#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 1.24 -0.03 1.61 0.15 -1.26 -5.16 113.70 110.25 1x3b s SER 2 Ca 0.00 -0.81 -0.31 0.00 0.70 0.00 0.00 55.95 55.53 1x3b s SER 2 Cb 0.00 0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.47 1x3b s SER 2 CO 0.00 -0.31 1.27 -0.44 1.20 0.00 0.00 173.24 174.97 1x3b s SER 3 N -2.42 -0.07 0.00 5.45 0.01 -1.26 -5.19 113.70 110.22 1x3b s SER 3 Ca 0.04 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1x3b s SER 3 Cb -0.02 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1x3b s SER 3 CO -0.01 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1x3b n GLY 4 N -0.45 3.27 2.39 3.44 0.00 -1.26 -5.05 105.19 107.53 1x3b n GLY 4 Ca -0.08 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1x3b n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x3b n SER 5 N 0.00 -0.11 -3.48 1.61 3.41 -1.26 -5.10 113.62 108.68 1x3b n SER 5 Ca 0.00 -3.17 -0.13 0.00 -0.26 0.00 0.00 58.87 55.31 1x3b n SER 5 Cb 0.00 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1x3b n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x3b s SER 6 N -2.11 -0.54 0.28 4.04 1.04 -1.26 -5.15 113.70 110.00 1x3b s SER 6 Ca 0.33 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1x3b s SER 6 Cb 0.34 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1x3b s SER 6 CO -0.06 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1x3b n GLY 7 N 0.19 -1.54 0.00 7.32 0.00 -1.26 -5.01 105.19 104.89 1x3b n GLY 7 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1x3b n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x3b n MET 8 N -3.37 2.47 0.00 1.61 0.00 -1.26 -5.17 117.12 111.40 1x3b n MET 8 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.69 1x3b n MET 8 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.85 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 3.09 2.48 3.74 -5.12 0.00 -1.26 -4.98 105.19 103.13 1x3b n GLY 9 Ca 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1x3b n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x3b s THR 10 N 0.00 2.62 0.20 2.61 -4.23 -1.26 -3.79 115.64 111.79 1x3b s THR 10 Ca 0.00 0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 1x3b s THR 10 Cb 0.00 -2.80 0.20 0.00 1.34 0.00 0.00 72.50 71.24 1x3b s THR 10 CO 0.00 -0.18 1.40 0.55 -0.54 0.00 0.00 174.62 175.85 1x3b n VAL 11 N -2.74 -0.48 0.01 2.29 3.14 -1.26 0.22 118.33 119.50 1x3b n VAL 11 Ca 0.12 2.12 -0.12 0.00 -2.96 0.00 0.00 64.34 63.50 1x3b n VAL 11 Cb 0.51 -2.78 -0.07 0.00 -1.06 0.00 0.00 33.84 30.43 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 0.05 -0.62 1.45 2.86 -1.90 -2.81 114.93 113.97 1x3b h MET 12 Ca 0.30 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.01 1x3b h MET 12 Cb 0.53 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1x3b h MET 12 CO -0.89 0.16 0.28 -0.44 1.06 0.00 0.00 176.91 177.08 1x3b h ASP 13 N -0.07 0.36 -1.08 1.22 5.19 -0.22 0.28 116.42 122.11 1x3b h ASP 13 Ca 0.01 0.06 0.31 0.00 -0.62 0.00 0.00 57.03 56.79 1x3b h ASP 13 Cb 0.13 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 1x3b h ASP 13 CO -0.00 0.22 0.91 0.58 -3.12 0.00 0.00 179.24 177.83 1x3b h VAL 14 N 0.51 0.26 0.10 -1.35 2.07 0.29 1.75 116.25 119.88 1x3b h VAL 14 Ca 0.30 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.49 1x3b h VAL 14 Cb 0.30 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1x3b h VAL 14 CO -0.25 0.00 -1.75 -0.07 0.02 0.00 0.00 177.57 175.52 1x3b h LEU 15 N 0.00 0.32 -0.74 2.57 3.38 -0.44 -3.09 115.31 117.31 1x3b h LEU 15 Ca 0.51 -0.58 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1x3b h LEU 15 Cb 2.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.95 1x3b h LEU 15 CO -0.01 1.50 -0.21 0.11 0.09 0.00 0.00 178.44 179.93 1x3b h LYS 16 N 0.06 0.74 0.70 1.13 1.57 0.32 -3.24 116.57 117.84 1x3b h LYS 16 Ca -0.32 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.13 1x3b h LYS 16 Cb 2.03 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 34.30 1x3b h LYS 16 CO 0.12 0.89 -0.33 0.78 -0.57 0.00 0.00 179.45 180.33 1x3b h GLY 17 N 0.97 -0.98 -4.84 3.86 0.00 0.13 -3.42 103.07 98.79 1x3b h GLY 17 Ca 0.09 0.36 -0.54 0.00 0.00 0.00 0.00 47.33 47.25 1x3b h GLY 17 CO 0.05 -0.36 0.89 0.99 0.00 0.00 0.00 176.54 178.12 1x3b s ASP 18 N -4.48 6.73 0.25 0.19 1.01 -1.17 -4.89 116.67 114.31 1x3b s ASP 18 Ca -0.15 2.32 0.04 0.00 0.71 0.00 0.00 52.55 55.48 1x3b s ASP 18 Cb 0.02 -2.57 0.28 0.00 1.01 0.00 0.00 42.92 41.66 1x3b s ASP 18 CO 0.45 -0.79 1.59 0.78 0.21 0.00 0.00 175.17 177.41 1x3b h ASN 19 N 7.85 0.30 -1.13 0.27 2.35 -1.82 -2.99 115.58 120.41 1x3b h ASN 19 Ca -0.41 -0.16 0.34 0.00 -0.55 0.00 0.00 56.30 55.53 1x3b h ASN 19 Cb 1.19 -0.08 -0.12 0.00 0.05 0.00 0.00 38.32 39.35 1x3b h ASN 19 CO 0.91 0.79 0.70 0.03 -1.65 0.00 0.00 177.43 178.21 1x3b h ARG 20 N 0.20 0.25 -1.63 0.81 3.08 -1.90 0.32 114.38 115.52 1x3b h ARG 20 Ca 0.00 -0.02 -0.65 0.00 0.07 0.00 0.00 59.98 59.39 1x3b h ARG 20 Cb 1.04 -0.06 -0.37 0.00 0.08 0.00 0.00 29.97 30.66 1x3b h ARG 20 CO 0.09 0.17 -0.12 1.19 -1.07 0.00 0.00 179.97 180.22 1x3b n PHE 21 N -4.79 3.25 -0.07 3.04 3.72 -1.13 -4.17 117.46 117.31 1x3b n PHE 21 Ca 0.32 -2.83 -0.11 0.00 -0.05 0.00 0.00 57.45 54.78 1x3b n PHE 21 Cb 1.11 -0.47 -0.10 0.00 -0.94 0.00 0.00 39.48 39.08 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 2.69 0.00 -0.63 4.37 4.64 -0.45 -3.20 113.55 120.97 1x3b h SER 22 Ca 0.40 -0.74 0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1x3b h SER 22 Cb 0.65 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.66 1x3b h SER 22 CO 1.05 0.91 0.20 0.24 -0.87 0.00 0.00 176.83 178.37 1x3b h MET 23 N -1.00 0.35 -0.02 4.77 2.86 -1.85 -1.79 114.93 118.25 1x3b h MET 23 Ca -0.02 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1x3b h MET 23 Cb 0.79 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1x3b h MET 23 CO -0.01 0.23 -0.35 1.25 1.06 0.00 0.00 176.91 179.09 1x3b h LEU 24 N 0.36 -1.06 -0.88 1.22 5.85 -1.91 -2.18 115.31 116.71 1x3b h LEU 24 Ca 0.33 0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.27 1x3b h LEU 24 Cb 0.45 0.43 -0.11 0.00 0.37 0.00 0.00 40.66 41.79 1x3b h LEU 24 CO -0.36 -0.40 -0.58 0.58 -0.34 0.00 0.00 178.44 177.34 1x3b h VAL 25 N -0.49 0.00 -0.98 1.05 2.07 -1.32 1.46 116.25 118.04 1x3b h VAL 25 Ca 0.06 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.99 1x3b h VAL 25 Cb 0.59 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.19 1x3b h VAL 25 CO -0.30 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.83 1x3b n ALA 26 N -3.22 1.01 0.30 1.67 0.00 -0.84 0.15 120.51 119.58 1x3b n ALA 26 Ca 0.01 0.98 -0.16 0.00 0.00 0.00 0.00 53.44 54.27 1x3b n ALA 26 Cb 0.28 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 1x3b n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3b h ALA 27 N 1.92 -0.73 -0.17 0.00 0.00 0.23 0.37 119.26 120.87 1x3b h ALA 27 Ca 0.82 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.60 1x3b h ALA 27 Cb 2.20 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 20.22 1x3b h ALA 27 CO -0.73 -0.88 -0.13 0.82 0.00 0.00 0.00 179.25 178.33 1x3b h ILE 28 N -0.79 0.63 -0.48 0.00 2.04 0.20 1.25 117.51 120.35 1x3b h ILE 28 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1x3b h ILE 28 Cb 0.58 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1x3b h ILE 28 CO 0.12 0.00 0.12 -0.61 0.00 0.00 0.00 178.15 177.78 1x3b h GLN 29 N -0.14 0.25 -0.03 2.37 -0.00 -0.28 1.31 115.11 118.60 1x3b h GLN 29 Ca 0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1x3b h GLN 29 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 1x3b h GLN 29 CO -0.25 0.17 0.00 1.03 0.00 0.00 0.00 178.83 179.78 1x3b h SER 30 N 0.26 0.04 -0.28 -0.69 0.87 0.67 -2.65 113.55 111.78 1x3b h SER 30 Ca 0.24 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x3b h SER 30 Cb 0.30 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1x3b h SER 30 CO -0.29 0.30 0.18 0.00 -0.53 0.00 0.00 176.83 176.49 1x3b h ALA 31 N 0.74 1.81 -1.44 6.23 0.00 0.21 -3.47 119.26 123.35 1x3b h ALA 31 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x3b h ALA 31 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x3b h ALA 31 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1x3b n GLY 32 N -1.50 0.63 0.00 0.00 0.00 0.44 -4.86 105.19 99.91 1x3b n GLY 32 Ca 0.01 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.72 0.31 -0.04 0.99 4.77 -0.69 -4.64 117.00 116.98 1x3b n LEU 33 Ca 0.00 -0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1x3b n LEU 33 Cb 0.44 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1x3b n LEU 33 CO 0.00 0.08 0.50 0.74 -1.33 0.00 0.00 177.39 177.38 1x3b h THR 34 N 0.00 0.00 -0.75 -5.08 2.02 -1.90 -0.27 112.91 106.92 1x3b h THR 34 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1x3b h THR 34 Cb 0.41 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.67 1x3b h THR 34 CO 0.00 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.33 1x3b h GLU 35 N -0.44 -0.03 -0.42 6.66 5.08 -1.93 1.70 114.58 125.20 1x3b h GLU 35 Ca 0.04 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1x3b h GLU 35 Cb 0.55 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1x3b h GLU 35 CO -0.42 -0.02 -0.13 1.15 -1.00 0.00 0.00 179.01 178.59 1x3b h THR 36 N -0.03 0.53 0.00 1.13 2.02 -1.47 0.67 112.91 115.75 1x3b h THR 36 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1x3b h THR 36 Cb 0.57 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1x3b h THR 36 CO -0.79 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.28 1x3b n LEU 37 N -5.34 0.00 -1.24 2.58 4.77 0.80 -2.59 117.00 115.98 1x3b n LEU 37 Ca 0.03 0.47 0.04 0.00 -0.03 0.00 0.00 56.01 56.52 1x3b n LEU 37 Cb 0.25 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.08 1x3b n LEU 37 CO 0.13 -0.06 0.60 -3.20 -1.33 0.00 0.00 177.39 173.53 1x3b n ASN 38 N -1.47 3.53 -4.21 -1.43 2.85 0.55 -4.66 115.26 110.41 1x3b n ASN 38 Ca 0.07 -2.49 -0.24 0.00 -0.11 0.00 0.00 54.58 51.82 1x3b n ASN 38 Cb 0.29 -0.59 -0.14 0.00 1.24 0.00 0.00 39.78 40.58 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 -1.94 1.23 0.67 1.20 0.52 -0.99 -4.96 118.95 114.68 1x3b s ARG 39 Ca 0.30 -0.88 -0.17 0.00 -0.52 0.00 0.00 55.73 54.46 1x3b s ARG 39 Cb 0.22 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 34.37 1x3b s ARG 39 CO 0.09 0.33 1.06 0.39 0.02 0.00 0.00 175.30 177.20 1x3b n GLU 40 N 1.86 0.77 0.00 3.54 1.02 -1.26 -4.75 120.64 121.82 1x3b n GLU 40 Ca -0.17 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1x3b n GLU 40 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3b n GLY 41 N 1.09 0.45 3.36 0.62 0.00 -1.25 -5.08 105.19 104.38 1x3b n GLY 41 Ca 0.14 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.02 -0.24 1.61 -7.23 -1.22 -4.29 120.40 109.01 1x3b s VAL 42 Ca 0.00 0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.18 1x3b s VAL 42 Cb 0.00 -0.69 0.12 0.00 0.56 0.00 0.00 36.38 36.37 1x3b s VAL 42 CO 0.00 0.03 0.47 -0.31 -0.31 0.00 0.00 175.10 174.97 1x3b s TYR 43 N 1.32 -1.00 -0.57 2.82 2.02 -1.26 -4.13 117.35 116.55 1x3b s TYR 43 Ca -0.09 1.49 -0.19 0.00 -0.37 0.00 0.00 57.07 57.92 1x3b s TYR 43 Cb -0.07 0.34 0.08 0.00 -0.40 0.00 0.00 41.96 41.92 1x3b s TYR 43 CO -0.13 -0.63 0.70 0.99 -1.57 0.00 0.00 175.55 174.91 1x3b s THR 44 N 2.67 4.80 0.17 -0.71 2.01 -0.83 -3.46 115.64 120.29 1x3b s THR 44 Ca 0.05 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.34 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 -0.16 -1.04 0.10 -0.69 -0.69 0.00 0.00 174.62 172.14 1x3b s VAL 45 N 2.78 4.27 -0.20 3.82 1.01 -1.23 0.18 120.40 131.03 1x3b s VAL 45 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1x3b s VAL 45 Cb -0.22 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1x3b s VAL 45 CO 0.09 -0.11 -0.06 -0.36 0.00 0.00 0.00 175.10 174.65 1x3b s PHE 46 N -1.75 2.08 -0.29 5.22 0.08 -1.00 -2.09 117.98 120.23 1x3b s PHE 46 Ca 0.30 -1.42 -0.08 0.00 0.12 0.00 0.00 56.93 55.85 1x3b s PHE 46 Cb -0.10 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1x3b s PHE 46 CO 0.22 -0.70 0.11 0.00 -0.10 0.00 0.00 175.22 174.75 1x3b s ALA 47 N 1.50 3.18 1.05 5.36 0.00 -1.23 -4.82 121.76 126.80 1x3b s ALA 47 Ca -0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1x3b s ALA 47 Cb -0.17 -2.22 0.11 0.00 0.00 0.00 0.00 23.12 20.85 1x3b s ALA 47 CO -0.07 -0.76 0.52 -0.35 0.00 0.00 0.00 175.76 175.09 1x3b n PRO 48 N 4.93 -1.23 -2.19 0.00 -0.04 -1.26 -1.09 135.00 134.14 1x3b n PRO 48 Ca -0.15 -0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 62.37 1x3b n PRO 48 Cb 0.50 -0.64 0.05 0.00 -0.04 0.00 0.00 33.50 33.36 1x3b n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x3b n THR 49 N -3.14 0.00 -0.08 0.52 -2.24 -1.04 -4.72 114.28 103.57 1x3b n THR 49 Ca 0.07 -1.19 -0.13 0.00 -2.27 0.00 0.00 64.05 60.52 1x3b n THR 49 Cb 0.25 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 1x3b n THR 49 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x3b h ASN 50 N -0.02 0.62 0.05 3.42 4.21 -1.95 -2.46 115.58 119.45 1x3b h ASN 50 Ca -0.18 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 56.85 1x3b h ASN 50 Cb 0.79 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1x3b h ASN 50 CO 0.24 0.97 0.00 -0.62 -1.29 0.00 0.00 177.43 176.73 1x3b n GLU 51 N -4.37 0.14 0.03 0.81 1.02 -1.26 -1.18 120.64 115.83 1x3b n GLU 51 Ca -0.05 0.63 -0.01 0.00 -0.02 0.00 0.00 57.16 57.70 1x3b n GLU 51 Cb 0.43 -1.96 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 1x3b n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x3b h ALA 52 N 2.02 -0.29 -0.26 0.62 0.00 -1.71 -3.01 119.26 116.61 1x3b h ALA 52 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1x3b h ALA 52 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x3b h ALA 52 CO 0.00 -0.29 0.20 0.74 0.00 0.00 0.00 179.25 179.91 1x3b h PHE 53 N -0.28 0.00 0.00 0.00 -1.00 -1.47 0.15 116.94 114.34 1x3b h PHE 53 Ca -0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 1x3b h PHE 53 Cb 0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1x3b h PHE 53 CO 0.05 0.00 -0.19 0.00 -1.61 0.00 0.00 178.31 176.55 1x3b h ARG 54 N 0.00 0.00 -0.15 1.51 3.08 -1.24 -2.25 114.38 115.33 1x3b h ARG 54 Ca 0.13 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 1x3b h ARG 54 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1x3b h ARG 54 CO -0.00 0.19 -0.65 0.00 -1.07 0.00 0.00 179.97 178.44 1x3b h ALA 55 N 1.81 0.28 -1.31 0.04 0.00 -0.55 -3.45 119.26 116.07 1x3b h ALA 55 Ca -0.00 -0.55 -0.69 0.00 0.00 0.00 0.00 54.91 53.66 1x3b h ALA 55 Cb 0.34 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.20 1x3b h ALA 55 CO 0.03 0.57 -0.08 1.28 0.00 0.00 0.00 179.25 181.05 1x3b n LEU 56 N -4.06 0.18 -4.78 0.00 4.77 -0.85 -4.93 117.00 107.34 1x3b n LEU 56 Ca -0.07 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1x3b n LEU 56 Cb 0.68 -1.05 0.18 0.00 -2.33 0.00 0.00 43.42 40.90 1x3b n LEU 56 CO 0.50 -2.06 0.74 -2.16 -1.33 0.00 0.00 177.39 173.08 1x3b s PRO 57 N -0.59 0.32 0.32 3.23 0.04 -1.26 -4.84 135.00 132.22 1x3b s PRO 57 Ca 0.73 -0.02 0.26 0.00 0.04 0.00 0.00 61.00 62.01 1x3b s PRO 57 Cb -0.98 -1.77 0.89 0.00 0.04 0.00 0.00 34.50 32.68 1x3b s PRO 57 CO 0.55 -2.69 1.77 -1.00 0.04 0.00 0.00 177.00 175.66 1x3b h PRO 58 N -1.85 0.00 0.12 0.56 0.13 -1.98 -0.76 132.00 128.22 1x3b h PRO 58 Ca -0.47 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1x3b h PRO 58 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1x3b h PRO 58 CO 0.47 0.00 -0.99 0.00 -0.23 0.00 0.00 178.00 177.24 1x3b h ARG 59 N 0.00 0.25 0.00 0.86 2.47 -2.00 -3.22 114.38 112.74 1x3b h ARG 59 Ca 0.00 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1x3b h ARG 59 Cb 0.62 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1x3b h ARG 59 CO 0.00 1.21 0.00 0.93 0.56 0.00 0.00 179.97 182.67 1x3b h GLU 60 N -0.41 0.00 0.00 0.04 5.08 -1.92 -2.93 114.58 114.44 1x3b h GLU 60 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 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 0.10 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.98 1x3b n ARG 61 N -3.04 0.00 0.33 2.33 3.00 -0.30 -2.31 116.66 116.68 1x3b n ARG 61 Ca 0.03 0.15 0.15 0.00 -0.00 0.00 0.00 57.85 58.18 1x3b n ARG 61 Cb 0.48 -0.96 0.81 0.00 0.00 0.00 0.00 32.46 32.79 1x3b n ARG 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1x3b h SER 62 N 0.00 0.00 0.49 6.15 0.02 -1.71 0.72 113.55 119.21 1x3b h SER 62 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1x3b h SER 62 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1x3b h SER 62 CO 0.00 0.00 -0.23 0.03 -1.14 0.00 0.00 176.83 175.49 1x3b h ARG 63 N 0.00 -0.63 0.07 3.45 2.47 -1.50 0.29 114.38 118.53 1x3b h ARG 63 Ca 0.00 0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.57 1x3b h ARG 63 Cb 0.68 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1x3b h ARG 63 CO -0.00 -0.35 -0.98 -0.07 0.56 0.00 0.00 179.97 179.13 1x3b h LEU 64 N -0.82 0.23 -1.40 3.04 3.38 -0.70 -2.23 115.31 116.81 1x3b h LEU 64 Ca -0.07 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1x3b h LEU 64 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x3b h LEU 64 CO 0.11 1.42 0.00 0.18 0.09 0.00 0.00 178.44 180.24 1x3b n LEU 65 N -4.21 0.60 0.00 1.67 4.77 0.23 -3.87 117.00 116.19 1x3b n LEU 65 Ca -0.21 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1x3b n LEU 65 Cb 0.75 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1x3b n LEU 65 CO 0.36 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1x3b n GLY 66 N -1.14 -0.11 3.73 -0.72 0.00 0.10 -4.95 105.19 102.10 1x3b n GLY 66 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x3b n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.00 6.41 -0.09 1.61 1.11 -0.84 -4.91 116.67 118.95 1x3b s ASP 67 Ca 0.00 2.85 -0.26 0.00 0.18 0.00 0.00 52.55 55.32 1x3b s ASP 67 Cb 0.00 -2.61 -0.27 0.00 1.07 0.00 0.00 42.92 41.11 1x3b s ASP 67 CO 0.00 -0.94 0.86 0.00 1.18 0.00 0.00 175.17 176.27 1x3b h ALA 68 N 6.32 -0.02 -0.95 5.23 0.00 -1.87 -2.76 119.26 125.21 1x3b h ALA 68 Ca -0.44 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.01 1x3b h ALA 68 Cb 1.21 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1x3b h ALA 68 CO 0.91 0.13 -0.55 0.87 0.00 0.00 0.00 179.25 180.61 1x3b h LYS 69 N -0.71 -0.03 -0.84 0.00 1.79 -1.94 0.82 116.57 115.66 1x3b h LYS 69 Ca -0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1x3b h LYS 69 Cb 1.20 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 1x3b h LYS 69 CO 0.06 -0.02 0.51 0.93 -1.08 0.00 0.00 179.45 179.85 1x3b h GLU 70 N -0.03 1.14 0.07 3.15 5.08 -1.90 -0.23 114.58 121.86 1x3b h GLU 70 Ca 0.18 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1x3b h GLU 70 Cb 0.45 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1x3b h GLU 70 CO -0.92 0.80 -0.12 1.25 -1.00 0.00 0.00 179.01 179.02 1x3b h LEU 71 N 1.16 -0.36 -0.95 1.33 6.46 0.68 -0.09 115.31 123.53 1x3b h LEU 71 Ca 0.30 0.03 0.21 0.00 -0.12 0.00 0.00 57.88 58.30 1x3b h LEU 71 Cb -0.05 0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 39.89 1x3b h LEU 71 CO -0.06 -0.15 0.53 0.00 -0.62 0.00 0.00 178.44 178.14 1x3b h ALA 72 N -1.43 1.59 -0.61 1.25 0.00 0.03 0.34 119.26 120.42 1x3b h ALA 72 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1x3b h ALA 72 Cb 0.19 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1x3b h ALA 72 CO -0.04 -0.20 0.02 -0.97 0.00 0.00 0.00 179.25 178.06 1x3b h ASN 73 N 0.59 -0.24 -0.02 0.00 -0.73 -0.19 1.37 115.58 116.36 1x3b h ASN 73 Ca 0.58 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.89 1x3b h ASN 73 Cb 1.01 0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.85 1x3b h ASN 73 CO -0.45 -0.10 -0.00 0.40 -0.37 0.00 0.00 177.43 176.91 1x3b h ILE 74 N 0.13 1.28 -0.69 2.57 1.08 0.14 -2.35 117.51 119.67 1x3b h ILE 74 Ca 0.32 -0.83 0.11 0.00 -0.39 0.00 0.00 64.86 64.08 1x3b h ILE 74 Cb 0.52 1.79 -0.08 0.00 -3.07 0.00 0.00 36.82 35.98 1x3b h ILE 74 CO -0.51 0.22 0.28 -0.07 -0.69 0.00 0.00 178.15 177.38 1x3b h LEU 75 N -0.29 0.28 -0.57 1.44 3.38 0.43 0.13 115.31 120.11 1x3b h LEU 75 Ca 0.01 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1x3b h LEU 75 Cb 0.36 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1x3b h LEU 75 CO 0.00 0.14 0.23 0.11 0.09 0.00 0.00 178.44 179.01 1x3b h LYS 76 N 0.46 0.41 0.00 1.13 1.57 0.19 0.53 116.57 120.86 1x3b h LYS 76 Ca 0.36 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1x3b h LYS 76 Cb 0.48 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1x3b h LYS 76 CO -0.34 0.27 0.00 0.98 -0.57 0.00 0.00 179.45 179.79 1x3b n TYR 77 N -4.97 0.00 0.13 -1.35 9.36 0.14 -1.95 117.16 118.53 1x3b n TYR 77 Ca 0.07 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.40 1x3b n TYR 77 Cb 0.23 -0.46 -0.10 0.00 -0.63 0.00 0.00 39.34 38.38 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 -1.46 0.30 -3.98 2.98 8.25 0.15 -4.90 115.22 116.56 1x3b n HIS 78 Ca 0.05 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 1x3b n HIS 78 Cb 0.21 -0.60 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.42 5.19 0.20 1.59 1.01 0.73 -2.37 121.20 124.13 1x3b s ILE 79 Ca -0.04 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.56 1x3b s ILE 79 Cb 0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1x3b s ILE 79 CO 0.86 0.43 -0.03 -0.83 0.00 0.00 0.00 174.94 175.37 1x3b s GLY 80 N -1.57 1.70 -0.60 6.18 0.00 0.48 -3.15 107.32 110.36 1x3b s GLY 80 Ca 0.22 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 1x3b s GLY 80 CO 0.12 -1.51 2.06 1.34 0.00 0.00 0.00 173.10 175.12 1x3b n ASP 81 N -0.28 7.39 0.00 1.64 2.03 0.53 -1.97 116.55 125.89 1x3b n ASP 81 Ca -0.09 -3.62 0.00 0.00 0.52 0.00 0.00 54.79 51.60 1x3b n ASP 81 Cb 0.56 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -0.55 0.00 -3.31 -0.67 0.28 -1.26 -4.93 120.64 110.20 1x3b n GLU 82 Ca 0.55 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.16 1x3b n GLU 82 Cb 0.60 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.40 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 5.15 -0.09 3.84 -1.09 -1.26 -3.42 121.20 122.33 1x3b s ILE 83 Ca 0.00 0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 59.26 1x3b s ILE 83 Cb 0.00 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1x3b s ILE 83 CO 0.00 0.22 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.67 1x3b s LEU 84 N 1.42 0.95 0.23 2.97 0.20 -1.26 -5.09 118.68 118.11 1x3b s LEU 84 Ca 0.22 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1x3b s LEU 84 Cb -0.15 -0.66 -0.05 0.00 -0.43 0.00 0.00 46.19 44.90 1x3b s LEU 84 CO 0.09 -0.14 0.06 0.68 -0.29 0.00 0.00 176.35 176.75 1x3b s VAL 85 N 1.77 0.65 -1.20 1.68 -7.23 -1.26 -4.93 120.40 109.87 1x3b s VAL 85 Ca 0.04 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1x3b s VAL 85 Cb -0.13 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1x3b s VAL 85 CO -0.06 -0.16 2.22 -1.54 -0.31 0.00 0.00 175.10 175.25 1x3b n SER 86 N -0.40 4.27 0.09 4.85 3.41 -1.26 -3.93 113.62 120.64 1x3b n SER 86 Ca -0.02 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1x3b n SER 86 Cb 0.65 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.17 2.59 5.00 0.00 -1.26 -4.95 105.19 110.52 1x3b n GLY 87 Ca 0.54 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 1x3b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3b n GLY 88 N 2.36 4.75 0.00 -0.02 0.00 -1.25 -5.01 105.19 106.01 1x3b n GLY 88 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 0.30 0.00 0.00 -0.61 2.08 -1.26 -5.02 119.36 114.84 1x3b n ILE 89 Ca 0.29 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.60 1x3b n ILE 89 Cb 0.46 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 3.45 0.13 5.10 7.39 0.00 -1.26 -4.89 105.19 115.11 1x3b n GLY 90 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.12 4.61 0.00 -1.26 -4.66 120.51 116.08 1x3b n ALA 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N 0.00 1.11 -0.02 0.00 1.98 -1.26 -4.15 118.68 116.34 1x3b s LEU 92 Ca 0.00 -0.09 -0.05 0.00 -2.89 0.00 0.00 54.13 51.09 1x3b s LEU 92 Cb 0.00 1.08 0.00 0.00 0.66 0.00 0.00 46.19 47.94 1x3b s LEU 92 CO 0.00 -0.47 0.11 -0.69 -1.89 0.00 0.00 176.35 173.42 1x3b s VAL 93 N -1.69 0.05 -0.44 1.68 1.01 -1.01 -5.03 120.40 114.97 1x3b s VAL 93 Ca -0.11 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1x3b s VAL 93 Cb -0.05 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 36.11 1x3b s VAL 93 CO 0.01 -0.22 0.30 -0.13 0.00 0.00 0.00 175.10 175.06 1x3b s ARG 94 N -0.72 2.68 -0.41 2.72 0.52 -1.26 -2.57 118.95 119.91 1x3b s ARG 94 Ca -0.08 -1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 53.44 1x3b s ARG 94 Cb -0.05 -3.87 0.02 0.00 0.52 0.00 0.00 34.95 31.56 1x3b s ARG 94 CO 0.01 -0.99 0.75 -1.17 0.02 0.00 0.00 175.30 173.91 1x3b s LEU 95 N 1.47 4.25 0.05 2.53 0.20 0.90 -4.86 118.68 123.21 1x3b s LEU 95 Ca 0.03 0.03 -0.31 0.00 0.69 0.00 0.00 54.13 54.57 1x3b s LEU 95 Cb -0.24 -2.93 -0.07 0.00 -0.43 0.00 0.00 46.19 42.53 1x3b s LEU 95 CO 0.03 -0.80 1.40 -0.75 -0.29 0.00 0.00 176.35 175.93 1x3b s LYS 96 N 3.10 4.30 0.06 1.98 2.20 -1.26 0.18 119.74 130.30 1x3b s LYS 96 Ca 0.29 2.02 0.02 0.00 -0.36 0.00 0.00 55.97 57.93 1x3b s LYS 96 Cb -0.13 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1x3b s LYS 96 CO 0.20 -0.51 0.09 0.45 -0.36 0.00 0.00 175.35 175.22 1x3b s SER 97 N 1.55 5.65 0.22 1.43 0.15 -1.19 -0.35 113.70 121.15 1x3b s SER 97 Ca 0.64 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 57.25 1x3b s SER 97 Cb -0.34 -1.56 0.34 0.00 -1.71 0.00 0.00 66.02 62.74 1x3b s SER 97 CO 0.28 0.19 1.68 -0.07 1.20 0.00 0.00 173.24 176.53 1x3b h LEU 98 N 3.42 -0.10 -1.23 3.45 4.07 -1.63 0.31 115.31 123.60 1x3b h LEU 98 Ca -0.47 0.14 0.38 0.00 0.08 0.00 0.00 57.88 58.01 1x3b h LEU 98 Cb 1.17 0.21 -0.14 0.00 1.08 0.00 0.00 40.66 42.98 1x3b h LEU 98 CO 0.66 -0.05 0.71 -0.61 -1.08 0.00 0.00 178.44 178.07 1x3b h GLN 99 N 0.20 0.18 0.00 1.13 5.75 -1.79 -3.45 115.11 117.13 1x3b h GLN 99 Ca 0.34 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1x3b h GLN 99 Cb 0.55 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1x3b h GLN 99 CO -0.48 0.12 0.00 0.41 -2.65 0.00 0.00 178.83 176.23 1x3b n GLY 100 N -1.41 3.74 3.72 2.39 0.00 0.11 -4.97 105.19 108.76 1x3b n GLY 100 Ca 0.34 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 6.88 0.18 1.61 1.01 -1.26 -4.52 116.67 120.57 1x3b s ASP 101 Ca 0.00 2.29 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 1x3b s ASP 101 Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1x3b s ASP 101 CO 0.00 -0.60 1.08 -0.54 0.21 0.00 0.00 175.17 175.32 1x3b s LYS 102 N 0.88 4.62 0.08 8.23 3.01 -1.26 -3.20 119.74 132.10 1x3b s LYS 102 Ca 0.62 1.69 -0.13 0.00 -1.01 0.00 0.00 55.97 57.14 1x3b s LYS 102 Cb -0.36 -3.28 -0.06 0.00 -1.01 0.00 0.00 37.83 33.12 1x3b s LYS 102 CO 0.31 0.12 0.45 -0.51 0.51 0.00 0.00 175.35 176.24 1x3b s LEU 103 N -0.47 4.39 -0.15 3.17 1.43 0.48 -4.85 118.68 122.69 1x3b s LEU 103 Ca 0.48 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.37 1x3b s LEU 103 Cb -0.29 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1x3b s LEU 103 CO 0.35 0.20 0.35 -0.70 0.23 0.00 0.00 176.35 176.77 1x3b s GLU 104 N -1.66 4.28 -0.10 1.70 2.12 -1.26 -0.07 118.70 123.70 1x3b s GLU 104 Ca 0.32 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.80 1x3b s GLU 104 Cb -0.15 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.86 1x3b s GLU 104 CO 0.17 0.22 0.22 0.08 -0.54 0.00 0.00 175.26 175.41 1x3b s VAL 105 N 0.50 -0.20 0.31 3.70 1.01 -1.06 -2.04 120.40 122.61 1x3b s VAL 105 Ca 0.19 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1x3b s VAL 105 Cb -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1x3b s VAL 105 CO 0.06 0.10 0.24 -0.94 0.00 0.00 0.00 175.10 174.55 1x3b s SER 106 N 1.81 1.46 -0.23 3.32 1.04 -1.24 -2.41 113.70 117.44 1x3b s SER 106 Ca -0.04 -1.68 -0.01 0.00 0.48 0.00 0.00 55.95 54.71 1x3b s SER 106 Cb -0.11 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.58 1x3b s SER 106 CO -0.08 -1.01 -0.00 -0.22 0.98 0.00 0.00 173.24 172.91 1x3b s LEU 107 N -3.35 2.15 -0.01 2.42 2.96 -1.26 -3.66 118.68 117.93 1x3b s LEU 107 Ca 0.39 -1.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1x3b s LEU 107 Cb 0.03 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.76 1x3b s LEU 107 CO 0.24 -0.28 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.19 1x3b s LYS 108 N 1.56 0.43 -1.90 1.98 2.20 -0.98 -4.74 119.74 118.29 1x3b s LYS 108 Ca -0.02 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1x3b s LYS 108 Cb -0.18 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 1x3b s LYS 108 CO -0.09 0.03 0.00 0.09 -0.36 0.00 0.00 175.35 175.02 1x3b n ASN 109 N 3.34 -5.53 -0.72 1.43 3.02 -1.26 0.34 115.26 115.89 1x3b n ASN 109 Ca -0.17 0.44 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 1x3b n ASN 109 Cb 0.56 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 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 -1.30 -3.75 -4.37 6.41 5.15 -1.26 -5.01 115.26 111.14 1x3b n ASN 110 Ca -0.18 0.15 -0.32 0.00 -0.60 0.00 0.00 54.58 53.63 1x3b n ASN 110 Cb 0.66 -2.24 -0.15 0.00 -0.53 0.00 0.00 39.78 37.51 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 -2.34 2.61 -0.12 3.44 1.01 0.15 -5.12 120.40 120.05 1x3b s VAL 111 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1x3b s VAL 111 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1x3b s VAL 111 CO 0.00 0.57 0.23 -0.69 0.00 0.00 0.00 175.10 175.21 1x3b s VAL 112 N -0.30 5.35 0.08 2.92 1.01 -1.26 -2.31 120.40 125.89 1x3b s VAL 112 Ca 0.01 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1x3b s VAL 112 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1x3b s VAL 112 CO 0.03 0.53 -0.11 -0.44 0.00 0.00 0.00 175.10 175.11 1x3b s SER 113 N -0.51 1.44 -0.24 3.32 0.01 -1.24 -2.49 113.70 113.99 1x3b s SER 113 Ca 0.16 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1x3b s SER 113 Cb -0.13 -0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.17 1x3b s SER 113 CO 0.05 -0.18 0.10 0.54 0.41 0.00 0.00 173.24 174.15 1x3b s VAL 114 N -1.81 0.18 -0.46 3.43 0.11 -0.21 -3.71 120.40 117.92 1x3b s VAL 114 Ca -0.00 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1x3b s VAL 114 Cb -0.07 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1x3b s VAL 114 CO 0.01 -0.50 0.18 0.59 -3.33 0.00 0.00 175.10 172.06 1x3b n ASN 115 N 5.16 -2.90 -1.30 3.54 3.02 -0.87 -2.75 115.26 119.16 1x3b n ASN 115 Ca -0.06 -0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1x3b n ASN 115 Cb 0.45 -1.82 -0.01 0.00 -0.61 0.00 0.00 39.78 37.78 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 -1.72 -0.93 -5.24 3.52 5.02 -1.26 -5.01 118.16 112.54 1x3b n LYS 116 Ca -0.03 0.61 -0.31 0.00 -2.02 0.00 0.00 58.31 56.56 1x3b n LYS 116 Cb 0.54 -4.75 -0.16 0.00 -0.02 0.00 0.00 35.03 30.64 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 -4.43 2.05 0.15 1.97 2.02 -1.11 -5.11 118.70 114.24 1x3b s GLU 117 Ca 0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 1x3b s GLU 117 Cb 0.00 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 32.15 1x3b s GLU 117 CO 0.00 0.55 1.13 -1.25 0.02 0.00 0.00 175.26 175.71 1x3b s PRO 118 N -0.68 4.54 0.29 0.39 0.04 -1.26 -1.04 135.00 137.28 1x3b s PRO 118 Ca 0.10 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1x3b s PRO 118 Cb -0.10 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1x3b s PRO 118 CO -0.01 -0.02 0.60 0.08 0.04 0.00 0.00 177.00 177.69 1x3b s VAL 119 N 0.10 4.93 0.00 -0.36 1.01 -1.04 -2.75 120.40 122.30 1x3b s VAL 119 Ca 0.52 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1x3b s VAL 119 Cb -0.30 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1x3b s VAL 119 CO 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.17 1x3b n ALA 120 N -0.72 0.00 -3.44 5.51 0.00 0.67 -4.75 120.51 117.77 1x3b n ALA 120 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1x3b n ALA 120 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.85 0.61 0.89 0.00 2.02 -0.87 -4.99 118.70 115.51 1x3b s GLU 121 Ca 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 54.97 53.36 1x3b s GLU 121 Cb 0.00 -1.31 0.21 0.00 0.10 0.00 0.00 34.13 33.13 1x3b s GLU 121 CO 0.00 -1.25 0.98 -0.35 0.02 0.00 0.00 175.26 174.66 1x3b n PRO 122 N 3.80 -1.88 -2.94 0.39 -0.04 -1.26 -3.07 135.00 130.00 1x3b n PRO 122 Ca 0.16 -1.54 -0.06 0.00 -0.04 0.00 0.00 63.50 62.02 1x3b n PRO 122 Cb 0.39 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.10 -6.63 -4.12 3.54 9.92 -1.23 -4.91 116.55 109.02 1x3b n ASP 123 Ca 0.13 -0.31 -0.37 0.00 -0.53 0.00 0.00 54.79 53.71 1x3b n ASP 123 Cb 0.47 -4.71 -0.10 0.00 -0.64 0.00 0.00 41.12 36.14 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1x3b s ILE 124 N -3.15 3.64 0.23 0.53 1.01 -0.60 -4.99 121.20 117.88 1x3b s ILE 124 Ca 0.18 -2.56 -0.32 0.00 0.00 0.00 0.00 60.65 57.95 1x3b s ILE 124 Cb -0.02 -3.41 -0.13 0.00 0.01 0.00 0.00 42.46 38.91 1x3b s ILE 124 CO 0.65 -0.81 1.53 0.23 0.00 0.00 0.00 174.94 176.54 1x3b n MET 125 N 3.97 2.32 -1.31 2.79 2.81 -1.26 -2.09 117.12 124.35 1x3b n MET 125 Ca 0.03 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 1x3b n MET 125 Cb 0.39 -2.57 0.00 0.00 -0.71 0.00 0.00 33.22 30.34 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 2.51 0.00 0.07 3.04 0.00 -0.81 -4.93 120.51 120.39 1x3b n ALA 126 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1x3b n ALA 126 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 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 0.66 1.24 -0.50 0.00 1.35 -1.89 -3.41 112.91 110.36 1x3b h THR 127 Ca 0.00 -2.54 -0.27 0.00 -0.55 0.00 0.00 66.41 63.05 1x3b h THR 127 Cb 0.00 2.97 -0.31 0.00 -1.73 0.00 0.00 68.15 69.08 1x3b h THR 127 CO 0.00 0.76 -0.87 -0.46 -0.25 0.00 0.00 175.52 174.69 1x3b n ASN 128 N -3.89 0.37 0.00 5.36 6.94 -1.26 -5.02 115.26 117.75 1x3b n ASN 128 Ca -0.19 -2.41 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 1x3b n ASN 128 Cb 0.95 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 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 -0.52 -1.08 3.28 4.83 0.00 -1.26 -3.43 105.19 107.00 1x3b n GLY 129 Ca 0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 0.35 -0.07 1.61 0.11 -1.22 -1.92 120.40 116.26 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 -2.58 0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1x3b s VAL 130 CO 0.00 0.00 0.30 -0.69 -3.33 0.00 0.00 175.10 171.38 1x3b s VAL 131 N -3.89 0.03 -0.32 2.04 1.01 -0.89 -3.54 120.40 114.84 1x3b s VAL 131 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1x3b s VAL 131 Cb 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 36.06 1x3b s VAL 131 CO 0.13 -0.12 0.11 -1.00 0.00 0.00 0.00 175.10 174.22 1x3b s HIS 132 N -0.47 1.79 0.10 5.22 3.76 -0.89 -1.56 115.29 123.25 1x3b s HIS 132 Ca -0.06 -1.83 -0.31 0.00 -0.15 0.00 0.00 55.06 52.72 1x3b s HIS 132 Cb -0.04 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.79 1x3b s HIS 132 CO 0.02 -0.88 1.87 0.08 -0.85 0.00 0.00 174.74 174.98 1x3b s VAL 133 N 1.51 2.67 0.43 -0.90 1.01 -1.18 -3.58 120.40 120.37 1x3b s VAL 133 Ca 0.10 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1x3b s VAL 133 Cb -0.18 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1x3b s VAL 133 CO -0.23 -0.00 0.56 0.27 0.00 0.00 0.00 175.10 175.70 1x3b s ILE 134 N 3.22 2.91 -0.20 2.22 -4.36 -0.25 0.24 121.20 124.98 1x3b s ILE 134 Ca 0.83 -1.04 0.14 0.00 -0.26 0.00 0.00 60.65 60.33 1x3b s ILE 134 Cb -0.45 -2.94 0.43 0.00 1.25 0.00 0.00 42.46 40.75 1x3b s ILE 134 CO 0.38 0.00 1.31 0.35 0.24 0.00 0.00 174.94 177.22 1x3b n THR 135 N -1.84 2.22 -3.62 8.37 -2.24 -1.11 -2.51 114.28 113.55 1x3b n THR 135 Ca 0.08 -2.47 -0.05 0.00 -2.27 0.00 0.00 64.05 59.34 1x3b n THR 135 Cb 0.59 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.61 -0.16 -0.12 3.42 -0.87 -1.26 -4.69 114.94 108.66 1x3b s ASN 136 Ca 0.39 0.20 -0.30 0.00 -1.57 0.00 0.00 52.86 51.58 1x3b s ASN 136 Cb 0.34 0.16 -0.02 0.00 -0.02 0.00 0.00 41.25 41.71 1x3b s ASN 136 CO 0.02 -0.13 1.28 -0.69 -2.57 0.00 0.00 177.10 175.01 1x3b s VAL 137 N -0.84 4.19 0.78 1.60 1.01 -1.26 -4.73 120.40 121.15 1x3b s VAL 137 Ca 0.05 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 1x3b s VAL 137 Cb -0.02 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1x3b s VAL 137 CO -0.06 -0.08 1.08 -0.76 0.00 0.00 0.00 175.10 175.28 1x3b s LEU 138 N 3.10 2.80 -0.00 3.92 1.43 -1.26 -5.08 118.68 123.59 1x3b s LEU 138 Ca 0.57 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 55.20 1x3b s LEU 138 Cb -0.24 -4.26 -0.00 0.00 0.03 0.00 0.00 46.19 41.73 1x3b s LEU 138 CO 0.18 -1.99 0.11 -1.10 0.23 0.00 0.00 176.35 173.79 1x3b s GLN 139 N -5.00 0.41 0.97 1.70 -0.21 -1.26 -5.07 119.66 111.20 1x3b s GLN 139 Ca 0.61 -0.35 -0.14 0.00 0.02 0.00 0.00 55.36 55.50 1x3b s GLN 139 Cb -0.16 0.17 0.17 0.00 1.00 0.00 0.00 33.01 34.19 1x3b s GLN 139 CO 0.56 -0.09 1.16 -1.25 -2.12 0.00 0.00 175.29 173.55 1x3b s PRO 140 N -1.20 0.68 -0.55 2.91 0.04 -1.26 -4.87 135.00 130.76 1x3b s PRO 140 Ca -0.13 0.11 -0.27 0.00 0.04 0.00 0.00 61.00 60.75 1x3b s PRO 140 Cb -0.07 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1x3b s PRO 140 CO 0.01 -2.47 2.45 0.43 0.04 0.00 0.00 177.00 177.45 1x3b n SER 141 N -3.92 2.06 -0.13 6.66 7.64 -1.26 -4.76 113.62 119.91 1x3b n SER 141 Ca 0.09 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1x3b n SER 141 Cb 0.59 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3b n GLY 142 N 6.09 2.21 1.66 0.23 0.00 -1.26 -5.18 105.19 108.94 1x3b n GLY 142 Ca 0.41 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1x3b n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3b n PRO 143 N 0.00 -1.27 -4.30 1.61 -0.04 -1.26 -5.10 135.00 124.64 1x3b n PRO 143 Ca 0.00 -0.86 -0.16 0.00 -0.04 0.00 0.00 63.50 62.44 1x3b n PRO 143 Cb 0.00 -0.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 1x3b n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3b s SER 144 N -3.02 1.31 0.27 3.54 0.15 -1.26 -5.04 113.70 109.66 1x3b s SER 144 Ca 0.33 -1.30 -0.25 0.00 0.70 0.00 0.00 55.95 55.43 1x3b s SER 144 Cb -0.02 0.12 -0.09 0.00 -1.71 0.00 0.00 66.02 64.32 1x3b s SER 144 CO 0.24 -0.65 0.88 -0.44 1.20 0.00 0.00 173.24 174.47 1x3b s SER 145 N -3.27 7.33 0.00 5.45 0.01 -1.26 -5.29 113.70 116.67 1x3b s SER 145 Ca 0.32 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1x3b s SER 145 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1x3b s SER 145 CO 0.10 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.38