#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 -0.63 0.10 1.61 0.15 -1.26 -5.04 113.70 108.62 1x3b s SER 2 Ca 0.00 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1x3b s SER 2 Cb 0.00 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1x3b s SER 2 CO 0.00 -0.12 0.00 -1.20 1.20 0.00 0.00 173.24 173.12 1x3b n SER 3 N 5.12 -0.90 -3.19 5.45 7.64 -1.26 -5.06 113.62 121.42 1x3b n SER 3 Ca -0.08 0.52 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 1x3b n SER 3 Cb 0.52 1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 64.84 1x3b n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3b s GLY 4 N -2.00 0.19 0.21 0.23 0.00 -1.26 -5.12 107.32 99.57 1x3b s GLY 4 Ca 0.00 -1.53 -0.20 0.00 0.00 0.00 0.00 44.72 42.99 1x3b s GLY 4 CO 0.00 2.72 0.60 -0.45 0.00 0.00 0.00 173.10 175.97 1x3b s SER 5 N 0.59 -0.35 -1.12 1.64 0.15 -1.26 -5.09 113.70 108.27 1x3b s SER 5 Ca 0.29 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.47 1x3b s SER 5 Cb -0.01 0.63 0.28 0.00 -1.71 0.00 0.00 66.02 65.20 1x3b s SER 5 CO -0.12 -1.11 1.24 -1.20 1.20 0.00 0.00 173.24 173.25 1x3b n SER 6 N -0.39 5.73 -4.78 5.45 7.64 -1.26 -5.03 113.62 120.98 1x3b n SER 6 Ca -0.10 -3.13 -0.36 0.00 1.01 0.00 0.00 58.87 56.29 1x3b n SER 6 Cb 0.62 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 1x3b n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x3b s GLY 7 N 0.62 2.71 0.24 0.23 0.00 -1.26 -4.75 107.32 105.11 1x3b s GLY 7 Ca 0.32 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1x3b s GLY 7 CO -0.03 1.21 0.00 1.03 0.00 0.00 0.00 173.10 175.31 1x3b n MET 8 N -0.50 -3.47 0.00 2.90 0.00 -1.26 -5.07 117.12 109.72 1x3b n MET 8 Ca 0.07 2.52 0.00 0.00 0.00 0.00 0.00 57.70 60.29 1x3b n MET 8 Cb 0.50 -2.74 0.00 0.00 0.00 0.00 0.00 33.22 30.97 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 0.30 1.25 0.00 3.03 0.00 -1.26 -5.10 105.19 103.41 1x3b n GLY 9 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1x3b n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x3b n THR 10 N 0.00 0.00 -0.19 2.61 -2.24 -1.26 -4.36 114.28 108.84 1x3b n THR 10 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1x3b n THR 10 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1x3b n THR 10 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1x3b h VAL 11 N 0.61 0.31 0.60 2.28 3.04 -1.88 1.43 116.25 122.65 1x3b h VAL 11 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1x3b h VAL 11 Cb 0.00 0.31 0.01 0.00 -2.01 0.00 0.00 31.29 29.60 1x3b h VAL 11 CO 0.00 0.00 -0.29 0.24 -1.01 0.00 0.00 177.57 176.51 1x3b h MET 12 N -0.07 -0.78 -0.80 4.17 2.86 -1.95 -2.96 114.93 115.40 1x3b h MET 12 Ca 0.27 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 58.15 1x3b h MET 12 Cb 0.49 0.18 -0.13 0.00 0.06 0.00 0.00 31.60 32.20 1x3b h MET 12 CO -0.63 -0.52 0.17 0.22 1.06 0.00 0.00 176.91 177.21 1x3b h ASP 13 N -0.83 -0.06 -1.36 1.22 1.82 -1.80 1.19 116.42 116.60 1x3b h ASP 13 Ca -0.08 0.17 0.40 0.00 -0.39 0.00 0.00 57.03 57.13 1x3b h ASP 13 Cb 0.62 0.25 -0.07 0.00 0.68 0.00 0.00 39.33 40.81 1x3b h ASP 13 CO 0.14 -0.11 0.95 0.58 -1.61 0.00 0.00 179.24 179.19 1x3b h VAL 14 N 0.22 0.29 0.21 2.25 2.07 0.21 1.68 116.25 123.18 1x3b h VAL 14 Ca 0.47 -0.02 -0.33 0.00 0.82 0.00 0.00 66.70 67.64 1x3b h VAL 14 Cb 0.86 0.22 0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1x3b h VAL 14 CO -0.60 0.01 -1.49 -0.07 0.02 0.00 0.00 177.57 175.45 1x3b h LEU 15 N 0.07 0.69 -0.32 2.57 3.38 0.16 -3.16 115.31 118.70 1x3b h LEU 15 Ca 0.69 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1x3b h LEU 15 Cb 2.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 43.05 1x3b h LEU 15 CO -0.11 1.63 0.15 0.11 0.09 0.00 0.00 178.44 180.31 1x3b h LYS 16 N 0.12 0.46 -0.51 1.13 1.57 0.29 -2.81 116.57 116.82 1x3b h LYS 16 Ca -0.25 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1x3b h LYS 16 Cb 2.11 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 34.27 1x3b h LYS 16 CO 0.24 0.43 0.09 0.78 -0.57 0.00 0.00 179.45 180.42 1x3b h GLY 17 N 0.37 0.62 -4.33 3.86 0.00 0.21 -3.39 103.07 100.41 1x3b h GLY 17 Ca 0.11 -0.01 -0.53 0.00 0.00 0.00 0.00 47.33 46.89 1x3b h GLY 17 CO -0.01 -0.08 0.33 0.99 0.00 0.00 0.00 176.54 177.77 1x3b s ASP 18 N -5.30 7.39 0.12 0.19 1.01 -1.06 -4.94 116.67 114.08 1x3b s ASP 18 Ca -0.13 1.67 -0.04 0.00 0.71 0.00 0.00 52.55 54.76 1x3b s ASP 18 Cb 0.16 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.40 1x3b s ASP 18 CO 0.73 -0.15 1.27 0.78 0.21 0.00 0.00 175.17 178.01 1x3b h ASN 19 N 6.22 0.48 -1.04 0.27 4.21 -1.79 -3.23 115.58 120.71 1x3b h ASN 19 Ca -0.42 -0.41 0.38 0.00 1.21 0.00 0.00 56.30 57.06 1x3b h ASN 19 Cb 1.21 -0.15 -0.16 0.00 -1.12 0.00 0.00 38.32 38.10 1x3b h ASN 19 CO 0.73 1.24 0.59 0.03 -1.29 0.00 0.00 177.43 178.73 1x3b h ARG 20 N 0.18 0.13 -2.15 0.81 3.08 -1.92 0.24 114.38 114.75 1x3b h ARG 20 Ca -0.09 -0.01 -0.69 0.00 0.07 0.00 0.00 59.98 59.26 1x3b h ARG 20 Cb 1.67 -0.03 -0.35 0.00 0.08 0.00 0.00 29.97 31.34 1x3b h ARG 20 CO 0.17 0.09 0.15 1.19 -1.07 0.00 0.00 179.97 180.50 1x3b n PHE 21 N -5.12 3.40 -0.01 3.04 3.72 -1.22 -4.15 117.46 117.12 1x3b n PHE 21 Ca 0.35 -3.18 -0.00 0.00 -0.05 0.00 0.00 57.45 54.57 1x3b n PHE 21 Cb 1.19 -0.78 -0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1x3b n PHE 21 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x3b h SER 22 N 3.38 0.00 -1.10 4.37 0.87 -0.67 -3.25 113.55 117.15 1x3b h SER 22 Ca 0.35 0.00 0.43 0.00 -1.23 0.00 0.00 61.79 61.34 1x3b h SER 22 Cb 0.43 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.23 1x3b h SER 22 CO 1.02 0.10 0.64 0.24 -0.53 0.00 0.00 176.83 178.30 1x3b h MET 23 N -0.16 0.03 0.73 2.24 2.86 -1.86 0.50 114.93 119.27 1x3b h MET 23 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1x3b h MET 23 Cb 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1x3b h MET 23 CO 0.00 0.02 -0.43 1.25 1.06 0.00 0.00 176.91 178.81 1x3b h LEU 24 N 0.03 -1.07 -0.76 1.22 5.85 -1.92 -2.40 115.31 116.26 1x3b h LEU 24 Ca 0.85 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.72 1x3b h LEU 24 Cb 2.36 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 43.58 1x3b h LEU 24 CO -0.67 -0.67 -0.50 0.58 -0.34 0.00 0.00 178.44 176.83 1x3b h VAL 25 N -1.08 0.03 -0.94 1.05 2.07 -0.04 0.91 116.25 118.25 1x3b h VAL 25 Ca -0.09 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.70 1x3b h VAL 25 Cb 0.86 0.03 -0.16 0.00 -1.52 0.00 0.00 31.29 30.50 1x3b h VAL 25 CO 0.11 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.89 1x3b h ALA 26 N 0.60 1.36 -0.61 1.67 0.00 -1.23 1.64 119.26 122.68 1x3b h ALA 26 Ca 0.18 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1x3b h ALA 26 Cb 0.52 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1x3b h ALA 26 CO -0.81 -0.58 0.32 0.00 0.00 0.00 0.00 179.25 178.18 1x3b h ALA 27 N 1.89 0.81 0.07 0.00 0.00 0.13 0.32 119.26 122.48 1x3b h ALA 27 Ca 0.61 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1x3b h ALA 27 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x3b h ALA 27 CO -0.78 -0.03 -0.03 0.82 0.00 0.00 0.00 179.25 179.23 1x3b h ILE 28 N 0.59 1.13 -0.56 0.00 2.04 0.30 0.65 117.51 121.66 1x3b h ILE 28 Ca 0.28 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 65.55 1x3b h ILE 28 Cb 0.20 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 1x3b h ILE 28 CO -0.19 0.17 0.00 -0.61 0.00 0.00 0.00 178.15 177.52 1x3b h GLN 29 N -0.40 0.12 -0.04 2.37 -0.00 0.55 1.56 115.11 119.25 1x3b h GLN 29 Ca -0.01 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 1x3b h GLN 29 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1x3b h GLN 29 CO 0.01 0.08 -0.64 1.03 0.00 0.00 0.00 178.83 179.32 1x3b h SER 30 N 0.12 0.19 0.58 -0.69 0.87 -0.29 -2.80 113.55 111.52 1x3b h SER 30 Ca 0.29 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1x3b h SER 30 Cb 0.45 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1x3b h SER 30 CO -0.47 0.78 -0.50 0.00 -0.53 0.00 0.00 176.83 176.11 1x3b h ALA 31 N 1.22 1.10 -1.79 6.23 0.00 0.30 -3.47 119.26 122.86 1x3b h ALA 31 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1x3b h ALA 31 Cb 1.15 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1x3b h ALA 31 CO 0.09 0.62 -0.12 0.41 0.00 0.00 0.00 179.25 180.26 1x3b n GLY 32 N 0.02 0.68 0.01 0.00 0.00 0.51 -4.86 105.19 101.55 1x3b n GLY 32 Ca -0.01 -0.53 0.07 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 -1.25 0.05 -0.22 0.99 4.77 -1.02 -4.59 117.00 115.73 1x3b n LEU 33 Ca 0.00 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 1x3b n LEU 33 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1x3b n LEU 33 CO 0.11 0.01 0.55 0.74 -1.33 0.00 0.00 177.39 177.48 1x3b h THR 34 N 0.00 0.07 -0.55 -5.08 2.02 -1.91 0.22 112.91 107.69 1x3b h THR 34 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1x3b h THR 34 Cb 0.65 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 1x3b h THR 34 CO 0.00 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 175.59 1x3b h GLU 35 N -0.22 0.14 -0.06 6.66 4.39 -1.93 1.76 114.58 125.32 1x3b h GLU 35 Ca 0.17 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1x3b h GLU 35 Cb 0.56 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1x3b h GLU 35 CO -0.71 0.09 0.06 1.15 -1.16 0.00 0.00 179.01 178.45 1x3b h THR 36 N 0.15 0.60 -0.02 1.13 2.02 -0.97 0.36 112.91 116.17 1x3b h THR 36 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1x3b h THR 36 Cb 0.43 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1x3b h THR 36 CO -0.44 0.00 -0.11 0.18 0.37 0.00 0.00 175.52 175.52 1x3b n LEU 37 N -3.97 2.52 -1.34 2.58 4.77 0.18 -4.10 117.00 117.64 1x3b n LEU 37 Ca -0.01 -0.94 0.03 0.00 -0.03 0.00 0.00 56.01 55.06 1x3b n LEU 37 Cb 0.16 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.54 1x3b n LEU 37 CO 0.29 0.44 0.81 -3.20 -1.33 0.00 0.00 177.39 174.40 1x3b n ASN 38 N 0.85 4.24 -4.29 -1.43 2.85 0.55 -4.50 115.26 113.52 1x3b n ASN 38 Ca 0.11 -3.15 -0.30 0.00 -0.11 0.00 0.00 54.58 51.14 1x3b n ASN 38 Cb 0.50 -0.63 -0.16 0.00 1.24 0.00 0.00 39.78 40.74 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 -2.92 1.90 0.05 1.20 1.70 -0.95 -4.95 118.95 114.98 1x3b s ARG 39 Ca 0.48 -0.93 -0.38 0.00 -0.47 0.00 0.00 55.73 54.43 1x3b s ARG 39 Cb 0.39 -1.90 -0.17 0.00 -0.57 0.00 0.00 34.95 32.70 1x3b s ARG 39 CO 0.10 0.51 1.31 -0.85 -1.08 0.00 0.00 175.30 175.29 1x3b n GLU 40 N 2.29 0.92 0.00 3.89 0.28 -1.26 -4.67 120.64 122.09 1x3b n GLU 40 Ca -0.16 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1x3b n GLU 40 Cb 0.52 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.44 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 2.42 -0.24 3.19 -1.84 0.00 -1.26 -5.12 105.19 102.32 1x3b n GLY 41 Ca 0.19 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.00 -0.01 -0.26 1.61 -7.23 -1.23 -4.02 120.40 105.26 1x3b s VAL 42 Ca 0.00 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.14 1x3b s VAL 42 Cb 0.00 -0.44 0.13 0.00 0.56 0.00 0.00 36.38 36.63 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 0.40 -1.15 -0.43 2.82 2.02 -1.25 -4.30 117.35 115.46 1x3b s TYR 43 Ca -0.02 1.71 -0.21 0.00 -0.37 0.00 0.00 57.07 58.17 1x3b s TYR 43 Cb -0.04 0.47 0.02 0.00 -0.40 0.00 0.00 41.96 42.02 1x3b s TYR 43 CO -0.02 -0.67 0.69 0.99 -1.57 0.00 0.00 175.55 174.98 1x3b s THR 44 N 2.75 4.78 0.24 -0.71 2.01 -1.24 -3.48 115.64 119.99 1x3b s THR 44 Ca 0.04 0.32 0.10 0.00 0.31 0.00 0.00 61.69 62.46 1x3b s THR 44 Cb -0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1x3b s THR 44 CO -0.17 -0.58 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.39 1x3b s VAL 45 N 2.96 3.06 -0.18 3.82 1.01 -1.19 0.15 120.40 130.03 1x3b s VAL 45 Ca 0.25 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1x3b s VAL 45 Cb -0.13 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1x3b s VAL 45 CO 0.19 -0.28 -0.09 -0.36 0.00 0.00 0.00 175.10 174.57 1x3b s PHE 46 N -2.12 2.08 -0.28 5.22 0.40 -1.12 -2.06 117.98 120.10 1x3b s PHE 46 Ca 0.28 -1.33 -0.07 0.00 -0.60 0.00 0.00 56.93 55.21 1x3b s PHE 46 Cb -0.07 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.96 1x3b s PHE 46 CO 0.17 -0.68 0.08 0.00 0.70 0.00 0.00 175.22 175.49 1x3b s ALA 47 N 1.51 3.10 1.09 5.36 0.00 -1.23 -4.83 121.76 126.76 1x3b s ALA 47 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1x3b s ALA 47 Cb -0.15 -2.14 0.20 0.00 0.00 0.00 0.00 23.12 21.03 1x3b s ALA 47 CO -0.08 -0.78 0.90 -0.35 0.00 0.00 0.00 175.76 175.45 1x3b n PRO 48 N 4.89 -1.77 -2.64 0.00 -0.04 -1.26 -0.82 135.00 133.37 1x3b n PRO 48 Ca -0.15 -1.42 -0.22 0.00 -0.04 0.00 0.00 63.50 61.68 1x3b n PRO 48 Cb 0.49 -1.12 0.06 0.00 -0.04 0.00 0.00 33.50 32.89 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 -2.82 2.51 0.13 0.52 -4.23 -0.96 -4.73 115.64 106.06 1x3b s THR 49 Ca 0.54 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1x3b s THR 49 Cb -0.03 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1x3b s THR 49 CO 0.40 0.00 1.72 -1.13 -0.54 0.00 0.00 174.62 175.07 1x3b h ASN 50 N -0.08 0.42 -0.01 3.99 -0.73 -1.95 -1.04 115.58 116.18 1x3b h ASN 50 Ca -0.40 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.67 1x3b h ASN 50 Cb 1.29 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 1x3b h ASN 50 CO 0.49 0.40 0.03 -0.33 -0.37 0.00 0.00 177.43 177.64 1x3b h GLU 51 N 0.41 0.00 0.57 6.67 5.08 -1.94 -0.84 114.58 124.53 1x3b h GLU 51 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1x3b h GLU 51 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1x3b h GLU 51 CO -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 179.01 177.72 1x3b h ALA 52 N 1.96 -0.76 -0.57 3.43 0.00 -1.46 -2.35 119.26 119.51 1x3b h ALA 52 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1x3b h ALA 52 Cb 0.06 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x3b h ALA 52 CO -0.00 -0.82 0.18 0.74 0.00 0.00 0.00 179.25 179.34 1x3b h PHE 53 N -0.97 0.93 -0.03 0.00 -1.00 -1.29 -1.78 116.94 112.81 1x3b h PHE 53 Ca -0.08 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.62 1x3b h PHE 53 Cb 0.64 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1x3b h PHE 53 CO -0.00 0.78 0.24 0.00 -1.61 0.00 0.00 178.31 177.71 1x3b h ARG 54 N 0.81 0.00 0.18 1.51 3.08 -1.16 0.18 114.38 118.98 1x3b h ARG 54 Ca 0.18 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.99 1x3b h ARG 54 Cb 0.29 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.37 1x3b h ARG 54 CO -0.01 0.00 -1.07 0.00 -1.07 0.00 0.00 179.97 177.82 1x3b h ALA 55 N 1.56 -0.11 -1.49 0.04 0.00 -0.75 -3.46 119.26 115.04 1x3b h ALA 55 Ca 0.01 -0.77 -0.64 0.00 0.00 0.00 0.00 54.91 53.52 1x3b h ALA 55 Cb 0.49 0.14 0.12 0.00 0.00 0.00 0.00 17.79 18.53 1x3b h ALA 55 CO -0.00 0.50 -0.29 1.28 0.00 0.00 0.00 179.25 180.74 1x3b n LEU 56 N -3.97 -0.07 -4.78 0.00 4.77 0.62 -4.94 117.00 108.63 1x3b n LEU 56 Ca -0.15 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.65 1x3b n LEU 56 Cb 0.93 -1.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.10 1x3b n LEU 56 CO 0.53 -2.44 0.73 -2.16 -1.33 0.00 0.00 177.39 172.72 1x3b s PRO 57 N -1.26 0.50 0.00 3.23 0.04 -1.26 -4.85 135.00 131.39 1x3b s PRO 57 Ca 0.62 0.05 0.22 0.00 0.04 0.00 0.00 61.00 61.93 1x3b s PRO 57 Cb -0.80 -1.79 1.01 0.00 0.04 0.00 0.00 34.50 32.96 1x3b s PRO 57 CO 0.58 -2.58 1.72 -0.35 0.04 0.00 0.00 177.00 176.40 1x3b n PRO 58 N -3.99 0.12 -0.07 0.56 -0.04 -1.26 -1.49 135.00 128.84 1x3b n PRO 58 Ca 0.10 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1x3b n PRO 58 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.42 0.64 0.18 0.54 3.00 -1.26 -3.78 116.66 114.56 1x3b n ARG 59 Ca 0.07 0.42 0.13 0.00 -0.00 0.00 0.00 57.85 58.47 1x3b n ARG 59 Cb 0.23 -1.70 0.41 0.00 0.00 0.00 0.00 32.46 31.39 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 -0.56 0.00 0.00 -0.14 5.08 -1.92 -2.50 114.58 114.54 1x3b h GLU 60 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1x3b h GLU 60 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1x3b h GLU 60 CO -0.11 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.77 1x3b n ARG 61 N -2.67 0.00 0.21 2.33 0.63 -0.55 -2.70 116.66 113.90 1x3b n ARG 61 Ca 0.03 0.23 0.18 0.00 -0.92 0.00 0.00 57.85 57.37 1x3b n ARG 61 Cb 0.40 -0.97 0.84 0.00 0.45 0.00 0.00 32.46 33.18 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 -0.57 6.15 0.87 -1.70 1.20 113.55 119.51 1x3b h SER 62 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1x3b h SER 62 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1x3b h SER 62 CO 0.00 0.00 0.36 0.03 -0.53 0.00 0.00 176.83 176.69 1x3b h ARG 63 N 0.00 0.71 0.02 2.24 2.47 -1.51 1.13 114.38 119.43 1x3b h ARG 63 Ca 0.09 -0.04 -0.38 0.00 -1.26 0.00 0.00 59.98 58.39 1x3b h ARG 63 Cb 0.59 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 1x3b h ARG 63 CO -0.00 0.47 -2.12 1.28 0.56 0.00 0.00 179.97 180.16 1x3b n LEU 64 N -4.72 2.19 0.29 3.04 4.77 -0.03 -2.63 117.00 119.91 1x3b n LEU 64 Ca 0.04 0.26 0.15 0.00 -0.03 0.00 0.00 56.01 56.43 1x3b n LEU 64 Cb 0.05 -0.91 0.88 0.00 -2.33 0.00 0.00 43.42 41.11 1x3b n LEU 64 CO 0.34 0.59 1.10 -0.07 -1.33 0.00 0.00 177.39 178.02 1x3b h LEU 65 N -0.70 0.00 0.00 2.23 3.38 0.13 -3.31 115.31 117.05 1x3b h LEU 65 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1x3b h LEU 65 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1x3b h LEU 65 CO -0.25 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.91 1x3b n GLY 66 N -1.23 0.29 3.71 0.83 0.00 0.39 -4.90 105.19 104.28 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 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -1.77 6.50 0.01 1.61 -1.08 -1.08 -4.89 116.67 115.97 1x3b s ASP 67 Ca 0.00 2.70 -0.05 0.00 -0.52 0.00 0.00 52.55 54.68 1x3b s ASP 67 Cb 0.00 -2.59 -0.29 0.00 -1.46 0.00 0.00 42.92 38.58 1x3b s ASP 67 CO 0.00 -0.90 0.88 0.00 0.52 0.00 0.00 175.17 175.68 1x3b h ALA 68 N 7.12 0.20 0.05 3.66 0.00 -1.87 -2.81 119.26 125.61 1x3b h ALA 68 Ca -0.43 -1.06 0.03 0.00 0.00 0.00 0.00 54.91 53.44 1x3b h ALA 68 Cb 1.20 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1x3b h ALA 68 CO 0.93 1.06 -0.36 0.87 0.00 0.00 0.00 179.25 181.76 1x3b h LYS 69 N 0.08 -0.53 -0.69 0.00 1.79 -1.93 -0.74 116.57 114.56 1x3b h LYS 69 Ca -0.24 0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1x3b h LYS 69 Cb 2.03 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 32.77 1x3b h LYS 69 CO 0.18 -0.35 0.30 0.93 -1.08 0.00 0.00 179.45 179.43 1x3b h GLU 70 N -0.55 1.02 -0.00 3.15 5.08 -1.88 -2.15 114.58 119.25 1x3b h GLU 70 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1x3b h GLU 70 Cb 0.61 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1x3b h GLU 70 CO -0.25 0.83 -0.00 1.25 -1.00 0.00 0.00 179.01 179.83 1x3b h LEU 71 N 0.97 -0.01 -0.58 1.33 6.46 -1.06 0.23 115.31 122.65 1x3b h LEU 71 Ca 0.23 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 1x3b h LEU 71 Cb 0.17 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 39.99 1x3b h LEU 71 CO -0.02 -0.00 -0.24 0.00 -0.62 0.00 0.00 178.44 177.56 1x3b h ALA 72 N -1.32 0.19 -0.99 1.25 0.00 -1.16 0.37 119.26 117.60 1x3b h ALA 72 Ca 0.00 0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.38 1x3b h ALA 72 Cb 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 17.79 18.21 1x3b h ALA 72 CO -0.00 -0.55 0.01 -1.71 0.00 0.00 0.00 179.25 177.00 1x3b n ASN 73 N -5.43 -0.13 0.06 0.00 2.85 -0.61 0.19 115.26 112.19 1x3b n ASN 73 Ca 0.06 1.69 -0.13 0.00 -0.11 0.00 0.00 54.58 56.09 1x3b n ASN 73 Cb 0.34 -0.61 -0.09 0.00 1.24 0.00 0.00 39.78 40.66 1x3b n ASN 73 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1x3b h ILE 74 N 0.00 1.03 -0.16 -1.44 1.08 0.17 -2.55 117.51 115.63 1x3b h ILE 74 Ca 0.60 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1x3b h ILE 74 Cb 1.22 1.52 -0.07 0.00 -3.07 0.00 0.00 36.82 36.42 1x3b h ILE 74 CO -0.94 0.19 -0.31 -0.07 -0.69 0.00 0.00 178.15 176.33 1x3b h LEU 75 N -0.58 -0.97 -0.70 1.44 3.38 0.20 0.22 115.31 118.30 1x3b h LEU 75 Ca -0.02 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.23 1x3b h LEU 75 Cb 0.45 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 1x3b h LEU 75 CO 0.03 -0.34 -0.28 0.11 0.09 0.00 0.00 178.44 178.05 1x3b h LYS 76 N -0.37 -0.08 0.00 1.13 1.57 0.20 1.66 116.57 120.69 1x3b h LYS 76 Ca 0.11 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1x3b h LYS 76 Cb 0.53 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x3b h LYS 76 CO -0.37 -0.05 -0.09 -0.92 -0.57 0.00 0.00 179.45 177.45 1x3b h TYR 77 N -0.08 0.00 0.00 -1.35 3.20 -0.75 0.01 116.97 118.00 1x3b h TYR 77 Ca 0.30 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1x3b h TYR 77 Cb 0.56 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1x3b h TYR 77 CO -0.64 0.09 -0.17 0.45 -1.64 0.00 0.00 178.16 176.24 1x3b h HIS 78 N 0.00 0.00 -2.97 -3.82 3.86 0.53 -3.45 115.15 109.30 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 0.23 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 1x3b h HIS 78 CO 0.00 0.09 -0.53 0.42 0.86 0.00 0.00 177.93 178.77 1x3b s ILE 79 N -3.18 5.15 0.30 2.45 1.01 0.19 -2.78 121.20 124.35 1x3b s ILE 79 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1x3b s ILE 79 Cb 0.06 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1x3b s ILE 79 CO 0.69 0.19 0.11 0.61 0.00 0.00 0.00 174.94 176.54 1x3b n GLY 80 N 0.52 3.37 1.10 6.18 0.00 0.12 -3.64 105.19 112.85 1x3b n GLY 80 Ca -0.08 -2.27 -0.04 0.00 0.00 0.00 0.00 46.02 43.64 1x3b n GLY 80 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x3b n ASP 81 N -1.54 2.70 -3.64 1.61 2.03 -0.89 -4.02 116.55 112.81 1x3b n ASP 81 Ca -0.07 -3.78 -0.01 0.00 0.52 0.00 0.00 54.79 51.45 1x3b n ASP 81 Cb 0.36 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x3b s GLU 82 N -3.27 0.00 -0.24 -0.67 -1.05 -1.26 -4.97 118.70 107.24 1x3b s GLU 82 Ca 0.42 -0.00 -0.18 0.00 -0.15 0.00 0.00 54.97 55.06 1x3b s GLU 82 Cb 0.38 0.00 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 1x3b s GLU 82 CO -0.04 -0.00 0.51 0.42 0.95 0.00 0.00 175.26 177.10 1x3b s ILE 83 N -2.00 5.08 -0.14 1.83 -1.09 -1.26 -3.60 121.20 120.02 1x3b s ILE 83 Ca 0.12 0.90 0.01 0.00 -2.23 0.00 0.00 60.65 59.46 1x3b s ILE 83 Cb 0.00 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1x3b s ILE 83 CO -0.03 0.12 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.42 1x3b s LEU 84 N 2.07 1.80 0.08 2.97 0.20 -1.26 -5.08 118.68 119.46 1x3b s LEU 84 Ca 0.22 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.56 1x3b s LEU 84 Cb -0.16 -1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 44.34 1x3b s LEU 84 CO 0.09 -0.02 -0.09 0.68 -0.29 0.00 0.00 176.35 176.72 1x3b s VAL 85 N 1.28 0.80 -0.90 1.68 -7.23 -1.26 -4.91 120.40 109.86 1x3b s VAL 85 Ca 0.01 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 1x3b s VAL 85 Cb -0.14 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1x3b s VAL 85 CO -0.08 -0.57 2.06 -1.54 -0.31 0.00 0.00 175.10 174.65 1x3b n SER 86 N 0.67 3.88 -0.11 4.85 3.41 -1.26 -4.15 113.62 120.91 1x3b n SER 86 Ca -0.17 -2.52 -0.16 0.00 -0.26 0.00 0.00 58.87 55.76 1x3b n SER 86 Cb 0.57 -1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 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 4.12 -0.31 2.69 5.00 0.00 -1.26 -4.89 105.19 110.54 1x3b n GLY 87 Ca 0.48 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1x3b n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x3b s GLY 88 N -6.05 -0.62 -0.45 -0.02 0.00 -1.26 -5.10 107.32 93.82 1x3b s GLY 88 Ca -0.30 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.40 1x3b s GLY 88 CO 0.50 3.26 0.32 -0.42 0.00 0.00 0.00 173.10 176.76 1x3b s ILE 89 N 0.73 4.53 0.40 0.90 -1.09 -1.26 -4.93 121.20 120.47 1x3b s ILE 89 Ca 0.30 -1.40 0.07 0.00 -2.23 0.00 0.00 60.65 57.39 1x3b s ILE 89 Cb 0.00 -3.80 0.23 0.00 -1.58 0.00 0.00 42.46 37.31 1x3b s ILE 89 CO -0.09 -0.60 2.01 1.23 -1.23 0.00 0.00 174.94 176.26 1x3b h GLY 90 N 8.53 0.51 0.00 6.18 0.00 -1.99 -3.45 103.07 112.85 1x3b h GLY 90 Ca -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1x3b h GLY 90 CO 0.83 0.21 0.00 0.00 0.00 0.00 0.00 176.54 177.58 1x3b n ALA 91 N -2.48 0.00 -2.82 3.60 0.00 -1.26 -5.09 120.51 112.46 1x3b n ALA 91 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1x3b n ALA 91 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 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 -4.19 2.21 0.02 0.00 1.98 -1.26 -3.83 118.68 113.61 1x3b s LEU 92 Ca 0.00 -0.57 0.01 0.00 -2.89 0.00 0.00 54.13 50.69 1x3b s LEU 92 Cb 0.00 0.19 -0.01 0.00 0.66 0.00 0.00 46.19 47.03 1x3b s LEU 92 CO 0.00 -0.37 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.35 1x3b s VAL 93 N -1.94 0.37 -0.39 1.68 1.01 -0.32 -5.01 120.40 115.80 1x3b s VAL 93 Ca -0.11 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1x3b s VAL 93 Cb -0.06 -0.40 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1x3b s VAL 93 CO -0.03 -0.19 0.20 -0.13 0.00 0.00 0.00 175.10 174.96 1x3b s ARG 94 N -0.89 2.56 -0.34 2.72 0.52 -1.26 -2.06 118.95 120.20 1x3b s ARG 94 Ca -0.06 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 53.55 1x3b s ARG 94 Cb -0.06 -3.66 -0.00 0.00 0.52 0.00 0.00 34.95 31.75 1x3b s ARG 94 CO -0.00 -0.87 0.64 -1.17 0.02 0.00 0.00 175.30 173.92 1x3b s LEU 95 N 1.39 4.22 0.04 2.53 0.20 0.50 -4.88 118.68 122.68 1x3b s LEU 95 Ca 0.02 0.23 -0.31 0.00 0.69 0.00 0.00 54.13 54.76 1x3b s LEU 95 Cb -0.22 -2.80 -0.07 0.00 -0.43 0.00 0.00 46.19 42.67 1x3b s LEU 95 CO 0.02 -0.57 1.46 -0.75 -0.29 0.00 0.00 176.35 176.22 1x3b s LYS 96 N 2.70 4.27 0.73 1.98 2.20 -1.26 0.18 119.74 130.53 1x3b s LYS 96 Ca 0.25 2.08 -0.01 0.00 -0.36 0.00 0.00 55.97 57.93 1x3b s LYS 96 Cb -0.15 -3.51 0.13 0.00 -1.51 0.00 0.00 37.83 32.79 1x3b s LYS 96 CO 0.14 -0.59 1.00 -1.54 -0.36 0.00 0.00 175.35 174.00 1x3b s SER 97 N 1.85 4.30 0.24 1.43 1.04 -0.30 -2.09 113.70 120.17 1x3b s SER 97 Ca 0.66 -0.38 0.20 0.00 0.48 0.00 0.00 55.95 56.91 1x3b s SER 97 Cb -0.35 0.02 0.05 0.00 0.10 0.00 0.00 66.02 65.85 1x3b s SER 97 CO 0.29 -1.90 1.19 -0.07 0.98 0.00 0.00 173.24 173.73 1x3b h LEU 98 N -0.56 0.00 0.00 2.42 3.38 -1.66 -3.20 115.31 115.70 1x3b h LEU 98 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1x3b h LEU 98 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1x3b h LEU 98 CO 0.40 0.23 0.00 1.67 0.09 0.00 0.00 178.44 180.83 1x3b n GLN 99 N -2.93 1.00 0.00 1.13 -0.06 -1.26 -4.89 117.38 110.37 1x3b n GLN 99 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1x3b n GLN 99 Cb 0.65 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.39 1x3b n GLN 99 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x3b n GLY 100 N 0.93 2.93 3.76 1.69 0.00 -1.21 -5.02 105.19 108.27 1x3b n GLY 100 Ca 0.21 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 5.80 -0.23 1.61 1.01 -1.26 -4.47 116.67 119.13 1x3b s ASP 101 Ca 0.00 2.70 -0.11 0.00 0.71 0.00 0.00 52.55 55.85 1x3b s ASP 101 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1x3b s ASP 101 CO 0.00 -1.20 0.19 -0.54 0.21 0.00 0.00 175.17 173.82 1x3b s LYS 102 N -2.61 4.10 0.59 8.23 3.01 -1.26 -1.15 119.74 130.65 1x3b s LYS 102 Ca 0.64 -0.20 -0.15 0.00 -1.01 0.00 0.00 55.97 55.25 1x3b s LYS 102 Cb -0.39 -3.52 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1x3b s LYS 102 CO 0.48 0.08 1.03 -0.51 0.51 0.00 0.00 175.35 176.94 1x3b s LEU 103 N 0.99 3.46 -0.13 3.17 1.43 0.47 -4.78 118.68 123.29 1x3b s LEU 103 Ca 0.09 1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1x3b s LEU 103 Cb -0.13 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1x3b s LEU 103 CO 0.04 -0.99 -0.05 -1.61 0.23 0.00 0.00 176.35 173.97 1x3b s GLU 104 N -4.34 3.44 -0.07 1.70 2.02 -1.26 -0.37 118.70 119.83 1x3b s GLU 104 Ca 0.60 -0.53 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 1x3b s GLU 104 Cb -0.13 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.31 1x3b s GLU 104 CO 0.40 0.35 0.15 0.08 0.02 0.00 0.00 175.26 176.25 1x3b s VAL 105 N 0.07 -0.06 0.16 2.63 1.01 -0.87 -1.29 120.40 122.05 1x3b s VAL 105 Ca -0.01 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1x3b s VAL 105 Cb -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1x3b s VAL 105 CO 0.03 0.08 0.18 -0.94 0.00 0.00 0.00 175.10 174.45 1x3b s SER 106 N 1.23 0.16 -0.24 3.32 1.04 -1.21 -1.17 113.70 116.82 1x3b s SER 106 Ca -0.09 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1x3b s SER 106 Cb -0.12 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1x3b s SER 106 CO -0.06 -0.83 -0.11 -0.22 0.98 0.00 0.00 173.24 173.00 1x3b s LEU 107 N -3.02 3.10 -0.01 2.42 2.96 -1.25 -2.79 118.68 120.09 1x3b s LEU 107 Ca 0.23 -1.25 0.02 0.00 -0.22 0.00 0.00 54.13 52.90 1x3b s LEU 107 Cb 0.05 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1x3b s LEU 107 CO 0.03 -0.17 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.29 1x3b s LYS 108 N 1.18 0.50 -1.90 1.98 1.02 -0.48 -4.74 119.74 117.31 1x3b s LYS 108 Ca -0.06 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1x3b s LYS 108 Cb -0.19 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1x3b s LYS 108 CO -0.06 0.07 0.00 0.09 -0.92 0.00 0.00 175.35 174.53 1x3b n ASN 109 N 3.21 -5.53 -0.05 2.83 3.02 -1.26 0.58 115.26 118.07 1x3b n ASN 109 Ca -0.16 0.44 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1x3b n ASN 109 Cb 0.56 -4.60 -0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 -1.26 -3.55 -4.60 6.41 5.15 -1.26 -5.00 115.26 111.14 1x3b n ASN 110 Ca -0.18 0.02 -0.34 0.00 -0.60 0.00 0.00 54.58 53.48 1x3b n ASN 110 Cb 0.65 -1.11 -0.11 0.00 -0.53 0.00 0.00 39.78 38.68 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 -1.86 3.81 0.01 3.44 1.01 0.20 -5.11 120.40 121.89 1x3b s VAL 111 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1x3b s VAL 111 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1x3b s VAL 111 CO 0.00 0.60 0.30 -0.69 0.00 0.00 0.00 175.10 175.31 1x3b s VAL 112 N -0.82 5.25 0.06 2.92 1.01 -1.26 -1.38 120.40 126.18 1x3b s VAL 112 Ca 0.12 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1x3b s VAL 112 Cb -0.11 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1x3b s VAL 112 CO 0.02 0.40 -0.08 -0.44 0.00 0.00 0.00 175.10 174.99 1x3b s SER 113 N -1.58 1.00 -0.25 3.32 0.01 -1.12 -2.54 113.70 112.54 1x3b s SER 113 Ca 0.27 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 1x3b s SER 113 Cb -0.14 0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.22 1x3b s SER 113 CO 0.15 -0.27 0.09 0.54 0.41 0.00 0.00 173.24 174.16 1x3b s VAL 114 N -2.04 0.31 -0.46 3.43 0.11 0.09 -3.31 120.40 118.53 1x3b s VAL 114 Ca -0.03 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1x3b s VAL 114 Cb -0.05 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1x3b s VAL 114 CO -0.01 -0.50 0.17 0.59 -3.33 0.00 0.00 175.10 172.03 1x3b n ASN 115 N 5.11 -2.86 -1.02 3.54 3.02 -0.41 -2.67 115.26 119.97 1x3b n ASN 115 Ca -0.06 -0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 1x3b n ASN 115 Cb 0.45 -1.80 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 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 -1.70 -0.79 -5.05 3.52 5.02 -1.26 -5.01 118.16 112.89 1x3b n LYS 116 Ca -0.03 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.61 1x3b n LYS 116 Cb 0.54 -4.69 -0.14 0.00 -0.02 0.00 0.00 35.03 30.71 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 2.24 0.12 1.97 2.02 -1.09 -5.11 118.70 115.06 1x3b s GLU 117 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 1x3b s GLU 117 Cb 0.00 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.98 1x3b s GLU 117 CO 0.00 0.58 1.14 -1.25 0.02 0.00 0.00 175.26 175.75 1x3b s PRO 118 N -0.79 4.51 0.39 0.39 0.04 -1.26 -0.73 135.00 137.54 1x3b s PRO 118 Ca 0.11 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1x3b s PRO 118 Cb -0.10 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1x3b s PRO 118 CO 0.00 -0.09 0.64 0.08 0.04 0.00 0.00 177.00 177.68 1x3b s VAL 119 N 0.42 5.01 0.00 -0.36 1.01 -1.05 -3.17 120.40 122.26 1x3b s VAL 119 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 119 Cb -0.29 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1x3b s VAL 119 CO 0.32 -0.62 0.00 0.00 0.00 0.00 0.00 175.10 174.80 1x3b n ALA 120 N -1.78 0.00 -3.64 5.51 0.00 0.68 -4.77 120.51 116.52 1x3b n ALA 120 Ca -0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 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 -0.25 1.31 1.11 0.00 0.41 -0.95 -4.99 118.70 115.34 1x3b s GLU 121 Ca 0.00 -2.17 -0.19 0.00 -0.41 0.00 0.00 54.97 52.20 1x3b s GLU 121 Cb 0.00 -2.18 0.27 0.00 -1.78 0.00 0.00 34.13 30.43 1x3b s GLU 121 CO 0.00 -1.24 1.22 -0.35 -0.49 0.00 0.00 175.26 174.40 1x3b n PRO 122 N 3.18 -2.22 -2.42 0.39 -0.04 -1.26 -3.25 135.00 129.38 1x3b n PRO 122 Ca 0.16 -1.92 -0.08 0.00 -0.04 0.00 0.00 63.50 61.62 1x3b n PRO 122 Cb 0.38 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1x3b n PRO 122 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x3b n ASP 123 N -4.37 -4.48 -4.14 3.54 2.03 -1.23 -4.93 116.55 102.97 1x3b n ASP 123 Ca 0.16 -0.37 -0.38 0.00 0.52 0.00 0.00 54.79 54.72 1x3b n ASP 123 Cb 0.59 -3.01 -0.09 0.00 -0.72 0.00 0.00 41.12 37.89 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 -3.20 3.95 0.16 5.18 1.01 -0.45 -4.98 121.20 122.87 1x3b s ILE 124 Ca 0.24 -2.66 -0.31 0.00 0.00 0.00 0.00 60.65 57.92 1x3b s ILE 124 Cb -0.03 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 1x3b s ILE 124 CO 0.39 -0.86 1.50 -0.04 0.00 0.00 0.00 174.94 175.93 1x3b s MET 125 N 0.27 4.25 0.43 2.79 -1.94 -1.26 -0.68 119.30 123.16 1x3b s MET 125 Ca 0.15 2.27 0.07 0.00 -1.71 0.00 0.00 55.69 56.46 1x3b s MET 125 Cb -0.20 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 1x3b s MET 125 CO -0.04 -0.54 0.19 0.00 -0.01 0.00 0.00 175.02 174.62 1x3b s ALA 126 N 1.02 3.71 -0.55 3.03 0.00 0.29 -4.93 121.76 124.32 1x3b s ALA 126 Ca 0.67 -1.89 0.24 0.00 0.00 0.00 0.00 51.96 50.98 1x3b s ALA 126 Cb -0.41 -0.37 0.94 0.00 0.00 0.00 0.00 23.12 23.27 1x3b s ALA 126 CO 0.32 -0.19 1.71 0.25 0.00 0.00 0.00 175.76 177.85 1x3b n THR 127 N -1.29 0.79 -2.69 0.00 -2.24 -1.26 -3.88 114.28 103.71 1x3b n THR 127 Ca -0.03 0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1x3b n THR 127 Cb 0.65 -1.06 0.08 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.19 -1.67 0.00 3.42 6.94 -1.26 -4.99 115.26 115.51 1x3b n ASN 128 Ca 0.03 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 1x3b n ASN 128 Cb 0.26 1.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.69 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 -0.57 -1.19 3.38 4.83 0.00 -1.25 -3.56 105.19 106.82 1x3b n GLY 129 Ca -0.11 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.46 0.84 0.03 1.61 0.11 -1.23 0.11 120.40 119.41 1x3b s VAL 130 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1x3b s VAL 130 Cb 0.00 -2.70 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1x3b s VAL 130 CO 0.00 0.00 0.26 -0.69 -3.33 0.00 0.00 175.10 171.34 1x3b s VAL 131 N -3.53 0.09 -0.30 2.04 1.01 0.14 -3.19 120.40 116.65 1x3b s VAL 131 Ca 0.37 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1x3b s VAL 131 Cb 0.08 -0.84 0.11 0.00 0.00 0.00 0.00 36.38 35.74 1x3b s VAL 131 CO 0.15 -0.39 0.17 -1.00 0.00 0.00 0.00 175.10 174.02 1x3b s HIS 132 N -2.25 0.26 0.02 5.22 3.76 -0.87 -1.34 115.29 120.09 1x3b s HIS 132 Ca -0.07 -0.89 -0.31 0.00 -0.15 0.00 0.00 55.06 53.63 1x3b s HIS 132 Cb -0.02 -0.84 -0.10 0.00 1.11 0.00 0.00 32.58 32.73 1x3b s HIS 132 CO -0.02 -0.84 1.94 0.28 -0.85 0.00 0.00 174.74 175.25 1x3b n VAL 133 N 5.07 0.69 -2.97 -0.90 0.31 -1.20 -3.55 118.33 115.78 1x3b n VAL 133 Ca -0.03 -0.12 -0.18 0.00 -0.01 0.00 0.00 64.34 64.00 1x3b n VAL 133 Cb 0.42 -2.20 0.02 0.00 -0.91 0.00 0.00 33.84 31.17 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 4.21 2.82 -0.15 2.52 -4.36 -0.00 0.25 121.20 126.48 1x3b s ILE 134 Ca 0.89 -0.96 0.17 0.00 -0.26 0.00 0.00 60.65 60.49 1x3b s ILE 134 Cb -0.50 -2.86 0.32 0.00 1.25 0.00 0.00 42.46 40.68 1x3b s ILE 134 CO 0.44 0.00 1.17 0.35 0.24 0.00 0.00 174.94 177.14 1x3b n THR 135 N -1.98 1.97 -3.59 8.37 -2.24 -1.19 -2.25 114.28 113.37 1x3b n THR 135 Ca 0.09 -2.50 -0.10 0.00 -2.27 0.00 0.00 64.05 59.28 1x3b n THR 135 Cb 0.59 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1x3b n THR 135 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1x3b s ASN 136 N -2.95 -0.36 -0.31 3.42 -0.87 -1.26 -4.68 114.94 107.92 1x3b s ASN 136 Ca 0.34 0.48 -0.29 0.00 -1.57 0.00 0.00 52.86 51.81 1x3b s ASN 136 Cb 0.30 0.41 0.00 0.00 -0.02 0.00 0.00 41.25 41.94 1x3b s ASN 136 CO 0.01 -0.28 1.31 -0.69 -2.57 0.00 0.00 177.10 174.88 1x3b s VAL 137 N -0.79 4.11 0.75 1.60 1.01 -1.26 -4.72 120.40 121.10 1x3b s VAL 137 Ca -0.00 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.10 1x3b s VAL 137 Cb -0.02 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1x3b s VAL 137 CO -0.01 -0.51 1.11 -0.76 0.00 0.00 0.00 175.10 174.93 1x3b s LEU 138 N 4.50 3.15 0.00 3.92 1.43 -1.26 -5.06 118.68 125.36 1x3b s LEU 138 Ca 0.57 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1x3b s LEU 138 Cb -0.16 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 1x3b s LEU 138 CO 0.24 -2.05 0.08 -1.10 0.23 0.00 0.00 176.35 173.76 1x3b s GLN 139 N -4.53 0.36 0.85 1.70 -0.21 -1.26 -5.06 119.66 111.52 1x3b s GLN 139 Ca 0.65 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.54 1x3b s GLN 139 Cb -0.20 0.15 0.10 0.00 1.00 0.00 0.00 33.01 34.06 1x3b s GLN 139 CO 0.51 -0.08 1.12 -1.25 -2.12 0.00 0.00 175.29 173.47 1x3b s PRO 140 N -1.15 1.61 0.24 2.91 0.04 -1.26 -4.98 135.00 132.41 1x3b s PRO 140 Ca -0.12 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 1x3b s PRO 140 Cb -0.07 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1x3b s PRO 140 CO 0.01 -1.91 1.40 -1.54 0.04 0.00 0.00 177.00 175.00 1x3b s SER 141 N -3.97 6.72 0.00 6.66 1.04 -1.26 -4.92 113.70 117.98 1x3b s SER 141 Ca 0.62 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.65 1x3b s SER 141 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1x3b s SER 141 CO 0.54 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x3b n GLY 142 N 2.23 0.23 3.59 7.32 0.00 -1.26 -5.08 105.19 112.22 1x3b n GLY 142 Ca 0.07 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1x3b n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3b s PRO 143 N -1.85 3.37 -0.41 1.61 0.04 -1.26 -4.94 135.00 131.56 1x3b s PRO 143 Ca 0.00 0.71 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1x3b s PRO 143 Cb 0.00 -4.10 0.13 0.00 0.04 0.00 0.00 34.50 30.57 1x3b s PRO 143 CO 0.00 -1.84 0.22 -1.54 0.04 0.00 0.00 177.00 173.89 1x3b s SER 144 N 4.54 3.52 0.54 6.66 1.04 -1.26 -5.08 113.70 123.65 1x3b s SER 144 Ca 0.58 -2.47 0.00 0.00 0.48 0.00 0.00 55.95 54.54 1x3b s SER 144 Cb -0.13 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1x3b s SER 144 CO 0.28 -0.28 0.00 -0.24 0.98 0.00 0.00 173.24 173.98 1x3b n SER 145 N 3.72 -7.84 0.00 7.02 2.88 -1.26 -5.25 113.62 112.89 1x3b n SER 145 Ca 0.09 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1x3b n SER 145 Cb 0.35 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.09 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42