#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4r h VAL 3 N 0.00 1.26 -0.60 -3.33 2.07 -1.90 -2.42 116.25 111.33 3g4r h VAL 3 Ca 0.00 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3g4r h VAL 3 Cb 0.00 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3g4r h VAL 3 CO 0.00 0.42 0.40 0.22 0.02 0.00 0.00 177.57 178.62 3g4r h TYR 4 N 0.86 0.75 -0.57 1.57 3.20 -1.95 -0.79 116.97 120.04 3g4r h TYR 4 Ca 0.15 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3g4r h TYR 4 Cb 0.60 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3g4r h TYR 4 CO 0.04 0.47 0.34 -0.44 -1.64 0.00 0.00 178.16 176.93 3g4r h ASP 5 N 0.81 0.55 0.03 -2.11 3.32 -1.91 0.27 116.42 117.38 3g4r h ASP 5 Ca 0.22 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3g4r h ASP 5 Cb -0.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3g4r h ASP 5 CO -0.05 0.39 -0.19 0.00 -1.72 0.00 0.00 179.24 177.67 3g4r h ALA 6 N 1.26 1.37 0.03 3.45 0.00 -0.98 -2.54 119.26 121.85 3g4r h ALA 6 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3g4r h ALA 6 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g4r h ALA 6 CO -0.11 0.43 -0.40 0.00 0.00 0.00 0.00 179.25 179.18 3g4r h ALA 7 N 1.54 0.00 0.00 0.00 0.00 -0.42 -3.26 119.26 117.12 3g4r h ALA 7 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3g4r h ALA 7 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3g4r h ALA 7 CO 0.03 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3g4r h ALA 8 N 0.18 1.00 0.00 0.00 0.00 -0.43 -2.14 119.26 117.87 3g4r h ALA 8 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g4r h ALA 8 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3g4r h ALA 8 CO 0.08 0.00 -0.27 -0.56 0.00 0.00 0.00 179.25 178.50 3g4r h GLN 9 N 0.00 0.00 -6.11 0.00 -0.00 -1.50 -3.45 115.11 104.06 3g4r h GLN 9 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.06 3g4r h GLN 9 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 3g4r h GLN 9 CO 0.00 0.07 1.37 1.28 -0.00 0.00 0.00 178.83 181.55 3g4r n LEU 10 N -3.04 3.31 -4.92 0.06 4.77 -0.81 -4.94 117.00 111.43 3g4r n LEU 10 Ca 0.03 0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 56.24 3g4r n LEU 10 Cb 0.57 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.24 3g4r n LEU 10 CO 0.36 -0.41 0.64 0.42 -1.33 0.00 0.00 177.39 177.07 3g4r s THR 11 N 6.70 2.69 0.32 -5.08 -4.23 -1.26 -4.86 115.64 109.92 3g4r s THR 11 Ca 0.99 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 3g4r s THR 11 Cb -0.49 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.48 3g4r s THR 11 CO 0.41 -0.18 1.89 0.00 -0.54 0.00 0.00 174.62 176.21 3g4r h ALA 12 N -0.57 1.60 -0.36 3.99 0.00 -1.99 -0.09 119.26 121.83 3g4r h ALA 12 Ca -0.45 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 3g4r h ALA 12 Cb 1.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3g4r h ALA 12 CO 0.62 0.22 -0.30 -0.44 0.00 0.00 0.00 179.25 179.35 3g4r h ASP 13 N 0.93 0.89 -0.41 0.00 3.32 -1.99 -1.63 116.42 117.52 3g4r h ASP 13 Ca 0.41 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3g4r h ASP 13 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3g4r h ASP 13 CO -0.18 1.15 0.09 0.58 -1.72 0.00 0.00 179.24 179.16 3g4r h VAL 14 N 0.63 1.24 -0.57 -1.35 2.07 -1.76 -1.47 116.25 115.03 3g4r h VAL 14 Ca 0.07 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3g4r h VAL 14 Cb 0.87 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3g4r h VAL 14 CO 0.08 0.29 0.25 0.11 0.02 0.00 0.00 177.57 178.32 3g4r h LYS 15 N 0.53 0.81 -0.38 1.57 1.57 -0.98 -0.36 116.57 119.33 3g4r h LYS 15 Ca 0.13 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3g4r h LYS 15 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3g4r h LYS 15 CO 0.00 0.64 0.05 -0.22 -0.57 0.00 0.00 179.45 179.35 3g4r h LYS 16 N 0.80 0.65 -0.36 3.15 1.63 -0.96 -0.66 116.57 120.82 3g4r h LYS 16 Ca 0.20 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 3g4r h LYS 16 Cb 0.12 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3g4r h LYS 16 CO -0.02 0.71 -0.14 -0.44 -3.45 0.00 0.00 179.45 176.11 3g4r h ASP 17 N 0.49 0.64 -0.26 4.20 3.32 -0.83 -0.10 116.42 123.87 3g4r h ASP 17 Ca 0.11 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3g4r h ASP 17 Cb 0.39 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3g4r h ASP 17 CO 0.01 0.80 0.03 -0.07 -1.72 0.00 0.00 179.24 178.29 3g4r h LEU 18 N 0.59 0.43 -0.49 1.55 3.38 -0.86 -2.34 115.31 117.58 3g4r h LEU 18 Ca 0.10 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3g4r h LEU 18 Cb 0.58 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3g4r h LEU 18 CO 0.04 0.60 -0.08 0.03 0.09 0.00 0.00 178.44 179.12 3g4r h ARG 19 N 0.25 0.92 -0.62 1.13 3.08 -0.92 -1.17 114.38 117.04 3g4r h ARG 19 Ca 0.08 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 3g4r h ARG 19 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3g4r h ARG 19 CO 0.01 0.99 0.19 -0.44 -1.07 0.00 0.00 179.97 179.65 3g4r h ASP 20 N 0.77 0.91 0.25 7.04 3.32 -1.00 -1.39 116.42 126.32 3g4r h ASP 20 Ca 0.13 -0.21 -0.19 0.00 0.02 0.00 0.00 57.03 56.78 3g4r h ASP 20 Cb 0.62 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3g4r h ASP 20 CO 0.04 0.88 -0.73 0.77 -1.72 0.00 0.00 179.24 178.47 3g4r h SER 21 N 0.90 0.50 0.25 6.45 4.64 -1.39 -3.14 113.55 121.75 3g4r h SER 21 Ca 0.20 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 3g4r h SER 21 Cb 0.29 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3g4r h SER 21 CO -0.01 1.07 -0.35 -0.25 -0.87 0.00 0.00 176.83 176.42 3g4r h TRP 22 N 0.28 0.17 -0.81 4.77 2.91 -1.03 -0.98 115.95 121.26 3g4r h TRP 22 Ca -0.03 -0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.07 3g4r h TRP 22 Cb 1.31 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.86 3g4r h TRP 22 CO 0.05 0.48 0.53 0.87 -1.03 0.00 0.00 178.44 179.34 3g4r h LYS 23 N 0.13 0.63 0.00 2.65 1.57 -1.20 0.49 116.57 120.83 3g4r h LYS 23 Ca 0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3g4r h LYS 23 Cb 0.68 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3g4r h LYS 23 CO 0.05 0.41 -0.47 0.28 -0.57 0.00 0.00 179.45 179.15 3g4r h VAL 24 N 0.65 0.28 -0.72 0.50 2.07 -1.54 -3.31 116.25 114.18 3g4r h VAL 24 Ca 0.39 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3g4r h VAL 24 Cb 0.61 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3g4r h VAL 24 CO -0.15 0.10 0.36 0.40 0.02 0.00 0.00 177.57 178.29 3g4r h ILE 25 N -1.00 1.23 0.00 4.57 1.08 -1.16 -2.28 117.51 119.96 3g4r h ILE 25 Ca -0.06 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 3g4r h ILE 25 Cb 0.55 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3g4r h ILE 25 CO -0.04 0.27 0.00 0.61 -0.69 0.00 0.00 178.15 178.30 3g4r n GLY 26 N -1.00 -0.89 0.00 5.37 0.00 0.17 -2.77 105.19 106.07 3g4r n GLY 26 Ca 0.06 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3g4r n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4r n SER 27 N -1.33 0.01 -3.34 1.61 3.41 -0.86 -4.01 113.62 109.11 3g4r n SER 27 Ca 0.07 0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 3g4r n SER 27 Cb 0.15 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 3g4r n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g4r n ASP 28 N -1.47 0.09 -0.26 4.04 2.03 -1.11 -4.99 116.55 114.88 3g4r n ASP 28 Ca 0.08 -2.57 -0.07 0.00 0.52 0.00 0.00 54.79 52.75 3g4r n ASP 28 Cb 0.33 -0.60 0.05 0.00 -0.72 0.00 0.00 41.12 40.17 3g4r n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3g4r h LYS 29 N 4.94 1.10 0.07 -0.67 1.57 -1.75 -1.38 116.57 120.45 3g4r h LYS 29 Ca 0.18 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3g4r h LYS 29 Cb 0.88 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3g4r h LYS 29 CO 0.44 0.94 -0.03 -0.22 -0.57 0.00 0.00 179.45 180.01 3g4r h LYS 30 N 1.04 -0.08 -0.09 3.15 3.64 -1.92 0.94 116.57 123.25 3g4r h LYS 30 Ca 0.23 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3g4r h LYS 30 Cb 0.29 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3g4r h LYS 30 CO -0.01 0.24 0.04 0.78 -2.27 0.00 0.00 179.45 178.22 3g4r h GLY 31 N -0.41 0.15 2.00 5.01 0.00 -1.96 -2.30 103.07 105.55 3g4r h GLY 31 Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3g4r h GLY 31 CO 0.01 0.07 -0.44 3.43 0.00 0.00 0.00 176.54 179.62 3g4r h ASN 32 N -0.01 0.00 -0.19 0.19 2.35 -1.33 -2.34 115.58 114.25 3g4r h ASN 32 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3g4r h ASN 32 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3g4r h ASN 32 CO -0.00 0.44 -0.15 1.23 -1.65 0.00 0.00 177.43 177.30 3g4r h GLY 33 N 3.23 0.48 1.55 2.83 0.00 -0.77 -1.03 103.07 109.36 3g4r h GLY 33 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3g4r h GLY 33 CO 0.06 0.42 -0.34 -2.08 0.00 0.00 0.00 176.54 174.60 3g4r h VAL 34 N 0.11 1.29 -0.65 4.60 2.07 -1.45 -2.27 116.25 119.95 3g4r h VAL 34 Ca 0.04 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 3g4r h VAL 34 Cb 0.67 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3g4r h VAL 34 CO 0.04 0.46 0.13 0.00 0.02 0.00 0.00 177.57 178.22 3g4r h ALA 35 N 1.20 0.86 -0.22 1.67 0.00 -1.33 -0.05 119.26 121.39 3g4r h ALA 35 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3g4r h ALA 35 Cb 0.80 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g4r h ALA 35 CO 0.07 0.60 0.13 1.25 0.00 0.00 0.00 179.25 181.30 3g4r h LEU 36 N 0.98 0.26 -0.34 0.00 5.85 -0.90 -1.34 115.31 119.82 3g4r h LEU 36 Ca 0.20 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3g4r h LEU 36 Cb 0.40 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3g4r h LEU 36 CO 0.01 0.23 0.02 0.24 -0.34 0.00 0.00 178.44 178.59 3g4r h MET 37 N 0.27 0.59 -0.30 1.25 2.86 -1.22 -1.84 114.93 116.55 3g4r h MET 37 Ca 0.08 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3g4r h MET 37 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3g4r h MET 37 CO -0.02 0.70 -0.04 1.79 1.06 0.00 0.00 176.91 180.41 3g4r h THR 38 N 0.41 1.20 -0.29 2.22 1.35 -0.94 -1.67 112.91 115.19 3g4r h THR 38 Ca 0.10 -0.81 -0.14 0.00 -0.55 0.00 0.00 66.41 65.00 3g4r h THR 38 Cb 0.42 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3g4r h THR 38 CO 0.01 0.27 -0.40 0.74 -0.25 0.00 0.00 175.52 175.90 3g4r h THR 39 N 0.45 1.29 -0.52 6.82 2.02 -1.09 -0.82 112.91 121.06 3g4r h THR 39 Ca 0.10 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 3g4r h THR 39 Cb 0.36 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3g4r h THR 39 CO 0.01 0.51 0.27 0.25 0.37 0.00 0.00 175.52 176.93 3g4r h LEU 40 N 0.58 0.66 -0.79 2.58 5.85 -0.73 -1.58 115.31 121.88 3g4r h LEU 40 Ca 0.05 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 3g4r h LEU 40 Cb 0.94 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3g4r h LEU 40 CO 0.09 0.58 -0.37 -0.26 -0.34 0.00 0.00 178.44 178.13 3g4r h PHE 41 N 0.69 0.56 -0.28 1.25 0.04 -1.15 0.76 116.94 118.81 3g4r h PHE 41 Ca 0.18 -0.15 -0.19 0.00 2.80 0.00 0.00 57.97 60.61 3g4r h PHE 41 Cb 0.07 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.10 3g4r h PHE 41 CO -0.01 0.79 -0.56 0.00 -0.60 0.00 0.00 178.31 177.93 3g4r h ALA 42 N 1.20 0.45 0.00 2.45 0.00 -0.90 -3.11 119.26 119.34 3g4r h ALA 42 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3g4r h ALA 42 Cb 0.83 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3g4r h ALA 42 CO 0.07 0.67 -1.15 -0.25 0.00 0.00 0.00 179.25 178.58 3g4r n ASP 43 N -4.01 0.73 -3.27 0.00 8.00 -0.62 -4.49 116.55 112.89 3g4r n ASP 43 Ca -0.05 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 3g4r n ASP 43 Cb 0.63 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.33 3g4r n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3g4r n ASN 44 N -2.62 1.56 0.28 -2.24 4.13 0.26 -4.95 115.26 111.67 3g4r n ASN 44 Ca -0.01 -2.99 0.18 0.00 1.68 0.00 0.00 54.58 53.45 3g4r n ASN 44 Cb 0.56 -0.65 0.94 0.00 -1.54 0.00 0.00 39.78 39.09 3g4r n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3g4r h GLN 45 N 4.02 0.00 0.00 3.52 7.50 -1.73 -1.37 115.11 127.05 3g4r h GLN 45 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 3g4r h GLN 45 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.33 3g4r h GLN 45 CO 0.60 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.08 3g4r n GLU 46 N -3.42 0.12 0.03 1.46 0.00 -1.26 -2.20 120.64 115.36 3g4r n GLU 46 Ca -0.01 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.67 3g4r n GLU 46 Cb 0.25 -1.75 0.16 0.00 0.00 0.00 0.00 31.44 30.10 3g4r n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3g4r n THR 47 N -1.98 0.17 -0.27 3.84 -2.24 -0.52 -4.30 114.28 108.99 3g4r n THR 47 Ca 0.02 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 3g4r n THR 47 Cb 0.17 0.11 0.18 0.00 -2.10 0.00 0.00 70.33 68.70 3g4r n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3g4r h ILE 48 N 0.00 0.76 -0.53 2.28 2.04 -1.60 -2.05 117.51 118.40 3g4r h ILE 48 Ca 0.00 -0.20 0.13 0.00 1.00 0.00 0.00 64.86 65.79 3g4r h ILE 48 Cb 0.65 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3g4r h ILE 48 CO 0.00 0.11 0.37 1.23 0.00 0.00 0.00 178.15 179.86 3g4r h GLY 49 N 0.58 0.20 2.00 5.37 0.00 -1.80 -1.16 103.07 108.26 3g4r h GLY 49 Ca 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3g4r h GLY 49 CO -0.34 0.03 -0.12 -0.97 0.00 0.00 0.00 176.54 175.14 3g4r h TYR 50 N 0.13 0.00 -0.88 5.60 0.05 -1.66 -3.10 116.97 117.12 3g4r h TYR 50 Ca 0.25 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.54 3g4r h TYR 50 Cb 0.83 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.29 3g4r h TYR 50 CO -0.00 0.12 0.52 1.19 -1.05 0.00 0.00 178.16 178.94 3g4r n PHE 51 N -3.54 2.76 0.19 4.88 3.72 -0.44 -4.68 117.46 120.35 3g4r n PHE 51 Ca -0.01 -2.07 0.15 0.00 -0.05 0.00 0.00 57.45 55.47 3g4r n PHE 51 Cb 0.25 -0.95 0.76 0.00 -0.94 0.00 0.00 39.48 38.60 3g4r n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3g4r h LYS 52 N 1.25 0.00 0.00 -1.08 2.10 -1.66 -1.29 116.57 115.88 3g4r h LYS 52 Ca 0.55 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.18 3g4r h LYS 52 Cb 2.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.53 3g4r h LYS 52 CO 1.07 0.00 -0.11 -0.09 -2.00 0.00 0.00 179.45 178.33 3g4r h ARG 53 N 0.00 0.00 0.00 0.07 2.43 -1.90 -2.39 114.38 112.59 3g4r h ARG 53 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3g4r h ARG 53 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3g4r h ARG 53 CO -0.00 0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.85 3g4r n LEU 54 N -4.05 0.00 0.00 3.80 4.77 -0.49 -5.02 117.00 116.01 3g4r n LEU 54 Ca -0.02 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3g4r n LEU 54 Cb 0.19 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3g4r n LEU 54 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3g4r n GLY 55 N 1.24 -0.04 3.55 -0.72 0.00 -0.90 -4.42 105.19 103.91 3g4r n GLY 55 Ca 0.12 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3g4r n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g4r s ASP 56 N -4.00 6.12 0.00 1.61 -1.08 -1.26 -4.85 116.67 113.21 3g4r s ASP 56 Ca 0.00 -0.63 0.14 0.00 -0.52 0.00 0.00 52.55 51.54 3g4r s ASP 56 Cb 0.00 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.52 3g4r s ASP 56 CO 0.00 -1.84 1.45 1.33 0.52 0.00 0.00 175.17 176.63 3g4r n VAL 57 N 6.65 0.99 1.01 1.11 0.24 -1.26 -2.12 118.33 124.94 3g4r n VAL 57 Ca 0.14 0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.81 3g4r n VAL 57 Cb 0.50 -1.00 0.58 0.00 -1.47 0.00 0.00 33.84 32.45 3g4r n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3g4r n SER 58 N -1.49 0.00 0.07 -1.34 3.41 -1.26 -2.67 113.62 110.35 3g4r n SER 58 Ca 0.04 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 3g4r n SER 58 Cb 0.16 -0.41 0.46 0.00 -0.26 0.00 0.00 64.21 64.17 3g4r n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4r n GLN 59 N -1.41 0.15 0.00 4.33 1.13 -0.90 -4.97 117.38 115.71 3g4r n GLN 59 Ca 0.09 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 3g4r n GLN 59 Cb 0.26 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.89 3g4r n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g4r n GLY 60 N 0.85 3.27 0.39 1.08 0.00 -1.09 -2.66 105.19 107.03 3g4r n GLY 60 Ca 0.05 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.08 3g4r n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3g4r h MET 61 N 0.00 0.14 0.00 1.61 1.85 -1.93 -1.38 114.93 115.22 3g4r h MET 61 Ca 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3g4r h MET 61 Cb 0.00 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 3g4r h MET 61 CO 0.00 0.09 -0.17 0.00 -0.40 0.00 0.00 176.91 176.44 3g4r h ALA 62 N 1.69 1.12 -1.71 0.39 0.00 -1.93 -3.41 119.26 115.41 3g4r h ALA 62 Ca 0.30 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 3g4r h ALA 62 Cb 0.99 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3g4r h ALA 62 CO -0.04 0.21 1.01 1.21 0.00 0.00 0.00 179.25 181.64 3g4r s ASN 63 N -6.11 6.42 0.32 0.00 3.84 -0.52 -4.90 114.94 113.99 3g4r s ASN 63 Ca -0.01 0.52 0.01 0.00 0.21 0.00 0.00 52.86 53.59 3g4r s ASN 63 Cb 0.11 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.79 3g4r s ASN 63 CO 0.60 -1.42 1.91 -2.24 -2.79 0.00 0.00 177.10 173.16 3g4r h ASP 64 N 10.08 0.72 -0.43 -4.21 2.03 -1.86 -0.65 116.42 122.10 3g4r h ASP 64 Ca -0.25 -0.08 -0.12 0.00 -0.73 0.00 0.00 57.03 55.84 3g4r h ASP 64 Cb 1.08 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.38 3g4r h ASP 64 CO 1.13 0.64 -0.20 0.11 -1.03 0.00 0.00 179.24 179.89 3g4r h LYS 65 N 0.78 0.93 -0.37 4.15 1.57 -1.90 -0.42 116.57 121.31 3g4r h LYS 65 Ca 0.19 -0.38 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 3g4r h LYS 65 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3g4r h LYS 65 CO -0.02 1.04 -0.38 1.25 -0.57 0.00 0.00 179.45 180.77 3g4r h LEU 66 N 0.81 0.93 -0.36 2.94 5.85 -1.68 -1.93 115.31 121.86 3g4r h LEU 66 Ca 0.11 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3g4r h LEU 66 Cb 0.75 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3g4r h LEU 66 CO 0.06 1.20 0.11 -0.09 -0.34 0.00 0.00 178.44 179.37 3g4r h ARG 67 N 0.72 0.57 -0.73 1.25 2.43 -0.96 0.66 114.38 118.31 3g4r h ARG 67 Ca 0.06 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3g4r h ARG 67 Cb 0.95 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3g4r h ARG 67 CO 0.09 0.59 0.30 0.78 -1.51 0.00 0.00 179.97 180.22 3g4r h GLY 68 N 0.43 1.15 0.85 2.80 0.00 -1.02 -1.33 103.07 105.94 3g4r h GLY 68 Ca 0.12 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3g4r h GLY 68 CO -0.00 0.57 -0.06 0.84 0.00 0.00 0.00 176.54 177.89 3g4r h HIS 69 N 1.05 0.54 -0.67 5.60 -0.00 -1.11 -2.56 115.15 118.01 3g4r h HIS 69 Ca 0.25 -0.12 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3g4r h HIS 69 Cb 0.19 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 3g4r h HIS 69 CO 0.02 0.70 0.23 0.77 -0.00 0.00 0.00 177.93 179.65 3g4r h SER 70 N 0.22 0.95 -0.38 3.26 0.02 -0.61 -0.26 113.55 116.74 3g4r h SER 70 Ca 0.06 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3g4r h SER 70 Cb 0.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3g4r h SER 70 CO 0.02 0.89 0.09 0.40 -1.14 0.00 0.00 176.83 177.09 3g4r h ILE 71 N 0.96 1.23 -0.59 3.27 2.04 -1.28 -2.70 117.51 120.42 3g4r h ILE 71 Ca 0.22 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3g4r h ILE 71 Cb 0.26 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3g4r h ILE 71 CO -0.01 0.27 0.22 0.74 0.00 0.00 0.00 178.15 179.36 3g4r h THR 72 N 0.47 1.22 -0.75 -0.27 2.02 -1.21 -2.05 112.91 112.34 3g4r h THR 72 Ca 0.12 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3g4r h THR 72 Cb 0.31 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3g4r h THR 72 CO 0.00 0.27 0.42 0.25 0.37 0.00 0.00 175.52 176.84 3g4r h LEU 73 N 0.85 0.92 -1.62 2.58 6.46 -0.85 -1.40 115.31 122.24 3g4r h LEU 73 Ca 0.20 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3g4r h LEU 73 Cb 0.19 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3g4r h LEU 73 CO -0.02 0.73 -0.18 0.24 -0.62 0.00 0.00 178.44 178.59 3g4r h MET 74 N 1.04 0.00 0.00 1.25 2.86 -1.06 -1.83 114.93 117.19 3g4r h MET 74 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3g4r h MET 74 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g4r h MET 74 CO -0.05 0.18 -0.00 1.88 1.06 0.00 0.00 176.91 179.99 3g4r h TYR 75 N 0.00 0.00 -0.26 -0.22 0.05 -1.04 -0.94 116.97 114.57 3g4r h TYR 75 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.60 3g4r h TYR 75 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 3g4r h TYR 75 CO 0.00 0.00 -0.52 0.00 -1.05 0.00 0.00 178.16 176.59 3g4r h ALA 76 N 2.02 0.41 -0.29 3.88 0.00 -1.01 -0.98 119.26 123.29 3g4r h ALA 76 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 3g4r h ALA 76 Cb 0.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3g4r h ALA 76 CO 0.00 0.60 -0.35 -0.07 0.00 0.00 0.00 179.25 179.44 3g4r h LEU 77 N 0.56 0.68 -0.80 0.00 3.38 -1.32 -1.62 115.31 116.20 3g4r h LEU 77 Ca 0.01 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3g4r h LEU 77 Cb 1.13 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3g4r h LEU 77 CO 0.12 0.97 0.52 -0.61 0.09 0.00 0.00 178.44 179.52 3g4r h GLN 78 N 0.55 1.05 0.04 1.13 5.75 -1.01 -0.80 115.11 121.82 3g4r h GLN 78 Ca 0.06 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3g4r h GLN 78 Cb 0.86 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3g4r h GLN 78 CO 0.07 0.71 -0.08 -0.97 -2.65 0.00 0.00 178.83 175.91 3g4r h ASN 79 N 1.08 -0.23 -0.16 -0.69 -0.73 -0.83 -0.73 115.58 113.29 3g4r h ASN 79 Ca 0.29 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.52 3g4r h ASN 79 Cb -0.11 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 3g4r h ASN 79 CO -0.06 -0.12 -0.05 -0.26 -0.37 0.00 0.00 177.43 176.57 3g4r h PHE 80 N -0.16 -0.10 -0.89 0.67 0.04 -0.83 -2.27 116.94 113.40 3g4r h PHE 80 Ca 0.02 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.86 3g4r h PHE 80 Cb 0.18 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 3g4r h PHE 80 CO -0.13 -0.08 0.56 0.82 -0.60 0.00 0.00 178.31 178.89 3g4r h ILE 81 N -0.01 1.08 0.00 -0.55 1.08 -0.92 -1.85 117.51 116.35 3g4r h ILE 81 Ca 0.08 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3g4r h ILE 81 Cb 0.13 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 33.82 3g4r h ILE 81 CO -0.17 0.19 -0.07 0.44 -0.69 0.00 0.00 178.15 177.85 3g4r h ASP 82 N 1.05 0.00 -0.39 1.72 3.32 -0.68 -2.94 116.42 118.51 3g4r h ASP 82 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3g4r h ASP 82 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3g4r h ASP 82 CO -0.15 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.44 3g4r n GLN 83 N -3.23 2.39 -0.17 3.56 1.13 -0.71 -4.61 117.38 115.73 3g4r n GLN 83 Ca -0.00 -2.11 0.19 0.00 -1.94 0.00 0.00 57.00 53.14 3g4r n GLN 83 Cb 0.31 -1.49 0.55 0.00 0.11 0.00 0.00 30.24 29.72 3g4r n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g4r h LEU 84 N 4.04 0.31 -0.54 1.08 3.38 -1.32 -1.93 115.31 120.33 3g4r h LEU 84 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g4r h LEU 84 Cb 0.89 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3g4r h LEU 84 CO 0.00 0.14 -0.02 0.47 0.09 0.00 0.00 178.44 179.12 3g4r n ASP 85 N -4.45 0.86 -3.61 -0.43 8.00 -1.26 -4.48 116.55 111.17 3g4r n ASP 85 Ca 0.16 -1.21 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 3g4r n ASP 85 Cb 0.64 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.61 3g4r n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3g4r s ASN 86 N -2.07 3.29 0.39 -2.24 3.84 -0.73 -5.00 114.94 112.42 3g4r s ASN 86 Ca 0.40 -2.56 0.18 0.00 0.21 0.00 0.00 52.86 51.10 3g4r s ASN 86 Cb 0.21 -0.79 1.10 0.00 -0.55 0.00 0.00 41.25 41.22 3g4r s ASN 86 CO 0.37 -0.27 1.74 -0.65 -2.79 0.00 0.00 177.10 175.50 3g4r h PRO 87 N 6.69 0.37 -0.74 0.43 0.11 -1.78 0.54 132.00 137.62 3g4r h PRO 87 Ca 0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3g4r h PRO 87 Cb 0.93 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3g4r h PRO 87 CO 0.41 0.25 0.40 -0.44 -0.21 0.00 0.00 178.00 178.41 3g4r h ASP 88 N 0.38 0.94 -0.08 -2.05 3.32 -1.94 0.14 116.42 117.13 3g4r h ASP 88 Ca 0.64 -0.10 -0.24 0.00 0.02 0.00 0.00 57.03 57.34 3g4r h ASP 88 Cb 1.59 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.92 3g4r h ASP 88 CO -0.36 0.77 -0.89 0.44 -1.72 0.00 0.00 179.24 177.49 3g4r h ASP 89 N 1.03 0.93 -0.46 6.45 3.32 -1.28 -2.83 116.42 123.57 3g4r h ASP 89 Ca 0.26 -0.67 0.01 0.00 0.02 0.00 0.00 57.03 56.66 3g4r h ASP 89 Cb 0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3g4r h ASP 89 CO -0.04 1.47 0.29 0.25 -1.72 0.00 0.00 179.24 179.49 3g4r h LEU 90 N 0.48 0.49 -0.55 1.55 5.85 -0.82 -2.46 115.31 119.86 3g4r h LEU 90 Ca -0.08 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3g4r h LEU 90 Cb 1.53 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 3g4r h LEU 90 CO 0.18 0.35 0.36 0.58 -0.34 0.00 0.00 178.44 179.57 3g4r h VAL 91 N 0.59 1.12 0.00 1.05 2.07 -0.73 -0.39 116.25 119.97 3g4r h VAL 91 Ca 0.18 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3g4r h VAL 91 Cb -0.03 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3g4r h VAL 91 CO -0.06 0.13 -0.30 0.00 0.02 0.00 0.00 177.57 177.37 3g4r h VAL 93 N 0.00 1.32 -0.61 0.00 -1.51 -1.12 -2.89 116.25 111.43 3g4r h VAL 93 Ca -0.00 -2.94 -0.05 0.00 -1.23 0.00 0.00 66.70 62.48 3g4r h VAL 93 Cb 0.68 2.84 -0.03 0.00 -2.13 0.00 0.00 31.29 32.65 3g4r h VAL 93 CO 0.04 0.85 0.19 0.58 -1.23 0.00 0.00 177.57 178.00 3g4r h VAL 94 N 0.07 1.24 -0.27 7.19 2.07 -0.82 -2.18 116.25 123.56 3g4r h VAL 94 Ca -0.19 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 3g4r h VAL 94 Cb 1.99 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3g4r h VAL 94 CO 0.18 0.32 -0.09 -0.33 0.02 0.00 0.00 177.57 177.66 3g4r h GLU 95 N 0.88 0.43 -0.07 1.57 5.08 -1.16 0.25 114.58 121.56 3g4r h GLU 95 Ca 0.20 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3g4r h GLU 95 Cb 0.29 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3g4r h GLU 95 CO -0.01 0.54 0.03 -0.22 -1.00 0.00 0.00 179.01 178.35 3g4r h LYS 96 N 0.41 0.10 0.00 2.33 3.11 -1.23 -2.28 116.57 119.02 3g4r h LYS 96 Ca 0.08 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 3g4r h LYS 96 Cb 0.42 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 3g4r h LYS 96 CO 0.02 0.23 -0.23 0.74 -2.81 0.00 0.00 179.45 177.40 3g4r h PHE 97 N -0.04 0.00 -0.52 1.91 0.04 -1.13 -2.78 116.94 114.42 3g4r h PHE 97 Ca 0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3g4r h PHE 97 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 3g4r h PHE 97 CO -0.02 0.23 0.06 0.00 -0.60 0.00 0.00 178.31 177.98 3g4r h ALA 98 N 1.77 0.70 -0.99 2.45 0.00 -0.60 -2.68 119.26 119.92 3g4r h ALA 98 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3g4r h ALA 98 Cb 0.69 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3g4r h ALA 98 CO 0.03 0.46 0.65 0.28 0.00 0.00 0.00 179.25 180.67 3g4r h VAL 99 N 0.76 1.21 -0.19 0.00 2.07 -1.14 0.21 116.25 119.18 3g4r h VAL 99 Ca 0.16 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3g4r h VAL 99 Cb 0.44 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3g4r h VAL 99 CO 0.02 0.23 0.13 0.78 0.02 0.00 0.00 177.57 178.75 3g4r h ASN 100 N 1.29 0.04 0.27 0.57 -0.26 -1.39 -1.73 115.58 114.37 3g4r h ASN 100 Ca 0.38 -0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.79 3g4r h ASN 100 Cb -0.06 -0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.13 3g4r h ASN 100 CO -0.10 0.03 -2.01 1.41 -1.06 0.00 0.00 177.43 175.70 3g4r n HIS 101 N -4.49 0.61 -0.29 1.19 8.25 -0.29 -4.04 115.22 116.16 3g4r n HIS 101 Ca 0.01 0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.63 3g4r n HIS 101 Cb 0.23 -1.11 0.09 0.00 1.12 0.00 0.00 29.99 30.32 3g4r n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3g4r h ILE 102 N 0.00 1.26 0.00 1.59 2.04 -0.33 -1.49 117.51 120.58 3g4r h ILE 102 Ca -0.40 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 3g4r h ILE 102 Cb 2.10 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3g4r h ILE 102 CO 0.05 0.32 -0.07 0.71 0.00 0.00 0.00 178.15 179.16 3g4r h THR 103 N 1.17 0.40 -0.63 -0.27 1.35 -1.48 -0.93 112.91 112.51 3g4r h THR 103 Ca 0.27 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3g4r h THR 103 Cb 0.16 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3g4r h THR 103 CO -0.03 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.85 3g4r n ARG 104 N -3.50 2.48 -3.16 4.72 3.00 -0.69 -4.95 116.66 114.56 3g4r n ARG 104 Ca -0.02 -2.28 -0.20 0.00 -0.01 0.00 0.00 57.85 55.34 3g4r n ARG 104 Cb 0.20 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.21 3g4r n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3g4r n LYS 105 N 1.34 -5.49 -3.20 5.56 4.76 -0.35 -4.98 118.16 115.80 3g4r n LYS 105 Ca 0.21 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 56.00 3g4r n LYS 105 Cb 0.54 -5.40 -0.07 0.00 -1.84 0.00 0.00 35.03 28.26 3g4r n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g4r s ILE 106 N -3.18 5.00 0.78 -0.18 -1.09 -0.65 -5.03 121.20 116.85 3g4r s ILE 106 Ca 0.38 0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 59.32 3g4r s ILE 106 Cb -0.17 -3.94 0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3g4r s ILE 106 CO 0.47 -0.11 1.12 -0.94 -1.23 0.00 0.00 174.94 174.25 3g4r s SER 107 N 1.68 4.78 0.25 3.58 1.04 -1.26 -4.54 113.70 119.23 3g4r s SER 107 Ca 0.21 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 57.64 3g4r s SER 107 Cb -0.15 -1.73 0.27 0.00 0.10 0.00 0.00 66.02 64.51 3g4r s SER 107 CO 0.12 -1.76 1.91 0.00 0.98 0.00 0.00 173.24 174.49 3g4r h ALA 108 N -0.95 1.25 -0.48 5.32 0.00 -1.88 -0.41 119.26 122.12 3g4r h ALA 108 Ca -0.46 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3g4r h ALA 108 Cb 1.29 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3g4r h ALA 108 CO 0.63 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.59 3g4r h ALA 109 N 1.35 0.64 -0.38 0.00 0.00 -1.95 -2.32 119.26 116.59 3g4r h ALA 109 Ca 0.34 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3g4r h ALA 109 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3g4r h ALA 109 CO -0.07 0.39 -0.16 0.93 0.00 0.00 0.00 179.25 180.35 3g4r h GLU 110 N 0.67 0.69 -0.44 0.00 5.08 -1.82 -2.51 114.58 116.26 3g4r h GLU 110 Ca 0.14 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3g4r h GLU 110 Cb 0.43 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3g4r h GLU 110 CO 0.01 0.81 0.10 0.35 -1.00 0.00 0.00 179.01 179.29 3g4r h PHE 111 N 0.62 0.66 0.00 4.33 3.04 -0.90 -1.76 116.94 122.92 3g4r h PHE 111 Ca 0.10 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3g4r h PHE 111 Cb 0.62 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.93 3g4r h PHE 111 CO 0.03 0.57 0.00 0.41 -2.02 0.00 0.00 178.31 177.30 3g4r n GLY 112 N -0.97 -0.86 0.22 2.40 0.00 -0.89 -2.26 105.19 102.83 3g4r n GLY 112 Ca 0.03 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3g4r n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4r h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.33 -2.03 116.57 116.38 3g4r h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4r h LYS 113 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3g4r h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 3g4r h ILE 114 N 0.00 0.00 -0.35 1.86 6.09 -1.66 -3.18 117.51 120.27 3g4r h ILE 114 Ca 0.00 -0.38 -0.03 0.00 -1.37 0.00 0.00 64.86 63.08 3g4r h ILE 114 Cb 0.17 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 3g4r h ILE 114 CO 0.00 0.00 0.08 0.78 -3.07 0.00 0.00 178.15 175.94 3g4r h ASN 115 N 0.00 0.46 0.33 2.19 2.35 -1.61 -1.38 115.58 117.91 3g4r h ASN 115 Ca 0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3g4r h ASN 115 Cb 0.48 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3g4r h ASN 115 CO 0.00 0.47 -0.16 1.23 -1.65 0.00 0.00 177.43 177.33 3g4r h GLY 116 N 0.74 -0.46 0.90 2.83 0.00 -1.78 -1.44 103.07 103.85 3g4r h GLY 116 Ca 0.12 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.67 3g4r h GLY 116 CO -0.00 -0.17 0.61 -2.55 0.00 0.00 0.00 176.54 174.43 3g4r h PRO 117 N -0.67 1.09 -0.48 4.80 0.11 -1.71 -1.95 132.00 133.19 3g4r h PRO 117 Ca -0.05 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3g4r h PRO 117 Cb 0.47 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3g4r h PRO 117 CO 0.07 0.72 0.29 0.82 -0.21 0.00 0.00 178.00 179.70 3g4r h ILE 118 N 1.13 1.15 -0.95 4.15 2.04 -1.14 -0.37 117.51 123.52 3g4r h ILE 118 Ca 0.38 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3g4r h ILE 118 Cb 0.09 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3g4r h ILE 118 CO -0.13 0.15 0.61 0.50 0.00 0.00 0.00 178.15 179.28 3g4r h LYS 119 N 0.64 1.26 -0.37 2.37 3.64 -0.55 -0.97 116.57 122.59 3g4r h LYS 119 Ca 0.17 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 3g4r h LYS 119 Cb -0.01 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 3g4r h LYS 119 CO -0.03 0.85 -0.39 0.87 -2.27 0.00 0.00 179.45 178.48 3g4r h LYS 120 N 1.29 0.89 -0.55 1.90 1.57 -0.89 -1.39 116.57 119.39 3g4r h LYS 120 Ca 0.34 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3g4r h LYS 120 Cb -0.12 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3g4r h LYS 120 CO -0.07 1.11 -0.12 0.28 -0.57 0.00 0.00 179.45 180.09 3g4r h VAL 121 N 0.73 1.27 -0.54 0.50 2.07 -0.83 -2.17 116.25 117.27 3g4r h VAL 121 Ca 0.06 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3g4r h VAL 121 Cb 0.97 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3g4r h VAL 121 CO 0.09 0.45 0.30 -0.07 0.02 0.00 0.00 177.57 178.37 3g4r h LEU 122 N 0.93 0.68 -1.80 2.57 3.38 -1.10 -2.57 115.31 117.40 3g4r h LEU 122 Ca 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g4r h LEU 122 Cb 0.69 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3g4r h LEU 122 CO 0.05 0.57 -0.12 0.00 0.09 0.00 0.00 178.44 179.04 3g4r h ALA 123 N 1.13 1.76 0.00 1.53 0.00 -0.99 -1.06 119.26 121.63 3g4r h ALA 123 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3g4r h ALA 123 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g4r h ALA 123 CO -0.03 0.15 -0.04 0.66 0.00 0.00 0.00 179.25 179.99 3g4r h SER 124 N 0.00 0.00 -0.28 0.00 4.64 -0.96 -1.16 113.55 115.79 3g4r h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4r h SER 124 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3g4r h SER 124 CO 0.02 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3g4r n LYS 125 N -3.29 2.87 -1.99 4.77 4.76 -0.67 -4.98 118.16 119.63 3g4r n LYS 125 Ca -0.02 -2.55 -0.12 0.00 -2.87 0.00 0.00 58.31 52.76 3g4r n LYS 125 Cb 0.19 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.73 3g4r n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3g4r n ASN 126 N -0.19 -3.90 -4.57 4.39 5.03 -0.44 -5.01 115.26 110.58 3g4r n ASN 126 Ca 0.18 0.07 -0.40 0.00 0.87 0.00 0.00 54.58 55.29 3g4r n ASN 126 Cb 0.72 -2.94 -0.09 0.00 -1.02 0.00 0.00 39.78 36.45 3g4r n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3g4r s PHE 127 N -2.54 3.22 0.00 3.10 0.08 -0.49 -4.97 117.98 116.38 3g4r s PHE 127 Ca 0.00 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3g4r s PHE 127 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3g4r s PHE 127 CO 0.00 -0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.17 3g4r n GLY 128 N 4.89 -0.82 0.38 4.36 0.00 -1.26 -3.32 105.19 109.40 3g4r n GLY 128 Ca -0.09 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.41 3g4r n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g4r h ASP 129 N 0.00 0.57 -0.97 1.61 3.32 -1.97 -1.42 116.42 117.56 3g4r h ASP 129 Ca 0.00 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3g4r h ASP 129 Cb 0.00 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 3g4r h ASP 129 CO 0.00 0.28 0.63 0.50 -1.72 0.00 0.00 179.24 178.93 3g4r h LYS 130 N 0.60 1.18 -0.14 3.56 3.64 -1.99 0.11 116.57 123.53 3g4r h LYS 130 Ca 0.43 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.53 3g4r h LYS 130 Cb 0.79 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3g4r h LYS 130 CO -0.18 0.78 -0.74 1.88 -2.27 0.00 0.00 179.45 178.92 3g4r h TYR 131 N 1.22 0.89 -0.60 1.91 0.05 -1.61 -2.12 116.97 116.71 3g4r h TYR 131 Ca 0.39 -0.39 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3g4r h TYR 131 Cb 0.01 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3g4r h TYR 131 CO -0.01 1.19 0.15 0.00 -1.05 0.00 0.00 178.16 178.45 3g4r h ALA 132 N 0.70 1.13 -0.45 3.88 0.00 -0.82 -1.21 119.26 122.50 3g4r h ALA 132 Ca -0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3g4r h ALA 132 Cb 1.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3g4r h ALA 132 CO 0.14 0.59 -0.10 -0.91 0.00 0.00 0.00 179.25 178.97 3g4r h ASN 133 N 0.90 0.80 -0.27 0.00 -0.26 -0.70 -0.95 115.58 115.10 3g4r h ASN 133 Ca 0.19 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3g4r h ASN 133 Cb 0.31 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 3g4r h ASN 133 CO -0.00 0.93 0.11 0.00 -1.06 0.00 0.00 177.43 177.41 3g4r h ALA 134 N 1.15 0.35 -0.18 -0.83 0.00 -0.74 -2.32 119.26 116.69 3g4r h ALA 134 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3g4r h ALA 134 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g4r h ALA 134 CO 0.04 -0.06 -0.17 -1.49 0.00 0.00 0.00 179.25 177.57 3g4r h TRP 135 N 0.29 0.33 -0.13 0.00 4.06 -1.01 -2.08 115.95 117.39 3g4r h TRP 135 Ca 0.09 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 3g4r h TRP 135 Cb 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3g4r h TRP 135 CO -0.01 0.47 -0.17 0.00 -3.56 0.00 0.00 178.44 175.17 3g4r h ALA 136 N 1.55 1.48 -0.24 1.49 0.00 -0.82 -0.48 119.26 122.24 3g4r h ALA 136 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3g4r h ALA 136 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3g4r h ALA 136 CO 0.03 0.37 -0.37 0.87 0.00 0.00 0.00 179.25 180.15 3g4r h LYS 137 N 0.20 0.53 -0.25 0.00 1.57 -0.85 -0.68 116.57 117.10 3g4r h LYS 137 Ca 0.04 -0.25 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 3g4r h LYS 137 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3g4r h LYS 137 CO 0.03 0.82 -0.61 1.25 -0.57 0.00 0.00 179.45 180.36 3g4r h LEU 138 N 0.44 0.96 -1.30 2.94 5.85 -1.08 -2.78 115.31 120.35 3g4r h LEU 138 Ca 0.04 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 3g4r h LEU 138 Cb 0.85 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3g4r h LEU 138 CO 0.07 1.35 0.12 0.58 -0.34 0.00 0.00 178.44 180.22 3g4r h VAL 139 N 0.63 1.18 0.00 1.05 2.07 -0.96 -1.55 116.25 118.67 3g4r h VAL 139 Ca -0.00 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3g4r h VAL 139 Cb 1.23 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3g4r h VAL 139 CO 0.13 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.85 3g4r h ALA 140 N 1.55 1.41 -0.47 1.67 0.00 -0.85 -0.95 119.26 121.62 3g4r h ALA 140 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3g4r h ALA 140 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3g4r h ALA 140 CO -0.01 0.13 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 3g4r h VAL 141 N 0.00 1.27 -0.33 0.00 2.07 -1.11 -1.68 116.25 116.48 3g4r h VAL 141 Ca -0.00 -1.41 -0.15 0.00 0.82 0.00 0.00 66.70 65.95 3g4r h VAL 141 Cb 0.25 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3g4r h VAL 141 CO 0.01 0.49 -0.41 0.58 0.02 0.00 0.00 177.57 178.26 3g4r h VAL 142 N 0.85 1.28 0.00 2.57 2.07 -1.26 -2.84 116.25 118.92 3g4r h VAL 142 Ca 0.10 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 3g4r h VAL 142 Cb 0.83 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3g4r h VAL 142 CO 0.07 0.52 -0.07 1.56 0.02 0.00 0.00 177.57 179.67 3g4r h GLN 143 N 0.65 0.00 0.00 1.57 4.20 -0.97 -0.33 115.11 120.23 3g4r h GLN 143 Ca 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3g4r h GLN 143 Cb 0.97 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 3g4r h GLN 143 CO 0.09 0.07 -0.01 0.00 -0.67 0.00 0.00 178.83 178.32 3g4r h ALA 144 N 1.93 1.01 -0.07 3.87 0.00 -1.05 -2.15 119.26 122.79 3g4r h ALA 144 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g4r h ALA 144 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g4r h ALA 144 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3g4r n ALA 145 N -2.09 2.47 0.62 0.00 0.00 -0.15 -4.59 120.51 116.77 3g4r n ALA 145 Ca -0.01 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.81 3g4r n ALA 145 Cb 0.23 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.89 3g4r n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78