#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3deh n ASN 35 N 0.00 3.80 -3.82 1.67 5.03 -1.26 -4.98 115.26 115.70 3deh n ASN 35 Ca 0.00 -2.09 -0.12 0.00 0.87 0.00 0.00 54.58 53.24 3deh n ASN 35 Cb 0.00 -0.43 -0.12 0.00 -1.02 0.00 0.00 39.78 38.21 3deh n ASN 35 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3deh s SER 36 N -1.01 -0.15 0.32 6.41 1.04 -1.26 -0.42 113.70 118.62 3deh s SER 36 Ca 0.42 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.84 3deh s SER 36 Cb 0.23 0.33 -0.13 0.00 0.10 0.00 0.00 66.02 66.56 3deh s SER 36 CO 0.27 -0.10 1.29 -1.22 0.98 0.00 0.00 173.24 174.46 3deh n TYR 37 N 2.78 2.18 -2.11 5.02 4.01 -0.30 -4.89 117.16 123.85 3deh n TYR 37 Ca -0.14 0.54 -0.43 0.00 -0.16 0.00 0.00 57.90 57.71 3deh n TYR 37 Cb 0.58 -2.41 -0.03 0.00 -0.31 0.00 0.00 39.34 37.18 3deh n TYR 37 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3deh s LYS 38 N -1.56 3.63 0.00 -0.72 2.20 -1.26 -4.79 119.74 117.25 3deh s LYS 38 Ca 0.58 1.49 0.11 0.00 -0.36 0.00 0.00 55.97 57.80 3deh s LYS 38 Cb -0.59 -4.08 0.22 0.00 -1.51 0.00 0.00 37.83 31.86 3deh s LYS 38 CO 0.60 -1.49 1.09 -1.33 -0.36 0.00 0.00 175.35 173.85 3deh n MET 39 N 7.94 1.86 -0.99 4.03 2.81 -1.26 -4.60 117.12 126.90 3deh n MET 39 Ca 0.20 -1.68 -0.13 0.00 -1.81 0.00 0.00 57.70 54.28 3deh n MET 39 Cb 0.46 -1.25 0.22 0.00 -0.71 0.00 0.00 33.22 31.94 3deh n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3deh n ASP 40 N 0.60 4.13 -4.70 7.83 5.68 -1.26 -4.82 116.55 124.00 3deh n ASP 40 Ca 0.10 -3.23 -0.33 0.00 -0.50 0.00 0.00 54.79 50.83 3deh n ASP 40 Cb 0.37 -0.76 0.13 0.00 -1.14 0.00 0.00 41.12 39.72 3deh n ASP 40 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3deh s TYR 41 N -2.79 1.79 0.24 2.11 1.51 -1.26 -4.91 117.35 114.04 3deh s TYR 41 Ca 0.49 1.69 -0.13 0.00 -1.01 0.00 0.00 57.07 58.11 3deh s TYR 41 Cb 0.40 -3.46 0.31 0.00 -0.11 0.00 0.00 41.96 39.11 3deh s TYR 41 CO 0.11 -2.83 1.58 -1.35 -1.11 0.00 0.00 175.55 171.95 3deh h PRO 42 N -1.03 -0.02 -6.31 -1.71 0.10 -1.92 -3.41 132.00 117.69 3deh h PRO 42 Ca -0.46 0.00 -0.67 0.00 0.10 0.00 0.00 66.00 64.97 3deh h PRO 42 Cb 1.29 0.01 -0.16 0.00 0.10 0.00 0.00 31.00 32.23 3deh h PRO 42 CO 0.46 -0.02 -0.70 -1.21 0.10 0.00 0.00 178.00 176.63 3deh s GLU 43 N -6.15 2.52 0.21 1.05 2.02 -0.25 -5.01 118.70 113.09 3deh s GLU 43 Ca -0.14 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 3deh s GLU 43 Cb 0.22 -2.49 0.16 0.00 0.10 0.00 0.00 34.13 32.12 3deh s GLU 43 CO 0.74 0.59 1.70 0.52 0.02 0.00 0.00 175.26 178.83 3deh h MET 44 N 4.35 1.02 0.00 1.61 2.86 -1.79 0.14 114.93 123.12 3deh h MET 44 Ca -0.48 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 3deh h MET 44 Cb 1.17 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3deh h MET 44 CO 0.54 0.96 0.00 0.41 1.06 0.00 0.00 176.91 179.89 3deh n GLY 45 N -0.56 1.31 3.80 8.32 0.00 -1.26 -0.92 105.19 115.88 3deh n GLY 45 Ca 0.04 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3deh n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3deh s LEU 46 N 0.00 3.56 -0.34 0.99 1.43 -1.26 0.18 118.68 123.24 3deh s LEU 46 Ca 0.00 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3deh s LEU 46 Cb 0.00 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.80 3deh s LEU 46 CO 0.00 -1.16 0.19 0.00 0.23 0.00 0.00 176.35 175.60 3deh s ILE 48 N 1.29 4.78 -0.35 0.00 1.09 -0.78 -2.17 121.20 125.06 3deh s ILE 48 Ca 0.15 1.80 -0.09 0.00 -1.10 0.00 0.00 60.65 61.41 3deh s ILE 48 Cb -0.21 -4.21 0.03 0.00 -1.06 0.00 0.00 42.46 37.00 3deh s ILE 48 CO -0.10 -0.09 0.16 -0.63 -0.10 0.00 0.00 174.94 174.17 3deh s ILE 49 N 2.77 4.26 -0.41 2.92 -1.09 -0.76 -0.48 121.20 128.42 3deh s ILE 49 Ca 0.40 -0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 57.76 3deh s ILE 49 Cb -0.16 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 3deh s ILE 49 CO 0.09 -0.16 0.38 -0.63 -1.23 0.00 0.00 174.94 173.38 3deh s ILE 50 N 1.50 5.16 -0.48 2.92 1.01 0.13 -0.85 121.20 130.59 3deh s ILE 50 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3deh s ILE 50 Cb -0.19 -3.97 0.13 0.00 0.01 0.00 0.00 42.46 38.44 3deh s ILE 50 CO 0.05 -0.34 0.28 0.21 0.00 0.00 0.00 174.94 175.15 3deh s ASN 51 N 1.76 5.27 -0.39 3.58 3.04 -0.05 -0.44 114.94 127.70 3deh s ASN 51 Ca 0.09 -2.29 -0.18 0.00 0.04 0.00 0.00 52.86 50.53 3deh s ASN 51 Cb -0.18 -1.84 0.01 0.00 -1.54 0.00 0.00 41.25 37.70 3deh s ASN 51 CO 0.12 -0.50 0.50 0.20 -3.04 0.00 0.00 177.10 174.39 3deh s ASN 52 N 1.50 6.27 -0.15 -4.21 0.01 0.57 -1.92 114.94 117.01 3deh s ASN 52 Ca 0.11 -0.30 -0.04 0.00 -0.71 0.00 0.00 52.86 51.92 3deh s ASN 52 Cb -0.22 -2.26 -0.08 0.00 0.41 0.00 0.00 41.25 39.10 3deh s ASN 52 CO -0.04 -0.56 -0.17 1.17 -1.51 0.00 0.00 177.10 175.99 3deh n LYS 53 N 5.78 0.35 -4.77 -0.60 4.81 -1.26 -4.41 118.16 118.05 3deh n LYS 53 Ca -0.05 0.12 -0.33 0.00 -0.87 0.00 0.00 58.31 57.18 3deh n LYS 53 Cb 0.48 -1.17 -0.14 0.00 0.02 0.00 0.00 35.03 34.22 3deh n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3deh s ASN 54 N -5.95 4.04 0.04 3.14 0.01 -1.26 -1.52 114.94 113.44 3deh s ASN 54 Ca -0.21 -0.31 0.08 0.00 -0.71 0.00 0.00 52.86 51.71 3deh s ASN 54 Cb 0.07 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 40.14 3deh s ASN 54 CO 0.31 0.18 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.51 3deh s PHE 55 N 0.26 2.49 0.68 2.20 0.40 -1.26 -4.76 117.98 117.99 3deh s PHE 55 Ca -0.09 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 3deh s PHE 55 Cb -0.15 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 3deh s PHE 55 CO 0.05 0.20 0.56 0.72 0.70 0.00 0.00 175.22 177.46 3deh n HIS 56 N 1.68 -0.66 -0.13 0.36 8.25 -0.67 -4.88 115.22 119.17 3deh n HIS 56 Ca -0.16 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3deh n HIS 56 Cb 0.52 -1.94 0.27 0.00 1.12 0.00 0.00 29.99 29.96 3deh n HIS 56 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3deh h LYS 57 N -0.19 0.81 -0.97 -0.41 1.79 -1.95 -2.88 116.57 112.77 3deh h LYS 57 Ca -0.46 -0.09 0.29 0.00 -2.18 0.00 0.00 60.65 58.22 3deh h LYS 57 Cb 1.36 -0.16 -0.15 0.00 -1.58 0.00 0.00 32.23 31.70 3deh h LYS 57 CO 0.44 0.61 0.49 0.77 -1.08 0.00 0.00 179.45 180.68 3deh h SER 58 N 0.82 0.40 0.62 0.86 0.02 -1.95 -1.17 113.55 113.15 3deh h SER 58 Ca 0.21 0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 61.17 3deh h SER 58 Cb 0.05 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3deh h SER 58 CO -0.03 -0.12 -0.78 0.71 -1.14 0.00 0.00 176.83 175.47 3deh h THR 59 N 0.32 1.50 -4.07 -2.27 1.35 -1.81 -3.47 112.91 104.45 3deh h THR 59 Ca 0.68 -2.49 -0.34 0.00 -0.55 0.00 0.00 66.41 63.71 3deh h THR 59 Cb 1.50 2.35 0.07 0.00 -1.73 0.00 0.00 68.15 70.34 3deh h THR 59 CO -0.61 0.72 -0.52 0.61 -0.25 0.00 0.00 175.52 175.47 3deh n GLY 60 N 0.66 -0.32 3.66 5.82 0.00 -0.44 -5.01 105.19 109.56 3deh n GLY 60 Ca -0.02 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3deh n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3deh s MET 61 N -5.63 3.31 1.06 1.61 -1.94 -1.26 -5.10 119.30 111.36 3deh s MET 61 Ca 0.30 -0.39 -0.12 0.00 -1.71 0.00 0.00 55.69 53.77 3deh s MET 61 Cb -0.13 -2.93 0.23 0.00 2.01 0.00 0.00 34.83 34.01 3deh s MET 61 CO 0.38 0.56 1.06 0.95 -0.01 0.00 0.00 175.02 177.96 3deh s THR 62 N -0.48 2.12 0.30 2.05 -4.23 -1.26 -4.61 115.64 109.53 3deh s THR 62 Ca 0.09 0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 3deh s THR 62 Cb -0.12 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 3deh s THR 62 CO 0.02 -0.05 0.80 -0.94 -0.54 0.00 0.00 174.62 173.91 3deh s SER 63 N -2.93 7.00 -1.04 3.99 1.04 -1.26 -4.72 113.70 115.78 3deh s SER 63 Ca 0.67 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 58.45 3deh s SER 63 Cb -0.22 -2.45 0.21 0.00 0.10 0.00 0.00 66.02 63.66 3deh s SER 63 CO 0.61 -0.12 1.12 -0.13 0.98 0.00 0.00 173.24 175.70 3deh s ARG 64 N -2.49 3.93 0.20 4.02 0.52 -0.58 -5.01 118.95 119.55 3deh s ARG 64 Ca 0.51 -2.62 -0.30 0.00 -0.52 0.00 0.00 55.73 52.80 3deh s ARG 64 Cb -0.14 -4.72 -0.08 0.00 0.52 0.00 0.00 34.95 30.53 3deh s ARG 64 CO 0.19 -1.48 1.19 -1.54 0.02 0.00 0.00 175.30 173.67 3deh s SER 65 N 2.32 7.10 0.00 0.23 1.04 -1.26 -2.98 113.70 120.15 3deh s SER 65 Ca 0.31 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.99 3deh s SER 65 Cb -0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3deh s SER 65 CO -0.06 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3deh n GLY 66 N 2.01 0.81 0.18 7.32 0.00 -1.24 -4.32 105.19 109.94 3deh n GLY 66 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3deh n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3deh h THR 67 N 0.00 1.34 0.00 2.61 1.03 -1.86 -2.81 112.91 113.22 3deh h THR 67 Ca 0.00 -1.68 -0.01 0.00 -0.01 0.00 0.00 66.41 64.71 3deh h THR 67 Cb 0.00 1.84 -0.00 0.00 -1.07 0.00 0.00 68.15 68.92 3deh h THR 67 CO 0.00 0.49 -0.07 0.44 -0.01 0.00 0.00 175.52 176.37 3deh h ASP 68 N 0.11 0.00 0.44 0.00 3.32 -1.93 -1.03 116.42 117.33 3deh h ASP 68 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3deh h ASP 68 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3deh h ASP 68 CO 0.07 0.07 -0.22 0.58 -1.72 0.00 0.00 179.24 178.02 3deh h VAL 69 N 0.00 0.55 -0.33 -1.35 2.07 -1.86 -1.63 116.25 113.70 3deh h VAL 69 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3deh h VAL 69 Cb 0.14 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 3deh h VAL 69 CO 0.01 0.00 -0.23 0.44 0.02 0.00 0.00 177.57 177.81 3deh h ASP 70 N -0.61 -0.77 -0.79 0.57 5.19 -1.35 0.26 116.42 118.93 3deh h ASP 70 Ca -0.06 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.52 3deh h ASP 70 Cb 0.47 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 3deh h ASP 70 CO 0.09 -0.26 0.52 0.00 -3.12 0.00 0.00 179.24 176.46 3deh h ALA 71 N 0.94 1.01 -0.27 3.45 0.00 -1.12 0.35 119.26 123.62 3deh h ALA 71 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3deh h ALA 71 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3deh h ALA 71 CO -0.45 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 3deh h ALA 72 N 1.30 0.37 -0.76 0.00 0.00 -0.97 0.17 119.26 119.37 3deh h ALA 72 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3deh h ALA 72 Cb -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3deh h ALA 72 CO -0.08 0.13 0.42 -0.97 0.00 0.00 0.00 179.25 178.75 3deh h ASN 73 N 0.27 0.94 0.33 0.00 -1.24 -0.53 -1.75 115.58 113.61 3deh h ASN 73 Ca 0.08 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3deh h ASN 73 Cb 0.45 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3deh h ASN 73 CO 0.02 0.76 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.68 3deh h LEU 74 N 1.07 -0.38 -0.67 0.34 3.38 -0.06 -1.93 115.31 117.05 3deh h LEU 74 Ca 0.27 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.27 3deh h LEU 74 Cb 0.02 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 3deh h LEU 74 CO -0.04 -0.09 0.06 -0.09 0.09 0.00 0.00 178.44 178.36 3deh h ARG 75 N -0.68 0.16 0.01 1.13 2.43 -0.84 0.40 114.38 117.00 3deh h ARG 75 Ca -0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3deh h ARG 75 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3deh h ARG 75 CO 0.08 0.11 -0.01 1.49 -1.51 0.00 0.00 179.97 180.13 3deh h GLU 76 N 0.17 -0.02 -0.56 0.20 4.57 -1.33 -1.24 114.58 116.37 3deh h GLU 76 Ca 0.37 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.65 3deh h GLU 76 Cb 0.61 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.12 3deh h GLU 76 CO -0.54 0.39 0.06 1.15 -1.18 0.00 0.00 179.01 178.90 3deh h THR 77 N -0.43 0.62 0.02 0.32 2.02 -0.88 -0.87 112.91 113.71 3deh h THR 77 Ca -0.00 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 3deh h THR 77 Cb 0.42 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3deh h THR 77 CO 0.00 0.03 -0.98 -0.26 0.37 0.00 0.00 175.52 174.69 3deh h PHE 78 N 0.19 0.53 -0.49 3.16 0.04 -0.93 -2.31 116.94 117.13 3deh h PHE 78 Ca 0.29 -0.30 0.09 0.00 2.80 0.00 0.00 57.97 60.85 3deh h PHE 78 Cb 0.43 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.45 3deh h PHE 78 CO -0.28 1.14 0.01 -0.09 -0.60 0.00 0.00 178.31 178.49 3deh h ARG 79 N 0.18 0.13 -0.67 1.51 2.43 -0.98 -1.05 114.38 115.93 3deh h ARG 79 Ca -0.08 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3deh h ARG 79 Cb 1.63 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.11 3deh h ARG 79 CO 0.16 0.08 0.44 -0.91 -1.51 0.00 0.00 179.97 178.24 3deh h ASN 80 N 0.13 0.69 0.16 -3.80 2.35 -0.92 0.81 115.58 114.99 3deh h ASN 80 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3deh h ASN 80 Cb 0.37 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3deh h ASN 80 CO -0.40 0.48 0.00 0.18 -1.65 0.00 0.00 177.43 176.04 3deh n LEU 81 N -4.46 0.00 0.00 1.61 4.77 -0.57 -4.91 117.00 113.45 3deh n LEU 81 Ca 0.08 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3deh n LEU 81 Cb 0.12 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3deh n LEU 81 CO 0.35 -0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.70 3deh n LYS 82 N -1.08 0.00 -3.24 3.23 4.01 0.28 -4.94 118.16 116.42 3deh n LYS 82 Ca 0.20 0.14 -0.35 0.00 -0.51 0.00 0.00 58.31 57.80 3deh n LYS 82 Cb 0.14 -3.49 -0.06 0.00 -0.51 0.00 0.00 35.03 31.11 3deh n LYS 82 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3deh s TYR 83 N -2.00 3.56 -1.02 2.13 1.51 -0.51 -4.05 117.35 116.97 3deh s TYR 83 Ca 0.00 1.18 -0.23 0.00 -1.01 0.00 0.00 57.07 57.01 3deh s TYR 83 Cb 0.00 -2.47 0.05 0.00 -0.11 0.00 0.00 41.96 39.43 3deh s TYR 83 CO 0.00 0.32 1.45 -2.00 -1.11 0.00 0.00 175.55 174.20 3deh s GLU 84 N -2.26 3.60 0.30 -0.62 2.12 0.13 -4.35 118.70 117.62 3deh s GLU 84 Ca 0.44 -1.17 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 3deh s GLU 84 Cb -0.14 -5.35 -0.10 0.00 0.26 0.00 0.00 34.13 28.80 3deh s GLU 84 CO 0.20 -2.20 1.11 0.08 -0.54 0.00 0.00 175.26 173.91 3deh s VAL 85 N 4.88 3.42 -0.12 3.70 1.01 -1.26 -1.69 120.40 130.35 3deh s VAL 85 Ca 0.46 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 3deh s VAL 85 Cb -0.00 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.55 3deh s VAL 85 CO -0.09 0.30 0.05 -0.13 0.00 0.00 0.00 175.10 175.23 3deh s ARG 86 N -1.60 0.24 -0.21 2.72 0.52 -0.92 -4.92 118.95 114.77 3deh s ARG 86 Ca 0.46 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.55 3deh s ARG 86 Cb -0.32 -1.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 3deh s ARG 86 CO 0.41 -0.50 0.32 -0.80 0.02 0.00 0.00 175.30 174.75 3deh s ASN 87 N 2.06 6.35 -0.06 0.23 -0.87 -1.26 -1.82 114.94 119.57 3deh s ASN 87 Ca 0.03 0.41 0.04 0.00 -1.57 0.00 0.00 52.86 51.76 3deh s ASN 87 Cb -0.14 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 38.87 3deh s ASN 87 CO -0.06 -0.02 -0.17 -0.54 -2.57 0.00 0.00 177.10 173.73 3deh s LYS 88 N 1.16 2.57 -0.04 -0.60 -0.14 -0.03 -4.99 119.74 117.68 3deh s LYS 88 Ca 0.16 -0.76 0.06 0.00 -1.36 0.00 0.00 55.97 54.07 3deh s LYS 88 Cb -0.14 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.65 3deh s LYS 88 CO 0.07 0.52 -0.21 -0.80 -0.76 0.00 0.00 175.35 174.17 3deh s ASN 89 N -0.49 3.46 -0.70 2.83 0.01 -1.26 -0.87 114.94 117.92 3deh s ASN 89 Ca 0.06 -0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 3deh s ASN 89 Cb -0.12 -0.63 0.02 0.00 0.41 0.00 0.00 41.25 40.93 3deh s ASN 89 CO 0.01 0.32 0.63 0.47 -1.51 0.00 0.00 177.10 177.02 3deh n ASP 90 N 2.47 -5.42 -4.88 -1.22 10.43 -0.81 -4.95 116.55 112.18 3deh n ASP 90 Ca -0.17 -0.61 -0.37 0.00 2.57 0.00 0.00 54.79 56.22 3deh n ASP 90 Cb 0.52 -2.14 -0.06 0.00 1.84 0.00 0.00 41.12 41.27 3deh n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3deh s LEU 91 N -4.10 4.39 0.87 0.64 1.43 -1.26 -4.88 118.68 115.76 3deh s LEU 91 Ca 0.12 0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 3deh s LEU 91 Cb -0.01 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.20 3deh s LEU 91 CO 0.87 0.40 1.10 0.42 0.23 0.00 0.00 176.35 179.36 3deh s THR 92 N -1.06 2.73 0.36 5.49 -4.23 -1.26 -0.27 115.64 117.40 3deh s THR 92 Ca 0.16 0.24 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 3deh s THR 92 Cb -0.12 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.24 3deh s THR 92 CO 0.05 -0.31 1.87 0.08 -0.54 0.00 0.00 174.62 175.77 3deh h ARG 93 N -1.42 0.66 -0.28 3.99 0.11 -1.85 -0.61 114.38 114.97 3deh h ARG 93 Ca -0.49 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.38 3deh h ARG 93 Cb 1.28 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 3deh h ARG 93 CO 0.56 0.44 -0.51 0.93 0.10 0.00 0.00 179.97 181.49 3deh h GLU 94 N 0.68 0.79 -0.68 0.08 3.07 -1.96 -2.56 114.58 114.00 3deh h GLU 94 Ca 0.45 -0.48 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3deh h GLU 94 Cb 0.74 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 3deh h GLU 94 CO -0.21 1.11 0.35 0.93 -1.40 0.00 0.00 179.01 179.79 3deh h GLU 95 N 0.61 0.96 0.51 2.33 5.08 -1.57 -0.02 114.58 122.48 3deh h GLU 95 Ca 0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3deh h GLU 95 Cb 1.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3deh h GLU 95 CO 0.11 0.74 -0.47 0.82 -1.00 0.00 0.00 179.01 179.21 3deh h ILE 96 N 0.94 0.07 -0.21 3.13 1.08 -1.13 0.42 117.51 121.80 3deh h ILE 96 Ca 0.24 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.76 3deh h ILE 96 Cb 0.08 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 33.82 3deh h ILE 96 CO -0.03 0.00 -0.29 0.58 -0.69 0.00 0.00 178.15 177.72 3deh h VAL 97 N -0.98 0.32 -0.16 1.67 2.07 -1.29 -0.29 116.25 117.60 3deh h VAL 97 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3deh h VAL 97 Cb 0.85 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3deh h VAL 97 CO -0.04 0.00 -0.20 -0.33 0.02 0.00 0.00 177.57 177.02 3deh h GLU 98 N -0.31 -0.22 -0.68 1.57 4.39 -0.92 0.20 114.58 118.60 3deh h GLU 98 Ca 0.12 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.90 3deh h GLU 98 Cb 0.51 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 3deh h GLU 98 CO -0.39 -0.15 0.38 1.25 -1.16 0.00 0.00 179.01 178.94 3deh h LEU 99 N -0.23 0.57 -0.54 1.33 5.85 -0.47 0.18 115.31 121.99 3deh h LEU 99 Ca 0.11 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3deh h LEU 99 Cb 0.39 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3deh h LEU 99 CO -0.30 0.37 -0.21 0.24 -0.34 0.00 0.00 178.44 178.20 3deh h MET 100 N 0.70 0.95 -0.49 1.25 2.86 -0.38 -0.59 114.93 119.24 3deh h MET 100 Ca 0.30 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3deh h MET 100 Cb 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3deh h MET 100 CO -0.18 1.07 0.30 -0.09 1.06 0.00 0.00 176.91 179.06 3deh h ARG 101 N 0.82 0.66 0.56 1.72 2.43 -0.02 -0.35 114.38 120.21 3deh h ARG 101 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3deh h ARG 101 Cb 0.78 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3deh h ARG 101 CO 0.06 0.48 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.30 3deh h ASP 102 N 0.66 -0.63 -0.54 -3.80 3.45 -0.28 -2.40 116.42 112.88 3deh h ASP 102 Ca 0.18 0.00 0.08 0.00 0.43 0.00 0.00 57.03 57.72 3deh h ASP 102 Cb -0.01 0.16 -0.07 0.00 -0.56 0.00 0.00 39.33 38.85 3deh h ASP 102 CO -0.03 -0.42 0.17 0.58 -1.57 0.00 0.00 179.24 177.96 3deh h VAL 103 N -0.79 0.77 -0.15 -1.35 2.07 -1.11 -1.63 116.25 114.07 3deh h VAL 103 Ca -0.08 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3deh h VAL 103 Cb 0.59 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3deh h VAL 103 CO 0.13 0.06 0.13 0.77 0.02 0.00 0.00 177.57 178.68 3deh h SER 104 N 0.33 0.00 0.23 0.57 4.64 -0.87 -0.82 113.55 117.62 3deh h SER 104 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3deh h SER 104 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3deh h SER 104 CO -0.30 0.00 -0.40 0.29 -0.87 0.00 0.00 176.83 175.55 3deh n LYS 105 N -4.08 0.67 -0.65 4.77 5.02 -0.64 -4.76 118.16 118.48 3deh n LYS 105 Ca 0.01 -0.44 -0.28 0.00 -2.02 0.00 0.00 58.31 55.57 3deh n LYS 105 Cb 0.25 -1.49 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 3deh n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3deh s GLU 106 N -2.64 -0.82 -0.41 1.97 2.02 -0.32 -4.99 118.70 113.52 3deh s GLU 106 Ca 0.19 0.74 -0.11 0.00 0.02 0.00 0.00 54.97 55.81 3deh s GLU 106 Cb 0.18 -1.57 0.06 0.00 0.10 0.00 0.00 34.13 32.90 3deh s GLU 106 CO 0.59 -3.63 0.26 0.34 0.02 0.00 0.00 175.26 172.84 3deh s ASP 107 N -2.69 5.74 -0.19 -0.19 3.68 -1.26 -4.92 116.67 116.84 3deh s ASP 107 Ca 0.68 -1.32 0.13 0.00 2.13 0.00 0.00 52.55 54.17 3deh s ASP 107 Cb -0.24 -2.03 0.71 0.00 -1.45 0.00 0.00 42.92 39.91 3deh s ASP 107 CO 0.64 -0.51 1.58 1.41 0.13 0.00 0.00 175.17 178.42 3deh n HIS 108 N 4.99 1.75 -0.33 -5.34 8.25 -1.26 -4.51 115.22 118.76 3deh n HIS 108 Ca -0.11 -0.62 0.08 0.00 -0.26 0.00 0.00 57.72 56.81 3deh n HIS 108 Cb 0.44 -0.43 0.24 0.00 1.12 0.00 0.00 29.99 31.36 3deh n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3deh h SER 109 N 3.52 0.75 -0.35 0.41 0.02 -1.93 -1.59 113.55 114.38 3deh h SER 109 Ca 0.00 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3deh h SER 109 Cb 1.73 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 64.16 3deh h SER 109 CO 0.40 0.35 0.09 0.29 -1.14 0.00 0.00 176.83 176.82 3deh n LYS 110 N -4.74 2.68 -4.80 3.45 5.02 -1.26 -4.89 118.16 113.61 3deh n LYS 110 Ca 0.19 -1.61 -0.26 0.00 -2.02 0.00 0.00 58.31 54.60 3deh n LYS 110 Cb 0.41 -1.83 -0.16 0.00 -0.02 0.00 0.00 35.03 33.43 3deh n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3deh s ARG 111 N -1.86 1.85 0.22 1.97 0.52 -0.60 -1.09 118.95 119.96 3deh s ARG 111 Ca 0.29 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 3deh s ARG 111 Cb 0.22 -1.57 0.19 0.00 0.52 0.00 0.00 34.95 34.32 3deh s ARG 111 CO 0.08 0.19 1.54 0.77 0.02 0.00 0.00 175.30 177.89 3deh h SER 112 N 6.45 0.45 -3.07 0.23 0.02 -0.50 -3.48 113.55 113.64 3deh h SER 112 Ca -0.31 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.30 3deh h SER 112 Cb 1.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3deh h SER 112 CO 0.48 0.92 0.13 -1.54 -1.14 0.00 0.00 176.83 175.68 3deh n SER 113 N -3.93 -1.82 -3.81 3.07 3.41 -0.09 -4.31 113.62 106.14 3deh n SER 113 Ca -0.03 -2.52 -0.13 0.00 -0.26 0.00 0.00 58.87 55.94 3deh n SER 113 Cb 0.60 3.10 -0.14 0.00 -0.26 0.00 0.00 64.21 67.51 3deh n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3deh s PHE 114 N -2.96 -0.10 -0.01 7.33 5.36 -0.90 -4.16 117.98 122.54 3deh s PHE 114 Ca 0.18 0.29 0.06 0.00 -0.96 0.00 0.00 56.93 56.50 3deh s PHE 114 Cb -0.03 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 3deh s PHE 114 CO 0.13 -0.08 -0.18 0.08 -1.46 0.00 0.00 175.22 173.71 3deh s VAL 115 N 0.44 1.42 -0.09 3.12 1.01 -0.70 -0.44 120.40 125.17 3deh s VAL 115 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3deh s VAL 115 Cb -0.05 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3deh s VAL 115 CO -0.02 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.50 3deh s VAL 117 N 2.03 4.34 -0.19 0.00 1.01 0.36 -0.84 120.40 127.11 3deh s VAL 117 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3deh s VAL 117 Cb -0.13 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3deh s VAL 117 CO -0.05 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.64 3deh s LEU 118 N 0.83 2.86 -0.23 3.92 1.43 0.39 -0.69 118.68 127.18 3deh s LEU 118 Ca 0.02 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3deh s LEU 118 Cb -0.14 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.44 3deh s LEU 118 CO 0.02 0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.81 3deh s LEU 119 N 1.06 2.75 0.00 1.79 1.43 0.42 -1.21 118.68 124.91 3deh s LEU 119 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 3deh s LEU 119 Cb -0.15 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.78 3deh s LEU 119 CO -0.01 -0.20 0.00 -0.24 0.23 0.00 0.00 176.35 176.13 3deh n SER 120 N 4.61 0.00 -4.73 2.29 2.88 -0.99 -0.31 113.62 117.36 3deh n SER 120 Ca -0.13 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.10 3deh n SER 120 Cb 0.44 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.02 3deh n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3deh s HIS 121 N -2.00 2.20 0.22 0.66 3.76 -1.26 -4.06 115.29 114.80 3deh s HIS 121 Ca 0.00 1.65 -0.21 0.00 -0.15 0.00 0.00 55.06 56.34 3deh s HIS 121 Cb 0.00 -3.19 0.07 0.00 1.11 0.00 0.00 32.58 30.57 3deh s HIS 121 CO 0.00 -2.21 0.98 0.20 -0.85 0.00 0.00 174.74 172.86 3deh s GLY 122 N -2.99 0.11 0.26 -2.22 0.00 -1.26 -0.86 107.32 100.36 3deh s GLY 122 Ca 0.64 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3deh s GLY 122 CO 0.55 1.57 0.23 -0.54 0.00 0.00 0.00 173.10 174.91 3deh s GLU 123 N -2.37 1.47 -0.35 2.90 2.02 -0.31 -4.39 118.70 117.68 3deh s GLU 123 Ca 0.19 -1.76 -0.40 0.00 0.02 0.00 0.00 54.97 53.02 3deh s GLU 123 Cb -0.03 0.31 -0.15 0.00 0.10 0.00 0.00 34.13 34.36 3deh s GLU 123 CO 0.06 -0.53 1.91 -1.91 0.02 0.00 0.00 175.26 174.81 3deh n GLU 124 N -0.42 0.88 -0.87 1.61 4.07 -1.11 -0.32 120.64 124.48 3deh n GLU 124 Ca 0.04 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 3deh n GLU 124 Cb 0.64 -2.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 3deh n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3deh n GLY 125 N 5.27 0.89 2.99 8.31 0.00 -1.26 -5.00 105.19 116.39 3deh n GLY 125 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 3deh n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3deh s ILE 126 N -3.54 0.53 0.24 -0.61 1.01 0.57 -1.09 121.20 118.31 3deh s ILE 126 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.40 3deh s ILE 126 Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 3deh s ILE 126 CO 0.00 0.10 -0.18 0.27 0.00 0.00 0.00 174.94 175.13 3deh s ILE 127 N -0.27 2.63 -0.22 2.92 -5.25 -0.86 -1.16 121.20 118.99 3deh s ILE 127 Ca 0.01 -2.15 -0.09 0.00 -0.99 0.00 0.00 60.65 57.43 3deh s ILE 127 Cb -0.03 -2.34 -0.04 0.00 2.95 0.00 0.00 42.46 42.99 3deh s ILE 127 CO -0.00 -0.28 0.11 -0.36 -1.79 0.00 0.00 174.94 172.62 3deh s PHE 128 N -2.14 3.26 1.24 1.37 0.08 -0.04 -1.57 117.98 120.17 3deh s PHE 128 Ca 0.27 0.08 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 3deh s PHE 128 Cb -0.06 -2.19 0.30 0.00 -0.57 0.00 0.00 43.02 40.49 3deh s PHE 128 CO 0.14 0.04 1.03 0.20 -0.10 0.00 0.00 175.22 176.54 3deh s GLY 129 N 0.86 1.52 0.48 4.36 0.00 0.31 -4.67 107.32 110.18 3deh s GLY 129 Ca 0.06 -0.67 0.23 0.00 0.00 0.00 0.00 44.72 44.33 3deh s GLY 129 CO 0.03 0.18 1.99 -0.91 0.00 0.00 0.00 173.10 174.39 3deh h THR 130 N -2.76 0.77 0.00 0.90 1.35 -0.90 -3.13 112.91 109.13 3deh h THR 130 Ca -0.50 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3deh h THR 130 Cb 1.32 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3deh h THR 130 CO 0.39 0.18 -0.99 -0.46 -0.25 0.00 0.00 175.52 174.39 3deh n ASN 131 N -3.79 0.91 0.00 5.36 6.94 -1.26 -1.67 115.26 121.76 3deh n ASN 131 Ca -0.02 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 3deh n ASN 131 Cb 0.29 1.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.76 3deh n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3deh n GLY 132 N 1.47 -1.52 3.83 4.83 0.00 -1.18 -4.78 105.19 107.82 3deh n GLY 132 Ca 0.03 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 3deh n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3deh s PRO 133 N -1.99 4.15 -0.03 1.61 0.04 -1.26 -0.53 135.00 136.98 3deh s PRO 133 Ca 0.00 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.82 3deh s PRO 133 Cb 0.00 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 3deh s PRO 133 CO 0.00 0.41 -0.16 0.08 0.04 0.00 0.00 177.00 177.38 3deh s VAL 134 N -1.52 1.29 0.11 -0.36 1.01 -0.61 -4.89 120.40 115.44 3deh s VAL 134 Ca 0.42 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3deh s VAL 134 Cb -0.16 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 3deh s VAL 134 CO 0.20 0.38 1.18 -1.81 0.00 0.00 0.00 175.10 175.05 3deh s ASP 135 N -0.03 7.11 0.34 3.32 -0.00 -1.26 -2.04 116.67 124.11 3deh s ASP 135 Ca -0.01 2.09 0.06 0.00 -0.00 0.00 0.00 52.55 54.68 3deh s ASP 135 Cb -0.10 -2.59 0.72 0.00 -0.00 0.00 0.00 42.92 40.95 3deh s ASP 135 CO 0.01 -0.41 1.89 -0.07 -0.00 0.00 0.00 175.17 176.59 3deh h LEU 136 N 6.11 0.73 -1.77 1.23 3.38 -1.46 -1.26 115.31 122.27 3deh h LEU 136 Ca -0.43 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3deh h LEU 136 Cb 1.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3deh h LEU 136 CO 0.78 0.41 -0.02 0.50 0.09 0.00 0.00 178.44 180.20 3deh h LYS 137 N 0.80 0.12 -0.22 1.13 1.63 -1.91 0.22 116.57 118.34 3deh h LYS 137 Ca 0.42 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.12 3deh h LYS 137 Cb 0.53 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 3deh h LYS 137 CO -0.19 0.15 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.54 3deh h LYS 138 N 0.12 0.52 -0.29 1.90 3.64 -1.62 -0.98 116.57 119.87 3deh h LYS 138 Ca 0.03 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.01 3deh h LYS 138 Cb 0.12 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3deh h LYS 138 CO 0.00 0.85 -0.35 -0.84 -2.27 0.00 0.00 179.45 176.85 3deh h ILE 139 N 0.21 1.29 0.00 2.00 -0.00 -1.18 -3.21 117.51 116.62 3deh h ILE 139 Ca 0.04 -1.49 -0.07 0.00 -0.00 0.00 0.00 64.86 63.33 3deh h ILE 139 Cb 0.76 1.45 -0.01 0.00 -0.00 0.00 0.00 36.82 39.01 3deh h ILE 139 CO 0.05 0.48 -0.35 0.71 -0.00 0.00 0.00 178.15 179.04 3deh h THR 140 N 0.53 0.64 0.00 0.16 1.35 -0.55 -3.27 112.91 111.77 3deh h THR 140 Ca 0.06 -1.78 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 3deh h THR 140 Cb 0.85 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 69.49 3deh h THR 140 CO 0.07 0.35 -0.21 0.78 -0.25 0.00 0.00 175.52 176.26 3deh h ASN 141 N 0.00 0.00 0.00 5.36 2.35 -1.17 -2.55 115.58 119.57 3deh h ASN 141 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3deh h ASN 141 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3deh h ASN 141 CO 0.05 0.21 0.04 0.49 -1.65 0.00 0.00 177.43 176.57 3deh n PHE 142 N -3.81 0.68 0.19 1.19 3.72 -1.24 -1.93 117.46 116.27 3deh n PHE 142 Ca -0.02 0.36 0.03 0.00 -0.05 0.00 0.00 57.45 57.77 3deh n PHE 142 Cb 0.31 -1.04 0.04 0.00 -0.94 0.00 0.00 39.48 37.85 3deh n PHE 142 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3deh n PHE 143 N -2.22 0.06 -1.65 1.38 3.72 -0.96 -4.23 117.46 113.56 3deh n PHE 143 Ca -0.01 -0.11 -0.46 0.00 -0.05 0.00 0.00 57.45 56.81 3deh n PHE 143 Cb 0.08 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 3deh n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3deh n ARG 144 N 0.30 1.92 0.00 -1.08 1.74 -0.81 -4.49 116.66 114.24 3deh n ARG 144 Ca 0.04 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 3deh n ARG 144 Cb 0.20 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 3deh n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3deh n GLY 145 N 2.70 0.00 0.11 -0.13 0.00 -0.91 0.65 105.19 107.61 3deh n GLY 145 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3deh n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3deh n ASP 146 N -0.79 0.79 -0.00 1.61 5.75 -1.26 -4.54 116.55 118.11 3deh n ASP 146 Ca 0.00 -0.90 0.04 0.00 -0.01 0.00 0.00 54.79 53.92 3deh n ASP 146 Cb 0.35 0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 41.09 3deh n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3deh n ARG 147 N -0.66 4.37 -3.36 0.11 1.74 0.21 -4.78 116.66 114.29 3deh n ARG 147 Ca 0.03 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 3deh n ARG 147 Cb 0.15 -0.87 -0.09 0.00 -1.02 0.00 0.00 32.46 30.62 3deh n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3deh h ARG 149 N 5.70 0.00 0.00 0.00 3.08 -1.86 -1.55 114.38 119.75 3deh h ARG 149 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3deh h ARG 149 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3deh h ARG 149 CO 0.34 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 178.22 3deh n SER 150 N -3.34 0.00 -0.19 7.04 3.41 -1.26 -2.95 113.62 116.34 3deh n SER 150 Ca -0.00 -0.23 0.02 0.00 -0.26 0.00 0.00 58.87 58.39 3deh n SER 150 Cb 0.31 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3deh n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3deh n LEU 151 N -1.24 1.91 -4.73 1.04 4.77 -0.59 -4.09 117.00 114.08 3deh n LEU 151 Ca 0.14 -1.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.10 3deh n LEU 151 Cb 0.20 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3deh n LEU 151 CO 0.20 0.46 1.19 -0.89 -1.33 0.00 0.00 177.39 177.03 3deh s THR 152 N -0.72 2.58 0.00 -5.08 2.01 -1.15 -1.72 115.64 111.56 3deh s THR 152 Ca 0.06 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3deh s THR 152 Cb 0.04 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3deh s THR 152 CO 0.05 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 3deh n GLY 153 N 3.17 0.42 3.36 4.40 0.00 -1.26 -5.02 105.19 110.26 3deh n GLY 153 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3deh n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3deh s LYS 154 N -0.41 1.87 -0.08 1.61 1.02 -0.70 -4.94 119.74 118.11 3deh s LYS 154 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 3deh s LYS 154 Cb 0.00 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 3deh s LYS 154 CO 0.00 0.52 1.84 -1.25 -0.92 0.00 0.00 175.35 175.54 3deh s PRO 155 N -1.24 3.94 -0.31 -1.68 0.04 -1.26 -4.84 135.00 129.66 3deh s PRO 155 Ca 0.12 2.21 -0.16 0.00 0.04 0.00 0.00 61.00 63.21 3deh s PRO 155 Cb -0.10 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 3deh s PRO 155 CO 0.02 -1.15 0.41 0.15 0.04 0.00 0.00 177.00 176.47 3deh s LYS 156 N 4.64 3.81 -0.16 4.56 3.01 0.62 -2.13 119.74 134.10 3deh s LYS 156 Ca 0.82 -0.11 -0.01 0.00 -1.01 0.00 0.00 55.97 55.66 3deh s LYS 156 Cb -0.35 -3.73 -0.01 0.00 -1.01 0.00 0.00 37.83 32.73 3deh s LYS 156 CO 0.35 -0.43 -0.11 -0.51 0.51 0.00 0.00 175.35 175.15 3deh s LEU 157 N 2.15 2.72 -0.21 3.17 1.43 0.42 -0.94 118.68 127.41 3deh s LEU 157 Ca 0.15 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3deh s LEU 157 Cb -0.16 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.46 3deh s LEU 157 CO 0.11 0.10 -0.14 -0.36 0.23 0.00 0.00 176.35 176.29 3deh s PHE 158 N 0.73 2.84 -0.26 0.29 0.40 0.07 0.06 117.98 122.10 3deh s PHE 158 Ca -0.05 -1.86 -0.12 0.00 -0.60 0.00 0.00 56.93 54.30 3deh s PHE 158 Cb -0.15 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 3deh s PHE 158 CO 0.02 -0.81 0.25 0.42 0.70 0.00 0.00 175.22 175.79 3deh s ILE 159 N 1.26 5.28 -0.29 0.64 -1.09 -0.02 -0.30 121.20 126.68 3deh s ILE 159 Ca -0.01 0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 3deh s ILE 159 Cb -0.16 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.21 3deh s ILE 159 CO -0.09 0.24 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.21 3deh s ILE 160 N 1.67 1.98 -0.63 2.92 1.09 -0.05 -0.46 121.20 127.71 3deh s ILE 160 Ca 0.10 -1.78 -0.15 0.00 -1.10 0.00 0.00 60.65 57.72 3deh s ILE 160 Cb -0.15 -2.27 0.16 0.00 -1.06 0.00 0.00 42.46 39.13 3deh s ILE 160 CO 0.09 -0.29 0.59 -1.58 -0.10 0.00 0.00 174.94 173.65 3deh s GLN 161 N 1.13 3.19 0.00 2.79 2.00 -0.35 -1.64 119.66 126.78 3deh s GLN 161 Ca -0.00 -1.95 0.00 0.00 -2.00 0.00 0.00 55.36 51.41 3deh s GLN 161 Cb -0.19 -4.34 0.00 0.00 0.80 0.00 0.00 33.01 29.27 3deh s GLN 161 CO -0.08 -1.32 0.00 0.00 -0.50 0.00 0.00 175.29 173.39 3deh n ALA 162 N 4.85 0.00 -1.92 1.58 0.00 -1.26 -2.36 120.51 121.41 3deh n ALA 162 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 3deh n ALA 162 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3deh n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3deh n ARG 164 N 0.00 0.00 0.00 0.00 1.74 -0.22 -4.70 116.66 113.47 3deh n ARG 164 Ca 0.00 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3deh n ARG 164 Cb 0.00 0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 3deh n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3deh n GLY 165 N 0.00 0.93 0.02 -0.13 0.00 -1.18 -0.87 105.19 103.96 3deh n GLY 165 Ca -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 43.98 3deh n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3deh n THR 166 N 8.08 0.00 -1.65 2.61 -2.24 -0.77 -2.88 114.28 117.43 3deh n THR 166 Ca 0.00 -0.47 -0.45 0.00 -2.27 0.00 0.00 64.05 60.86 3deh n THR 166 Cb 0.00 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 3deh n THR 166 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3deh n GLU 167 N -0.76 1.83 -4.79 -0.78 1.02 -0.48 -4.51 120.64 112.17 3deh n GLU 167 Ca 0.01 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.46 3deh n GLU 167 Cb 0.03 -2.22 -0.14 0.00 -0.02 0.00 0.00 31.44 29.09 3deh n GLU 167 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3deh s LEU 168 N -0.02 2.77 -0.52 -4.62 1.43 -1.26 -0.98 118.68 115.48 3deh s LEU 168 Ca 0.64 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 3deh s LEU 168 Cb -0.67 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 43.99 3deh s LEU 168 CO 0.54 0.23 0.80 -0.62 0.23 0.00 0.00 176.35 177.54 3deh s ASP 169 N -0.04 6.31 0.26 2.29 -1.08 -1.26 -4.92 116.67 118.24 3deh s ASP 169 Ca -0.03 -0.49 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 3deh s ASP 169 Cb -0.14 -2.38 1.00 0.00 -1.46 0.00 0.00 42.92 39.94 3deh s ASP 169 CO 0.04 -1.05 1.70 0.00 0.52 0.00 0.00 175.17 176.37 3deh n GLY 171 N -0.17 -2.76 3.13 0.00 0.00 -1.26 -4.75 105.19 99.38 3deh n GLY 171 Ca 0.02 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 3deh n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3deh s ILE 172 N -3.28 0.80 -0.12 -0.61 1.10 -1.26 -5.09 121.20 112.75 3deh s ILE 172 Ca 0.00 -1.34 -0.16 0.00 -0.51 0.00 0.00 60.65 58.64 3deh s ILE 172 Cb 0.00 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.57 3deh s ILE 172 CO 0.00 -0.42 0.39 -0.70 -2.11 0.00 0.00 174.94 172.10 3deh s GLU 173 N -2.09 4.23 0.00 3.50 2.12 -1.26 -4.81 118.70 120.39 3deh s GLU 173 Ca -0.02 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.60 3deh s GLU 173 Cb -0.07 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3deh s GLU 173 CO 0.00 0.28 0.33 2.41 -0.54 0.00 0.00 175.26 177.74 3deh n THR 174 N 3.32 0.00 0.00 -1.70 -1.04 -1.26 -5.37 114.28 108.23 3deh n THR 174 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3deh n THR 174 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3deh n THR 174 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3deh n ASP 175 N 0.00 0.00 0.00 8.00 5.68 -1.26 -5.30 116.55 123.67 3deh n ASP 175 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3deh n ASP 175 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3deh n ASP 175 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3deh n HIS 185 N 0.00 -0.03 -3.71 2.11 -0.00 -1.26 -5.19 115.22 107.14 3deh n HIS 185 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 3deh n HIS 185 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 3deh n HIS 185 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 3deh s LYS 186 N 0.00 0.53 0.23 -0.41 2.20 -1.26 -5.18 119.74 115.86 3deh s LYS 186 Ca 0.00 0.69 0.11 0.00 -0.36 0.00 0.00 55.97 56.41 3deh s LYS 186 Cb 0.00 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3deh s LYS 186 CO 0.00 -0.08 -0.21 0.96 -0.36 0.00 0.00 175.35 175.66 3deh s ILE 187 N 0.46 2.49 0.33 5.43 -4.36 -1.26 -5.12 121.20 119.17 3deh s ILE 187 Ca -0.02 -2.16 -0.29 0.00 -0.26 0.00 0.00 60.65 57.92 3deh s ILE 187 Cb -0.04 -2.25 -0.10 0.00 1.25 0.00 0.00 42.46 41.32 3deh s ILE 187 CO -0.02 -0.24 1.29 -2.84 0.24 0.00 0.00 174.94 173.37 3deh s PRO 188 N -3.06 4.38 0.35 0.37 0.02 -1.26 -4.90 135.00 130.90 3deh s PRO 188 Ca 0.25 2.18 0.27 0.00 0.02 0.00 0.00 61.00 63.72 3deh s PRO 188 Cb -0.07 -3.08 1.13 0.00 0.02 0.00 0.00 34.50 32.50 3deh s PRO 188 CO 0.13 -0.16 1.80 -0.39 -0.33 0.00 0.00 177.00 178.05 3deh h VAL 189 N 3.05 0.00 -0.07 3.83 -1.51 -1.97 -2.19 116.25 117.40 3deh h VAL 189 Ca -0.49 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3deh h VAL 189 Cb 1.22 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3deh h VAL 189 CO 0.66 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.47 3deh n ASP 190 N -2.48 1.99 -4.86 4.19 8.00 -1.26 -2.15 116.55 119.98 3deh n ASP 190 Ca 0.01 -1.68 -0.30 0.00 0.71 0.00 0.00 54.79 53.54 3deh n ASP 190 Cb 0.24 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3deh n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3deh s ALA 191 N -1.94 2.75 -1.22 2.24 0.00 -0.82 -4.23 121.76 118.55 3deh s ALA 191 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3deh s ALA 191 Cb 0.20 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3deh s ALA 191 CO 0.31 -1.25 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 3deh n ASP 192 N -3.09 -4.35 -4.53 0.00 8.00 0.31 -4.77 116.55 108.12 3deh n ASP 192 Ca 0.07 -0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 3deh n ASP 192 Cb 0.57 -3.51 -0.12 0.00 -0.02 0.00 0.00 41.12 38.04 3deh n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3deh s PHE 193 N -2.71 2.79 -0.09 1.24 0.08 -1.22 -0.27 117.98 117.80 3deh s PHE 193 Ca 0.00 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.97 3deh s PHE 193 Cb 0.00 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 3deh s PHE 193 CO 0.00 0.28 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.12 3deh s LEU 194 N -1.00 1.46 -0.29 -0.37 0.20 -0.12 -0.45 118.68 118.12 3deh s LEU 194 Ca 0.13 -0.31 -0.07 0.00 0.69 0.00 0.00 54.13 54.58 3deh s LEU 194 Cb -0.11 -0.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 3deh s LEU 194 CO 0.03 -0.03 0.07 -0.31 -0.29 0.00 0.00 176.35 175.82 3deh s TYR 195 N 1.13 3.13 -0.57 5.38 1.51 0.13 -0.75 117.35 127.30 3deh s TYR 195 Ca -0.06 -0.91 -0.13 0.00 -1.01 0.00 0.00 57.07 54.96 3deh s TYR 195 Cb -0.14 -2.25 0.14 0.00 -0.11 0.00 0.00 41.96 39.60 3deh s TYR 195 CO -0.02 -0.55 0.50 0.00 -1.11 0.00 0.00 175.55 174.37 3deh s ALA 196 N 1.51 3.65 0.28 3.71 0.00 0.59 -0.25 121.76 131.25 3deh s ALA 196 Ca 0.03 -2.69 -0.13 0.00 0.00 0.00 0.00 51.96 49.17 3deh s ALA 196 Cb -0.17 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 3deh s ALA 196 CO 0.02 -2.03 0.65 0.71 0.00 0.00 0.00 175.76 175.11 3deh s TYR 197 N 1.24 3.41 -0.18 0.00 2.02 -0.65 -0.87 117.35 122.32 3deh s TYR 197 Ca 0.07 1.08 0.21 0.00 -0.37 0.00 0.00 57.07 58.05 3deh s TYR 197 Cb -0.25 -2.42 0.44 0.00 -0.40 0.00 0.00 41.96 39.32 3deh s TYR 197 CO -0.00 0.18 1.62 0.66 -1.57 0.00 0.00 175.55 176.45 3deh h SER 198 N 2.45 0.00 -5.43 2.29 4.64 -1.60 -1.73 113.55 114.17 3deh h SER 198 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.67 3deh h SER 198 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 3deh h SER 198 CO 0.67 0.23 -0.52 0.42 -0.87 0.00 0.00 176.83 176.76 3deh s THR 199 N -3.24 0.05 0.65 2.95 -4.23 -1.26 -3.36 115.64 107.19 3deh s THR 199 Ca 0.04 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 3deh s THR 199 Cb 0.07 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 3deh s THR 199 CO 0.68 -0.22 1.29 0.00 -0.54 0.00 0.00 174.62 175.83 3deh n ALA 200 N -0.21 1.15 -1.58 3.99 0.00 -0.78 -4.13 120.51 118.95 3deh n ALA 200 Ca -0.03 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.88 3deh n ALA 200 Cb 0.64 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 3deh n ALA 200 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3deh n PRO 201 N -1.87 0.98 0.00 0.00 -0.01 -1.26 -1.65 135.00 131.19 3deh n PRO 201 Ca 0.16 0.35 0.00 0.00 -0.01 0.00 0.00 63.50 64.00 3deh n PRO 201 Cb 0.48 -1.98 0.00 0.00 -0.01 0.00 0.00 33.50 31.99 3deh n PRO 201 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3deh n GLY 202 N 2.37 2.42 3.91 -1.23 0.00 -0.05 -5.00 105.19 107.61 3deh n GLY 202 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3deh n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3deh s TYR 203 N -2.30 3.47 0.62 1.61 1.51 -0.66 -1.38 117.35 120.22 3deh s TYR 203 Ca 0.00 0.54 -0.16 0.00 -1.01 0.00 0.00 57.07 56.43 3deh s TYR 203 Cb 0.00 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3deh s TYR 203 CO 0.00 0.33 1.10 -0.47 -1.11 0.00 0.00 175.55 175.40 3deh s TYR 204 N -1.86 2.72 -0.14 2.71 5.04 -0.15 -1.06 117.35 124.60 3deh s TYR 204 Ca 0.41 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3deh s TYR 204 Cb -0.11 -3.16 0.01 0.00 0.35 0.00 0.00 41.96 39.05 3deh s TYR 204 CO 0.27 -1.52 -0.21 0.45 -1.34 0.00 0.00 175.55 173.20 3deh s SER 205 N -2.45 3.16 0.01 4.32 0.15 -1.26 -4.85 113.70 112.79 3deh s SER 205 Ca 0.67 -0.60 -0.23 0.00 0.70 0.00 0.00 55.95 56.49 3deh s SER 205 Cb -0.20 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 3deh s SER 205 CO 0.37 0.08 0.71 0.26 1.20 0.00 0.00 173.24 175.85 3deh s TRP 206 N 0.85 3.70 0.02 3.44 0.52 -1.26 -4.99 118.94 121.21 3deh s TRP 206 Ca -0.06 1.36 0.09 0.00 0.02 0.00 0.00 56.10 57.51 3deh s TRP 206 Cb -0.15 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 3deh s TRP 206 CO -0.02 0.27 -0.26 1.03 0.02 0.00 0.00 176.95 177.98 3deh s ARG 207 N 0.04 1.86 -0.18 4.98 0.52 -1.26 -2.35 118.95 122.56 3deh s ARG 207 Ca 0.36 -1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3deh s ARG 207 Cb -0.19 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 3deh s ARG 207 CO 0.21 0.51 -0.03 1.21 0.02 0.00 0.00 175.30 177.22 3deh s ASN 208 N -1.00 4.67 0.57 0.23 3.84 -0.82 -4.92 114.94 117.52 3deh s ASN 208 Ca 0.11 -0.21 0.27 0.00 0.21 0.00 0.00 52.86 53.24 3deh s ASN 208 Cb -0.10 -1.78 1.58 0.00 -0.55 0.00 0.00 41.25 40.41 3deh s ASN 208 CO 0.01 0.11 2.09 -1.28 -2.79 0.00 0.00 177.10 175.23 3deh h SER 209 N 7.17 0.00 0.00 -4.21 0.87 -1.84 -1.08 113.55 114.46 3deh h SER 209 Ca -0.34 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 3deh h SER 209 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3deh h SER 209 CO 0.61 0.00 -0.70 1.17 -0.53 0.00 0.00 176.83 177.38 3deh n LYS 210 N -3.95 0.48 -0.95 2.24 4.81 -1.26 -3.72 118.16 115.80 3deh n LYS 210 Ca 0.02 0.48 0.03 0.00 -0.87 0.00 0.00 58.31 57.97 3deh n LYS 210 Cb 0.35 -1.66 0.38 0.00 0.02 0.00 0.00 35.03 34.12 3deh n LYS 210 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3deh n ASP 211 N -4.57 5.48 -0.34 3.14 5.75 -1.23 -4.94 116.55 119.84 3deh n ASP 211 Ca -0.12 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 3deh n ASP 211 Cb 0.36 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3deh n ASP 211 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3deh n GLY 212 N 0.38 -1.60 3.77 6.12 0.00 -0.41 -4.75 105.19 108.70 3deh n GLY 212 Ca 0.32 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 3deh n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3deh s SER 213 N -4.00 6.47 0.23 1.61 1.04 -1.26 -1.94 113.70 115.85 3deh s SER 213 Ca 0.00 2.23 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 3deh s SER 213 Cb 0.00 -2.60 0.40 0.00 0.10 0.00 0.00 66.02 63.92 3deh s SER 213 CO 0.00 -0.70 1.71 -0.50 0.98 0.00 0.00 173.24 174.73 3deh h TRP 214 N 2.38 0.35 0.49 5.02 6.55 -1.81 -2.19 115.95 126.75 3deh h TRP 214 Ca -0.49 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.37 3deh h TRP 214 Cb 1.23 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 3deh h TRP 214 CO 0.55 0.00 -0.24 0.35 -1.05 0.00 0.00 178.44 178.06 3deh h PHE 215 N 0.34 -0.62 -0.66 0.49 3.57 -1.90 -2.31 116.94 115.85 3deh h PHE 215 Ca 0.38 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.89 3deh h PHE 215 Cb 0.58 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3deh h PHE 215 CO -0.21 -0.29 0.41 0.82 -2.23 0.00 0.00 178.31 176.80 3deh h ILE 216 N -1.00 1.08 -0.63 1.41 1.08 -1.93 0.32 117.51 117.83 3deh h ILE 216 Ca -0.07 -0.28 0.10 0.00 -0.39 0.00 0.00 64.86 64.23 3deh h ILE 216 Cb 0.60 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 34.48 3deh h ILE 216 CO 0.11 0.15 0.23 -0.61 -0.69 0.00 0.00 178.15 177.34 3deh h GLN 217 N 0.80 0.39 0.00 2.37 4.15 -1.46 0.41 115.11 121.77 3deh h GLN 217 Ca 0.27 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.40 3deh h GLN 217 Cb 0.03 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 27.65 3deh h GLN 217 CO -0.11 0.26 -1.04 0.77 -1.93 0.00 0.00 178.83 176.78 3deh h SER 218 N 0.40 0.87 -0.19 -0.69 0.02 -0.74 -2.62 113.55 110.60 3deh h SER 218 Ca 0.33 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3deh h SER 218 Cb 0.43 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3deh h SER 218 CO -0.33 1.50 0.10 0.25 -1.14 0.00 0.00 176.83 177.20 3deh h LEU 219 N 0.37 0.15 -0.26 5.07 5.85 -0.14 -1.19 115.31 125.15 3deh h LEU 219 Ca -0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3deh h LEU 219 Cb 1.69 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 3deh h LEU 219 CO 0.20 0.11 0.13 0.00 -0.34 0.00 0.00 178.44 178.55 3deh h ALA 221 N 1.00 1.22 -0.00 0.00 0.00 -1.33 -1.42 119.26 118.73 3deh h ALA 221 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3deh h ALA 221 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3deh h ALA 221 CO -0.01 0.41 -0.72 1.98 0.00 0.00 0.00 179.25 180.91 3deh h MET 222 N 1.11 0.02 0.06 0.00 -1.53 -0.96 -1.95 114.93 111.67 3deh h MET 222 Ca 0.38 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.62 3deh h MET 222 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 3deh h MET 222 CO -0.14 0.72 -0.03 -0.07 0.14 0.00 0.00 176.91 177.54 3deh h LEU 223 N 0.01 -0.06 -0.80 3.39 3.38 -0.79 -0.38 115.31 120.06 3deh h LEU 223 Ca -0.01 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.62 3deh h LEU 223 Cb 1.27 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 3deh h LEU 223 CO 0.09 0.48 0.38 0.11 0.09 0.00 0.00 178.44 179.59 3deh h LYS 224 N -0.63 0.53 -0.05 1.13 1.57 -1.26 0.45 116.57 118.31 3deh h LYS 224 Ca -0.01 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3deh h LYS 224 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3deh h LYS 224 CO 0.01 0.35 -0.73 0.37 -0.57 0.00 0.00 179.45 178.88 3deh h GLN 225 N 0.55 0.27 0.00 3.15 4.15 -1.34 -3.40 115.11 118.49 3deh h GLN 225 Ca 0.44 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3deh h GLN 225 Cb 0.62 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3deh h GLN 225 CO -0.37 0.89 0.00 0.66 -1.93 0.00 0.00 178.83 178.08 3deh n TYR 226 N -3.79 0.00 0.08 3.99 4.01 -0.16 -4.77 117.16 116.52 3deh n TYR 226 Ca -0.03 -0.07 0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3deh n TYR 226 Cb 0.71 -0.01 0.46 0.00 -0.31 0.00 0.00 39.34 40.19 3deh n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3deh h ALA 227 N 0.00 1.72 0.00 -0.72 0.00 -0.29 -0.44 119.26 119.53 3deh h ALA 227 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3deh h ALA 227 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3deh h ALA 227 CO 0.00 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3deh n ASP 228 N -4.44 0.21 0.02 0.00 5.75 -1.26 -4.04 116.55 112.78 3deh n ASP 228 Ca 0.01 0.53 -0.01 0.00 -0.01 0.00 0.00 54.79 55.30 3deh n ASP 228 Cb 0.12 -0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 39.62 3deh n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3deh n LYS 229 N -1.70 0.08 -2.74 0.11 5.02 -0.71 -4.85 118.16 113.36 3deh n LYS 229 Ca 0.06 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 3deh n LYS 229 Cb 0.32 -0.55 -0.05 0.00 -0.02 0.00 0.00 35.03 34.73 3deh n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3deh s LEU 230 N -6.68 3.84 0.48 -0.35 1.43 -0.26 -5.05 118.68 112.09 3deh s LEU 230 Ca -0.04 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.31 3deh s LEU 230 Cb 0.01 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 3deh s LEU 230 CO 0.07 -0.42 1.19 -0.70 0.23 0.00 0.00 176.35 176.72 3deh s GLU 231 N -3.56 3.60 0.21 1.70 -6.30 -1.26 -4.70 118.70 108.40 3deh s GLU 231 Ca 0.58 1.83 -0.09 0.00 -2.50 0.00 0.00 54.97 54.79 3deh s GLU 231 Cb -0.10 -2.33 0.31 0.00 0.00 0.00 0.00 34.13 32.01 3deh s GLU 231 CO 0.23 -0.69 1.74 0.35 0.02 0.00 0.00 175.26 176.91 3deh h PHE 232 N 1.84 0.42 -0.98 5.30 3.57 -1.27 -0.15 116.94 125.67 3deh h PHE 232 Ca -0.50 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.17 3deh h PHE 232 Cb 1.26 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.82 3deh h PHE 232 CO 0.52 0.09 0.62 0.52 -2.23 0.00 0.00 178.31 177.83 3deh h MET 233 N 0.42 0.85 -0.20 1.11 2.86 -1.93 0.14 114.93 118.18 3deh h MET 233 Ca 0.33 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.77 3deh h MET 233 Cb 0.42 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3deh h MET 233 CO -0.32 0.56 -0.49 0.45 1.06 0.00 0.00 176.91 178.17 3deh h HIS 234 N 0.88 0.65 0.13 -0.22 3.86 -1.43 0.25 115.15 119.27 3deh h HIS 234 Ca 0.50 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3deh h HIS 234 Cb 0.63 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3deh h HIS 234 CO -0.00 0.92 -0.06 0.82 0.86 0.00 0.00 177.93 180.47 3deh h ILE 235 N 0.42 0.99 -0.77 2.45 2.04 -0.37 -1.91 117.51 120.35 3deh h ILE 235 Ca 0.02 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3deh h ILE 235 Cb 1.01 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 3deh h ILE 235 CO 0.09 0.12 0.51 -0.07 0.00 0.00 0.00 178.15 178.80 3deh h LEU 236 N -0.40 0.84 -0.54 1.44 3.38 -0.61 0.12 115.31 119.55 3deh h LEU 236 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3deh h LEU 236 Cb 0.32 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3deh h LEU 236 CO 0.03 0.59 0.29 0.74 0.09 0.00 0.00 178.44 180.18 3deh h THR 237 N 0.98 0.99 -0.55 0.22 2.02 -0.36 0.81 112.91 117.02 3deh h THR 237 Ca 0.30 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 3deh h THR 237 Cb -0.00 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3deh h THR 237 CO -0.08 0.10 0.20 0.03 0.37 0.00 0.00 175.52 176.14 3deh h ARG 238 N 0.57 0.81 -0.45 6.66 3.08 -0.37 -1.75 114.38 122.94 3deh h ARG 238 Ca 0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3deh h ARG 238 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3deh h ARG 238 CO -0.14 0.69 0.28 0.28 -1.07 0.00 0.00 179.97 180.01 3deh h VAL 239 N 0.80 1.13 -0.23 2.04 2.07 -0.37 -0.75 116.25 120.93 3deh h VAL 239 Ca 0.19 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3deh h VAL 239 Cb 0.20 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3deh h VAL 239 CO -0.01 0.13 -0.31 0.78 0.02 0.00 0.00 177.57 178.18 3deh h ASN 240 N 0.61 -0.97 -0.77 0.57 2.35 -0.02 -0.22 115.58 117.13 3deh h ASN 240 Ca 0.16 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 56.11 3deh h ASN 240 Cb -0.03 0.44 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 3deh h ASN 240 CO -0.03 -0.33 0.48 -0.09 -1.65 0.00 0.00 177.43 175.81 3deh h ARG 241 N -0.32 0.91 -0.41 0.81 2.43 -1.17 0.60 114.38 117.23 3deh h ARG 241 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3deh h ARG 241 Cb 0.52 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3deh h ARG 241 CO -0.41 0.60 0.19 -0.22 -1.51 0.00 0.00 179.97 178.62 3deh h LYS 242 N 0.94 0.59 -0.29 0.20 3.64 -0.54 0.31 116.57 121.42 3deh h LYS 242 Ca 0.31 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3deh h LYS 242 Cb 0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3deh h LYS 242 CO -0.12 0.53 -0.06 0.28 -2.27 0.00 0.00 179.45 177.81 3deh h VAL 243 N 0.52 1.28 -0.71 2.00 2.07 -0.81 -1.09 116.25 119.50 3deh h VAL 243 Ca 0.14 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3deh h VAL 243 Cb 0.14 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3deh h VAL 243 CO -0.02 0.34 0.26 0.00 0.02 0.00 0.00 177.57 178.18 3deh h ALA 244 N 0.79 1.12 0.00 1.67 0.00 -0.66 -3.26 119.26 118.92 3deh h ALA 244 Ca 0.07 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 3deh h ALA 244 Cb 0.54 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3deh h ALA 244 CO 0.03 0.62 -2.43 0.25 0.00 0.00 0.00 179.25 177.71 3deh n THR 245 N -4.28 1.44 1.57 0.00 -2.24 0.08 -4.55 114.28 106.29 3deh n THR 245 Ca 0.06 -0.58 0.15 0.00 -2.27 0.00 0.00 64.05 61.40 3deh n THR 245 Cb 0.20 -1.31 0.69 0.00 -2.10 0.00 0.00 70.33 67.81 3deh n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3deh n GLU 246 N -3.19 0.88 -4.25 -0.78 1.02 -0.42 -4.91 120.64 109.00 3deh n GLU 246 Ca -0.44 -0.26 -0.22 0.00 -0.02 0.00 0.00 57.16 56.22 3deh n GLU 246 Cb 0.99 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.80 3deh n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3deh s PHE 247 N -2.30 1.60 -0.28 -0.32 0.08 -1.23 -5.05 117.98 110.48 3deh s PHE 247 Ca 0.35 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.80 3deh s PHE 247 Cb 0.21 -0.88 0.11 0.00 -0.57 0.00 0.00 43.02 41.89 3deh s PHE 247 CO 0.43 0.16 0.85 -2.00 -0.10 0.00 0.00 175.22 174.56 3deh s GLU 248 N -1.88 0.54 0.67 0.44 2.12 -1.26 -4.77 118.70 114.54 3deh s GLU 248 Ca 0.04 0.90 -0.14 0.00 0.36 0.00 0.00 54.97 56.14 3deh s GLU 248 Cb -0.10 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.41 3deh s GLU 248 CO 0.04 -0.11 1.08 -1.54 -0.54 0.00 0.00 175.26 174.19 3deh s SER 249 N 1.39 5.23 -0.11 -1.70 1.04 -0.47 -4.85 113.70 114.23 3deh s SER 249 Ca -0.09 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.21 3deh s SER 249 Cb -0.04 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.56 3deh s SER 249 CO -0.16 -1.54 -0.12 0.12 0.98 0.00 0.00 173.24 172.51 3deh s PHE 250 N -2.59 1.81 -0.01 5.02 5.36 -1.26 -1.51 117.98 124.79 3deh s PHE 250 Ca 0.63 -0.88 -0.10 0.00 -0.96 0.00 0.00 56.93 55.62 3deh s PHE 250 Cb -0.18 -1.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.16 3deh s PHE 250 CO 0.45 -0.50 0.21 0.45 -1.46 0.00 0.00 175.22 174.36 3deh s SER 251 N 1.25 -0.08 0.18 6.13 0.15 -1.26 -4.91 113.70 115.17 3deh s SER 251 Ca -0.02 -0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.84 3deh s SER 251 Cb -0.14 0.28 0.90 0.00 -1.71 0.00 0.00 66.02 65.35 3deh s SER 251 CO -0.05 -0.36 1.70 0.49 1.20 0.00 0.00 173.24 176.23 3deh n PHE 252 N 1.59 0.63 -3.53 3.44 0.99 -1.26 -4.54 117.46 114.78 3deh n PHE 252 Ca -0.21 0.23 -0.40 0.00 -0.00 0.00 0.00 57.45 57.06 3deh n PHE 252 Cb 0.56 -0.86 -0.11 0.00 -1.00 0.00 0.00 39.48 38.07 3deh n PHE 252 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3deh s ASP 253 N -3.99 6.05 0.59 4.37 -1.08 -1.26 -4.97 116.67 116.38 3deh s ASP 253 Ca 0.07 -0.43 0.30 0.00 -0.52 0.00 0.00 52.55 51.96 3deh s ASP 253 Cb 0.11 -2.14 1.81 0.00 -1.46 0.00 0.00 42.92 41.24 3deh s ASP 253 CO 0.43 -0.24 2.23 0.00 0.52 0.00 0.00 175.17 178.11 3deh h ALA 254 N 8.49 1.56 -0.47 3.66 0.00 -1.94 -0.68 119.26 129.88 3deh h ALA 254 Ca -0.31 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3deh h ALA 254 Cb 1.16 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3deh h ALA 254 CO 0.63 -0.05 -0.06 1.15 0.00 0.00 0.00 179.25 180.92 3deh h THR 255 N 0.00 0.57 -0.60 0.00 2.02 -1.95 -2.92 112.91 110.04 3deh h THR 255 Ca 0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3deh h THR 255 Cb 0.09 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3deh h THR 255 CO -0.00 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.39 3deh n PHE 256 N -5.29 0.79 -3.52 3.16 3.01 -0.32 -4.97 117.46 110.32 3deh n PHE 256 Ca 0.04 -0.42 -0.35 0.00 1.01 0.00 0.00 57.45 57.73 3deh n PHE 256 Cb 0.26 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 3deh n PHE 256 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3deh s HIS 257 N -1.15 3.62 -1.41 1.38 2.46 -0.83 -4.37 115.29 114.97 3deh s HIS 257 Ca 0.44 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.85 3deh s HIS 257 Cb 0.24 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 30.47 3deh s HIS 257 CO 0.32 0.53 0.00 0.00 -2.47 0.00 0.00 174.74 173.11 3deh n ALA 258 N 1.06 -0.21 -1.83 1.58 0.00 -0.57 -4.94 120.51 115.60 3deh n ALA 258 Ca -0.09 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3deh n ALA 258 Cb 0.52 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 3deh n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3deh s LYS 259 N -3.20 4.57 0.48 0.00 -0.14 -1.26 -4.60 119.74 115.59 3deh s LYS 259 Ca 0.00 1.27 0.06 0.00 -1.36 0.00 0.00 55.97 55.95 3deh s LYS 259 Cb 0.00 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3deh s LYS 259 CO 0.00 0.34 0.34 0.15 -0.76 0.00 0.00 175.35 175.42 3deh s LYS 260 N -1.88 2.32 -0.21 1.68 -0.14 0.14 -1.37 119.74 120.28 3deh s LYS 260 Ca 0.47 -1.86 -0.21 0.00 -1.36 0.00 0.00 55.97 53.02 3deh s LYS 260 Cb -0.19 -2.14 0.06 0.00 -1.68 0.00 0.00 37.83 33.88 3deh s LYS 260 CO 0.24 -0.39 0.58 -1.14 -0.76 0.00 0.00 175.35 173.89 3deh s GLN 261 N -4.15 0.70 -0.07 1.68 0.74 -1.26 -4.11 119.66 113.19 3deh s GLN 261 Ca 0.39 0.76 0.01 0.00 0.05 0.00 0.00 55.36 56.57 3deh s GLN 261 Cb -0.01 0.34 0.02 0.00 1.10 0.00 0.00 33.01 34.46 3deh s GLN 261 CO 0.23 -0.10 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.28 3deh s ILE 262 N 0.20 0.95 1.18 -2.34 1.10 -1.26 -3.23 121.20 117.79 3deh s ILE 262 Ca -0.01 -0.34 -0.17 0.00 -0.51 0.00 0.00 60.65 59.62 3deh s ILE 262 Cb -0.04 -0.92 0.27 0.00 0.15 0.00 0.00 42.46 41.93 3deh s ILE 262 CO 0.01 0.33 1.08 -2.84 -2.11 0.00 0.00 174.94 171.41 3deh s PRO 263 N 1.00 -1.01 -0.15 3.50 0.02 -1.21 -1.88 135.00 135.27 3deh s PRO 263 Ca -0.09 0.16 -0.04 0.00 0.02 0.00 0.00 61.00 61.05 3deh s PRO 263 Cb -0.15 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.83 3deh s PRO 263 CO -0.00 -3.62 0.08 0.00 -0.33 0.00 0.00 177.00 173.13 3deh s ILE 265 N 2.12 4.82 -0.31 0.00 1.01 -1.26 -1.64 121.20 125.93 3deh s ILE 265 Ca 0.02 0.74 -0.04 0.00 0.00 0.00 0.00 60.65 61.38 3deh s ILE 265 Cb -0.15 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.22 3deh s ILE 265 CO -0.08 -0.36 0.03 -0.69 0.00 0.00 0.00 174.94 173.84 3deh s VAL 266 N 2.89 3.30 -0.12 2.92 1.01 0.65 -5.01 120.40 126.04 3deh s VAL 266 Ca 0.28 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3deh s VAL 266 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3deh s VAL 266 CO 0.16 -0.10 -0.20 -0.55 0.00 0.00 0.00 175.10 174.40 3deh s SER 267 N 1.32 2.91 -0.26 3.32 0.15 -1.26 0.17 113.70 120.04 3deh s SER 267 Ca -0.03 -0.55 0.09 0.00 0.70 0.00 0.00 55.95 56.16 3deh s SER 267 Cb -0.19 -1.34 0.44 0.00 -1.71 0.00 0.00 66.02 63.23 3deh s SER 267 CO 0.00 0.08 1.20 1.15 1.20 0.00 0.00 173.24 176.87 3deh n MET 268 N 3.99 2.81 -2.53 5.44 0.00 0.40 -5.02 117.12 122.22 3deh n MET 268 Ca -0.20 -3.83 -0.34 0.00 0.00 0.00 0.00 57.70 53.33 3deh n MET 268 Cb 0.52 -2.01 -0.03 0.00 0.00 0.00 0.00 33.22 31.69 3deh n MET 268 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3deh s LEU 269 N -3.45 3.87 0.00 3.17 1.43 -1.19 -0.53 118.68 121.98 3deh s LEU 269 Ca 0.46 1.95 0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3deh s LEU 269 Cb 0.39 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 42.20 3deh s LEU 269 CO -0.00 -0.77 0.88 0.35 0.23 0.00 0.00 176.35 177.03 3deh n THR 270 N -0.89 0.10 -3.77 5.49 -2.24 -1.26 -4.87 114.28 106.84 3deh n THR 270 Ca 0.09 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 3deh n THR 270 Cb 0.52 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.83 3deh n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3deh s LYS 271 N -0.90 0.90 0.38 -0.78 1.02 -1.26 -4.94 119.74 114.16 3deh s LYS 271 Ca 0.13 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 55.05 3deh s LYS 271 Cb 0.09 0.38 -0.10 0.00 -0.52 0.00 0.00 37.83 37.68 3deh s LYS 271 CO 0.13 -0.31 1.37 -1.21 -0.92 0.00 0.00 175.35 174.42 3deh s GLU 272 N -3.59 4.08 -0.26 1.68 2.02 0.44 -4.74 118.70 118.34 3deh s GLU 272 Ca 0.02 2.33 0.01 0.00 0.02 0.00 0.00 54.97 57.36 3deh s GLU 272 Cb 0.03 -2.90 0.05 0.00 0.10 0.00 0.00 34.13 31.41 3deh s GLU 272 CO -0.10 -0.46 -0.09 -1.17 0.02 0.00 0.00 175.26 173.46 3deh s LEU 273 N -2.19 3.40 -0.09 1.80 2.96 -1.26 -1.15 118.68 122.15 3deh s LEU 273 Ca 0.54 -1.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 3deh s LEU 273 Cb -0.42 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3deh s LEU 273 CO 0.55 -0.18 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.98 3deh s TYR 274 N 1.17 2.83 -0.10 5.38 2.02 -1.26 -0.62 117.35 126.76 3deh s TYR 274 Ca -0.06 -0.29 0.14 0.00 -0.37 0.00 0.00 57.07 56.49 3deh s TYR 274 Cb -0.19 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 3deh s TYR 274 CO -0.05 0.06 1.23 0.74 -1.57 0.00 0.00 175.55 175.96 3deh h PHE 275 N 5.93 0.00 -1.92 2.71 0.04 -1.84 -3.46 116.94 118.40 3deh h PHE 275 Ca -0.38 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 59.95 3deh h PHE 275 Cb 1.18 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.34 3deh h PHE 275 CO 0.52 0.62 -0.32 0.71 -0.60 0.00 0.00 178.31 179.24 3deh s TYR 276 N -2.90 3.14 -2.00 -0.55 1.51 -1.26 -5.04 117.35 110.25 3deh s TYR 276 Ca 0.01 -0.16 0.16 0.00 -1.01 0.00 0.00 57.07 56.07 3deh s TYR 276 Cb 0.08 -2.01 0.13 0.00 -0.11 0.00 0.00 41.96 40.05 3deh s TYR 276 CO 0.78 -0.03 1.01 1.58 -1.11 0.00 0.00 175.55 177.78