#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b s SER 2 N 0.00 6.26 0.12 1.61 1.04 -1.26 -4.96 113.70 116.51 1x3b s SER 2 Ca 0.00 1.88 -0.33 0.00 0.48 0.00 0.00 55.95 57.98 1x3b s SER 2 Cb 0.00 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 1x3b s SER 2 CO 0.00 -0.83 1.56 -1.28 0.98 0.00 0.00 173.24 173.67 1x3b h SER 3 N 1.30 -1.61 0.00 7.02 0.87 -1.94 -3.46 113.55 115.73 1x3b h SER 3 Ca -0.49 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x3b h SER 3 Cb 1.22 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 1x3b h SER 3 CO 0.59 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 1x3b n GLY 4 N -1.45 -0.00 3.22 5.77 0.00 -1.26 -5.18 105.19 106.29 1x3b n GLY 4 Ca -0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 1.35 -0.18 1.61 0.01 -1.26 -5.08 113.70 110.15 1x3b s SER 5 Ca 0.00 -1.07 -0.14 0.00 1.31 0.00 0.00 55.95 56.05 1x3b s SER 5 Cb 0.00 0.07 -0.08 0.00 0.21 0.00 0.00 66.02 66.23 1x3b s SER 5 CO 0.00 -0.47 -0.16 -1.20 0.41 0.00 0.00 173.24 171.82 1x3b n SER 6 N -0.16 1.87 0.20 2.44 7.64 -1.26 -4.63 113.62 119.72 1x3b n SER 6 Ca -0.10 0.49 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 1x3b n SER 6 Cb 0.62 -0.85 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 1x3b n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1x3b h GLY 7 N -1.00 -0.54 -2.42 0.23 0.00 -2.09 -3.50 103.07 93.75 1x3b h GLY 7 Ca -0.14 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1x3b h GLY 7 CO -0.09 -0.20 -0.57 1.03 0.00 0.00 0.00 176.54 176.72 1x3b n MET 8 N -5.19 -3.07 -3.70 4.80 0.00 -1.26 -5.02 117.12 103.68 1x3b n MET 8 Ca -0.10 2.22 -0.25 0.00 0.00 0.00 0.00 57.70 59.57 1x3b n MET 8 Cb 0.28 -2.46 -0.17 0.00 0.00 0.00 0.00 33.22 30.88 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 -1.77 0.50 0.86 3.03 0.00 -1.26 -5.04 107.32 103.64 1x3b s GLY 9 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 1x3b s GLY 9 CO 0.00 1.46 1.14 -1.30 0.00 0.00 0.00 173.10 174.40 1x3b n THR 10 N 5.16 1.08 -0.36 0.90 -2.24 -1.26 -3.87 114.28 113.69 1x3b n THR 10 Ca -0.07 -0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1x3b n THR 10 Cb 0.49 -1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1x3b n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x3b n VAL 11 N -3.71 -0.52 0.19 2.28 3.14 -1.26 0.17 118.33 118.62 1x3b n VAL 11 Ca 0.13 2.14 -0.15 0.00 -2.96 0.00 0.00 64.34 63.50 1x3b n VAL 11 Cb 0.51 -2.77 -0.08 0.00 -1.06 0.00 0.00 33.84 30.44 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 -0.43 -0.80 1.45 2.86 -1.89 -2.73 114.93 113.40 1x3b h MET 12 Ca 0.26 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 58.10 1x3b h MET 12 Cb 0.48 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.13 1x3b h MET 12 CO -0.88 -0.23 0.28 -0.44 1.06 0.00 0.00 176.91 176.70 1x3b h ASP 13 N -0.53 0.18 -0.97 1.22 5.19 -0.84 0.83 116.42 121.50 1x3b h ASP 13 Ca -0.05 0.14 0.21 0.00 -0.62 0.00 0.00 57.03 56.71 1x3b h ASP 13 Cb 0.40 0.15 -0.09 0.00 0.18 0.00 0.00 39.33 39.97 1x3b h ASP 13 CO 0.07 0.01 0.62 0.58 -3.12 0.00 0.00 179.24 177.40 1x3b h VAL 14 N 0.36 0.66 -0.09 -1.35 2.07 0.21 0.80 116.25 118.91 1x3b h VAL 14 Ca 0.46 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 67.57 1x3b h VAL 14 Cb 0.80 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x3b h VAL 14 CO -0.49 0.10 -0.85 -0.07 0.02 0.00 0.00 177.57 176.28 1x3b h LEU 15 N 0.54 0.82 -0.72 2.57 3.38 0.79 -2.67 115.31 120.02 1x3b h LEU 15 Ca 0.53 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1x3b h LEU 15 Cb 1.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1x3b h LEU 15 CO -0.27 1.36 0.25 0.11 0.09 0.00 0.00 178.44 179.99 1x3b h LYS 16 N 0.43 1.10 0.25 1.13 1.57 0.16 -2.99 116.57 118.22 1x3b h LYS 16 Ca -0.07 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1x3b h LYS 16 Cb 1.47 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1x3b h LYS 16 CO 0.16 0.93 -0.14 0.78 -0.57 0.00 0.00 179.45 180.62 1x3b h GLY 17 N 1.05 -0.37 -4.38 3.86 0.00 0.40 -3.41 103.07 100.21 1x3b h GLY 17 Ca 0.24 0.15 -0.53 0.00 0.00 0.00 0.00 47.33 47.19 1x3b h GLY 17 CO -0.01 -0.14 0.66 0.99 0.00 0.00 0.00 176.54 178.04 1x3b s ASP 18 N -4.88 6.91 0.09 0.19 1.11 -1.01 -4.91 116.67 114.16 1x3b s ASP 18 Ca -0.15 2.31 -0.03 0.00 0.18 0.00 0.00 52.55 54.86 1x3b s ASP 18 Cb 0.05 -2.60 -0.26 0.00 1.07 0.00 0.00 42.92 41.18 1x3b s ASP 18 CO 0.65 -0.56 1.17 0.78 1.18 0.00 0.00 175.17 178.39 1x3b h ASN 19 N 6.10 0.36 -0.99 0.27 4.21 -1.81 -3.25 115.58 120.48 1x3b h ASN 19 Ca -0.43 -0.39 0.21 0.00 1.21 0.00 0.00 56.30 56.90 1x3b h ASN 19 Cb 1.21 -0.12 -0.10 0.00 -1.12 0.00 0.00 38.32 38.20 1x3b h ASN 19 CO 0.81 1.30 0.62 0.03 -1.29 0.00 0.00 177.43 178.89 1x3b h ARG 20 N 0.07 0.62 -1.19 0.81 3.08 -1.91 0.83 114.38 116.69 1x3b h ARG 20 Ca -0.11 -0.04 -0.65 0.00 0.07 0.00 0.00 59.98 59.25 1x3b h ARG 20 Cb 1.92 -0.14 -0.34 0.00 0.08 0.00 0.00 29.97 31.50 1x3b h ARG 20 CO 0.19 0.41 0.29 1.19 -1.07 0.00 0.00 179.97 180.98 1x3b n PHE 21 N -4.70 3.08 0.01 3.04 3.72 -1.23 -4.04 117.46 117.35 1x3b n PHE 21 Ca 0.23 -2.70 -0.02 0.00 -0.05 0.00 0.00 57.45 54.91 1x3b n PHE 21 Cb 0.65 -0.96 -0.01 0.00 -0.94 0.00 0.00 39.48 38.22 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 2.31 -0.12 -1.03 4.37 4.64 -0.89 -3.12 113.55 119.70 1x3b h SER 22 Ca 0.50 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 62.12 1x3b h SER 22 Cb 0.86 0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 62.86 1x3b h SER 22 CO 1.26 0.34 0.62 0.24 -0.87 0.00 0.00 176.83 178.43 1x3b h MET 23 N -1.01 0.42 0.31 4.77 2.86 -1.83 0.15 114.93 120.60 1x3b h MET 23 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1x3b h MET 23 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1x3b h MET 23 CO 0.02 0.28 -0.25 1.25 1.06 0.00 0.00 176.91 179.27 1x3b h LEU 24 N 0.43 -0.66 -0.54 1.22 5.85 -1.90 -2.53 115.31 117.17 1x3b h LEU 24 Ca 0.68 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.52 1x3b h LEU 24 Cb 1.51 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 42.67 1x3b h LEU 24 CO -0.48 -0.38 -0.52 0.58 -0.34 0.00 0.00 178.44 177.29 1x3b h VAL 25 N -0.58 0.03 -1.32 1.05 2.07 -0.66 1.14 116.25 117.98 1x3b h VAL 25 Ca -0.02 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.91 1x3b h VAL 25 Cb 0.51 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 1x3b h VAL 25 CO -0.02 0.00 0.87 0.00 0.02 0.00 0.00 177.57 178.44 1x3b h ALA 26 N 0.25 2.77 0.08 1.67 0.00 -1.19 1.14 119.26 123.99 1x3b h ALA 26 Ca 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x3b h ALA 26 Cb 0.56 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x3b h ALA 26 CO -0.67 -1.34 -0.04 0.00 0.00 0.00 0.00 179.25 177.20 1x3b h ALA 27 N 1.54 -0.11 -0.07 0.00 0.00 0.17 0.13 119.26 120.93 1x3b h ALA 27 Ca 0.78 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.58 1x3b h ALA 27 Cb 2.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1x3b h ALA 27 CO -0.34 -0.45 -0.02 0.82 0.00 0.00 0.00 179.25 179.26 1x3b h ILE 28 N -0.33 0.93 -0.44 0.00 2.04 0.21 0.69 117.51 120.61 1x3b h ILE 28 Ca -0.01 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1x3b h ILE 28 Cb 0.28 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1x3b h ILE 28 CO 0.02 0.00 0.08 -0.61 0.00 0.00 0.00 178.15 177.64 1x3b h GLN 29 N 0.00 0.21 -0.18 2.37 -0.00 -0.51 1.16 115.11 118.16 1x3b h GLN 29 Ca 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1x3b h GLN 29 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1x3b h GLN 29 CO -0.07 0.14 0.05 1.03 0.00 0.00 0.00 178.83 179.98 1x3b h SER 30 N 0.21 0.26 -0.24 -0.69 0.87 -0.24 -2.45 113.55 111.28 1x3b h SER 30 Ca 0.21 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1x3b h SER 30 Cb 0.27 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1x3b h SER 30 CO -0.28 0.40 0.11 0.00 -0.53 0.00 0.00 176.83 176.53 1x3b h ALA 31 N 0.87 1.66 -0.33 6.23 0.00 0.11 -3.46 119.26 124.34 1x3b h ALA 31 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x3b h ALA 31 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x3b h ALA 31 CO -0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1x3b n GLY 32 N -1.28 1.01 0.01 0.00 0.00 0.39 -4.90 105.19 100.42 1x3b n GLY 32 Ca 0.01 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.16 0.02 0.04 0.99 4.77 -0.36 -4.29 117.00 118.01 1x3b n LEU 33 Ca 0.00 -0.01 0.22 0.00 -0.03 0.00 0.00 56.01 56.19 1x3b n LEU 33 Cb 0.29 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.10 1x3b n LEU 33 CO 0.00 0.01 1.19 0.74 -1.33 0.00 0.00 177.39 178.00 1x3b h THR 34 N 0.00 0.37 0.08 -5.08 2.02 -1.88 0.06 112.91 108.49 1x3b h THR 34 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x3b h THR 34 Cb 0.87 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1x3b h THR 34 CO 0.00 0.00 -0.04 -0.33 0.37 0.00 0.00 175.52 175.52 1x3b h GLU 35 N 0.00 -0.11 -0.57 6.66 5.08 -1.91 -2.26 114.58 121.47 1x3b h GLU 35 Ca 0.24 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 1x3b h GLU 35 Cb 1.26 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1x3b h GLU 35 CO -0.00 0.40 0.40 1.15 -1.00 0.00 0.00 179.01 179.96 1x3b h THR 36 N -0.91 0.79 -0.01 1.13 2.02 -1.34 1.23 112.91 115.82 1x3b h THR 36 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1x3b h THR 36 Cb 0.56 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1x3b h THR 36 CO 0.02 0.03 -0.01 0.18 0.37 0.00 0.00 175.52 176.11 1x3b n LEU 37 N -4.42 1.25 0.02 2.58 4.77 -0.16 -3.41 117.00 117.63 1x3b n LEU 37 Ca 0.10 -0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 1x3b n LEU 37 Cb 0.53 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1x3b n LEU 37 CO 0.35 0.21 -0.37 -3.20 -1.33 0.00 0.00 177.39 173.05 1x3b n ASN 38 N -0.05 0.79 -4.81 -1.43 2.85 0.42 -4.56 115.26 108.47 1x3b n ASN 38 Ca 0.19 0.35 -0.37 0.00 -0.11 0.00 0.00 54.58 54.64 1x3b n ASN 38 Cb 0.32 0.26 -0.06 0.00 1.24 0.00 0.00 39.78 41.54 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x3b s ARG 39 N -2.91 4.28 0.93 1.20 0.52 -0.90 -5.04 118.95 117.04 1x3b s ARG 39 Ca -0.04 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 1x3b s ARG 39 Cb 0.09 -3.03 0.09 0.00 0.52 0.00 0.00 34.95 32.62 1x3b s ARG 39 CO 0.82 0.49 0.78 -0.85 0.02 0.00 0.00 175.30 176.56 1x3b n GLU 40 N 1.10 -0.36 0.00 3.54 0.28 -1.26 -4.82 120.64 119.13 1x3b n GLU 40 Ca -0.05 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1x3b n GLU 40 Cb 0.51 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.25 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 0.89 0.37 3.24 -1.84 0.00 -1.25 -5.08 105.19 101.51 1x3b n GLY 41 Ca 0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.63 -0.03 -0.27 1.61 -7.23 -1.25 -4.35 120.40 108.25 1x3b s VAL 42 Ca 0.00 0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.21 1x3b s VAL 42 Cb 0.00 -0.57 0.13 0.00 0.56 0.00 0.00 36.38 36.50 1x3b s VAL 42 CO 0.00 0.04 0.54 -0.31 -0.31 0.00 0.00 175.10 175.07 1x3b s TYR 43 N 1.37 -1.20 -0.57 2.82 2.02 -1.26 -3.93 117.35 116.61 1x3b s TYR 43 Ca -0.09 1.79 -0.20 0.00 -0.37 0.00 0.00 57.07 58.20 1x3b s TYR 43 Cb -0.09 0.52 0.08 0.00 -0.40 0.00 0.00 41.96 42.08 1x3b s TYR 43 CO -0.12 -0.68 0.71 0.99 -1.57 0.00 0.00 175.55 174.88 1x3b s THR 44 N 2.77 4.77 0.20 -0.71 2.01 -1.19 -3.63 115.64 119.86 1x3b s THR 44 Ca 0.04 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1x3b s THR 44 Cb -0.13 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1x3b s THR 44 CO -0.17 -1.04 0.19 -0.69 -0.69 0.00 0.00 174.62 172.22 1x3b s VAL 45 N 2.86 4.64 -0.18 3.82 1.01 -1.24 -0.64 120.40 130.67 1x3b s VAL 45 Ca 0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1x3b s VAL 45 Cb -0.21 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1x3b s VAL 45 CO 0.09 -0.20 -0.03 -0.36 0.00 0.00 0.00 175.10 174.60 1x3b s PHE 46 N -1.89 1.58 -0.29 5.22 0.08 -1.14 -2.12 117.98 119.42 1x3b s PHE 46 Ca 0.32 -1.07 -0.09 0.00 0.12 0.00 0.00 56.93 56.21 1x3b s PHE 46 Cb -0.09 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1x3b s PHE 46 CO 0.25 -0.62 0.13 0.00 -0.10 0.00 0.00 175.22 174.88 1x3b s ALA 47 N 1.67 3.24 1.00 5.36 0.00 -1.24 -4.82 121.76 126.98 1x3b s ALA 47 Ca -0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1x3b s ALA 47 Cb -0.16 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1x3b s ALA 47 CO -0.07 -0.79 0.05 -0.35 0.00 0.00 0.00 175.76 174.60 1x3b n PRO 48 N 4.96 -0.57 -2.89 0.00 -0.04 -1.26 -0.75 135.00 134.45 1x3b n PRO 48 Ca -0.14 -0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 1x3b n PRO 48 Cb 0.50 -0.06 0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.10 2.30 0.11 0.52 -4.23 -1.06 -4.68 115.64 107.50 1x3b s THR 49 Ca 0.03 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1x3b s THR 49 Cb -0.00 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1x3b s THR 49 CO 0.02 0.00 1.54 0.78 -0.54 0.00 0.00 174.62 176.42 1x3b h ASN 50 N 0.06 0.63 0.34 3.99 2.35 -1.95 -2.01 115.58 118.99 1x3b h ASN 50 Ca -0.34 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1x3b h ASN 50 Cb 1.28 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1x3b h ASN 50 CO 0.42 0.80 0.00 -0.33 -1.65 0.00 0.00 177.43 176.67 1x3b h GLU 51 N 0.44 0.00 0.53 0.81 5.08 -1.95 -2.09 114.58 117.40 1x3b h GLU 51 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1x3b h GLU 51 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1x3b h GLU 51 CO 0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.78 1x3b h ALA 52 N 2.04 -0.83 -0.40 3.43 0.00 -1.68 -2.28 119.26 119.54 1x3b h ALA 52 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1x3b h ALA 52 Cb 0.17 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x3b h ALA 52 CO 0.00 -0.78 0.27 0.74 0.00 0.00 0.00 179.25 179.48 1x3b h PHE 53 N -1.01 0.44 0.00 0.00 -1.00 -1.45 0.29 116.94 114.22 1x3b h PHE 53 Ca -0.07 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 1x3b h PHE 53 Cb 0.55 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1x3b h PHE 53 CO 0.03 0.27 -0.11 0.00 -1.61 0.00 0.00 178.31 176.88 1x3b h ARG 54 N 0.47 0.00 -0.17 1.51 3.08 -1.36 -2.11 114.38 115.79 1x3b h ARG 54 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1x3b h ARG 54 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x3b h ARG 54 CO -0.04 0.11 -0.34 0.00 -1.07 0.00 0.00 179.97 178.64 1x3b h ALA 55 N 1.89 0.28 -1.67 0.04 0.00 -0.33 -3.45 119.26 116.02 1x3b h ALA 55 Ca -0.00 -0.43 -0.63 0.00 0.00 0.00 0.00 54.91 53.86 1x3b h ALA 55 Cb 0.26 -0.05 0.13 0.00 0.00 0.00 0.00 17.79 18.14 1x3b h ALA 55 CO 0.01 0.33 -0.47 1.28 0.00 0.00 0.00 179.25 180.40 1x3b n LEU 56 N -4.32 -0.67 -4.81 0.00 4.77 -0.79 -4.92 117.00 106.25 1x3b n LEU 56 Ca -0.06 0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 56.61 1x3b n LEU 56 Cb 0.50 -1.05 0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1x3b n LEU 56 CO 0.44 -2.96 0.71 -2.16 -1.33 0.00 0.00 177.39 172.09 1x3b s PRO 57 N -1.30 2.37 0.00 3.23 0.04 -1.26 -4.85 135.00 133.23 1x3b s PRO 57 Ca 0.62 0.74 0.23 0.00 0.04 0.00 0.00 61.00 62.63 1x3b s PRO 57 Cb -0.71 -1.94 1.39 0.00 0.04 0.00 0.00 34.50 33.27 1x3b s PRO 57 CO 0.59 -1.44 1.77 -0.35 0.04 0.00 0.00 177.00 177.60 1x3b n PRO 58 N -3.33 0.75 -0.09 0.56 -0.04 -1.26 -0.80 135.00 130.79 1x3b n PRO 58 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 1x3b n PRO 58 Cb 0.55 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.98 0.68 0.03 0.54 1.74 -1.26 -4.26 116.66 113.13 1x3b n ARG 59 Ca 0.17 0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.46 1x3b n ARG 59 Cb 0.08 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1x3b n GLU 60 N -2.97 0.43 0.00 5.56 2.13 -1.07 -3.98 120.64 120.74 1x3b n GLU 60 Ca -0.34 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.44 1x3b n GLU 60 Cb 1.09 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1x3b n GLU 60 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1x3b n ARG 61 N -2.13 0.00 0.26 5.31 0.63 0.02 -2.66 116.66 118.10 1x3b n ARG 61 Ca -0.00 0.29 0.16 0.00 -0.92 0.00 0.00 57.85 57.38 1x3b n ARG 61 Cb 0.49 -1.18 0.74 0.00 0.45 0.00 0.00 32.46 32.95 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 -1.80 0.05 113.55 119.39 1x3b h SER 62 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1x3b h SER 62 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x3b h SER 62 CO 0.00 0.00 -0.35 0.03 -0.53 0.00 0.00 176.83 175.98 1x3b h ARG 63 N 0.00 -0.82 -0.06 2.24 2.47 -1.66 1.47 114.38 118.01 1x3b h ARG 63 Ca 0.06 0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1x3b h ARG 63 Cb 0.91 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1x3b h ARG 63 CO -0.00 -0.55 -0.11 -0.07 0.56 0.00 0.00 179.97 179.80 1x3b h LEU 64 N -0.85 0.21 -1.86 3.04 3.38 -1.06 0.29 115.31 118.46 1x3b h LEU 64 Ca -0.08 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1x3b h LEU 64 Cb 0.68 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1x3b h LEU 64 CO 0.08 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 1x3b h LEU 65 N -0.30 0.00 0.00 1.67 3.38 -1.06 -3.33 115.31 115.67 1x3b h LEU 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x3b h LEU 65 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1x3b h LEU 65 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1x3b n GLY 66 N -1.09 -0.20 3.71 0.83 0.00 0.50 -4.95 105.19 103.99 1x3b n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 6.53 -0.05 1.61 1.01 0.10 -4.91 116.67 119.97 1x3b s ASP 67 Ca 0.00 2.67 -0.24 0.00 0.71 0.00 0.00 52.55 55.69 1x3b s ASP 67 Cb 0.00 -2.59 -0.24 0.00 1.01 0.00 0.00 42.92 41.10 1x3b s ASP 67 CO 0.00 -0.87 1.03 0.00 0.21 0.00 0.00 175.17 175.54 1x3b h ALA 68 N 7.02 0.04 -0.74 5.23 0.00 -1.84 -2.33 119.26 126.63 1x3b h ALA 68 Ca -0.43 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.11 1x3b h ALA 68 Cb 1.20 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1x3b h ALA 68 CO 0.93 0.11 -0.41 0.87 0.00 0.00 0.00 179.25 180.75 1x3b h LYS 69 N -0.46 -0.12 -0.35 0.00 1.79 -1.93 0.51 116.57 116.00 1x3b h LYS 69 Ca -0.04 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1x3b h LYS 69 Cb 1.04 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1x3b h LYS 69 CO 0.06 -0.08 0.18 0.93 -1.08 0.00 0.00 179.45 179.46 1x3b h GLU 70 N -0.12 0.50 -0.01 3.15 4.39 -1.90 0.29 114.58 120.88 1x3b h GLU 70 Ca 0.24 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1x3b h GLU 70 Cb 0.56 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1x3b h GLU 70 CO -0.80 0.43 -0.25 1.25 -1.16 0.00 0.00 179.01 178.49 1x3b h LEU 71 N 0.44 -0.77 -0.48 1.33 6.46 0.03 -0.89 115.31 121.42 1x3b h LEU 71 Ca 0.12 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 58.07 1x3b h LEU 71 Cb 0.09 0.29 -0.09 0.00 -0.73 0.00 0.00 40.66 40.23 1x3b h LEU 71 CO -0.02 -0.24 -0.07 0.00 -0.62 0.00 0.00 178.44 177.49 1x3b h ALA 72 N -0.98 0.38 -1.00 1.25 0.00 -0.14 0.11 119.26 118.88 1x3b h ALA 72 Ca 0.01 0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.37 1x3b h ALA 72 Cb 0.33 0.32 -0.19 0.00 0.00 0.00 0.00 17.79 18.25 1x3b h ALA 72 CO -0.17 -0.42 0.04 -0.97 0.00 0.00 0.00 179.25 177.72 1x3b h ASN 73 N 0.04 -0.47 0.44 0.00 -0.73 -0.06 1.48 115.58 116.28 1x3b h ASN 73 Ca 0.24 0.28 -0.02 0.00 1.87 0.00 0.00 56.30 58.67 1x3b h ASN 73 Cb 0.36 0.49 0.00 0.00 0.27 0.00 0.00 38.32 39.45 1x3b h ASN 73 CO -0.46 -0.37 -0.21 0.40 -0.37 0.00 0.00 177.43 176.42 1x3b h ILE 74 N 0.00 0.21 -0.82 2.57 1.08 0.50 -2.59 117.51 118.47 1x3b h ILE 74 Ca 0.61 -0.59 0.19 0.00 -0.39 0.00 0.00 64.86 64.68 1x3b h ILE 74 Cb 1.28 0.33 -0.15 0.00 -3.07 0.00 0.00 36.82 35.21 1x3b h ILE 74 CO -0.93 0.05 -0.05 -0.07 -0.69 0.00 0.00 178.15 176.46 1x3b h LEU 75 N -1.08 -0.48 -0.20 1.44 3.38 0.87 0.48 115.31 119.71 1x3b h LEU 75 Ca -0.06 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1x3b h LEU 75 Cb 0.53 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 1x3b h LEU 75 CO 0.10 -0.24 -0.23 0.11 0.09 0.00 0.00 178.44 178.27 1x3b h LYS 76 N 0.06 -0.25 0.00 1.13 1.57 0.19 0.70 116.57 119.97 1x3b h LYS 76 Ca 0.45 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1x3b h LYS 76 Cb 0.79 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1x3b h LYS 76 CO -0.76 -0.17 0.00 0.98 -0.57 0.00 0.00 179.45 178.93 1x3b n TYR 77 N -5.37 0.23 0.03 -1.35 9.36 0.14 -0.73 117.16 119.47 1x3b n TYR 77 Ca -0.02 0.11 0.05 0.00 3.32 0.00 0.00 57.90 61.36 1x3b n TYR 77 Cb 0.28 -0.67 -0.09 0.00 -0.63 0.00 0.00 39.34 38.23 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 -1.73 0.62 -3.98 2.98 8.25 0.21 -4.89 115.22 116.68 1x3b n HIS 78 Ca 0.01 0.19 -0.34 0.00 -0.26 0.00 0.00 57.72 57.33 1x3b n HIS 78 Cb 0.09 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 30.25 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 -3.16 5.19 0.35 1.59 1.01 0.87 -2.86 121.20 124.19 1x3b s ILE 79 Ca -0.04 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.50 1x3b s ILE 79 Cb 0.10 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1x3b s ILE 79 CO 0.83 0.39 0.11 -0.83 0.00 0.00 0.00 174.94 175.44 1x3b s GLY 80 N -1.71 2.06 -0.59 6.18 0.00 0.19 -3.62 107.32 109.83 1x3b s GLY 80 Ca 0.24 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1x3b s GLY 80 CO 0.15 -1.83 1.99 1.34 0.00 0.00 0.00 173.10 174.74 1x3b n ASP 81 N -1.11 6.34 0.00 1.64 2.03 0.27 -3.17 116.55 122.55 1x3b n ASP 81 Ca -0.03 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.55 1x3b n ASP 81 Cb 0.62 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.00 0.00 -3.26 -0.67 0.28 -1.25 -4.94 120.64 109.80 1x3b n GLU 82 Ca 0.62 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.23 1x3b n GLU 82 Cb 1.01 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.82 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 5.07 -0.10 3.84 -1.09 -1.26 -3.35 121.20 122.31 1x3b s ILE 83 Ca 0.00 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.51 1x3b s ILE 83 Cb 0.00 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1x3b s ILE 83 CO 0.00 0.37 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.83 1x3b s LEU 84 N 0.24 0.88 0.04 2.97 0.20 -1.26 -5.06 118.68 116.69 1x3b s LEU 84 Ca 0.29 -0.22 0.06 0.00 0.69 0.00 0.00 54.13 54.94 1x3b s LEU 84 Cb -0.17 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 1x3b s LEU 84 CO 0.14 -0.17 -0.17 0.68 -0.29 0.00 0.00 176.35 176.54 1x3b s VAL 85 N 1.85 1.33 -1.04 1.68 -7.23 -1.26 -4.93 120.40 110.81 1x3b s VAL 85 Ca 0.05 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.00 1x3b s VAL 85 Cb -0.13 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 1x3b s VAL 85 CO -0.07 0.10 2.14 -1.54 -0.31 0.00 0.00 175.10 175.42 1x3b n SER 86 N 1.91 4.04 -2.62 4.85 3.41 -1.26 -4.39 113.62 119.56 1x3b n SER 86 Ca -0.18 -2.61 -0.12 0.00 -0.26 0.00 0.00 58.87 55.70 1x3b n SER 86 Cb 0.54 -1.27 0.03 0.00 -0.26 0.00 0.00 64.21 63.25 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 4.15 2.56 0.00 5.00 0.00 -1.26 -4.90 105.19 110.74 1x3b n GLY 87 Ca 0.52 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.22 0.95 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.55 1x3b n GLY 88 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.02 -0.61 2.08 -1.26 -4.71 119.36 114.83 1x3b n ILE 89 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 1x3b n ILE 89 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.85 1x3b n ILE 89 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1x3b h GLY 90 N 0.16 0.17 0.00 7.39 0.00 -1.98 -3.43 103.07 105.38 1x3b h GLY 90 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1x3b h GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1x3b n ALA 91 N -2.23 0.03 -2.50 3.60 0.00 -1.26 -5.00 120.51 113.16 1x3b n ALA 91 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1x3b n ALA 91 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 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 -6.34 2.38 0.03 0.00 1.98 -1.26 -4.07 118.68 111.40 1x3b s LEU 92 Ca 0.00 -0.77 -0.15 0.00 -2.89 0.00 0.00 54.13 50.32 1x3b s LEU 92 Cb 0.00 0.14 0.02 0.00 0.66 0.00 0.00 46.19 47.02 1x3b s LEU 92 CO 0.00 -0.46 0.33 -0.69 -1.89 0.00 0.00 176.35 173.64 1x3b s VAL 93 N -2.79 0.07 -0.26 1.68 1.01 -1.16 -5.01 120.40 113.94 1x3b s VAL 93 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1x3b s VAL 93 Cb -0.00 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.57 1x3b s VAL 93 CO -0.06 -0.32 -0.11 -0.13 0.00 0.00 0.00 175.10 174.48 1x3b s ARG 94 N -2.21 2.23 -0.30 2.72 0.52 -1.26 -2.95 118.95 117.69 1x3b s ARG 94 Ca -0.07 -1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 53.63 1x3b s ARG 94 Cb -0.02 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1x3b s ARG 94 CO -0.01 -0.57 0.52 -1.17 0.02 0.00 0.00 175.30 174.09 1x3b s LEU 95 N 1.11 4.18 -0.07 2.53 0.20 0.51 -4.92 118.68 122.22 1x3b s LEU 95 Ca -0.09 0.26 -0.30 0.00 0.69 0.00 0.00 54.13 54.69 1x3b s LEU 95 Cb -0.20 -2.63 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1x3b s LEU 95 CO -0.05 -0.38 1.33 -0.75 -0.29 0.00 0.00 176.35 176.20 1x3b s LYS 96 N 2.37 4.28 0.68 1.98 2.20 -1.26 0.39 119.74 130.37 1x3b s LYS 96 Ca 0.20 1.81 0.02 0.00 -0.36 0.00 0.00 55.97 57.64 1x3b s LYS 96 Cb -0.15 -3.67 0.11 0.00 -1.51 0.00 0.00 37.83 32.61 1x3b s LYS 96 CO 0.11 -0.61 0.93 0.45 -0.36 0.00 0.00 175.35 175.88 1x3b s SER 97 N 1.95 4.57 -0.10 1.43 0.15 -1.21 -0.56 113.70 119.92 1x3b s SER 97 Ca 0.60 -0.48 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 1x3b s SER 97 Cb -0.27 0.03 -0.27 0.00 -1.71 0.00 0.00 66.02 63.80 1x3b s SER 97 CO 0.22 -1.70 0.62 -0.07 1.20 0.00 0.00 173.24 173.51 1x3b h LEU 98 N -0.32 0.34 -2.00 3.45 3.38 -1.69 -3.30 115.31 115.17 1x3b h LEU 98 Ca -0.35 -0.86 0.26 0.00 0.09 0.00 0.00 57.88 57.02 1x3b h LEU 98 Cb 1.27 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1x3b h LEU 98 CO 0.41 1.51 0.64 -0.61 0.09 0.00 0.00 178.44 180.47 1x3b h GLN 99 N -0.44 0.00 0.00 1.13 5.75 -1.86 -3.45 115.11 116.24 1x3b h GLN 99 Ca -0.25 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1x3b h GLN 99 Cb 1.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.18 1x3b h GLN 99 CO 0.05 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.64 1x3b n GLY 100 N -1.71 3.67 3.73 2.39 0.00 -1.24 -5.03 105.19 107.00 1x3b n GLY 100 Ca 0.18 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 6.77 0.05 1.61 1.01 -1.26 -4.57 116.67 120.28 1x3b s ASP 101 Ca 0.00 2.50 -0.24 0.00 0.71 0.00 0.00 52.55 55.52 1x3b s ASP 101 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1x3b s ASP 101 CO 0.00 -0.64 0.73 -0.54 0.21 0.00 0.00 175.17 174.93 1x3b s LYS 102 N 0.14 4.46 0.18 8.23 3.01 -1.26 -3.35 119.74 131.16 1x3b s LYS 102 Ca 0.60 1.01 -0.13 0.00 -1.01 0.00 0.00 55.97 56.44 1x3b s LYS 102 Cb -0.39 -3.35 -0.07 0.00 -1.01 0.00 0.00 37.83 33.01 1x3b s LYS 102 CO 0.38 0.34 0.56 -0.51 0.51 0.00 0.00 175.35 176.63 1x3b s LEU 103 N -0.22 4.27 -0.18 3.17 1.43 0.16 -4.86 118.68 122.44 1x3b s LEU 103 Ca 0.37 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.43 1x3b s LEU 103 Cb -0.20 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1x3b s LEU 103 CO 0.22 0.03 0.07 -0.70 0.23 0.00 0.00 176.35 176.21 1x3b s GLU 104 N -2.28 4.01 -0.07 1.70 2.12 -1.26 -0.36 118.70 122.56 1x3b s GLU 104 Ca 0.42 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 55.39 1x3b s GLU 104 Cb -0.14 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.05 1x3b s GLU 104 CO 0.20 0.28 0.14 0.08 -0.54 0.00 0.00 175.26 175.41 1x3b s VAL 105 N 0.36 -0.17 0.35 3.70 1.01 -1.15 -2.09 120.40 122.41 1x3b s VAL 105 Ca 0.04 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1x3b s VAL 105 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1x3b s VAL 105 CO -0.00 0.13 0.17 -0.94 0.00 0.00 0.00 175.10 174.45 1x3b s SER 106 N 1.87 2.09 -0.23 3.32 1.04 -1.24 -2.96 113.70 117.58 1x3b s SER 106 Ca -0.01 -1.64 -0.01 0.00 0.48 0.00 0.00 55.95 54.76 1x3b s SER 106 Cb -0.12 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1x3b s SER 106 CO -0.05 -0.94 0.02 -0.22 0.98 0.00 0.00 173.24 173.04 1x3b s LEU 107 N -3.47 1.82 0.01 2.42 2.96 -1.26 -3.76 118.68 117.41 1x3b s LEU 107 Ca 0.32 -1.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 1x3b s LEU 107 Cb 0.04 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 1x3b s LEU 107 CO 0.18 -0.31 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.31 1x3b s LYS 108 N 1.67 0.40 -1.62 1.98 1.02 -0.86 -4.75 119.74 117.59 1x3b s LYS 108 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1x3b s LYS 108 Cb -0.18 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 1x3b s LYS 108 CO -0.11 0.06 0.00 -1.71 -0.92 0.00 0.00 175.35 172.67 1x3b n ASN 109 N 2.33 -4.37 -0.34 2.83 5.15 -1.26 0.16 115.26 119.75 1x3b n ASN 109 Ca -0.17 0.38 -0.04 0.00 -0.60 0.00 0.00 54.58 54.14 1x3b n ASN 109 Cb 0.57 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.94 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 -0.82 -3.92 -4.75 1.20 5.15 -1.26 -5.00 115.26 105.86 1x3b n ASN 110 Ca -0.15 0.11 -0.23 0.00 -0.60 0.00 0.00 54.58 53.71 1x3b n ASN 110 Cb 0.53 -1.81 -0.06 0.00 -0.53 0.00 0.00 39.78 37.91 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 -2.04 4.07 0.04 3.44 1.01 0.42 -5.13 120.40 122.21 1x3b s VAL 111 Ca 0.00 -1.52 0.09 0.00 0.00 0.00 0.00 61.98 60.55 1x3b s VAL 111 Cb 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1x3b s VAL 111 CO 0.00 -0.30 -0.26 -0.69 0.00 0.00 0.00 175.10 173.84 1x3b s VAL 112 N -2.10 2.12 0.02 2.92 1.01 -1.26 -2.02 120.40 121.08 1x3b s VAL 112 Ca 0.32 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 1x3b s VAL 112 Cb -0.08 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1x3b s VAL 112 CO 0.23 0.36 0.02 -0.44 0.00 0.00 0.00 175.10 175.27 1x3b s SER 113 N -1.23 0.21 -0.25 3.32 0.01 -1.25 -3.08 113.70 111.44 1x3b s SER 113 Ca 0.12 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 1x3b s SER 113 Cb -0.10 0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.36 1x3b s SER 113 CO 0.02 -0.36 0.11 0.54 0.41 0.00 0.00 173.24 173.96 1x3b s VAL 114 N -1.73 0.06 -0.30 3.43 0.11 -0.36 -3.71 120.40 117.91 1x3b s VAL 114 Ca -0.13 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1x3b s VAL 114 Cb -0.07 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1x3b s VAL 114 CO -0.01 -0.56 0.07 0.59 -3.33 0.00 0.00 175.10 171.85 1x3b n ASN 115 N 5.21 -2.19 -1.31 3.54 3.02 -0.89 -2.94 115.26 119.69 1x3b n ASN 115 Ca -0.06 -0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.34 1x3b n ASN 115 Cb 0.44 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.29 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 -1.35 -0.92 -4.93 3.52 5.02 -1.26 -5.01 118.16 113.22 1x3b n LYS 116 Ca -0.03 0.56 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 1x3b n LYS 116 Cb 0.53 -4.70 -0.15 0.00 -0.02 0.00 0.00 35.03 30.69 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 -4.56 1.69 0.18 1.97 2.02 -1.15 -5.12 118.70 113.73 1x3b s GLU 117 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.79 1x3b s GLU 117 Cb 0.00 -1.73 -0.08 0.00 0.10 0.00 0.00 34.13 32.43 1x3b s GLU 117 CO 0.00 0.46 1.12 -1.25 0.02 0.00 0.00 175.26 175.61 1x3b s PRO 118 N -0.86 4.57 0.18 0.39 0.04 -1.26 -1.22 135.00 136.84 1x3b s PRO 118 Ca 0.09 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1x3b s PRO 118 Cb -0.09 -3.27 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1x3b s PRO 118 CO 0.00 0.04 0.55 0.08 0.04 0.00 0.00 177.00 177.71 1x3b s VAL 119 N -0.19 4.89 -0.04 -0.36 1.01 -1.18 -2.83 120.40 121.70 1x3b s VAL 119 Ca 0.50 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1x3b s VAL 119 Cb -0.30 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1x3b s VAL 119 CO 0.35 0.13 0.25 0.00 0.00 0.00 0.00 175.10 175.82 1x3b h ALA 120 N 3.18 -0.23 -1.75 5.51 0.00 0.28 -3.45 119.26 122.81 1x3b h ALA 120 Ca -0.48 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1x3b h ALA 120 Cb 1.18 0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.75 1x3b h ALA 120 CO 0.67 -0.22 -0.66 -1.21 0.00 0.00 0.00 179.25 177.84 1x3b s GLU 121 N -1.94 0.74 1.00 0.00 2.02 -1.01 -4.99 118.70 114.52 1x3b s GLU 121 Ca -0.02 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 53.91 1x3b s GLU 121 Cb 0.00 -0.59 0.20 0.00 0.10 0.00 0.00 34.13 33.83 1x3b s GLU 121 CO 0.06 -1.23 1.18 -1.25 0.02 0.00 0.00 175.26 174.05 1x3b s PRO 122 N 1.31 0.37 -0.17 0.39 0.04 -1.26 -3.18 135.00 132.50 1x3b s PRO 122 Ca 0.19 -0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.22 1x3b s PRO 122 Cb -0.11 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x3b s PRO 122 CO -0.05 -2.66 0.15 -3.47 0.04 0.00 0.00 177.00 171.01 1x3b n ASP 123 N -4.03 -2.80 -4.04 6.66 -0.08 -1.23 -4.94 116.55 106.10 1x3b n ASP 123 Ca 0.11 -0.11 -0.33 0.00 -1.51 0.00 0.00 54.79 52.94 1x3b n ASP 123 Cb 0.59 -1.32 -0.12 0.00 2.34 0.00 0.00 41.12 42.61 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1x3b s ILE 124 N -3.06 3.07 0.27 5.18 1.01 -0.40 -4.97 121.20 122.30 1x3b s ILE 124 Ca 0.07 -2.90 -0.29 0.00 0.00 0.00 0.00 60.65 57.53 1x3b s ILE 124 Cb -0.01 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 1x3b s ILE 124 CO 0.12 -0.79 1.30 -0.04 0.00 0.00 0.00 174.94 175.54 1x3b s MET 125 N 0.13 4.38 0.00 2.79 -1.94 -1.26 0.00 119.30 123.40 1x3b s MET 125 Ca 0.15 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 1x3b s MET 125 Cb -0.22 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1x3b s MET 125 CO -0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 175.02 174.79 1x3b n ALA 126 N 1.60 0.00 0.15 3.03 0.00 0.16 -4.91 120.51 120.54 1x3b n ALA 126 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1x3b n ALA 126 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 0.57 0.55 0.00 0.00 1.35 -1.88 -3.39 112.91 110.11 1x3b h THR 127 Ca 0.00 -1.79 -0.18 0.00 -0.55 0.00 0.00 66.41 63.88 1x3b h THR 127 Cb 0.00 2.23 -0.15 0.00 -1.73 0.00 0.00 68.15 68.50 1x3b h THR 127 CO 0.00 0.31 -0.29 -0.46 -0.25 0.00 0.00 175.52 174.83 1x3b n ASN 128 N -3.13 -1.59 0.00 5.36 6.94 -1.26 -4.99 115.26 116.58 1x3b n ASN 128 Ca 0.02 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 1x3b n ASN 128 Cb 0.68 0.80 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 -1.18 -1.18 3.26 4.83 0.00 -1.26 -3.86 105.19 105.80 1x3b n GLY 129 Ca -0.12 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 0.26 -0.00 1.61 0.11 -1.24 0.36 120.40 118.49 1x3b s VAL 130 Ca 0.00 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 56.94 1x3b s VAL 130 Cb 0.00 -2.56 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 1x3b s VAL 130 CO 0.00 0.00 0.23 -0.69 -3.33 0.00 0.00 175.10 171.31 1x3b s VAL 131 N -3.94 0.07 -0.31 2.04 1.01 0.10 -3.59 120.40 115.78 1x3b s VAL 131 Ca 0.38 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1x3b s VAL 131 Cb 0.07 -0.54 0.11 0.00 0.00 0.00 0.00 36.38 36.02 1x3b s VAL 131 CO 0.13 -0.32 0.15 -1.00 0.00 0.00 0.00 175.10 174.06 1x3b s HIS 132 N -1.41 0.63 0.24 5.22 3.76 -0.90 -1.27 115.29 121.56 1x3b s HIS 132 Ca -0.14 -1.22 -0.31 0.00 -0.15 0.00 0.00 55.06 53.24 1x3b s HIS 132 Cb -0.06 -1.03 -0.13 0.00 1.11 0.00 0.00 32.58 32.47 1x3b s HIS 132 CO 0.03 -0.83 1.45 0.28 -0.85 0.00 0.00 174.74 174.81 1x3b n VAL 133 N 4.84 0.89 -3.93 -0.90 0.31 -1.19 -3.71 118.33 114.64 1x3b n VAL 133 Ca -0.00 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 63.87 1x3b n VAL 133 Cb 0.40 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.02 2.32 -0.23 2.52 -4.36 0.07 0.24 121.20 121.78 1x3b s ILE 134 Ca 0.68 -1.57 0.10 0.00 -0.26 0.00 0.00 60.65 59.61 1x3b s ILE 134 Cb -0.63 -2.88 0.43 0.00 1.25 0.00 0.00 42.46 40.63 1x3b s ILE 134 CO 0.49 0.00 1.21 0.35 0.24 0.00 0.00 174.94 177.23 1x3b n THR 135 N -1.40 2.28 0.00 8.37 -2.24 -1.13 -2.56 114.28 117.60 1x3b n THR 135 Ca -0.00 -3.49 0.00 0.00 -2.27 0.00 0.00 64.05 58.29 1x3b n THR 135 Cb 0.64 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.01 0.00 -4.64 3.42 3.02 -1.26 -4.81 115.26 109.97 1x3b n ASN 136 Ca 0.25 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.38 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 -1.45 3.88 0.68 2.41 1.01 -1.26 -4.76 120.40 120.91 1x3b s VAL 137 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1x3b s VAL 137 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1x3b s VAL 137 CO 0.00 -0.26 1.12 -0.76 0.00 0.00 0.00 175.10 175.21 1x3b s LEU 138 N 4.51 3.35 0.05 3.92 1.43 -1.26 -5.06 118.68 125.62 1x3b s LEU 138 Ca 0.66 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 1x3b s LEU 138 Cb -0.24 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.40 1x3b s LEU 138 CO 0.25 -1.77 -0.08 -1.10 0.23 0.00 0.00 176.35 173.89 1x3b s GLN 139 N -4.11 0.58 0.57 1.70 -0.21 -1.26 -5.06 119.66 111.87 1x3b s GLN 139 Ca 0.68 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 55.05 1x3b s GLN 139 Cb -0.22 -0.28 -0.05 0.00 1.00 0.00 0.00 33.01 33.47 1x3b s GLN 139 CO 0.43 0.04 1.05 -1.25 -2.12 0.00 0.00 175.29 173.44 1x3b s PRO 140 N -1.93 3.44 -0.80 2.91 0.04 -1.26 -4.92 135.00 132.49 1x3b s PRO 140 Ca -0.07 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 1x3b s PRO 140 Cb -0.08 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1x3b s PRO 140 CO -0.00 -0.71 1.99 -1.12 0.04 0.00 0.00 177.00 177.19 1x3b s SER 141 N -2.76 5.03 0.32 6.66 0.01 -1.26 -4.89 113.70 116.81 1x3b s SER 141 Ca 0.63 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1x3b s SER 141 Cb -0.15 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1x3b s SER 141 CO 0.35 -2.76 0.08 0.61 0.41 0.00 0.00 173.24 171.93 1x3b n GLY 142 N 6.51 3.53 0.09 3.44 0.00 -1.26 -5.08 105.19 112.42 1x3b n GLY 142 Ca 0.35 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1x3b n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b h PRO 143 N 0.00 0.14 -3.04 1.61 0.13 -2.06 -3.50 132.00 125.29 1x3b h PRO 143 Ca -0.25 -0.14 0.30 0.00 -0.87 0.00 0.00 66.00 65.04 1x3b h PRO 143 Cb 0.91 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 31.91 1x3b h PRO 143 CO 0.41 0.86 -1.10 0.45 -0.23 0.00 0.00 178.00 178.38 1x3b n SER 144 N -4.57 -6.81 -3.70 1.44 2.88 -1.26 -5.03 113.62 96.58 1x3b n SER 144 Ca -0.09 1.26 -0.14 0.00 -1.33 0.00 0.00 58.87 58.56 1x3b n SER 144 Cb 0.46 -4.30 -0.08 0.00 -0.75 0.00 0.00 64.21 59.53 1x3b n SER 144 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3b s SER 145 N -6.83 -0.36 0.00 -3.46 0.01 -1.26 -5.31 113.70 96.48 1x3b s SER 145 Ca 0.00 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1x3b s SER 145 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1x3b s SER 145 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84