#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b n SER 2 N 0.00 -7.51 0.17 1.61 2.88 -1.26 -4.97 113.62 104.54 1x3b n SER 2 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1x3b n SER 2 Cb 0.00 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 58.73 1x3b n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x3b n SER 3 N -0.36 -1.82 -3.87 -3.46 7.64 -1.26 -5.13 113.62 105.36 1x3b n SER 3 Ca 0.08 0.63 -0.12 0.00 1.01 0.00 0.00 58.87 60.47 1x3b n SER 3 Cb 0.50 1.83 -0.13 0.00 -1.01 0.00 0.00 64.21 65.40 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 -3.71 0.00 -0.29 0.23 0.00 -1.26 -5.14 107.32 97.15 1x3b s GLY 4 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.56 1x3b s GLY 4 CO 0.00 -0.00 1.20 -0.56 0.00 0.00 0.00 173.10 173.74 1x3b s SER 5 N -0.23 -0.22 0.03 1.64 0.01 -1.26 -5.17 113.70 108.50 1x3b s SER 5 Ca -0.03 0.37 0.09 0.00 1.31 0.00 0.00 55.95 57.69 1x3b s SER 5 Cb -0.02 0.84 -0.03 0.00 0.21 0.00 0.00 66.02 67.02 1x3b s SER 5 CO 0.00 -0.06 -0.26 -0.44 0.41 0.00 0.00 173.24 172.89 1x3b s SER 6 N 0.78 3.10 0.18 2.44 0.01 -1.26 -5.09 113.70 113.85 1x3b s SER 6 Ca -0.03 -0.56 -0.32 0.00 1.31 0.00 0.00 55.95 56.34 1x3b s SER 6 Cb -0.04 -0.29 -0.12 0.00 0.21 0.00 0.00 66.02 65.78 1x3b s SER 6 CO -0.12 0.26 1.71 0.61 0.41 0.00 0.00 173.24 176.11 1x3b n GLY 7 N 1.91 1.46 1.76 3.44 0.00 -1.26 -4.50 105.19 108.00 1x3b n GLY 7 Ca -0.17 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1x3b n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x3b n MET 8 N 4.12 -4.92 -3.77 1.61 0.00 -1.26 -4.98 117.12 107.92 1x3b n MET 8 Ca 0.17 3.55 -0.30 0.00 0.00 0.00 0.00 57.70 61.12 1x3b n MET 8 Cb 0.34 -3.91 -0.15 0.00 0.00 0.00 0.00 33.22 29.50 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 -1.90 1.13 0.67 3.03 0.00 -1.26 -5.06 107.32 103.91 1x3b s GLY 9 Ca 0.00 -1.65 -0.15 0.00 0.00 0.00 0.00 44.72 42.91 1x3b s GLY 9 CO 0.00 1.51 1.13 -0.51 0.00 0.00 0.00 173.10 175.23 1x3b s THR 10 N 1.57 3.07 0.20 0.90 -4.23 -1.26 -2.53 115.64 113.35 1x3b s THR 10 Ca 0.08 0.51 -0.20 0.00 -1.18 0.00 0.00 61.69 60.91 1x3b s THR 10 Cb -0.17 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.78 1x3b s THR 10 CO -0.22 -0.29 1.45 0.55 -0.54 0.00 0.00 174.62 175.57 1x3b n VAL 11 N -2.41 -0.53 -0.15 2.29 3.14 -1.26 0.11 118.33 119.52 1x3b n VAL 11 Ca 0.11 2.21 -0.04 0.00 -2.96 0.00 0.00 64.34 63.67 1x3b n VAL 11 Cb 0.52 -2.88 0.05 0.00 -1.06 0.00 0.00 33.84 30.47 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 0.33 -0.26 1.45 2.86 -1.90 -1.88 114.93 115.53 1x3b h MET 12 Ca 0.28 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1x3b h MET 12 Cb 0.52 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1x3b h MET 12 CO -0.92 0.22 0.10 -0.44 1.06 0.00 0.00 176.91 176.93 1x3b h ASP 13 N 0.34 0.12 -1.33 1.22 5.19 0.52 0.33 116.42 122.81 1x3b h ASP 13 Ca 0.23 0.02 0.39 0.00 -0.62 0.00 0.00 57.03 57.05 1x3b h ASP 13 Cb 0.23 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 1x3b h ASP 13 CO -0.23 0.10 0.95 0.58 -3.12 0.00 0.00 179.24 177.52 1x3b h VAL 14 N 0.22 0.33 0.21 -1.35 2.07 0.12 1.31 116.25 119.17 1x3b h VAL 14 Ca 0.11 -0.01 -0.30 0.00 0.82 0.00 0.00 66.70 67.32 1x3b h VAL 14 Cb 0.07 0.29 0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1x3b h VAL 14 CO -0.11 0.01 -1.38 -0.07 0.02 0.00 0.00 177.57 176.04 1x3b h LEU 15 N 0.03 0.71 -0.64 2.57 3.38 -0.69 -2.99 115.31 117.69 1x3b h LEU 15 Ca 0.65 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1x3b h LEU 15 Cb 2.52 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 43.01 1x3b h LEU 15 CO -0.04 1.65 0.38 0.11 0.09 0.00 0.00 178.44 180.63 1x3b h LYS 16 N 0.00 0.87 0.28 1.13 1.57 0.26 -2.89 116.57 117.79 1x3b h LYS 16 Ca -0.25 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1x3b h LYS 16 Cb 2.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1x3b h LYS 16 CO 0.22 0.62 -0.21 0.78 -0.57 0.00 0.00 179.45 180.30 1x3b h GLY 17 N 0.87 -0.50 -4.50 3.86 0.00 0.17 -3.41 103.07 99.56 1x3b h GLY 17 Ca 0.23 0.23 -0.53 0.00 0.00 0.00 0.00 47.33 47.26 1x3b h GLY 17 CO -0.04 -0.20 0.76 0.99 0.00 0.00 0.00 176.54 178.04 1x3b s ASP 18 N -4.78 6.76 0.00 0.19 1.11 -1.09 -4.92 116.67 113.95 1x3b s ASP 18 Ca -0.16 2.43 -0.19 0.00 0.18 0.00 0.00 52.55 54.82 1x3b s ASP 18 Cb 0.06 -2.59 -0.29 0.00 1.07 0.00 0.00 42.92 41.17 1x3b s ASP 18 CO 0.64 -0.68 1.03 0.78 1.18 0.00 0.00 175.17 178.12 1x3b h ASN 19 N 6.50 0.64 -0.92 0.27 2.35 -1.80 -3.28 115.58 119.33 1x3b h ASN 19 Ca -0.43 -0.85 0.31 0.00 -0.55 0.00 0.00 56.30 54.78 1x3b h ASN 19 Cb 1.21 -0.20 -0.17 0.00 0.05 0.00 0.00 38.32 39.21 1x3b h ASN 19 CO 0.86 1.43 0.22 0.54 -1.65 0.00 0.00 177.43 178.83 1x3b n ARG 20 N -4.03 -0.07 -2.49 0.81 1.74 -1.26 0.64 116.66 112.00 1x3b n ARG 20 Ca -0.13 1.34 -0.36 0.00 -0.77 0.00 0.00 57.85 57.93 1x3b n ARG 20 Cb 0.84 -2.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1x3b n ARG 20 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x3b n PHE 21 N -5.25 3.21 -0.06 -1.55 3.72 -1.24 -4.31 117.46 111.98 1x3b n PHE 21 Ca 0.27 -2.90 -0.03 0.00 -0.05 0.00 0.00 57.45 54.75 1x3b n PHE 21 Cb 0.91 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1x3b n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x3b h SER 22 N 3.37 0.00 -0.82 4.37 4.64 0.08 -3.31 113.55 121.89 1x3b h SER 22 Ca 0.42 -0.09 0.19 0.00 -0.47 0.00 0.00 61.79 61.84 1x3b h SER 22 Cb 0.37 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.34 1x3b h SER 22 CO 1.12 0.62 0.26 0.24 -0.87 0.00 0.00 176.83 178.19 1x3b h MET 23 N -1.00 0.29 -0.47 4.77 2.86 -1.85 0.33 114.93 119.87 1x3b h MET 23 Ca -0.01 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1x3b h MET 23 Cb 0.22 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.71 1x3b h MET 23 CO -0.01 0.20 -0.31 1.25 1.06 0.00 0.00 176.91 179.10 1x3b h LEU 24 N 0.30 -1.03 -0.31 1.22 5.85 -1.92 -0.65 115.31 118.78 1x3b h LEU 24 Ca 0.49 0.20 0.05 0.00 0.84 0.00 0.00 57.88 59.46 1x3b h LEU 24 Cb 0.89 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 42.35 1x3b h LEU 24 CO -0.54 -0.30 -0.50 0.58 -0.34 0.00 0.00 178.44 177.34 1x3b h VAL 25 N -0.20 0.05 -0.93 1.05 2.07 -1.01 0.15 116.25 117.43 1x3b h VAL 25 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 1x3b h VAL 25 Cb 0.53 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 30.18 1x3b h VAL 25 CO -0.58 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 176.84 1x3b h ALA 26 N 0.07 0.72 -0.52 1.67 0.00 -0.91 1.49 119.26 121.78 1x3b h ALA 26 Ca 0.09 0.35 0.08 0.00 0.00 0.00 0.00 54.91 55.43 1x3b h ALA 26 Cb 0.62 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1x3b h ALA 26 CO -0.53 -0.42 0.16 0.00 0.00 0.00 0.00 179.25 178.46 1x3b h ALA 27 N 1.93 0.62 0.53 0.00 0.00 0.21 0.56 119.26 123.12 1x3b h ALA 27 Ca 0.47 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1x3b h ALA 27 Cb 0.78 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1x3b h ALA 27 CO -0.93 -0.25 -0.26 0.82 0.00 0.00 0.00 179.25 178.64 1x3b h ILE 28 N 0.32 0.40 -0.90 0.00 2.04 0.30 0.55 117.51 120.22 1x3b h ILE 28 Ca 0.26 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 66.02 1x3b h ILE 28 Cb 0.31 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 36.78 1x3b h ILE 28 CO -0.28 0.04 0.41 -0.61 0.00 0.00 0.00 178.15 177.71 1x3b h GLN 29 N -0.92 0.43 -0.11 2.37 -0.00 0.11 1.26 115.11 118.24 1x3b h GLN 29 Ca -0.07 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.49 1x3b h GLN 29 Cb 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1x3b h GLN 29 CO 0.12 0.28 -0.15 1.03 0.00 0.00 0.00 178.83 180.11 1x3b h SER 30 N 0.44 0.33 -0.24 -0.69 0.87 0.31 -2.98 113.55 111.58 1x3b h SER 30 Ca 0.55 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x3b h SER 30 Cb 1.02 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1x3b h SER 30 CO -0.50 0.78 0.14 0.00 -0.53 0.00 0.00 176.83 176.72 1x3b h ALA 31 N 0.56 1.77 -0.82 6.23 0.00 0.24 -3.47 119.26 123.78 1x3b h ALA 31 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x3b h ALA 31 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x3b h ALA 31 CO 0.04 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1x3b n GLY 32 N -1.43 0.93 0.01 0.00 0.00 0.41 -4.87 105.19 100.24 1x3b n GLY 32 Ca 0.01 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.41 0.06 -0.15 0.99 4.77 -1.03 -4.51 117.00 116.73 1x3b n LEU 33 Ca 0.00 -0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1x3b n LEU 33 Cb 0.38 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1x3b n LEU 33 CO 0.00 0.02 0.68 0.74 -1.33 0.00 0.00 177.39 177.50 1x3b h THR 34 N 0.00 0.30 -0.16 -5.08 2.02 -1.90 -1.14 112.91 106.96 1x3b h THR 34 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1x3b h THR 34 Cb 0.75 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1x3b h THR 34 CO 0.00 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 175.05 1x3b h GLU 35 N -0.15 -0.53 -0.63 6.66 5.08 -1.94 1.53 114.58 124.60 1x3b h GLU 35 Ca 0.21 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1x3b h GLU 35 Cb 0.49 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 1x3b h GLU 35 CO -0.56 -0.35 -0.36 1.15 -1.00 0.00 0.00 179.01 177.89 1x3b h THR 36 N -0.55 0.14 0.00 1.13 2.02 -1.57 1.60 112.91 115.69 1x3b h THR 36 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1x3b h THR 36 Cb 0.67 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1x3b h THR 36 CO -0.44 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.38 1x3b h LEU 37 N -0.16 0.00 -1.11 2.58 3.38 -0.27 -1.57 115.31 118.16 1x3b h LEU 37 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1x3b h LEU 37 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1x3b h LEU 37 CO -0.71 0.00 -0.38 -1.13 0.09 0.00 0.00 178.44 176.31 1x3b h ASN 38 N 0.00 0.00 -3.66 -0.43 -0.73 1.37 -3.44 115.58 108.70 1x3b h ASN 38 Ca 0.00 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.67 1x3b h ASN 38 Cb 0.42 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 1x3b h ASN 38 CO 0.00 0.38 0.26 -0.13 -0.37 0.00 0.00 177.43 177.58 1x3b s ARG 39 N -3.83 4.67 0.44 6.67 0.52 -0.02 -5.01 118.95 122.40 1x3b s ARG 39 Ca -0.01 1.30 -0.25 0.00 -0.52 0.00 0.00 55.73 56.25 1x3b s ARG 39 Cb 0.12 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 1x3b s ARG 39 CO 0.70 0.51 1.27 0.39 0.02 0.00 0.00 175.30 178.19 1x3b n GLU 40 N 1.39 1.87 0.00 3.54 1.02 -1.26 -4.79 120.64 122.40 1x3b n GLU 40 Ca -0.03 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1x3b n GLU 40 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 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 0.82 -0.49 3.39 0.62 0.00 -1.26 -5.11 105.19 103.16 1x3b n GLY 41 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -1.38 -0.02 -0.27 1.61 -7.23 -1.25 -4.10 120.40 107.76 1x3b s VAL 42 Ca 0.00 0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1x3b s VAL 42 Cb 0.00 -0.74 0.13 0.00 0.56 0.00 0.00 36.38 36.33 1x3b s VAL 42 CO 0.00 0.02 0.56 -0.31 -0.31 0.00 0.00 175.10 175.07 1x3b s TYR 43 N 1.45 -1.22 -0.45 2.82 2.02 -1.26 -4.01 117.35 116.70 1x3b s TYR 43 Ca -0.09 1.90 -0.23 0.00 -0.37 0.00 0.00 57.07 58.27 1x3b s TYR 43 Cb -0.07 0.58 0.03 0.00 -0.40 0.00 0.00 41.96 42.09 1x3b s TYR 43 CO -0.15 -0.67 0.81 0.99 -1.57 0.00 0.00 175.55 174.96 1x3b s THR 44 N 2.79 4.62 0.23 -0.71 2.01 -1.19 -3.83 115.64 119.56 1x3b s THR 44 Ca 0.02 0.50 0.09 0.00 0.31 0.00 0.00 61.69 62.60 1x3b s THR 44 Cb -0.13 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 1x3b s THR 44 CO -0.18 -0.73 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.29 1x3b s VAL 45 N 3.36 3.32 -0.14 3.82 1.01 -1.22 0.12 120.40 130.67 1x3b s VAL 45 Ca 0.31 -1.84 -0.00 0.00 0.00 0.00 0.00 61.98 60.45 1x3b s VAL 45 Cb -0.12 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1x3b s VAL 45 CO 0.23 -0.28 -0.07 -0.36 0.00 0.00 0.00 175.10 174.62 1x3b s PHE 46 N -2.11 1.63 -0.29 5.22 0.40 -1.08 -1.96 117.98 119.80 1x3b s PHE 46 Ca 0.29 -0.92 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1x3b s PHE 46 Cb -0.07 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 1x3b s PHE 46 CO 0.18 -0.57 0.14 0.00 0.70 0.00 0.00 175.22 175.67 1x3b s ALA 47 N 1.66 3.29 1.12 5.36 0.00 -1.22 -4.83 121.76 127.14 1x3b s ALA 47 Ca 0.03 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 1x3b s ALA 47 Cb -0.14 -2.32 0.26 0.00 0.00 0.00 0.00 23.12 20.93 1x3b s ALA 47 CO -0.08 -0.71 1.20 -0.35 0.00 0.00 0.00 175.76 175.81 1x3b n PRO 48 N 4.98 -2.19 -0.26 0.00 -0.04 -1.26 -0.28 135.00 135.95 1x3b n PRO 48 Ca -0.15 -1.88 -0.04 0.00 -0.04 0.00 0.00 63.50 61.39 1x3b n PRO 48 Cb 0.50 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.32 0.00 -0.02 0.52 -2.24 -0.98 -4.74 114.28 102.50 1x3b n THR 49 Ca 0.16 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1x3b n THR 49 Cb 0.58 -1.81 -0.14 0.00 -2.10 0.00 0.00 70.33 66.86 1x3b n THR 49 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1x3b h ASN 50 N -0.38 0.20 0.45 3.42 -1.24 -1.94 -3.22 115.58 112.86 1x3b h ASN 50 Ca -0.06 -0.98 0.00 0.00 0.71 0.00 0.00 56.30 55.97 1x3b h ASN 50 Cb 0.17 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1x3b h ASN 50 CO 0.04 1.17 0.00 -0.62 -1.29 0.00 0.00 177.43 176.74 1x3b n GLU 51 N -4.40 0.10 0.01 6.67 1.02 -1.26 -2.46 120.64 120.32 1x3b n GLU 51 Ca -0.12 0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1x3b n GLU 51 Cb 0.63 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 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 2.26 0.04 -0.22 0.62 0.00 -1.90 -1.21 119.26 118.85 1x3b h ALA 52 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1x3b h ALA 52 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1x3b h ALA 52 CO 0.00 -0.39 -0.12 0.74 0.00 0.00 0.00 179.25 179.48 1x3b h PHE 53 N -0.09 0.53 -0.26 0.00 -1.00 -1.62 -2.73 116.94 111.77 1x3b h PHE 53 Ca 0.01 -0.14 0.08 0.00 2.81 0.00 0.00 57.97 60.73 1x3b h PHE 53 Cb 0.14 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1x3b h PHE 53 CO -0.03 0.75 0.28 0.00 -1.61 0.00 0.00 178.31 177.71 1x3b h ARG 54 N 0.16 0.00 -0.14 1.51 3.08 -1.46 0.48 114.38 118.01 1x3b h ARG 54 Ca 0.05 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1x3b h ARG 54 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x3b h ARG 54 CO 0.03 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.78 1x3b h ALA 55 N 1.68 0.20 -1.29 0.04 0.00 -0.90 -3.45 119.26 115.54 1x3b h ALA 55 Ca 0.12 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 1x3b h ALA 55 Cb 0.69 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.55 1x3b h ALA 55 CO -0.00 0.10 -0.35 1.28 0.00 0.00 0.00 179.25 180.28 1x3b n LEU 56 N -4.55 -0.39 -4.80 0.00 4.77 0.16 -4.92 117.00 107.26 1x3b n LEU 56 Ca -0.06 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 1x3b n LEU 56 Cb 0.37 -1.05 0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1x3b n LEU 56 CO 0.39 -2.55 0.71 -2.16 -1.33 0.00 0.00 177.39 172.45 1x3b s PRO 57 N -1.16 1.89 0.00 3.23 0.04 -1.26 -4.73 135.00 133.01 1x3b s PRO 57 Ca 0.62 0.57 0.23 0.00 0.04 0.00 0.00 61.00 62.47 1x3b s PRO 57 Cb -0.86 -1.90 1.39 0.00 0.04 0.00 0.00 34.50 33.16 1x3b s PRO 57 CO 0.57 -1.74 1.76 -0.35 0.04 0.00 0.00 177.00 177.29 1x3b n PRO 58 N -3.50 0.75 -0.06 0.56 -0.04 -1.26 0.06 135.00 131.51 1x3b n PRO 58 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1x3b n PRO 58 Cb 0.57 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.69 -0.10 0.54 5.12 -1.26 -4.03 116.66 116.64 1x3b n ARG 59 Ca 0.17 0.26 -0.24 0.00 -1.93 0.00 0.00 57.85 56.11 1x3b n ARG 59 Cb 0.08 -1.63 -0.11 0.00 -1.16 0.00 0.00 32.46 29.63 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1x3b n GLU 60 N -3.57 0.61 0.00 5.56 4.07 -1.14 -3.68 120.64 122.49 1x3b n GLU 60 Ca -0.39 0.41 -0.12 0.00 -0.06 0.00 0.00 57.16 57.00 1x3b n GLU 60 Cb 0.98 -1.65 -0.08 0.00 -0.06 0.00 0.00 31.44 30.63 1x3b n GLU 60 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1x3b h ARG 61 N -0.76 -0.45 -0.42 5.31 2.43 -0.63 0.13 114.38 119.98 1x3b h ARG 61 Ca -0.48 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1x3b h ARG 61 Cb 1.55 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 31.12 1x3b h ARG 61 CO -0.22 -0.30 -0.16 1.03 -1.51 0.00 0.00 179.97 178.81 1x3b h SER 62 N -0.47 -0.54 -0.47 -3.80 0.87 -1.70 -0.99 113.55 106.45 1x3b h SER 62 Ca 0.02 0.14 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 1x3b h SER 62 Cb 0.54 0.32 -0.10 0.00 -0.44 0.00 0.00 62.40 62.72 1x3b h SER 62 CO -0.33 -0.19 -0.35 0.03 -0.53 0.00 0.00 176.83 175.46 1x3b h ARG 63 N -0.06 -0.23 0.18 2.24 -0.00 -1.40 1.62 114.38 116.73 1x3b h ARG 63 Ca 0.21 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.71 1x3b h ARG 63 Cb 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.36 1x3b h ARG 63 CO -0.47 -0.15 -0.52 -0.07 0.00 0.00 0.00 179.97 178.76 1x3b h LEU 64 N -0.23 -1.53 -2.05 3.04 3.38 0.34 0.69 115.31 118.95 1x3b h LEU 64 Ca 0.19 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1x3b h LEU 64 Cb 0.55 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x3b h LEU 64 CO -0.60 -0.57 0.00 -0.07 0.09 0.00 0.00 178.44 177.29 1x3b h LEU 65 N -0.79 0.00 0.00 1.67 3.38 -0.19 -3.34 115.31 116.04 1x3b h LEU 65 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x3b h LEU 65 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x3b h LEU 65 CO -0.25 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1x3b n GLY 66 N -1.14 1.00 3.68 0.83 0.00 0.54 -4.89 105.19 105.21 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 6.46 0.09 1.61 1.11 0.19 -4.87 116.67 120.26 1x3b s ASP 67 Ca 0.00 2.67 -0.16 0.00 0.18 0.00 0.00 52.55 55.24 1x3b s ASP 67 Cb 0.00 -2.55 -0.08 0.00 1.07 0.00 0.00 42.92 41.36 1x3b s ASP 67 CO 0.00 -1.01 1.45 0.00 1.18 0.00 0.00 175.17 176.79 1x3b h ALA 68 N 9.46 0.41 -0.18 5.23 0.00 -1.84 -2.11 119.26 130.24 1x3b h ALA 68 Ca -0.47 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.12 1x3b h ALA 68 Cb 1.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1x3b h ALA 68 CO 0.94 0.33 -0.31 0.87 0.00 0.00 0.00 179.25 181.08 1x3b h LYS 69 N 0.37 -0.25 -0.92 0.00 1.79 -1.93 0.66 116.57 116.30 1x3b h LYS 69 Ca 0.06 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.69 1x3b h LYS 69 Cb 0.71 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.34 1x3b h LYS 69 CO 0.05 -0.17 0.59 0.93 -1.08 0.00 0.00 179.45 179.77 1x3b h GLU 70 N -0.26 0.71 0.00 3.15 3.07 -1.92 0.10 114.58 119.44 1x3b h GLU 70 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1x3b h GLU 70 Cb 0.35 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1x3b h GLU 70 CO -0.31 0.47 0.00 -0.11 -1.40 0.00 0.00 179.01 177.66 1x3b n LEU 71 N -4.58 0.00 -0.36 1.33 0.00 0.41 -2.04 117.00 111.76 1x3b n LEU 71 Ca 0.18 0.98 0.27 0.00 0.00 0.00 0.00 56.01 57.44 1x3b n LEU 71 Cb 0.47 -0.48 0.53 0.00 0.00 0.00 0.00 43.42 43.94 1x3b n LEU 71 CO 0.29 -0.48 1.19 0.00 0.00 0.00 0.00 177.39 178.38 1x3b h ALA 72 N -1.95 2.26 -0.51 1.96 0.00 0.46 0.63 119.26 122.12 1x3b h ALA 72 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1x3b h ALA 72 Cb 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1x3b h ALA 72 CO 0.00 -0.80 -0.11 -0.97 0.00 0.00 0.00 179.25 177.37 1x3b h ASN 73 N 0.30 -0.45 0.16 0.00 -0.73 -0.42 1.50 115.58 115.94 1x3b h ASN 73 Ca 0.70 0.15 -0.01 0.00 1.87 0.00 0.00 56.30 59.01 1x3b h ASN 73 Cb 1.83 0.31 0.00 0.00 0.27 0.00 0.00 38.32 40.73 1x3b h ASN 73 CO -0.43 -0.16 -0.08 0.40 -0.37 0.00 0.00 177.43 176.79 1x3b h ILE 74 N 0.01 0.94 -0.47 2.57 1.08 0.85 -2.08 117.51 120.41 1x3b h ILE 74 Ca 0.25 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1x3b h ILE 74 Cb 0.38 1.26 -0.09 0.00 -3.07 0.00 0.00 36.82 35.30 1x3b h ILE 74 CO -0.52 0.12 -0.08 -0.07 -0.69 0.00 0.00 178.15 176.91 1x3b h LEU 75 N -0.47 -0.36 -0.26 1.44 3.38 -0.32 0.16 115.31 118.88 1x3b h LEU 75 Ca -0.02 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1x3b h LEU 75 Cb 0.37 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1x3b h LEU 75 CO 0.04 -0.13 -0.30 0.11 0.09 0.00 0.00 178.44 178.25 1x3b h LYS 76 N 0.04 -0.29 0.00 1.13 1.57 0.22 0.80 116.57 120.04 1x3b h LYS 76 Ca 0.23 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1x3b h LYS 76 Cb 0.35 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1x3b h LYS 76 CO -0.46 -0.19 0.00 -0.92 -0.57 0.00 0.00 179.45 177.31 1x3b h TYR 77 N -0.30 0.00 0.00 -1.35 3.20 -0.44 0.12 116.97 118.19 1x3b h TYR 77 Ca 0.14 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1x3b h TYR 77 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1x3b h TYR 77 CO -0.46 0.00 -0.89 0.45 -1.64 0.00 0.00 178.16 175.62 1x3b h HIS 78 N 0.00 0.00 -2.94 -3.82 3.86 0.32 -3.46 115.15 109.11 1x3b h HIS 78 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1x3b h HIS 78 Cb 0.11 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 1x3b h HIS 78 CO 0.00 0.13 -0.52 0.42 0.86 0.00 0.00 177.93 178.82 1x3b s ILE 79 N -3.24 5.18 0.40 2.45 1.01 0.12 -2.64 121.20 124.48 1x3b s ILE 79 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1x3b s ILE 79 Cb 0.09 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1x3b s ILE 79 CO 0.77 0.26 0.20 -0.83 0.00 0.00 0.00 174.94 175.34 1x3b s GLY 80 N -2.11 2.24 -0.55 6.18 0.00 0.32 -3.61 107.32 109.79 1x3b s GLY 80 Ca 0.29 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1x3b s GLY 80 CO 0.21 -1.86 1.78 1.34 0.00 0.00 0.00 173.10 174.57 1x3b n ASP 81 N -1.26 6.73 0.00 1.64 2.03 -0.02 -3.36 116.55 122.31 1x3b n ASP 81 Ca -0.01 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.53 1x3b n ASP 81 Cb 0.64 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.87 0.00 -3.14 -0.67 0.28 -1.26 -4.95 120.64 110.04 1x3b n GLU 82 Ca 0.57 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.18 1x3b n GLU 82 Cb 0.78 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.60 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 5.06 -0.05 3.84 -1.09 -1.26 -3.19 121.20 122.51 1x3b s ILE 83 Ca 0.00 1.29 -0.02 0.00 -2.23 0.00 0.00 60.65 59.69 1x3b s ILE 83 Cb 0.00 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1x3b s ILE 83 CO 0.00 0.30 0.04 -0.22 -1.23 0.00 0.00 174.94 173.83 1x3b s LEU 84 N 0.58 0.29 0.31 2.97 0.20 -1.26 -5.06 118.68 116.72 1x3b s LEU 84 Ca 0.33 0.01 0.05 0.00 0.69 0.00 0.00 54.13 55.22 1x3b s LEU 84 Cb -0.17 -0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 45.31 1x3b s LEU 84 CO 0.16 -0.23 0.22 0.68 -0.29 0.00 0.00 176.35 176.88 1x3b s VAL 85 N 2.10 0.12 -0.85 1.68 -7.23 -1.26 -4.96 120.40 110.00 1x3b s VAL 85 Ca 0.05 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1x3b s VAL 85 Cb -0.12 -2.48 -0.14 0.00 0.56 0.00 0.00 36.38 34.19 1x3b s VAL 85 CO -0.04 0.00 2.93 -1.54 -0.31 0.00 0.00 175.10 176.14 1x3b n SER 86 N -1.21 6.44 -3.70 4.85 3.41 -1.26 -4.67 113.62 117.47 1x3b n SER 86 Ca 0.04 -2.44 -0.41 0.00 -0.26 0.00 0.00 58.87 55.80 1x3b n SER 86 Cb 0.64 -1.35 0.01 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 3.20 5.78 2.37 5.00 0.00 -1.26 -4.76 105.19 115.52 1x3b n GLY 87 Ca 0.56 -2.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 0.57 -0.98 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.45 1x3b n GLY 88 Ca 0.45 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.86 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 113.64 1x3b n ILE 89 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1x3b n ILE 89 Cb 0.38 -0.05 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 3.56 -0.04 1.95 7.39 0.00 -1.26 -5.01 105.19 111.78 1x3b n GLY 90 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.14 4.61 0.00 -1.26 -4.99 120.51 115.73 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 -6.18 1.05 -0.05 0.00 1.98 -1.26 -3.91 118.68 110.32 1x3b s LEU 92 Ca 0.00 -0.06 -0.02 0.00 -2.89 0.00 0.00 54.13 51.16 1x3b s LEU 92 Cb 0.00 1.13 0.03 0.00 0.66 0.00 0.00 46.19 48.00 1x3b s LEU 92 CO 0.00 -0.47 0.04 -0.69 -1.89 0.00 0.00 176.35 173.35 1x3b s VAL 93 N -1.64 0.01 -0.35 1.68 1.01 0.17 -4.96 120.40 116.31 1x3b s VAL 93 Ca -0.12 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1x3b s VAL 93 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1x3b s VAL 93 CO 0.02 0.19 0.66 -0.13 0.00 0.00 0.00 175.10 175.84 1x3b s ARG 94 N 2.02 3.70 -0.33 2.72 1.81 -1.26 -1.50 118.95 126.11 1x3b s ARG 94 Ca 0.04 0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 54.06 1x3b s ARG 94 Cb -0.12 -3.81 0.00 0.00 -0.45 0.00 0.00 34.95 30.58 1x3b s ARG 94 CO -0.03 -0.75 0.16 -1.17 -0.68 0.00 0.00 175.30 172.83 1x3b s LEU 95 N 2.76 4.25 0.13 2.53 0.20 0.12 -4.94 118.68 123.73 1x3b s LEU 95 Ca 0.26 -0.68 -0.31 0.00 0.69 0.00 0.00 54.13 54.08 1x3b s LEU 95 Cb -0.14 -1.99 -0.09 0.00 -0.43 0.00 0.00 46.19 43.53 1x3b s LEU 95 CO 0.15 -0.25 1.55 -0.75 -0.29 0.00 0.00 176.35 176.76 1x3b s LYS 96 N 1.58 4.23 0.48 1.98 2.20 -1.26 0.11 119.74 129.06 1x3b s LYS 96 Ca 0.04 2.29 0.08 0.00 -0.36 0.00 0.00 55.97 58.02 1x3b s LYS 96 Cb -0.18 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1x3b s LYS 96 CO 0.06 -0.60 0.61 -1.54 -0.36 0.00 0.00 175.35 173.52 1x3b s SER 97 N 1.42 5.36 -0.10 1.43 1.04 -1.21 -0.84 113.70 120.80 1x3b s SER 97 Ca 0.70 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 1x3b s SER 97 Cb -0.41 -0.28 -0.07 0.00 0.10 0.00 0.00 66.02 65.35 1x3b s SER 97 CO 0.31 -0.95 0.28 -0.07 0.98 0.00 0.00 173.24 173.78 1x3b h LEU 98 N 0.54 -0.06 -1.78 2.42 3.38 -1.68 -3.27 115.31 114.86 1x3b h LEU 98 Ca -0.37 -0.22 0.54 0.00 0.09 0.00 0.00 57.88 57.92 1x3b h LEU 98 Cb 1.28 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 1x3b h LEU 98 CO 0.46 0.54 1.25 1.67 0.09 0.00 0.00 178.44 182.45 1x3b n GLN 99 N -4.79 -0.01 0.00 1.13 -0.06 -1.26 -4.73 117.38 107.66 1x3b n GLN 99 Ca -0.03 1.11 0.00 0.00 -2.00 0.00 0.00 57.00 56.08 1x3b n GLN 99 Cb 0.13 -2.45 0.00 0.00 -4.06 0.00 0.00 30.24 23.87 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 -1.79 3.71 3.74 1.69 0.00 -1.23 -5.01 105.19 106.29 1x3b n GLY 100 Ca 0.43 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 6.62 0.13 1.61 1.01 -1.26 -4.57 116.67 120.22 1x3b s ASP 101 Ca 0.00 2.65 -0.30 0.00 0.71 0.00 0.00 52.55 55.61 1x3b s ASP 101 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1x3b s ASP 101 CO 0.00 -0.75 0.99 -0.54 0.21 0.00 0.00 175.17 175.08 1x3b s LYS 102 N 0.16 4.68 -0.03 8.23 3.01 -1.26 -3.28 119.74 131.25 1x3b s LYS 102 Ca 0.63 1.52 -0.21 0.00 -1.01 0.00 0.00 55.97 56.90 1x3b s LYS 102 Cb -0.43 -3.35 -0.05 0.00 -1.01 0.00 0.00 37.83 33.00 1x3b s LYS 102 CO 0.39 0.20 0.61 -0.51 0.51 0.00 0.00 175.35 176.55 1x3b s LEU 103 N -0.16 4.38 -0.16 3.17 1.43 0.30 -4.89 118.68 122.76 1x3b s LEU 103 Ca 0.47 1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 1x3b s LEU 103 Cb -0.25 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1x3b s LEU 103 CO 0.31 0.04 0.26 -0.70 0.23 0.00 0.00 176.35 176.49 1x3b s GLU 104 N 0.10 4.21 -0.08 1.70 2.12 -1.26 0.11 118.70 125.60 1x3b s GLU 104 Ca 0.32 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 1x3b s GLU 104 Cb -0.18 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.84 1x3b s GLU 104 CO 0.17 0.28 0.17 0.08 -0.54 0.00 0.00 175.26 175.41 1x3b s VAL 105 N 0.37 -0.15 0.40 3.70 1.01 -0.56 -1.31 120.40 123.86 1x3b s VAL 105 Ca 0.15 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 105 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1x3b s VAL 105 CO 0.03 0.10 0.15 -0.94 0.00 0.00 0.00 175.10 174.44 1x3b s SER 106 N 1.65 2.68 -0.22 3.32 1.04 -1.22 0.42 113.70 121.38 1x3b s SER 106 Ca -0.04 -1.70 -0.02 0.00 0.48 0.00 0.00 55.95 54.67 1x3b s SER 106 Cb -0.12 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1x3b s SER 106 CO -0.06 -0.96 0.05 -0.22 0.98 0.00 0.00 173.24 173.02 1x3b s LEU 107 N -3.58 1.35 -0.01 2.42 2.96 -1.25 -3.32 118.68 117.23 1x3b s LEU 107 Ca 0.25 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1x3b s LEU 107 Cb 0.02 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 46.07 1x3b s LEU 107 CO 0.16 -0.33 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.27 1x3b s LYS 108 N 1.82 0.58 -1.73 1.98 1.02 -0.78 -4.73 119.74 117.89 1x3b s LYS 108 Ca 0.01 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1x3b s LYS 108 Cb -0.17 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1x3b s LYS 108 CO -0.12 0.08 0.00 0.09 -0.92 0.00 0.00 175.35 174.48 1x3b n ASN 109 N 3.21 -5.52 -0.46 2.83 3.02 -1.26 0.52 115.26 117.61 1x3b n ASN 109 Ca -0.16 0.40 -0.05 0.00 -0.03 0.00 0.00 54.58 54.74 1x3b n ASN 109 Cb 0.56 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.33 -4.43 6.41 2.85 -1.26 -5.02 115.26 109.23 1x3b n ASN 110 Ca -0.16 0.10 -0.32 0.00 -0.11 0.00 0.00 54.58 54.09 1x3b n ASN 110 Cb 0.64 -1.62 -0.14 0.00 1.24 0.00 0.00 39.78 39.89 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x3b s VAL 111 N -2.22 2.74 -0.14 3.44 1.01 0.18 -5.12 120.40 120.30 1x3b s VAL 111 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1x3b s VAL 111 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1x3b s VAL 111 CO 0.00 0.56 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 1x3b s VAL 112 N -0.71 5.42 0.11 2.92 1.01 -1.26 -1.86 120.40 126.02 1x3b s VAL 112 Ca 0.11 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1x3b s VAL 112 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1x3b s VAL 112 CO 0.00 0.54 -0.15 -0.44 0.00 0.00 0.00 175.10 175.06 1x3b s SER 113 N -0.47 1.94 -0.18 3.32 0.01 -1.21 -2.50 113.70 114.61 1x3b s SER 113 Ca 0.14 -0.75 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 1x3b s SER 113 Cb -0.12 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.10 1x3b s SER 113 CO 0.03 -0.11 0.03 0.54 0.41 0.00 0.00 173.24 174.14 1x3b s VAL 114 N -1.82 0.49 -0.99 3.43 0.11 0.17 -3.39 120.40 118.40 1x3b s VAL 114 Ca 0.05 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1x3b s VAL 114 Cb -0.07 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1x3b s VAL 114 CO 0.03 -0.18 0.05 0.59 -3.33 0.00 0.00 175.10 172.26 1x3b n ASN 115 N 5.07 -3.84 -0.67 3.54 3.02 -0.43 -1.95 115.26 120.00 1x3b n ASN 115 Ca -0.09 -0.03 -0.06 0.00 -0.03 0.00 0.00 54.58 54.37 1x3b n ASN 115 Cb 0.47 -3.01 -0.01 0.00 -0.61 0.00 0.00 39.78 36.62 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 -2.20 -0.49 -4.99 3.52 5.02 -1.26 -5.03 118.16 112.72 1x3b n LYS 116 Ca -0.13 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 1x3b n LYS 116 Cb 0.60 -4.22 -0.15 0.00 -0.02 0.00 0.00 35.03 31.25 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 -3.95 1.99 0.18 1.97 2.02 -0.82 -5.11 118.70 114.97 1x3b s GLU 117 Ca 0.00 -1.01 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 1x3b s GLU 117 Cb 0.00 -2.06 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 1x3b s GLU 117 CO 0.00 0.54 1.12 -1.25 0.02 0.00 0.00 175.26 175.69 1x3b s PRO 118 N -1.04 4.57 0.25 0.39 0.04 -1.26 -0.65 135.00 137.29 1x3b s PRO 118 Ca 0.12 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 1x3b s PRO 118 Cb -0.10 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1x3b s PRO 118 CO 0.01 0.04 0.55 0.08 0.04 0.00 0.00 177.00 177.72 1x3b s VAL 119 N -0.17 4.97 -0.00 -0.36 1.01 -1.04 -2.91 120.40 121.90 1x3b s VAL 119 Ca 0.50 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 1x3b s VAL 119 Cb -0.30 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1x3b s VAL 119 CO 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 175.10 175.30 1x3b h ALA 120 N 2.26 0.00 -2.23 5.51 0.00 0.31 -3.44 119.26 121.66 1x3b h ALA 120 Ca -0.47 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 1x3b h ALA 120 Cb 1.18 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.62 1x3b h ALA 120 CO 0.68 0.00 -0.80 -1.21 0.00 0.00 0.00 179.25 177.92 1x3b s GLU 121 N -1.00 0.67 1.07 0.00 0.41 -0.86 -4.99 118.70 114.00 1x3b s GLU 121 Ca -0.00 -1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 53.09 1x3b s GLU 121 Cb 0.00 -1.05 0.24 0.00 -1.78 0.00 0.00 34.13 31.54 1x3b s GLU 121 CO 0.00 -1.25 1.22 -1.25 -0.49 0.00 0.00 175.26 173.49 1x3b s PRO 122 N 0.99 -0.22 -0.34 0.39 0.04 -1.26 -3.10 135.00 131.51 1x3b s PRO 122 Ca 0.21 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.01 1x3b s PRO 122 Cb -0.14 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1x3b s PRO 122 CO -0.04 -3.02 0.29 -3.47 0.04 0.00 0.00 177.00 170.80 1x3b n ASP 123 N -4.23 -3.01 -4.16 6.66 -0.08 -1.23 -4.92 116.55 105.58 1x3b n ASP 123 Ca 0.14 -0.21 -0.39 0.00 -1.51 0.00 0.00 54.79 52.82 1x3b n ASP 123 Cb 0.59 -1.95 -0.08 0.00 2.34 0.00 0.00 41.12 42.02 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 -3.12 4.11 0.19 5.18 1.01 -0.12 -4.97 121.20 123.48 1x3b s ILE 124 Ca 0.10 -2.61 -0.31 0.00 0.00 0.00 0.00 60.65 57.84 1x3b s ILE 124 Cb -0.01 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 1x3b s ILE 124 CO 0.23 -0.87 1.42 -0.04 0.00 0.00 0.00 174.94 175.67 1x3b s MET 125 N 0.31 4.30 0.00 2.79 -1.94 -1.26 -0.32 119.30 123.18 1x3b s MET 125 Ca 0.15 2.20 0.00 0.00 -1.71 0.00 0.00 55.69 56.32 1x3b s MET 125 Cb -0.20 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1x3b s MET 125 CO -0.04 -0.41 0.00 0.00 -0.01 0.00 0.00 175.02 174.56 1x3b n ALA 126 N 3.02 0.00 1.10 3.03 0.00 -0.23 -4.93 120.51 122.50 1x3b n ALA 126 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1x3b n ALA 126 Cb 0.41 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.19 1x3b n ALA 126 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3b n THR 127 N -0.28 0.15 -2.65 0.00 5.66 -1.05 -4.41 114.28 111.69 1x3b n THR 127 Ca 0.00 -0.42 -0.04 0.00 -3.05 0.00 0.00 64.05 60.54 1x3b n THR 127 Cb 0.00 0.78 -0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x3b n ASN 128 N 0.72 -1.14 0.00 1.09 6.94 -1.26 -4.94 115.26 116.67 1x3b n ASN 128 Ca 0.17 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1x3b n ASN 128 Cb 0.45 0.94 0.00 0.00 -2.36 0.00 0.00 39.78 38.81 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 -0.51 0.23 3.30 4.83 0.00 -1.26 -3.85 105.19 107.94 1x3b n GLY 129 Ca -0.24 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.10 0.00 0.02 1.61 0.11 -1.25 -1.07 120.40 116.72 1x3b s VAL 130 Ca 0.00 -1.85 -0.11 0.00 -2.93 0.00 0.00 61.98 57.09 1x3b s VAL 130 Cb 0.00 -2.43 0.01 0.00 -1.53 0.00 0.00 36.38 32.43 1x3b s VAL 130 CO 0.00 0.00 0.24 -0.69 -3.33 0.00 0.00 175.10 171.32 1x3b s VAL 131 N -4.08 0.09 -0.27 2.04 1.01 0.56 -3.44 120.40 116.30 1x3b s VAL 131 Ca 0.35 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1x3b s VAL 131 Cb 0.05 -0.76 0.09 0.00 0.00 0.00 0.00 36.38 35.76 1x3b s VAL 131 CO 0.12 -0.39 0.11 -1.00 0.00 0.00 0.00 175.10 173.94 1x3b s HIS 132 N -2.05 0.52 0.16 5.22 3.76 -0.83 -0.94 115.29 121.13 1x3b s HIS 132 Ca -0.09 -0.91 -0.31 0.00 -0.15 0.00 0.00 55.06 53.60 1x3b s HIS 132 Cb -0.03 -0.98 -0.11 0.00 1.11 0.00 0.00 32.58 32.56 1x3b s HIS 132 CO -0.01 -0.78 1.80 0.28 -0.85 0.00 0.00 174.74 175.19 1x3b n VAL 133 N 5.19 0.24 -3.70 -0.90 0.31 -1.18 -3.46 118.33 114.83 1x3b n VAL 133 Ca -0.06 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 1x3b n VAL 133 Cb 0.43 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 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 2.18 3.51 -0.31 2.52 -4.36 0.61 0.25 121.20 125.59 1x3b s ILE 134 Ca 0.79 -1.29 0.08 0.00 -0.26 0.00 0.00 60.65 59.98 1x3b s ILE 134 Cb -0.48 -3.20 0.53 0.00 1.25 0.00 0.00 42.46 40.56 1x3b s ILE 134 CO 0.35 -0.15 1.53 0.35 0.24 0.00 0.00 174.94 177.26 1x3b n THR 135 N -1.46 2.64 0.00 8.37 -2.24 -1.15 -2.32 114.28 118.13 1x3b n THR 135 Ca -0.01 -2.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 1x3b n THR 135 Cb 0.60 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -1.11 0.00 -4.70 3.42 3.02 -1.26 -4.79 115.26 109.84 1x3b n ASN 136 Ca 0.37 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 1x3b n ASN 136 Cb 1.12 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.26 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 -1.76 4.08 0.71 2.41 1.01 -1.26 -4.69 120.40 120.90 1x3b s VAL 137 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1x3b s VAL 137 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1x3b s VAL 137 CO 0.00 0.06 1.07 -0.76 0.00 0.00 0.00 175.10 175.47 1x3b s LEU 138 N 1.64 3.00 0.02 3.92 1.43 -1.26 -5.08 118.68 122.35 1x3b s LEU 138 Ca 0.58 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 55.17 1x3b s LEU 138 Cb -0.28 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1x3b s LEU 138 CO 0.26 -1.51 0.01 -1.10 0.23 0.00 0.00 176.35 174.24 1x3b s GLN 139 N -5.10 0.36 0.36 1.70 -0.21 -1.26 -5.06 119.66 110.46 1x3b s GLN 139 Ca 0.58 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 55.12 1x3b s GLN 139 Cb -0.14 0.14 -0.09 0.00 1.00 0.00 0.00 33.01 33.92 1x3b s GLN 139 CO 0.55 -0.07 1.06 -1.25 -2.12 0.00 0.00 175.29 173.46 1x3b s PRO 140 N -1.54 4.30 0.39 2.91 0.04 -1.26 -4.85 135.00 134.99 1x3b s PRO 140 Ca -0.15 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1x3b s PRO 140 Cb -0.09 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1x3b s PRO 140 CO -0.01 -0.04 0.00 0.45 0.04 0.00 0.00 177.00 177.44 1x3b n SER 141 N 0.30 -8.44 -4.32 6.66 2.88 -1.26 -4.79 113.62 104.66 1x3b n SER 141 Ca 0.03 1.49 -0.35 0.00 -1.33 0.00 0.00 58.87 58.71 1x3b n SER 141 Cb 0.48 -4.20 0.08 0.00 -0.75 0.00 0.00 64.21 59.82 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 142 N -4.07 -2.60 3.77 0.46 0.00 -1.26 -4.97 105.19 96.52 1x3b n GLY 142 Ca 0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.77 0.12 0.48 1.61 0.04 -1.26 -5.00 135.00 128.22 1x3b s PRO 143 Ca 0.55 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1x3b s PRO 143 Cb -0.27 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1x3b s PRO 143 CO 0.68 -2.81 0.00 0.43 0.04 0.00 0.00 177.00 175.34 1x3b n SER 144 N -4.12 -4.21 -4.66 6.66 7.64 -1.26 -5.11 113.62 108.57 1x3b n SER 144 Ca 0.12 0.93 -0.47 0.00 1.01 0.00 0.00 58.87 60.46 1x3b n SER 144 Cb 0.59 3.90 -0.05 0.00 -1.01 0.00 0.00 64.21 67.65 1x3b n SER 144 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x3b n SER 145 N -3.49 2.87 0.00 6.43 3.41 -1.26 -5.29 113.62 116.29 1x3b n SER 145 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1x3b n SER 145 Cb 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49