#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b s SER 2 N 0.00 6.20 -0.16 1.61 1.04 -1.26 -4.88 113.70 116.25 1x3b s SER 2 Ca 0.00 -1.25 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1x3b s SER 2 Cb 0.00 -2.29 -0.06 0.00 0.10 0.00 0.00 66.02 63.77 1x3b s SER 2 CO 0.00 -1.00 -0.13 -1.20 0.98 0.00 0.00 173.24 171.88 1x3b n SER 3 N 6.19 1.82 0.00 7.02 7.64 -1.26 -5.05 113.62 129.99 1x3b n SER 3 Ca -0.09 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1x3b n SER 3 Cb 0.43 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1x3b n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3b n GLY 4 N 1.58 1.61 3.63 0.23 0.00 -1.26 -5.19 105.19 105.80 1x3b n GLY 4 Ca -0.12 0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1x3b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b s SER 5 N 0.00 -0.11 -0.11 1.61 0.01 -1.26 -5.07 113.70 108.77 1x3b s SER 5 Ca 0.00 0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 1x3b s SER 5 Cb 0.00 0.13 -0.11 0.00 0.21 0.00 0.00 66.02 66.25 1x3b s SER 5 CO 0.00 -0.08 0.36 -1.28 0.41 0.00 0.00 173.24 172.65 1x3b h SER 6 N 2.48 -0.03 -3.36 2.44 0.87 -2.07 -3.47 113.55 110.41 1x3b h SER 6 Ca -0.15 -0.39 -0.46 0.00 -1.23 0.00 0.00 61.79 59.57 1x3b h SER 6 Cb 1.19 0.01 0.12 0.00 -0.44 0.00 0.00 62.40 63.27 1x3b h SER 6 CO 0.22 0.66 0.28 -0.83 -0.53 0.00 0.00 176.83 176.63 1x3b s GLY 7 N -3.76 1.75 0.00 5.77 0.00 -1.26 -5.12 107.32 104.71 1x3b s GLY 7 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1x3b s GLY 7 CO 0.29 -0.69 0.00 -0.13 0.00 0.00 0.00 173.10 172.57 1x3b n MET 8 N -3.28 2.05 0.00 2.90 0.00 -1.26 -5.14 117.12 112.38 1x3b n MET 8 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 1x3b n MET 8 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 1x3b n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x3b n GLY 9 N 2.57 0.36 3.57 -5.12 0.00 -1.26 -5.02 105.19 100.29 1x3b n GLY 9 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 1x3b n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x3b s THR 10 N 2.16 0.00 0.25 2.61 -4.23 -1.26 -4.43 115.64 110.73 1x3b s THR 10 Ca 0.00 -1.45 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1x3b s THR 10 Cb 0.00 -2.60 0.34 0.00 1.34 0.00 0.00 72.50 71.58 1x3b s THR 10 CO 0.00 0.00 1.56 1.62 -0.54 0.00 0.00 174.62 177.26 1x3b h VAL 11 N 2.12 0.03 0.67 2.29 3.04 -1.87 1.62 116.25 124.15 1x3b h VAL 11 Ca -0.29 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1x3b h VAL 11 Cb 1.24 0.03 0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1x3b h VAL 11 CO 0.39 0.00 -0.32 0.24 -1.01 0.00 0.00 177.57 176.86 1x3b h MET 12 N -0.01 -0.87 -0.86 4.17 2.86 -1.96 -2.91 114.93 115.36 1x3b h MET 12 Ca 0.40 0.06 0.22 0.00 -2.06 0.00 0.00 59.70 58.32 1x3b h MET 12 Cb 0.65 0.20 -0.13 0.00 0.06 0.00 0.00 31.60 32.38 1x3b h MET 12 CO -0.98 -0.58 0.27 0.22 1.06 0.00 0.00 176.91 176.91 1x3b h ASP 13 N -0.95 0.11 -1.10 1.22 1.82 -1.52 1.12 116.42 117.12 1x3b h ASP 13 Ca -0.09 0.17 0.31 0.00 -0.39 0.00 0.00 57.03 57.03 1x3b h ASP 13 Cb 0.69 0.21 -0.10 0.00 0.68 0.00 0.00 39.33 40.81 1x3b h ASP 13 CO 0.15 -0.09 0.71 0.58 -1.61 0.00 0.00 179.24 178.99 1x3b h VAL 14 N 0.28 0.43 -0.03 2.25 2.07 0.25 1.64 116.25 123.13 1x3b h VAL 14 Ca 0.53 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.75 1x3b h VAL 14 Cb 1.02 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1x3b h VAL 14 CO -0.59 0.06 -0.81 -0.07 0.02 0.00 0.00 177.57 176.18 1x3b h LEU 15 N 0.31 0.40 -1.01 2.57 3.38 0.15 -3.03 115.31 118.08 1x3b h LEU 15 Ca 0.65 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1x3b h LEU 15 Cb 1.76 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 1x3b h LEU 15 CO -0.32 1.05 0.06 0.11 0.09 0.00 0.00 178.44 179.43 1x3b h LYS 16 N 0.20 0.77 0.57 1.13 1.57 0.29 -3.04 116.57 118.07 1x3b h LYS 16 Ca -0.04 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1x3b h LYS 16 Cb 1.40 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.61 1x3b h LYS 16 CO 0.13 0.74 -0.27 0.78 -0.57 0.00 0.00 179.45 180.26 1x3b h GLY 17 N 0.95 -0.80 -4.31 3.86 0.00 -0.53 -3.42 103.07 98.83 1x3b h GLY 17 Ca 0.15 0.30 -0.53 0.00 0.00 0.00 0.00 47.33 47.26 1x3b h GLY 17 CO 0.01 -0.29 0.64 -0.35 0.00 0.00 0.00 176.54 176.54 1x3b s ASP 18 N -4.53 6.94 0.10 0.19 -1.08 -1.15 -4.92 116.67 112.23 1x3b s ASP 18 Ca -0.17 2.31 -0.04 0.00 -0.52 0.00 0.00 52.55 54.13 1x3b s ASP 18 Cb 0.04 -2.60 -0.18 0.00 -1.46 0.00 0.00 42.92 38.71 1x3b s ASP 18 CO 0.62 -0.51 1.23 0.78 0.52 0.00 0.00 175.17 177.80 1x3b h ASN 19 N 5.76 0.48 -0.92 -0.34 2.35 -1.81 -3.25 115.58 117.84 1x3b h ASN 19 Ca -0.44 -0.44 0.26 0.00 -0.55 0.00 0.00 56.30 55.13 1x3b h ASN 19 Cb 1.21 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 39.29 1x3b h ASN 19 CO 0.79 1.28 0.35 0.03 -1.65 0.00 0.00 177.43 178.23 1x3b h ARG 20 N 0.15 0.25 -1.86 0.81 3.08 -1.91 0.28 114.38 115.17 1x3b h ARG 20 Ca -0.11 -0.01 -0.73 0.00 0.07 0.00 0.00 59.98 59.20 1x3b h ARG 20 Cb 1.77 -0.06 -0.30 0.00 0.08 0.00 0.00 29.97 31.46 1x3b h ARG 20 CO 0.18 0.16 0.73 1.19 -1.07 0.00 0.00 179.97 181.16 1x3b n PHE 21 N -5.16 3.07 -0.01 3.04 3.72 -1.23 -4.14 117.46 116.75 1x3b n PHE 21 Ca 0.25 -2.49 -0.00 0.00 -0.05 0.00 0.00 57.45 55.16 1x3b n PHE 21 Cb 0.78 -1.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1x3b n PHE 21 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x3b h SER 22 N 2.88 0.00 -1.20 4.37 0.02 -0.57 -3.18 113.55 115.87 1x3b h SER 22 Ca 0.52 0.00 0.44 0.00 -0.84 0.00 0.00 61.79 61.91 1x3b h SER 22 Cb 0.22 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.61 1x3b h SER 22 CO 1.34 0.13 0.73 0.24 -1.14 0.00 0.00 176.83 178.12 1x3b h MET 23 N -0.25 0.03 0.23 3.45 2.86 -1.84 1.01 114.93 120.42 1x3b h MET 23 Ca 0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1x3b h MET 23 Cb 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1x3b h MET 23 CO 0.00 0.02 -0.11 1.25 1.06 0.00 0.00 176.91 179.13 1x3b h LEU 24 N 0.03 -0.26 -0.33 1.22 5.85 -1.90 -2.74 115.31 117.18 1x3b h LEU 24 Ca 0.86 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.62 1x3b h LEU 24 Cb 2.51 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 43.53 1x3b h LEU 24 CO -0.59 -0.17 -0.54 0.58 -0.34 0.00 0.00 178.44 177.37 1x3b h VAL 25 N -0.33 0.01 -1.00 1.05 2.07 0.11 0.36 116.25 118.52 1x3b h VAL 25 Ca -0.03 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.83 1x3b h VAL 25 Cb 0.25 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 29.85 1x3b h VAL 25 CO 0.05 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.90 1x3b h ALA 26 N -0.08 1.62 0.62 1.67 0.00 -1.30 0.59 119.26 122.37 1x3b h ALA 26 Ca 0.07 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1x3b h ALA 26 Cb 0.62 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x3b h ALA 26 CO -0.55 -0.74 -0.47 0.00 0.00 0.00 0.00 179.25 177.48 1x3b h ALA 27 N 2.00 -1.20 -0.25 0.00 0.00 -0.01 0.45 119.26 120.26 1x3b h ALA 27 Ca 0.71 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.47 1x3b h ALA 27 Cb 1.69 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 20.05 1x3b h ALA 27 CO -0.86 -1.19 -0.37 0.82 0.00 0.00 0.00 179.25 177.65 1x3b h ILE 28 N -1.05 0.19 -0.67 0.00 2.04 0.78 1.51 117.51 120.31 1x3b h ILE 28 Ca -0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.92 1x3b h ILE 28 Cb 0.87 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.04 1x3b h ILE 28 CO 0.02 0.00 0.13 -0.61 0.00 0.00 0.00 178.15 177.69 1x3b h GLN 29 N -0.38 0.23 -0.16 2.37 -0.00 -0.40 1.26 115.11 118.02 1x3b h GLN 29 Ca 0.12 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.72 1x3b h GLN 29 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 1x3b h GLN 29 CO -0.45 0.15 -0.01 1.03 0.00 0.00 0.00 178.83 179.55 1x3b h SER 30 N 0.24 0.29 -0.32 -0.69 0.87 0.19 -2.69 113.55 111.44 1x3b h SER 30 Ca 0.37 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1x3b h SER 30 Cb 0.60 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1x3b h SER 30 CO -0.48 0.54 0.21 0.00 -0.53 0.00 0.00 176.83 176.57 1x3b h ALA 31 N 0.76 1.76 -0.50 6.23 0.00 0.36 -3.46 119.26 124.40 1x3b h ALA 31 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x3b h ALA 31 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x3b h ALA 31 CO 0.01 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1x3b n GLY 32 N -1.47 0.93 0.03 0.00 0.00 0.42 -4.88 105.19 100.23 1x3b n GLY 32 Ca 0.02 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1x3b n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x3b n LEU 33 N -0.25 0.00 -0.21 0.99 4.77 -0.90 -4.48 117.00 116.92 1x3b n LEU 33 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1x3b n LEU 33 Cb 0.36 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1x3b n LEU 33 CO 0.00 0.12 0.56 0.74 -1.33 0.00 0.00 177.39 177.48 1x3b h THR 34 N 0.00 0.07 -0.70 -5.08 2.02 -1.90 -0.39 112.91 106.92 1x3b h THR 34 Ca -0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1x3b h THR 34 Cb 1.29 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.66 1x3b h THR 34 CO 0.01 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.06 1x3b h GLU 35 N -0.24 -0.17 -0.34 6.66 5.08 -1.94 1.69 114.58 125.33 1x3b h GLU 35 Ca 0.17 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1x3b h GLU 35 Cb 0.56 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1x3b h GLU 35 CO -0.69 -0.12 -0.32 1.15 -1.00 0.00 0.00 179.01 178.03 1x3b h THR 36 N -0.18 0.25 0.00 1.13 2.02 -1.39 1.16 112.91 115.89 1x3b h THR 36 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1x3b h THR 36 Cb 0.53 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1x3b h THR 36 CO -0.77 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.30 1x3b n LEU 37 N -5.41 0.00 0.15 2.58 4.77 0.05 -1.34 117.00 117.80 1x3b n LEU 37 Ca 0.00 0.45 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1x3b n LEU 37 Cb 0.33 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1x3b n LEU 37 CO 0.09 -0.24 0.45 -1.13 -1.33 0.00 0.00 177.39 175.23 1x3b h ASN 38 N 0.00 0.00 -3.52 -1.43 -0.73 1.15 -3.43 115.58 107.62 1x3b h ASN 38 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 1x3b h ASN 38 Cb 0.22 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 1x3b h ASN 38 CO 0.00 0.34 0.03 -0.13 -0.37 0.00 0.00 177.43 177.31 1x3b s ARG 39 N -3.05 4.09 0.67 6.67 0.52 -0.43 -5.03 118.95 122.38 1x3b s ARG 39 Ca 0.04 0.67 -0.17 0.00 -0.52 0.00 0.00 55.73 55.75 1x3b s ARG 39 Cb 0.07 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 1x3b s ARG 39 CO 0.74 0.36 1.04 0.39 0.02 0.00 0.00 175.30 177.84 1x3b n GLU 40 N 0.44 0.77 0.00 3.54 1.02 -1.26 -4.81 120.64 120.33 1x3b n GLU 40 Ca -0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1x3b n GLU 40 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3b n GLY 41 N 1.13 -0.00 3.40 0.62 0.00 -1.26 -5.09 105.19 103.98 1x3b n GLY 41 Ca 0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -2.03 -0.02 -0.26 1.61 -7.23 -1.24 -4.01 120.40 107.22 1x3b s VAL 42 Ca 0.00 0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1x3b s VAL 42 Cb 0.00 -0.75 0.13 0.00 0.56 0.00 0.00 36.38 36.32 1x3b s VAL 42 CO 0.00 0.02 0.53 -0.31 -0.31 0.00 0.00 175.10 175.03 1x3b s TYR 43 N 1.40 -1.14 -0.51 2.82 2.02 -1.26 -4.08 117.35 116.61 1x3b s TYR 43 Ca -0.09 1.80 -0.23 0.00 -0.37 0.00 0.00 57.07 58.18 1x3b s TYR 43 Cb -0.07 0.51 0.04 0.00 -0.40 0.00 0.00 41.96 42.04 1x3b s TYR 43 CO -0.14 -0.64 0.82 0.99 -1.57 0.00 0.00 175.55 175.00 1x3b s THR 44 N 2.76 4.58 0.22 -0.71 2.01 -1.18 -3.63 115.64 119.69 1x3b s THR 44 Ca 0.02 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1x3b s THR 44 Cb -0.13 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 1x3b s THR 44 CO -0.17 -0.91 0.06 -0.69 -0.69 0.00 0.00 174.62 172.22 1x3b s VAL 45 N 3.43 3.91 -0.19 3.82 1.01 -1.20 0.99 120.40 132.18 1x3b s VAL 45 Ca 0.27 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1x3b s VAL 45 Cb -0.14 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1x3b s VAL 45 CO 0.19 -0.25 -0.06 -0.36 0.00 0.00 0.00 175.10 174.61 1x3b s PHE 46 N -2.02 1.95 -0.29 5.22 0.08 -1.04 -2.01 117.98 119.87 1x3b s PHE 46 Ca 0.30 -1.32 -0.08 0.00 0.12 0.00 0.00 56.93 55.96 1x3b s PHE 46 Cb -0.08 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1x3b s PHE 46 CO 0.21 -0.68 0.10 0.00 -0.10 0.00 0.00 175.22 174.75 1x3b s ALA 47 N 1.55 3.15 1.09 5.36 0.00 -1.23 -4.83 121.76 126.84 1x3b s ALA 47 Ca -0.01 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1x3b s ALA 47 Cb -0.16 -2.19 0.18 0.00 0.00 0.00 0.00 23.12 20.95 1x3b s ALA 47 CO -0.08 -0.79 0.85 -0.35 0.00 0.00 0.00 175.76 175.39 1x3b n PRO 48 N 4.92 -1.69 -0.70 0.00 -0.04 -1.26 -1.24 135.00 134.99 1x3b n PRO 48 Ca -0.15 -1.33 -0.05 0.00 -0.04 0.00 0.00 63.50 61.93 1x3b n PRO 48 Cb 0.49 -1.05 0.03 0.00 -0.04 0.00 0.00 33.50 32.94 1x3b n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x3b n THR 49 N -3.71 0.00 0.02 0.52 -2.24 -1.02 -4.67 114.28 103.18 1x3b n THR 49 Ca 0.11 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1x3b n THR 49 Cb 0.41 -1.58 -0.13 0.00 -2.10 0.00 0.00 70.33 66.93 1x3b n THR 49 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1x3b h ASN 50 N -0.22 0.48 0.31 3.42 -1.24 -1.95 -3.20 115.58 113.18 1x3b h ASN 50 Ca -0.07 -0.85 -0.03 0.00 0.71 0.00 0.00 56.30 56.06 1x3b h ASN 50 Cb 0.23 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.13 1x3b h ASN 50 CO 0.06 1.28 -0.12 -0.33 -1.29 0.00 0.00 177.43 177.03 1x3b h GLU 51 N -0.25 0.00 0.27 6.67 5.08 -1.95 -2.74 114.58 121.65 1x3b h GLU 51 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1x3b h GLU 51 Cb 1.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1x3b h GLU 51 CO 0.13 0.12 -0.26 0.00 -1.00 0.00 0.00 179.01 177.99 1x3b h ALA 52 N 1.88 -0.96 -0.25 3.43 0.00 -1.83 -0.36 119.26 121.16 1x3b h ALA 52 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x3b h ALA 52 Cb 0.31 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1x3b h ALA 52 CO 0.02 -0.98 -0.09 0.74 0.00 0.00 0.00 179.25 178.94 1x3b h PHE 53 N -0.53 -0.20 -0.36 0.00 -1.00 -1.62 0.15 116.94 113.39 1x3b h PHE 53 Ca -0.03 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.87 1x3b h PHE 53 Cb 0.46 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1x3b h PHE 53 CO -0.16 -0.14 0.54 0.00 -1.61 0.00 0.00 178.31 176.93 1x3b h ARG 54 N -0.04 0.00 -0.10 1.51 3.08 -1.33 1.27 114.38 118.78 1x3b h ARG 54 Ca 0.12 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1x3b h ARG 54 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1x3b h ARG 54 CO -0.28 0.00 -0.50 0.00 -1.07 0.00 0.00 179.97 178.13 1x3b h ALA 55 N 1.26 0.97 -2.94 0.04 0.00 0.11 -3.44 119.26 115.26 1x3b h ALA 55 Ca 0.17 -0.47 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 1x3b h ALA 55 Cb 1.24 -0.09 0.16 0.00 0.00 0.00 0.00 17.79 19.10 1x3b h ALA 55 CO -0.00 0.66 0.30 1.28 0.00 0.00 0.00 179.25 181.48 1x3b n LEU 56 N -3.96 4.67 -4.77 0.00 4.77 0.44 -4.99 117.00 113.16 1x3b n LEU 56 Ca -0.02 0.83 -0.29 0.00 -0.03 0.00 0.00 56.01 56.49 1x3b n LEU 56 Cb 0.54 -1.46 0.17 0.00 -2.33 0.00 0.00 43.42 40.35 1x3b n LEU 56 CO 0.43 -1.46 0.73 -2.16 -1.33 0.00 0.00 177.39 173.60 1x3b s PRO 57 N -2.99 0.44 0.00 3.23 0.04 -1.26 -4.86 135.00 129.60 1x3b s PRO 57 Ca 0.78 0.03 0.23 0.00 0.04 0.00 0.00 61.00 62.09 1x3b s PRO 57 Cb -0.40 -1.78 1.30 0.00 0.04 0.00 0.00 34.50 33.66 1x3b s PRO 57 CO 0.45 -2.62 1.77 -0.35 0.04 0.00 0.00 177.00 176.29 1x3b n PRO 58 N -4.01 0.55 -0.07 0.56 -0.04 -1.26 -2.39 135.00 128.34 1x3b n PRO 58 Ca 0.10 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1x3b n PRO 58 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1x3b n PRO 58 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x3b n ARG 59 N -1.13 0.44 -0.25 0.54 3.00 -1.26 -3.98 116.66 114.02 1x3b n ARG 59 Ca 0.15 0.24 0.04 0.00 -0.00 0.00 0.00 57.85 58.27 1x3b n ARG 59 Cb 0.13 -1.35 0.17 0.00 0.00 0.00 0.00 32.46 31.41 1x3b n ARG 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1x3b h GLU 60 N -0.86 0.45 0.00 -0.14 4.81 -1.95 0.41 114.58 117.31 1x3b h GLU 60 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1x3b h GLU 60 Cb 0.78 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1x3b h GLU 60 CO 0.00 0.30 0.00 0.54 -0.73 0.00 0.00 179.01 179.12 1x3b n ARG 61 N -4.98 0.00 -0.27 1.92 1.74 -1.01 0.05 116.66 114.11 1x3b n ARG 61 Ca 0.13 0.35 0.33 0.00 -0.77 0.00 0.00 57.85 57.90 1x3b n ARG 61 Cb 0.38 -1.23 0.63 0.00 -1.02 0.00 0.00 32.46 31.22 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x3b h SER 62 N 0.00 0.00 0.30 0.55 0.87 -1.66 0.91 113.55 114.51 1x3b h SER 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1x3b h SER 62 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x3b h SER 62 CO 0.00 0.00 -0.14 0.03 -0.53 0.00 0.00 176.83 176.19 1x3b h ARG 63 N 0.00 -0.38 0.00 2.24 2.47 -0.03 0.29 114.38 118.97 1x3b h ARG 63 Ca 0.53 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.28 1x3b h ARG 63 Cb 2.63 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 31.03 1x3b h ARG 63 CO -0.01 -0.26 -0.00 -0.07 0.56 0.00 0.00 179.97 180.20 1x3b h LEU 64 N -0.66 -0.00 -1.57 3.04 3.38 0.21 0.39 115.31 120.11 1x3b h LEU 64 Ca -0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x3b h LEU 64 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x3b h LEU 64 CO 0.07 0.11 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 1x3b h LEU 65 N -0.11 0.00 0.00 1.67 3.38 0.58 -3.35 115.31 117.47 1x3b h LEU 65 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x3b h LEU 65 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1x3b h LEU 65 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1x3b n GLY 66 N -0.72 0.53 3.76 0.83 0.00 0.10 -4.95 105.19 104.75 1x3b n GLY 66 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1x3b n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -1.00 6.41 -0.12 1.61 -1.08 0.12 -4.92 116.67 117.69 1x3b s ASP 67 Ca 0.00 2.94 -0.23 0.00 -0.52 0.00 0.00 52.55 54.74 1x3b s ASP 67 Cb 0.00 -2.64 -0.27 0.00 -1.46 0.00 0.00 42.92 38.55 1x3b s ASP 67 CO 0.00 -0.86 0.67 0.00 0.52 0.00 0.00 175.17 175.50 1x3b h ALA 68 N 4.23 0.05 -0.74 3.66 0.00 -1.85 -3.04 119.26 121.57 1x3b h ALA 68 Ca -0.48 -0.79 0.07 0.00 0.00 0.00 0.00 54.91 53.70 1x3b h ALA 68 Cb 1.23 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 1x3b h ALA 68 CO 0.74 0.39 -0.50 0.87 0.00 0.00 0.00 179.25 180.75 1x3b h LYS 69 N -0.67 -0.07 0.00 0.00 1.79 -1.94 1.54 116.57 117.22 1x3b h LYS 69 Ca -0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1x3b h LYS 69 Cb 1.39 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1x3b h LYS 69 CO 0.02 -0.05 -0.03 0.93 -1.08 0.00 0.00 179.45 179.25 1x3b h GLU 70 N -0.08 0.00 0.28 3.15 4.39 -1.93 -0.37 114.58 120.03 1x3b h GLU 70 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1x3b h GLU 70 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1x3b h GLU 70 CO -0.74 0.03 -0.14 1.25 -1.16 0.00 0.00 179.01 178.25 1x3b h LEU 71 N 0.00 -0.32 -0.94 1.33 6.46 0.21 -2.24 115.31 119.81 1x3b h LEU 71 Ca -0.00 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 57.93 1x3b h LEU 71 Cb 0.05 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 39.96 1x3b h LEU 71 CO 0.00 -0.21 0.54 0.00 -0.62 0.00 0.00 178.44 178.15 1x3b h ALA 72 N -1.79 1.47 -0.73 1.25 0.00 -0.11 0.98 119.26 120.33 1x3b h ALA 72 Ca -0.04 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1x3b h ALA 72 Cb 0.29 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 1x3b h ALA 72 CO 0.06 -0.03 -0.06 -0.97 0.00 0.00 0.00 179.25 178.26 1x3b h ASN 73 N 0.73 -0.45 0.43 0.00 -0.73 -0.96 1.39 115.58 116.00 1x3b h ASN 73 Ca 0.52 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.86 1x3b h ASN 73 Cb 0.73 0.37 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1x3b h ASN 73 CO -0.36 -0.20 -0.21 0.40 -0.37 0.00 0.00 177.43 176.70 1x3b h ILE 74 N 0.06 0.40 -0.71 2.57 1.08 -0.24 -2.57 117.51 118.11 1x3b h ILE 74 Ca 0.38 -0.54 0.14 0.00 -0.39 0.00 0.00 64.86 64.45 1x3b h ILE 74 Cb 0.64 0.59 -0.14 0.00 -3.07 0.00 0.00 36.82 34.85 1x3b h ILE 74 CO -0.68 0.07 -0.20 -0.07 -0.69 0.00 0.00 178.15 176.59 1x3b h LEU 75 N -0.97 -0.72 -0.41 1.44 3.38 -0.01 0.37 115.31 118.39 1x3b h LEU 75 Ca -0.06 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1x3b h LEU 75 Cb 0.57 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1x3b h LEU 75 CO 0.10 -0.24 -0.25 0.11 0.09 0.00 0.00 178.44 178.25 1x3b h LYS 76 N -0.02 -0.17 0.00 1.13 1.57 0.19 0.96 116.57 120.23 1x3b h LYS 76 Ca 0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1x3b h LYS 76 Cb 0.53 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1x3b h LYS 76 CO -0.74 -0.11 0.00 -0.92 -0.57 0.00 0.00 179.45 177.11 1x3b h TYR 77 N -0.17 0.00 0.00 -1.35 3.20 -0.04 -0.15 116.97 118.46 1x3b h TYR 77 Ca 0.19 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1x3b h TYR 77 Cb 0.48 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1x3b h TYR 77 CO -0.48 0.00 -0.70 0.45 -1.64 0.00 0.00 178.16 175.79 1x3b h HIS 78 N 0.00 0.00 -2.91 -3.82 3.86 0.42 -3.46 115.15 109.25 1x3b h HIS 78 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1x3b h HIS 78 Cb 0.22 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 1x3b h HIS 78 CO 0.00 0.07 -0.53 0.42 0.86 0.00 0.00 177.93 178.75 1x3b s ILE 79 N -3.26 5.12 0.42 2.45 1.01 0.16 -2.49 121.20 124.60 1x3b s ILE 79 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1x3b s ILE 79 Cb 0.08 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1x3b s ILE 79 CO 0.75 0.44 0.23 -0.83 0.00 0.00 0.00 174.94 175.53 1x3b s GLY 80 N -1.53 2.32 -0.56 6.18 0.00 0.28 -3.78 107.32 110.23 1x3b s GLY 80 Ca 0.21 -1.97 0.03 0.00 0.00 0.00 0.00 44.72 42.98 1x3b s GLY 80 CO 0.12 -1.88 1.46 1.34 0.00 0.00 0.00 173.10 174.13 1x3b n ASP 81 N -1.33 5.79 0.00 1.64 2.03 0.06 -3.10 116.55 121.64 1x3b n ASP 81 Ca -0.01 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.54 1x3b n ASP 81 Cb 0.64 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x3b n GLU 82 N -0.56 0.00 -3.10 -0.67 0.28 -1.26 -4.89 120.64 110.45 1x3b n GLU 82 Ca 0.46 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 57.03 1x3b n GLU 82 Cb 0.57 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.38 1x3b n GLU 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3b s ILE 83 N -2.00 4.80 -0.16 3.84 -1.09 -1.26 -3.48 121.20 121.84 1x3b s ILE 83 Ca 0.00 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1x3b s ILE 83 Cb 0.00 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1x3b s ILE 83 CO 0.00 -0.72 -0.20 -0.22 -1.23 0.00 0.00 174.94 172.57 1x3b s LEU 84 N 2.87 2.09 0.25 2.97 0.20 -1.26 -5.08 118.68 120.73 1x3b s LEU 84 Ca 0.21 -0.62 0.01 0.00 0.69 0.00 0.00 54.13 54.42 1x3b s LEU 84 Cb -0.16 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1x3b s LEU 84 CO 0.17 0.03 0.13 0.68 -0.29 0.00 0.00 176.35 177.06 1x3b s VAL 85 N 1.11 0.31 -0.92 1.68 -7.23 -1.26 -4.95 120.40 109.14 1x3b s VAL 85 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 1x3b s VAL 85 Cb -0.14 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1x3b s VAL 85 CO -0.09 0.00 2.24 -1.54 -0.31 0.00 0.00 175.10 175.41 1x3b n SER 86 N -0.54 5.27 -3.06 4.85 3.41 -1.26 -4.36 113.62 117.93 1x3b n SER 86 Ca 0.01 -2.33 -0.19 0.00 -0.26 0.00 0.00 58.87 56.10 1x3b n SER 86 Cb 0.66 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 87 N 3.65 1.92 0.00 5.00 0.00 -1.26 -4.91 105.19 109.58 1x3b n GLY 87 Ca 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x3b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3b n GLY 88 N 1.56 0.73 0.00 -0.02 0.00 -1.26 -5.12 105.19 101.07 1x3b n GLY 88 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1x3b n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x3b n ILE 89 N 0.00 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 114.51 1x3b n ILE 89 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x3b n ILE 89 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 3.55 -0.11 5.02 7.39 0.00 -1.26 -4.92 105.19 114.86 1x3b n GLY 90 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1x3b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3b n ALA 91 N 0.00 0.00 -3.10 4.61 0.00 -1.26 -4.68 120.51 116.07 1x3b n ALA 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N 0.00 1.11 0.01 0.00 1.98 -1.26 -3.94 118.68 116.58 1x3b s LEU 92 Ca 0.00 -0.11 -0.02 0.00 -2.89 0.00 0.00 54.13 51.11 1x3b s LEU 92 Cb 0.00 1.09 -0.01 0.00 0.66 0.00 0.00 46.19 47.93 1x3b s LEU 92 CO 0.00 -0.48 0.03 -0.69 -1.89 0.00 0.00 176.35 173.32 1x3b s VAL 93 N -1.75 0.08 -0.40 1.68 1.01 -0.63 -5.00 120.40 115.40 1x3b s VAL 93 Ca -0.11 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1x3b s VAL 93 Cb -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.14 1x3b s VAL 93 CO 0.01 -0.37 0.23 -0.13 0.00 0.00 0.00 175.10 174.84 1x3b s ARG 94 N -1.13 2.63 -0.33 2.72 0.52 -1.26 -1.70 118.95 120.40 1x3b s ARG 94 Ca -0.12 -1.36 -0.22 0.00 -0.52 0.00 0.00 55.73 53.51 1x3b s ARG 94 Cb -0.07 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.67 1x3b s ARG 94 CO -0.00 -0.87 0.72 -1.17 0.02 0.00 0.00 175.30 173.99 1x3b s LEU 95 N 1.44 4.15 -0.03 2.53 0.20 0.28 -4.88 118.68 122.37 1x3b s LEU 95 Ca 0.02 0.40 -0.30 0.00 0.69 0.00 0.00 54.13 54.94 1x3b s LEU 95 Cb -0.22 -2.93 -0.05 0.00 -0.43 0.00 0.00 46.19 42.55 1x3b s LEU 95 CO 0.03 -0.61 1.50 -0.75 -0.29 0.00 0.00 176.35 176.22 1x3b s LYS 96 N 2.86 4.23 0.53 1.98 2.20 -1.26 0.18 119.74 130.46 1x3b s LYS 96 Ca 0.29 2.05 0.07 0.00 -0.36 0.00 0.00 55.97 58.01 1x3b s LYS 96 Cb -0.14 -3.73 0.09 0.00 -1.51 0.00 0.00 37.83 32.54 1x3b s LYS 96 CO 0.14 -0.70 0.73 0.45 -0.36 0.00 0.00 175.35 175.62 1x3b n SER 97 N 6.11 1.76 -0.05 1.43 2.88 -1.23 -0.76 113.62 123.77 1x3b n SER 97 Ca 0.15 -2.30 -0.21 0.00 -1.33 0.00 0.00 58.87 55.17 1x3b n SER 97 Cb 0.43 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 63.36 1x3b n SER 97 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1x3b h LEU 98 N 0.00 0.20 -1.95 2.46 3.38 -1.68 -3.34 115.31 114.38 1x3b h LEU 98 Ca -0.25 -0.72 0.32 0.00 0.09 0.00 0.00 57.88 57.32 1x3b h LEU 98 Cb 1.10 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1x3b h LEU 98 CO 0.34 1.60 0.79 -0.61 0.09 0.00 0.00 178.44 180.65 1x3b h GLN 99 N -0.56 0.03 0.00 1.13 -0.00 -1.87 -3.45 115.11 110.39 1x3b h GLN 99 Ca -0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1x3b h GLN 99 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 29.07 1x3b h GLN 99 CO -0.06 0.02 0.00 0.41 0.00 0.00 0.00 178.83 179.20 1x3b n GLY 100 N -1.74 3.74 3.73 2.39 0.00 -1.25 -5.02 105.19 107.04 1x3b n GLY 100 Ca 0.24 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1x3b n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 101 N 0.00 6.97 0.06 1.61 1.01 -1.26 -4.61 116.67 120.46 1x3b s ASP 101 Ca 0.00 2.24 -0.28 0.00 0.71 0.00 0.00 52.55 55.22 1x3b s ASP 101 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1x3b s ASP 101 CO 0.00 -0.51 0.90 -0.54 0.21 0.00 0.00 175.17 175.23 1x3b s LYS 102 N 0.47 4.61 0.03 8.23 3.01 -1.26 -3.53 119.74 131.30 1x3b s LYS 102 Ca 0.58 1.31 -0.25 0.00 -1.01 0.00 0.00 55.97 56.61 1x3b s LYS 102 Cb -0.34 -3.39 -0.05 0.00 -1.01 0.00 0.00 37.83 33.04 1x3b s LYS 102 CO 0.33 0.18 0.76 -0.51 0.51 0.00 0.00 175.35 176.62 1x3b s LEU 103 N 0.20 4.44 -0.11 3.17 1.43 0.47 -4.77 118.68 123.51 1x3b s LEU 103 Ca 0.45 1.42 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 1x3b s LEU 103 Cb -0.22 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1x3b s LEU 103 CO 0.27 0.00 0.50 -1.61 0.23 0.00 0.00 176.35 175.74 1x3b s GLU 104 N 0.02 4.34 -0.04 1.70 8.01 -1.26 0.10 118.70 131.57 1x3b s GLU 104 Ca 0.38 0.50 -0.00 0.00 0.01 0.00 0.00 54.97 55.85 1x3b s GLU 104 Cb -0.20 -3.43 0.03 0.00 -4.31 0.00 0.00 34.13 26.21 1x3b s GLU 104 CO 0.22 0.16 0.01 0.08 0.01 0.00 0.00 175.26 175.74 1x3b s VAL 105 N 0.60 0.21 0.36 2.63 1.01 -0.69 -2.02 120.40 122.50 1x3b s VAL 105 Ca 0.27 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1x3b s VAL 105 Cb -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1x3b s VAL 105 CO 0.11 0.19 0.20 -0.94 0.00 0.00 0.00 175.10 174.66 1x3b s SER 106 N 1.47 2.08 -0.23 3.32 1.04 -1.21 -1.60 113.70 118.57 1x3b s SER 106 Ca -0.03 -1.70 -0.03 0.00 0.48 0.00 0.00 55.95 54.67 1x3b s SER 106 Cb -0.13 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1x3b s SER 106 CO -0.03 -0.99 0.07 -0.22 0.98 0.00 0.00 173.24 173.05 1x3b s LEU 107 N -3.46 1.27 -0.02 2.42 2.96 -1.25 -3.31 118.68 117.29 1x3b s LEU 107 Ca 0.33 -1.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1x3b s LEU 107 Cb 0.03 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1x3b s LEU 107 CO 0.21 -0.35 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.21 1x3b s LYS 108 N 1.86 1.18 -1.86 1.98 1.02 -0.44 -4.68 119.74 118.80 1x3b s LYS 108 Ca 0.03 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1x3b s LYS 108 Cb -0.17 -1.11 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 1x3b s LYS 108 CO -0.16 0.24 0.00 -1.71 -0.92 0.00 0.00 175.35 172.81 1x3b n ASN 109 N 2.93 -5.60 -0.12 2.83 5.15 -1.26 0.69 115.26 119.89 1x3b n ASN 109 Ca -0.16 0.43 -0.02 0.00 -0.60 0.00 0.00 54.58 54.24 1x3b n ASN 109 Cb 0.55 -4.65 -0.01 0.00 -0.53 0.00 0.00 39.78 35.14 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x3b n ASN 110 N -1.32 -3.45 -4.66 1.20 5.15 -1.26 -5.01 115.26 105.90 1x3b n ASN 110 Ca -0.17 0.04 -0.30 0.00 -0.60 0.00 0.00 54.58 53.55 1x3b n ASN 110 Cb 0.66 -1.08 -0.08 0.00 -0.53 0.00 0.00 39.78 38.74 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x3b s VAL 111 N -1.97 3.85 0.00 3.44 1.01 0.22 -5.11 120.40 121.84 1x3b s VAL 111 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1x3b s VAL 111 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1x3b s VAL 111 CO 0.00 0.09 0.09 -0.69 0.00 0.00 0.00 175.10 174.59 1x3b s VAL 112 N -1.34 4.76 0.02 2.92 1.01 -1.26 -1.33 120.40 125.18 1x3b s VAL 112 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1x3b s VAL 112 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1x3b s VAL 112 CO 0.17 0.33 0.00 -0.44 0.00 0.00 0.00 175.10 175.17 1x3b s SER 113 N -1.80 0.22 -0.23 3.32 0.01 -1.21 -2.65 113.70 111.36 1x3b s SER 113 Ca 0.24 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 1x3b s SER 113 Cb -0.12 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.31 1x3b s SER 113 CO 0.15 -0.34 0.08 0.54 0.41 0.00 0.00 173.24 174.08 1x3b s VAL 114 N -1.64 0.30 -0.51 3.43 0.11 -0.10 -3.35 120.40 118.64 1x3b s VAL 114 Ca -0.14 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1x3b s VAL 114 Cb -0.08 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1x3b s VAL 114 CO -0.01 -0.44 0.08 0.59 -3.33 0.00 0.00 175.10 172.00 1x3b n ASN 115 N 5.12 -2.69 -0.94 3.54 3.02 -0.86 -2.68 115.26 119.77 1x3b n ASN 115 Ca -0.07 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1x3b n ASN 115 Cb 0.45 -1.85 -0.01 0.00 -0.61 0.00 0.00 39.78 37.77 1x3b n ASN 115 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x3b n LYS 116 N -1.67 -0.67 -5.26 3.52 5.02 -1.26 -5.02 118.16 112.82 1x3b n LYS 116 Ca -0.06 0.45 -0.30 0.00 -2.02 0.00 0.00 58.31 56.38 1x3b n LYS 116 Cb 0.55 -4.41 -0.16 0.00 -0.02 0.00 0.00 35.03 30.98 1x3b n LYS 116 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x3b s GLU 117 N -4.26 2.04 0.17 1.97 2.02 -1.09 -5.11 118.70 114.42 1x3b s GLU 117 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.79 1x3b s GLU 117 Cb 0.00 -1.97 -0.07 0.00 0.10 0.00 0.00 34.13 32.18 1x3b s GLU 117 CO 0.00 0.54 1.12 -1.25 0.02 0.00 0.00 175.26 175.69 1x3b s PRO 118 N -0.59 4.56 0.32 0.39 0.04 -1.26 -0.93 135.00 137.53 1x3b s PRO 118 Ca 0.10 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1x3b s PRO 118 Cb -0.10 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1x3b s PRO 118 CO -0.01 0.02 0.54 0.08 0.04 0.00 0.00 177.00 177.66 1x3b s VAL 119 N -0.08 5.10 0.00 -0.36 1.01 -1.08 -3.27 120.40 121.71 1x3b s VAL 119 Ca 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1x3b s VAL 119 Cb -0.30 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1x3b s VAL 119 CO 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 175.10 174.98 1x3b n ALA 120 N -1.48 0.00 -3.74 5.51 0.00 0.73 -4.77 120.51 116.77 1x3b n ALA 120 Ca -0.04 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1x3b n ALA 120 Cb 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1x3b n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x3b s GLU 121 N -0.05 1.60 0.97 0.00 0.41 -0.93 -4.99 118.70 115.72 1x3b s GLU 121 Ca 0.00 -2.43 -0.14 0.00 -0.41 0.00 0.00 54.97 51.99 1x3b s GLU 121 Cb 0.00 -2.58 0.18 0.00 -1.78 0.00 0.00 34.13 29.95 1x3b s GLU 121 CO 0.00 -1.22 1.17 -1.25 -0.49 0.00 0.00 175.26 173.47 1x3b s PRO 122 N -0.22 0.61 -0.23 0.39 0.04 -1.26 -3.26 135.00 131.08 1x3b s PRO 122 Ca 0.22 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.34 1x3b s PRO 122 Cb -0.15 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1x3b s PRO 122 CO -0.07 -2.52 0.19 -3.47 0.04 0.00 0.00 177.00 171.17 1x3b n ASP 123 N -3.95 -2.61 -4.15 6.66 2.03 -1.23 -4.95 116.55 108.35 1x3b n ASP 123 Ca 0.09 -0.14 -0.39 0.00 0.52 0.00 0.00 54.79 54.88 1x3b n ASP 123 Cb 0.59 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 39.45 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x3b s ILE 124 N -3.08 4.03 0.11 5.18 1.01 -0.10 -4.66 121.20 123.70 1x3b s ILE 124 Ca 0.06 -2.64 -0.31 0.00 0.00 0.00 0.00 60.65 57.77 1x3b s ILE 124 Cb -0.01 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 1x3b s ILE 124 CO 0.15 -0.87 1.27 -0.04 0.00 0.00 0.00 174.94 175.45 1x3b s MET 125 N 0.28 4.40 0.37 2.79 -1.94 -1.26 0.93 119.30 124.88 1x3b s MET 125 Ca 0.15 1.91 0.04 0.00 -1.71 0.00 0.00 55.69 56.07 1x3b s MET 125 Cb -0.20 -3.28 0.04 0.00 2.01 0.00 0.00 34.83 33.39 1x3b s MET 125 CO -0.04 -0.29 0.29 0.00 -0.01 0.00 0.00 175.02 174.98 1x3b n ALA 126 N 3.59 0.59 0.96 3.03 0.00 0.31 -3.81 120.51 125.17 1x3b n ALA 126 Ca 0.09 -1.49 0.14 0.00 0.00 0.00 0.00 53.44 52.18 1x3b n ALA 126 Cb 0.44 0.60 0.60 0.00 0.00 0.00 0.00 19.45 21.10 1x3b n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x3b n THR 127 N -1.40 0.06 -2.69 0.00 -2.24 -1.26 -4.11 114.28 102.64 1x3b n THR 127 Ca -0.01 -0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1x3b n THR 127 Cb 0.42 -0.51 0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1x3b n ASN 128 N -1.56 -1.74 0.00 3.42 6.94 -1.26 -4.97 115.26 116.08 1x3b n ASN 128 Ca 0.07 -2.37 0.00 0.00 -0.02 0.00 0.00 54.58 52.26 1x3b n ASN 128 Cb 0.34 1.12 0.00 0.00 -2.36 0.00 0.00 39.78 38.88 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3b n GLY 129 N -0.43 -0.15 3.34 4.83 0.00 -1.26 -3.68 105.19 107.84 1x3b n GLY 129 Ca -0.08 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 1x3b n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3b s VAL 130 N -2.63 0.63 0.06 1.61 0.11 -1.24 0.11 120.40 119.06 1x3b s VAL 130 Ca 0.00 -2.00 -0.10 0.00 -2.93 0.00 0.00 61.98 56.95 1x3b s VAL 130 Cb 0.00 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 32.21 1x3b s VAL 130 CO 0.00 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.30 1x3b s VAL 131 N -3.67 0.11 -0.30 2.04 1.01 0.27 -3.27 120.40 116.59 1x3b s VAL 131 Ca 0.37 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1x3b s VAL 131 Cb 0.08 -1.06 0.12 0.00 0.00 0.00 0.00 36.38 35.52 1x3b s VAL 131 CO 0.14 -0.52 0.23 -1.00 0.00 0.00 0.00 175.10 173.95 1x3b s HIS 132 N -3.02 -0.08 0.07 5.22 3.76 -0.85 -0.92 115.29 119.47 1x3b s HIS 132 Ca -0.02 -0.56 -0.31 0.00 -0.15 0.00 0.00 55.06 54.02 1x3b s HIS 132 Cb 0.01 -0.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.94 1x3b s HIS 132 CO -0.06 -0.88 1.93 0.28 -0.85 0.00 0.00 174.74 175.15 1x3b n VAL 133 N 5.17 0.62 -3.05 -0.90 0.31 -1.20 -3.57 118.33 115.70 1x3b n VAL 133 Ca -0.02 -0.11 -0.18 0.00 -0.01 0.00 0.00 64.34 64.02 1x3b n VAL 133 Cb 0.44 -2.25 0.01 0.00 -0.91 0.00 0.00 33.84 31.14 1x3b n VAL 133 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x3b s ILE 134 N 3.81 2.87 -0.15 2.52 -4.36 -0.37 0.26 121.20 125.78 1x3b s ILE 134 Ca 0.86 -1.02 0.17 0.00 -0.26 0.00 0.00 60.65 60.40 1x3b s ILE 134 Cb -0.45 -2.89 0.34 0.00 1.25 0.00 0.00 42.46 40.70 1x3b s ILE 134 CO 0.40 0.00 1.19 0.35 0.24 0.00 0.00 174.94 177.13 1x3b n THR 135 N -1.88 2.00 -3.64 8.37 -2.24 -1.20 -2.44 114.28 113.24 1x3b n THR 135 Ca 0.09 -2.42 -0.06 0.00 -2.27 0.00 0.00 64.05 59.39 1x3b n THR 135 Cb 0.60 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 1x3b n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x3b s ASN 136 N -2.86 -0.29 -0.02 3.42 2.20 -1.26 -4.71 114.94 111.41 1x3b s ASN 136 Ca 0.34 0.55 -0.30 0.00 -0.94 0.00 0.00 52.86 52.51 1x3b s ASN 136 Cb 0.30 0.62 -0.06 0.00 -2.00 0.00 0.00 41.25 40.11 1x3b s ASN 136 CO 0.02 -0.09 1.64 -0.69 -2.94 0.00 0.00 177.10 175.03 1x3b s VAL 137 N 0.26 3.46 0.85 3.54 1.01 -1.26 -4.81 120.40 123.45 1x3b s VAL 137 Ca 0.04 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 1x3b s VAL 137 Cb -0.05 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1x3b s VAL 137 CO -0.11 -0.04 1.09 -0.76 0.00 0.00 0.00 175.10 175.29 1x3b s LEU 138 N 3.58 2.44 0.05 3.92 1.43 -1.26 -5.08 118.68 123.76 1x3b s LEU 138 Ca 0.73 1.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1x3b s LEU 138 Cb -0.35 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 1x3b s LEU 138 CO 0.30 -2.30 0.03 -1.10 0.23 0.00 0.00 176.35 173.50 1x3b s GLN 139 N -5.04 0.60 0.54 1.70 -0.21 -1.26 -5.07 119.66 110.93 1x3b s GLN 139 Ca 0.62 -1.01 -0.18 0.00 0.02 0.00 0.00 55.36 54.82 1x3b s GLN 139 Cb -0.16 0.22 -0.06 0.00 1.00 0.00 0.00 33.01 34.01 1x3b s GLN 139 CO 0.56 -0.13 1.04 -1.25 -2.12 0.00 0.00 175.29 173.39 1x3b s PRO 140 N -3.33 3.57 -0.23 2.91 0.04 -1.26 -5.01 135.00 131.69 1x3b s PRO 140 Ca 0.01 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1x3b s PRO 140 Cb 0.03 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1x3b s PRO 140 CO -0.08 -0.61 -0.28 0.45 0.04 0.00 0.00 177.00 176.52 1x3b n SER 141 N -1.55 1.93 -0.09 6.66 2.88 -1.26 -5.12 113.62 117.08 1x3b n SER 141 Ca 0.09 0.37 0.01 0.00 -1.33 0.00 0.00 58.87 58.01 1x3b n SER 141 Cb 0.53 -0.81 -0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 142 N 1.36 -1.63 0.12 0.46 0.00 -1.26 -4.61 105.19 99.62 1x3b n GLY 142 Ca -0.36 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 1x3b n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b h PRO 143 N -0.08 0.27 -5.26 1.61 0.13 -2.06 -3.43 132.00 123.18 1x3b h PRO 143 Ca -0.00 -0.27 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 1x3b h PRO 143 Cb 0.08 0.07 -0.23 0.00 0.13 0.00 0.00 31.00 31.05 1x3b h PRO 143 CO 0.00 0.96 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.93 1x3b s SER 144 N -6.43 4.70 -0.31 1.44 0.01 -1.26 -5.04 113.70 106.80 1x3b s SER 144 Ca -0.15 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1x3b s SER 144 Cb 0.02 -1.77 0.19 0.00 0.21 0.00 0.00 66.02 64.67 1x3b s SER 144 CO 0.77 0.15 0.89 -0.94 0.41 0.00 0.00 173.24 174.51 1x3b s SER 145 N 0.50 -0.82 0.00 2.44 1.04 -1.26 -5.09 113.70 110.51 1x3b s SER 145 Ca -0.04 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1x3b s SER 145 Cb -0.14 1.37 0.04 0.00 0.10 0.00 0.00 66.02 67.39 1x3b s SER 145 CO 0.03 -0.13 0.67 0.61 0.98 0.00 0.00 173.24 175.39