#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 0.32 -0.53 -4.53 4.07 -1.95 0.21 115.31 112.90 3br1 h LEU 3 Ca 0.00 0.15 0.11 0.00 0.08 0.00 0.00 57.88 58.21 3br1 h LEU 3 Cb 0.00 0.12 -0.10 0.00 1.08 0.00 0.00 40.66 41.76 3br1 h LEU 3 CO 0.00 -0.16 -0.16 0.07 -1.08 0.00 0.00 178.44 177.11 3br1 h LYS 4 N 0.16 -0.03 0.00 1.13 5.09 -1.98 -0.37 116.57 120.57 3br1 h LYS 4 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.52 3br1 h LYS 4 Cb 2.25 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.59 3br1 h LYS 4 CO -0.46 -0.02 0.00 -0.44 -2.09 0.00 0.00 179.45 176.44 3br1 h ASP 5 N -0.03 0.00 0.81 7.07 3.32 -1.05 -3.06 116.42 123.48 3br1 h ASP 5 Ca 0.25 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 3br1 h ASP 5 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3br1 h ASP 5 CO -0.56 0.00 -0.58 0.11 -1.72 0.00 0.00 179.24 176.49 3br1 h LYS 6 N 0.00 0.00 0.19 3.56 1.57 -0.93 -2.13 116.57 118.83 3br1 h LYS 6 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3br1 h LYS 6 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3br1 h LYS 6 CO 0.00 0.58 -0.09 0.82 -0.57 0.00 0.00 179.45 180.19 3br1 h ILE 7 N 0.00 0.88 -0.24 1.86 1.08 -1.01 -1.40 117.51 118.69 3br1 h ILE 7 Ca -0.01 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.58 3br1 h ILE 7 Cb 1.14 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3br1 h ILE 7 CO 0.08 0.20 0.17 -0.07 -0.69 0.00 0.00 178.15 177.83 3br1 h LEU 8 N -0.76 0.08 0.44 1.44 3.38 -1.62 0.72 115.31 118.99 3br1 h LEU 8 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3br1 h LEU 8 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3br1 h LEU 8 CO 0.04 0.05 -0.21 1.23 0.09 0.00 0.00 178.44 179.65 3br1 h GLY 9 N 0.09 -0.61 1.01 0.83 0.00 -1.34 -2.88 103.07 100.17 3br1 h GLY 9 Ca 0.11 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 3br1 h GLY 9 CO -0.01 -0.22 0.10 -2.08 0.00 0.00 0.00 176.54 174.33 3br1 h VAL 10 N -1.10 1.25 0.02 4.60 2.07 -1.09 -3.12 116.25 118.89 3br1 h VAL 10 Ca -0.06 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3br1 h VAL 10 Cb 0.51 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3br1 h VAL 10 CO 0.10 0.35 -0.49 0.00 0.02 0.00 0.00 177.57 177.55 3br1 h ALA 11 N 1.00 -0.84 -0.50 1.67 0.00 0.34 -0.93 119.26 120.01 3br1 h ALA 11 Ca 0.17 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3br1 h ALA 11 Cb 0.39 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3br1 h ALA 11 CO 0.01 -1.05 -0.38 -0.22 0.00 0.00 0.00 179.25 177.61 3br1 h LYS 12 N -0.65 -0.23 -0.70 0.00 3.64 -1.52 0.18 116.57 117.29 3br1 h LYS 12 Ca 0.03 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3br1 h LYS 12 Cb 0.71 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3br1 h LYS 12 CO -0.33 -0.15 0.26 0.93 -2.27 0.00 0.00 179.45 177.89 3br1 h GLU 13 N -0.23 1.05 -0.44 1.90 4.39 -1.39 0.39 114.58 120.24 3br1 h GLU 13 Ca 0.19 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3br1 h GLU 13 Cb 0.56 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3br1 h GLU 13 CO -0.63 0.88 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.01 3br1 h LEU 14 N 1.00 0.71 -0.86 1.33 3.38 -0.48 0.33 115.31 120.72 3br1 h LEU 14 Ca 0.23 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3br1 h LEU 14 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3br1 h LEU 14 CO -0.02 0.79 0.09 -0.26 0.09 0.00 0.00 178.44 179.14 3br1 h PHE 15 N 0.69 0.98 -0.26 1.13 0.05 0.23 0.62 116.94 120.37 3br1 h PHE 15 Ca 0.13 -0.12 -0.17 0.00 3.82 0.00 0.00 57.97 61.63 3br1 h PHE 15 Cb 0.46 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.14 3br1 h PHE 15 CO 0.02 0.84 -0.50 0.82 -0.18 0.00 0.00 178.31 179.31 3br1 h ILE 16 N 0.88 1.29 -0.00 -0.55 2.04 -0.38 0.11 117.51 120.90 3br1 h ILE 16 Ca 0.18 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 3br1 h ILE 16 Cb 0.40 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3br1 h ILE 16 CO 0.01 0.55 -0.00 0.11 0.00 0.00 0.00 178.15 178.81 3br1 h LYS 17 N 0.56 0.01 -0.00 2.37 1.57 -0.17 -3.39 116.57 117.52 3br1 h LYS 17 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3br1 h LYS 17 Cb 1.11 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3br1 h LYS 17 CO 0.11 0.45 -0.71 0.09 -0.57 0.00 0.00 179.45 178.82 3br1 n ASN 18 N -4.87 0.93 -0.31 0.86 3.02 0.22 -5.08 115.26 110.02 3br1 n ASN 18 Ca -0.08 -0.96 0.04 0.00 -0.03 0.00 0.00 54.58 53.55 3br1 n ASN 18 Cb 0.23 0.92 -0.01 0.00 -0.61 0.00 0.00 39.78 40.31 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 1.36 -1.59 0.15 7.41 0.00 0.03 -4.16 105.19 108.39 3br1 n GLY 19 Ca 0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.29 0.55 0.08 1.61 3.20 -1.77 -3.16 116.97 117.20 3br1 h TYR 20 Ca -0.00 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 3br1 h TYR 20 Cb 0.29 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3br1 h TYR 20 CO -0.54 0.90 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.93 3br1 h ASN 21 N 0.04 -0.09 0.79 -2.11 2.35 -1.93 -3.12 115.58 111.52 3br1 h ASN 21 Ca 0.01 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3br1 h ASN 21 Cb 0.87 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3br1 h ASN 21 CO 0.06 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.19 3br1 h ALA 22 N 0.29 1.00 -1.64 -0.83 0.00 -1.72 -3.40 119.26 112.97 3br1 h ALA 22 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 3br1 h ALA 22 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3br1 h ALA 22 CO 0.02 0.00 1.16 0.99 0.00 0.00 0.00 179.25 181.42 3br1 s THR 23 N -3.51 3.68 0.19 0.00 2.01 -1.18 -4.99 115.64 111.85 3br1 s THR 23 Ca 0.02 0.60 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 3br1 s THR 23 Cb 0.09 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 3br1 s THR 23 CO 0.45 -0.97 0.41 0.42 -0.69 0.00 0.00 174.62 174.23 3br1 s THR 24 N 6.59 5.17 0.19 -0.82 -4.23 -1.26 -4.97 115.64 116.30 3br1 s THR 24 Ca 0.60 -0.18 0.25 0.00 -1.18 0.00 0.00 61.69 61.18 3br1 s THR 24 Cb -0.13 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.26 3br1 s THR 24 CO 0.26 -0.13 1.88 0.00 -0.54 0.00 0.00 174.62 176.10 3br1 h THR 25 N 1.67 0.53 0.01 3.99 1.03 -1.96 -2.39 112.91 115.79 3br1 h THR 25 Ca -0.47 -0.99 -0.00 0.00 -0.01 0.00 0.00 66.41 64.94 3br1 h THR 25 Cb 1.18 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 3br1 h THR 25 CO 0.69 0.19 -0.00 1.23 -0.01 0.00 0.00 175.52 177.62 3br1 h GLY 26 N 1.84 -0.01 -0.34 2.99 0.00 -1.98 -2.36 103.07 103.20 3br1 h GLY 26 Ca -0.00 0.01 0.24 0.00 0.00 0.00 0.00 47.33 47.58 3br1 h GLY 26 CO 0.03 -0.01 0.38 -2.09 0.00 0.00 0.00 176.54 174.85 3br1 h GLU 27 N -0.82 0.32 -0.02 4.80 4.81 -1.94 0.97 114.58 122.69 3br1 h GLU 27 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3br1 h GLU 27 Cb 0.78 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3br1 h GLU 27 CO 0.00 0.21 0.01 0.82 -0.73 0.00 0.00 179.01 179.33 3br1 h ILE 28 N 0.33 1.08 -0.70 2.32 2.04 -1.48 -2.46 117.51 118.64 3br1 h ILE 28 Ca 0.59 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 66.25 3br1 h ILE 28 Cb 1.19 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3br1 h ILE 28 CO -0.58 0.06 0.45 0.58 0.00 0.00 0.00 178.15 178.65 3br1 h VAL 29 N -0.06 1.12 0.56 1.67 2.07 0.21 -0.81 116.25 121.01 3br1 h VAL 29 Ca 0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3br1 h VAL 29 Cb 0.09 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3br1 h VAL 29 CO -0.00 0.16 -0.40 0.50 0.02 0.00 0.00 177.57 177.85 3br1 h LYS 30 N 0.88 -0.89 0.00 1.57 3.11 0.81 -2.71 116.57 119.34 3br1 h LYS 30 Ca 0.28 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 3br1 h LYS 30 Cb -0.01 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3br1 h LYS 30 CO -0.09 -0.60 0.00 1.28 -2.81 0.00 0.00 179.45 177.23 3br1 n LEU 31 N -5.52 0.28 -0.93 5.20 4.32 -0.94 -2.80 117.00 116.61 3br1 n LEU 31 Ca -0.12 0.56 0.12 0.00 -0.02 0.00 0.00 56.01 56.54 3br1 n LEU 31 Cb 0.41 -0.51 0.25 0.00 -1.62 0.00 0.00 43.42 41.96 3br1 n LEU 31 CO 0.32 -0.31 0.72 -1.54 -1.22 0.00 0.00 177.39 175.35 3br1 n SER 32 N -1.80 2.82 -3.94 -1.43 3.41 -0.32 -4.96 113.62 107.40 3br1 n SER 32 Ca 0.04 -1.90 -0.32 0.00 -0.26 0.00 0.00 58.87 56.43 3br1 n SER 32 Cb 0.23 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.10 -1.75 0.00 4.33 1.02 -1.12 -4.84 120.64 119.38 3br1 n GLU 33 Ca 0.18 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3br1 n GLU 33 Cb 0.52 -3.88 0.00 0.00 -0.02 0.00 0.00 31.44 28.06 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 -2.71 0.01 -3.93 1.62 2.88 -1.04 -5.01 113.62 105.43 3br1 n SER 34 Ca -0.21 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.23 3br1 n SER 34 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.14 0.19 -3.46 1.04 -1.26 -4.75 113.70 106.60 3br1 s SER 35 Ca 0.00 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.92 3br1 s SER 35 Cb 0.00 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.44 3br1 s SER 35 CO 0.00 -0.33 1.65 0.11 0.98 0.00 0.00 173.24 175.65 3br1 h LYS 36 N 4.50 0.01 -0.92 4.02 1.57 -1.93 0.23 116.57 124.04 3br1 h LYS 36 Ca -0.31 -0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.73 3br1 h LYS 36 Cb 1.20 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 3br1 h LYS 36 CO 0.41 0.00 0.30 0.78 -0.57 0.00 0.00 179.45 180.37 3br1 h GLY 37 N 0.01 1.55 0.73 3.86 0.00 -1.99 0.97 103.07 108.19 3br1 h GLY 37 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 3br1 h GLY 37 CO -0.53 -0.44 -0.47 -0.57 0.00 0.00 0.00 176.54 174.53 3br1 h ASN 38 N 0.19 0.47 -0.16 0.19 -0.73 -1.12 -2.71 115.58 111.70 3br1 h ASN 38 Ca 0.61 -0.72 0.05 0.00 1.87 0.00 0.00 56.30 58.11 3br1 h ASN 38 Cb 1.31 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 3br1 h ASN 38 CO -0.69 1.12 -0.17 0.25 -0.37 0.00 0.00 177.43 177.58 3br1 h LEU 39 N -0.14 -0.54 -1.33 0.34 6.46 0.63 -2.51 115.31 118.22 3br1 h LEU 39 Ca -0.05 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3br1 h LEU 39 Cb 1.17 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 3br1 h LEU 39 CO 0.09 -0.22 -0.29 1.88 -0.62 0.00 0.00 178.44 179.29 3br1 h TYR 40 N -0.20 0.00 0.40 1.25 0.05 -0.94 0.37 116.97 117.89 3br1 h TYR 40 Ca 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3br1 h TYR 40 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3br1 h TYR 40 CO -0.30 0.29 -0.30 1.88 -1.05 0.00 0.00 178.16 178.68 3br1 h TYR 41 N 0.00 -0.80 -0.26 4.88 -1.99 -1.12 -3.30 116.97 114.39 3br1 h TYR 41 Ca -0.00 -0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.55 3br1 h TYR 41 Cb 0.65 0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.68 3br1 h TYR 41 CO 0.00 -0.45 -0.51 0.45 -0.00 0.00 0.00 178.16 177.66 3br1 h HIS 42 N -0.69 1.00 -3.18 4.88 3.86 -1.03 -3.42 115.15 116.57 3br1 h HIS 42 Ca -0.04 -0.36 -0.61 0.00 -1.16 0.00 0.00 60.37 58.20 3br1 h HIS 42 Cb 0.60 -0.19 -0.35 0.00 1.06 0.00 0.00 27.41 28.53 3br1 h HIS 42 CO -0.14 1.17 -0.84 -0.06 0.86 0.00 0.00 177.93 178.92 3br1 s PHE 43 N -4.09 2.20 0.19 2.45 0.40 0.06 -5.04 117.98 114.15 3br1 s PHE 43 Ca -0.11 -1.16 -0.13 0.00 -0.60 0.00 0.00 56.93 54.93 3br1 s PHE 43 Cb 0.09 -1.58 0.19 0.00 0.51 0.00 0.00 43.02 42.23 3br1 s PHE 43 CO 0.87 -0.60 1.73 1.57 0.70 0.00 0.00 175.22 179.49 3br1 h LYS 44 N 7.71 0.26 -3.64 0.44 -0.00 -1.83 -3.35 116.57 116.17 3br1 h LYS 44 Ca -0.35 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.65 60.17 3br1 h LYS 44 Cb 1.16 -0.06 -0.17 0.00 -0.00 0.00 0.00 32.23 33.16 3br1 h LYS 44 CO 0.53 0.18 -0.42 0.95 -0.00 0.00 0.00 179.45 180.68 3br1 s THR 45 N -6.13 0.12 0.30 0.07 -4.23 -1.26 -4.91 115.64 99.60 3br1 s THR 45 Ca -0.13 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 3br1 s THR 45 Cb 0.15 -0.97 0.30 0.00 1.34 0.00 0.00 72.50 73.32 3br1 s THR 45 CO 0.73 -0.54 1.70 0.50 -0.54 0.00 0.00 174.62 176.46 3br1 h LYS 46 N 3.40 0.41 -0.59 3.99 3.64 -1.98 0.32 116.57 125.75 3br1 h LYS 46 Ca -0.32 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.11 3br1 h LYS 46 Cb 1.19 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 3br1 h LYS 46 CO 0.50 0.27 0.25 0.93 -2.27 0.00 0.00 179.45 179.13 3br1 h GLU 47 N 0.42 0.45 -0.21 1.90 3.07 -1.99 0.17 114.58 118.39 3br1 h GLU 47 Ca 0.60 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.37 3br1 h GLU 47 Cb 1.16 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 3br1 h GLU 47 CO -0.53 0.30 -0.08 -0.97 -1.40 0.00 0.00 179.01 176.32 3br1 h ASN 48 N 0.46 0.44 -0.28 1.42 -1.24 -1.23 -2.35 115.58 112.81 3br1 h ASN 48 Ca 0.29 -0.40 0.07 0.00 0.71 0.00 0.00 56.30 56.97 3br1 h ASN 48 Cb 0.30 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.16 3br1 h ASN 48 CO -0.26 0.73 -0.18 0.25 -1.29 0.00 0.00 177.43 176.69 3br1 h LEU 49 N 0.14 -0.59 -0.90 0.34 5.85 0.31 0.22 115.31 120.69 3br1 h LEU 49 Ca 0.05 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3br1 h LEU 49 Cb 0.56 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3br1 h LEU 49 CO 0.03 -0.22 0.48 0.15 -0.34 0.00 0.00 178.44 178.54 3br1 h PHE 50 N -0.15 1.24 -0.17 1.25 3.04 -0.71 0.48 116.94 121.92 3br1 h PHE 50 Ca 0.15 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3br1 h PHE 50 Cb 0.38 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 3br1 h PHE 50 CO -0.36 0.86 -0.26 1.25 -2.02 0.00 0.00 178.31 177.78 3br1 h LEU 51 N 1.26 0.31 -0.10 0.59 5.85 -0.69 -1.42 115.31 121.12 3br1 h LEU 51 Ca 0.31 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3br1 h LEU 51 Cb 0.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3br1 h LEU 51 CO -0.05 0.57 -0.38 -0.08 -0.34 0.00 0.00 178.44 178.16 3br1 h GLU 52 N 0.28 0.43 -0.92 1.25 4.81 0.08 -2.25 114.58 118.27 3br1 h GLU 52 Ca 0.04 -0.34 0.20 0.00 -0.13 0.00 0.00 59.36 59.14 3br1 h GLU 52 Cb 0.61 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 3br1 h GLU 52 CO 0.04 0.96 0.48 0.82 -0.73 0.00 0.00 179.01 180.59 3br1 h ILE 53 N -0.00 0.58 -0.25 2.32 5.03 -0.72 -1.11 117.51 123.36 3br1 h ILE 53 Ca -0.02 -0.19 -0.10 0.00 -0.12 0.00 0.00 64.86 64.44 3br1 h ILE 53 Cb 1.02 -0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 3br1 h ILE 53 CO 0.08 0.10 -0.25 -0.07 -0.68 0.00 0.00 178.15 177.33 3br1 h LEU 54 N 0.54 0.48 -0.23 1.44 4.07 -1.04 -1.87 115.31 118.70 3br1 h LEU 54 Ca 0.56 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.33 3br1 h LEU 54 Cb 0.98 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 3br1 h LEU 54 CO -0.46 0.73 0.05 0.78 -1.08 0.00 0.00 178.44 178.46 3br1 h ASN 55 N 0.42 0.35 0.14 -0.43 -0.26 -0.62 -1.87 115.58 113.32 3br1 h ASN 55 Ca 0.06 -0.23 0.02 0.00 -0.56 0.00 0.00 56.30 55.59 3br1 h ASN 55 Cb 0.67 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.80 3br1 h ASN 55 CO 0.05 0.49 -0.30 0.40 -1.06 0.00 0.00 177.43 177.01 3br1 h ILE 56 N 0.19 0.35 0.09 2.81 2.04 -1.32 -1.71 117.51 119.96 3br1 h ILE 56 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3br1 h ILE 56 Cb 0.28 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3br1 h ILE 56 CO 0.00 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.62 3br1 h GLU 57 N -0.53 -0.36 0.00 2.37 4.39 -1.25 0.38 114.58 119.58 3br1 h GLU 57 Ca 0.03 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3br1 h GLU 57 Cb 0.56 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3br1 h GLU 57 CO -0.17 -0.24 -0.12 1.49 -1.16 0.00 0.00 179.01 178.82 3br1 h GLU 58 N -0.37 0.00 -0.01 2.33 4.57 -1.35 0.31 114.58 120.06 3br1 h GLU 58 Ca 0.03 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3br1 h GLU 58 Cb 0.40 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3br1 h GLU 58 CO -0.12 0.12 -0.31 1.03 -1.18 0.00 0.00 179.01 178.55 3br1 h SER 59 N 0.00 0.29 -0.67 1.04 0.87 -0.61 -1.99 113.55 112.47 3br1 h SER 59 Ca -0.00 -0.75 0.06 0.00 -1.23 0.00 0.00 61.79 59.87 3br1 h SER 59 Cb 0.52 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 3br1 h SER 59 CO 0.02 1.00 0.37 0.11 -0.53 0.00 0.00 176.83 177.79 3br1 h LYS 60 N -0.39 0.66 -0.07 2.24 1.79 0.42 -0.63 116.57 120.60 3br1 h LYS 60 Ca -0.03 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3br1 h LYS 60 Cb 1.03 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3br1 h LYS 60 CO 0.06 0.44 0.04 2.35 -1.08 0.00 0.00 179.45 181.26 3br1 h TRP 61 N 0.68 0.10 -0.43 -1.35 2.91 -0.47 0.95 115.95 118.34 3br1 h TRP 61 Ca 0.30 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.38 3br1 h TRP 61 Cb 0.19 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.76 3br1 h TRP 61 CO -0.08 0.15 0.12 1.96 -1.03 0.00 0.00 178.44 179.57 3br1 h GLN 62 N 0.01 0.26 -0.39 2.65 1.08 -1.03 0.98 115.11 118.68 3br1 h GLN 62 Ca 0.02 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 3br1 h GLN 62 Cb 0.09 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3br1 h GLN 62 CO -0.00 0.17 -0.11 1.49 -0.95 0.00 0.00 178.83 179.43 3br1 h GLU 63 N 0.27 0.69 -0.43 1.46 4.57 -0.95 0.18 114.58 120.36 3br1 h GLU 63 Ca 0.20 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3br1 h GLU 63 Cb 0.23 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3br1 h GLU 63 CO -0.24 0.78 -0.19 0.37 -1.18 0.00 0.00 179.01 178.56 3br1 h GLN 64 N 0.63 0.84 -0.09 1.92 4.15 -0.19 -2.78 115.11 119.59 3br1 h GLN 64 Ca 0.11 -0.33 -0.21 0.00 0.77 0.00 0.00 58.65 58.99 3br1 h GLN 64 Cb 0.55 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3br1 h GLN 64 CO 0.03 0.96 -0.81 2.35 -1.93 0.00 0.00 178.83 179.43 3br1 h TRP 65 N 0.74 0.83 -0.86 3.99 -0.00 -0.51 -0.60 115.95 119.53 3br1 h TRP 65 Ca 0.11 -0.38 0.13 0.00 -0.00 0.00 0.00 58.89 58.74 3br1 h TRP 65 Cb 0.71 -0.12 -0.09 0.00 -0.00 0.00 0.00 29.16 29.66 3br1 h TRP 65 CO 0.04 1.19 0.47 -0.22 -0.00 0.00 0.00 178.44 179.92 3br1 h LYS 66 N 0.39 0.71 0.17 2.65 3.64 -0.60 0.91 116.57 124.45 3br1 h LYS 66 Ca -0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3br1 h LYS 66 Cb 1.42 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3br1 h LYS 66 CO 0.15 0.47 -0.08 0.87 -2.27 0.00 0.00 179.45 178.59 3br1 h LYS 67 N 0.73 -0.22 -0.42 1.90 1.57 -1.42 -3.36 116.57 115.35 3br1 h LYS 67 Ca 0.44 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 3br1 h LYS 67 Cb 0.53 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3br1 h LYS 67 CO -0.31 0.21 0.17 0.93 -0.57 0.00 0.00 179.45 179.88 3br1 h GLU 68 N -0.80 0.60 0.00 3.15 4.39 -0.64 -3.09 114.58 118.19 3br1 h GLU 68 Ca -0.02 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3br1 h GLU 68 Cb 0.52 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3br1 h GLU 68 CO 0.04 0.49 -0.23 -0.56 -1.16 0.00 0.00 179.01 177.59 3br1 h GLN 69 N 0.60 0.00 -0.83 2.33 3.07 -0.97 -1.24 115.11 118.06 3br1 h GLN 69 Ca 0.15 0.00 0.18 0.00 0.09 0.00 0.00 58.65 59.06 3br1 h GLN 69 Cb 0.11 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 27.52 3br1 h GLN 69 CO -0.02 0.23 -0.15 0.82 0.09 0.00 0.00 178.83 179.81 3br1 h ILE 70 N 0.00 0.19 0.00 1.86 1.08 -1.72 -1.30 117.51 117.62 3br1 h ILE 70 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3br1 h ILE 70 Cb 0.42 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 3br1 h ILE 70 CO 0.03 0.00 0.03 0.29 -0.69 0.00 0.00 178.15 177.81 3br1 n LYS 71 N -5.50 0.00 -4.64 2.37 5.02 -0.47 -4.39 118.16 110.56 3br1 n LYS 71 Ca 0.13 0.41 -0.33 0.00 -2.02 0.00 0.00 58.31 56.50 3br1 n LYS 71 Cb 0.46 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.81 2.55 -0.02 7.82 0.00 -0.49 -5.04 121.76 123.77 3br1 s ALA 72 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3br1 s ALA 72 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3br1 s ALA 72 CO 0.00 0.09 0.21 0.87 0.00 0.00 0.00 175.76 176.93 3br1 h LYS 73 N 7.06 -0.06 -7.53 0.00 6.56 -1.83 -3.44 116.57 117.31 3br1 h LYS 73 Ca -0.29 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 58.86 3br1 h LYS 73 Cb 1.20 0.01 0.15 0.00 -0.57 0.00 0.00 32.23 33.03 3br1 h LYS 73 CO 0.56 -0.04 0.28 0.95 -2.06 0.00 0.00 179.45 179.14 3br1 s THR 74 N -1.62 1.91 0.05 -0.16 -4.23 -1.26 -4.91 115.64 105.41 3br1 s THR 74 Ca -0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 3br1 s THR 74 Cb 0.00 -2.73 -0.33 0.00 1.34 0.00 0.00 72.50 70.78 3br1 s THR 74 CO 0.03 0.00 1.05 0.78 -0.54 0.00 0.00 174.62 175.94 3br1 h ASN 75 N -1.80 0.75 -0.57 3.99 2.35 -1.91 -2.37 115.58 116.02 3br1 h ASN 75 Ca -0.48 -0.79 0.11 0.00 -0.55 0.00 0.00 56.30 54.59 3br1 h ASN 75 Cb 1.30 -0.24 -0.10 0.00 0.05 0.00 0.00 38.32 39.33 3br1 h ASN 75 CO 0.50 1.61 -0.02 -0.09 -1.65 0.00 0.00 177.43 177.79 3br1 h ARG 76 N 0.14 0.10 0.42 0.81 2.43 -1.94 0.21 114.38 116.56 3br1 h ARG 76 Ca -0.22 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3br1 h ARG 76 Cb 2.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 3br1 h ARG 76 CO 0.26 0.06 -0.21 0.93 -1.51 0.00 0.00 179.97 179.50 3br1 h GLU 77 N 0.10 -0.56 -0.97 0.20 4.39 -1.94 -2.44 114.58 113.37 3br1 h GLU 77 Ca 0.29 0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.24 3br1 h GLU 77 Cb 0.45 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 3br1 h GLU 77 CO -0.49 -0.37 0.62 0.87 -1.16 0.00 0.00 179.01 178.47 3br1 h LYS 78 N -0.58 0.50 -0.33 2.33 1.57 -0.81 -0.12 116.57 119.13 3br1 h LYS 78 Ca -0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3br1 h LYS 78 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3br1 h LYS 78 CO 0.09 0.33 0.06 0.35 -0.57 0.00 0.00 179.45 179.71 3br1 h PHE 79 N 0.52 0.57 -0.39 -1.35 3.57 -0.18 0.11 116.94 119.79 3br1 h PHE 79 Ca 0.53 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.97 3br1 h PHE 79 Cb 1.16 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3br1 h PHE 79 CO -0.00 0.61 0.22 1.88 -2.23 0.00 0.00 178.31 178.79 3br1 h TYR 80 N 0.37 0.42 0.37 0.41 0.05 -0.64 -2.02 116.97 115.93 3br1 h TYR 80 Ca 0.10 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 3br1 h TYR 80 Cb 0.34 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3br1 h TYR 80 CO 0.02 0.24 -0.18 1.25 -1.05 0.00 0.00 178.16 178.45 3br1 h LEU 81 N 0.46 -0.42 -0.88 3.88 5.85 -0.86 -0.99 115.31 122.35 3br1 h LEU 81 Ca 0.15 -0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.92 3br1 h LEU 81 Cb 0.01 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 3br1 h LEU 81 CO -0.07 -0.07 0.43 0.22 -0.34 0.00 0.00 178.44 178.60 3br1 h TYR 82 N -0.82 0.73 -0.87 1.25 3.20 -0.84 0.10 116.97 119.72 3br1 h TYR 82 Ca -0.05 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3br1 h TYR 82 Cb 0.53 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3br1 h TYR 82 CO 0.02 0.08 0.44 -0.91 -1.64 0.00 0.00 178.16 176.15 3br1 h ASN 83 N 0.53 1.12 0.80 -2.11 4.21 -1.04 -2.56 115.58 116.53 3br1 h ASN 83 Ca 0.51 -0.12 -0.25 0.00 1.21 0.00 0.00 56.30 57.65 3br1 h ASN 83 Cb 0.85 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3br1 h ASN 83 CO -0.44 0.93 -1.15 1.05 -1.29 0.00 0.00 177.43 176.53 3br1 h GLU 84 N 1.24 0.13 -0.66 0.81 4.11 0.21 -3.14 114.58 117.28 3br1 h GLU 84 Ca 0.30 -0.22 0.11 0.00 0.07 0.00 0.00 59.36 59.62 3br1 h GLU 84 Cb 0.09 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 3br1 h GLU 84 CO -0.04 1.09 0.24 -0.07 0.07 0.00 0.00 179.01 180.29 3br1 h LEU 85 N 0.04 0.22 -0.95 3.06 4.07 -0.77 0.14 115.31 121.11 3br1 h LEU 85 Ca -0.08 0.09 0.29 0.00 0.08 0.00 0.00 57.88 58.26 3br1 h LEU 85 Cb 1.88 0.08 -0.16 0.00 1.08 0.00 0.00 40.66 43.54 3br1 h LEU 85 CO 0.16 0.11 0.26 0.28 -1.08 0.00 0.00 178.44 178.18 3br1 h SER 86 N 0.41 -0.04 0.08 -0.43 0.02 -1.40 0.85 113.55 113.04 3br1 h SER 86 Ca 0.35 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.53 3br1 h SER 86 Cb 0.47 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3br1 h SER 86 CO -0.35 -0.27 -0.04 -0.07 -1.14 0.00 0.00 176.83 174.95 3br1 h LEU 87 N 0.12 -0.09 0.04 5.07 3.38 -0.84 -3.34 115.31 119.63 3br1 h LEU 87 Ca 0.64 -0.33 -0.27 0.00 0.09 0.00 0.00 57.88 58.01 3br1 h LEU 87 Cb 1.43 0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.21 3br1 h LEU 87 CO -0.76 0.30 -1.17 0.71 0.09 0.00 0.00 178.44 177.61 3br1 h THR 88 N -0.50 1.43 -3.63 0.22 1.35 -0.42 -3.47 112.91 107.89 3br1 h THR 88 Ca -0.01 -2.77 -0.54 0.00 -0.55 0.00 0.00 66.41 62.53 3br1 h THR 88 Cb 0.42 2.76 0.20 0.00 -1.73 0.00 0.00 68.15 69.80 3br1 h THR 88 CO 0.02 0.82 -0.19 1.07 -0.25 0.00 0.00 175.52 176.99 3br1 n THR 89 N -3.64 1.26 -0.26 6.82 5.66 0.28 -4.93 114.28 119.47 3br1 n THR 89 Ca -0.09 -0.26 0.07 0.00 -3.05 0.00 0.00 64.05 60.72 3br1 n THR 89 Cb 0.97 -0.86 0.19 0.00 -1.55 0.00 0.00 70.33 69.07 3br1 n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3br1 n GLN 90 N -1.98 2.88 -5.16 1.09 10.64 -1.26 -4.78 117.38 118.81 3br1 n GLN 90 Ca 0.10 -2.21 -0.32 0.00 -1.83 0.00 0.00 57.00 52.75 3br1 n GLN 90 Cb 0.51 -1.36 -0.16 0.00 -0.86 0.00 0.00 30.24 28.37 3br1 n GLN 90 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3br1 s TYR 91 N -1.11 2.56 0.00 2.61 4.12 -1.26 -4.78 117.35 119.48 3br1 s TYR 91 Ca 0.29 -0.82 0.00 0.00 0.02 0.00 0.00 57.07 56.55 3br1 s TYR 91 Cb 0.16 -1.68 0.00 0.00 -1.52 0.00 0.00 41.96 38.91 3br1 s TYR 91 CO 0.18 -0.28 0.00 0.98 0.02 0.00 0.00 175.55 176.45 3br1 n TYR 92 N 3.24 0.00 -0.17 2.71 4.19 -1.26 -4.45 117.16 121.42 3br1 n TYR 92 Ca -0.18 0.00 0.19 0.00 3.31 0.00 0.00 57.90 61.22 3br1 n TYR 92 Cb 0.53 0.00 0.57 0.00 0.49 0.00 0.00 39.34 40.92 3br1 n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 3br1 h TYR 93 N 0.00 0.36 -0.32 2.98 0.05 -1.90 0.27 116.97 118.41 3br1 h TYR 93 Ca 0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3br1 h TYR 93 Cb 0.00 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3br1 h TYR 93 CO 0.00 0.11 0.02 -1.35 -1.05 0.00 0.00 178.16 175.89 3br1 h PRO 94 N 0.29 0.48 -0.58 4.88 0.11 -1.87 -3.17 132.00 132.14 3br1 h PRO 94 Ca 0.39 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3br1 h PRO 94 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3br1 h PRO 94 CO -0.10 0.49 0.00 1.28 -0.21 0.00 0.00 178.00 179.46 3br1 n LEU 95 N -4.31 1.58 -0.12 2.35 4.77 0.93 -4.46 117.00 117.74 3br1 n LEU 95 Ca 0.01 -0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 55.11 3br1 n LEU 95 Cb 0.22 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3br1 n LEU 95 CO 0.38 0.29 0.91 1.56 -1.33 0.00 0.00 177.39 179.20 3br1 h GLN 96 N 0.97 0.55 -0.38 3.23 1.08 -1.57 0.15 115.11 119.14 3br1 h GLN 96 Ca 0.00 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3br1 h GLN 96 Cb 0.57 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3br1 h GLN 96 CO 0.06 0.53 0.23 -0.97 -0.95 0.00 0.00 178.83 177.74 3br1 h ASN 97 N 0.45 0.45 -0.38 1.46 -1.24 -1.87 -0.10 115.58 114.34 3br1 h ASN 97 Ca 0.12 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3br1 h ASN 97 Cb 0.18 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 3br1 h ASN 97 CO -0.01 0.36 0.22 0.00 -1.29 0.00 0.00 177.43 176.71 3br1 h ALA 98 N 1.11 1.62 0.46 1.57 0.00 -1.66 -1.74 119.26 120.62 3br1 h ALA 98 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3br1 h ALA 98 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3br1 h ALA 98 CO -0.03 0.32 -0.22 0.82 0.00 0.00 0.00 179.25 180.14 3br1 h ILE 99 N 0.56 0.00 -0.73 0.00 2.04 -0.22 -2.19 117.51 116.97 3br1 h ILE 99 Ca 0.15 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.78 3br1 h ILE 99 Cb 0.02 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.98 3br1 h ILE 99 CO -0.02 0.00 0.03 -0.29 0.00 0.00 0.00 178.15 177.86 3br1 h ILE 100 N -1.01 0.39 0.30 -0.67 2.10 -0.91 0.47 117.51 118.17 3br1 h ILE 100 Ca -0.06 -0.04 -0.00 0.00 1.08 0.00 0.00 64.86 65.83 3br1 h ILE 100 Cb 0.47 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 36.44 3br1 h ILE 100 CO 0.10 0.02 -0.28 -0.33 -1.08 0.00 0.00 178.15 176.59 3br1 h GLU 101 N 0.12 -0.57 -0.78 2.19 5.08 -1.41 -0.91 114.58 118.30 3br1 h GLU 101 Ca 0.40 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.90 3br1 h GLU 101 Cb 0.69 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 3br1 h GLU 101 CO -0.62 -0.38 0.41 0.35 -1.00 0.00 0.00 179.01 177.77 3br1 h PHE 102 N -0.60 0.74 0.84 4.33 3.04 -0.23 0.44 116.94 125.51 3br1 h PHE 102 Ca -0.01 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 3br1 h PHE 102 Cb 0.54 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 3br1 h PHE 102 CO -0.17 0.27 -0.49 -0.92 -2.02 0.00 0.00 178.31 174.98 3br1 h TYR 103 N 0.68 -1.30 -0.16 0.41 5.03 0.12 -0.37 116.97 121.39 3br1 h TYR 103 Ca 0.39 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.71 3br1 h TYR 103 Cb 0.41 0.46 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 3br1 h TYR 103 CO -0.09 -0.74 0.11 1.79 -1.32 0.00 0.00 178.16 177.91 3br1 h THR 104 N -1.24 0.96 0.00 1.81 1.35 -0.66 0.48 112.91 115.62 3br1 h THR 104 Ca -0.11 -0.02 -0.08 0.00 -0.55 0.00 0.00 66.41 65.64 3br1 h THR 104 Cb 0.98 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3br1 h THR 104 CO 0.13 0.01 -0.38 -0.08 -0.25 0.00 0.00 175.52 174.95 3br1 h GLU 105 N 0.07 0.00 -0.14 4.72 4.81 -0.66 -3.37 114.58 120.00 3br1 h GLU 105 Ca 0.07 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 3br1 h GLU 105 Cb 0.20 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.28 3br1 h GLU 105 CO -0.01 0.38 -0.90 0.66 -0.73 0.00 0.00 179.01 178.41 3br1 n TYR 106 N -3.23 0.46 0.54 0.92 4.01 -0.17 -4.80 117.16 114.90 3br1 n TYR 106 Ca 0.02 -1.18 0.13 0.00 -0.16 0.00 0.00 57.90 56.70 3br1 n TYR 106 Cb 0.66 -0.21 0.34 0.00 -0.31 0.00 0.00 39.34 39.83 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 1.38 0.00 0.01 -0.72 -0.00 -0.28 -3.28 116.97 114.09 3br1 h TYR 107 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.62 3br1 h TYR 107 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.27 3br1 h TYR 107 CO 0.44 0.00 -0.01 0.87 -0.00 0.00 0.00 178.16 179.46 3br1 h LYS 108 N 0.00 -0.02 -6.26 0.10 1.57 -1.87 -3.44 116.57 106.66 3br1 h LYS 108 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3br1 h LYS 108 Cb 0.79 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.12 3br1 h LYS 108 CO 0.00 0.52 1.13 2.41 -0.57 0.00 0.00 179.45 182.94 3br1 n THR 109 N -4.84 0.58 -0.01 -0.16 -1.04 -1.23 -4.87 114.28 102.70 3br1 n THR 109 Ca -0.09 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.69 3br1 n THR 109 Cb 0.27 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 3br1 n THR 109 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3br1 h ASN 110 N 9.54 0.12 0.21 8.00 2.35 -1.89 -1.68 115.58 132.23 3br1 h ASN 110 Ca -0.48 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.19 3br1 h ASN 110 Cb 1.27 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 3br1 h ASN 110 CO 0.95 0.18 -0.35 0.77 -1.65 0.00 0.00 177.43 177.33 3br1 h SER 111 N 0.05 -0.99 0.45 5.81 4.64 -1.96 -1.03 113.55 120.52 3br1 h SER 111 Ca 0.03 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3br1 h SER 111 Cb 0.08 0.36 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3br1 h SER 111 CO -0.01 -0.46 -0.26 0.40 -0.87 0.00 0.00 176.83 175.64 3br1 h ILE 112 N -0.64 0.00 -1.22 0.95 2.04 -1.87 -2.76 117.51 114.02 3br1 h ILE 112 Ca 0.01 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.29 3br1 h ILE 112 Cb 0.63 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.56 3br1 h ILE 112 CO -0.15 0.00 0.75 -1.13 0.00 0.00 0.00 178.15 177.62 3br1 h ASN 113 N -0.66 0.29 0.89 1.72 -1.24 -1.29 0.77 115.58 116.06 3br1 h ASN 113 Ca -0.06 0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 3br1 h ASN 113 Cb 0.52 0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.74 3br1 h ASN 113 CO 0.07 -0.24 -0.43 -0.33 -1.29 0.00 0.00 177.43 175.21 3br1 h GLU 114 N 0.09 -1.16 0.00 6.67 3.07 -0.96 0.14 114.58 122.44 3br1 h GLU 114 Ca 0.82 0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 59.72 3br1 h GLU 114 Cb 2.41 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 30.58 3br1 h GLU 114 CO -0.52 -0.77 -0.18 1.57 -1.40 0.00 0.00 179.01 177.71 3br1 h LYS 115 N -1.32 0.00 -0.32 2.33 2.10 -0.77 0.29 116.57 118.88 3br1 h LYS 115 Ca -0.12 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.35 3br1 h LYS 115 Cb 0.92 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3br1 h LYS 115 CO 0.20 0.18 -0.49 1.98 -2.00 0.00 0.00 179.45 179.32 3br1 h MET 116 N 0.00 0.88 -0.00 0.07 4.05 0.52 -1.94 114.93 118.51 3br1 h MET 116 Ca -0.00 -0.52 -0.17 0.00 -0.28 0.00 0.00 59.70 58.72 3br1 h MET 116 Cb 0.65 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 3br1 h MET 116 CO 0.02 1.17 -0.78 -0.91 0.23 0.00 0.00 176.91 176.64 3br1 h ASN 117 N 0.69 0.09 -0.41 1.39 2.35 -0.25 -2.82 115.58 116.62 3br1 h ASN 117 Ca 0.03 -0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3br1 h ASN 117 Cb 1.09 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.35 3br1 h ASN 117 CO 0.11 0.84 -0.16 0.11 -1.65 0.00 0.00 177.43 176.68 3br1 h LYS 118 N 0.04 -0.07 0.33 0.81 6.56 -0.27 -2.13 116.57 121.85 3br1 h LYS 118 Ca -0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 3br1 h LYS 118 Cb 1.37 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.04 3br1 h LYS 118 CO 0.11 -0.04 -0.21 -0.07 -2.06 0.00 0.00 179.45 177.18 3br1 h LEU 119 N -0.07 -0.52 -2.08 2.94 3.38 -1.31 -2.92 115.31 114.73 3br1 h LEU 119 Ca 0.20 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.30 3br1 h LEU 119 Cb 0.38 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3br1 h LEU 119 CO -0.46 -0.33 0.33 -0.33 0.09 0.00 0.00 178.44 177.73 3br1 h GLU 120 N -0.52 0.00 -0.06 1.13 5.08 -1.22 0.88 114.58 119.86 3br1 h GLU 120 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3br1 h GLU 120 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3br1 h GLU 120 CO 0.03 0.00 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.09 3br1 h ASN 121 N 0.00 0.15 -0.47 1.42 2.35 -1.21 -2.19 115.58 115.63 3br1 h ASN 121 Ca 0.16 -0.45 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3br1 h ASN 121 Cb 0.82 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 3br1 h ASN 121 CO -0.00 0.57 0.25 0.50 -1.65 0.00 0.00 177.43 177.10 3br1 h LYS 122 N -0.27 0.49 -0.53 0.81 3.64 -0.84 0.26 116.57 120.13 3br1 h LYS 122 Ca 0.01 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3br1 h LYS 122 Cb 0.52 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 3br1 h LYS 122 CO 0.01 0.33 0.05 -0.92 -2.27 0.00 0.00 179.45 176.65 3br1 h TYR 123 N 0.51 0.07 0.14 1.91 3.20 -0.95 -3.10 116.97 118.75 3br1 h TYR 123 Ca 0.20 0.04 -0.30 0.00 3.14 0.00 0.00 58.73 61.80 3br1 h TYR 123 Cb 0.07 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3br1 h TYR 123 CO -0.09 -0.08 -1.43 0.82 -1.64 0.00 0.00 178.16 175.74 3br1 h ILE 124 N 0.18 1.28 -1.34 1.81 2.04 -0.91 -3.36 117.51 117.22 3br1 h ILE 124 Ca 0.27 -2.87 0.39 0.00 1.00 0.00 0.00 64.86 63.66 3br1 h ILE 124 Cb 0.41 2.86 -0.05 0.00 -0.74 0.00 0.00 36.82 39.30 3br1 h ILE 124 CO -0.40 0.85 1.01 -0.78 0.00 0.00 0.00 178.15 178.82 3br1 h ASP 125 N 0.08 0.00 -0.91 1.72 3.58 -0.41 0.76 116.42 121.25 3br1 h ASP 125 Ca -0.21 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.28 3br1 h ASP 125 Cb 2.02 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.02 3br1 h ASP 125 CO 0.19 0.00 0.59 0.00 -2.88 0.00 0.00 179.24 177.14 3br1 h ALA 126 N 1.23 1.21 -0.08 -0.78 0.00 -1.70 0.25 119.26 119.38 3br1 h ALA 126 Ca 0.64 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.44 3br1 h ALA 126 Cb 2.66 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3br1 h ALA 126 CO -0.01 0.44 -0.23 1.88 0.00 0.00 0.00 179.25 181.33 3br1 h TYR 127 N 1.14 0.40 -0.60 0.00 0.05 0.27 -2.57 116.97 115.66 3br1 h TYR 127 Ca 0.37 -0.16 0.12 0.00 0.05 0.00 0.00 58.73 59.11 3br1 h TYR 127 Cb 0.02 -0.07 -0.11 0.00 1.01 0.00 0.00 36.73 37.58 3br1 h TYR 127 CO -0.01 0.85 -0.17 1.25 -1.05 0.00 0.00 178.16 179.02 3br1 h HIS 128 N -0.17 -0.38 -0.67 4.88 2.76 -1.10 0.22 115.15 120.68 3br1 h HIS 128 Ca -0.01 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 3br1 h HIS 128 Cb 0.85 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 30.04 3br1 h HIS 128 CO 0.12 -0.28 0.27 0.28 -1.30 0.00 0.00 177.93 177.02 3br1 h VAL 129 N -0.02 1.24 0.25 5.26 2.07 -0.55 0.21 116.25 124.70 3br1 h VAL 129 Ca 0.28 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3br1 h VAL 129 Cb 0.46 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3br1 h VAL 129 CO -0.63 0.30 -0.13 0.40 0.02 0.00 0.00 177.57 177.54 3br1 h ILE 130 N 0.95 0.74 -0.63 4.57 2.04 -0.77 -1.18 117.51 123.23 3br1 h ILE 130 Ca 0.22 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 3br1 h ILE 130 Cb 0.21 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3br1 h ILE 130 CO -0.02 0.00 0.20 -0.26 0.00 0.00 0.00 178.15 178.07 3br1 h PHE 131 N -0.35 1.01 0.06 1.37 0.04 -0.42 -2.29 116.94 116.35 3br1 h PHE 131 Ca -0.03 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3br1 h PHE 131 Cb 0.27 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3br1 h PHE 131 CO -0.07 0.82 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.22 3br1 h LYS 132 N 0.90 -0.07 0.00 1.51 3.64 -0.49 0.18 116.57 122.23 3br1 h LYS 132 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3br1 h LYS 132 Cb 0.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3br1 h LYS 132 CO -0.01 -0.05 0.10 0.39 -2.27 0.00 0.00 179.45 177.62 3br1 n GLU 133 N -2.30 0.09 -0.04 1.90 1.02 -0.46 0.62 120.64 121.48 3br1 n GLU 133 Ca -0.01 0.57 -0.07 0.00 -0.02 0.00 0.00 57.16 57.63 3br1 n GLU 133 Cb 0.03 -1.90 -0.14 0.00 -0.02 0.00 0.00 31.44 29.40 3br1 n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3br1 n GLY 134 N -1.32 -1.03 0.36 0.62 0.00 -0.86 -3.42 105.19 99.54 3br1 n GLY 134 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3br1 n GLY 134 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3br1 h ASN 135 N 0.00 -0.87 1.02 1.61 -0.73 0.33 -2.03 115.58 114.91 3br1 h ASN 135 Ca -0.35 0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.88 3br1 h ASN 135 Cb 2.00 0.28 0.00 0.00 0.27 0.00 0.00 38.32 40.88 3br1 h ASN 135 CO 0.05 -0.48 0.00 0.00 -0.37 0.00 0.00 177.43 176.63 3br1 n LEU 136 N -5.45 0.56 -0.69 0.34 -0.00 -1.02 -1.88 117.00 108.86 3br1 n LEU 136 Ca -0.10 0.59 0.04 0.00 -0.00 0.00 0.00 56.01 56.54 3br1 n LEU 136 Cb 0.35 -0.46 0.13 0.00 -0.00 0.00 0.00 43.42 43.44 3br1 n LEU 136 CO 0.30 -0.31 0.56 0.59 -0.00 0.00 0.00 177.39 178.53 3br1 n ASN 137 N -2.07 1.92 -1.78 1.45 4.13 -0.92 -4.95 115.26 113.04 3br1 n ASN 137 Ca 0.04 -2.12 -0.14 0.00 1.68 0.00 0.00 54.58 54.04 3br1 n ASN 137 Cb 0.31 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.69 -0.14 0.03 7.41 0.00 -0.79 -4.91 105.19 107.47 3br1 n GLY 138 Ca 0.10 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3br1 n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3br1 n GLU 139 N -2.57 0.49 -3.91 1.61 1.02 -0.90 -5.04 120.64 111.34 3br1 n GLU 139 Ca -0.12 -0.08 -0.02 0.00 -0.02 0.00 0.00 57.16 56.93 3br1 n GLU 139 Cb 0.60 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3br1 n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 3br1 s TRP 140 N -3.36 0.06 -0.18 -0.32 -2.14 -1.26 -4.98 118.94 106.77 3br1 s TRP 140 Ca -0.02 -0.40 -0.03 0.00 2.66 0.00 0.00 56.10 58.31 3br1 s TRP 140 Cb 0.14 0.67 0.06 0.00 -3.10 0.00 0.00 33.47 31.23 3br1 s TRP 140 CO 0.86 -0.77 0.05 -1.54 -2.66 0.00 0.00 176.95 172.89 3br1 s SER 141 N -3.51 2.71 -0.09 -2.66 1.04 -1.23 -4.67 113.70 105.29 3br1 s SER 141 Ca 0.24 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3br1 s SER 141 Cb -0.02 -0.50 0.01 0.00 0.10 0.00 0.00 66.02 65.61 3br1 s SER 141 CO 0.04 -0.31 -0.14 -0.63 0.98 0.00 0.00 173.24 173.18 3br1 s ILE 142 N 1.93 1.34 0.00 -1.02 1.09 -1.26 -4.26 121.20 119.02 3br1 s ILE 142 Ca 0.00 -0.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.98 3br1 s ILE 142 Cb -0.17 -1.22 0.00 0.00 -1.06 0.00 0.00 42.46 40.01 3br1 s ILE 142 CO -0.08 0.40 0.59 0.59 -0.10 0.00 0.00 174.94 176.34 3br1 n ASN 143 N 3.99 0.00 -4.31 3.58 3.02 -1.26 -4.37 115.26 115.91 3br1 n ASN 143 Ca -0.20 0.73 -0.46 0.00 -0.03 0.00 0.00 54.58 54.61 3br1 n ASN 143 Cb 0.52 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 3br1 n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3br1 s ASP 144 N -2.20 6.71 0.21 6.41 2.15 -1.26 -4.92 116.67 123.77 3br1 s ASP 144 Ca 0.00 -2.82 -0.17 0.00 0.43 0.00 0.00 52.55 49.99 3br1 s ASP 144 Cb 0.00 -2.18 0.21 0.00 -0.30 0.00 0.00 42.92 40.65 3br1 s ASP 144 CO 0.00 -0.52 1.59 0.58 -0.17 0.00 0.00 175.17 176.65 3br1 h VAL 145 N 4.68 0.19 -0.80 1.11 2.07 -2.00 -2.30 116.25 119.21 3br1 h VAL 145 Ca 0.11 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.90 3br1 h VAL 145 Cb 1.01 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 3br1 h VAL 145 CO 0.78 0.00 0.20 -3.20 0.02 0.00 0.00 177.57 175.37 3br1 n ASN 146 N -5.46 0.08 -0.01 0.57 5.15 -1.26 -0.12 115.26 114.20 3br1 n ASN 146 Ca 0.07 1.34 -0.13 0.00 -0.60 0.00 0.00 54.58 55.26 3br1 n ASN 146 Cb 0.37 -0.56 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 3br1 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3br1 h ALA 147 N 1.59 -0.05 -0.66 5.20 0.00 -1.85 -2.74 119.26 120.76 3br1 h ALA 147 Ca 0.57 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3br1 h ALA 147 Cb 1.36 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3br1 h ALA 147 CO -0.69 -0.21 0.43 0.28 0.00 0.00 0.00 179.25 179.06 3br1 h VAL 148 N -0.69 1.18 -0.51 0.00 2.07 -0.76 0.20 116.25 117.74 3br1 h VAL 148 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3br1 h VAL 148 Cb 0.61 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3br1 h VAL 148 CO 0.01 0.17 0.20 0.28 0.02 0.00 0.00 177.57 178.25 3br1 h SER 149 N 0.90 0.24 -0.13 0.57 0.02 -0.60 0.45 113.55 114.99 3br1 h SER 149 Ca 0.24 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3br1 h SER 149 Cb -0.08 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3br1 h SER 149 CO -0.05 0.16 -0.14 0.50 -1.14 0.00 0.00 176.83 176.16 3br1 h LYS 150 N 0.40 0.50 -0.02 3.45 3.64 -1.10 -0.68 116.57 122.76 3br1 h LYS 150 Ca 0.24 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3br1 h LYS 150 Cb 0.23 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3br1 h LYS 150 CO -0.22 0.63 -0.01 0.82 -2.27 0.00 0.00 179.45 178.41 3br1 h ILE 151 N 0.46 1.30 0.38 2.00 2.04 -0.06 -2.67 117.51 120.95 3br1 h ILE 151 Ca 0.08 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3br1 h ILE 151 Cb 0.52 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3br1 h ILE 151 CO 0.03 0.24 -0.51 0.00 0.00 0.00 0.00 178.15 177.91 3br1 h ALA 152 N 0.64 -1.10 -0.48 1.87 0.00 0.09 0.13 119.26 120.41 3br1 h ALA 152 Ca 0.01 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3br1 h ALA 152 Cb 0.39 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3br1 h ALA 152 CO 0.00 -1.16 -0.55 0.00 0.00 0.00 0.00 179.25 177.54 3br1 h ALA 153 N -0.81 -0.71 -0.15 0.00 0.00 -1.21 0.30 119.26 116.68 3br1 h ALA 153 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3br1 h ALA 153 Cb 0.83 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 3br1 h ALA 153 CO -0.13 -1.02 -0.13 -0.91 0.00 0.00 0.00 179.25 177.06 3br1 h ASN 154 N -0.35 0.22 0.08 0.00 2.35 -1.30 0.22 115.58 116.79 3br1 h ASN 154 Ca 0.09 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3br1 h ASN 154 Cb 0.58 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3br1 h ASN 154 CO -0.63 0.37 -0.04 0.00 -1.65 0.00 0.00 177.43 175.48 3br1 h ALA 155 N 1.66 -0.11 -0.17 -0.83 0.00 0.31 -2.08 119.26 118.04 3br1 h ALA 155 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3br1 h ALA 155 Cb 0.36 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3br1 h ALA 155 CO 0.02 -0.34 -0.22 0.28 0.00 0.00 0.00 179.25 178.99 3br1 h VAL 156 N -0.55 0.46 -0.81 0.00 2.07 -0.15 -0.62 116.25 116.64 3br1 h VAL 156 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 3br1 h VAL 156 Cb 0.46 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3br1 h VAL 156 CO 0.02 0.00 0.55 -1.13 0.02 0.00 0.00 177.57 177.03 3br1 h ASN 157 N -0.26 0.33 0.07 0.57 -0.00 -0.61 0.19 115.58 115.87 3br1 h ASN 157 Ca 0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 3br1 h ASN 157 Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.71 3br1 h ASN 157 CO -0.32 0.15 -0.03 1.23 -0.00 0.00 0.00 177.43 178.46 3br1 h GLY 158 N 0.34 -0.09 0.48 1.57 0.00 -0.54 -0.86 103.07 103.96 3br1 h GLY 158 Ca 0.41 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.89 3br1 h GLY 158 CO -0.13 -0.03 0.61 -2.22 0.00 0.00 0.00 176.54 174.77 3br1 h ILE 159 N -0.54 0.92 0.67 2.60 1.08 0.26 -0.07 117.51 122.42 3br1 h ILE 159 Ca -0.01 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3br1 h ILE 159 Cb 0.47 -0.13 0.01 0.00 -3.07 0.00 0.00 36.82 34.09 3br1 h ILE 159 CO 0.02 0.18 -0.32 0.58 -0.69 0.00 0.00 178.15 177.91 3br1 h VAL 160 N 0.96 0.00 0.00 1.67 2.07 -0.69 -3.26 116.25 117.01 3br1 h VAL 160 Ca 0.48 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3br1 h VAL 160 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3br1 h VAL 160 CO -0.26 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.04 3br1 h THR 161 N -1.10 0.00 -0.44 2.57 1.35 -0.86 -3.10 112.91 111.33 3br1 h THR 161 Ca -0.09 -0.46 -0.09 0.00 -0.55 0.00 0.00 66.41 65.22 3br1 h THR 161 Cb 0.69 1.40 -0.06 0.00 -1.73 0.00 0.00 68.15 68.46 3br1 h THR 161 CO 0.15 0.00 0.07 0.49 -0.25 0.00 0.00 175.52 175.98 3br1 n PHE 162 N -2.32 1.50 -0.70 4.73 3.01 -0.06 -4.23 117.46 119.40 3br1 n PHE 162 Ca 0.05 -1.08 0.00 0.00 1.01 0.00 0.00 57.45 57.42 3br1 n PHE 162 Cb 0.39 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3br1 n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3br1 n THR 163 N -0.42 0.29 -0.84 4.37 -2.24 -1.17 -4.99 114.28 109.27 3br1 n THR 163 Ca 0.30 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3br1 n THR 163 Cb 1.09 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 70.11 3br1 n THR 163 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3br1 n HIS 164 N -0.14 0.64 0.00 4.78 -0.00 -1.24 -3.25 115.22 116.00 3br1 n HIS 164 Ca 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 57.72 56.93 3br1 n HIS 164 Cb 0.41 -1.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.14 3br1 n HIS 164 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3br1 n GLU 165 N 7.81 0.00 -2.12 -0.41 1.02 -1.26 -5.16 120.64 120.52 3br1 n GLU 165 Ca 0.47 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 3br1 n GLU 165 Cb 0.42 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.96 3br1 n GLU 165 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3br1 s GLN 166 N -0.71 1.62 0.43 3.49 0.00 -1.20 -4.99 119.66 118.30 3br1 s GLN 166 Ca 0.00 -0.36 -0.25 0.00 -0.00 0.00 0.00 55.36 54.75 3br1 s GLN 166 Cb 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 33.01 30.87 3br1 s GLN 166 CO 0.00 -1.68 1.32 0.54 0.00 0.00 0.00 175.29 175.46 3br1 s ASN 167 N -4.67 6.10 0.39 12.60 4.22 -1.26 -4.81 114.94 127.51 3br1 s ASN 167 Ca 0.65 2.68 0.11 0.00 -2.14 0.00 0.00 52.86 54.16 3br1 s ASN 167 Cb -0.08 -2.64 0.89 0.00 1.28 0.00 0.00 41.25 40.70 3br1 s ASN 167 CO 0.48 -0.99 1.93 -0.29 -2.04 0.00 0.00 177.10 176.19 3br1 h ILE 168 N 2.27 0.90 -0.88 0.54 6.09 -1.98 -1.56 117.51 122.88 3br1 h ILE 168 Ca -0.50 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 62.77 3br1 h ILE 168 Cb 1.26 0.26 -0.04 0.00 0.47 0.00 0.00 36.82 38.76 3br1 h ILE 168 CO 0.61 0.11 0.46 0.78 -3.07 0.00 0.00 178.15 177.05 3br1 h ASN 169 N 0.59 1.12 0.38 2.19 2.35 -1.98 0.11 115.58 120.34 3br1 h ASN 169 Ca 0.35 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 3br1 h ASN 169 Cb 0.57 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3br1 h ASN 169 CO -0.13 0.92 -0.67 -0.08 -1.65 0.00 0.00 177.43 175.82 3br1 h GLU 170 N 1.25 0.26 -0.49 0.81 4.22 -1.66 -1.03 114.58 117.94 3br1 h GLU 170 Ca 0.31 -0.20 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 3br1 h GLU 170 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3br1 h GLU 170 CO -0.05 0.84 0.15 0.00 -2.18 0.00 0.00 179.01 177.78 3br1 h ARG 171 N 0.19 0.77 0.00 1.92 3.08 -1.11 -2.35 114.38 116.87 3br1 h ARG 171 Ca -0.02 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3br1 h ARG 171 Cb 1.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3br1 h ARG 171 CO 0.11 0.72 -0.23 0.82 -1.07 0.00 0.00 179.97 180.32 3br1 h ILE 172 N 0.67 0.93 -0.64 2.04 2.04 -0.63 0.20 117.51 122.12 3br1 h ILE 172 Ca 0.16 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3br1 h ILE 172 Cb 0.28 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3br1 h ILE 172 CO -0.00 0.22 0.33 0.11 0.00 0.00 0.00 178.15 178.81 3br1 h LYS 173 N 0.00 0.91 -0.10 2.37 1.57 -0.79 -1.55 116.57 118.98 3br1 h LYS 173 Ca -0.00 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3br1 h LYS 173 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3br1 h LYS 173 CO 0.03 0.71 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.22 3br1 h LEU 174 N 0.88 0.46 -1.66 2.94 3.38 -0.71 -2.08 115.31 118.52 3br1 h LEU 174 Ca 0.22 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3br1 h LEU 174 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3br1 h LEU 174 CO -0.03 0.99 0.10 -0.03 0.09 0.00 0.00 178.44 179.56 3br1 h MET 175 N -0.04 0.33 0.03 1.13 4.05 -0.65 0.20 114.93 119.98 3br1 h MET 175 Ca -0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3br1 h MET 175 Cb 0.95 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3br1 h MET 175 CO 0.07 0.27 -0.02 -0.91 0.23 0.00 0.00 176.91 176.55 3br1 h ASN 176 N 0.33 -0.04 -0.64 1.39 2.35 -1.31 -0.83 115.58 116.83 3br1 h ASN 176 Ca 0.09 -0.52 0.09 0.00 -0.55 0.00 0.00 56.30 55.40 3br1 h ASN 176 Cb 0.06 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 3br1 h ASN 176 CO -0.01 0.52 0.28 0.50 -1.65 0.00 0.00 177.43 177.06 3br1 h LYS 177 N -0.61 0.47 0.38 0.81 1.63 -0.75 0.38 116.57 118.88 3br1 h LYS 177 Ca -0.00 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3br1 h LYS 177 Cb 0.56 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3br1 h LYS 177 CO 0.01 0.31 -0.27 0.35 -3.45 0.00 0.00 179.45 176.40 3br1 h PHE 178 N 0.48 -0.73 -1.16 1.91 3.57 -0.69 -1.41 116.94 118.92 3br1 h PHE 178 Ca 0.32 -0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.14 3br1 h PHE 178 Cb 0.36 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 3br1 h PHE 178 CO -0.14 -0.39 0.81 1.03 -2.23 0.00 0.00 178.31 177.39 3br1 h SER 179 N -0.62 0.13 0.53 0.41 0.87 -0.18 0.22 113.55 114.91 3br1 h SER 179 Ca -0.05 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3br1 h SER 179 Cb 0.51 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3br1 h SER 179 CO 0.03 0.01 -0.25 -0.61 -0.53 0.00 0.00 176.83 175.48 3br1 h GLN 180 N 0.11 -0.68 -0.50 2.24 4.15 -0.11 -2.80 115.11 117.52 3br1 h GLN 180 Ca 0.58 0.05 0.10 0.00 0.77 0.00 0.00 58.65 60.15 3br1 h GLN 180 Cb 2.08 0.15 -0.10 0.00 0.21 0.00 0.00 27.48 29.83 3br1 h GLN 180 CO -0.10 -0.42 -0.16 0.82 -1.93 0.00 0.00 178.83 177.03 3br1 h ILE 181 N -1.15 0.43 -0.93 2.39 2.04 0.45 0.13 117.51 120.87 3br1 h ILE 181 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3br1 h ILE 181 Cb 0.57 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3br1 h ILE 181 CO 0.12 0.00 0.58 0.15 0.00 0.00 0.00 178.15 179.00 3br1 h PHE 182 N -0.05 1.20 -0.09 1.37 3.04 -0.96 0.42 116.94 121.88 3br1 h PHE 182 Ca 0.24 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 3br1 h PHE 182 Cb 0.41 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.53 3br1 h PHE 182 CO -0.46 0.78 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.36 3br1 h LEU 183 N 1.27 0.32 -2.53 0.59 4.07 -1.08 -2.54 115.31 115.41 3br1 h LEU 183 Ca 0.34 -0.56 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 3br1 h LEU 183 Cb -0.09 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 3br1 h LEU 183 CO -0.07 0.82 -0.02 -1.13 -1.08 0.00 0.00 178.44 176.97 3br1 h ASN 184 N -0.16 0.00 -0.64 -0.43 -0.73 -0.81 -1.18 115.58 111.62 3br1 h ASN 184 Ca 0.00 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 3br1 h ASN 184 Cb 0.77 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 3br1 h ASN 184 CO 0.04 0.02 0.05 1.23 -0.37 0.00 0.00 177.43 178.40 3br1 h GLY 185 N 0.39 1.18 -1.47 1.57 0.00 0.25 -3.43 103.07 101.56 3br1 h GLY 185 Ca -0.00 -0.82 -0.51 0.00 0.00 0.00 0.00 47.33 46.00 3br1 h GLY 185 CO 0.00 0.76 0.36 1.08 0.00 0.00 0.00 176.54 178.74 3br1 s LEU 186 N -9.39 3.22 0.00 3.11 1.43 -0.45 -5.08 118.68 111.52 3br1 s LEU 186 Ca -0.12 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3br1 s LEU 186 Cb 0.14 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.84 3br1 s LEU 186 CO 0.85 -1.60 0.00 -0.24 0.23 0.00 0.00 176.35 175.59