#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 4.14 0.21 1.61 1.04 -1.26 -4.75 113.70 114.69 1x3b s SER 2 Ca 0.00 -1.01 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 1x3b s SER 2 Cb 0.00 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 1x3b s SER 2 CO 0.00 -0.13 0.31 -0.44 0.98 0.00 0.00 173.24 173.97 1x3b s SER 3 N 1.24 0.02 -0.79 7.02 0.01 -1.26 -4.93 113.70 115.02 1x3b s SER 3 Ca -0.02 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.19 1x3b s SER 3 Cb -0.17 0.48 0.19 0.00 0.21 0.00 0.00 66.02 66.73 1x3b s SER 3 CO -0.06 -0.98 0.63 -0.83 0.41 0.00 0.00 173.24 172.40 1x3b s GLY 4 N -3.05 2.97 0.20 3.44 0.00 -1.26 -4.60 107.32 105.03 1x3b s GLY 4 Ca 0.26 -3.79 -0.23 0.00 0.00 0.00 0.00 44.72 40.96 1x3b s GLY 4 CO 0.07 1.14 0.85 -0.56 0.00 0.00 0.00 173.10 174.60 1x3b s SER 5 N -0.64 -0.23 0.00 1.64 0.01 -1.26 -5.04 113.70 108.19 1x3b s SER 5 Ca 0.25 -0.47 -0.39 0.00 1.31 0.00 0.00 55.95 56.65 1x3b s SER 5 Cb -0.08 0.59 -0.19 0.00 0.21 0.00 0.00 66.02 66.55 1x3b s SER 5 CO -0.13 -1.08 1.18 -1.54 0.41 0.00 0.00 173.24 172.07 1x3b n SER 6 N -0.46 0.54 0.00 2.44 3.41 -1.26 -3.21 113.62 115.09 1x3b n SER 6 Ca -0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1x3b n SER 6 Cb 0.60 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1x3b n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 7 N 1.92 1.62 0.00 5.00 0.00 -1.26 -4.54 105.19 107.93 1x3b n GLY 7 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -2.91 1.61 0.00 -1.20 -5.07 117.12 109.56 1x3b n MET 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1x3b n MET 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1x3b n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x3b n GLY 9 N 0.00 0.00 3.65 -5.12 0.00 -1.26 -4.36 105.19 98.10 1x3b n GLY 9 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.77 2.29 0.24 2.61 -4.23 -1.26 -4.10 115.64 110.41 1x3b s THR 10 Ca 0.00 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 1x3b s THR 10 Cb 0.00 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.69 1x3b s THR 10 CO 0.00 -0.12 1.57 1.62 -0.54 0.00 0.00 174.62 177.15 1x3b h VAL 11 N -1.94 0.07 0.61 2.29 3.04 -1.90 1.37 116.25 119.78 1x3b h VAL 11 Ca -0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1x3b h VAL 11 Cb 1.31 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1x3b h VAL 11 CO 0.53 0.00 -0.29 0.24 -1.01 0.00 0.00 177.57 177.04 1x3b h MET 12 N -0.03 -0.78 -0.73 4.17 2.86 -1.90 -3.05 114.93 115.47 1x3b h MET 12 Ca 0.36 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 58.22 1x3b h MET 12 Cb 0.62 0.18 -0.12 0.00 0.06 0.00 0.00 31.60 32.33 1x3b h MET 12 CO -0.91 -0.47 0.06 -0.44 1.06 0.00 0.00 176.91 176.21 1x3b h ASP 13 N -1.01 -0.23 -1.22 1.22 5.19 -1.42 0.81 116.42 119.77 1x3b h ASP 13 Ca -0.08 0.18 0.39 0.00 -0.62 0.00 0.00 57.03 56.89 1x3b h ASP 13 Cb 0.67 0.29 -0.13 0.00 0.18 0.00 0.00 39.33 40.35 1x3b h ASP 13 CO 0.14 -0.13 0.77 0.58 -3.12 0.00 0.00 179.24 177.47 1x3b h VAL 14 N 0.15 0.21 -0.08 -1.35 2.07 0.19 1.81 116.25 119.24 1x3b h VAL 14 Ca 0.40 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.67 1x3b h VAL 14 Cb 0.70 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1x3b h VAL 14 CO -0.60 0.03 -0.73 -0.07 0.02 0.00 0.00 177.57 176.22 1x3b h LEU 15 N 0.16 0.78 -0.54 2.57 3.38 0.66 -2.95 115.31 119.37 1x3b h LEU 15 Ca 0.77 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x3b h LEU 15 Cb 2.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 1x3b h LEU 15 CO -0.43 1.34 0.30 0.11 0.09 0.00 0.00 178.44 179.85 1x3b h LYS 16 N 0.28 0.74 0.22 1.13 1.57 0.30 -3.06 116.57 117.75 1x3b h LYS 16 Ca -0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1x3b h LYS 16 Cb 1.39 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1x3b h LYS 16 CO 0.15 0.57 -0.51 0.78 -0.57 0.00 0.00 179.45 179.87 1x3b h GLY 17 N 0.72 -1.19 -4.66 3.86 0.00 0.57 -3.40 103.07 98.97 1x3b h GLY 17 Ca 0.19 0.63 -0.53 0.00 0.00 0.00 0.00 47.33 47.61 1x3b h GLY 17 CO -0.03 -0.30 0.77 0.99 0.00 0.00 0.00 176.54 177.97 1x3b s ASP 18 N -4.48 6.82 0.13 0.19 1.01 -1.12 -4.91 116.67 114.31 1x3b s ASP 18 Ca -0.16 2.27 -0.09 0.00 0.71 0.00 0.00 52.55 55.28 1x3b s ASP 18 Cb 0.05 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 1x3b s ASP 18 CO 0.58 -0.68 1.37 0.78 0.21 0.00 0.00 175.17 177.43 1x3b h ASN 19 N 7.20 0.84 -0.90 0.27 4.21 -1.80 -3.16 115.58 122.23 1x3b h ASN 19 Ca -0.41 -0.52 0.35 0.00 1.21 0.00 0.00 56.30 56.93 1x3b h ASN 19 Cb 1.20 -0.25 -0.16 0.00 -1.12 0.00 0.00 38.32 37.99 1x3b h ASN 19 CO 0.88 1.30 0.37 0.54 -1.29 0.00 0.00 177.43 179.24 1x3b n ARG 20 N -3.93 -0.06 -2.16 0.81 1.74 -1.26 0.16 116.66 111.95 1x3b n ARG 20 Ca -0.06 1.27 -0.32 0.00 -0.77 0.00 0.00 57.85 57.98 1x3b n ARG 20 Cb 0.70 -2.22 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 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 -5.11 3.19 0.03 -1.55 3.72 -1.20 -4.13 117.46 112.40 1x3b n PHE 21 Ca 0.31 -2.75 -0.10 0.00 -0.05 0.00 0.00 57.45 54.87 1x3b n PHE 21 Cb 1.05 -0.60 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 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 2.66 0.07 0.15 4.37 4.64 0.14 -3.24 113.55 122.34 1x3b h SER 22 Ca 0.42 -0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.43 1x3b h SER 22 Cb 0.64 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1x3b h SER 22 CO 1.11 1.09 -0.83 0.24 -0.87 0.00 0.00 176.83 177.57 1x3b h MET 23 N 0.01 0.53 0.16 4.77 2.86 -1.82 -3.19 114.93 118.25 1x3b h MET 23 Ca -0.17 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 56.99 1x3b h MET 23 Cb 1.92 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.69 1x3b h MET 23 CO 0.11 1.11 -0.10 1.25 1.06 0.00 0.00 176.91 180.35 1x3b h LEU 24 N 0.34 -0.24 -0.66 1.22 5.85 -1.90 -2.59 115.31 117.32 1x3b h LEU 24 Ca -0.06 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1x3b h LEU 24 Cb 1.44 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.42 1x3b h LEU 24 CO 0.15 -0.16 -0.28 0.58 -0.34 0.00 0.00 178.44 178.39 1x3b h VAL 25 N -0.25 0.20 -0.92 1.05 2.07 -1.60 0.69 116.25 117.49 1x3b h VAL 25 Ca -0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.77 1x3b h VAL 25 Cb 0.21 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 30.02 1x3b h VAL 25 CO 0.01 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.83 1x3b h ALA 26 N 1.30 1.36 -0.45 1.67 0.00 -1.45 1.77 119.26 123.46 1x3b h ALA 26 Ca 0.28 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1x3b h ALA 26 Cb 0.55 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1x3b h ALA 26 CO -0.72 -0.55 0.20 0.00 0.00 0.00 0.00 179.25 178.18 1x3b h ALA 27 N 1.85 0.58 -0.15 0.00 0.00 0.49 0.33 119.26 122.37 1x3b h ALA 27 Ca 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1x3b h ALA 27 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x3b h ALA 27 CO -0.73 0.16 0.03 0.82 0.00 0.00 0.00 179.25 179.52 1x3b h ILE 28 N 0.58 1.22 -0.37 0.00 2.04 0.25 0.51 117.51 121.73 1x3b h ILE 28 Ca 0.15 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1x3b h ILE 28 Cb 0.15 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1x3b h ILE 28 CO -0.02 0.21 0.15 -0.61 0.00 0.00 0.00 178.15 177.88 1x3b h GLN 29 N 0.03 0.30 -0.38 2.37 -0.00 0.23 0.48 115.11 118.15 1x3b h GLN 29 Ca 0.05 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.62 1x3b h GLN 29 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1x3b h GLN 29 CO 0.00 0.20 0.01 1.03 0.00 0.00 0.00 178.83 180.08 1x3b h SER 30 N 0.31 0.65 0.09 -0.69 0.87 -0.20 -2.35 113.55 112.24 1x3b h SER 30 Ca 0.17 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1x3b h SER 30 Cb 0.12 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1x3b h SER 30 CO -0.15 0.79 -0.09 0.00 -0.53 0.00 0.00 176.83 176.85 1x3b h ALA 31 N 0.88 1.81 -0.74 6.23 0.00 0.58 -3.46 119.26 124.56 1x3b h ALA 31 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x3b h ALA 31 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x3b h ALA 31 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1x3b n GLY 32 N -1.26 0.85 0.06 0.00 0.00 0.16 -4.90 105.19 100.10 1x3b n GLY 32 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.37 0.00 -0.33 0.99 4.77 -0.67 -4.36 117.00 117.03 1x3b n LEU 33 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1x3b n LEU 33 Cb 0.47 0.28 0.38 0.00 -2.33 0.00 0.00 43.42 42.23 1x3b n LEU 33 CO 0.00 0.28 1.10 0.74 -1.33 0.00 0.00 177.39 178.18 1x3b h THR 34 N 0.00 0.43 0.27 -5.08 2.02 -1.89 0.13 112.91 108.79 1x3b h THR 34 Ca -0.31 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1x3b h THR 34 Cb 1.68 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1x3b h THR 34 CO 0.02 0.08 -0.21 -0.33 0.37 0.00 0.00 175.52 175.44 1x3b h GLU 35 N 0.42 -0.47 -0.69 6.66 4.39 -1.92 0.57 114.58 123.54 1x3b h GLU 35 Ca 0.64 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.48 1x3b h GLU 35 Cb 1.31 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.99 1x3b h GLU 35 CO -0.55 -0.31 0.29 1.15 -1.16 0.00 0.00 179.01 178.43 1x3b h THR 36 N -0.49 0.76 0.00 1.13 2.02 -1.05 0.86 112.91 116.14 1x3b h THR 36 Ca -0.02 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1x3b h THR 36 Cb 0.43 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1x3b h THR 36 CO -0.01 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.15 1x3b n LEU 37 N -4.95 0.00 0.08 2.58 4.77 -0.36 -2.71 117.00 116.41 1x3b n LEU 37 Ca 0.11 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1x3b n LEU 37 Cb 0.32 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1x3b n LEU 37 CO 0.22 -0.03 -0.10 -1.13 -1.33 0.00 0.00 177.39 175.01 1x3b h ASN 38 N 0.00 0.30 -3.67 -1.43 -0.73 0.62 -3.42 115.58 107.25 1x3b h ASN 38 Ca 0.00 -0.35 -0.50 0.00 1.87 0.00 0.00 56.30 57.32 1x3b h ASN 38 Cb 0.27 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 1x3b h ASN 38 CO 0.00 1.28 0.32 -0.13 -0.37 0.00 0.00 177.43 178.53 1x3b s ARG 39 N -2.66 4.77 1.00 6.67 0.52 -0.69 -5.01 118.95 123.55 1x3b s ARG 39 Ca -0.04 1.41 -0.16 0.00 -0.52 0.00 0.00 55.73 56.42 1x3b s ARG 39 Cb 0.08 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 1x3b s ARG 39 CO 0.86 0.46 -0.24 -0.85 0.02 0.00 0.00 175.30 175.55 1x3b n GLU 40 N 1.79 -0.36 0.00 3.54 0.28 -1.26 -4.80 120.64 119.83 1x3b n GLU 40 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1x3b n GLU 40 Cb 0.48 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x3b n GLY 41 N 2.42 0.52 3.42 -1.84 0.00 -1.26 -5.06 105.19 103.40 1x3b n GLY 41 Ca 0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.94 -0.01 -0.27 1.61 -7.23 -1.22 -4.07 120.40 107.26 1x3b s VAL 42 Ca 0.00 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1x3b s VAL 42 Cb 0.00 -0.77 0.13 0.00 0.56 0.00 0.00 36.38 36.31 1x3b s VAL 42 CO 0.00 0.02 0.54 -0.31 -0.31 0.00 0.00 175.10 175.04 1x3b s TYR 43 N 1.42 -1.19 -0.38 2.82 2.02 -1.26 -3.99 117.35 116.79 1x3b s TYR 43 Ca -0.09 1.76 -0.23 0.00 -0.37 0.00 0.00 57.07 58.14 1x3b s TYR 43 Cb -0.07 0.51 0.01 0.00 -0.40 0.00 0.00 41.96 42.01 1x3b s TYR 43 CO -0.15 -0.68 0.79 0.99 -1.57 0.00 0.00 175.55 174.93 1x3b s THR 44 N 2.76 4.71 0.22 -0.71 2.01 -1.18 -3.84 115.64 119.62 1x3b s THR 44 Ca 0.04 0.82 0.10 0.00 0.31 0.00 0.00 61.69 62.97 1x3b s THR 44 Cb -0.13 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1x3b s THR 44 CO -0.17 -0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.44 1x3b s VAL 45 N 3.15 2.85 -0.17 3.82 1.01 -1.22 0.24 120.40 130.08 1x3b s VAL 45 Ca 0.31 -1.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 1x3b s VAL 45 Cb -0.13 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1x3b s VAL 45 CO 0.18 -0.22 -0.05 -0.36 0.00 0.00 0.00 175.10 174.65 1x3b s PHE 46 N -1.98 1.67 -0.28 5.22 0.08 -1.13 -1.89 117.98 119.67 1x3b s PHE 46 Ca 0.26 -1.07 -0.08 0.00 0.12 0.00 0.00 56.93 56.16 1x3b s PHE 46 Cb -0.07 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1x3b s PHE 46 CO 0.14 -0.61 0.10 0.00 -0.10 0.00 0.00 175.22 174.75 1x3b s ALA 47 N 1.64 3.15 1.05 5.36 0.00 -1.24 -4.82 121.76 126.92 1x3b s ALA 47 Ca 0.01 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 1x3b s ALA 47 Cb -0.15 -2.18 0.23 0.00 0.00 0.00 0.00 23.12 21.01 1x3b s ALA 47 CO -0.08 -0.76 1.20 -1.25 0.00 0.00 0.00 175.76 174.88 1x3b s PRO 48 N 1.57 -0.05 0.91 0.00 0.04 -1.26 -0.65 135.00 135.57 1x3b s PRO 48 Ca 0.05 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 60.79 1x3b s PRO 48 Cb -0.16 -1.74 0.17 0.00 0.04 0.00 0.00 34.50 32.81 1x3b s PRO 48 CO 0.04 -2.91 1.26 0.95 0.04 0.00 0.00 177.00 176.38 1x3b s THR 49 N -3.42 2.02 0.11 1.26 -4.23 -0.81 -4.74 115.64 105.83 1x3b s THR 49 Ca 0.71 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 1x3b s THR 49 Cb -0.08 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 1x3b s THR 49 CO 0.54 0.00 1.44 -1.13 -0.54 0.00 0.00 174.62 174.93 1x3b h ASN 50 N -1.43 0.83 0.44 3.99 -0.73 -1.94 -2.40 115.58 114.34 1x3b h ASN 50 Ca -0.44 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 57.26 1x3b h ASN 50 Cb 1.25 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1x3b h ASN 50 CO 0.43 1.13 0.00 -0.62 -0.37 0.00 0.00 177.43 177.99 1x3b n GLU 51 N -4.20 0.13 0.16 6.67 1.02 -1.26 -2.26 120.64 120.90 1x3b n GLU 51 Ca -0.03 0.45 -0.11 0.00 -0.02 0.00 0.00 57.16 57.45 1x3b n GLU 51 Cb 0.49 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 2.22 -0.48 -0.21 0.62 0.00 -1.68 -2.50 119.26 117.23 1x3b h ALA 52 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1x3b h ALA 52 Cb 0.22 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x3b h ALA 52 CO 0.00 -0.51 -0.03 0.74 0.00 0.00 0.00 179.25 179.45 1x3b h PHE 53 N -0.99 0.32 0.00 0.00 -1.00 -1.52 -1.33 116.94 112.42 1x3b h PHE 53 Ca -0.05 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1x3b h PHE 53 Cb 0.51 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1x3b h PHE 53 CO 0.03 0.36 -0.18 0.00 -1.61 0.00 0.00 178.31 176.91 1x3b h ARG 54 N 0.31 0.00 -0.36 1.51 3.08 -1.46 -2.01 114.38 115.46 1x3b h ARG 54 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 1x3b h ARG 54 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1x3b h ARG 54 CO 0.01 0.18 -0.42 0.00 -1.07 0.00 0.00 179.97 178.66 1x3b h ALA 55 N 1.82 0.57 -1.82 0.04 0.00 -0.77 -3.45 119.26 115.66 1x3b h ALA 55 Ca -0.00 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 1x3b h ALA 55 Cb 0.36 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.14 1x3b h ALA 55 CO 0.02 0.68 0.04 1.28 0.00 0.00 0.00 179.25 181.27 1x3b n LEU 56 N -4.04 1.36 -4.79 0.00 4.77 -0.76 -4.94 117.00 108.59 1x3b n LEU 56 Ca -0.03 1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.83 1x3b n LEU 56 Cb 0.56 -1.24 0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1x3b n LEU 56 CO 0.49 -1.62 0.71 -2.16 -1.33 0.00 0.00 177.39 173.48 1x3b s PRO 57 N -1.42 1.59 0.00 3.23 0.04 -1.26 -4.84 135.00 132.34 1x3b s PRO 57 Ca 0.60 0.46 0.24 0.00 0.04 0.00 0.00 61.00 62.33 1x3b s PRO 57 Cb -0.74 -1.88 1.34 0.00 0.04 0.00 0.00 34.50 33.26 1x3b s PRO 57 CO 0.59 -1.93 1.78 -0.35 0.04 0.00 0.00 177.00 177.13 1x3b n PRO 58 N -3.61 0.61 -0.04 0.56 -0.04 -1.26 -0.76 135.00 130.46 1x3b n PRO 58 Ca 0.07 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 1x3b n PRO 58 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1x3b n PRO 58 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x3b n ARG 59 N -1.09 0.72 0.01 0.54 0.00 -1.26 -4.18 116.66 111.40 1x3b n ARG 59 Ca 0.16 0.23 0.11 0.00 -0.00 0.00 0.00 57.85 58.35 1x3b n ARG 59 Cb 0.11 -1.65 0.10 0.00 0.00 0.00 0.00 32.46 31.02 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1x3b n GLU 60 N -3.39 0.13 0.00 -0.14 2.13 -1.13 -3.85 120.64 114.39 1x3b n GLU 60 Ca -0.36 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.47 1x3b n GLU 60 Cb 1.03 -1.55 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 -1.71 0.00 0.34 5.31 0.63 0.06 -2.93 116.66 118.35 1x3b n ARG 61 Ca 0.04 0.22 0.16 0.00 -0.92 0.00 0.00 57.85 57.35 1x3b n ARG 61 Cb 0.38 -1.06 0.88 0.00 0.45 0.00 0.00 32.46 33.11 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 0.31 6.15 0.87 -1.79 0.89 113.55 119.99 1x3b h SER 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x3b h SER 62 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1x3b h SER 62 CO 0.00 0.00 -0.29 0.03 -0.53 0.00 0.00 176.83 176.04 1x3b h ARG 63 N 0.00 -0.60 0.09 2.24 2.47 -1.65 1.42 114.38 118.35 1x3b h ARG 63 Ca 0.00 0.04 -0.21 0.00 -1.26 0.00 0.00 59.98 58.56 1x3b h ARG 63 Cb 0.57 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1x3b h ARG 63 CO -0.00 -0.40 -1.03 -0.07 0.56 0.00 0.00 179.97 179.03 1x3b h LEU 64 N -0.62 0.30 -2.02 3.04 3.38 -1.12 -1.09 115.31 117.17 1x3b h LEU 64 Ca -0.02 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1x3b h LEU 64 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1x3b h LEU 64 CO -0.04 1.45 0.00 -0.07 0.09 0.00 0.00 178.44 179.87 1x3b h LEU 65 N -0.51 0.00 0.00 1.67 3.38 -0.91 -3.32 115.31 115.62 1x3b h LEU 65 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1x3b h LEU 65 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1x3b h LEU 65 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1x3b n GLY 66 N -1.02 -0.33 3.76 0.83 0.00 0.49 -4.97 105.19 103.95 1x3b n GLY 66 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1x3b n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -1.00 6.44 -0.13 1.61 2.15 -0.42 -4.93 116.67 120.39 1x3b s ASP 67 Ca 0.00 2.92 -0.25 0.00 0.43 0.00 0.00 52.55 55.64 1x3b s ASP 67 Cb 0.00 -2.64 -0.26 0.00 -0.30 0.00 0.00 42.92 39.72 1x3b s ASP 67 CO 0.00 -0.84 0.68 0.00 -0.17 0.00 0.00 175.17 174.83 1x3b h ALA 68 N 4.27 0.05 -0.06 3.66 0.00 -1.85 -3.12 119.26 122.20 1x3b h ALA 68 Ca -0.48 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 53.72 1x3b h ALA 68 Cb 1.23 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1x3b h ALA 68 CO 0.74 0.28 -0.04 0.87 0.00 0.00 0.00 179.25 181.09 1x3b h LYS 69 N -0.81 -0.01 -0.98 0.00 1.79 -1.94 0.80 116.57 115.42 1x3b h LYS 69 Ca -0.12 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.61 1x3b h LYS 69 Cb 1.25 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.84 1x3b h LYS 69 CO -0.00 -0.01 0.67 0.93 -1.08 0.00 0.00 179.45 179.96 1x3b h GLU 70 N -0.01 0.23 0.00 3.15 4.39 -1.89 0.26 114.58 120.71 1x3b h GLU 70 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x3b h GLU 70 Cb 0.04 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1x3b h GLU 70 CO -0.06 0.15 0.00 -0.11 -1.16 0.00 0.00 179.01 177.83 1x3b n LEU 71 N -4.43 0.00 -0.30 1.33 0.00 0.25 -1.30 117.00 112.55 1x3b n LEU 71 Ca 0.22 0.98 0.15 0.00 0.00 0.00 0.00 56.01 57.36 1x3b n LEU 71 Cb 0.90 -0.48 0.40 0.00 0.00 0.00 0.00 43.42 44.24 1x3b n LEU 71 CO 0.33 -0.48 1.21 0.00 0.00 0.00 0.00 177.39 178.45 1x3b h ALA 72 N -1.92 1.91 -0.65 1.96 0.00 0.05 0.20 119.26 120.81 1x3b h ALA 72 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1x3b h ALA 72 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 1x3b h ALA 72 CO 0.00 -0.22 0.12 -0.97 0.00 0.00 0.00 179.25 178.18 1x3b h ASN 73 N 0.62 -0.05 0.20 0.00 -0.73 -0.23 1.48 115.58 116.87 1x3b h ASN 73 Ca 0.51 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.80 1x3b h ASN 73 Cb 0.96 0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.74 1x3b h ASN 73 CO -0.26 -0.03 -0.09 0.40 -0.37 0.00 0.00 177.43 177.08 1x3b h ILE 74 N 0.23 0.86 -0.61 2.57 1.08 0.68 -2.68 117.51 119.65 1x3b h ILE 74 Ca 0.35 -0.91 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 1x3b h ILE 74 Cb 0.55 1.35 -0.11 0.00 -3.07 0.00 0.00 36.82 35.55 1x3b h ILE 74 CO -0.46 0.19 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.07 1x3b h LEU 75 N -0.76 -0.35 -0.69 1.44 3.38 -0.34 0.38 115.31 118.36 1x3b h LEU 75 Ca -0.03 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1x3b h LEU 75 Cb 0.51 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 1x3b h LEU 75 CO 0.04 -0.14 0.22 0.11 0.09 0.00 0.00 178.44 178.76 1x3b h LYS 76 N 0.08 0.34 0.00 1.13 1.57 0.21 0.92 116.57 120.82 1x3b h LYS 76 Ca 0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1x3b h LYS 76 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1x3b h LYS 76 CO -0.55 0.23 0.00 -0.92 -0.57 0.00 0.00 179.45 177.64 1x3b h TYR 77 N 0.35 0.00 0.00 -1.35 3.20 -0.05 -2.01 116.97 117.12 1x3b h TYR 77 Ca 0.38 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1x3b h TYR 77 Cb 0.57 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1x3b h TYR 77 CO -0.21 0.00 -0.93 0.45 -1.64 0.00 0.00 178.16 175.83 1x3b h HIS 78 N 0.00 0.00 -2.90 -3.82 3.86 0.34 -3.46 115.15 109.17 1x3b h HIS 78 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1x3b h HIS 78 Cb 0.46 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.86 1x3b h HIS 78 CO 0.00 0.01 -0.52 0.42 0.86 0.00 0.00 177.93 178.70 1x3b s ILE 79 N -3.34 5.16 0.48 2.45 1.01 0.18 -2.83 121.20 124.30 1x3b s ILE 79 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1x3b s ILE 79 Cb 0.09 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1x3b s ILE 79 CO 0.78 0.40 0.21 -0.83 0.00 0.00 0.00 174.94 175.50 1x3b s GLY 80 N -1.67 2.50 -0.46 6.18 0.00 0.14 -3.30 107.32 110.71 1x3b s GLY 80 Ca 0.23 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1x3b s GLY 80 CO 0.14 -1.98 1.59 1.34 0.00 0.00 0.00 173.10 174.19 1x3b n ASP 81 N -1.41 5.95 0.00 1.64 2.03 -0.22 -3.72 116.55 120.81 1x3b n ASP 81 Ca -0.05 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.49 1x3b n ASP 81 Cb 0.65 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.84 0.00 -3.28 -0.67 0.28 -1.26 -4.95 120.64 109.92 1x3b n GLU 82 Ca 0.52 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.13 1x3b n GLU 82 Cb 0.85 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.66 1x3b n GLU 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3b s ILE 83 N -2.00 4.82 -0.11 3.84 -1.09 -1.26 -3.10 121.20 122.30 1x3b s ILE 83 Ca 0.00 1.18 -0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1x3b s ILE 83 Cb 0.00 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1x3b s ILE 83 CO 0.00 0.52 0.21 -0.22 -1.23 0.00 0.00 174.94 174.22 1x3b s LEU 84 N -0.84 -0.19 0.00 2.97 0.20 -1.26 -5.05 118.68 114.51 1x3b s LEU 84 Ca 0.29 0.46 0.07 0.00 0.69 0.00 0.00 54.13 55.63 1x3b s LEU 84 Cb -0.19 0.49 -0.02 0.00 -0.43 0.00 0.00 46.19 46.04 1x3b s LEU 84 CO 0.18 -0.24 0.24 1.33 -0.29 0.00 0.00 176.35 177.56 1x3b n VAL 85 N 5.34 0.00 -1.73 1.68 0.24 -1.26 -4.97 118.33 117.64 1x3b n VAL 85 Ca -0.05 -2.28 -0.41 0.00 -2.04 0.00 0.00 64.34 59.55 1x3b n VAL 85 Cb 0.50 1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.93 1x3b n VAL 85 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1x3b n SER 86 N -1.72 6.08 0.00 -1.34 3.41 -1.26 -4.34 113.62 114.45 1x3b n SER 86 Ca 0.04 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1x3b n SER 86 Cb 0.57 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 3.45 0.08 2.87 5.00 0.00 -1.26 -4.92 105.19 110.41 1x3b n GLY 87 Ca 0.60 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 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 2.50 5.61 0.00 -0.02 0.00 -1.26 -4.88 105.19 107.14 1x3b n GLY 88 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.49 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 114.02 1x3b n ILE 89 Ca 0.52 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.83 1x3b n ILE 89 Cb 0.26 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 1.82 0.33 5.11 7.39 0.00 -1.26 -4.88 105.19 113.70 1x3b n GLY 90 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.17 4.61 0.00 -1.26 -4.64 120.51 116.05 1x3b n ALA 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 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 1.05 0.04 0.00 2.96 -1.26 -3.62 118.68 117.86 1x3b s LEU 92 Ca 0.00 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1x3b s LEU 92 Cb 0.00 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 1x3b s LEU 92 CO 0.00 -0.45 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.86 1x3b s VAL 93 N -1.49 0.26 -0.29 1.68 1.01 -0.43 -5.00 120.40 116.15 1x3b s VAL 93 Ca -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 1x3b s VAL 93 Cb -0.05 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1x3b s VAL 93 CO 0.03 -0.77 -0.01 -0.13 0.00 0.00 0.00 175.10 174.22 1x3b s ARG 94 N -2.90 2.54 -0.24 2.72 0.52 -1.26 -2.36 118.95 117.97 1x3b s ARG 94 Ca -0.02 -1.19 -0.13 0.00 -0.52 0.00 0.00 55.73 53.88 1x3b s ARG 94 Cb 0.00 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1x3b s ARG 94 CO -0.06 -0.57 0.29 -1.17 0.02 0.00 0.00 175.30 173.82 1x3b s LEU 95 N 1.28 4.09 0.14 2.53 0.20 0.71 -4.90 118.68 122.73 1x3b s LEU 95 Ca -0.04 0.25 -0.30 0.00 0.69 0.00 0.00 54.13 54.73 1x3b s LEU 95 Cb -0.19 -2.31 -0.07 0.00 -0.43 0.00 0.00 46.19 43.19 1x3b s LEU 95 CO -0.02 -0.06 1.22 -0.75 -0.29 0.00 0.00 176.35 176.46 1x3b s LYS 96 N 1.50 4.45 0.06 1.98 2.20 -1.26 0.19 119.74 128.87 1x3b s LYS 96 Ca 0.13 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.62 1x3b s LYS 96 Cb -0.15 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1x3b s LYS 96 CO 0.08 -0.18 0.12 0.45 -0.36 0.00 0.00 175.35 175.46 1x3b s SER 97 N 0.54 5.80 0.48 1.43 0.15 -1.03 -1.06 113.70 120.01 1x3b s SER 97 Ca 0.56 0.09 0.13 0.00 0.70 0.00 0.00 55.95 57.43 1x3b s SER 97 Cb -0.32 -1.64 1.14 0.00 -1.71 0.00 0.00 66.02 63.48 1x3b s SER 97 CO 0.33 0.18 2.12 -0.07 1.20 0.00 0.00 173.24 177.01 1x3b h LEU 98 N 3.33 0.15 -1.62 3.45 3.38 -1.59 0.88 115.31 123.29 1x3b h LEU 98 Ca -0.46 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1x3b h LEU 98 Cb 1.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1x3b h LEU 98 CO 0.68 0.11 -0.21 -0.61 0.09 0.00 0.00 178.44 178.51 1x3b h GLN 99 N 0.18 0.00 0.00 1.13 4.15 -1.84 -3.47 115.11 115.26 1x3b h GLN 99 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1x3b h GLN 99 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1x3b h GLN 99 CO -0.01 0.21 0.00 0.41 -1.93 0.00 0.00 178.83 177.51 1x3b n GLY 100 N -0.75 3.54 3.75 2.39 0.00 0.30 -4.79 105.19 109.63 1x3b n GLY 100 Ca -0.02 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 6.74 0.01 1.61 1.01 -1.26 -4.45 116.67 120.33 1x3b s ASP 101 Ca 0.00 2.63 -0.25 0.00 0.71 0.00 0.00 52.55 55.64 1x3b s ASP 101 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1x3b s ASP 101 CO 0.00 -0.61 0.78 -0.54 0.21 0.00 0.00 175.17 175.01 1x3b s LYS 102 N -0.90 4.50 0.13 8.23 3.01 -1.26 -2.45 119.74 130.99 1x3b s LYS 102 Ca 0.55 1.07 -0.17 0.00 -1.01 0.00 0.00 55.97 56.41 1x3b s LYS 102 Cb -0.40 -3.40 -0.07 0.00 -1.01 0.00 0.00 37.83 32.95 1x3b s LYS 102 CO 0.46 0.18 0.59 -0.51 0.51 0.00 0.00 175.35 176.59 1x3b s LEU 103 N 0.29 4.42 -0.17 3.17 1.43 0.50 -4.85 118.68 123.48 1x3b s LEU 103 Ca 0.40 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.59 1x3b s LEU 103 Cb -0.20 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1x3b s LEU 103 CO 0.23 0.16 0.25 -1.61 0.23 0.00 0.00 176.35 175.61 1x3b s GLU 104 N -1.60 4.23 -0.06 1.70 2.02 -1.26 -0.21 118.70 123.52 1x3b s GLU 104 Ca 0.35 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1x3b s GLU 104 Cb -0.17 -3.42 0.04 0.00 0.10 0.00 0.00 34.13 30.68 1x3b s GLU 104 CO 0.19 0.26 0.12 0.08 0.02 0.00 0.00 175.26 175.94 1x3b s VAL 105 N 0.42 -0.14 0.25 2.63 1.01 -0.99 -0.70 120.40 122.89 1x3b s VAL 105 Ca 0.14 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 105 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1x3b s VAL 105 CO 0.02 0.12 0.12 -0.94 0.00 0.00 0.00 175.10 174.42 1x3b s SER 106 N 1.72 1.01 -0.21 3.32 1.04 -1.21 -1.32 113.70 118.06 1x3b s SER 106 Ca -0.02 -1.42 -0.01 0.00 0.48 0.00 0.00 55.95 54.98 1x3b s SER 106 Cb -0.12 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.31 1x3b s SER 106 CO -0.05 -0.79 -0.02 -0.22 0.98 0.00 0.00 173.24 173.14 1x3b s LEU 107 N -3.29 1.96 -0.00 2.42 2.96 -1.24 -3.18 118.68 118.31 1x3b s LEU 107 Ca 0.38 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1x3b s LEU 107 Cb 0.07 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 1x3b s LEU 107 CO 0.14 -0.26 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.13 1x3b s LYS 108 N 1.59 0.29 -1.75 1.98 2.20 -0.71 -4.73 119.74 118.61 1x3b s LYS 108 Ca -0.03 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1x3b s LYS 108 Cb -0.18 -0.29 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 1x3b s LYS 108 CO -0.07 0.06 0.00 0.09 -0.36 0.00 0.00 175.35 175.07 1x3b n ASN 109 N 3.06 -4.79 -0.42 1.43 3.02 -1.26 0.12 115.26 116.42 1x3b n ASN 109 Ca -0.13 0.41 -0.05 0.00 -0.03 0.00 0.00 54.58 54.77 1x3b n ASN 109 Cb 0.58 -4.16 -0.02 0.00 -0.61 0.00 0.00 39.78 35.57 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 -1.00 -3.58 -4.55 6.41 5.15 -1.26 -5.02 115.26 111.41 1x3b n ASN 110 Ca -0.16 0.13 -0.33 0.00 -0.60 0.00 0.00 54.58 53.61 1x3b n ASN 110 Cb 0.58 -1.62 -0.12 0.00 -0.53 0.00 0.00 39.78 38.10 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 -2.20 3.43 -0.12 3.44 1.01 0.33 -5.11 120.40 121.17 1x3b s VAL 111 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1x3b s VAL 111 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1x3b s VAL 111 CO 0.00 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.99 1x3b s VAL 112 N -0.85 4.75 0.05 2.92 1.01 -1.26 -1.73 120.40 125.29 1x3b s VAL 112 Ca 0.14 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1x3b s VAL 112 Cb -0.11 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1x3b s VAL 112 CO 0.03 0.57 -0.13 -0.44 0.00 0.00 0.00 175.10 175.13 1x3b s SER 113 N -0.54 1.48 -0.24 3.32 0.01 -1.19 -2.66 113.70 113.87 1x3b s SER 113 Ca 0.10 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 1x3b s SER 113 Cb -0.12 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.13 1x3b s SER 113 CO 0.02 -0.05 0.04 0.54 0.41 0.00 0.00 173.24 174.20 1x3b s VAL 114 N -1.09 0.82 -0.54 3.43 0.11 -0.10 -3.33 120.40 119.69 1x3b s VAL 114 Ca -0.02 -0.98 -0.00 0.00 -2.93 0.00 0.00 61.98 58.05 1x3b s VAL 114 Cb -0.09 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1x3b s VAL 114 CO 0.01 -0.37 0.07 0.59 -3.33 0.00 0.00 175.10 172.08 1x3b n ASN 115 N 4.91 -2.71 -0.95 3.54 3.02 0.13 -2.64 115.26 120.56 1x3b n ASN 115 Ca -0.07 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1x3b n ASN 115 Cb 0.45 -1.91 -0.01 0.00 -0.61 0.00 0.00 39.78 37.70 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 -1.69 -0.68 -4.91 3.52 5.02 -1.26 -5.02 118.16 113.14 1x3b n LYS 116 Ca -0.06 0.46 -0.29 0.00 -2.02 0.00 0.00 58.31 56.40 1x3b n LYS 116 Cb 0.55 -4.43 -0.15 0.00 -0.02 0.00 0.00 35.03 30.98 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 -4.25 1.73 0.16 1.97 0.41 -1.08 -5.12 118.70 112.52 1x3b s GLU 117 Ca 0.00 -1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 53.26 1x3b s GLU 117 Cb 0.00 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.45 1x3b s GLU 117 CO 0.00 0.48 1.13 -1.25 -0.49 0.00 0.00 175.26 175.13 1x3b s PRO 118 N -1.05 4.55 0.30 0.39 0.04 -1.26 -0.92 135.00 137.05 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 -0.09 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1x3b s PRO 118 CO 0.01 -0.01 0.61 0.08 0.04 0.00 0.00 177.00 177.74 1x3b s VAL 119 N 0.02 4.92 0.00 -0.36 1.01 -1.09 -3.41 120.40 121.50 1x3b s VAL 119 Ca 0.51 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1x3b s VAL 119 Cb -0.30 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1x3b s VAL 119 CO 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.14 1x3b n ALA 120 N -0.79 0.00 -3.38 5.51 0.00 0.68 -4.75 120.51 117.78 1x3b n ALA 120 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 1x3b n ALA 120 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.84 0.70 1.08 0.00 0.41 -0.76 -4.99 118.70 114.30 1x3b s GLU 121 Ca 0.00 -1.43 -0.18 0.00 -0.41 0.00 0.00 54.97 52.95 1x3b s GLU 121 Cb 0.00 -1.13 0.24 0.00 -1.78 0.00 0.00 34.13 31.46 1x3b s GLU 121 CO 0.00 -1.27 1.22 -1.25 -0.49 0.00 0.00 175.26 173.47 1x3b s PRO 122 N 0.85 -0.26 -0.16 0.39 0.04 -1.26 -3.13 135.00 131.46 1x3b s PRO 122 Ca 0.23 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 1x3b s PRO 122 Cb -0.12 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1x3b s PRO 122 CO -0.06 -3.04 0.14 -3.47 0.04 0.00 0.00 177.00 170.60 1x3b n ASP 123 N -4.25 -2.55 -4.10 6.66 -0.08 -1.22 -4.92 116.55 106.08 1x3b n ASP 123 Ca 0.14 -0.10 -0.36 0.00 -1.51 0.00 0.00 54.79 52.96 1x3b n ASP 123 Cb 0.59 -1.20 -0.10 0.00 2.34 0.00 0.00 41.12 42.75 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 3.62 0.19 5.18 1.01 -0.32 -4.97 121.20 122.85 1x3b s ILE 124 Ca 0.05 -2.81 -0.30 0.00 0.00 0.00 0.00 60.65 57.59 1x3b s ILE 124 Cb -0.01 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 1x3b s ILE 124 CO 0.11 -0.84 1.37 -0.04 0.00 0.00 0.00 174.94 175.54 1x3b s MET 125 N 0.14 4.33 0.02 2.79 -1.94 -1.26 -0.22 119.30 123.16 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 -0.21 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1x3b s MET 125 CO -0.03 -0.35 0.01 0.00 -0.01 0.00 0.00 175.02 174.63 1x3b n ALA 126 N 2.86 0.02 0.09 3.03 0.00 0.24 -4.93 120.51 121.83 1x3b n ALA 126 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1x3b n ALA 126 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 0.81 1.38 -0.42 0.00 1.35 -1.76 -3.39 112.91 110.88 1x3b h THR 127 Ca -0.01 -2.93 -0.28 0.00 -0.55 0.00 0.00 66.41 62.63 1x3b h THR 127 Cb 0.05 2.67 -0.22 0.00 -1.73 0.00 0.00 68.15 68.91 1x3b h THR 127 CO 0.02 0.78 -0.63 -0.46 -0.25 0.00 0.00 175.52 174.99 1x3b n ASN 128 N -3.31 -1.12 0.00 5.36 6.94 -1.26 -4.98 115.26 116.89 1x3b n ASN 128 Ca 0.01 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 1x3b n ASN 128 Cb 0.85 0.81 0.00 0.00 -2.36 0.00 0.00 39.78 39.09 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 -0.12 -0.51 3.29 4.83 0.00 -1.26 -3.46 105.19 107.96 1x3b n GLY 129 Ca 0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1x3b n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3b s VAL 130 N -2.93 0.00 0.02 1.61 0.11 -1.25 -0.60 120.40 117.37 1x3b s VAL 130 Ca 0.00 -1.85 -0.07 0.00 -2.93 0.00 0.00 61.98 57.13 1x3b s VAL 130 Cb 0.00 -2.41 -0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1x3b s VAL 130 CO 0.00 -0.01 0.14 -0.69 -3.33 0.00 0.00 175.10 171.20 1x3b s VAL 131 N -4.12 0.11 -0.30 2.04 1.01 0.69 -3.39 120.40 116.42 1x3b s VAL 131 Ca 0.35 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1x3b s VAL 131 Cb 0.05 -0.69 0.11 0.00 0.00 0.00 0.00 36.38 35.85 1x3b s VAL 131 CO 0.11 -0.48 0.14 -1.00 0.00 0.00 0.00 175.10 173.87 1x3b s HIS 132 N -2.04 0.48 0.17 5.22 3.76 -0.79 -1.18 115.29 120.91 1x3b s HIS 132 Ca -0.10 -1.06 -0.33 0.00 -0.15 0.00 0.00 55.06 53.42 1x3b s HIS 132 Cb -0.04 -0.96 -0.13 0.00 1.11 0.00 0.00 32.58 32.56 1x3b s HIS 132 CO -0.02 -0.83 1.66 0.28 -0.85 0.00 0.00 174.74 174.98 1x3b n VAL 133 N 5.01 0.03 -3.51 -0.90 0.31 -1.18 -3.60 118.33 114.49 1x3b n VAL 133 Ca -0.03 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.09 1x3b n VAL 133 Cb 0.41 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 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 1.18 2.56 -0.84 2.52 -4.36 0.17 0.25 121.20 122.68 1x3b s ILE 134 Ca 0.78 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.94 1x3b s ILE 134 Cb -0.60 -2.87 0.14 0.00 1.25 0.00 0.00 42.46 40.38 1x3b s ILE 134 CO 0.36 0.00 0.97 0.35 0.24 0.00 0.00 174.94 176.86 1x3b n THR 135 N -1.64 0.50 -3.83 8.37 -2.24 -1.22 -1.93 114.28 112.29 1x3b n THR 135 Ca 0.04 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 1x3b n THR 135 Cb 0.62 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 1x3b n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x3b s ASN 136 N -0.84 -0.11 -0.61 3.42 4.22 -1.26 -4.61 114.94 115.14 1x3b s ASN 136 Ca 0.13 -0.65 -0.20 0.00 -2.14 0.00 0.00 52.86 50.00 1x3b s ASN 136 Cb 0.08 0.50 0.09 0.00 1.28 0.00 0.00 41.25 43.20 1x3b s ASN 136 CO 0.11 -0.96 0.79 -0.69 -2.04 0.00 0.00 177.10 174.31 1x3b s VAL 137 N -3.91 4.64 0.97 3.54 1.01 -1.26 -4.56 120.40 120.83 1x3b s VAL 137 Ca 0.12 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1x3b s VAL 137 Cb 0.01 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1x3b s VAL 137 CO -0.02 -1.22 0.01 0.18 0.00 0.00 0.00 175.10 174.05 1x3b n LEU 138 N 6.82 -2.02 -3.98 3.92 4.77 -1.26 -5.02 117.00 120.23 1x3b n LEU 138 Ca -0.07 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1x3b n LEU 138 Cb 0.44 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 1x3b n LEU 138 CO 0.60 -4.30 -0.32 -1.10 -1.33 0.00 0.00 177.39 170.94 1x3b s GLN 139 N -3.14 0.43 0.83 3.23 -0.21 -1.26 -5.06 119.66 114.48 1x3b s GLN 139 Ca 0.52 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1x3b s GLN 139 Cb -0.19 0.16 0.09 0.00 1.00 0.00 0.00 33.01 34.06 1x3b s GLN 139 CO 0.72 -0.08 1.11 -1.25 -2.12 0.00 0.00 175.29 173.66 1x3b s PRO 140 N -2.14 1.84 0.00 2.91 0.04 -1.26 -5.04 135.00 131.35 1x3b s PRO 140 Ca -0.09 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1x3b s PRO 140 Cb -0.05 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1x3b s PRO 140 CO -0.03 -1.77 0.14 0.45 0.04 0.00 0.00 177.00 175.82 1x3b n SER 141 N -3.52 0.00 -2.62 6.66 2.88 -1.26 -5.08 113.62 110.68 1x3b n SER 141 Ca 0.07 0.52 0.01 0.00 -1.33 0.00 0.00 58.87 58.14 1x3b n SER 141 Cb 0.57 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 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 1.62 0.48 2.87 0.46 0.00 -1.26 -5.04 105.19 104.32 1x3b n GLY 142 Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.52 2.22 -3.91 1.61 -0.04 -1.26 -4.76 135.00 128.33 1x3b n PRO 143 Ca 0.02 -2.15 -0.29 0.00 -0.04 0.00 0.00 63.50 61.03 1x3b n PRO 143 Cb 0.34 -3.04 -0.13 0.00 -0.04 0.00 0.00 33.50 30.64 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 3.99 4.67 0.38 3.54 0.15 -1.26 -5.02 113.70 120.15 1x3b s SER 144 Ca 0.52 -3.48 0.00 0.00 0.70 0.00 0.00 55.95 53.70 1x3b s SER 144 Cb 0.14 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1x3b s SER 144 CO 0.01 -0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.06 1x3b n SER 145 N 2.49 -5.96 0.00 5.45 2.88 -1.26 -4.95 113.62 112.27 1x3b n SER 145 Ca 0.13 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1x3b n SER 145 Cb 0.34 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.75 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42