 0.02 116.97 124.54 3br1 h TYR 91 Ca -0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3br1 h TYR 91 Cb 1.47 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 3br1 h TYR 91 CO 0.03 0.17 0.02 2.48 -1.64 0.00 0.00 178.16 179.23 3br1 n TYR 92 N -4.77 1.22 -2.70 -3.82 0.18 -1.24 -4.99 117.16 101.05 3br1 n TYR 92 Ca 0.24 -1.04 -0.43 0.00 1.88 0.00 0.00 57.90 58.55 3br1 n TYR 92 Cb 0.65 -0.41 -0.02 0.00 -0.38 0.00 0.00 39.34 39.18 3br1 n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3br1 s TYR 93 N -2.93 3.35 0.08 -3.48 6.04 -0.01 -4.94 117.35 115.46 3br1 s TYR 93 Ca 0.45 1.43 -0.15 0.00 0.04 0.00 0.00 57.07 58.84 3br1 s TYR 93 Cb 0.37 -3.23 -0.15 0.00 -1.04 0.00 0.00 41.96 37.91 3br1 s TYR 93 CO 0.08 -0.44 1.30 -1.35 -1.54 0.00 0.00 175.55 173.60 3br1 h PRO 94 N 7.45 0.66 0.00 4.97 0.11 -1.92 -3.00 132.00 140.26 3br1 h PRO 94 Ca -0.21 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3br1 h PRO 94 Cb 1.07 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3br1 h PRO 94 CO 0.95 1.10 0.00 1.28 -0.21 0.00 0.00 178.00 181.12 3br1 n LEU 95 N -4.15 0.59 0.01 2.35 4.77 -1.26 -3.43 117.00 115.88 3br1 n LEU 95 Ca -0.07 0.71 0.18 0.00 -0.03 0.00 0.00 56.01 56.80 3br1 n LEU 95 Cb 0.61 -0.70 0.66 0.00 -2.33 0.00 0.00 43.42 41.66 3br1 n LEU 95 CO 0.48 -0.74 1.17 -0.61 -1.33 0.00 0.00 177.39 176.36 3br1 h GLN 96 N 0.00 0.05 0.05 3.23 5.75 -1.89 0.99 115.11 123.29 3br1 h GLN 96 Ca 0.00 -0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 3br1 h GLN 96 Cb 0.18 -0.01 0.02 0.00 1.07 0.00 0.00 27.48 28.74 3br1 h GLN 96 CO 0.00 0.03 -0.96 -0.91 -2.65 0.00 0.00 178.83 174.34 3br1 h ASN 97 N 0.05 0.76 1.04 -0.69 2.35 -1.79 -2.25 115.58 115.06 3br1 h ASN 97 Ca 0.23 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 3br1 h ASN 97 Cb 0.86 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3br1 h ASN 97 CO -0.01 1.46 0.00 0.00 -1.65 0.00 0.00 177.43 177.23 3br1 h ALA 98 N 0.31 1.00 0.01 -0.83 0.00 -1.46 -1.20 119.26 117.09 3br1 h ALA 98 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3br1 h ALA 98 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3br1 h ALA 98 CO 0.19 0.00 -0.00 0.82 0.00 0.00 0.00 179.25 180.25 3br1 h ILE 99 N 0.00 1.56 -0.45 0.00 2.04 -0.81 -1.93 117.51 117.91 3br1 h ILE 99 Ca 0.00 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.11 3br1 h ILE 99 Cb 0.52 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 3br1 h ILE 99 CO 0.00 0.45 0.25 0.40 0.00 0.00 0.00 178.15 179.25 3br1 h ILE 100 N -0.78 1.02 0.22 -0.67 2.04 -1.18 0.38 117.51 118.54 3br1 h ILE 100 Ca -0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3br1 h ILE 100 Cb 0.75 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3br1 h ILE 100 CO 0.00 0.09 -0.25 -0.08 0.00 0.00 0.00 178.15 177.92 3br1 h GLU 101 N 0.50 -0.49 -0.64 2.37 4.81 -1.34 -1.47 114.58 118.32 3br1 h GLU 101 Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3br1 h GLU 101 Cb 0.05 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3br1 h GLU 101 CO -0.10 -0.33 0.41 0.35 -0.73 0.00 0.00 179.01 178.61 3br1 h PHE 102 N -0.51 0.81 0.44 0.92 3.04 -0.72 -3.14 116.94 117.77 3br1 h PHE 102 Ca 0.00 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 3br1 h PHE 102 Cb 0.49 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.73 3br1 h PHE 102 CO -0.18 0.53 -0.21 -0.92 -2.02 0.00 0.00 178.31 175.51 3br1 h TYR 103 N 0.86 -0.54 0.00 0.41 3.20 -0.14 -2.60 116.97 118.17 3br1 h TYR 103 Ca 0.23 -0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.81 3br1 h TYR 103 Cb -0.07 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3br1 h TYR 103 CO -0.03 -0.23 1.48 0.25 -1.64 0.00 0.00 178.16 177.99 3br1 n THR 104 N -5.25 2.28 0.03 1.81 -2.24 -0.57 -2.11 114.28 108.24 3br1 n THR 104 Ca -0.11 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 3br1 n THR 104 Cb 0.29 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 3br1 n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3br1 n GLU 105 N 3.48 0.00 -0.37 -0.78 2.13 -1.21 -4.95 120.64 118.94 3br1 n GLU 105 Ca 0.38 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.31 3br1 n GLU 105 Cb 0.33 0.00 0.30 0.00 0.27 0.00 0.00 31.44 32.34 3br1 n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3br1 n TYR 106 N -2.52 0.95 0.16 4.31 4.01 -0.96 -4.43 117.16 118.68 3br1 n TYR 106 Ca 0.00 -0.51 0.04 0.00 -0.16 0.00 0.00 57.90 57.26 3br1 n TYR 106 Cb 0.00 -0.03 0.14 0.00 -0.31 0.00 0.00 39.34 39.13 3br1 n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3br1 h TYR 107 N 3.90 0.00 0.00 -0.72 -0.00 -1.68 -2.59 116.97 115.88 3br1 h TYR 107 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 3br1 h TYR 107 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.72 3br1 h TYR 107 CO 0.48 0.46 -0.25 0.87 -0.00 0.00 0.00 178.16 179.72 3br1 h LYS 108 N 0.00 0.00 -5.81 0.10 1.79 -1.86 -3.43 116.57 107.37 3br1 h LYS 108 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 3br1 h LYS 108 Cb 1.22 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.78 3br1 h LYS 108 CO 0.06 0.25 0.46 0.99 -1.08 0.00 0.00 179.45 180.12 3br1 s THR 109 N -4.02 4.80 0.13 -0.16 2.01 -0.98 -4.97 115.64 112.46 3br1 s THR 109 Ca -0.02 1.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.36 3br1 s THR 109 Cb 0.13 -4.14 -0.18 0.00 0.01 0.00 0.00 72.50 68.32 3br1 s THR 109 CO 0.65 -0.16 1.31 0.78 -0.69 0.00 0.00 174.62 176.51 3br1 h ASN 110 N 7.88 0.53 -0.52 3.53 4.21 -1.82 0.56 115.58 129.94 3br1 h ASN 110 Ca -0.23 -0.42 0.09 0.00 1.21 0.00 0.00 56.30 56.94 3br1 h ASN 110 Cb 1.09 -0.16 -0.07 0.00 -1.12 0.00 0.00 38.32 38.06 3br1 h ASN 110 CO 0.88 1.22 0.14 -1.28 -1.29 0.00 0.00 177.43 177.10 3br1 h SER 111 N 0.24 0.07 0.17 5.81 0.87 -1.93 0.48 113.55 119.25 3br1 h SER 111 Ca -0.08 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3br1 h SER 111 Cb 1.56 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 3br1 h SER 111 CO 0.16 0.06 -0.08 0.40 -0.53 0.00 0.00 176.83 176.84 3br1 h ILE 112 N 0.28 0.95 -0.13 2.23 5.03 -1.84 -3.22 117.51 120.81 3br1 h ILE 112 Ca 0.26 -0.84 0.04 0.00 -0.12 0.00 0.00 64.86 64.20 3br1 h ILE 112 Cb 0.34 1.44 -0.01 0.00 -3.03 0.00 0.00 36.82 35.56 3br1 h ILE 112 CO -0.31 0.19 0.10 -1.13 -0.68 0.00 0.00 178.15 176.31 3br1 h ASN 113 N -0.65 0.00 -0.21 1.72 -0.00 -0.41 0.21 115.58 116.24 3br1 h ASN 113 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 3br1 h ASN 113 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.79 3br1 h ASN 113 CO 0.04 0.00 0.14 -0.33 -0.00 0.00 0.00 177.43 177.27 3br1 h GLU 114 N 0.00 0.27 -0.11 6.67 4.39 -0.14 -1.38 114.58 124.28 3br1 h GLU 114 Ca 0.06 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 3br1 h GLU 114 Cb 0.26 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3br1 h GLU 114 CO -0.00 0.18 -0.38 0.87 -1.16 0.00 0.00 179.01 178.52 3br1 h LYS 115 N 0.28 0.23 0.00 2.33 1.57 -0.69 -1.45 116.57 118.84 3br1 h LYS 115 Ca 0.08 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3br1 h LYS 115 Cb -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3br1 h LYS 115 CO -0.02 0.58 -0.57 0.52 -0.57 0.00 0.00 179.45 179.40 3br1 h MET 116 N 0.20 0.00 0.01 3.15 2.86 -0.85 -2.26 114.93 118.04 3br1 h MET 116 Ca 0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 3br1 h MET 116 Cb 0.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3br1 h MET 116 CO 0.06 0.57 -0.93 -0.91 1.06 0.00 0.00 176.91 176.76 3br1 h ASN 117 N 0.00 0.38 -0.53 1.22 4.21 -0.98 -0.49 115.58 119.40 3br1 h ASN 117 Ca -0.01 -0.32 0.11 0.00 1.21 0.00 0.00 56.30 57.29 3br1 h ASN 117 Cb 1.04 -0.12 -0.09 0.00 -1.12 0.00 0.00 38.32 38.03 3br1 h ASN 117 CO 0.07 1.12 -0.03 0.11 -1.29 0.00 0.00 177.43 177.42 3br1 h LYS 118 N 0.16 0.08 0.38 0.81 1.57 -1.05 0.59 116.57 119.11 3br1 h LYS 118 Ca -0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3br1 h LYS 118 Cb 1.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3br1 h LYS 118 CO 0.15 0.06 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.83 3br1 h LEU 119 N 0.09 -0.43 -1.22 2.94 -0.00 -1.28 -2.72 115.31 112.68 3br1 h LEU 119 Ca 0.27 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 58.09 3br1 h LEU 119 Cb 0.41 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 3br1 h LEU 119 CO -0.47 -0.27 0.04 -0.08 -0.00 0.00 0.00 178.44 177.65 3br1 h GLU 120 N -0.56 0.57 -0.58 1.13 4.57 -0.73 -1.32 114.58 117.67 3br1 h GLU 120 Ca -0.05 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 3br1 h GLU 120 Cb 0.42 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 3br1 h GLU 120 CO 0.09 0.57 0.23 -0.91 -1.18 0.00 0.00 179.01 177.81 3br1 h ASN 121 N 0.55 0.77 -0.67 1.04 2.35 0.21 -1.16 115.58 118.68 3br1 h ASN 121 Ca 0.12 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3br1 h ASN 121 Cb 0.30 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3br1 h ASN 121 CO 0.01 0.69 0.44 0.11 -1.65 0.00 0.00 177.43 177.02 3br1 h LYS 122 N 0.83 0.88 -0.33 0.81 1.57 -0.92 0.64 116.57 120.05 3br1 h LYS 122 Ca 0.20 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3br1 h LYS 122 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3br1 h LYS 122 CO -0.02 0.59 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.52 3br1 h TYR 123 N 0.91 0.65 -0.38 -1.35 3.20 -1.14 -3.04 116.97 115.82 3br1 h TYR 123 Ca 0.24 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3br1 h TYR 123 Cb -0.09 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3br1 h TYR 123 CO 0.00 0.72 0.18 0.82 -1.64 0.00 0.00 178.16 178.24 3br1 h ILE 124 N 0.39 1.13 -0.88 1.81 2.04 -0.31 -2.46 117.51 119.23 3br1 h ILE 124 Ca 0.09 -0.38 0.17 0.00 1.00 0.00 0.00 64.86 65.75 3br1 h ILE 124 Cb 0.47 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 3br1 h ILE 124 CO 0.02 0.15 0.57 0.44 0.00 0.00 0.00 178.15 179.34 3br1 h ASP 125 N 0.53 0.51 -0.69 1.72 3.32 -0.79 -0.59 116.42 120.43 3br1 h ASP 125 Ca 0.13 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.29 3br1 h ASP 125 Cb 0.06 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3br1 h ASP 125 CO -0.02 0.23 0.37 0.00 -1.72 0.00 0.00 179.24 178.11 3br1 h ALA 126 N 1.62 0.93 -0.29 3.45 0.00 -1.53 -1.01 119.26 122.42 3br1 h ALA 126 Ca 0.45 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 3br1 h ALA 126 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3br1 h ALA 126 CO -0.19 0.03 -0.43 1.88 0.00 0.00 0.00 179.25 180.54 3br1 h TYR 127 N 0.67 0.88 -0.80 0.00 0.05 -1.28 -2.14 116.97 114.35 3br1 h TYR 127 Ca 0.32 -0.27 0.08 0.00 0.05 0.00 0.00 58.73 58.91 3br1 h TYR 127 Cb 0.24 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.73 3br1 h TYR 127 CO -0.09 1.03 0.47 1.25 -1.05 0.00 0.00 178.16 179.77 3br1 h HIS 128 N 0.59 0.85 -0.23 4.88 2.76 -0.56 0.27 115.15 123.72 3br1 h HIS 128 Ca 0.04 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3br1 h HIS 128 Cb 0.98 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3br1 h HIS 128 CO 0.05 0.38 -0.07 0.28 -1.30 0.00 0.00 177.93 177.26 3br1 h VAL 129 N 0.81 1.29 -0.35 5.26 2.07 -1.12 -0.77 116.25 123.45 3br1 h VAL 129 Ca 0.37 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3br1 h VAL 129 Cb 0.28 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3br1 h VAL 129 CO -0.22 0.34 0.16 0.40 0.02 0.00 0.00 177.57 178.27 3br1 h ILE 130 N 0.18 0.96 0.01 4.57 2.04 -0.77 -1.36 117.51 123.14 3br1 h ILE 130 Ca 0.06 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3br1 h ILE 130 Cb 0.55 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3br1 h ILE 130 CO 0.03 0.06 -0.00 -0.26 0.00 0.00 0.00 178.15 177.97 3br1 h PHE 131 N 0.34 -0.01 -0.11 1.37 0.04 -0.98 -1.99 116.94 115.60 3br1 h PHE 131 Ca 0.15 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3br1 h PHE 131 Cb 0.08 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 3br1 h PHE 131 CO -0.11 0.42 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.45 3br1 h LYS 132 N -0.45 -0.43 0.00 1.51 3.64 -1.03 0.16 116.57 119.97 3br1 h LYS 132 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3br1 h LYS 132 Cb 0.44 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3br1 h LYS 132 CO 0.00 -0.28 -0.05 0.93 -2.27 0.00 0.00 179.45 177.78 3br1 h GLU 133 N -0.44 0.00 -0.33 1.90 4.39 -1.31 -1.02 114.58 117.76 3br1 h GLU 133 Ca 0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 3br1 h GLU 133 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3br1 h GLU 133 CO -0.35 0.05 -0.23 0.78 -1.16 0.00 0.00 179.01 178.10 3br1 h GLY 134 N 0.16 0.71 0.87 -3.84 0.00 -0.41 -1.09 103.07 99.47 3br1 h GLY 134 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3br1 h GLY 134 CO 0.01 0.54 0.02 3.43 0.00 0.00 0.00 176.54 180.54 3br1 h ASN 135 N 0.57 0.07 0.09 0.19 2.35 0.25 0.25 115.58 119.36 3br1 h ASN 135 Ca 0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3br1 h ASN 135 Cb 0.70 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 3br1 h ASN 135 CO 0.05 0.19 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.86 3br1 h LEU 136 N -0.06 0.00 -0.54 1.61 4.07 -1.24 -1.56 115.31 117.60 3br1 h LEU 136 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3br1 h LEU 136 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3br1 h LEU 136 CO -0.00 0.09 -0.28 0.59 -1.08 0.00 0.00 178.44 177.76 3br1 n ASN 137 N -4.40 1.12 -3.03 -0.43 4.13 -0.42 -4.96 115.26 107.27 3br1 n ASN 137 Ca -0.03 -0.95 -0.21 0.00 1.68 0.00 0.00 54.58 55.07 3br1 n ASN 137 Cb 0.17 0.17 0.05 0.00 -1.54 0.00 0.00 39.78 38.63 3br1 n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3br1 n GLY 138 N 1.35 -0.41 0.14 7.41 0.00 -0.51 -4.87 105.19 108.29 3br1 n GLY 138 Ca 0.12 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3br1 n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3br1 h GLU 139 N -1.85 0.00 -2.74 1.61 5.08 -1.26 -3.48 114.58 111.94 3br1 h GLU 139 Ca -0.50 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.94 3br1 h GLU 139 Cb 1.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3br1 h GLU 139 CO 0.51 0.54 0.40 1.67 -1.00 0.00 0.00 179.01 181.14 3br1 s TRP 140 N -3.04 0.02 -0.37 4.33 -2.14 -1.21 -4.87 118.94 111.67 3br1 s TRP 140 Ca 0.03 -0.52 0.01 0.00 2.66 0.00 0.00 56.10 58.28 3br1 s TRP 140 Cb 0.08 0.75 0.11 0.00 -3.10 0.00 0.00 33.47 31.32 3br1 s TRP 140 CO 0.74 -1.20 0.15 0.45 -2.66 0.00 0.00 176.95 174.44 3br1 s SER 141 N -3.14 4.00 -0.28 -2.66 0.15 0.55 -4.12 113.70 108.19 3br1 s SER 141 Ca 0.16 -2.15 -0.09 0.00 0.70 0.00 0.00 55.95 54.57 3br1 s SER 141 Cb -0.04 -1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 3br1 s SER 141 CO 0.07 -0.35 0.14 -0.63 1.20 0.00 0.00 173.24 173.68 3br1 s ILE 142 N 0.95 4.72 0.00 6.45 1.01 -1.26 -4.75 121.20 128.32 3br1 s ILE 142 Ca 0.13 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 3br1 s ILE 142 Cb -0.21 -3.30 -0.34 0.00 0.01 0.00 0.00 42.46 38.62 3br1 s ILE 142 CO -0.12 0.21 0.89 -0.55 0.00 0.00 0.00 174.94 175.37 3br1 h ASN 143 N 8.32 0.79 -2.35 3.58 -1.07 -1.98 -3.39 115.58 119.48 3br1 h ASN 143 Ca -0.35 -0.93 -0.79 0.00 0.07 0.00 0.00 56.30 54.31 3br1 h ASN 143 Cb 1.17 -0.26 -0.29 0.00 -2.07 0.00 0.00 38.32 36.87 3br1 h ASN 143 CO 0.59 1.74 0.81 -0.90 0.07 0.00 0.00 177.43 179.74 3br1 n ASP 144 N -3.68 6.90 -0.21 6.14 5.75 -1.26 -4.87 116.55 125.32 3br1 n ASP 144 Ca -0.19 -3.65 -0.04 0.00 -0.01 0.00 0.00 54.79 50.90 3br1 n ASP 144 Cb 1.10 -1.12 0.06 0.00 -1.03 0.00 0.00 41.12 40.14 3br1 n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3br1 h VAL 145 N 2.47 1.04 -0.38 2.12 2.07 -2.00 -2.40 116.25 119.18 3br1 h VAL 145 Ca 0.45 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3br1 h VAL 145 Cb 0.38 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3br1 h VAL 145 CO 1.16 0.13 0.26 0.78 0.02 0.00 0.00 177.57 179.92 3br1 h ASN 146 N 0.70 0.23 0.02 0.57 2.35 -1.97 -0.37 115.58 117.10 3br1 h ASN 146 Ca 0.25 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3br1 h ASN 146 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3br1 h ASN 146 CO -0.12 0.15 -0.01 0.00 -1.65 0.00 0.00 177.43 175.80 3br1 h ALA 147 N 1.80 -0.03 -0.96 -0.83 0.00 -1.87 -3.09 119.26 114.28 3br1 h ALA 147 Ca 0.17 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.82 3br1 h ALA 147 Cb 0.33 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3br1 h ALA 147 CO -0.03 -0.08 0.61 0.28 0.00 0.00 0.00 179.25 180.03 3br1 h VAL 148 N -0.89 0.92 0.69 0.00 2.07 -1.04 -0.75 116.25 117.23 3br1 h VAL 148 Ca -0.00 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3br1 h VAL 148 Cb 0.76 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3br1 h VAL 148 CO 0.00 0.17 -0.40 0.28 0.02 0.00 0.00 177.57 177.65 3br1 h SER 149 N 0.93 -0.98 -1.01 0.57 0.02 -1.19 0.42 113.55 112.30 3br1 h SER 149 Ca 0.47 0.05 0.24 0.00 -0.84 0.00 0.00 61.79 61.71 3br1 h SER 149 Cb 0.51 0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.23 3br1 h SER 149 CO -0.24 -0.63 0.64 0.11 -1.14 0.00 0.00 176.83 175.57 3br1 h LYS 150 N -1.01 0.49 0.39 3.45 1.57 -1.24 -0.07 116.57 120.15 3br1 h LYS 150 Ca -0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3br1 h LYS 150 Cb 0.81 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3br1 h LYS 150 CO 0.11 0.32 -0.19 0.82 -0.57 0.00 0.00 179.45 179.94 3br1 h ILE 151 N 0.50 0.37 -0.36 1.86 2.04 -0.83 -2.03 117.51 119.06 3br1 h ILE 151 Ca 0.59 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3br1 h ILE 151 Cb 1.30 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 3br1 h ILE 151 CO -0.33 0.08 -0.52 0.00 0.00 0.00 0.00 178.15 177.38 3br1 h ALA 152 N -0.74 -0.76 -0.62 1.87 0.00 -0.36 0.77 119.26 119.42 3br1 h ALA 152 Ca -0.05 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.98 3br1 h ALA 152 Cb 0.53 1.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 3br1 h ALA 152 CO 0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 179.25 178.30 3br1 h ALA 153 N -0.15 0.58 0.00 0.00 0.00 -1.10 0.11 119.26 118.69 3br1 h ALA 153 Ca 0.06 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3br1 h ALA 153 Cb 0.56 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3br1 h ALA 153 CO -0.54 -0.40 -0.80 -0.91 0.00 0.00 0.00 179.25 176.59 3br1 h ASN 154 N 0.09 0.00 -0.40 0.00 2.35 -0.57 -0.37 115.58 116.68 3br1 h ASN 154 Ca 0.32 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3br1 h ASN 154 Cb 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3br1 h ASN 154 CO -0.56 0.80 0.08 0.00 -1.65 0.00 0.00 177.43 176.11 3br1 h ALA 155 N 1.20 0.53 -0.58 -0.83 0.00 0.12 -2.28 119.26 117.42 3br1 h ALA 155 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3br1 h ALA 155 Cb 1.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3br1 h ALA 155 CO 0.10 0.22 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 3br1 h VAL 156 N 0.50 1.27 -0.65 0.00 2.07 -0.69 -1.34 116.25 117.41 3br1 h VAL 156 Ca 0.12 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3br1 h VAL 156 Cb 0.34 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3br1 h VAL 156 CO 0.00 0.42 0.36 0.78 0.02 0.00 0.00 177.57 179.15 3br1 h ASN 157 N 0.92 0.53 -0.31 0.57 2.35 -1.04 0.38 115.58 118.98 3br1 h ASN 157 Ca 0.16 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3br1 h ASN 157 Cb 0.57 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3br1 h ASN 157 CO 0.03 0.34 0.11 1.23 -1.65 0.00 0.00 177.43 177.49 3br1 h GLY 158 N 0.66 0.50 0.90 2.83 0.00 -1.16 0.31 103.07 107.11 3br1 h GLY 158 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3br1 h GLY 158 CO -0.18 0.27 0.05 -2.22 0.00 0.00 0.00 176.54 174.46 3br1 h ILE 159 N 0.34 0.97 0.09 2.60 2.04 -0.87 0.84 117.51 123.52 3br1 h ILE 159 Ca 0.10 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3br1 h ILE 159 Cb 0.22 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3br1 h ILE 159 CO -0.01 0.02 -0.17 0.58 0.00 0.00 0.00 178.15 178.58 3br1 h VAL 160 N 0.12 0.61 0.04 1.67 2.07 0.02 -2.95 116.25 117.82 3br1 h VAL 160 Ca 0.06 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.42 3br1 h VAL 160 Cb 0.03 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3br1 h VAL 160 CO -0.06 0.00 -0.66 0.74 0.02 0.00 0.00 177.57 177.62 3br1 h THR 161 N -0.32 1.45 -0.01 2.57 2.02 -0.17 -3.35 112.91 115.10 3br1 h THR 161 Ca 0.03 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3br1 h THR 161 Cb 0.35 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3br1 h THR 161 CO -0.10 0.64 -0.19 0.49 0.37 0.00 0.00 175.52 176.72 3br1 n PHE 162 N -4.20 0.00 0.23 3.16 3.01 0.27 -3.83 117.46 116.11 3br1 n PHE 162 Ca -0.11 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.46 3br1 n PHE 162 Cb 0.71 -0.08 0.52 0.00 -0.01 0.00 0.00 39.48 40.62 3br1 n PHE 162 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3br1 h THR 163 N 1.61 0.50 0.00 4.37 2.02 -1.65 -3.42 112.91 116.33 3br1 h THR 163 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3br1 h THR 163 Cb 0.52 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3br1 h THR 163 CO 0.00 0.18 0.00 1.57 0.37 0.00 0.00 175.52 177.64 3br1 n HIS 164 N -3.39 0.00 -0.23 3.16 -0.00 -1.25 -3.21 115.22 110.30 3br1 n HIS 164 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3br1 n HIS 164 Cb 0.39 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.81 3br1 n HIS 164 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3br1 n GLU 165 N -2.90 0.71 -4.12 1.57 1.02 -1.26 -4.84 120.64 110.82 3br1 n GLU 165 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3br1 n GLU 165 Cb 0.00 -1.15 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 3br1 n GLU 165 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3br1 s GLN 166 N 0.55 1.12 0.26 3.49 -0.21 -1.20 -5.15 119.66 118.52 3br1 s GLN 166 Ca 0.00 -1.44 -0.30 0.00 0.02 0.00 0.00 55.36 53.64 3br1 s GLN 166 Cb 0.00 0.30 -0.09 0.00 1.00 0.00 0.00 33.01 34.21 3br1 s GLN 166 CO 0.00 -0.37 1.00 1.21 -2.12 0.00 0.00 175.29 175.01 3br1 s ASN 167 N -3.07 7.50 0.55 5.90 2.47 -1.26 -4.97 114.94 122.06 3br1 s ASN 167 Ca 0.28 2.07 0.30 0.00 0.42 0.00 0.00 52.86 55.92 3br1 s ASN 167 Cb 0.06 -2.62 1.57 0.00 -1.45 0.00 0.00 41.25 38.82 3br1 s ASN 167 CO 0.06 0.05 2.11 -0.29 -3.72 0.00 0.00 177.10 175.30 3br1 h ILE 168 N 3.12 0.44 0.00 -5.21 6.09 -2.00 -1.50 117.51 118.45 3br1 h ILE 168 Ca -0.46 -0.44 -0.17 0.00 -1.37 0.00 0.00 64.86 62.42 3br1 h ILE 168 Cb 1.20 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 39.77 3br1 h ILE 168 CO 0.68 0.08 -0.82 -1.13 -3.07 0.00 0.00 178.15 173.89 3br1 h ASN 169 N 0.00 0.00 0.06 2.19 -0.00 -2.01 -3.14 115.58 112.68 3br1 h ASN 169 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3br1 h ASN 169 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 3br1 h ASN 169 CO 0.01 0.82 -0.03 -0.08 -0.00 0.00 0.00 177.43 178.15 3br1 h GLU 170 N 0.00 -0.07 -0.65 6.67 4.57 -1.69 -3.02 114.58 120.39 3br1 h GLU 170 Ca -0.01 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 3br1 h GLU 170 Cb 1.49 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.99 3br1 h GLU 170 CO 0.11 0.45 0.01 0.00 -1.18 0.00 0.00 179.01 178.40 3br1 h ARG 171 N -0.64 0.12 -0.75 1.92 3.08 -1.54 0.41 114.38 116.97 3br1 h ARG 171 Ca -0.01 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3br1 h ARG 171 Cb 0.55 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 3br1 h ARG 171 CO 0.01 0.08 0.45 0.82 -1.07 0.00 0.00 179.97 180.26 3br1 h ILE 172 N 0.13 1.01 -0.43 2.04 2.04 -1.64 0.26 117.51 120.92 3br1 h ILE 172 Ca 0.34 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3br1 h ILE 172 Cb 0.57 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3br1 h ILE 172 CO -0.55 0.15 0.18 0.11 0.00 0.00 0.00 178.15 178.04 3br1 h LYS 173 N 0.83 0.35 0.35 2.37 1.79 -0.16 -0.85 116.57 121.25 3br1 h LYS 173 Ca 0.33 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 3br1 h LYS 173 Cb 0.16 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3br1 h LYS 173 CO -0.17 0.23 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.20 3br1 h LEU 174 N 0.36 -0.40 -1.03 2.94 3.38 -0.30 -0.59 115.31 119.69 3br1 h LEU 174 Ca 0.19 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.22 3br1 h LEU 174 Cb 0.15 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3br1 h LEU 174 CO -0.17 -0.07 0.61 -0.03 0.09 0.00 0.00 178.44 178.87 3br1 h MET 175 N -0.75 0.74 -0.25 1.13 4.05 -0.35 0.70 114.93 120.19 3br1 h MET 175 Ca -0.05 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.17 3br1 h MET 175 Cb 0.51 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3br1 h MET 175 CO 0.08 0.49 -0.48 -0.91 0.23 0.00 0.00 176.91 176.32 3br1 h ASN 176 N 0.76 0.73 -0.43 1.39 2.35 -1.12 0.08 115.58 119.35 3br1 h ASN 176 Ca 0.57 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3br1 h ASN 176 Cb 0.90 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3br1 h ASN 176 CO -0.37 1.09 0.28 0.50 -1.65 0.00 0.00 177.43 177.28 3br1 h LYS 177 N 0.53 0.57 -0.37 0.81 1.63 0.16 0.14 116.57 120.04 3br1 h LYS 177 Ca 0.03 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3br1 h LYS 177 Cb 1.03 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 3br1 h LYS 177 CO 0.10 0.39 0.22 0.35 -3.45 0.00 0.00 179.45 177.06 3br1 h PHE 178 N 0.58 0.41 -0.98 1.91 3.57 0.23 0.87 116.94 123.53 3br1 h PHE 178 Ca 0.16 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.76 3br1 h PHE 178 Cb -0.05 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.49 3br1 h PHE 178 CO -0.04 0.24 0.63 0.77 -2.23 0.00 0.00 178.31 177.68 3br1 h SER 179 N 0.45 0.96 0.47 0.41 0.02 -0.38 0.16 113.55 115.64 3br1 h SER 179 Ca 0.15 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3br1 h SER 179 Cb -0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3br1 h SER 179 CO -0.07 0.58 -0.23 -0.61 -1.14 0.00 0.00 176.83 175.36 3br1 h GLN 180 N 1.07 -0.61 -0.51 3.45 4.15 -0.05 -2.55 115.11 120.06 3br1 h GLN 180 Ca 0.45 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.98 3br1 h GLN 180 Cb 0.31 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 3br1 h GLN 180 CO -0.20 -0.31 0.17 0.82 -1.93 0.00 0.00 178.83 177.38 3br1 h ILE 181 N -0.91 0.81 0.78 2.39 2.04 -0.36 -1.86 117.51 120.41 3br1 h ILE 181 Ca -0.07 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3br1 h ILE 181 Cb 0.59 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3br1 h ILE 181 CO 0.11 0.06 -0.38 0.15 0.00 0.00 0.00 178.15 178.09 3br1 h PHE 182 N 0.34 -0.98 -1.00 1.37 3.04 -0.72 -2.77 116.94 116.23 3br1 h PHE 182 Ca 0.25 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.36 3br1 h PHE 182 Cb 0.28 0.32 -0.10 0.00 2.56 0.00 0.00 35.95 39.01 3br1 h PHE 182 CO -0.17 -0.61 0.61 -0.07 -2.02 0.00 0.00 178.31 176.05 3br1 h LEU 183 N -1.10 0.76 0.00 0.59 3.38 -1.43 0.14 115.31 117.65 3br1 h LEU 183 Ca -0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3br1 h LEU 183 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3br1 h LEU 183 CO 0.18 0.28 0.00 -3.20 0.09 0.00 0.00 178.44 175.78 3br1 n ASN 184 N -4.73 0.00 -2.24 -0.43 2.85 -0.70 -2.51 115.26 107.50 3br1 n ASN 184 Ca 0.23 -1.38 -0.23 0.00 -0.11 0.00 0.00 54.58 53.09 3br1 n ASN 184 Cb 0.58 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.61 3br1 n ASN 184 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3br1 n GLY 185 N 0.52 5.82 1.28 8.20 0.00 0.04 -4.83 105.19 116.22 3br1 n GLY 185 Ca 0.09 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.56 3br1 n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3br1 n LEU 186 N -0.61 0.35 0.00 0.99 4.77 -1.04 -5.04 117.00 116.42 3br1 n LEU 186 Ca 0.39 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3br1 n LEU 186 Cb 0.86 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3br1 n LEU 186 CO 0.35 -0.62 0.00 -1.20 -1.33 0.00 0.00 177.39 174.59