#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b n SER 2 N 0.00 1.94 -3.66 1.61 3.41 -1.26 -5.02 113.62 110.64 1x3b n SER 2 Ca 0.00 0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.88 1x3b n SER 2 Cb 0.00 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.10 1x3b n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3b s SER 3 N -6.40 -0.64 0.00 4.04 1.04 -1.26 -5.13 113.70 105.36 1x3b s SER 3 Ca -0.32 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1x3b s SER 3 Cb 0.07 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1x3b s SER 3 CO 0.44 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1x3b n GLY 4 N 4.86 3.76 2.54 7.32 0.00 -1.26 -5.09 105.19 117.33 1x3b n GLY 4 Ca -0.16 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 3.37 0.28 1.61 0.01 -1.26 -4.95 113.70 112.76 1x3b s SER 5 Ca 0.00 -1.79 -0.30 0.00 1.31 0.00 0.00 55.95 55.18 1x3b s SER 5 Cb 0.00 -0.48 -0.10 0.00 0.21 0.00 0.00 66.02 65.65 1x3b s SER 5 CO 0.00 -0.37 1.43 -0.44 0.41 0.00 0.00 173.24 174.27 1x3b s SER 6 N 1.51 6.62 0.00 2.44 0.01 -1.26 -4.77 113.70 118.25 1x3b s SER 6 Ca 0.13 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.12 1x3b s SER 6 Cb -0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1x3b s SER 6 CO -0.18 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1x3b n GLY 7 N 1.81 -0.94 1.39 3.44 0.00 -1.26 -5.13 105.19 104.49 1x3b n GLY 7 Ca 0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1x3b n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x3b n MET 8 N 0.00 -3.81 -3.77 1.61 0.00 -1.26 -5.00 117.12 104.88 1x3b n MET 8 Ca 0.00 2.76 -0.29 0.00 0.00 0.00 0.00 57.70 60.17 1x3b n MET 8 Cb 0.00 -3.01 -0.16 0.00 0.00 0.00 0.00 33.22 30.05 1x3b n MET 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1x3b s GLY 9 N -1.54 1.03 0.79 3.03 0.00 -1.26 -5.04 107.32 104.32 1x3b s GLY 9 Ca 0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 1x3b s GLY 9 CO 0.00 1.44 1.17 -0.51 0.00 0.00 0.00 173.10 175.20 1x3b s THR 10 N 1.63 2.40 0.15 0.90 -4.23 -1.26 -3.93 115.64 111.30 1x3b s THR 10 Ca 0.04 0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.47 1x3b s THR 10 Cb -0.17 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1x3b s THR 10 CO -0.17 -0.13 1.36 0.55 -0.54 0.00 0.00 174.62 175.68 1x3b n VAL 11 N -3.25 -0.58 -0.09 2.29 3.14 -1.26 0.19 118.33 118.78 1x3b n VAL 11 Ca 0.12 2.12 -0.07 0.00 -2.96 0.00 0.00 64.34 63.55 1x3b n VAL 11 Cb 0.51 -2.65 0.00 0.00 -1.06 0.00 0.00 33.84 30.65 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 0.24 -0.29 1.45 2.86 -1.90 -2.34 114.93 114.95 1x3b h MET 12 Ca 0.17 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1x3b h MET 12 Cb 0.39 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1x3b h MET 12 CO -0.83 0.16 0.03 -0.44 1.06 0.00 0.00 176.91 176.89 1x3b h ASP 13 N 0.25 -0.05 -1.47 1.22 3.32 0.02 0.17 116.42 119.88 1x3b h ASP 13 Ca 0.14 0.06 0.43 0.00 0.02 0.00 0.00 57.03 57.67 1x3b h ASP 13 Cb 0.10 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1x3b h ASP 13 CO -0.14 0.01 1.08 0.58 -1.72 0.00 0.00 179.24 179.05 1x3b h VAL 14 N 0.12 0.23 0.14 -1.35 2.07 0.26 1.35 116.25 119.07 1x3b h VAL 14 Ca 0.14 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.37 1x3b h VAL 14 Cb 0.17 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1x3b h VAL 14 CO -0.21 0.00 -1.48 -0.07 0.02 0.00 0.00 177.57 175.83 1x3b h LEU 15 N 0.00 0.45 -0.47 2.57 3.38 -0.59 -3.16 115.31 117.49 1x3b h LEU 15 Ca 0.70 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x3b h LEU 15 Cb 2.86 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 43.43 1x3b h LEU 15 CO -0.01 1.66 0.30 0.11 0.09 0.00 0.00 178.44 180.58 1x3b h LYS 16 N -0.19 0.58 0.17 1.13 1.57 0.30 -2.84 116.57 117.29 1x3b h LYS 16 Ca -0.31 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1x3b h LYS 16 Cb 1.85 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 34.00 1x3b h LYS 16 CO 0.10 0.38 -0.26 0.78 -0.57 0.00 0.00 179.45 179.88 1x3b h GLY 17 N 0.60 -0.52 -4.49 3.86 0.00 0.78 -3.41 103.07 99.89 1x3b h GLY 17 Ca 0.18 0.30 -0.53 0.00 0.00 0.00 0.00 47.33 47.28 1x3b h GLY 17 CO -0.06 -0.23 0.65 0.99 0.00 0.00 0.00 176.54 177.89 1x3b s ASP 18 N -4.79 6.93 0.15 0.19 1.01 -1.07 -4.91 116.67 114.19 1x3b s ASP 18 Ca -0.16 2.21 -0.00 0.00 0.71 0.00 0.00 52.55 55.31 1x3b s ASP 18 Cb 0.07 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1x3b s ASP 18 CO 0.65 -0.57 1.35 0.78 0.21 0.00 0.00 175.17 177.59 1x3b h ASN 19 N 6.67 0.38 -0.97 0.27 4.21 -1.79 -3.20 115.58 121.14 1x3b h ASN 19 Ca -0.42 -0.30 0.30 0.00 1.21 0.00 0.00 56.30 57.09 1x3b h ASN 19 Cb 1.21 -0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 38.15 1x3b h ASN 19 CO 0.84 1.10 0.46 0.03 -1.29 0.00 0.00 177.43 178.57 1x3b h ARG 20 N 0.16 0.26 -2.19 0.81 2.47 -1.91 0.37 114.38 114.36 1x3b h ARG 20 Ca -0.06 -0.02 -0.71 0.00 -1.26 0.00 0.00 59.98 57.94 1x3b h ARG 20 Cb 1.53 -0.06 -0.34 0.00 -1.65 0.00 0.00 29.97 29.45 1x3b h ARG 20 CO 0.15 0.17 0.27 1.19 0.56 0.00 0.00 179.97 182.30 1x3b n PHE 21 N -5.12 3.34 -0.09 3.04 3.72 -1.21 -4.23 117.46 116.91 1x3b n PHE 21 Ca 0.29 -3.13 -0.14 0.00 -0.05 0.00 0.00 57.45 54.42 1x3b n PHE 21 Cb 0.91 -0.84 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 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 3.51 0.00 -0.87 4.37 4.64 -1.05 -3.30 113.55 120.85 1x3b h SER 22 Ca 0.37 -0.33 0.14 0.00 -0.47 0.00 0.00 61.79 61.50 1x3b h SER 22 Cb 0.41 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.41 1x3b h SER 22 CO 1.04 1.14 0.47 0.24 -0.87 0.00 0.00 176.83 178.85 1x3b h MET 23 N -1.00 0.68 0.38 4.77 2.86 -1.84 -1.97 114.93 118.81 1x3b h MET 23 Ca -0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1x3b h MET 23 Cb 0.92 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1x3b h MET 23 CO -0.11 0.45 -0.50 1.25 1.06 0.00 0.00 176.91 179.06 1x3b h LEU 24 N 0.70 -1.42 -0.78 1.22 5.85 -1.91 -2.16 115.31 116.80 1x3b h LEU 24 Ca 0.46 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.43 1x3b h LEU 24 Cb 0.60 0.49 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 1x3b h LEU 24 CO -0.33 -0.63 -0.36 0.58 -0.34 0.00 0.00 178.44 177.36 1x3b h VAL 25 N -0.92 0.09 -1.05 1.05 2.07 -1.46 1.48 116.25 117.51 1x3b h VAL 25 Ca -0.04 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.81 1x3b h VAL 25 Cb 0.83 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 1x3b h VAL 25 CO -0.13 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.08 1x3b h ALA 26 N 1.17 2.11 -0.34 1.67 0.00 -0.86 1.38 119.26 124.38 1x3b h ALA 26 Ca 0.28 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1x3b h ALA 26 Cb 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x3b h ALA 26 CO -0.83 -0.70 -0.01 0.00 0.00 0.00 0.00 179.25 177.71 1x3b h ALA 27 N 1.79 0.47 -0.02 0.00 0.00 0.26 0.85 119.26 122.60 1x3b h ALA 27 Ca 0.74 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1x3b h ALA 27 Cb 1.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1x3b h ALA 27 CO -0.55 0.24 0.01 0.82 0.00 0.00 0.00 179.25 179.77 1x3b h ILE 28 N 0.42 1.13 -0.04 0.00 2.04 0.27 0.54 117.51 121.87 1x3b h ILE 28 Ca 0.10 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1x3b h ILE 28 Cb 0.47 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1x3b h ILE 28 CO 0.02 0.10 -0.15 -0.61 0.00 0.00 0.00 178.15 177.51 1x3b h GLN 29 N -0.11 -0.22 -0.67 2.37 -0.00 0.42 0.87 115.11 117.76 1x3b h GLN 29 Ca 0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1x3b h GLN 29 Cb 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.65 1x3b h GLN 29 CO -0.00 -0.15 0.31 1.03 0.00 0.00 0.00 178.83 180.02 1x3b h SER 30 N -0.23 0.87 0.34 -0.69 0.87 -0.71 -1.25 113.55 112.75 1x3b h SER 30 Ca 0.06 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 1x3b h SER 30 Cb 0.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1x3b h SER 30 CO -0.17 0.75 -0.41 0.00 -0.53 0.00 0.00 176.83 176.47 1x3b h ALA 31 N 1.39 1.24 -0.29 6.23 0.00 0.10 -3.47 119.26 124.46 1x3b h ALA 31 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x3b h ALA 31 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x3b h ALA 31 CO -0.03 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1x3b n GLY 32 N -0.29 0.87 0.04 0.00 0.00 0.29 -4.91 105.19 101.20 1x3b n GLY 32 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.15 0.00 -0.28 0.99 4.77 -0.44 -4.46 117.00 117.43 1x3b n LEU 33 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1x3b n LEU 33 Cb 0.37 0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.75 1x3b n LEU 33 CO 0.00 0.19 0.70 0.74 -1.33 0.00 0.00 177.39 177.69 1x3b h THR 34 N 0.00 0.18 0.18 -5.08 2.02 -1.87 0.38 112.91 108.73 1x3b h THR 34 Ca -0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1x3b h THR 34 Cb 1.43 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1x3b h THR 34 CO 0.01 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.35 1x3b h GLU 35 N -0.00 -0.44 -0.74 6.66 5.08 -1.92 0.46 114.58 123.68 1x3b h GLU 35 Ca 0.39 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.93 1x3b h GLU 35 Cb 0.59 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1x3b h GLU 35 CO -0.84 -0.30 0.50 1.15 -1.00 0.00 0.00 179.01 178.52 1x3b h THR 36 N -0.46 0.79 -0.19 1.13 2.02 -1.02 1.24 112.91 116.41 1x3b h THR 36 Ca 0.01 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1x3b h THR 36 Cb 0.45 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1x3b h THR 36 CO -0.08 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.06 1x3b n LEU 37 N -4.47 1.92 -0.02 2.58 4.77 0.11 -3.51 117.00 118.38 1x3b n LEU 37 Ca 0.14 -0.80 0.07 0.00 -0.03 0.00 0.00 56.01 55.39 1x3b n LEU 37 Cb 0.54 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1x3b n LEU 37 CO 0.33 0.40 -0.81 -3.20 -1.33 0.00 0.00 177.39 172.78 1x3b n ASN 38 N 0.49 0.36 -4.86 -1.43 2.85 0.41 -4.29 115.26 108.79 1x3b n ASN 38 Ca 0.16 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.32 1x3b n ASN 38 Cb 0.37 1.75 -0.05 0.00 1.24 0.00 0.00 39.78 43.09 1x3b n ASN 38 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x3b s ARG 39 N -3.24 3.91 0.80 1.20 1.70 -0.30 -5.04 118.95 117.98 1x3b s ARG 39 Ca -0.08 0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 55.62 1x3b s ARG 39 Cb 0.12 -2.41 0.04 0.00 -0.57 0.00 0.00 34.95 32.13 1x3b s ARG 39 CO 0.83 0.08 0.94 -0.85 -1.08 0.00 0.00 175.30 175.22 1x3b n GLU 40 N -0.76 0.18 0.00 3.89 0.28 -1.26 -4.80 120.64 118.18 1x3b n GLU 40 Ca 0.03 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1x3b n GLU 40 Cb 0.53 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x3b n GLY 41 N 0.95 0.44 3.53 -1.84 0.00 -1.25 -5.09 105.19 101.93 1x3b n GLY 41 Ca 0.12 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.78 -0.01 -0.25 1.61 -7.23 -1.21 -4.12 120.40 107.40 1x3b s VAL 42 Ca 0.00 0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1x3b s VAL 42 Cb 0.00 -0.89 0.12 0.00 0.56 0.00 0.00 36.38 36.17 1x3b s VAL 42 CO 0.00 0.01 0.52 -0.31 -0.31 0.00 0.00 175.10 175.01 1x3b s TYR 43 N 1.38 -1.08 -0.60 2.82 2.02 -1.26 -3.98 117.35 116.65 1x3b s TYR 43 Ca -0.08 1.77 -0.22 0.00 -0.37 0.00 0.00 57.07 58.16 1x3b s TYR 43 Cb -0.06 0.48 0.06 0.00 -0.40 0.00 0.00 41.96 42.05 1x3b s TYR 43 CO -0.15 -0.62 0.87 0.99 -1.57 0.00 0.00 175.55 175.08 1x3b s THR 44 N 2.74 4.49 0.19 -0.71 2.01 -1.20 -3.65 115.64 119.50 1x3b s THR 44 Ca 0.01 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1x3b s THR 44 Cb -0.13 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 1x3b s THR 44 CO -0.16 -1.23 0.19 -0.69 -0.69 0.00 0.00 174.62 172.04 1x3b s VAL 45 N 3.64 4.68 -0.19 3.82 1.01 -1.23 0.11 120.40 132.24 1x3b s VAL 45 Ca 0.22 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1x3b s VAL 45 Cb -0.17 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1x3b s VAL 45 CO 0.12 -0.18 -0.03 -0.36 0.00 0.00 0.00 175.10 174.66 1x3b s PHE 46 N -1.85 1.65 -0.27 5.22 0.08 -0.98 -1.97 117.98 119.85 1x3b s PHE 46 Ca 0.32 -1.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.15 1x3b s PHE 46 Cb -0.10 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1x3b s PHE 46 CO 0.25 -0.64 0.09 0.00 -0.10 0.00 0.00 175.22 174.82 1x3b s ALA 47 N 1.65 3.16 1.12 5.36 0.00 -1.24 -4.81 121.76 126.99 1x3b s ALA 47 Ca -0.01 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 1x3b s ALA 47 Cb -0.16 -2.16 0.25 0.00 0.00 0.00 0.00 23.12 21.05 1x3b s ALA 47 CO -0.07 -0.67 1.13 -0.35 0.00 0.00 0.00 175.76 175.80 1x3b n PRO 48 N 4.92 -2.10 -2.29 0.00 -0.04 -1.26 -0.57 135.00 133.67 1x3b n PRO 48 Ca -0.15 -1.78 -0.26 0.00 -0.04 0.00 0.00 63.50 61.27 1x3b n PRO 48 Cb 0.50 -1.40 0.15 0.00 -0.04 0.00 0.00 33.50 32.71 1x3b n PRO 48 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x3b s THR 49 N -3.29 2.06 0.09 0.52 -4.23 -0.97 -4.73 115.64 105.09 1x3b s THR 49 Ca 0.68 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1x3b s THR 49 Cb -0.04 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1x3b s THR 49 CO 0.50 0.00 1.42 -1.13 -0.54 0.00 0.00 174.62 174.87 1x3b h ASN 50 N -1.06 0.70 0.43 3.99 -1.24 -1.95 -2.50 115.58 113.95 1x3b h ASN 50 Ca -0.40 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.14 1x3b h ASN 50 Cb 1.25 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1x3b h ASN 50 CO 0.38 1.02 0.00 -0.33 -1.29 0.00 0.00 177.43 177.22 1x3b h GLU 51 N 0.39 0.00 0.57 6.67 4.39 -1.94 -2.17 114.58 122.48 1x3b h GLU 51 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1x3b h GLU 51 Cb 0.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1x3b h GLU 51 CO 0.07 0.00 -0.27 0.00 -1.16 0.00 0.00 179.01 177.64 1x3b h ALA 52 N 2.07 -0.76 -0.55 3.43 0.00 -1.76 -2.44 119.26 119.25 1x3b h ALA 52 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1x3b h ALA 52 Cb 0.22 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1x3b h ALA 52 CO 0.00 -0.76 0.18 0.74 0.00 0.00 0.00 179.25 179.41 1x3b h PHE 53 N -1.09 0.82 0.00 0.00 -1.00 -1.50 -1.23 116.94 112.94 1x3b h PHE 53 Ca -0.08 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 1x3b h PHE 53 Cb 0.64 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1x3b h PHE 53 CO 0.01 0.66 -0.00 0.00 -1.61 0.00 0.00 178.31 177.36 1x3b h ARG 54 N 0.79 0.00 0.08 1.51 3.08 -1.38 0.19 114.38 118.65 1x3b h ARG 54 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.98 1x3b h ARG 54 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1x3b h ARG 54 CO -0.01 0.00 -1.12 0.00 -1.07 0.00 0.00 179.97 177.77 1x3b h ALA 55 N 2.00 0.20 -2.46 0.04 0.00 -0.71 -3.45 119.26 114.87 1x3b h ALA 55 Ca -0.00 -0.79 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 1x3b h ALA 55 Cb 0.01 0.01 0.12 0.00 0.00 0.00 0.00 17.79 17.93 1x3b h ALA 55 CO 0.00 0.86 0.37 1.28 0.00 0.00 0.00 179.25 181.76 1x3b n LEU 56 N -3.67 3.18 -4.77 0.00 4.77 0.05 -4.97 117.00 111.59 1x3b n LEU 56 Ca -0.09 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 1x3b n LEU 56 Cb 0.94 -1.43 0.19 0.00 -2.33 0.00 0.00 43.42 40.78 1x3b n LEU 56 CO 0.53 -0.88 0.74 -2.16 -1.33 0.00 0.00 177.39 174.30 1x3b s PRO 57 N -1.93 0.20 0.27 3.23 0.04 -1.26 -4.88 135.00 130.68 1x3b s PRO 57 Ca 0.59 -0.06 0.25 0.00 0.04 0.00 0.00 61.00 61.82 1x3b s PRO 57 Cb -0.57 -1.76 0.90 0.00 0.04 0.00 0.00 34.50 33.10 1x3b s PRO 57 CO 0.60 -2.76 1.75 -1.00 0.04 0.00 0.00 177.00 175.63 1x3b h PRO 58 N -1.90 0.00 0.00 0.56 0.13 -1.98 -2.08 132.00 126.74 1x3b h PRO 58 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1x3b h PRO 58 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1x3b h PRO 58 CO 0.45 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.82 1x3b h ARG 59 N 0.00 0.00 0.00 0.86 3.08 -2.00 -3.26 114.38 113.06 1x3b h ARG 59 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x3b h ARG 59 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1x3b h ARG 59 CO 0.00 0.46 0.00 1.49 -1.07 0.00 0.00 179.97 180.85 1x3b h GLU 60 N -1.00 0.00 0.00 0.04 4.81 -1.94 -2.01 114.58 114.48 1x3b h GLU 60 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1x3b h GLU 60 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1x3b h GLU 60 CO -0.05 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.10 1x3b n ARG 61 N -2.42 0.00 0.31 1.92 0.63 -0.78 -3.11 116.66 113.21 1x3b n ARG 61 Ca 0.00 0.32 0.18 0.00 -0.92 0.00 0.00 57.85 57.43 1x3b n ARG 61 Cb 0.16 -1.06 0.94 0.00 0.45 0.00 0.00 32.46 32.96 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 -0.41 6.15 0.87 -1.59 0.51 113.55 119.07 1x3b h SER 62 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x3b h SER 62 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1x3b h SER 62 CO 0.00 0.00 0.27 0.03 -0.53 0.00 0.00 176.83 176.60 1x3b h ARG 63 N 0.00 0.55 0.01 2.24 3.08 -1.38 0.77 114.38 119.64 1x3b h ARG 63 Ca 0.00 -0.03 -0.40 0.00 0.07 0.00 0.00 59.98 59.61 1x3b h ARG 63 Cb 0.33 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1x3b h ARG 63 CO 0.00 0.36 -2.28 1.28 -1.07 0.00 0.00 179.97 178.26 1x3b n LEU 64 N -4.80 2.24 0.27 3.04 4.77 -0.25 -3.14 117.00 119.14 1x3b n LEU 64 Ca 0.01 0.23 0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1x3b n LEU 64 Cb 0.02 -0.89 0.72 0.00 -2.33 0.00 0.00 43.42 40.94 1x3b n LEU 64 CO 0.35 0.64 1.08 -0.07 -1.33 0.00 0.00 177.39 178.06 1x3b h LEU 65 N -0.67 0.00 0.00 2.23 3.38 -0.15 -3.34 115.31 116.76 1x3b h LEU 65 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x3b h LEU 65 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1x3b h LEU 65 CO -0.27 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.87 1x3b n GLY 66 N -1.47 1.17 3.66 0.83 0.00 0.27 -4.85 105.19 104.80 1x3b n GLY 66 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 6.43 0.17 1.61 1.01 -1.17 -4.86 116.67 118.87 1x3b s ASP 67 Ca 0.00 2.57 -0.08 0.00 0.71 0.00 0.00 52.55 55.76 1x3b s ASP 67 Cb 0.00 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1x3b s ASP 67 CO 0.00 -1.08 1.52 0.00 0.21 0.00 0.00 175.17 175.83 1x3b h ALA 68 N 10.66 0.68 -0.21 5.23 0.00 -1.87 -1.24 119.26 132.51 1x3b h ALA 68 Ca -0.48 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.04 1x3b h ALA 68 Cb 1.23 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1x3b h ALA 68 CO 0.94 0.67 -0.46 0.87 0.00 0.00 0.00 179.25 181.27 1x3b h LYS 69 N 0.69 -0.46 0.00 0.00 1.79 -1.91 0.58 116.57 117.27 1x3b h LYS 69 Ca 0.06 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1x3b h LYS 69 Cb 0.93 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1x3b h LYS 69 CO 0.09 -0.30 -0.32 0.93 -1.08 0.00 0.00 179.45 178.77 1x3b h GLU 70 N -0.47 0.00 0.47 3.15 5.08 -1.83 -1.46 114.58 119.52 1x3b h GLU 70 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1x3b h GLU 70 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1x3b h GLU 70 CO -0.46 0.32 -0.23 1.25 -1.00 0.00 0.00 179.01 178.89 1x3b h LEU 71 N 0.00 -0.54 -0.65 1.33 6.46 0.54 -2.31 115.31 120.15 1x3b h LEU 71 Ca -0.00 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1x3b h LEU 71 Cb 0.58 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.57 1x3b h LEU 71 CO 0.04 -0.37 0.23 0.00 -0.62 0.00 0.00 178.44 177.72 1x3b h ALA 72 N -1.67 0.85 -0.89 1.25 0.00 0.04 -0.29 119.26 118.55 1x3b h ALA 72 Ca -0.07 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1x3b h ALA 72 Cb 0.49 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.20 1x3b h ALA 72 CO 0.11 -0.22 -0.25 -0.97 0.00 0.00 0.00 179.25 177.92 1x3b h ASN 73 N 0.39 -0.92 0.51 0.00 -0.73 -1.16 1.55 115.58 115.21 1x3b h ASN 73 Ca 0.34 0.27 -0.03 0.00 1.87 0.00 0.00 56.30 58.76 1x3b h ASN 73 Cb 0.47 0.58 0.01 0.00 0.27 0.00 0.00 38.32 39.64 1x3b h ASN 73 CO -0.36 -0.30 -0.25 0.40 -0.37 0.00 0.00 177.43 176.56 1x3b h ILE 74 N -0.01 0.42 -0.61 2.57 1.08 -0.51 -2.00 117.51 118.45 1x3b h ILE 74 Ca 0.41 -0.33 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1x3b h ILE 74 Cb 0.64 0.54 -0.12 0.00 -3.07 0.00 0.00 36.82 34.82 1x3b h ILE 74 CO -0.92 0.05 -0.24 -0.07 -0.69 0.00 0.00 178.15 176.28 1x3b h LEU 75 N -0.91 -0.86 -0.43 1.44 3.38 0.25 0.57 115.31 118.74 1x3b h LEU 75 Ca -0.07 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1x3b h LEU 75 Cb 0.61 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1x3b h LEU 75 CO 0.12 -0.26 -0.22 0.11 0.09 0.00 0.00 178.44 178.28 1x3b h LYS 76 N -0.09 -0.13 0.00 1.13 1.57 0.22 0.96 116.57 120.23 1x3b h LYS 76 Ca 0.27 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1x3b h LYS 76 Cb 0.52 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1x3b h LYS 76 CO -0.66 -0.08 0.00 -0.92 -0.57 0.00 0.00 179.45 177.21 1x3b h TYR 77 N -0.13 0.00 0.00 -1.35 3.20 0.13 -0.69 116.97 118.13 1x3b h TYR 77 Ca 0.21 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1x3b h TYR 77 Cb 0.45 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1x3b h TYR 77 CO -0.47 0.00 -0.64 0.45 -1.64 0.00 0.00 178.16 175.86 1x3b h HIS 78 N 0.00 0.00 -2.92 -3.82 3.86 0.56 -3.46 115.15 109.37 1x3b h HIS 78 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1x3b h HIS 78 Cb 0.28 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 1x3b h HIS 78 CO 0.00 0.02 -0.52 0.42 0.86 0.00 0.00 177.93 178.71 1x3b s ILE 79 N -3.30 5.23 0.51 2.45 1.01 0.18 -2.32 121.20 124.96 1x3b s ILE 79 Ca 0.02 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.38 1x3b s ILE 79 Cb 0.08 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1x3b s ILE 79 CO 0.75 0.24 0.28 -0.83 0.00 0.00 0.00 174.94 175.37 1x3b s GLY 80 N -2.18 2.49 -0.33 6.18 0.00 0.30 -3.63 107.32 110.15 1x3b s GLY 80 Ca 0.30 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1x3b s GLY 80 CO 0.22 -1.98 1.32 1.34 0.00 0.00 0.00 173.10 174.00 1x3b n ASP 81 N -1.55 4.69 0.00 1.64 2.03 -0.63 -3.22 116.55 119.50 1x3b n ASP 81 Ca -0.05 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.48 1x3b n ASP 81 Cb 0.65 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.82 0.00 -3.04 -0.67 0.28 -1.26 -4.93 120.64 110.21 1x3b n GLU 82 Ca 0.43 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.99 1x3b n GLU 82 Cb 0.91 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.73 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 4.67 -0.19 3.84 -1.09 -1.26 -3.46 121.20 121.71 1x3b s ILE 83 Ca 0.00 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1x3b s ILE 83 Cb 0.00 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1x3b s ILE 83 CO 0.00 -1.13 -0.11 -0.22 -1.23 0.00 0.00 174.94 172.25 1x3b s LEU 84 N 3.12 2.59 0.31 2.97 0.20 -1.26 -5.08 118.68 121.54 1x3b s LEU 84 Ca 0.17 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.55 1x3b s LEU 84 Cb -0.20 -1.63 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1x3b s LEU 84 CO 0.10 0.02 0.18 0.68 -0.29 0.00 0.00 176.35 177.03 1x3b s VAL 85 N 1.24 0.25 -0.79 1.68 -7.23 -1.26 -4.95 120.40 109.33 1x3b s VAL 85 Ca 0.03 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1x3b s VAL 85 Cb -0.14 -2.49 -0.17 0.00 0.56 0.00 0.00 36.38 34.14 1x3b s VAL 85 CO -0.05 0.00 3.16 -1.54 -0.31 0.00 0.00 175.10 176.36 1x3b n SER 86 N -1.07 6.70 -0.02 4.85 3.41 -1.26 -3.98 113.62 122.25 1x3b n SER 86 Ca 0.02 -2.49 -0.06 0.00 -0.26 0.00 0.00 58.87 56.08 1x3b n SER 86 Cb 0.64 -1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.14 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 3.08 -0.20 2.52 5.00 0.00 -1.26 -4.88 105.19 109.44 1x3b n GLY 87 Ca 0.58 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 2.59 4.23 0.00 -0.02 0.00 -1.26 -5.03 105.19 105.69 1x3b n GLY 88 Ca -0.11 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -5.05 119.36 114.52 1x3b n ILE 89 Ca 0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.57 1x3b n ILE 89 Cb 0.59 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 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 0.94 0.11 5.18 7.39 0.00 -1.26 -4.89 105.19 112.66 1x3b n GLY 90 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.06 4.61 0.00 -1.26 -4.72 120.51 116.07 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 1.16 -0.03 0.00 1.98 -1.26 -3.99 118.68 116.53 1x3b s LEU 92 Ca 0.00 -0.15 -0.04 0.00 -2.89 0.00 0.00 54.13 51.05 1x3b s LEU 92 Cb 0.00 1.06 0.01 0.00 0.66 0.00 0.00 46.19 47.92 1x3b s LEU 92 CO 0.00 -0.49 0.09 -0.69 -1.89 0.00 0.00 176.35 173.37 1x3b s VAL 93 N -1.89 0.02 -0.42 1.68 1.01 -0.64 -5.01 120.40 115.14 1x3b s VAL 93 Ca -0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1x3b s VAL 93 Cb -0.04 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1x3b s VAL 93 CO 0.00 -0.08 0.27 -0.13 0.00 0.00 0.00 175.10 175.16 1x3b s ARG 94 N -0.23 2.72 -0.31 2.72 1.81 -1.26 -2.03 118.95 122.37 1x3b s ARG 94 Ca -0.03 -1.36 -0.21 0.00 -1.72 0.00 0.00 55.73 52.41 1x3b s ARG 94 Cb -0.02 -3.84 -0.00 0.00 -0.45 0.00 0.00 34.95 30.63 1x3b s ARG 94 CO 0.00 -0.92 0.68 -1.17 -0.68 0.00 0.00 175.30 173.21 1x3b s LEU 95 N 1.49 4.14 -0.09 2.53 0.20 0.76 -4.91 118.68 122.80 1x3b s LEU 95 Ca 0.03 0.46 -0.30 0.00 0.69 0.00 0.00 54.13 55.01 1x3b s LEU 95 Cb -0.22 -2.89 -0.03 0.00 -0.43 0.00 0.00 46.19 42.62 1x3b s LEU 95 CO 0.04 -0.53 1.34 -0.75 -0.29 0.00 0.00 176.35 176.15 1x3b s LYS 96 N 2.72 4.26 0.71 1.98 2.20 -1.26 0.74 119.74 131.09 1x3b s LYS 96 Ca 0.27 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1x3b s LYS 96 Cb -0.15 -3.72 0.12 0.00 -1.51 0.00 0.00 37.83 32.58 1x3b s LYS 96 CO 0.12 -0.65 0.97 -1.54 -0.36 0.00 0.00 175.35 173.90 1x3b s SER 97 N 2.06 4.42 -0.12 1.43 1.04 -1.20 -1.61 113.70 119.72 1x3b s SER 97 Ca 0.60 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 56.44 1x3b s SER 97 Cb -0.26 -0.00 -0.26 0.00 0.10 0.00 0.00 66.02 65.60 1x3b s SER 97 CO 0.21 -1.81 0.55 -0.07 0.98 0.00 0.00 173.24 173.10 1x3b h LEU 98 N -0.46 0.27 -1.96 2.42 3.38 -1.64 -3.31 115.31 114.01 1x3b h LEU 98 Ca -0.36 -0.82 0.34 0.00 0.09 0.00 0.00 57.88 57.13 1x3b h LEU 98 Cb 1.27 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1x3b h LEU 98 CO 0.40 1.50 0.88 -0.61 0.09 0.00 0.00 178.44 180.70 1x3b h GLN 99 N -0.52 0.00 0.00 1.13 5.75 -1.86 -3.45 115.11 116.16 1x3b h GLN 99 Ca -0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1x3b h GLN 99 Cb 1.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.12 1x3b h GLN 99 CO 0.01 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.60 1x3b n GLY 100 N -1.76 3.55 3.73 2.39 0.00 -1.25 -5.00 105.19 106.85 1x3b n GLY 100 Ca 0.25 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 7.05 0.04 1.61 1.11 -1.26 -4.67 116.67 120.55 1x3b s ASP 101 Ca 0.00 2.22 -0.27 0.00 0.18 0.00 0.00 52.55 54.68 1x3b s ASP 101 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1x3b s ASP 101 CO 0.00 -0.42 0.84 -0.54 1.18 0.00 0.00 175.17 176.22 1x3b s LYS 102 N 0.08 4.55 0.22 8.23 3.01 -1.26 -3.27 119.74 131.28 1x3b s LYS 102 Ca 0.55 1.18 -0.13 0.00 -1.01 0.00 0.00 55.97 56.56 1x3b s LYS 102 Cb -0.33 -3.39 -0.08 0.00 -1.01 0.00 0.00 37.83 33.03 1x3b s LYS 102 CO 0.35 0.19 0.60 -0.51 0.51 0.00 0.00 175.35 176.49 1x3b s LEU 103 N 0.23 4.22 -0.17 3.17 1.43 0.23 -4.88 118.68 122.91 1x3b s LEU 103 Ca 0.42 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 1x3b s LEU 103 Cb -0.21 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1x3b s LEU 103 CO 0.25 -0.03 0.04 -0.70 0.23 0.00 0.00 176.35 176.14 1x3b s GLU 104 N -2.48 3.88 -0.02 1.70 2.12 -1.26 -0.17 118.70 122.46 1x3b s GLU 104 Ca 0.45 -0.38 -0.00 0.00 0.36 0.00 0.00 54.97 55.39 1x3b s GLU 104 Cb -0.13 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.16 1x3b s GLU 104 CO 0.20 0.29 0.04 0.08 -0.54 0.00 0.00 175.26 175.32 1x3b s VAL 105 N 0.31 -0.07 0.22 3.70 1.01 -0.86 -1.43 120.40 123.28 1x3b s VAL 105 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1x3b s VAL 105 Cb -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1x3b s VAL 105 CO 0.01 0.11 0.17 -0.94 0.00 0.00 0.00 175.10 174.45 1x3b s SER 106 N 1.32 0.33 -0.20 3.32 1.04 -1.22 -1.62 113.70 116.67 1x3b s SER 106 Ca -0.06 -1.41 0.01 0.00 0.48 0.00 0.00 55.95 54.97 1x3b s SER 106 Cb -0.13 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1x3b s SER 106 CO -0.03 -0.89 -0.08 -0.22 0.98 0.00 0.00 173.24 173.00 1x3b s LEU 107 N -3.18 2.21 -0.01 2.42 2.96 -1.26 -3.08 118.68 118.75 1x3b s LEU 107 Ca 0.38 -0.90 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1x3b s LEU 107 Cb 0.06 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.60 1x3b s LEU 107 CO 0.14 -0.17 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.23 1x3b s LYS 108 N 1.44 0.28 -1.91 1.98 2.20 -0.61 -4.75 119.74 118.37 1x3b s LYS 108 Ca -0.02 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1x3b s LYS 108 Cb -0.17 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.81 1x3b s LYS 108 CO -0.08 -0.02 0.00 -1.71 -0.36 0.00 0.00 175.35 173.19 1x3b n ASN 109 N 3.47 -5.47 -0.18 1.43 5.15 -1.26 0.77 115.26 119.17 1x3b n ASN 109 Ca -0.19 0.45 -0.02 0.00 -0.60 0.00 0.00 54.58 54.22 1x3b n ASN 109 Cb 0.55 -4.62 -0.01 0.00 -0.53 0.00 0.00 39.78 35.17 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 -1.29 -3.51 -4.58 1.20 2.85 -1.26 -5.01 115.26 103.66 1x3b n ASN 110 Ca -0.18 0.06 -0.34 0.00 -0.11 0.00 0.00 54.58 54.01 1x3b n ASN 110 Cb 0.65 -1.22 -0.11 0.00 1.24 0.00 0.00 39.78 40.34 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 -2.01 3.75 -0.11 3.44 1.01 0.23 -5.11 120.40 121.59 1x3b s VAL 111 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1x3b s VAL 111 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1x3b s VAL 111 CO 0.00 0.59 0.16 -0.69 0.00 0.00 0.00 175.10 175.16 1x3b s VAL 112 N -0.76 5.48 0.06 2.92 1.01 -1.26 -1.57 120.40 126.29 1x3b s VAL 112 Ca 0.12 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1x3b s VAL 112 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1x3b s VAL 112 CO 0.02 0.61 -0.10 -0.44 0.00 0.00 0.00 175.10 175.19 1x3b s SER 113 N -1.01 1.22 -0.24 3.32 0.01 -1.18 -2.98 113.70 112.85 1x3b s SER 113 Ca 0.15 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1x3b s SER 113 Cb -0.12 0.00 0.08 0.00 0.21 0.00 0.00 66.02 66.19 1x3b s SER 113 CO 0.04 -0.17 0.10 0.54 0.41 0.00 0.00 173.24 174.16 1x3b s VAL 114 N -1.49 0.12 -0.43 3.43 0.11 -0.34 -3.37 120.40 118.43 1x3b s VAL 114 Ca -0.05 -0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1x3b s VAL 114 Cb -0.09 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1x3b s VAL 114 CO 0.01 -0.49 0.05 0.59 -3.33 0.00 0.00 175.10 171.92 1x3b n ASN 115 N 5.18 -2.37 -1.11 3.54 3.02 -0.52 -2.77 115.26 120.24 1x3b n ASN 115 Ca -0.06 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 1x3b n ASN 115 Cb 0.45 -1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.52 -0.79 -4.77 3.52 5.02 -1.26 -5.02 118.16 113.34 1x3b n LYS 116 Ca -0.05 0.50 -0.28 0.00 -2.02 0.00 0.00 58.31 56.46 1x3b n LYS 116 Cb 0.54 -4.55 -0.14 0.00 -0.02 0.00 0.00 35.03 30.86 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 -4.41 1.57 0.28 1.97 2.02 -1.11 -5.12 118.70 113.90 1x3b s GLU 117 Ca 0.00 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 53.69 1x3b s GLU 117 Cb 0.00 -1.71 -0.09 0.00 0.10 0.00 0.00 34.13 32.43 1x3b s GLU 117 CO 0.00 0.44 1.08 -1.25 0.02 0.00 0.00 175.26 175.55 1x3b s PRO 118 N -1.19 4.65 0.07 0.39 0.04 -1.26 -1.20 135.00 136.50 1x3b s PRO 118 Ca 0.09 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.85 1x3b s PRO 118 Cb -0.09 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1x3b s PRO 118 CO 0.02 0.23 0.30 0.08 0.04 0.00 0.00 177.00 177.67 1x3b s VAL 119 N -1.18 5.26 -0.04 -0.36 1.01 -1.16 -2.60 120.40 121.33 1x3b s VAL 119 Ca 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 1x3b s VAL 119 Cb -0.31 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1x3b s VAL 119 CO 0.40 0.20 0.05 0.00 0.00 0.00 0.00 175.10 175.74 1x3b h ALA 120 N 3.36 -0.04 -1.96 5.51 0.00 0.29 -3.45 119.26 122.98 1x3b h ALA 120 Ca -0.47 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.04 1x3b h ALA 120 Cb 1.18 0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.66 1x3b h ALA 120 CO 0.71 -0.04 -0.71 -1.21 0.00 0.00 0.00 179.25 177.99 1x3b s GLU 121 N -1.37 0.69 0.95 0.00 2.02 -0.96 -4.99 118.70 115.03 1x3b s GLU 121 Ca -0.00 -1.03 -0.16 0.00 0.02 0.00 0.00 54.97 53.80 1x3b s GLU 121 Cb 0.00 -0.78 0.23 0.00 0.10 0.00 0.00 34.13 33.68 1x3b s GLU 121 CO 0.01 -1.23 1.04 -0.35 0.02 0.00 0.00 175.26 174.76 1x3b n PRO 122 N 4.01 -1.97 -2.87 0.39 -0.04 -1.26 -3.00 135.00 130.27 1x3b n PRO 122 Ca 0.14 -1.63 -0.05 0.00 -0.04 0.00 0.00 63.50 61.91 1x3b n PRO 122 Cb 0.45 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.65 1x3b n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x3b n ASP 123 N -4.16 -6.45 -4.09 3.54 8.00 -1.23 -4.92 116.55 107.24 1x3b n ASP 123 Ca 0.14 -0.28 -0.36 0.00 0.71 0.00 0.00 54.79 55.00 1x3b n ASP 123 Cb 0.50 -4.54 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1x3b s ILE 124 N -3.13 3.51 0.28 0.53 1.01 -0.46 -4.98 121.20 117.96 1x3b s ILE 124 Ca 0.16 -2.75 -0.30 0.00 0.00 0.00 0.00 60.65 57.75 1x3b s ILE 124 Cb -0.02 -3.33 -0.12 0.00 0.01 0.00 0.00 42.46 39.00 1x3b s ILE 124 CO 0.62 -0.82 1.58 0.23 0.00 0.00 0.00 174.94 176.55 1x3b n MET 125 N 3.75 2.61 -1.25 2.79 2.81 -1.26 -1.81 117.12 124.76 1x3b n MET 125 Ca 0.05 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.87 1x3b n MET 125 Cb 0.38 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 1x3b n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x3b n ALA 126 N 2.24 0.00 0.04 3.04 0.00 -0.84 -4.93 120.51 120.06 1x3b n ALA 126 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1x3b n ALA 126 Cb 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 1x3b n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x3b h THR 127 N 0.62 1.11 -0.36 0.00 1.35 -1.89 -3.41 112.91 110.33 1x3b h THR 127 Ca 0.00 -2.80 -0.27 0.00 -0.55 0.00 0.00 66.41 62.80 1x3b h THR 127 Cb 0.00 2.69 -0.24 0.00 -1.73 0.00 0.00 68.15 68.87 1x3b h THR 127 CO 0.00 0.78 -0.66 -0.46 -0.25 0.00 0.00 175.52 174.93 1x3b n ASN 128 N -3.38 -0.65 0.00 5.36 6.94 -1.26 -5.01 115.26 117.26 1x3b n ASN 128 Ca -0.16 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 1x3b n ASN 128 Cb 1.04 0.43 0.00 0.00 -2.36 0.00 0.00 39.78 38.89 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 -0.45 -0.90 3.24 4.83 0.00 -1.26 -3.35 105.19 107.31 1x3b n GLY 129 Ca 0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 0.00 -0.03 1.61 0.11 -1.24 -1.98 120.40 115.87 1x3b s VAL 130 Ca 0.00 -1.95 -0.12 0.00 -2.93 0.00 0.00 61.98 56.98 1x3b s VAL 130 Cb 0.00 -2.47 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1x3b s VAL 130 CO 0.00 0.00 0.27 -0.69 -3.33 0.00 0.00 175.10 171.35 1x3b s VAL 131 N -4.12 0.05 -0.32 2.04 1.01 -0.75 -3.53 120.40 114.78 1x3b s VAL 131 Ca 0.38 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1x3b s VAL 131 Cb 0.06 -0.54 0.11 0.00 0.00 0.00 0.00 36.38 36.01 1x3b s VAL 131 CO 0.12 -0.23 0.15 -1.00 0.00 0.00 0.00 175.10 174.14 1x3b s HIS 132 N -1.03 0.82 0.19 5.22 3.76 -0.83 -1.36 115.29 122.06 1x3b s HIS 132 Ca -0.11 -1.33 -0.33 0.00 -0.15 0.00 0.00 55.06 53.14 1x3b s HIS 132 Cb -0.05 -1.14 -0.13 0.00 1.11 0.00 0.00 32.58 32.36 1x3b s HIS 132 CO 0.03 -0.84 1.60 0.28 -0.85 0.00 0.00 174.74 174.96 1x3b n VAL 133 N 4.79 0.20 -3.51 -0.90 0.31 -1.16 -3.72 118.33 114.34 1x3b n VAL 133 Ca -0.00 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.07 1x3b n VAL 133 Cb 0.40 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.78 2.57 -0.24 2.52 -4.36 0.27 0.24 121.20 122.98 1x3b s ILE 134 Ca 0.75 -1.30 0.10 0.00 -0.26 0.00 0.00 60.65 59.94 1x3b s ILE 134 Cb -0.62 -2.87 0.44 0.00 1.25 0.00 0.00 42.46 40.66 1x3b s ILE 134 CO 0.39 0.00 1.26 0.35 0.24 0.00 0.00 174.94 177.17 1x3b n THR 135 N -1.64 2.33 0.00 8.37 -2.24 -1.07 -2.28 114.28 117.74 1x3b n THR 135 Ca 0.04 -3.34 0.00 0.00 -2.27 0.00 0.00 64.05 58.48 1x3b n THR 135 Cb 0.62 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.05 0.00 -4.69 3.42 3.02 -1.26 -4.82 115.26 109.88 1x3b n ASN 136 Ca 0.26 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1x3b n ASN 136 Cb 0.78 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 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 -1.49 3.62 0.61 2.41 1.01 -1.26 -4.75 120.40 120.55 1x3b s VAL 137 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1x3b s VAL 137 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1x3b s VAL 137 CO 0.00 -0.00 1.03 -0.76 0.00 0.00 0.00 175.10 175.37 1x3b s LEU 138 N 2.42 3.34 0.03 3.92 1.43 -1.26 -5.08 118.68 123.48 1x3b s LEU 138 Ca 0.65 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1x3b s LEU 138 Cb -0.33 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.37 1x3b s LEU 138 CO 0.27 -1.02 -0.04 -1.10 0.23 0.00 0.00 176.35 174.69 1x3b s GLN 139 N -4.69 0.40 0.88 1.70 -0.21 -1.26 -5.06 119.66 111.42 1x3b s GLN 139 Ca 0.58 -0.73 -0.12 0.00 0.02 0.00 0.00 55.36 55.11 1x3b s GLN 139 Cb -0.13 0.04 0.12 0.00 1.00 0.00 0.00 33.01 34.05 1x3b s GLN 139 CO 0.46 -0.04 1.13 -1.25 -2.12 0.00 0.00 175.29 173.47 1x3b s PRO 140 N -1.84 1.41 -0.67 2.91 0.04 -1.26 -4.83 135.00 130.75 1x3b s PRO 140 Ca -0.11 0.39 -0.34 0.00 0.04 0.00 0.00 61.00 60.98 1x3b s PRO 140 Cb -0.07 -1.86 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 1x3b s PRO 140 CO -0.02 -2.03 2.43 0.43 0.04 0.00 0.00 177.00 177.85 1x3b n SER 141 N -3.67 1.12 -4.09 6.66 7.64 -1.26 -4.88 113.62 115.14 1x3b n SER 141 Ca 0.07 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 1x3b n SER 141 Cb 0.58 -1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 1x3b n SER 141 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3b s GLY 142 N 8.59 0.50 0.08 0.23 0.00 -1.26 -5.13 107.32 110.33 1x3b s GLY 142 Ca 1.21 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 1x3b s GLY 142 CO 0.49 -1.20 1.16 2.56 0.00 0.00 0.00 173.10 176.10 1x3b s PRO 143 N -3.31 4.48 -0.25 2.90 0.04 -1.26 -5.01 135.00 132.58 1x3b s PRO 143 Ca 0.03 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1x3b s PRO 143 Cb 0.03 -3.34 0.13 0.00 0.04 0.00 0.00 34.50 31.36 1x3b s PRO 143 CO -0.07 -0.17 0.34 0.45 0.04 0.00 0.00 177.00 177.60 1x3b s SER 144 N 0.79 0.69 -0.04 6.66 0.15 -1.26 -5.14 113.70 115.56 1x3b s SER 144 Ca 0.56 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.80 1x3b s SER 144 Cb -0.29 0.89 0.11 0.00 -1.71 0.00 0.00 66.02 65.02 1x3b s SER 144 CO 0.30 -0.33 0.89 -0.44 1.20 0.00 0.00 173.24 174.87 1x3b s SER 145 N 2.48 -0.39 0.00 5.45 0.01 -1.26 -5.33 113.70 114.67 1x3b s SER 145 Ca 0.11 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1x3b s SER 145 Cb -0.15 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1x3b s SER 145 CO -0.21 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.48