#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9d h THR 58 N 0.00 1.39 -0.48 -0.18 2.02 -2.05 -2.59 112.91 111.02 1s9d h THR 58 Ca 0.00 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 64.71 1s9d h THR 58 Cb 0.00 3.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1s9d h THR 58 CO 0.00 0.65 0.13 -0.07 0.37 0.00 0.00 175.52 176.60 1s9d h LEU 59 N -0.55 0.67 -0.29 2.58 3.38 -2.05 -2.00 115.31 117.04 1s9d h LEU 59 Ca -0.17 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1s9d h LEU 59 Cb 1.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1s9d h LEU 59 CO 0.06 0.65 -0.02 -0.61 0.09 0.00 0.00 178.44 178.61 1s9d h GLN 60 N 0.71 0.52 -0.50 1.13 4.15 -2.00 -1.73 115.11 117.39 1s9d h GLN 60 Ca 0.16 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 1s9d h GLN 60 Cb 0.24 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1s9d h GLN 60 CO -0.01 0.69 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.38 1s9d h ARG 61 N 0.30 0.96 -0.57 1.69 2.43 -1.35 -2.11 114.38 115.74 1s9d h ARG 61 Ca 0.08 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1s9d h ARG 61 Cb 0.47 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1s9d h ARG 61 CO 0.02 1.04 0.26 -0.91 -1.51 0.00 0.00 179.97 178.86 1s9d h ASN 62 N 0.82 0.73 -0.42 -3.80 -0.26 -1.36 -0.65 115.58 110.65 1s9d h ASN 62 Ca 0.13 -0.08 -0.12 0.00 -0.56 0.00 0.00 56.30 55.67 1s9d h ASN 62 Cb 0.68 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1s9d h ASN 62 CO 0.05 0.64 -0.20 0.03 -1.06 0.00 0.00 177.43 176.89 1s9d h ARG 63 N 0.81 0.88 -0.55 0.81 3.08 -1.11 -1.64 114.38 116.65 1s9d h ARG 63 Ca 0.20 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1s9d h ARG 63 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1s9d h ARG 63 CO -0.02 1.03 0.08 0.87 -1.07 0.00 0.00 179.97 180.85 1s9d h LYS 64 N 0.70 0.89 -0.10 0.04 1.57 -0.96 -1.48 116.57 117.22 1s9d h LYS 64 Ca 0.09 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1s9d h LYS 64 Cb 0.76 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s9d h LYS 64 CO 0.06 0.84 0.04 1.98 -0.57 0.00 0.00 179.45 181.80 1s9d h MET 65 N 0.84 0.15 -0.88 3.15 4.05 -1.03 -0.72 114.93 120.49 1s9d h MET 65 Ca 0.17 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1s9d h MET 65 Cb 0.39 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1s9d h MET 65 CO 0.01 0.25 0.57 0.00 0.23 0.00 0.00 176.91 177.98 1s9d h ALA 66 N 0.89 1.15 -0.49 0.39 0.00 -1.16 -1.95 119.26 118.08 1s9d h ALA 66 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1s9d h ALA 66 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1s9d h ALA 66 CO -0.00 0.45 -0.02 0.52 0.00 0.00 0.00 179.25 180.20 1s9d h MET 67 N 1.13 0.84 -0.74 0.00 2.07 -1.06 -2.08 114.93 115.10 1s9d h MET 67 Ca 0.34 -0.24 -0.02 0.00 -2.07 0.00 0.00 59.70 57.71 1s9d h MET 67 Cb -0.04 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.57 1s9d h MET 67 CO -0.10 0.85 0.37 0.78 1.07 0.00 0.00 176.91 179.87 1s9d h GLY 68 N 0.98 1.13 1.00 8.32 0.00 -0.41 -1.05 103.07 113.04 1s9d h GLY 68 Ca 0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1s9d h GLY 68 CO 0.02 0.53 0.02 3.21 0.00 0.00 0.00 176.54 180.32 1s9d h ARG 69 N 1.03 0.85 -0.28 4.80 3.08 -1.22 0.34 114.38 122.97 1s9d h ARG 69 Ca 0.26 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s9d h ARG 69 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1s9d h ARG 69 CO -0.03 0.88 0.18 0.87 -1.07 0.00 0.00 179.97 180.79 1s9d h LYS 70 N 0.71 0.38 -0.19 0.04 1.79 -1.06 -1.34 116.57 116.90 1s9d h LYS 70 Ca 0.14 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1s9d h LYS 70 Cb 0.48 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1s9d h LYS 70 CO 0.02 0.28 -0.10 0.87 -1.08 0.00 0.00 179.45 179.44 1s9d h LYS 71 N 0.37 0.30 -0.47 3.15 1.57 -0.98 -1.89 116.57 118.62 1s9d h LYS 71 Ca 0.10 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1s9d h LYS 71 Cb -0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1s9d h LYS 71 CO -0.02 0.42 0.15 0.35 -0.57 0.00 0.00 179.45 179.78 1s9d h PHE 72 N 0.29 0.76 0.00 -1.35 3.57 0.24 -0.41 116.94 120.04 1s9d h PHE 72 Ca 0.06 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1s9d h PHE 72 Cb 0.36 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1s9d h PHE 72 CO 0.01 0.67 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.63 1s9d h ASN 73 N 0.63 0.00 0.09 0.41 2.35 -0.45 -0.92 115.58 117.69 1s9d h ASN 73 Ca 0.15 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1s9d h ASN 73 Cb 0.26 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.65 1s9d h ASN 73 CO -0.01 0.21 -0.60 0.24 -1.65 0.00 0.00 177.43 175.63 1s9d h MET 74 N 0.00 0.25 -1.90 0.81 2.86 -1.22 -3.44 114.93 112.29 1s9d h MET 74 Ca -0.00 -0.38 -0.29 0.00 -2.06 0.00 0.00 59.70 56.96 1s9d h MET 74 Cb 0.38 0.14 -0.30 0.00 0.06 0.00 0.00 31.60 31.87 1s9d h MET 74 CO 0.03 1.16 -0.62 0.34 1.06 0.00 0.00 176.91 178.88 1s9d s ASP 75 N -6.76 0.99 0.18 1.22 3.68 -0.19 -5.07 116.67 110.72 1s9d s ASP 75 Ca -0.15 -0.94 -0.23 0.00 2.13 0.00 0.00 52.55 53.36 1s9d s ASP 75 Cb 0.00 0.76 0.06 0.00 -1.45 0.00 0.00 42.92 42.30 1s9d s ASP 75 CO 0.80 -0.32 1.43 -2.65 0.13 0.00 0.00 175.17 174.56 1s9d n PRO 76 N 4.91 -0.32 -0.20 4.34 -0.02 -0.37 -1.30 135.00 142.04 1s9d n PRO 76 Ca 0.04 1.41 -0.04 0.00 -2.02 0.00 0.00 63.50 62.89 1s9d n PRO 76 Cb 0.47 -2.09 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1s9d n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1s9d h LYS 77 N 0.00 -0.13 -0.54 -0.52 3.64 -1.91 -0.56 116.57 116.55 1s9d h LYS 77 Ca 0.23 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1s9d h LYS 77 Cb 0.46 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1s9d h LYS 77 CO -0.89 -0.09 -0.02 0.87 -2.27 0.00 0.00 179.45 177.05 1s9d h LYS 78 N -0.14 0.97 -0.54 1.90 1.57 -1.66 0.94 116.57 119.60 1s9d h LYS 78 Ca 0.24 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1s9d h LYS 78 Cb 0.54 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1s9d h LYS 78 CO -0.67 0.98 -0.02 0.78 -0.57 0.00 0.00 179.45 179.95 1s9d h GLY 79 N 0.84 1.05 0.99 3.86 0.00 -0.55 -0.97 103.07 108.29 1s9d h GLY 79 Ca 0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1s9d h GLY 79 CO 0.03 0.73 0.24 -2.22 0.00 0.00 0.00 176.54 175.32 1s9d h ILE 80 N 0.85 1.22 -0.79 2.60 1.08 -0.80 -1.42 117.51 120.26 1s9d h ILE 80 Ca 0.15 -0.69 0.08 0.00 -0.39 0.00 0.00 64.86 64.02 1s9d h ILE 80 Cb 0.57 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1s9d h ILE 80 CO 0.03 0.27 0.52 -0.61 -0.69 0.00 0.00 178.15 177.67 1s9d h GLN 81 N 0.79 0.76 -0.14 2.37 4.15 -0.59 -0.81 115.11 121.63 1s9d h GLN 81 Ca 0.19 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.37 1s9d h GLN 81 Cb 0.19 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.72 1s9d h GLN 81 CO -0.02 0.50 -0.70 0.35 -1.93 0.00 0.00 178.83 177.03 1s9d h PHE 82 N 0.78 0.98 -0.24 3.99 3.57 -0.80 -2.15 116.94 123.07 1s9d h PHE 82 Ca 0.36 -0.43 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1s9d h PHE 82 Cb 0.36 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1s9d h PHE 82 CO -0.00 1.25 0.00 -0.07 -2.23 0.00 0.00 178.31 177.26 1s9d h LEU 83 N 0.43 0.41 -0.32 0.59 3.38 -0.66 -2.23 115.31 116.90 1s9d h LEU 83 Ca -0.05 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1s9d h LEU 83 Cb 1.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1s9d h LEU 83 CO 0.14 0.62 -0.05 -0.37 0.09 0.00 0.00 178.44 178.87 1s9d h VAL 84 N 0.19 1.27 0.00 1.22 -1.51 -1.22 -1.42 116.25 114.79 1s9d h VAL 84 Ca 0.07 -1.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.42 1s9d h VAL 84 Cb 0.41 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1s9d h VAL 84 CO 0.01 0.35 -0.25 -0.33 -1.23 0.00 0.00 177.57 176.12 1s9d h GLU 85 N 0.38 0.00 -0.57 5.19 5.08 -1.40 -2.46 114.58 120.80 1s9d h GLU 85 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s9d h GLU 85 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1s9d h GLU 85 CO 0.03 0.25 0.00 0.09 -1.00 0.00 0.00 179.01 178.37 1s9d n ASN 86 N -3.86 3.53 -1.28 1.42 3.02 -0.84 -4.96 115.26 112.29 1s9d n ASN 86 Ca -0.02 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.44 1s9d n ASN 86 Cb 0.34 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1s9d n ASN 86 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s9d n GLU 87 N 1.46 -0.99 -0.02 3.52 1.02 -0.77 -4.89 120.64 119.97 1s9d n GLU 87 Ca 0.22 0.53 0.07 0.00 -0.02 0.00 0.00 57.16 57.95 1s9d n GLU 87 Cb 0.58 -4.63 0.07 0.00 -0.02 0.00 0.00 31.44 27.45 1s9d n GLU 87 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s9d n LEU 88 N -1.62 2.29 -3.65 -4.62 4.77 -0.61 -4.96 117.00 108.61 1s9d n LEU 88 Ca -0.13 -1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 54.66 1s9d n LEU 88 Cb 0.60 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1s9d n LEU 88 CO 0.16 0.44 0.33 -0.22 -1.33 0.00 0.00 177.39 176.76 1s9d s LEU 89 N -1.17 -0.81 0.19 2.23 2.96 -1.23 -4.95 118.68 115.89 1s9d s LEU 89 Ca 0.18 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 1s9d s LEU 89 Cb 0.12 2.28 -0.08 0.00 0.50 0.00 0.00 46.19 49.01 1s9d s LEU 89 CO 0.18 -0.24 1.21 -1.58 -1.32 0.00 0.00 176.35 174.61 1s9d s GLN 90 N 1.41 4.48 -0.71 1.98 0.74 -1.26 -4.18 119.66 122.12 1s9d s GLN 90 Ca -0.08 1.90 -0.07 0.00 0.05 0.00 0.00 55.36 57.15 1s9d s GLN 90 Cb -0.05 -3.23 -0.16 0.00 1.10 0.00 0.00 33.01 30.67 1s9d s GLN 90 CO -0.16 -0.11 3.25 -1.71 -0.55 0.00 0.00 175.29 176.01 1s9d n ASN 91 N 2.52 6.80 -4.37 6.67 5.15 -1.26 -4.25 115.26 126.52 1s9d n ASN 91 Ca 0.05 -2.60 -0.30 0.00 -0.60 0.00 0.00 54.58 51.12 1s9d n ASN 91 Cb 0.44 -1.45 -0.14 0.00 -0.53 0.00 0.00 39.78 38.10 1s9d n ASN 91 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1s9d s THR 92 N 1.07 2.20 0.34 -0.44 -4.23 -1.26 -5.03 115.64 108.29 1s9d s THR 92 Ca 0.67 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 1s9d s THR 92 Cb 0.27 -1.91 0.34 0.00 1.34 0.00 0.00 72.50 72.53 1s9d s THR 92 CO -0.04 0.25 1.71 -0.65 -0.54 0.00 0.00 174.62 175.35 1s9d h PRO 93 N 4.40 0.44 -0.28 3.99 0.11 -1.91 0.12 132.00 138.87 1s9d h PRO 93 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1s9d h PRO 93 Cb 1.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1s9d h PRO 93 CO 0.42 0.29 -0.16 0.93 -0.21 0.00 0.00 178.00 179.27 1s9d h GLU 94 N 0.46 0.61 -0.00 1.05 3.07 -1.93 -1.14 114.58 116.69 1s9d h GLU 94 Ca 0.67 -0.28 -0.20 0.00 -0.50 0.00 0.00 59.36 59.05 1s9d h GLU 94 Cb 1.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 1s9d h GLU 94 CO -0.48 0.86 -0.88 0.93 -1.40 0.00 0.00 179.01 178.04 1s9d h GLU 95 N 0.35 0.27 -0.34 2.33 4.39 -1.55 -1.96 114.58 118.07 1s9d h GLU 95 Ca 0.06 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1s9d h GLU 95 Cb 0.69 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1s9d h GLU 95 CO 0.05 0.99 0.03 0.82 -1.16 0.00 0.00 179.01 179.74 1s9d h ILE 96 N 0.16 1.25 -0.65 3.13 2.04 -0.95 -1.67 117.51 120.81 1s9d h ILE 96 Ca -0.05 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1s9d h ILE 96 Cb 1.50 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1s9d h ILE 96 CO 0.14 0.29 0.24 0.00 0.00 0.00 0.00 178.15 178.82 1s9d h ALA 97 N 0.88 0.85 -0.14 1.87 0.00 -1.13 -1.52 119.26 120.07 1s9d h ALA 97 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1s9d h ALA 97 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s9d h ALA 97 CO 0.01 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.79 1s9d h ARG 98 N 0.93 0.19 -0.26 0.00 3.08 -1.23 -0.37 114.38 116.72 1s9d h ARG 98 Ca 0.22 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 1s9d h ARG 98 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1s9d h ARG 98 CO -0.01 0.18 -0.26 0.35 -1.07 0.00 0.00 179.97 179.15 1s9d h PHE 99 N 0.20 0.76 -0.51 3.04 3.57 -0.34 -3.21 116.94 120.44 1s9d h PHE 99 Ca 0.05 -0.23 -0.12 0.00 3.53 0.00 0.00 57.97 61.20 1s9d h PHE 99 Cb 0.06 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1s9d h PHE 99 CO 0.00 0.95 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.79 1s9d h LEU 100 N 0.35 1.01 -8.97 0.59 3.38 -0.94 -3.34 115.31 107.39 1s9d h LEU 100 Ca 0.04 -0.36 -0.57 0.00 0.09 0.00 0.00 57.88 57.08 1s9d h LEU 100 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1s9d h LEU 100 CO 0.06 1.15 1.28 -0.47 0.09 0.00 0.00 178.44 180.56 1s9d s TYR 101 N -4.75 1.71 -1.76 1.13 5.04 -0.19 -1.75 117.35 116.78 1s9d s TYR 101 Ca -0.11 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 1s9d s TYR 101 Cb 0.13 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1s9d s TYR 101 CO 0.87 -3.38 0.00 1.63 -1.34 0.00 0.00 175.55 173.33 1s9d n LYS 102 N 8.24 -1.71 -2.39 4.97 5.02 -1.26 -4.93 118.16 126.10 1s9d n LYS 102 Ca 0.23 1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 57.10 1s9d n LYS 102 Cb 0.46 -5.65 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 1s9d n LYS 102 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1s9d s GLY 103 N -2.08 2.04 0.44 0.72 0.00 -0.72 -4.96 107.32 102.76 1s9d s GLY 103 Ca 0.00 0.70 -0.26 0.00 0.00 0.00 0.00 44.72 45.17 1s9d s GLY 103 CO 0.00 2.29 1.45 -1.83 0.00 0.00 0.00 173.10 175.01 1s9d s GLU 104 N 2.23 3.73 -0.12 2.90 -1.05 -1.26 -3.09 118.70 122.04 1s9d s GLU 104 Ca 0.58 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.87 1s9d s GLU 104 Cb -0.27 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1s9d s GLU 104 CO 0.23 -0.80 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1s9d n GLY 105 N 0.55 0.38 3.60 -3.83 0.00 -1.26 -4.99 105.19 99.64 1s9d n GLY 105 Ca 0.04 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1s9d n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9d s LEU 106 N -0.25 3.64 -0.13 0.99 1.43 -1.18 -4.71 118.68 118.48 1s9d s LEU 106 Ca 0.00 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 1s9d s LEU 106 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1s9d s LEU 106 CO 0.00 0.19 1.34 0.21 0.23 0.00 0.00 176.35 178.32 1s9d s ASN 107 N 0.25 6.90 0.55 2.29 3.84 -1.26 -4.50 114.94 123.02 1s9d s ASN 107 Ca 0.02 1.83 0.23 0.00 0.21 0.00 0.00 52.86 55.14 1s9d s ASN 107 Cb -0.13 -2.54 1.53 0.00 -0.55 0.00 0.00 41.25 39.56 1s9d s ASN 107 CO 0.01 -0.77 2.19 0.11 -2.79 0.00 0.00 177.10 175.84 1s9d h LYS 108 N 8.36 0.00 -0.26 0.43 1.57 -1.93 -1.01 116.57 123.72 1s9d h LYS 108 Ca -0.30 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 1s9d h LYS 108 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1s9d h LYS 108 CO 0.96 0.00 -0.52 1.15 -0.57 0.00 0.00 179.45 180.47 1s9d h THR 109 N 0.00 1.29 -0.57 -0.16 2.02 -1.91 -1.04 112.91 112.55 1s9d h THR 109 Ca 0.01 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1s9d h THR 109 Cb 0.06 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1s9d h THR 109 CO -0.00 0.55 0.33 0.00 0.37 0.00 0.00 175.52 176.78 1s9d h ALA 110 N 0.84 0.72 -0.18 6.16 0.00 -1.56 0.16 119.26 125.40 1s9d h ALA 110 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1s9d h ALA 110 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1s9d h ALA 110 CO 0.11 0.21 0.06 0.82 0.00 0.00 0.00 179.25 180.45 1s9d h ILE 111 N 0.76 0.95 -0.59 0.00 2.04 -1.16 -1.04 117.51 118.47 1s9d h ILE 111 Ca 0.20 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1s9d h ILE 111 Cb -0.00 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1s9d h ILE 111 CO -0.04 0.03 0.29 1.23 0.00 0.00 0.00 178.15 179.66 1s9d h GLY 112 N 0.15 0.89 0.99 5.37 0.00 -0.89 -0.42 103.07 109.15 1s9d h GLY 112 Ca 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1s9d h GLY 112 CO -0.08 0.39 -0.03 -0.55 0.00 0.00 0.00 176.54 176.27 1s9d h ASP 113 N 0.83 0.79 -0.35 0.19 3.32 -0.42 -1.40 116.42 119.39 1s9d h ASP 113 Ca 0.21 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1s9d h ASP 113 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1s9d h ASP 113 CO -0.03 0.93 0.01 0.22 -1.72 0.00 0.00 179.24 178.65 1s9d h TYR 114 N 0.64 0.67 0.00 4.55 3.20 -0.72 -2.82 116.97 122.48 1s9d h TYR 114 Ca 0.12 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1s9d h TYR 114 Cb 0.54 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1s9d h TYR 114 CO 0.04 0.71 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.11 1s9d h LEU 115 N 0.43 0.00 -1.24 2.82 3.38 -0.97 -2.94 115.31 116.79 1s9d h LEU 115 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s9d h LEU 115 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1s9d h LEU 115 CO 0.02 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1s9d n GLY 116 N -0.23 0.36 3.80 0.83 0.00 -0.54 -4.78 105.19 104.63 1s9d n GLY 116 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1s9d n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9d s GLU 117 N -1.89 3.62 0.28 1.61 0.41 -1.11 -4.83 118.70 116.79 1s9d s GLU 117 Ca 0.35 1.36 0.25 0.00 -0.41 0.00 0.00 54.97 56.52 1s9d s GLU 117 Cb 0.20 -2.07 0.54 0.00 -1.78 0.00 0.00 34.13 31.02 1s9d s GLU 117 CO 0.31 -0.58 1.62 0.00 -0.49 0.00 0.00 175.26 176.12 1s9d h ARG 118 N 1.24 0.00 -6.72 1.61 3.08 -1.91 -3.39 114.38 108.29 1s9d h ARG 118 Ca -0.49 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 58.99 1s9d h ARG 118 Cb 1.23 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.41 1s9d h ARG 118 CO 0.58 0.00 0.21 0.39 -1.07 0.00 0.00 179.97 180.08 1s9d n GLU 119 N -2.57 1.33 -0.07 0.04 4.71 -1.26 -4.75 120.64 118.06 1s9d n GLU 119 Ca 0.04 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.68 1s9d n GLU 119 Cb 0.47 -2.13 0.29 0.00 -1.01 0.00 0.00 31.44 29.06 1s9d n GLU 119 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1s9d h GLU 120 N 1.35 0.69 -0.15 3.49 4.39 -2.00 -1.82 114.58 120.53 1s9d h GLU 120 Ca -0.46 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.17 1s9d h GLU 120 Cb 1.34 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1s9d h GLU 120 CO 0.56 0.58 -0.05 1.25 -1.16 0.00 0.00 179.01 180.19 1s9d h LEU 121 N 0.69 -0.16 -1.03 1.33 5.85 -1.96 -1.27 115.31 118.74 1s9d h LEU 121 Ca 0.17 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1s9d h LEU 121 Cb 0.15 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1s9d h LEU 121 CO -0.02 -0.06 -0.05 0.78 -0.34 0.00 0.00 178.44 178.75 1s9d h ASN 122 N -0.01 0.61 -0.00 1.25 2.35 -1.65 -0.46 115.58 117.66 1s9d h ASN 122 Ca 0.08 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 1s9d h ASN 122 Cb 0.13 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1s9d h ASN 122 CO -0.16 0.71 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.91 1s9d h LEU 123 N 0.59 0.50 -0.59 1.61 3.38 -1.06 0.36 115.31 120.11 1s9d h LEU 123 Ca 0.11 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1s9d h LEU 123 Cb 0.45 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1s9d h LEU 123 CO 0.02 0.82 -0.16 0.00 0.09 0.00 0.00 178.44 179.21 1s9d h ALA 124 N 1.21 0.79 -0.60 1.53 0.00 -0.41 -1.48 119.26 120.29 1s9d h ALA 124 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1s9d h ALA 124 Cb 0.81 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1s9d h ALA 124 CO 0.07 0.66 0.25 0.28 0.00 0.00 0.00 179.25 180.50 1s9d h VAL 125 N 0.84 1.23 -0.32 0.00 2.07 -0.92 -1.74 116.25 117.41 1s9d h VAL 125 Ca 0.12 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1s9d h VAL 125 Cb 0.71 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1s9d h VAL 125 CO 0.05 0.27 0.19 0.25 0.02 0.00 0.00 177.57 178.35 1s9d h LEU 126 N 0.83 0.39 -0.70 2.57 5.85 -0.53 0.32 115.31 124.05 1s9d h LEU 126 Ca 0.20 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1s9d h LEU 126 Cb 0.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1s9d h LEU 126 CO -0.02 0.35 0.28 0.45 -0.34 0.00 0.00 178.44 179.16 1s9d h HIS 127 N 0.41 1.06 0.00 1.25 3.86 -1.20 0.54 115.15 121.07 1s9d h HIS 127 Ca 0.11 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1s9d h HIS 127 Cb 0.03 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1s9d h HIS 127 CO -0.04 0.82 -0.39 0.00 0.86 0.00 0.00 177.93 179.19 1s9d h ALA 128 N 1.13 1.19 -0.11 2.45 0.00 -0.53 -0.47 119.26 122.92 1s9d h ALA 128 Ca 0.23 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1s9d h ALA 128 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1s9d h ALA 128 CO -0.02 0.48 -0.39 0.35 0.00 0.00 0.00 179.25 179.68 1s9d h PHE 129 N 0.00 0.59 -0.94 0.00 3.57 0.11 -2.53 116.94 117.74 1s9d h PHE 129 Ca -0.00 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.31 1s9d h PHE 129 Cb 0.77 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1s9d h PHE 129 CO 0.00 0.99 0.61 0.28 -2.23 0.00 0.00 178.31 177.96 1s9d h VAL 130 N 0.02 1.09 0.00 1.41 2.07 -0.63 -2.55 116.25 117.65 1s9d h VAL 130 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1s9d h VAL 130 Cb 1.02 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1s9d h VAL 130 CO 0.08 0.20 0.00 0.44 0.02 0.00 0.00 177.57 178.31 1s9d h ASP 131 N 1.09 0.00 1.45 0.57 3.32 -0.65 -1.87 116.42 120.34 1s9d h ASP 131 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1s9d h ASP 131 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1s9d h ASP 131 CO -0.15 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.55 1s9d n LEU 132 N -2.72 0.81 -4.88 1.55 4.77 -0.96 -4.87 117.00 110.70 1s9d n LEU 132 Ca -0.01 0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 1s9d n LEU 132 Cb 0.14 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1s9d n LEU 132 CO 0.19 -0.19 0.36 -1.00 -1.33 0.00 0.00 177.39 175.42 1s9d s HIS 133 N -3.11 3.45 -0.32 -1.77 3.76 -0.70 -5.05 115.29 111.55 1s9d s HIS 133 Ca 0.11 0.96 0.01 0.00 -0.15 0.00 0.00 55.06 55.98 1s9d s HIS 133 Cb 0.12 -2.36 0.08 0.00 1.11 0.00 0.00 32.58 31.53 1s9d s HIS 133 CO 0.59 0.02 0.03 -1.21 -0.85 0.00 0.00 174.74 173.32 1s9d s GLU 134 N -3.56 2.05 0.00 1.40 0.41 -1.26 -4.96 118.70 112.77 1s9d s GLU 134 Ca 0.50 -1.56 0.11 0.00 -0.41 0.00 0.00 54.97 53.61 1s9d s GLU 134 Cb -0.10 -3.20 0.26 0.00 -1.78 0.00 0.00 34.13 29.31 1s9d s GLU 134 CO 0.28 -0.78 1.16 1.19 -0.49 0.00 0.00 175.26 176.62 1s9d n PHE 135 N 4.47 0.35 -1.93 1.61 3.72 -1.26 -5.01 117.46 119.42 1s9d n PHE 135 Ca -0.07 -0.37 -0.40 0.00 -0.05 0.00 0.00 57.45 56.56 1s9d n PHE 135 Cb 0.42 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1s9d n PHE 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1s9d s THR 136 N -0.99 2.33 0.00 4.37 2.01 -1.26 -2.39 115.64 119.71 1s9d s THR 136 Ca 0.21 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1s9d s THR 136 Cb 0.12 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1s9d s THR 136 CO 0.16 0.06 0.00 0.47 -0.69 0.00 0.00 174.62 174.62 1s9d n ASP 137 N 0.31 -4.39 -4.90 3.53 8.00 -1.26 -5.00 116.55 112.83 1s9d n ASP 137 Ca 0.02 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 1s9d n ASP 137 Cb 0.41 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.12 39.35 1s9d n ASP 137 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s9d s LEU 138 N 0.00 4.31 0.91 0.64 1.43 -1.01 -5.11 118.68 119.86 1s9d s LEU 138 Ca 0.00 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1s9d s LEU 138 Cb 0.00 -2.79 0.16 0.00 0.03 0.00 0.00 46.19 43.58 1s9d s LEU 138 CO 0.00 0.20 1.25 0.54 0.23 0.00 0.00 176.35 178.58 1s9d s ASN 139 N -2.29 3.58 0.19 2.29 2.20 -1.26 -4.80 114.94 114.85 1s9d s ASN 139 Ca 0.32 0.50 -0.09 0.00 -0.94 0.00 0.00 52.86 52.65 1s9d s ASN 139 Cb -0.13 -0.74 0.11 0.00 -2.00 0.00 0.00 41.25 38.49 1s9d s ASN 139 CO 0.24 -2.46 1.71 0.25 -2.94 0.00 0.00 177.10 173.90 1s9d h LEU 140 N -1.45 1.06 -0.20 3.54 5.85 -1.99 -1.89 115.31 120.22 1s9d h LEU 140 Ca -0.45 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 57.98 1s9d h LEU 140 Cb 1.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1s9d h LEU 140 CO 0.49 1.02 -0.07 0.58 -0.34 0.00 0.00 178.44 180.12 1s9d h VAL 141 N 1.05 1.30 -0.76 1.05 2.07 -1.96 -0.26 116.25 118.74 1s9d h VAL 141 Ca 0.22 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.75 1s9d h VAL 141 Cb 0.37 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1s9d h VAL 141 CO 0.00 0.33 0.38 1.56 0.02 0.00 0.00 177.57 179.86 1s9d h GLN 142 N 0.12 0.59 -0.49 1.57 4.20 -1.89 0.35 115.11 119.54 1s9d h GLN 142 Ca 0.05 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1s9d h GLN 142 Cb 0.54 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1s9d h GLN 142 CO 0.02 0.39 -0.05 0.00 -0.67 0.00 0.00 178.83 178.52 1s9d h ALA 143 N 1.48 0.67 -0.35 3.87 0.00 -1.24 -2.74 119.26 120.94 1s9d h ALA 143 Ca 0.39 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1s9d h ALA 143 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1s9d h ALA 143 CO -0.30 0.52 0.05 -0.07 0.00 0.00 0.00 179.25 179.45 1s9d h LEU 144 N 0.76 0.48 -0.88 0.00 3.38 -0.47 -0.27 115.31 118.31 1s9d h LEU 144 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1s9d h LEU 144 Cb 0.58 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1s9d h LEU 144 CO 0.04 0.51 -0.07 0.03 0.09 0.00 0.00 178.44 179.04 1s9d h ARG 145 N 0.51 0.76 -0.18 1.13 3.08 -0.72 0.58 114.38 119.53 1s9d h ARG 145 Ca 0.12 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1s9d h ARG 145 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1s9d h ARG 145 CO 0.00 0.81 -0.06 0.37 -1.07 0.00 0.00 179.97 180.02 1s9d h GLN 146 N 0.69 0.36 -0.43 0.04 4.15 -1.08 -2.69 115.11 116.16 1s9d h GLN 146 Ca 0.13 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1s9d h GLN 146 Cb 0.52 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1s9d h GLN 146 CO 0.03 0.64 0.20 0.35 -1.93 0.00 0.00 178.83 178.12 1s9d h PHE 147 N 0.06 0.62 -0.00 3.99 3.57 -0.70 -2.53 116.94 121.95 1s9d h PHE 147 Ca 0.04 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s9d h PHE 147 Cb 0.52 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1s9d h PHE 147 CO 0.06 0.51 0.00 1.28 -2.23 0.00 0.00 178.31 177.93 1s9d n LEU 148 N -4.66 0.04 0.09 0.59 4.77 0.16 -1.78 117.00 116.21 1s9d n LEU 148 Ca 0.01 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1s9d n LEU 148 Cb 0.12 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1s9d n LEU 148 CO 0.37 0.01 0.02 -0.25 -1.33 0.00 0.00 177.39 176.20 1s9d h TRP 149 N 0.06 0.00 0.00 -1.77 2.91 -1.09 -3.38 115.95 112.67 1s9d h TRP 149 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1s9d h TRP 149 Cb 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1s9d h TRP 149 CO 0.00 0.26 0.00 0.77 -1.03 0.00 0.00 178.44 178.44 1s9d h SER 150 N 0.00 0.00 -4.76 2.65 0.02 -1.35 -3.45 113.55 106.66 1s9d h SER 150 Ca -0.06 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1s9d h SER 150 Cb 1.25 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.64 1s9d h SER 150 CO 0.02 0.00 0.38 0.72 -1.14 0.00 0.00 176.83 176.81 1s9d s PHE 151 N -3.39 -0.43 -0.36 3.45 -0.12 -1.26 -4.77 117.98 111.10 1s9d s PHE 151 Ca 0.05 0.31 -0.25 0.00 -0.05 0.00 0.00 56.93 56.99 1s9d s PHE 151 Cb 0.09 0.54 0.01 0.00 -0.63 0.00 0.00 43.02 43.03 1s9d s PHE 151 CO 0.52 -0.65 0.90 0.50 -0.05 0.00 0.00 175.22 176.44 1s9d s ARG 152 N -3.18 3.83 0.10 1.99 6.06 -0.49 -4.74 118.95 122.53 1s9d s ARG 152 Ca 0.03 0.54 -0.33 0.00 -2.50 0.00 0.00 55.73 53.46 1s9d s ARG 152 Cb -0.01 -3.80 -0.12 0.00 0.06 0.00 0.00 34.95 31.08 1s9d s ARG 152 CO -0.09 -0.92 1.74 -0.11 -2.50 0.00 0.00 175.30 173.41 1s9d n LEU 153 N 6.69 3.56 -4.58 -0.88 7.94 -1.26 -4.24 117.00 124.23 1s9d n LEU 153 Ca 0.06 1.03 -0.29 0.00 -1.11 0.00 0.00 56.01 55.70 1s9d n LEU 153 Cb 0.48 -1.47 0.21 0.00 0.53 0.00 0.00 43.42 43.17 1s9d n LEU 153 CO 0.57 -0.04 0.58 -2.84 -1.11 0.00 0.00 177.39 174.55 1s9d s PRO 154 N 2.15 -0.10 0.01 1.96 0.02 -1.26 -4.98 135.00 132.80 1s9d s PRO 154 Ca 0.82 0.91 0.22 0.00 0.02 0.00 0.00 61.00 62.98 1s9d s PRO 154 Cb -0.60 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 1s9d s PRO 154 CO 0.40 -3.19 0.99 0.41 -0.33 0.00 0.00 177.00 175.27 1s9d n GLY 155 N 0.15 -1.09 3.74 0.52 0.00 -1.26 -4.70 105.19 102.56 1s9d n GLY 155 Ca 0.05 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1s9d n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9d s GLU 156 N -3.08 4.46 0.24 1.61 8.01 -1.26 -4.98 118.70 123.70 1s9d s GLU 156 Ca 0.06 0.98 -0.07 0.00 0.01 0.00 0.00 54.97 55.96 1s9d s GLU 156 Cb 0.16 -3.37 0.23 0.00 -4.31 0.00 0.00 34.13 26.84 1s9d s GLU 156 CO 0.83 0.26 1.90 0.00 0.01 0.00 0.00 175.26 178.26 1s9d h ALA 157 N 5.82 1.21 -0.91 5.21 0.00 -1.99 -1.65 119.26 126.94 1s9d h ALA 157 Ca -0.44 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.49 1s9d h ALA 157 Cb 1.20 -0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1s9d h ALA 157 CO 0.71 0.64 0.55 -0.56 0.00 0.00 0.00 179.25 180.60 1s9d h GLN 158 N 1.30 0.87 -0.01 0.00 -0.00 -2.00 0.56 115.11 115.85 1s9d h GLN 158 Ca 0.34 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.93 1s9d h GLN 158 Cb -0.09 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.20 1s9d h GLN 158 CO -0.07 0.58 -0.03 0.87 -0.00 0.00 0.00 178.83 180.18 1s9d h LYS 159 N 0.90 0.03 -0.90 0.06 1.57 -1.76 -2.76 116.57 113.71 1s9d h LYS 159 Ca 0.44 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.30 1s9d h LYS 159 Cb 0.41 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1s9d h LYS 159 CO -0.25 0.70 0.54 0.82 -0.57 0.00 0.00 179.45 180.68 1s9d h ILE 160 N -0.63 0.91 0.16 1.86 2.04 -1.04 -1.62 117.51 119.19 1s9d h ILE 160 Ca -0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1s9d h ILE 160 Cb 0.71 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1s9d h ILE 160 CO 0.01 0.16 -0.31 -0.78 0.00 0.00 0.00 178.15 177.22 1s9d h ASP 161 N 0.87 -0.88 -0.36 1.72 3.58 -0.93 0.24 116.42 120.65 1s9d h ASP 161 Ca 0.44 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.93 1s9d h ASP 161 Cb 0.42 0.33 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1s9d h ASP 161 CO -0.26 -0.41 0.04 -0.09 -2.88 0.00 0.00 179.24 175.65 1s9d h ARG 162 N -0.56 0.71 -0.14 0.28 2.43 -1.17 -1.32 114.38 114.60 1s9d h ARG 162 Ca 0.02 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 1s9d h ARG 162 Cb 0.57 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1s9d h ARG 162 CO -0.16 0.69 -0.54 0.52 -1.51 0.00 0.00 179.97 178.98 1s9d h MET 163 N 0.67 0.41 -0.34 0.20 2.86 -0.82 -1.76 114.93 116.15 1s9d h MET 163 Ca 0.14 -0.25 -0.16 0.00 -2.06 0.00 0.00 59.70 57.37 1s9d h MET 163 Cb 0.36 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1s9d h MET 163 CO 0.01 0.84 -0.43 0.52 1.06 0.00 0.00 176.91 178.91 1s9d h MET 164 N 0.31 0.87 -0.60 1.72 2.86 -0.17 -1.96 114.93 117.98 1s9d h MET 164 Ca 0.01 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.12 1s9d h MET 164 Cb 1.04 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1s9d h MET 164 CO 0.09 1.13 0.21 1.49 1.06 0.00 0.00 176.91 180.89 1s9d h GLU 165 N 0.70 0.91 -0.70 1.72 4.81 -1.08 -0.21 114.58 120.74 1s9d h GLU 165 Ca 0.05 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1s9d h GLU 165 Cb 1.02 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1s9d h GLU 165 CO 0.10 0.80 0.33 0.00 -0.73 0.00 0.00 179.01 179.51 1s9d h ALA 166 N 1.07 0.90 -0.43 2.92 0.00 -1.30 -2.47 119.26 119.96 1s9d h ALA 166 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1s9d h ALA 166 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1s9d h ALA 166 CO -0.01 0.46 0.19 0.35 0.00 0.00 0.00 179.25 180.24 1s9d h PHE 167 N 0.97 0.63 -0.62 0.00 3.57 -1.18 -2.90 116.94 117.42 1s9d h PHE 167 Ca 0.24 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.82 1s9d h PHE 167 Cb 0.12 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.57 1s9d h PHE 167 CO 0.01 0.53 0.09 0.00 -2.23 0.00 0.00 178.31 176.71 1s9d h ALA 168 N 1.04 0.70 -0.56 2.41 0.00 -0.78 0.63 119.26 122.69 1s9d h ALA 168 Ca 0.14 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1s9d h ALA 168 Cb 0.15 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1s9d h ALA 168 CO -0.02 -0.34 0.31 1.96 0.00 0.00 0.00 179.25 181.16 1s9d h GLN 169 N 0.21 0.57 -0.27 0.00 4.20 -1.23 -1.30 115.11 117.29 1s9d h GLN 169 Ca 0.33 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.84 1s9d h GLN 169 Cb 0.51 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1s9d h GLN 169 CO -0.45 0.38 -0.49 -0.09 -0.67 0.00 0.00 178.83 177.51 1s9d h ARG 170 N 0.59 0.74 -0.61 1.46 9.65 -1.46 -1.97 114.38 122.77 1s9d h ARG 170 Ca 0.24 -0.43 0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1s9d h ARG 170 Cb 0.12 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 1s9d h ARG 170 CO -0.15 1.06 0.33 -0.92 2.80 0.00 0.00 179.97 183.09 1s9d h TYR 171 N 0.58 0.61 -0.14 2.20 3.20 -0.39 -2.79 116.97 120.25 1s9d h TYR 171 Ca 0.03 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.75 1s9d h TYR 171 Cb 1.06 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1s9d h TYR 171 CO 0.06 0.29 -0.63 0.00 -1.64 0.00 0.00 178.16 176.25 1s9d n LEU 173 N -3.91 0.75 -0.21 0.00 7.94 -0.75 -2.06 117.00 118.75 1s9d n LEU 173 Ca -0.04 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.49 1s9d n LEU 173 Cb 0.65 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1s9d n LEU 173 CO 0.47 0.13 0.02 0.59 -1.11 0.00 0.00 177.39 177.50 1s9d n ASN 175 N 0.67 -0.04 -4.77 1.96 3.02 -0.10 -5.08 115.26 110.92 1s9d n ASN 175 Ca 0.00 -0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.13 1s9d n ASN 175 Cb 0.13 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1s9d n ASN 175 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1s9d s PRO 176 N 0.14 3.78 0.00 3.52 0.02 -0.88 -2.79 135.00 138.80 1s9d s PRO 176 Ca 0.00 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1s9d s PRO 176 Cb 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.88 1s9d s PRO 176 CO 0.00 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1s9d n GLY 177 N 0.63 2.14 0.16 0.52 0.00 -1.26 -4.84 105.19 102.54 1s9d n GLY 177 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1s9d n GLY 177 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s9d h VAL 178 N 0.00 1.35 -4.02 1.61 2.07 -1.89 -3.44 116.25 111.93 1s9d h VAL 178 Ca 0.00 -1.50 -0.69 0.00 0.82 0.00 0.00 66.70 65.33 1s9d h VAL 178 Cb 0.00 1.91 -0.23 0.00 -1.52 0.00 0.00 31.29 31.45 1s9d h VAL 178 CO 0.00 0.45 -0.84 -0.36 0.02 0.00 0.00 177.57 176.84 1s9d s PHE 179 N -4.12 2.42 0.15 1.57 0.08 -1.26 -5.06 117.98 111.77 1s9d s PHE 179 Ca -0.13 -0.33 0.21 0.00 0.12 0.00 0.00 56.93 56.80 1s9d s PHE 179 Cb 0.06 -1.37 0.80 0.00 -0.57 0.00 0.00 43.02 41.94 1s9d s PHE 179 CO 0.79 0.26 1.78 1.96 -0.10 0.00 0.00 175.22 179.91 1s9d h GLN 180 N 4.33 0.00 -3.75 0.44 4.20 -1.98 -3.46 115.11 114.89 1s9d h GLN 180 Ca -0.48 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 1s9d h GLN 180 Cb 1.16 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.80 1s9d h GLN 180 CO 0.44 0.30 -0.32 -1.54 -0.67 0.00 0.00 178.83 177.04 1s9d s SER 181 N -6.32 0.06 0.31 1.46 1.04 -1.26 -5.04 113.70 103.96 1s9d s SER 181 Ca 0.00 -0.62 0.09 0.00 0.48 0.00 0.00 55.95 55.90 1s9d s SER 181 Cb 0.11 0.37 0.52 0.00 0.10 0.00 0.00 66.02 67.11 1s9d s SER 181 CO 0.66 -0.76 1.73 0.71 0.98 0.00 0.00 173.24 176.56 1s9d h THR 182 N 2.67 1.31 -0.94 2.02 1.35 -1.93 -2.95 112.91 114.44 1s9d h THR 182 Ca -0.34 -1.51 0.01 0.00 -0.55 0.00 0.00 66.41 64.02 1s9d h THR 182 Cb 1.21 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 69.31 1s9d h THR 182 CO 0.54 0.44 0.61 0.44 -0.25 0.00 0.00 175.52 177.31 1s9d h ASP 183 N 0.13 1.10 -0.56 5.36 3.32 -1.96 0.57 116.42 124.37 1s9d h ASP 183 Ca 0.01 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.05 1s9d h ASP 183 Cb 0.80 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1s9d h ASP 183 CO 0.06 0.81 0.33 0.74 -1.72 0.00 0.00 179.24 179.46 1s9d h THR 184 N 1.28 1.05 -0.55 0.35 2.02 -1.71 -0.92 112.91 114.44 1s9d h THR 184 Ca 0.34 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1s9d h THR 184 Cb -0.13 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1s9d h THR 184 CO -0.07 0.12 0.35 0.00 0.37 0.00 0.00 175.52 176.29 1s9d h TYR 186 N 0.70 0.51 -0.46 0.00 3.20 -0.58 0.61 116.97 120.95 1s9d h TYR 186 Ca 0.21 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1s9d h TYR 186 Cb -0.03 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1s9d h TYR 186 CO -0.05 0.67 0.04 0.28 -1.64 0.00 0.00 178.16 177.46 1s9d h VAL 187 N 0.20 1.25 -0.63 1.81 2.07 -1.17 -0.02 116.25 119.76 1s9d h VAL 187 Ca 0.06 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1s9d h VAL 187 Cb 0.50 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1s9d h VAL 187 CO 0.02 0.34 0.35 0.25 0.02 0.00 0.00 177.57 178.55 1s9d h LEU 188 N 0.64 0.78 -0.61 2.57 5.85 -1.22 -0.10 115.31 123.22 1s9d h LEU 188 Ca 0.13 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1s9d h LEU 188 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1s9d h LEU 188 CO 0.02 0.65 0.40 0.28 -0.34 0.00 0.00 178.44 179.44 1s9d h SER 189 N 0.85 0.68 -0.69 1.25 0.02 -0.54 -0.28 113.55 114.85 1s9d h SER 189 Ca 0.22 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1s9d h SER 189 Cb 0.04 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1s9d h SER 189 CO -0.04 0.49 0.23 0.22 -1.14 0.00 0.00 176.83 176.59 1s9d h TYR 190 N 0.80 1.10 0.00 3.45 3.20 -0.47 -2.28 116.97 122.77 1s9d h TYR 190 Ca 0.23 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1s9d h TYR 190 Cb -0.06 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 1s9d h TYR 190 CO -0.04 0.87 -0.14 0.66 -1.64 0.00 0.00 178.16 177.87 1s9d h SER 191 N 1.04 0.00 -0.27 -2.11 4.64 -0.07 0.90 113.55 117.67 1s9d h SER 191 Ca 0.23 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.39 1s9d h SER 191 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1s9d h SER 191 CO -0.01 0.14 -0.42 0.58 -0.87 0.00 0.00 176.83 176.25 1s9d h VAL 192 N 0.00 1.28 -0.43 0.95 2.07 -0.51 0.35 116.25 119.96 1s9d h VAL 192 Ca -0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1s9d h VAL 192 Cb 0.33 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1s9d h VAL 192 CO 0.02 0.53 0.18 0.40 0.02 0.00 0.00 177.57 178.72 1s9d h ILE 193 N 0.67 1.19 -0.68 4.57 1.08 -1.11 0.34 117.51 123.58 1s9d h ILE 193 Ca 0.05 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1s9d h ILE 193 Cb 0.99 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1s9d h ILE 193 CO 0.10 0.21 0.43 0.24 -0.69 0.00 0.00 178.15 178.44 1s9d h MET 194 N 0.54 0.81 -0.46 2.37 2.86 -0.47 -2.22 114.93 118.36 1s9d h MET 194 Ca 0.14 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1s9d h MET 194 Cb 0.17 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1s9d h MET 194 CO -0.01 0.54 0.01 1.25 1.06 0.00 0.00 176.91 179.75 1s9d h LEU 195 N 0.83 0.80 -0.92 1.22 5.85 0.32 0.58 115.31 123.99 1s9d h LEU 195 Ca 0.27 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1s9d h LEU 195 Cb 0.02 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1s9d h LEU 195 CO -0.11 0.90 0.60 -1.13 -0.34 0.00 0.00 178.44 178.37 1s9d h ASN 196 N 0.67 1.02 -0.15 1.25 -0.73 -0.12 -0.77 115.58 116.74 1s9d h ASN 196 Ca 0.13 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1s9d h ASN 196 Cb 0.49 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1s9d h ASN 196 CO 0.02 0.72 0.03 0.74 -0.37 0.00 0.00 177.43 178.57 1s9d h THR 197 N 1.20 1.22 -0.03 -3.57 2.02 -0.93 -0.71 112.91 112.10 1s9d h THR 197 Ca 0.36 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1s9d h THR 197 Cb -0.05 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1s9d h THR 197 CO -0.10 0.21 -0.08 -0.78 0.37 0.00 0.00 175.52 175.13 1s9d h ASP 198 N 0.04 -0.25 -0.40 4.18 1.82 0.66 -1.96 116.42 120.52 1s9d h ASP 198 Ca 0.05 0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 1s9d h ASP 198 Cb 0.29 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1s9d h ASP 198 CO 0.00 -0.12 -0.11 -0.07 -1.61 0.00 0.00 179.24 177.33 1s9d h LEU 199 N -0.13 0.79 0.00 2.28 3.38 -1.20 -3.39 115.31 117.04 1s9d h LEU 199 Ca 0.04 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1s9d h LEU 199 Cb 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s9d h LEU 199 CO -0.11 0.98 -0.47 1.41 0.09 0.00 0.00 178.44 180.34 1s9d n HIS 200 N -4.32 0.00 -2.70 1.13 8.25 -0.28 -4.87 115.22 112.43 1s9d n HIS 200 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1s9d n HIS 200 Cb 0.37 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 1s9d n HIS 200 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1s9d s ASN 201 N -1.88 6.85 0.24 0.41 3.84 -0.74 -4.92 114.94 118.73 1s9d s ASN 201 Ca 0.03 0.91 0.21 0.00 0.21 0.00 0.00 52.86 54.22 1s9d s ASN 201 Cb 0.06 -2.51 0.95 0.00 -0.55 0.00 0.00 41.25 39.19 1s9d s ASN 201 CO 0.34 -0.86 1.64 -2.65 -2.79 0.00 0.00 177.10 172.79 1s9d n PRO 202 N 6.80 0.15 0.24 0.43 -0.02 -1.26 -1.68 135.00 139.67 1s9d n PRO 202 Ca 0.10 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 1s9d n PRO 202 Cb 0.47 -1.84 0.50 0.00 -0.02 0.00 0.00 33.50 32.61 1s9d n PRO 202 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1s9d h ASN 203 N 0.00 0.00 -3.66 2.55 2.35 -1.94 -3.39 115.58 111.49 1s9d h ASN 203 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 1s9d h ASN 203 Cb 0.25 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 1s9d h ASN 203 CO 0.00 0.10 0.92 -0.69 -1.65 0.00 0.00 177.43 176.11 1s9d s VAL 204 N -3.56 4.23 -0.01 2.81 1.01 -0.68 -4.94 120.40 119.26 1s9d s VAL 204 Ca 0.02 1.28 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 1s9d s VAL 204 Cb 0.09 -4.57 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 1s9d s VAL 204 CO 0.60 -0.95 1.29 0.03 0.00 0.00 0.00 175.10 176.08 1s9d h ARG 205 N 9.14 -0.06 -5.96 2.72 3.08 -1.86 -3.44 114.38 118.00 1s9d h ARG 205 Ca -0.23 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.15 1s9d h ARG 205 Cb 1.06 0.01 -0.24 0.00 0.08 0.00 0.00 29.97 30.89 1s9d h ARG 205 CO 1.12 0.36 -0.76 -0.51 -1.07 0.00 0.00 179.97 179.11 1s9d s ASP 206 N -5.56 4.12 0.01 7.04 1.01 -1.26 -5.11 116.67 116.92 1s9d s ASP 206 Ca -0.15 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 52.90 1s9d s ASP 206 Cb 0.02 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1s9d s ASP 206 CO 0.65 0.29 0.06 -0.54 0.21 0.00 0.00 175.17 175.83 1s9d s LYS 207 N -0.36 2.98 0.14 8.23 -0.14 -1.26 -4.99 119.74 124.34 1s9d s LYS 207 Ca 0.04 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 53.79 1s9d s LYS 207 Cb -0.12 -2.80 -0.10 0.00 -1.68 0.00 0.00 37.83 33.12 1s9d s LYS 207 CO 0.02 0.63 1.76 -1.64 -0.76 0.00 0.00 175.35 175.36 1s9d s MET 208 N -1.79 4.15 0.97 1.68 -1.94 -1.26 -5.01 119.30 116.09 1s9d s MET 208 Ca 0.23 2.54 -0.13 0.00 -1.71 0.00 0.00 55.69 56.62 1s9d s MET 208 Cb -0.12 -3.42 0.17 0.00 2.01 0.00 0.00 34.83 33.47 1s9d s MET 208 CO 0.14 -0.78 1.12 0.20 -0.01 0.00 0.00 175.02 175.69 1s9d s GLY 209 N 2.14 1.58 0.21 -0.03 0.00 -1.26 -4.89 107.32 105.06 1s9d s GLY 209 Ca 0.77 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.82 1s9d s GLY 209 CO 0.34 0.08 1.62 -2.00 0.00 0.00 0.00 173.10 173.15 1s9d h LEU 210 N -1.75 -0.62 -0.64 0.66 5.85 -1.99 -2.12 115.31 114.70 1s9d h LEU 210 Ca -0.52 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1s9d h LEU 210 Cb 1.33 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.70 1s9d h LEU 210 CO 0.58 -0.21 0.35 -0.33 -0.34 0.00 0.00 178.44 178.48 1s9d h GLU 211 N -0.02 0.63 -0.77 1.25 3.07 -1.99 0.35 114.58 117.10 1s9d h GLU 211 Ca 0.29 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.18 1s9d h GLU 211 Cb 0.46 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1s9d h GLU 211 CO -0.64 0.42 0.46 0.00 -1.40 0.00 0.00 179.01 177.84 1s9d h ARG 212 N 0.65 0.81 -0.58 2.33 2.47 -1.76 -1.73 114.38 116.56 1s9d h ARG 212 Ca 0.29 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.91 1s9d h ARG 212 Cb 0.18 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1s9d h ARG 212 CO -0.18 0.53 0.18 0.35 0.56 0.00 0.00 179.97 181.41 1s9d h PHE 213 N 0.83 0.95 -0.43 3.04 3.57 -0.95 0.18 116.94 124.13 1s9d h PHE 213 Ca 0.34 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 1s9d h PHE 213 Cb 0.19 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1s9d h PHE 213 CO -0.05 0.79 -0.25 0.28 -2.23 0.00 0.00 178.31 176.85 1s9d h VAL 214 N 0.83 1.27 -0.20 1.41 2.07 -0.80 -2.96 116.25 117.87 1s9d h VAL 214 Ca 0.19 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1s9d h VAL 214 Cb 0.29 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1s9d h VAL 214 CO -0.00 0.47 -0.39 0.00 0.02 0.00 0.00 177.57 177.66 1s9d h ALA 215 N 0.95 0.95 -0.57 1.67 0.00 -0.84 -2.90 119.26 118.51 1s9d h ALA 215 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1s9d h ALA 215 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1s9d h ALA 215 CO 0.07 0.62 0.38 1.98 0.00 0.00 0.00 179.25 182.30 1s9d h MET 216 N 0.38 0.74 -0.44 0.00 -1.53 -0.50 -1.94 114.93 111.64 1s9d h MET 216 Ca 0.04 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1s9d h MET 216 Cb 0.86 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.74 1s9d h MET 216 CO 0.07 0.49 0.00 0.09 0.14 0.00 0.00 176.91 177.70 1s9d n ASN 217 N -4.45 2.45 -4.69 1.39 3.02 -1.10 -4.94 115.26 106.94 1s9d n ASN 217 Ca 0.06 -1.98 -0.44 0.00 -0.03 0.00 0.00 54.58 52.19 1s9d n ASN 217 Cb 0.06 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1s9d n ASN 217 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s9d n ARG 218 N 0.84 2.51 -0.68 3.52 5.12 -0.73 -2.79 116.66 124.45 1s9d n ARG 218 Ca 0.16 0.91 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 1s9d n ARG 218 Cb 0.39 -2.73 0.00 0.00 -1.16 0.00 0.00 32.46 28.96 1s9d n ARG 218 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s9d n GLY 219 N 3.82 0.83 0.04 -0.13 0.00 -0.95 -4.90 105.19 103.90 1s9d n GLY 219 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1s9d n GLY 219 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s9d n ILE 220 N -2.01 0.43 -2.42 -0.61 -5.35 -1.07 -1.74 119.36 106.59 1s9d n ILE 220 Ca 0.00 0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 62.08 1s9d n ILE 220 Cb 0.00 -0.69 0.01 0.00 -1.74 0.00 0.00 39.64 37.21 1s9d n ILE 220 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1s9d n ASN 221 N -1.75 7.02 -3.66 7.28 5.15 -0.69 -4.31 115.26 124.30 1s9d n ASN 221 Ca 0.05 -3.34 -0.22 0.00 -0.60 0.00 0.00 54.58 50.47 1s9d n ASN 221 Cb 0.31 -1.31 0.05 0.00 -0.53 0.00 0.00 39.78 38.30 1s9d n ASN 221 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1s9d n GLU 222 N 1.54 -5.88 0.00 1.20 -0.58 -1.25 -1.94 120.64 113.72 1s9d n GLU 222 Ca 0.47 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.91 1s9d n GLU 222 Cb 0.29 -5.50 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 1s9d n GLU 222 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s9d n GLY 223 N -1.55 3.02 1.16 0.62 0.00 -0.71 -5.04 105.19 102.68 1s9d n GLY 223 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1s9d n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9d n GLY 224 N -0.27 2.06 3.70 -0.02 0.00 -0.82 -4.35 105.19 105.49 1s9d n GLY 224 Ca 0.00 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 1s9d n GLY 224 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9d s ASP 225 N -2.06 5.22 0.69 1.61 1.01 -1.26 -1.71 116.67 120.17 1s9d s ASP 225 Ca 0.17 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.33 1s9d s ASP 225 Cb -0.01 -1.39 0.01 0.00 1.01 0.00 0.00 42.92 42.54 1s9d s ASP 225 CO 0.11 0.28 1.07 -0.76 0.21 0.00 0.00 175.17 176.07 1s9d s LEU 226 N -1.58 3.18 0.27 1.23 1.43 -1.26 -4.89 118.68 117.07 1s9d s LEU 226 Ca 0.20 1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 1s9d s LEU 226 Cb -0.12 -4.51 -0.11 0.00 0.03 0.00 0.00 46.19 41.49 1s9d s LEU 226 CO 0.11 -1.50 1.54 -2.84 0.23 0.00 0.00 176.35 173.88 1s9d s PRO 227 N -4.85 4.18 0.40 1.29 0.02 -1.26 -4.89 135.00 129.89 1s9d s PRO 227 Ca 0.60 2.47 0.13 0.00 0.02 0.00 0.00 61.00 64.22 1s9d s PRO 227 Cb -0.15 -3.06 0.96 0.00 0.02 0.00 0.00 34.50 32.27 1s9d s PRO 227 CO 0.52 -0.55 1.90 1.49 -0.33 0.00 0.00 177.00 180.03 1s9d h GLU 228 N 4.96 0.51 -0.55 5.54 4.81 -2.00 -2.24 114.58 125.61 1s9d h GLU 228 Ca -0.47 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1s9d h GLU 228 Cb 1.22 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1s9d h GLU 228 CO 0.79 0.34 0.09 1.49 -0.73 0.00 0.00 179.01 180.98 1s9d h GLU 229 N 0.52 0.87 -0.27 1.92 4.57 -1.99 0.13 114.58 120.34 1s9d h GLU 229 Ca 0.39 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1s9d h GLU 229 Cb 0.78 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1s9d h GLU 229 CO -0.15 0.81 0.11 1.25 -1.18 0.00 0.00 179.01 179.86 1s9d h LEU 230 N 0.83 0.38 -0.79 1.64 6.46 -1.79 -1.18 115.31 120.86 1s9d h LEU 230 Ca 0.17 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1s9d h LEU 230 Cb 0.37 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1s9d h LEU 230 CO 0.01 0.44 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.19 1s9d h LEU 231 N 0.29 0.88 -0.53 2.25 3.38 -1.32 -2.30 115.31 117.97 1s9d h LEU 231 Ca 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1s9d h LEU 231 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1s9d h LEU 231 CO -0.01 0.94 0.08 -0.09 0.09 0.00 0.00 178.44 179.45 1s9d h ARG 232 N 0.84 0.88 -0.85 1.13 2.43 -0.60 0.25 114.38 118.46 1s9d h ARG 232 Ca 0.16 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1s9d h ARG 232 Cb 0.50 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1s9d h ARG 232 CO 0.02 0.86 0.56 -0.91 -1.51 0.00 0.00 179.97 179.00 1s9d h ASN 233 N 0.76 0.92 -0.10 -3.80 2.35 -0.95 0.57 115.58 115.33 1s9d h ASN 233 Ca 0.16 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1s9d h ASN 233 Cb 0.42 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1s9d h ASN 233 CO 0.01 0.63 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.15 1s9d h LEU 234 N 1.07 0.36 0.06 1.61 3.38 -0.91 -2.18 115.31 118.71 1s9d h LEU 234 Ca 0.34 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1s9d h LEU 234 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1s9d h LEU 234 CO -0.10 0.85 -0.17 0.22 0.09 0.00 0.00 178.44 179.33 1s9d h TYR 235 N -0.12 -0.45 -0.85 1.13 3.20 -0.62 -2.10 116.97 117.16 1s9d h TYR 235 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1s9d h TYR 235 Cb 0.79 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1s9d h TYR 235 CO 0.11 -0.26 0.53 -0.44 -1.64 0.00 0.00 178.16 176.46 1s9d h ASP 236 N -0.32 1.01 -0.05 -2.11 3.32 -0.93 0.78 116.42 118.12 1s9d h ASP 236 Ca 0.04 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1s9d h ASP 236 Cb 0.36 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1s9d h ASP 236 CO -0.12 0.77 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.84 1s9d h SER 237 N 1.17 -0.15 -0.40 6.45 0.87 -0.97 -2.09 113.55 118.43 1s9d h SER 237 Ca 0.31 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1s9d h SER 237 Cb -0.07 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1s9d h SER 237 CO -0.06 -0.07 -0.05 0.40 -0.53 0.00 0.00 176.83 176.52 1s9d h ILE 238 N -0.07 1.27 -0.82 2.23 1.08 -1.26 -1.00 117.51 118.94 1s9d h ILE 238 Ca 0.04 -1.11 0.09 0.00 -0.39 0.00 0.00 64.86 63.49 1s9d h ILE 238 Cb 0.12 1.19 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 1s9d h ILE 238 CO -0.09 0.37 0.47 -0.09 -0.69 0.00 0.00 178.15 178.12 1s9d h ARG 239 N 0.55 0.78 -0.01 2.37 2.43 -0.73 -2.47 114.38 117.30 1s9d h ARG 239 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1s9d h ARG 239 Cb 0.55 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1s9d h ARG 239 CO 0.03 0.52 -0.52 0.09 -1.51 0.00 0.00 179.97 178.58 1s9d n ASN 240 N -4.73 1.33 -3.28 -3.80 5.03 -0.80 -4.73 115.26 104.28 1s9d n ASN 240 Ca 0.13 -1.06 -0.07 0.00 0.87 0.00 0.00 54.58 54.45 1s9d n ASN 240 Cb 0.26 0.45 -0.05 0.00 -1.02 0.00 0.00 39.78 39.42 1s9d n ASN 240 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1s9d s GLU 241 N -2.66 0.43 0.76 3.52 2.12 -0.39 -5.09 118.70 117.39 1s9d s GLU 241 Ca 0.17 0.26 -0.15 0.00 0.36 0.00 0.00 54.97 55.61 1s9d s GLU 241 Cb 0.18 -0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.39 1s9d s GLU 241 CO 0.63 -0.98 1.24 -2.30 -0.54 0.00 0.00 175.26 173.32 1s9d n PRO 242 N 5.37 0.50 -1.66 4.30 -0.02 -1.21 -4.29 135.00 137.99 1s9d n PRO 242 Ca 0.01 0.24 -0.46 0.00 -2.02 0.00 0.00 63.50 61.26 1s9d n PRO 242 Cb 0.50 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1s9d n PRO 242 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1s9d n PHE 243 N -2.83 2.21 -2.36 6.00 3.72 -1.26 -4.93 117.46 118.00 1s9d n PHE 243 Ca 0.14 0.31 -0.35 0.00 -0.05 0.00 0.00 57.45 57.51 1s9d n PHE 243 Cb 0.50 -2.52 -0.01 0.00 -0.94 0.00 0.00 39.48 36.50 1s9d n PHE 243 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1s9d s LYS 244 N 0.77 3.53 -0.24 -1.08 1.02 -1.26 -4.98 119.74 117.50 1s9d s LYS 244 Ca 0.78 1.50 -0.27 0.00 0.02 0.00 0.00 55.97 58.01 1s9d s LYS 244 Cb -0.70 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1s9d s LYS 244 CO 0.39 -0.68 0.93 0.42 -0.92 0.00 0.00 175.35 175.49 1s9d s ILE 245 N -1.88 4.76 0.51 2.17 -1.09 -1.26 -4.91 121.20 119.52 1s9d s ILE 245 Ca 0.70 1.78 -0.20 0.00 -2.23 0.00 0.00 60.65 60.70 1s9d s ILE 245 Cb -0.21 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1s9d s ILE 245 CO 0.24 -0.12 1.10 -2.16 -1.23 0.00 0.00 174.94 172.78 1s9d s PRO 246 N 3.01 3.56 -0.02 2.79 0.04 -1.26 -5.04 135.00 138.07 1s9d s PRO 246 Ca 0.39 1.56 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1s9d s PRO 246 Cb -0.15 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1s9d s PRO 246 CO 0.07 -0.67 -0.16 -1.21 0.04 0.00 0.00 177.00 175.07 1s9d s GLU 247 N -3.17 2.35 0.29 4.56 0.41 -1.26 -4.98 118.70 116.90 1s9d s GLU 247 Ca 0.70 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1s9d s GLU 247 Cb -0.22 -2.30 -0.13 0.00 -1.78 0.00 0.00 34.13 29.70 1s9d s GLU 247 CO 0.26 0.59 1.35 -0.25 -0.49 0.00 0.00 175.26 176.73 1s9d n ASP 248 N 2.07 2.77 0.00 -0.19 8.00 -1.26 -4.97 116.55 122.97 1s9d n ASP 248 Ca -0.17 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1s9d n ASP 248 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1s9d n ASP 248 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28