#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 -0.62 0.07 1.61 0.01 -1.26 -5.17 113.70 108.33 1x3b s SER 2 Ca 0.00 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.43 1x3b s SER 2 Cb 0.00 1.14 -0.03 0.00 0.21 0.00 0.00 66.02 67.34 1x3b s SER 2 CO 0.00 -0.26 -0.09 -0.94 0.41 0.00 0.00 173.24 172.36 1x3b s SER 3 N 0.10 1.17 0.29 2.44 1.04 -1.26 -5.10 113.70 112.38 1x3b s SER 3 Ca -0.02 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1x3b s SER 3 Cb -0.04 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1x3b s SER 3 CO 0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1x3b n GLY 4 N 0.96 -1.86 2.48 7.32 0.00 -1.26 -5.02 105.19 107.82 1x3b n GLY 4 Ca -0.19 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 1x3b n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3b n SER 5 N -3.68 -4.97 -0.05 1.61 7.64 -1.26 -4.98 113.62 107.93 1x3b n SER 5 Ca 0.00 1.56 -0.01 0.00 1.01 0.00 0.00 58.87 61.43 1x3b n SER 5 Cb 0.54 -4.82 -0.00 0.00 -1.01 0.00 0.00 64.21 58.91 1x3b n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x3b h SER 6 N 4.27 0.00 -3.26 6.43 0.02 -2.04 -3.49 113.55 115.48 1x3b h SER 6 Ca -0.25 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.51 1x3b h SER 6 Cb 0.55 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1x3b h SER 6 CO 0.00 0.56 -0.17 0.61 -1.14 0.00 0.00 176.83 176.69 1x3b n GLY 7 N 1.74 3.74 0.00 -3.77 0.00 -1.26 -5.18 105.19 100.47 1x3b n GLY 7 Ca -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1x3b n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x3b n MET 8 N -0.31 0.00 0.00 1.61 -0.00 -1.26 -5.15 117.12 112.01 1x3b n MET 8 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.69 1x3b n MET 8 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.44 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 0.00 -0.70 3.73 3.17 0.00 -1.26 -5.05 105.19 105.08 1x3b n GLY 9 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 2.75 0.19 2.61 -4.23 -1.26 -2.92 115.64 112.78 1x3b s THR 10 Ca 0.00 0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 60.56 1x3b s THR 10 Cb 0.00 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.38 1x3b s THR 10 CO 0.00 -0.30 1.45 0.55 -0.54 0.00 0.00 174.62 175.78 1x3b n VAL 11 N -3.63 -0.55 -0.18 2.29 3.14 -1.26 0.12 118.33 118.26 1x3b n VAL 11 Ca 0.11 2.23 -0.01 0.00 -2.96 0.00 0.00 64.34 63.70 1x3b n VAL 11 Cb 0.52 -2.87 0.09 0.00 -1.06 0.00 0.00 33.84 30.51 1x3b n VAL 11 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1x3b h MET 12 N 0.00 0.25 -0.47 1.45 2.86 -1.90 -0.76 114.93 116.36 1x3b h MET 12 Ca 0.26 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1x3b h MET 12 Cb 0.50 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1x3b h MET 12 CO -0.92 0.17 0.28 -0.44 1.06 0.00 0.00 176.91 177.06 1x3b h ASP 13 N 0.26 0.46 -0.71 1.22 5.19 0.59 0.86 116.42 124.27 1x3b h ASP 13 Ca 0.28 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.90 1x3b h ASP 13 Cb 0.39 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1x3b h ASP 13 CO -0.35 0.32 0.61 0.58 -3.12 0.00 0.00 179.24 177.28 1x3b h VAL 14 N 0.56 0.43 0.13 -1.35 2.07 0.16 1.05 116.25 119.31 1x3b h VAL 14 Ca 0.19 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.44 1x3b h VAL 14 Cb 0.01 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1x3b h VAL 14 CO -0.08 0.00 -1.29 -0.07 0.02 0.00 0.00 177.57 176.15 1x3b h LEU 15 N 0.00 0.45 -0.72 2.57 3.38 -0.39 -3.05 115.31 117.54 1x3b h LEU 15 Ca 0.34 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1x3b h LEU 15 Cb 1.55 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1x3b h LEU 15 CO -0.00 1.58 0.41 0.11 0.09 0.00 0.00 178.44 180.62 1x3b h LYS 16 N -0.27 1.00 -0.22 1.13 1.57 0.16 -2.68 116.57 117.25 1x3b h LYS 16 Ca -0.26 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1x3b h LYS 16 Cb 1.78 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1x3b h LYS 16 CO 0.10 0.73 0.13 0.78 -0.57 0.00 0.00 179.45 180.62 1x3b h GLY 17 N 0.99 0.30 -4.58 3.86 0.00 0.79 -3.41 103.07 101.02 1x3b h GLY 17 Ca 0.26 -0.10 -0.54 0.00 0.00 0.00 0.00 47.33 46.94 1x3b h GLY 17 CO -0.04 0.10 0.59 0.99 0.00 0.00 0.00 176.54 178.18 1x3b s ASP 18 N -5.37 7.09 0.12 0.19 1.11 -1.01 -4.92 116.67 113.87 1x3b s ASP 18 Ca -0.13 1.92 -0.06 0.00 0.18 0.00 0.00 52.55 54.46 1x3b s ASP 18 Cb 0.09 -2.57 -0.13 0.00 1.07 0.00 0.00 42.92 41.38 1x3b s ASP 18 CO 0.69 -0.49 1.27 0.78 1.18 0.00 0.00 175.17 178.60 1x3b h ASN 19 N 7.04 0.58 -1.15 0.27 2.35 -1.79 -3.15 115.58 119.72 1x3b h ASN 19 Ca -0.39 -0.48 0.32 0.00 -0.55 0.00 0.00 56.30 55.21 1x3b h ASN 19 Cb 1.20 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.31 1x3b h ASN 19 CO 0.83 1.28 0.78 0.03 -1.65 0.00 0.00 177.43 178.71 1x3b h ARG 20 N 0.24 0.17 -2.08 0.81 3.08 -1.91 -0.08 114.38 114.61 1x3b h ARG 20 Ca -0.09 -0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.31 1x3b h ARG 20 Cb 1.64 -0.04 -0.38 0.00 0.08 0.00 0.00 29.97 31.26 1x3b h ARG 20 CO 0.17 0.11 -0.26 1.19 -1.07 0.00 0.00 179.97 180.12 1x3b n PHE 21 N -4.42 3.62 -0.02 3.04 3.72 -1.19 -4.22 117.46 117.99 1x3b n PHE 21 Ca 0.27 -3.43 -0.01 0.00 -0.05 0.00 0.00 57.45 54.22 1x3b n PHE 21 Cb 1.12 -0.56 -0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1x3b n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x3b h SER 22 N 3.09 0.00 -1.58 4.37 4.64 -1.11 -3.32 113.55 119.64 1x3b h SER 22 Ca 0.27 0.00 0.50 0.00 -0.47 0.00 0.00 61.79 62.09 1x3b h SER 22 Cb 0.53 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.51 1x3b h SER 22 CO 0.93 0.26 1.07 0.24 -0.87 0.00 0.00 176.83 178.46 1x3b h MET 23 N -0.36 0.02 0.95 4.77 2.86 -1.87 0.44 114.93 121.74 1x3b h MET 23 Ca 0.00 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1x3b h MET 23 Cb 0.16 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1x3b h MET 23 CO 0.00 0.01 -0.46 1.25 1.06 0.00 0.00 176.91 178.78 1x3b h LEU 24 N 0.02 -1.08 -0.93 1.22 5.85 -1.92 -2.76 115.31 115.71 1x3b h LEU 24 Ca 0.88 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.79 1x3b h LEU 24 Cb 3.09 0.28 -0.16 0.00 0.37 0.00 0.00 40.66 44.25 1x3b h LEU 24 CO -0.28 -0.76 -0.36 0.58 -0.34 0.00 0.00 178.44 177.28 1x3b h VAL 25 N -1.30 0.03 -0.84 1.05 2.07 -0.23 0.79 116.25 117.82 1x3b h VAL 25 Ca -0.13 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1x3b h VAL 25 Cb 0.98 0.03 -0.15 0.00 -1.52 0.00 0.00 31.29 30.63 1x3b h VAL 25 CO 0.21 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.53 1x3b h ALA 26 N 1.41 0.36 -0.70 1.67 0.00 -1.30 1.78 119.26 122.47 1x3b h ALA 26 Ca 0.35 0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.67 1x3b h ALA 26 Cb 0.60 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1x3b h ALA 26 CO -0.94 -0.50 0.28 0.00 0.00 0.00 0.00 179.25 178.08 1x3b h ALA 27 N 1.58 0.95 0.05 0.00 0.00 0.86 0.64 119.26 123.35 1x3b h ALA 27 Ca 0.36 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1x3b h ALA 27 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x3b h ALA 27 CO -0.87 -0.18 -0.03 0.82 0.00 0.00 0.00 179.25 178.99 1x3b h ILE 28 N 0.45 1.21 -0.97 0.00 2.04 0.20 0.87 117.51 121.31 1x3b h ILE 28 Ca 0.37 -0.93 0.18 0.00 1.00 0.00 0.00 64.86 65.48 1x3b h ILE 28 Cb 0.51 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 1x3b h ILE 28 CO -0.36 0.23 0.57 -0.61 0.00 0.00 0.00 178.15 177.98 1x3b h GLN 29 N -0.49 0.71 0.11 2.37 4.15 0.31 1.55 115.11 123.83 1x3b h GLN 29 Ca -0.01 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.15 1x3b h GLN 29 Cb 0.44 -0.16 0.02 0.00 0.21 0.00 0.00 27.48 27.99 1x3b h GLN 29 CO 0.01 0.47 -0.92 1.03 -1.93 0.00 0.00 178.83 177.50 1x3b h SER 30 N 0.74 0.61 -0.21 -0.69 0.87 0.37 -3.23 113.55 112.00 1x3b h SER 30 Ca 0.55 -0.87 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1x3b h SER 30 Cb 0.83 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1x3b h SER 30 CO -0.38 1.43 0.10 0.00 -0.53 0.00 0.00 176.83 177.45 1x3b h ALA 31 N 0.19 1.68 -1.32 6.23 0.00 0.21 -3.47 119.26 122.79 1x3b h ALA 31 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x3b h ALA 31 Cb 1.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1x3b h ALA 31 CO 0.17 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1x3b n GLY 32 N -1.28 0.74 0.01 0.00 0.00 0.52 -4.83 105.19 100.34 1x3b n GLY 32 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.66 0.01 -0.13 0.99 4.77 -1.01 -4.59 117.00 116.38 1x3b n LEU 33 Ca 0.00 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1x3b n LEU 33 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1x3b n LEU 33 CO 0.00 0.00 0.63 0.74 -1.33 0.00 0.00 177.39 177.43 1x3b h THR 34 N 0.00 0.20 -0.56 -5.08 2.02 -1.92 -0.81 112.91 106.76 1x3b h THR 34 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1x3b h THR 34 Cb 0.57 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.09 1x3b h THR 34 CO 0.00 0.00 -0.48 -0.33 0.37 0.00 0.00 175.52 175.08 1x3b h GLU 35 N -0.25 -0.25 -0.35 6.66 4.39 -1.93 1.54 114.58 124.39 1x3b h GLU 35 Ca 0.18 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.97 1x3b h GLU 35 Cb 0.55 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 1x3b h GLU 35 CO -0.56 -0.17 -0.29 1.15 -1.16 0.00 0.00 179.01 177.98 1x3b h THR 36 N -0.26 0.29 0.00 1.13 2.02 -1.54 1.03 112.91 115.59 1x3b h THR 36 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1x3b h THR 36 Cb 0.56 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1x3b h THR 36 CO -0.68 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.39 1x3b n LEU 37 N -5.40 0.31 -1.66 2.58 4.77 -0.15 -1.53 117.00 115.91 1x3b n LEU 37 Ca 0.01 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1x3b n LEU 37 Cb 0.32 -0.55 0.21 0.00 -2.33 0.00 0.00 43.42 41.07 1x3b n LEU 37 CO 0.10 -0.45 0.86 0.59 -1.33 0.00 0.00 177.39 177.16 1x3b n ASN 38 N -1.86 3.94 -4.22 -1.43 3.02 0.51 -4.63 115.26 110.59 1x3b n ASN 38 Ca 0.02 -2.88 -0.27 0.00 -0.03 0.00 0.00 54.58 51.43 1x3b n ASN 38 Cb 0.17 -0.68 -0.15 0.00 -0.61 0.00 0.00 39.78 38.51 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x3b s ARG 39 N -2.27 1.61 -0.19 3.52 0.52 -0.59 -4.96 118.95 116.60 1x3b s ARG 39 Ca 0.39 -0.76 -0.32 0.00 -0.52 0.00 0.00 55.73 54.52 1x3b s ARG 39 Cb 0.31 -1.58 -0.09 0.00 0.52 0.00 0.00 34.95 34.11 1x3b s ARG 39 CO 0.09 0.43 2.08 0.39 0.02 0.00 0.00 175.30 178.31 1x3b n GLU 40 N 2.47 1.85 0.00 3.54 1.02 -1.26 -4.68 120.64 123.57 1x3b n GLU 40 Ca -0.15 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1x3b n GLU 40 Cb 0.53 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 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 5.42 -0.94 3.16 0.62 0.00 -1.26 -5.15 105.19 107.04 1x3b n GLY 41 Ca 0.30 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.47 -0.03 -0.25 1.61 -7.23 -1.26 -3.97 120.40 105.80 1x3b s VAL 42 Ca 0.00 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1x3b s VAL 42 Cb 0.00 -0.48 0.12 0.00 0.56 0.00 0.00 36.38 36.59 1x3b s VAL 42 CO 0.00 0.04 0.52 -0.31 -0.31 0.00 0.00 175.10 175.04 1x3b s TYR 43 N 1.12 -1.11 -0.43 2.82 2.02 -1.26 -4.02 117.35 116.48 1x3b s TYR 43 Ca -0.08 1.77 -0.22 0.00 -0.37 0.00 0.00 57.07 58.17 1x3b s TYR 43 Cb -0.08 0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.99 1x3b s TYR 43 CO -0.08 -0.63 0.73 0.99 -1.57 0.00 0.00 175.55 174.98 1x3b s THR 44 N 2.74 4.73 0.23 -0.71 2.01 -1.21 -3.55 115.64 119.89 1x3b s THR 44 Ca 0.01 0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1x3b s THR 44 Cb -0.13 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1x3b s THR 44 CO -0.16 -0.62 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.42 1x3b s VAL 45 N 3.08 3.38 -0.17 3.82 1.01 -1.20 0.16 120.40 130.47 1x3b s VAL 45 Ca 0.27 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.45 1x3b s VAL 45 Cb -0.13 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.54 1x3b s VAL 45 CO 0.20 -0.27 -0.07 -0.36 0.00 0.00 0.00 175.10 174.60 1x3b s PHE 46 N -2.09 1.95 -0.28 5.22 0.40 -1.04 -1.74 117.98 120.40 1x3b s PHE 46 Ca 0.29 -1.25 -0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1x3b s PHE 46 Cb -0.07 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1x3b s PHE 46 CO 0.18 -0.66 0.08 0.00 0.70 0.00 0.00 175.22 175.52 1x3b s ALA 47 N 1.55 3.11 1.06 5.36 0.00 -1.23 -4.83 121.76 126.78 1x3b s ALA 47 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1x3b s ALA 47 Cb -0.15 -2.14 0.13 0.00 0.00 0.00 0.00 23.12 20.96 1x3b s ALA 47 CO -0.08 -0.77 0.61 -0.35 0.00 0.00 0.00 175.76 175.17 1x3b n PRO 48 N 4.90 -1.35 -2.06 0.00 -0.04 -1.26 -0.79 135.00 134.40 1x3b n PRO 48 Ca -0.15 -0.95 -0.15 0.00 -0.04 0.00 0.00 63.50 62.21 1x3b n PRO 48 Cb 0.49 -0.75 0.07 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.29 0.00 -0.06 0.52 -2.24 -1.00 -4.71 114.28 103.50 1x3b n THR 49 Ca 0.08 -1.14 -0.15 0.00 -2.27 0.00 0.00 64.05 60.57 1x3b n THR 49 Cb 0.29 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 1x3b n THR 49 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x3b h ASN 50 N -0.24 0.77 0.32 3.42 2.35 -1.95 -2.67 115.58 117.58 1x3b h ASN 50 Ca -0.21 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1x3b h ASN 50 Cb 0.82 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1x3b h ASN 50 CO 0.24 1.20 0.00 -0.62 -1.65 0.00 0.00 177.43 176.60 1x3b n GLU 51 N -4.16 0.14 0.09 0.81 1.02 -1.26 -1.68 120.64 115.59 1x3b n GLU 51 Ca -0.06 0.51 -0.05 0.00 -0.02 0.00 0.00 57.16 57.54 1x3b n GLU 51 Cb 0.59 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1x3b n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x3b h ALA 52 N 2.14 -0.36 -0.99 0.62 0.00 -1.77 -2.91 119.26 116.00 1x3b h ALA 52 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1x3b h ALA 52 Cb 0.16 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1x3b h ALA 52 CO 0.00 -0.34 0.65 0.74 0.00 0.00 0.00 179.25 180.30 1x3b h PHE 53 N -0.87 1.20 -0.04 0.00 -1.00 -1.48 0.50 116.94 115.25 1x3b h PHE 53 Ca -0.03 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1x3b h PHE 53 Cb 0.23 -0.40 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 1x3b h PHE 53 CO 0.01 0.65 0.04 0.00 -1.61 0.00 0.00 178.31 177.40 1x3b h ARG 54 N 1.20 0.00 -0.28 1.51 3.08 -1.43 -0.60 114.38 117.86 1x3b h ARG 54 Ca 0.41 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.33 1x3b h ARG 54 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1x3b h ARG 54 CO -0.15 0.00 -0.34 0.00 -1.07 0.00 0.00 179.97 178.41 1x3b h ALA 55 N 1.96 0.42 -1.80 0.04 0.00 -0.68 -3.45 119.26 115.76 1x3b h ALA 55 Ca 0.02 -0.43 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1x3b h ALA 55 Cb 0.09 -0.08 0.11 0.00 0.00 0.00 0.00 17.79 17.91 1x3b h ALA 55 CO -0.00 0.48 -0.01 1.28 0.00 0.00 0.00 179.25 180.99 1x3b n LEU 56 N -4.22 1.17 -4.78 0.00 4.77 -0.23 -4.95 117.00 108.76 1x3b n LEU 56 Ca -0.04 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.81 1x3b n LEU 56 Cb 0.50 -1.22 0.17 0.00 -2.33 0.00 0.00 43.42 40.55 1x3b n LEU 56 CO 0.46 -1.75 0.73 -2.16 -1.33 0.00 0.00 177.39 173.34 1x3b s PRO 57 N -1.46 0.45 0.00 3.23 0.04 -1.26 -4.85 135.00 131.15 1x3b s PRO 57 Ca 0.60 0.02 0.23 0.00 0.04 0.00 0.00 61.00 61.89 1x3b s PRO 57 Cb -0.74 -1.78 1.10 0.00 0.04 0.00 0.00 34.50 33.12 1x3b s PRO 57 CO 0.59 -2.62 1.73 -0.35 0.04 0.00 0.00 177.00 176.40 1x3b n PRO 58 N -4.00 0.26 -0.12 0.56 -0.04 -1.26 -1.62 135.00 128.78 1x3b n PRO 58 Ca 0.10 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 1x3b n PRO 58 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 1x3b n PRO 58 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x3b n ARG 59 N -1.33 0.58 0.23 0.54 3.00 -1.26 -3.97 116.66 114.45 1x3b n ARG 59 Ca 0.10 0.45 0.15 0.00 -0.01 0.00 0.00 57.85 58.54 1x3b n ARG 59 Cb 0.20 -1.65 0.56 0.00 0.00 0.00 0.00 32.46 31.57 1x3b n ARG 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1x3b h GLU 60 N -0.96 0.00 0.00 5.56 5.08 -1.93 -2.42 114.58 119.91 1x3b h GLU 60 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1x3b h GLU 60 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1x3b h GLU 60 CO -0.28 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.60 1x3b n ARG 61 N -2.84 0.00 0.11 2.33 0.63 -0.64 -2.68 116.66 113.57 1x3b n ARG 61 Ca 0.02 0.33 0.18 0.00 -0.92 0.00 0.00 57.85 57.46 1x3b n ARG 61 Cb 0.32 -1.15 0.75 0.00 0.45 0.00 0.00 32.46 32.83 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x3b h SER 62 N 0.00 0.00 -0.24 6.15 0.87 -1.69 0.82 113.55 119.46 1x3b h SER 62 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1x3b h SER 62 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1x3b h SER 62 CO 0.00 0.00 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.10 1x3b h ARG 63 N 0.00 -0.07 0.03 2.24 2.43 -1.45 1.66 114.38 119.22 1x3b h ARG 63 Ca 0.17 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.07 1x3b h ARG 63 Cb 0.79 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1x3b h ARG 63 CO -0.00 -0.05 -1.49 1.28 -1.51 0.00 0.00 179.97 178.20 1x3b n LEU 64 N -5.27 2.07 0.19 3.80 4.77 -0.43 -3.17 117.00 118.95 1x3b n LEU 64 Ca -0.01 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 1x3b n LEU 64 Cb 0.19 -1.01 0.67 0.00 -2.33 0.00 0.00 43.42 40.95 1x3b n LEU 64 CO 0.20 0.44 0.88 -0.07 -1.33 0.00 0.00 177.39 177.51 1x3b h LEU 65 N -0.71 0.00 0.00 2.23 3.38 0.60 -3.34 115.31 117.46 1x3b h LEU 65 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x3b h LEU 65 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1x3b h LEU 65 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1x3b n GLY 66 N -1.25 0.68 3.73 0.83 0.00 0.56 -4.93 105.19 104.82 1x3b n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x3b n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.00 6.42 0.08 1.61 1.11 -1.19 -4.90 116.67 118.80 1x3b s ASP 67 Ca 0.00 2.85 -0.13 0.00 0.18 0.00 0.00 52.55 55.45 1x3b s ASP 67 Cb 0.00 -2.61 -0.22 0.00 1.07 0.00 0.00 42.92 41.16 1x3b s ASP 67 CO 0.00 -0.92 1.20 0.00 1.18 0.00 0.00 175.17 176.64 1x3b h ALA 68 N 6.00 0.15 -0.55 5.23 0.00 -1.89 -2.55 119.26 125.64 1x3b h ALA 68 Ca -0.45 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 53.85 1x3b h ALA 68 Cb 1.21 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1x3b h ALA 68 CO 0.88 0.70 -0.45 0.87 0.00 0.00 0.00 179.25 181.25 1x3b h LYS 69 N 0.38 -0.24 -0.70 0.00 1.79 -1.93 0.55 116.57 116.42 1x3b h LYS 69 Ca -0.13 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.29 1x3b h LYS 69 Cb 1.69 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.37 1x3b h LYS 69 CO 0.20 -0.16 0.18 0.93 -1.08 0.00 0.00 179.45 179.52 1x3b h GLU 70 N -0.25 1.11 0.02 3.15 4.39 -1.88 -1.24 114.58 119.88 1x3b h GLU 70 Ca 0.17 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1x3b h GLU 70 Cb 0.57 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1x3b h GLU 70 CO -0.67 0.98 -0.03 1.25 -1.16 0.00 0.00 179.01 179.37 1x3b h LEU 71 N 1.05 -0.10 -0.93 1.33 6.46 -0.26 -0.20 115.31 122.65 1x3b h LEU 71 Ca 0.22 0.01 0.23 0.00 -0.12 0.00 0.00 57.88 58.22 1x3b h LEU 71 Cb 0.36 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 40.20 1x3b h LEU 71 CO 0.00 -0.04 0.46 0.00 -0.62 0.00 0.00 178.44 178.24 1x3b h ALA 72 N -1.59 1.55 -0.55 1.25 0.00 -0.09 0.34 119.26 120.17 1x3b h ALA 72 Ca -0.00 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1x3b h ALA 72 Cb 0.05 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 1x3b h ALA 72 CO -0.01 -0.32 -0.16 -0.97 0.00 0.00 0.00 179.25 177.79 1x3b h ASN 73 N 0.45 -0.58 -0.06 0.00 -1.24 -0.45 1.42 115.58 115.13 1x3b h ASN 73 Ca 0.59 0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.77 1x3b h ASN 73 Cb 1.12 0.37 -0.00 0.00 0.73 0.00 0.00 38.32 40.54 1x3b h ASN 73 CO -0.51 -0.20 0.02 0.40 -1.29 0.00 0.00 177.43 175.85 1x3b h ILE 74 N -0.02 1.15 -0.62 2.57 1.08 0.14 -2.22 117.51 119.59 1x3b h ILE 74 Ca 0.26 -0.44 0.10 0.00 -0.39 0.00 0.00 64.86 64.39 1x3b h ILE 74 Cb 0.43 1.33 -0.07 0.00 -3.07 0.00 0.00 36.82 35.44 1x3b h ILE 74 CO -0.58 0.12 0.23 -0.07 -0.69 0.00 0.00 178.15 177.16 1x3b h LEU 75 N -0.07 0.23 -0.16 1.44 3.38 0.44 0.18 115.31 120.75 1x3b h LEU 75 Ca 0.02 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1x3b h LEU 75 Cb 0.18 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1x3b h LEU 75 CO -0.00 0.13 -0.29 0.11 0.09 0.00 0.00 178.44 178.48 1x3b h LYS 76 N 0.41 -0.33 0.00 1.13 1.57 0.21 0.71 116.57 120.27 1x3b h LYS 76 Ca 0.31 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1x3b h LYS 76 Cb 0.39 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1x3b h LYS 76 CO -0.31 -0.22 0.00 0.98 -0.57 0.00 0.00 179.45 179.33 1x3b n TYR 77 N -5.40 0.50 0.06 -1.35 9.36 -0.56 -0.74 117.16 119.03 1x3b n TYR 77 Ca -0.02 0.23 0.09 0.00 3.32 0.00 0.00 57.90 61.51 1x3b n TYR 77 Cb 0.31 -0.87 -0.06 0.00 -0.63 0.00 0.00 39.34 38.09 1x3b n TYR 77 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1x3b n HIS 78 N -1.99 0.71 -3.99 2.98 8.25 0.19 -4.89 115.22 116.49 1x3b n HIS 78 Ca 0.01 0.21 -0.33 0.00 -0.26 0.00 0.00 57.72 57.35 1x3b n HIS 78 Cb 0.11 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.29 1x3b n HIS 78 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x3b s ILE 79 N -3.29 5.13 0.54 1.59 1.01 0.16 -2.50 121.20 123.83 1x3b s ILE 79 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1x3b s ILE 79 Cb 0.10 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1x3b s ILE 79 CO 0.82 0.33 0.29 -0.83 0.00 0.00 0.00 174.94 175.55 1x3b s GLY 80 N -1.86 2.57 -0.37 6.18 0.00 0.42 -3.58 107.32 110.69 1x3b s GLY 80 Ca 0.25 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 44.06 1x3b s GLY 80 CO 0.17 -2.02 1.21 1.34 0.00 0.00 0.00 173.10 173.80 1x3b n ASP 81 N -1.62 5.02 0.00 1.64 2.03 -0.40 -3.45 116.55 119.76 1x3b n ASP 81 Ca -0.07 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.50 1x3b n ASP 81 Cb 0.65 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.64 0.00 -3.21 -0.67 0.28 -1.26 -4.94 120.64 110.21 1x3b n GLU 82 Ca 0.43 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 57.02 1x3b n GLU 82 Cb 0.84 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.63 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 4.98 -0.18 3.84 -1.09 -1.26 -3.32 121.20 122.17 1x3b s ILE 83 Ca 0.00 0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1x3b s ILE 83 Cb 0.00 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1x3b s ILE 83 CO 0.00 -0.26 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.03 1x3b s LEU 84 N 2.48 2.16 0.13 2.97 0.20 -1.26 -5.08 118.68 120.28 1x3b s LEU 84 Ca 0.20 -0.64 0.06 0.00 0.69 0.00 0.00 54.13 54.45 1x3b s LEU 84 Cb -0.15 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1x3b s LEU 84 CO 0.14 0.00 -0.15 0.68 -0.29 0.00 0.00 176.35 176.73 1x3b s VAL 85 N 1.28 1.43 -1.18 1.68 -7.23 -1.26 -4.88 120.40 110.24 1x3b s VAL 85 Ca 0.05 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1x3b s VAL 85 Cb -0.13 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 1x3b s VAL 85 CO -0.12 -0.40 2.29 -1.54 -0.31 0.00 0.00 175.10 175.02 1x3b n SER 86 N 0.48 4.93 -0.01 4.85 3.41 -1.26 -3.97 113.62 122.05 1x3b n SER 86 Ca -0.15 -2.60 -0.02 0.00 -0.26 0.00 0.00 58.87 55.84 1x3b n SER 86 Cb 0.57 -1.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.17 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 4.00 -0.03 2.40 5.00 0.00 -1.26 -4.89 105.19 110.41 1x3b n GLY 87 Ca 0.55 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 3.03 4.16 3.25 -0.02 0.00 -1.25 -5.04 105.19 109.31 1x3b n GLY 88 Ca -0.04 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.34 1x3b n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x3b s ILE 89 N -2.36 3.95 0.39 -0.61 -1.09 -1.26 -4.94 121.20 115.27 1x3b s ILE 89 Ca 0.40 -1.43 0.12 0.00 -2.23 0.00 0.00 60.65 57.51 1x3b s ILE 89 Cb 0.20 -3.41 0.11 0.00 -1.58 0.00 0.00 42.46 37.79 1x3b s ILE 89 CO -0.07 -0.44 1.86 1.23 -1.23 0.00 0.00 174.94 176.29 1x3b h GLY 90 N 8.30 0.04 0.00 6.18 0.00 -1.96 -3.46 103.07 112.17 1x3b h GLY 90 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1x3b h GLY 90 CO 0.70 0.03 0.00 0.00 0.00 0.00 0.00 176.54 177.27 1x3b n ALA 91 N -2.48 0.00 -2.85 3.60 0.00 -1.26 -5.05 120.51 112.47 1x3b n ALA 91 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1x3b n ALA 91 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.92 2.14 0.06 0.00 2.96 -1.26 -2.72 118.68 116.95 1x3b s LEU 92 Ca 0.00 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1x3b s LEU 92 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 1x3b s LEU 92 CO 0.00 -0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.15 1x3b s VAL 93 N -0.83 0.62 -0.39 1.68 1.01 -0.01 -5.00 120.40 117.49 1x3b s VAL 93 Ca -0.06 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 1x3b s VAL 93 Cb -0.06 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1x3b s VAL 93 CO -0.00 -0.55 0.19 -0.13 0.00 0.00 0.00 175.10 174.60 1x3b s ARG 94 N -2.40 2.49 -0.34 2.72 0.52 -1.26 -1.92 118.95 118.75 1x3b s ARG 94 Ca -0.02 -1.43 -0.22 0.00 -0.52 0.00 0.00 55.73 53.54 1x3b s ARG 94 Cb -0.04 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1x3b s ARG 94 CO -0.01 -0.87 0.70 -1.17 0.02 0.00 0.00 175.30 173.96 1x3b s LEU 95 N 1.36 4.18 -0.01 2.53 0.20 0.25 -4.87 118.68 122.31 1x3b s LEU 95 Ca 0.02 0.32 -0.30 0.00 0.69 0.00 0.00 54.13 54.86 1x3b s LEU 95 Cb -0.22 -2.90 -0.05 0.00 -0.43 0.00 0.00 46.19 42.59 1x3b s LEU 95 CO 0.01 -0.62 1.45 -0.75 -0.29 0.00 0.00 176.35 176.15 1x3b s LYS 96 N 2.84 4.26 0.62 1.98 2.20 -1.26 0.16 119.74 130.54 1x3b s LYS 96 Ca 0.28 2.01 0.07 0.00 -0.36 0.00 0.00 55.97 57.96 1x3b s LYS 96 Cb -0.14 -3.64 0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1x3b s LYS 96 CO 0.15 -0.64 0.86 0.45 -0.36 0.00 0.00 175.35 175.81 1x3b s SER 97 N 2.13 4.84 -0.15 1.43 0.15 -1.21 -1.27 113.70 119.61 1x3b s SER 97 Ca 0.65 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 1x3b s SER 97 Cb -0.32 0.24 -0.24 0.00 -1.71 0.00 0.00 66.02 63.99 1x3b s SER 97 CO 0.27 -1.53 0.57 -0.07 1.20 0.00 0.00 173.24 173.68 1x3b h LEU 98 N -0.05 0.10 -1.78 3.45 3.38 -1.68 -3.31 115.31 115.42 1x3b h LEU 98 Ca -0.31 -0.82 0.42 0.00 0.09 0.00 0.00 57.88 57.25 1x3b h LEU 98 Cb 1.28 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1x3b h LEU 98 CO 0.40 1.29 0.98 -0.61 0.09 0.00 0.00 178.44 180.59 1x3b h GLN 99 N -0.83 0.07 0.00 1.13 4.15 -1.86 -3.45 115.11 114.32 1x3b h GLN 99 Ca -0.17 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1x3b h GLN 99 Cb 1.27 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1x3b h GLN 99 CO -0.04 0.05 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 1x3b n GLY 100 N -1.72 3.69 3.76 2.39 0.00 -1.25 -5.02 105.19 107.05 1x3b n GLY 100 Ca 0.33 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 6.63 0.10 1.61 1.01 -1.26 -4.61 116.67 120.15 1x3b s ASP 101 Ca 0.00 2.74 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 1x3b s ASP 101 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1x3b s ASP 101 CO 0.00 -0.69 0.95 -0.54 0.21 0.00 0.00 175.17 175.10 1x3b s LYS 102 N -1.05 4.68 0.08 8.23 3.01 -1.26 -3.34 119.74 130.08 1x3b s LYS 102 Ca 0.55 1.42 -0.20 0.00 -1.01 0.00 0.00 55.97 56.73 1x3b s LYS 102 Cb -0.42 -3.38 -0.07 0.00 -1.01 0.00 0.00 37.83 32.95 1x3b s LYS 102 CO 0.49 0.20 0.60 -0.51 0.51 0.00 0.00 175.35 176.65 1x3b s LEU 103 N 0.05 4.53 -0.19 3.17 1.43 0.42 -4.87 118.68 123.23 1x3b s LEU 103 Ca 0.47 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.77 1x3b s LEU 103 Cb -0.23 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1x3b s LEU 103 CO 0.29 0.25 0.16 -1.61 0.23 0.00 0.00 176.35 175.67 1x3b s GLU 104 N -1.03 4.15 -0.04 1.70 2.02 -1.26 0.84 118.70 125.08 1x3b s GLU 104 Ca 0.30 -0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.11 1x3b s GLU 104 Cb -0.20 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.66 1x3b s GLU 104 CO 0.20 0.32 0.08 0.08 0.02 0.00 0.00 175.26 175.96 1x3b s VAL 105 N 0.28 -0.10 0.37 2.63 1.01 -0.81 -1.08 120.40 122.70 1x3b s VAL 105 Ca 0.10 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 105 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1x3b s VAL 105 CO -0.01 0.12 0.17 -0.94 0.00 0.00 0.00 175.10 174.44 1x3b s SER 106 N 1.60 2.33 -0.22 3.32 1.04 -1.13 -0.83 113.70 119.80 1x3b s SER 106 Ca -0.03 -1.67 -0.03 0.00 0.48 0.00 0.00 55.95 54.69 1x3b s SER 106 Cb -0.12 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.59 1x3b s SER 106 CO -0.04 -0.95 0.23 -0.22 0.98 0.00 0.00 173.24 173.24 1x3b s LEU 107 N -3.52 -0.09 0.02 2.42 2.96 -1.10 -2.76 118.68 116.62 1x3b s LEU 107 Ca 0.29 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1x3b s LEU 107 Cb 0.03 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 47.07 1x3b s LEU 107 CO 0.18 -0.34 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.24 1x3b s LYS 108 N 2.32 0.60 -1.73 1.98 1.02 -0.18 -4.73 119.74 119.02 1x3b s LYS 108 Ca 0.07 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1x3b s LYS 108 Cb -0.15 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 1x3b s LYS 108 CO -0.17 0.12 0.00 0.09 -0.92 0.00 0.00 175.35 174.48 1x3b n ASN 109 N 2.16 -4.63 -0.07 2.83 3.02 -1.26 0.16 115.26 117.47 1x3b n ASN 109 Ca -0.18 0.40 -0.01 0.00 -0.03 0.00 0.00 54.58 54.77 1x3b n ASN 109 Cb 0.56 -4.07 -0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1x3b n ASN 110 N -0.94 -3.40 -4.64 6.41 2.85 -1.26 -5.01 115.26 109.26 1x3b n ASN 110 Ca -0.16 0.02 -0.35 0.00 -0.11 0.00 0.00 54.58 53.99 1x3b n ASN 110 Cb 0.56 -0.99 -0.10 0.00 1.24 0.00 0.00 39.78 40.49 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x3b s VAL 111 N -1.94 4.20 -0.06 3.44 1.01 0.43 -5.11 120.40 122.37 1x3b s VAL 111 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1x3b s VAL 111 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1x3b s VAL 111 CO 0.00 0.58 0.15 -0.69 0.00 0.00 0.00 175.10 175.14 1x3b s VAL 112 N -0.65 5.33 0.05 2.92 1.01 -1.26 -1.01 120.40 126.80 1x3b s VAL 112 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1x3b s VAL 112 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1x3b s VAL 112 CO 0.02 0.46 -0.08 -0.44 0.00 0.00 0.00 175.10 175.06 1x3b s SER 113 N -1.50 0.92 -0.23 3.32 0.01 -1.11 -2.82 113.70 112.29 1x3b s SER 113 Ca 0.21 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 1x3b s SER 113 Cb -0.12 0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.23 1x3b s SER 113 CO 0.11 -0.24 0.10 0.54 0.41 0.00 0.00 173.24 174.16 1x3b s VAL 114 N -1.72 0.10 -0.50 3.43 0.11 -0.17 -2.85 120.40 118.79 1x3b s VAL 114 Ca -0.07 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1x3b s VAL 114 Cb -0.08 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1x3b s VAL 114 CO -0.00 -0.46 0.00 0.59 -3.33 0.00 0.00 175.10 171.89 1x3b n ASN 115 N 5.20 -2.57 -0.57 3.54 3.02 -0.24 -2.60 115.26 121.04 1x3b n ASN 115 Ca -0.07 0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.45 1x3b n ASN 115 Cb 0.46 -1.70 -0.01 0.00 -0.61 0.00 0.00 39.78 37.92 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 -1.76 -0.42 -4.89 3.52 5.02 -1.26 -5.03 118.16 113.33 1x3b n LYS 116 Ca -0.07 0.38 -0.30 0.00 -2.02 0.00 0.00 58.31 56.31 1x3b n LYS 116 Cb 0.49 -4.16 -0.15 0.00 -0.02 0.00 0.00 35.03 31.19 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 -3.79 1.76 0.15 1.97 0.41 -1.07 -5.11 118.70 113.01 1x3b s GLU 117 Ca 0.00 -1.08 -0.30 0.00 -0.41 0.00 0.00 54.97 53.18 1x3b s GLU 117 Cb 0.00 -1.91 -0.07 0.00 -1.78 0.00 0.00 34.13 30.37 1x3b s GLU 117 CO 0.00 0.50 1.13 -1.25 -0.49 0.00 0.00 175.26 175.15 1x3b s PRO 118 N -1.19 4.54 0.23 0.39 0.04 -1.26 -1.00 135.00 136.75 1x3b s PRO 118 Ca 0.11 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1x3b s PRO 118 Cb -0.10 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 1x3b s PRO 118 CO 0.02 -0.02 0.55 0.08 0.04 0.00 0.00 177.00 177.66 1x3b s VAL 119 N 0.09 4.93 -0.04 -0.36 1.01 -1.13 -3.01 120.40 121.90 1x3b s VAL 119 Ca 0.52 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.97 1x3b s VAL 119 Cb -0.30 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1x3b s VAL 119 CO 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 175.10 175.36 1x3b h ALA 120 N 2.56 0.00 -2.03 5.51 0.00 0.25 -3.45 119.26 122.11 1x3b h ALA 120 Ca -0.47 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 53.98 1x3b h ALA 120 Cb 1.17 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 1x3b h ALA 120 CO 0.69 0.02 -0.74 -1.21 0.00 0.00 0.00 179.25 178.02 1x3b s GLU 121 N -1.22 0.70 1.12 0.00 0.41 -1.06 -4.99 118.70 113.66 1x3b s GLU 121 Ca -0.01 -1.12 -0.19 0.00 -0.41 0.00 0.00 54.97 53.25 1x3b s GLU 121 Cb 0.00 -0.85 0.27 0.00 -1.78 0.00 0.00 34.13 31.77 1x3b s GLU 121 CO 0.01 -1.24 1.24 -1.25 -0.49 0.00 0.00 175.26 173.53 1x3b s PRO 122 N 1.14 -0.62 -0.51 0.39 0.04 -1.26 -3.24 135.00 130.95 1x3b s PRO 122 Ca 0.20 -0.37 -0.00 0.00 0.04 0.00 0.00 61.00 60.87 1x3b s PRO 122 Cb -0.13 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1x3b s PRO 122 CO -0.04 -3.26 0.43 -3.47 0.04 0.00 0.00 177.00 170.70 1x3b n ASP 123 N -4.37 -2.25 -4.30 6.66 2.03 -1.23 -4.94 116.55 108.14 1x3b n ASP 123 Ca 0.16 -0.25 -0.46 0.00 0.52 0.00 0.00 54.79 54.76 1x3b n ASP 123 Cb 0.59 -2.42 -0.04 0.00 -0.72 0.00 0.00 41.12 38.54 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 -3.15 5.31 0.02 5.18 1.01 -0.33 -4.97 121.20 124.27 1x3b s ILE 124 Ca 0.03 -2.23 -0.30 0.00 0.00 0.00 0.00 60.65 58.15 1x3b s ILE 124 Cb -0.01 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 1x3b s ILE 124 CO 0.30 -0.97 1.31 -0.04 0.00 0.00 0.00 174.94 175.54 1x3b s MET 125 N 0.56 4.34 0.02 2.79 -1.94 -1.26 0.09 119.30 123.90 1x3b s MET 125 Ca 0.14 1.87 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 1x3b s MET 125 Cb -0.17 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1x3b s MET 125 CO -0.05 -0.45 0.02 0.00 -0.01 0.00 0.00 175.02 174.53 1x3b n ALA 126 N 4.76 0.03 0.95 3.03 0.00 -0.05 -4.95 120.51 124.29 1x3b n ALA 126 Ca 0.11 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1x3b n ALA 126 Cb 0.45 0.03 0.31 0.00 0.00 0.00 0.00 19.45 20.24 1x3b n ALA 126 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3b n THR 127 N -0.69 0.26 -2.67 0.00 5.66 -1.15 -4.38 114.28 111.32 1x3b n THR 127 Ca 0.00 -0.47 -0.04 0.00 -3.05 0.00 0.00 64.05 60.48 1x3b n THR 127 Cb 0.02 0.67 0.03 0.00 -1.55 0.00 0.00 70.33 69.50 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x3b n ASN 128 N 0.76 -1.31 0.00 1.09 6.94 -1.26 -4.90 115.26 116.58 1x3b n ASN 128 Ca 0.17 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 1x3b n ASN 128 Cb 0.44 1.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.91 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 -0.38 0.67 3.24 4.83 0.00 -1.25 -4.09 105.19 108.21 1x3b n GLY 129 Ca -0.20 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.90 0.22 0.07 1.61 0.11 -1.23 -0.87 120.40 117.41 1x3b s VAL 130 Ca 0.00 -2.00 -0.09 0.00 -2.93 0.00 0.00 61.98 56.96 1x3b s VAL 130 Cb 0.00 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1x3b s VAL 130 CO 0.00 -0.02 0.19 -0.69 -3.33 0.00 0.00 175.10 171.26 1x3b s VAL 131 N -4.00 0.13 -0.29 2.04 1.01 0.11 -3.22 120.40 116.19 1x3b s VAL 131 Ca 0.38 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1x3b s VAL 131 Cb 0.07 -1.16 0.13 0.00 0.00 0.00 0.00 36.38 35.42 1x3b s VAL 131 CO 0.12 -0.59 0.25 -1.00 0.00 0.00 0.00 175.10 173.88 1x3b s HIS 132 N -3.31 -0.23 0.22 5.22 3.76 -0.71 -1.18 115.29 119.06 1x3b s HIS 132 Ca 0.01 -0.39 -0.32 0.00 -0.15 0.00 0.00 55.06 54.20 1x3b s HIS 132 Cb 0.02 -0.59 -0.12 0.00 1.11 0.00 0.00 32.58 33.00 1x3b s HIS 132 CO -0.08 -0.90 1.63 0.28 -0.85 0.00 0.00 174.74 174.82 1x3b n VAL 133 N 5.28 0.36 -3.79 -0.90 0.31 -1.20 -3.50 118.33 114.88 1x3b n VAL 133 Ca -0.03 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 63.98 1x3b n VAL 133 Cb 0.45 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.69 2.42 -0.23 2.52 -4.36 0.03 0.22 121.20 122.50 1x3b s ILE 134 Ca 0.72 -1.48 0.10 0.00 -0.26 0.00 0.00 60.65 59.74 1x3b s ILE 134 Cb -0.56 -2.90 0.44 0.00 1.25 0.00 0.00 42.46 40.69 1x3b s ILE 134 CO 0.39 0.00 1.27 0.35 0.24 0.00 0.00 174.94 177.19 1x3b n THR 135 N -1.47 2.29 0.00 8.37 -2.24 -1.16 -2.37 114.28 117.70 1x3b n THR 135 Ca 0.01 -3.20 0.00 0.00 -2.27 0.00 0.00 64.05 58.60 1x3b n THR 135 Cb 0.63 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -1.11 0.00 -4.60 3.42 3.02 -1.26 -4.75 115.26 109.98 1x3b n ASN 136 Ca 0.23 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.35 1x3b n ASN 136 Cb 0.76 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x3b s VAL 137 N -2.00 4.19 0.98 2.41 1.01 -1.26 -4.67 120.40 121.05 1x3b s VAL 137 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 1x3b s VAL 137 Cb 0.00 -4.55 0.18 0.00 0.00 0.00 0.00 36.38 32.01 1x3b s VAL 137 CO 0.00 -0.96 1.09 -0.76 0.00 0.00 0.00 175.10 174.48 1x3b s LEU 138 N 4.52 2.10 0.03 3.92 1.43 -1.26 -5.06 118.68 124.38 1x3b s LEU 138 Ca 0.49 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1x3b s LEU 138 Cb -0.08 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 1x3b s LEU 138 CO 0.31 -3.32 0.05 -1.10 0.23 0.00 0.00 176.35 172.53 1x3b s GLN 139 N -4.65 0.53 0.28 1.70 -0.21 -1.26 -5.07 119.66 110.97 1x3b s GLN 139 Ca 0.66 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.97 1x3b s GLN 139 Cb -0.22 0.20 -0.09 0.00 1.00 0.00 0.00 33.01 33.89 1x3b s GLN 139 CO 0.60 -0.12 1.08 -1.25 -2.12 0.00 0.00 175.29 173.48 1x3b s PRO 140 N -2.51 4.66 0.56 2.91 0.04 -1.26 -4.81 135.00 134.59 1x3b s PRO 140 Ca -0.06 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1x3b s PRO 140 Cb -0.02 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1x3b s PRO 140 CO -0.04 0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.69 1x3b n SER 141 N 1.20 -7.19 -4.18 6.66 2.88 -1.26 -4.85 113.62 106.89 1x3b n SER 141 Ca -0.01 1.41 -0.35 0.00 -1.33 0.00 0.00 58.87 58.59 1x3b n SER 141 Cb 0.45 -4.49 0.08 0.00 -0.75 0.00 0.00 64.21 59.50 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 -3.76 -3.38 0.09 0.46 0.00 -1.26 -4.93 105.19 92.41 1x3b n GLY 142 Ca -0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.29 -0.08 -5.65 1.61 0.13 -1.93 -3.44 132.00 121.35 1x3b h PRO 143 Ca -0.44 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 1x3b h PRO 143 Cb 1.31 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1x3b h PRO 143 CO 0.28 0.53 1.52 0.45 -0.23 0.00 0.00 178.00 180.54 1x3b n SER 144 N -4.79 1.17 -4.57 1.44 2.88 -1.26 -4.76 113.62 103.72 1x3b n SER 144 Ca -0.08 0.32 -0.52 0.00 -1.33 0.00 0.00 58.87 57.27 1x3b n SER 144 Cb 0.31 -1.08 -0.06 0.00 -0.75 0.00 0.00 64.21 62.64 1x3b n SER 144 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x3b n SER 145 N 9.98 1.35 0.00 -3.46 7.64 -1.26 -5.19 113.62 122.67 1x3b n SER 145 Ca 0.53 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1x3b n SER 145 Cb 0.12 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64