#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e0r n ASN 4 N 0.00 -3.03 -4.72 6.55 3.02 0.11 -4.87 115.26 112.31 3e0r n ASN 4 Ca 0.00 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 3e0r n ASN 4 Cb 0.00 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 37.60 3e0r n ASN 4 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3e0r s GLN 5 N -3.14 4.39 -0.26 3.52 2.00 -1.26 -4.82 119.66 120.08 3e0r s GLN 5 Ca 0.00 1.94 -0.29 0.00 -2.00 0.00 0.00 55.36 55.02 3e0r s GLN 5 Cb 0.00 -3.27 0.01 0.00 0.80 0.00 0.00 33.01 30.55 3e0r s GLN 5 CO 0.00 -0.31 1.03 0.42 -0.50 0.00 0.00 175.29 175.93 3e0r s ILE 6 N 0.83 4.64 -0.18 -2.34 1.01 -1.26 -0.86 121.20 123.03 3e0r s ILE 6 Ca 0.60 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 63.07 3e0r s ILE 6 Cb -0.34 -4.32 -0.22 0.00 0.01 0.00 0.00 42.46 37.59 3e0r s ILE 6 CO 0.32 -0.27 0.12 0.52 0.00 0.00 0.00 174.94 175.63 3e0r n VAL 7 N 5.49 1.65 -3.65 2.92 0.31 0.13 -4.95 118.33 120.23 3e0r n VAL 7 Ca 0.11 -0.53 -0.15 0.00 -0.01 0.00 0.00 64.34 63.76 3e0r n VAL 7 Cb 0.46 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.62 3e0r n VAL 7 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3e0r s ARG 8 N -2.52 0.77 -0.19 5.55 3.52 -1.11 -5.01 118.95 119.96 3e0r s ARG 8 Ca -0.28 0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 55.70 3e0r s ARG 8 Cb 0.08 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3e0r s ARG 8 CO 0.68 -0.17 -0.05 0.42 -0.81 0.00 0.00 175.30 175.36 3e0r s ILE 9 N -0.49 3.52 -0.27 4.11 1.01 -1.26 -1.41 121.20 126.42 3e0r s ILE 9 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3e0r s ILE 9 Cb -0.03 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3e0r s ILE 9 CO 0.04 0.45 -0.05 -0.63 0.00 0.00 0.00 174.94 174.76 3e0r s ILE 10 N 0.98 2.82 0.39 2.92 1.01 0.15 -4.94 121.20 124.53 3e0r s ILE 10 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 60.65 59.18 3e0r s ILE 10 Cb -0.15 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 3e0r s ILE 10 CO 0.01 0.06 1.02 -2.16 0.00 0.00 0.00 174.94 173.86 3e0r s PRO 11 N 1.27 4.25 -0.20 2.79 0.04 -1.26 0.06 135.00 141.95 3e0r s PRO 11 Ca -0.03 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 3e0r s PRO 11 Cb -0.18 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 3e0r s PRO 11 CO -0.03 -0.04 -0.10 0.99 0.04 0.00 0.00 177.00 177.85 3e0r s THR 12 N -1.71 2.93 -0.15 1.26 2.01 -1.26 -1.62 115.64 117.10 3e0r s THR 12 Ca 0.57 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3e0r s THR 12 Cb -0.20 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 3e0r s THR 12 CO 0.25 0.47 0.06 -0.76 -0.69 0.00 0.00 174.62 173.95 3e0r s LEU 13 N 1.30 3.85 0.21 4.42 1.43 -0.52 -1.32 118.68 128.05 3e0r s LEU 13 Ca 0.04 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 3e0r s LEU 13 Cb -0.14 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 3e0r s LEU 13 CO -0.05 0.26 1.14 -0.54 0.23 0.00 0.00 176.35 177.38 3e0r s LYS 14 N -0.13 4.56 -0.03 1.70 1.02 -0.55 -0.49 119.74 125.82 3e0r s LYS 14 Ca 0.07 1.81 0.06 0.00 0.02 0.00 0.00 55.97 57.93 3e0r s LYS 14 Cb -0.12 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3e0r s LYS 14 CO 0.01 0.05 -0.21 0.00 -0.92 0.00 0.00 175.35 174.29 3e0r s ALA 15 N -0.46 1.75 0.00 5.17 0.00 0.85 -4.28 121.76 124.79 3e0r s ALA 15 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3e0r s ALA 15 Cb -0.32 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3e0r s ALA 15 CO 0.38 0.39 0.00 -1.71 0.00 0.00 0.00 175.76 174.82 3e0r n ASN 16 N 2.77 0.00 -4.61 0.00 5.15 -1.26 -1.34 115.26 115.97 3e0r n ASN 16 Ca -0.16 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 3e0r n ASN 16 Cb 0.53 -0.32 -0.07 0.00 -0.53 0.00 0.00 39.78 39.39 3e0r n ASN 16 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3e0r s ASN 17 N -2.48 6.51 0.09 1.20 3.84 -1.26 -4.61 114.94 118.22 3e0r s ASN 17 Ca 0.00 0.51 -0.28 0.00 0.21 0.00 0.00 52.86 53.29 3e0r s ASN 17 Cb 0.00 -2.32 -0.15 0.00 -0.55 0.00 0.00 41.25 38.22 3e0r s ASN 17 CO 0.00 -0.42 1.67 -0.09 -2.79 0.00 0.00 177.10 175.47 3e0r h ARG 18 N 8.09 -0.49 -0.86 0.43 2.43 -1.99 -2.38 114.38 119.61 3e0r h ARG 18 Ca -0.27 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3e0r h ARG 18 Cb 1.12 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 3e0r h ARG 18 CO 0.78 -0.32 0.56 -0.22 -1.51 0.00 0.00 179.97 179.26 3e0r h LYS 19 N -0.50 1.06 -0.05 0.20 1.63 -1.98 0.25 116.57 117.17 3e0r h LYS 19 Ca -0.04 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3e0r h LYS 19 Cb 0.41 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 3e0r h LYS 19 CO 0.04 0.70 -0.24 -0.07 -3.45 0.00 0.00 179.45 176.43 3e0r h LEU 20 N 1.09 -0.72 -0.73 5.20 3.38 -1.96 -0.13 115.31 121.45 3e0r h LEU 20 Ca 0.34 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.35 3e0r h LEU 20 Cb -0.01 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3e0r h LEU 20 CO -0.11 -0.30 0.16 0.78 0.09 0.00 0.00 178.44 179.06 3e0r h ASN 21 N -0.35 1.08 -0.27 -0.43 2.35 -0.84 -2.52 115.58 114.59 3e0r h ASN 21 Ca 0.08 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3e0r h ASN 21 Cb 0.45 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3e0r h ASN 21 CO -0.25 1.03 0.14 -0.33 -1.65 0.00 0.00 177.43 176.38 3e0r h GLU 22 N 1.07 0.29 -0.49 0.81 5.08 -0.27 -1.07 114.58 120.00 3e0r h GLU 22 Ca 0.22 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3e0r h GLU 22 Cb 0.38 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3e0r h GLU 22 CO 0.00 0.19 0.33 1.15 -1.00 0.00 0.00 179.01 179.68 3e0r h THR 23 N 0.29 0.92 0.03 1.13 2.02 -0.76 -0.94 112.91 115.60 3e0r h THR 23 Ca 0.11 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3e0r h THR 23 Cb 0.03 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3e0r h THR 23 CO -0.07 0.06 -0.01 0.15 0.37 0.00 0.00 175.52 176.01 3e0r h PHE 24 N 0.32 -0.04 0.03 3.16 3.57 -1.00 -0.68 116.94 122.31 3e0r h PHE 24 Ca 0.22 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.50 3e0r h PHE 24 Cb 0.45 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 3e0r h PHE 24 CO -0.00 0.48 -0.99 1.88 -2.23 0.00 0.00 178.31 177.45 3e0r h TYR 25 N -0.98 0.41 0.00 0.41 0.05 -1.11 0.12 116.97 115.88 3e0r h TYR 25 Ca -0.00 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.53 3e0r h TYR 25 Cb 0.53 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3e0r h TYR 25 CO 0.14 1.10 -0.47 -0.89 -1.05 0.00 0.00 178.16 176.98 3e0r n ILE 26 N -3.64 1.23 -0.04 -2.88 5.41 -0.37 -2.75 119.36 116.33 3e0r n ILE 26 Ca -0.05 0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.81 3e0r n ILE 26 Cb 0.87 -2.27 -0.09 0.00 -0.71 0.00 0.00 39.64 37.44 3e0r n ILE 26 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3e0r h GLU 27 N -0.87 0.29 0.04 0.38 4.39 -1.44 -1.89 114.58 115.48 3e0r h GLU 27 Ca 0.00 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 3e0r h GLU 27 Cb 0.47 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3e0r h GLU 27 CO 0.00 0.80 -0.02 1.15 -1.16 0.00 0.00 179.01 179.78 3e0r h THR 28 N -0.18 0.93 0.00 1.13 2.02 -0.48 -3.38 112.91 112.94 3e0r h THR 28 Ca -0.00 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3e0r h THR 28 Cb 0.80 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3e0r h THR 28 CO 0.04 0.30 -0.39 -0.07 0.37 0.00 0.00 175.52 175.77 3e0r h LEU 29 N -0.97 0.00 -0.94 2.58 3.38 -0.83 -3.47 115.31 115.05 3e0r h LEU 29 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3e0r h LEU 29 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3e0r h LEU 29 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3e0r n GLY 30 N 1.14 0.20 3.01 0.83 0.00 -0.71 -4.68 105.19 104.98 3e0r n GLY 30 Ca 0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3e0r n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e0r s LYS 32 N -0.95 0.17 -0.15 1.61 2.20 -0.61 -0.79 119.74 121.23 3e0r s LYS 32 Ca 0.00 0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.66 3e0r s LYS 32 Cb 0.00 -0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 3e0r s LYS 32 CO 0.00 -0.09 0.93 0.00 -0.36 0.00 0.00 175.35 175.83 3e0r s ALA 33 N 0.61 3.49 -0.24 3.13 0.00 -1.26 -1.43 121.76 126.06 3e0r s ALA 33 Ca -0.04 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 3e0r s ALA 33 Cb -0.06 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 3e0r s ALA 33 CO -0.03 -0.67 -0.13 1.28 0.00 0.00 0.00 175.76 176.21 3e0r n LEU 34 N 5.25 2.50 -3.92 0.00 4.77 0.47 -4.96 117.00 121.12 3e0r n LEU 34 Ca 0.07 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 3e0r n LEU 34 Cb 0.48 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 3e0r n LEU 34 CO 0.50 0.75 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.70 3e0r s LEU 35 N -7.04 1.93 -0.59 2.23 2.96 -1.23 -5.02 118.68 111.91 3e0r s LEU 35 Ca -0.34 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3e0r s LEU 35 Cb 0.10 -0.19 0.17 0.00 0.50 0.00 0.00 46.19 46.76 3e0r s LEU 35 CO 0.59 0.03 0.42 -1.61 -1.32 0.00 0.00 176.35 174.47 3e0r s GLU 36 N 0.02 1.91 0.71 1.98 0.41 -1.26 -2.54 118.70 119.93 3e0r s GLU 36 Ca 0.00 -2.87 -0.07 0.00 -0.41 0.00 0.00 54.97 51.63 3e0r s GLU 36 Cb -0.03 -2.75 0.07 0.00 -1.78 0.00 0.00 34.13 29.64 3e0r s GLU 36 CO -0.00 -1.30 1.02 -1.21 -0.49 0.00 0.00 175.26 173.28 3e0r s GLU 37 N -0.85 2.15 0.08 1.61 0.41 -0.97 -5.03 118.70 116.09 3e0r s GLU 37 Ca 0.26 -0.27 -0.03 0.00 -0.41 0.00 0.00 54.97 54.53 3e0r s GLU 37 Cb -0.04 -2.16 -0.27 0.00 -1.78 0.00 0.00 34.13 29.87 3e0r s GLU 37 CO -0.16 -1.27 1.14 0.77 -0.49 0.00 0.00 175.26 175.25 3e0r h SER 38 N -0.63 0.36 0.04 -0.19 0.02 -2.02 -3.30 113.55 107.84 3e0r h SER 38 Ca -0.44 -0.39 -0.16 0.00 -0.84 0.00 0.00 61.79 59.95 3e0r h SER 38 Cb 1.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3e0r h SER 38 CO 0.60 1.31 -0.56 0.00 -1.14 0.00 0.00 176.83 177.04 3e0r h ALA 39 N 0.64 0.69 -2.59 3.77 0.00 -1.97 -3.47 119.26 116.33 3e0r h ALA 39 Ca -0.12 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 3e0r h ALA 39 Cb 1.95 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.50 3e0r h ALA 39 CO 0.19 0.69 -0.03 -0.59 0.00 0.00 0.00 179.25 179.51 3e0r s PHE 40 N -3.97 -0.32 -0.25 0.00 -0.12 -1.24 -2.54 117.98 109.54 3e0r s PHE 40 Ca -0.07 0.25 -0.09 0.00 -0.05 0.00 0.00 56.93 56.97 3e0r s PHE 40 Cb 0.11 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3e0r s PHE 40 CO 0.84 -0.64 0.12 -1.17 -0.05 0.00 0.00 175.22 174.32 3e0r s LEU 41 N -2.20 3.78 -0.33 -1.99 2.96 -0.86 -2.30 118.68 117.75 3e0r s LEU 41 Ca -0.03 -0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.65 3e0r s LEU 41 Cb -0.00 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3e0r s LEU 41 CO -0.05 0.01 0.48 -0.55 -1.32 0.00 0.00 176.35 174.92 3e0r s SER 42 N 1.39 6.30 0.04 3.68 0.15 -1.05 -1.14 113.70 123.07 3e0r s SER 42 Ca 0.06 0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.81 3e0r s SER 42 Cb -0.15 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 3e0r s SER 42 CO 0.06 -0.40 -0.09 -0.76 1.20 0.00 0.00 173.24 173.25 3e0r s LEU 43 N 2.30 3.08 0.00 3.45 1.43 0.64 -0.39 118.68 129.18 3e0r s LEU 43 Ca 0.18 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3e0r s LEU 43 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3e0r s LEU 43 CO 0.12 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3e0r n GLY 44 N 1.24 2.92 0.00 -3.19 0.00 -0.52 -0.49 105.19 105.15 3e0r n GLY 44 Ca -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3e0r n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3e0r n ASP 45 N 0.00 0.39 -0.11 1.61 5.68 -1.25 -1.58 116.55 121.30 3e0r n ASP 45 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 3e0r n ASP 45 Cb 0.00 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 40.60 3e0r n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e0r n GLN 46 N 0.00 0.68 0.25 0.11 1.13 -0.69 -2.25 117.38 116.60 3e0r n GLN 46 Ca 0.00 -0.22 0.13 0.00 -1.94 0.00 0.00 57.00 54.96 3e0r n GLN 46 Cb 0.00 -1.50 0.64 0.00 0.11 0.00 0.00 30.24 29.50 3e0r n GLN 46 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3e0r h THR 47 N 0.54 0.48 0.00 5.09 1.35 -1.93 -3.47 112.91 114.97 3e0r h THR 47 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3e0r h THR 47 Cb 0.35 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3e0r h THR 47 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3e0r n GLY 48 N -0.30 0.72 3.81 5.82 0.00 -0.96 -5.03 105.19 109.25 3e0r n GLY 48 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3e0r n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e0r s LEU 49 N 0.00 4.37 0.13 0.99 1.43 -1.26 -4.95 118.68 119.39 3e0r s LEU 49 Ca 0.00 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 3e0r s LEU 49 Cb 0.00 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 3e0r s LEU 49 CO 0.00 0.28 1.40 -0.70 0.23 0.00 0.00 176.35 177.56 3e0r s GLU 50 N -0.54 4.31 0.00 1.70 2.12 -1.26 -3.85 118.70 121.18 3e0r s GLU 50 Ca 0.18 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.63 3e0r s GLU 50 Cb -0.14 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3e0r s GLU 50 CO 0.07 -0.44 0.00 1.63 -0.54 0.00 0.00 175.26 175.98 3e0r n LYS 51 N 3.76 2.07 -3.78 4.30 5.02 0.36 -4.95 118.16 124.95 3e0r n LYS 51 Ca 0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3e0r n LYS 51 Cb 0.42 -0.83 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 3e0r n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3e0r s LEU 52 N -2.08 0.91 -0.08 -0.35 2.96 -0.70 -4.29 118.68 115.04 3e0r s LEU 52 Ca 0.00 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3e0r s LEU 52 Cb 0.00 1.05 0.02 0.00 0.50 0.00 0.00 46.19 47.76 3e0r s LEU 52 CO 0.00 -0.20 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.02 3e0r s VAL 53 N -0.28 1.18 -0.10 1.68 1.01 -0.64 -0.26 120.40 122.98 3e0r s VAL 53 Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3e0r s VAL 53 Cb -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3e0r s VAL 53 CO 0.01 0.37 0.23 -0.76 0.00 0.00 0.00 175.10 174.95 3e0r s LEU 54 N 0.91 4.37 -0.12 3.92 1.43 -0.29 -1.44 118.68 127.46 3e0r s LEU 54 Ca -0.10 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 3e0r s LEU 54 Cb -0.15 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3e0r s LEU 54 CO 0.01 0.32 -0.14 -0.70 0.23 0.00 0.00 176.35 176.07 3e0r s GLU 55 N -0.69 2.15 0.03 1.70 2.12 0.36 -2.02 118.70 122.34 3e0r s GLU 55 Ca 0.17 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3e0r s GLU 55 Cb -0.13 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 3e0r s GLU 55 CO 0.06 -0.13 1.14 -1.21 -0.54 0.00 0.00 175.26 174.58 3e0r s GLU 56 N 1.19 4.45 -0.08 4.30 2.02 -1.05 -0.10 118.70 129.43 3e0r s GLU 56 Ca -0.02 1.67 0.01 0.00 0.02 0.00 0.00 54.97 56.64 3e0r s GLU 56 Cb -0.14 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.71 3e0r s GLU 56 CO -0.05 -0.23 -0.09 0.00 0.02 0.00 0.00 175.26 174.92 3e0r s ALA 57 N 1.19 1.21 0.43 5.21 0.00 -0.45 -4.88 121.76 124.47 3e0r s ALA 57 Ca 0.57 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.86 3e0r s ALA 57 Cb -0.27 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 3e0r s ALA 57 CO 0.28 -0.14 1.19 -1.25 0.00 0.00 0.00 175.76 175.84 3e0r s PRO 58 N 1.17 3.89 0.00 0.00 0.04 -1.26 -4.39 135.00 134.45 3e0r s PRO 58 Ca -0.05 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3e0r s PRO 58 Cb -0.14 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3e0r s PRO 58 CO -0.02 -0.46 0.57 -1.13 0.04 0.00 0.00 177.00 176.00 3e0r n SER 59 N -0.20 0.00 0.00 6.66 3.41 -1.26 -2.26 113.62 119.97 3e0r n SER 59 Ca 0.06 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 3e0r n SER 59 Cb 0.47 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3e0r n SER 59 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3e0r n ARG 61 N 3.43 0.00 -4.04 4.33 0.63 -1.26 -4.71 116.66 115.04 3e0r n ARG 61 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 3e0r n ARG 61 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 3e0r n ARG 61 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3e0r s THR 62 N 0.00 0.38 0.22 5.15 2.01 -0.96 -4.70 115.64 117.74 3e0r s THR 62 Ca 0.00 -1.11 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 3e0r s THR 62 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3e0r s THR 62 CO 0.00 -0.49 0.17 0.00 -0.69 0.00 0.00 174.62 173.61 3e0r s ARG 63 N -1.80 1.30 0.28 4.92 1.70 -0.62 -4.99 118.95 119.73 3e0r s ARG 63 Ca -0.10 -1.67 -0.29 0.00 -0.47 0.00 0.00 55.73 53.20 3e0r s ARG 63 Cb -0.08 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.49 3e0r s ARG 63 CO -0.01 -0.44 1.03 0.21 -1.08 0.00 0.00 175.30 175.01 3e0r s LYS 64 N -4.04 4.68 0.39 3.89 2.47 -1.26 -1.60 119.74 124.26 3e0r s LYS 64 Ca 0.39 1.65 -0.28 0.00 -1.56 0.00 0.00 55.97 56.17 3e0r s LYS 64 Cb 0.06 -3.16 -0.11 0.00 -1.46 0.00 0.00 37.83 33.17 3e0r s LYS 64 CO 0.14 0.30 1.48 0.28 0.16 0.00 0.00 175.35 177.71 3e0r n VAL 65 N 1.18 2.12 -3.84 4.02 0.31 -1.26 -4.90 118.33 115.95 3e0r n VAL 65 Ca -0.01 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.46 3e0r n VAL 65 Cb 0.46 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 3e0r n VAL 65 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3e0r s GLU 66 N -2.16 3.69 1.16 5.55 0.41 -1.26 -5.00 118.70 121.09 3e0r s GLU 66 Ca 0.54 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 3e0r s GLU 66 Cb -0.47 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 3e0r s GLU 66 CO 0.63 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 3e0r n GLY 67 N 4.63 -1.30 3.76 -1.39 0.00 -1.26 -4.23 105.19 105.40 3e0r n GLY 67 Ca -0.16 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 3e0r n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e0r s ARG 68 N 0.00 3.62 0.31 1.61 0.52 -1.26 -5.01 118.95 118.74 3e0r s ARG 68 Ca 0.00 2.09 -0.01 0.00 -0.52 0.00 0.00 55.73 57.28 3e0r s ARG 68 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 3e0r s ARG 68 CO 0.00 -0.76 0.53 0.15 0.02 0.00 0.00 175.30 175.24 3e0r s LYS 69 N -2.61 3.53 0.30 3.54 1.02 -1.26 -4.55 119.74 119.72 3e0r s LYS 69 Ca 0.64 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.42 3e0r s LYS 69 Cb -0.36 -2.68 0.55 0.00 -0.52 0.00 0.00 37.83 34.82 3e0r s LYS 69 CO 0.45 0.20 1.89 0.87 -0.92 0.00 0.00 175.35 177.84 3e0r h LYS 70 N 1.21 0.97 -6.29 1.68 1.57 -1.85 -3.34 116.57 110.52 3e0r h LYS 70 Ca -0.49 -0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 57.65 3e0r h LYS 70 Cb 1.21 -0.22 -0.10 0.00 0.08 0.00 0.00 32.23 33.20 3e0r h LYS 70 CO 0.64 0.64 0.71 -1.17 -0.57 0.00 0.00 179.45 179.70 3e0r s LEU 71 N -10.03 3.86 -0.05 2.94 2.96 -1.26 -0.33 118.68 116.77 3e0r s LEU 71 Ca -0.11 0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 3e0r s LEU 71 Cb 0.20 -3.22 -0.10 0.00 0.50 0.00 0.00 46.19 43.58 3e0r s LEU 71 CO 0.80 -1.18 0.61 0.00 -1.32 0.00 0.00 176.35 175.26 3e0r h ALA 72 N 9.21 -0.33 -2.92 5.97 0.00 -1.24 -3.46 119.26 126.50 3e0r h ALA 72 Ca -0.24 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3e0r h ALA 72 Cb 1.07 0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.75 3e0r h ALA 72 CO 1.08 -0.34 -0.34 1.03 0.00 0.00 0.00 179.25 180.68 3e0r s ARG 73 N -3.03 0.40 -0.09 0.00 0.52 -0.96 -4.50 118.95 111.29 3e0r s ARG 73 Ca -0.09 0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 55.28 3e0r s ARG 73 Cb 0.00 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 3e0r s ARG 73 CO 0.29 -0.06 0.50 -1.17 0.02 0.00 0.00 175.30 174.88 3e0r s LEU 74 N -0.05 4.32 -0.20 2.53 2.96 -0.53 -0.74 118.68 126.97 3e0r s LEU 74 Ca -0.02 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 3e0r s LEU 74 Cb -0.03 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.92 3e0r s LEU 74 CO 0.01 0.03 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 3e0r s ILE 75 N 0.38 2.86 -0.34 6.68 1.01 -0.29 -0.78 121.20 130.72 3e0r s ILE 75 Ca 0.27 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3e0r s ILE 75 Cb -0.16 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.13 3e0r s ILE 75 CO 0.12 0.48 0.07 -0.69 0.00 0.00 0.00 174.94 174.92 3e0r s VAL 76 N 1.28 2.92 -0.41 2.92 1.01 0.31 -0.84 120.40 127.58 3e0r s VAL 76 Ca 0.03 -1.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.03 3e0r s VAL 76 Cb -0.14 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3e0r s VAL 76 CO -0.06 -0.38 0.62 -0.75 0.00 0.00 0.00 175.10 174.53 3e0r s LYS 77 N 1.15 3.39 0.00 2.72 2.20 -0.39 -1.50 119.74 127.31 3e0r s LYS 77 Ca 0.02 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 3e0r s LYS 77 Cb -0.21 -3.90 -0.06 0.00 -1.51 0.00 0.00 37.83 32.15 3e0r s LYS 77 CO -0.04 -0.90 0.53 0.08 -0.36 0.00 0.00 175.35 174.66 3e0r s VAL 78 N 2.71 4.93 0.01 4.02 1.01 0.13 -1.55 120.40 131.67 3e0r s VAL 78 Ca 0.22 1.10 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 3e0r s VAL 78 Cb -0.14 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 3e0r s VAL 78 CO 0.17 0.48 1.10 -0.08 0.00 0.00 0.00 175.10 176.77 3e0r h GLU 79 N 5.29 -0.86 -5.72 2.72 4.57 -1.58 -3.39 114.58 115.60 3e0r h GLU 79 Ca -0.47 0.06 -0.60 0.00 -1.18 0.00 0.00 59.36 57.17 3e0r h GLU 79 Cb 1.21 0.20 -0.10 0.00 -0.16 0.00 0.00 28.75 29.90 3e0r h GLU 79 CO 0.67 -0.58 0.39 1.21 -1.18 0.00 0.00 179.01 179.52 3e0r s ASN 80 N -4.21 6.74 0.35 1.04 3.84 -1.26 -4.96 114.94 116.48 3e0r s ASN 80 Ca -0.13 0.88 0.14 0.00 0.21 0.00 0.00 52.86 53.96 3e0r s ASN 80 Cb 0.01 -2.41 0.63 0.00 -0.55 0.00 0.00 41.25 38.94 3e0r s ASN 80 CO 0.39 -0.50 1.75 -0.65 -2.79 0.00 0.00 177.10 175.30 3e0r h PRO 81 N 7.82 0.00 0.00 0.43 0.11 -1.91 -2.44 132.00 136.01 3e0r h PRO 81 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3e0r h PRO 81 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3e0r h PRO 81 CO 0.85 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 180.37 3e0r n LEU 82 N -3.87 0.40 0.09 2.35 4.77 -1.26 -1.11 117.00 118.36 3e0r n LEU 82 Ca -0.01 0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 3e0r n LEU 82 Cb 0.49 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3e0r n LEU 82 CO 0.39 -0.64 0.31 -0.33 -1.33 0.00 0.00 177.39 175.80 3e0r h GLU 83 N 0.00 0.19 -0.58 3.23 5.08 -1.85 -2.36 114.58 118.29 3e0r h GLU 83 Ca 0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3e0r h GLU 83 Cb 0.15 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3e0r h GLU 83 CO 0.00 0.89 0.13 0.82 -1.00 0.00 0.00 179.01 179.86 3e0r h ILE 84 N 0.12 1.24 0.00 3.13 2.04 -1.24 -2.27 117.51 120.52 3e0r h ILE 84 Ca -0.03 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.85 3e0r h ILE 84 Cb 1.40 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3e0r h ILE 84 CO 0.12 0.33 -0.51 -0.33 0.00 0.00 0.00 178.15 177.76 3e0r h GLU 85 N 0.86 0.00 -0.07 2.37 5.08 -1.53 -1.62 114.58 119.67 3e0r h GLU 85 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3e0r h GLU 85 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3e0r h GLU 85 CO 0.00 0.51 0.01 0.78 -1.00 0.00 0.00 179.01 179.31 3e0r h GLY 86 N 1.71 0.13 0.44 -3.84 0.00 -1.12 -1.62 103.07 98.76 3e0r h GLY 86 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.30 3e0r h GLY 86 CO 0.07 0.08 -0.05 -2.22 0.00 0.00 0.00 176.54 174.41 3e0r h ILE 87 N -0.12 0.72 -0.24 2.60 2.04 -1.25 -2.79 117.51 118.47 3e0r h ILE 87 Ca 0.02 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3e0r h ILE 87 Cb 0.27 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3e0r h ILE 87 CO 0.00 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.92 3e0r h LEU 88 N 0.03 0.41 -2.35 1.44 3.38 -1.26 -1.42 115.31 115.54 3e0r h LEU 88 Ca 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3e0r h LEU 88 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3e0r h LEU 88 CO -0.29 0.60 0.09 0.77 0.09 0.00 0.00 178.44 179.70 3e0r h SER 89 N 0.38 0.00 0.00 -0.43 4.64 -1.01 -2.98 113.55 114.16 3e0r h SER 89 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3e0r h SER 89 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3e0r h SER 89 CO 0.03 0.00 -1.22 0.29 -0.87 0.00 0.00 176.83 175.06 3e0r n LYS 90 N -2.82 1.19 -4.53 4.77 4.76 -0.56 -4.97 118.16 116.00 3e0r n LYS 90 Ca -0.02 -0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.01 3e0r n LYS 90 Cb 0.15 -1.18 -0.11 0.00 -1.84 0.00 0.00 35.03 32.04 3e0r n LYS 90 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3e0r s THR 91 N -2.54 3.80 -0.49 -0.18 2.01 -1.04 -5.00 115.64 112.21 3e0r s THR 91 Ca -0.02 -0.42 0.24 0.00 0.31 0.00 0.00 61.69 61.80 3e0r s THR 91 Cb 0.07 -2.60 0.19 0.00 0.01 0.00 0.00 72.50 70.17 3e0r s THR 91 CO 0.44 0.56 1.44 0.44 -0.69 0.00 0.00 174.62 176.81 3e0r h ASP 92 N 5.80 0.00 -0.23 3.53 3.32 -1.93 -3.44 116.42 123.46 3e0r h ASP 92 Ca -0.42 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 3e0r h ASP 92 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 3e0r h ASP 92 CO 0.56 0.02 -0.26 -0.24 -1.72 0.00 0.00 179.24 177.60 3e0r n SER 93 N -2.62 2.26 -4.73 6.45 2.88 -1.26 -5.04 113.62 111.55 3e0r n SER 93 Ca 0.03 -3.84 -0.33 0.00 -1.33 0.00 0.00 58.87 53.40 3e0r n SER 93 Cb 0.50 -0.59 0.09 0.00 -0.75 0.00 0.00 64.21 63.45 3e0r n SER 93 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3e0r s ILE 94 N -3.30 2.66 -0.02 2.46 -4.36 -1.26 -4.85 121.20 112.52 3e0r s ILE 94 Ca 0.42 0.29 -0.05 0.00 -0.26 0.00 0.00 60.65 61.05 3e0r s ILE 94 Cb 0.39 -2.76 -0.28 0.00 1.25 0.00 0.00 42.46 41.06 3e0r s ILE 94 CO -0.03 -0.20 0.76 -0.74 0.24 0.00 0.00 174.94 174.96 3e0r h HIS 95 N -0.50 0.52 -1.75 1.37 -0.00 -0.63 -3.48 115.15 110.68 3e0r h HIS 95 Ca -0.46 -0.38 0.02 0.00 -0.00 0.00 0.00 60.37 59.55 3e0r h HIS 95 Cb 1.27 -0.02 -0.23 0.00 -0.00 0.00 0.00 27.41 28.43 3e0r h HIS 95 CO 0.51 1.48 0.36 0.50 -0.00 0.00 0.00 177.93 180.78 3e0r s ARG 96 N -2.60 0.70 -0.06 5.26 3.52 -0.98 -4.97 118.95 119.82 3e0r s ARG 96 Ca -0.12 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 3e0r s ARG 96 Cb 0.06 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3e0r s ARG 96 CO 0.85 -0.15 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.87 3e0r s LEU 97 N -0.32 2.68 0.34 -0.88 2.96 -1.26 -0.58 118.68 121.62 3e0r s LEU 97 Ca -0.01 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3e0r s LEU 97 Cb -0.03 -1.55 -0.06 0.00 0.50 0.00 0.00 46.19 45.06 3e0r s LEU 97 CO 0.00 0.32 0.07 -0.31 -1.32 0.00 0.00 176.35 175.11 3e0r s TYR 98 N -0.56 1.92 -0.13 5.38 2.02 0.30 -1.50 117.35 124.76 3e0r s TYR 98 Ca 0.08 -1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 55.64 3e0r s TYR 98 Cb -0.11 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3e0r s TYR 98 CO 0.01 -0.05 0.35 0.21 -1.57 0.00 0.00 175.55 174.51 3e0r s LYS 99 N -3.87 0.41 0.00 -0.62 2.20 0.10 -1.76 119.74 116.19 3e0r s LYS 99 Ca 0.34 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 3e0r s LYS 99 Cb 0.08 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 3e0r s LYS 99 CO 0.15 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 3e0r n GLY 100 N 2.95 6.69 0.24 5.54 0.00 -0.25 -0.68 105.19 119.68 3e0r n GLY 100 Ca -0.13 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 3e0r n GLY 100 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3e0r h GLN 101 N 0.00 -0.12 0.00 1.61 4.15 -1.93 -3.30 115.11 115.52 3e0r h GLN 101 Ca 0.00 0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 3e0r h GLN 101 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3e0r h GLN 101 CO 0.00 -0.08 -1.07 -0.91 -1.93 0.00 0.00 178.83 174.84 3e0r h ASN 102 N -0.12 0.00 0.00 -0.69 -0.26 -1.97 -3.50 115.58 109.04 3e0r h ASN 102 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3e0r h ASN 102 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3e0r h ASN 102 CO -0.41 0.81 0.00 0.61 -1.06 0.00 0.00 177.43 177.38 3e0r n GLY 103 N 1.36 -0.66 3.79 2.83 0.00 -1.24 -4.90 105.19 106.37 3e0r n GLY 103 Ca -0.04 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3e0r n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3e0r s TYR 104 N -3.00 2.81 0.11 1.61 2.02 -1.26 -1.09 117.35 118.54 3e0r s TYR 104 Ca 0.00 1.30 -0.12 0.00 -0.37 0.00 0.00 57.07 57.88 3e0r s TYR 104 Cb 0.00 -3.04 0.02 0.00 -0.40 0.00 0.00 41.96 38.53 3e0r s TYR 104 CO 0.00 -1.70 0.30 0.00 -1.57 0.00 0.00 175.55 172.57 3e0r s ALA 105 N -3.06 -0.57 0.15 3.71 0.00 -0.72 -4.42 121.76 116.86 3e0r s ALA 105 Ca 0.60 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 3e0r s ALA 105 Cb -0.15 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3e0r s ALA 105 CO 0.55 -0.58 0.36 -0.59 0.00 0.00 0.00 175.76 175.50 3e0r s PHE 106 N -3.83 0.06 0.07 0.00 -0.12 -0.36 -0.54 117.98 113.26 3e0r s PHE 106 Ca 0.04 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.56 3e0r s PHE 106 Cb 0.03 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3e0r s PHE 106 CO -0.11 -0.74 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.02 3e0r s GLU 107 N -3.88 2.26 -0.09 1.99 2.02 0.25 -0.99 118.70 120.26 3e0r s GLU 107 Ca 0.09 -0.93 -0.18 0.00 0.02 0.00 0.00 54.97 53.97 3e0r s GLU 107 Cb 0.02 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.93 3e0r s GLU 107 CO -0.06 0.53 0.43 -1.50 0.02 0.00 0.00 175.26 174.69 3e0r s ILE 108 N -1.15 0.02 0.06 -1.63 2.07 -0.87 0.17 121.20 119.87 3e0r s ILE 108 Ca 0.20 -0.18 -0.18 0.00 -1.41 0.00 0.00 60.65 59.08 3e0r s ILE 108 Cb -0.11 -0.68 -0.06 0.00 0.13 0.00 0.00 42.46 41.73 3e0r s ILE 108 CO 0.12 -0.10 0.52 -0.36 -1.91 0.00 0.00 174.94 173.21 3e0r s PHE 109 N -0.59 3.78 0.66 3.50 0.08 -1.26 -1.44 117.98 122.71 3e0r s PHE 109 Ca -0.07 1.19 -0.07 0.00 0.12 0.00 0.00 56.93 58.09 3e0r s PHE 109 Cb -0.03 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.01 3e0r s PHE 109 CO 0.03 0.60 0.99 -1.54 -0.10 0.00 0.00 175.22 175.20 3e0r s SER 110 N -1.13 5.24 0.63 1.36 1.04 -0.07 -4.91 113.70 115.86 3e0r s SER 110 Ca 0.28 0.70 0.28 0.00 0.48 0.00 0.00 55.95 57.69 3e0r s SER 110 Cb -0.19 -1.52 1.45 0.00 0.10 0.00 0.00 66.02 65.87 3e0r s SER 110 CO 0.17 -1.34 1.84 -0.65 0.98 0.00 0.00 173.24 174.24 3e0r h PRO 111 N -0.45 0.00 -0.58 4.02 0.11 -1.90 0.29 132.00 133.48 3e0r h PRO 111 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3e0r h PRO 111 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3e0r h PRO 111 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 3e0r n GLU 112 N -3.24 3.03 -2.33 1.05 -0.58 -1.26 -4.95 120.64 112.36 3e0r n GLU 112 Ca 0.03 -2.56 -0.11 0.00 -0.42 0.00 0.00 57.16 54.10 3e0r n GLU 112 Cb 0.57 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3e0r n GLU 112 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3e0r n ASP 113 N 1.10 -3.73 -4.72 1.62 8.00 0.10 -4.97 116.55 113.95 3e0r n ASP 113 Ca 0.21 -0.05 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 3e0r n ASP 113 Cb 0.65 -2.87 -0.04 0.00 -0.02 0.00 0.00 41.12 38.84 3e0r n ASP 113 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3e0r s ASP 114 N -2.59 7.35 -0.18 -2.24 1.01 -1.26 -4.78 116.67 113.99 3e0r s ASP 114 Ca 0.04 1.63 -0.21 0.00 0.71 0.00 0.00 52.55 54.73 3e0r s ASP 114 Cb -0.02 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 3e0r s ASP 114 CO 0.05 -0.15 0.61 -0.22 0.21 0.00 0.00 175.17 175.68 3e0r s LEU 115 N 0.52 4.17 -0.11 1.23 2.96 -1.26 -0.89 118.68 125.29 3e0r s LEU 115 Ca 0.47 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 3e0r s LEU 115 Cb -0.21 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 3e0r s LEU 115 CO 0.27 -0.23 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 3e0r s ILE 116 N 1.67 2.64 -0.23 6.68 1.09 -0.52 -1.46 121.20 131.06 3e0r s ILE 116 Ca 0.29 -0.82 -0.07 0.00 -1.10 0.00 0.00 60.65 58.95 3e0r s ILE 116 Cb -0.16 -2.06 -0.03 0.00 -1.06 0.00 0.00 42.46 39.15 3e0r s ILE 116 CO 0.11 0.54 0.07 -0.22 -0.10 0.00 0.00 174.94 175.34 3e0r s LEU 117 N 0.26 3.51 -0.20 2.97 2.96 0.04 -2.05 118.68 126.18 3e0r s LEU 117 Ca -0.12 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3e0r s LEU 117 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3e0r s LEU 117 CO 0.07 0.02 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.44 3e0r s ILE 118 N 1.31 3.55 0.34 6.68 1.01 -0.16 -0.53 121.20 133.39 3e0r s ILE 118 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 3e0r s ILE 118 Cb -0.15 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3e0r s ILE 118 CO 0.03 0.44 0.51 -1.38 0.00 0.00 0.00 174.94 174.54 3e0r s HIS 119 N 1.11 0.91 -0.02 3.97 -3.43 -0.56 -1.22 115.29 116.04 3e0r s HIS 119 Ca 0.02 -1.20 0.11 0.00 -0.80 0.00 0.00 55.06 53.18 3e0r s HIS 119 Cb -0.15 0.03 0.18 0.00 -1.43 0.00 0.00 32.58 31.22 3e0r s HIS 119 CO -0.00 -1.17 1.08 0.00 -2.00 0.00 0.00 174.74 172.65 3e0r n ALA 120 N -0.54 2.21 -2.89 -1.38 0.00 -1.26 0.19 120.51 116.84 3e0r n ALA 120 Ca -0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 53.44 51.46 3e0r n ALA 120 Cb 0.61 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 3e0r n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3e0r s GLU 121 N -0.34 3.46 0.00 0.00 0.41 -1.26 -4.78 118.70 116.20 3e0r s GLU 121 Ca 0.15 -0.40 0.29 0.00 -0.41 0.00 0.00 54.97 54.61 3e0r s GLU 121 Cb 0.17 -3.02 1.26 0.00 -1.78 0.00 0.00 34.13 30.76 3e0r s GLU 121 CO -0.06 0.59 1.93 -0.25 -0.49 0.00 0.00 175.26 176.99 3e0r n ASP 122 N 0.27 0.00 -3.29 -0.19 8.00 -1.26 -4.52 116.55 115.56 3e0r n ASP 122 Ca -0.05 0.45 -0.06 0.00 0.71 0.00 0.00 54.79 55.84 3e0r n ASP 122 Cb 0.51 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 3e0r n ASP 122 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3e0r s ASP 123 N -2.96 -0.17 0.00 -2.24 2.15 -1.26 -5.01 116.67 107.18 3e0r s ASP 123 Ca 0.15 0.19 0.04 0.00 0.43 0.00 0.00 52.55 53.36 3e0r s ASP 123 Cb 0.19 1.38 0.18 0.00 -0.30 0.00 0.00 42.92 44.37 3e0r s ASP 123 CO 0.52 -0.31 1.06 2.30 -0.17 0.00 0.00 175.17 178.57 3e0r n ILE 124 N 5.38 1.43 0.70 4.11 -5.35 -1.26 -1.93 119.36 122.44 3e0r n ILE 124 Ca -0.01 0.36 0.11 0.00 -0.27 0.00 0.00 62.75 62.94 3e0r n ILE 124 Cb 0.50 -1.29 0.47 0.00 -1.74 0.00 0.00 39.64 37.58 3e0r n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3e0r n ALA 125 N -1.41 2.01 0.91 -1.28 0.00 -1.26 -2.40 120.51 117.07 3e0r n ALA 125 Ca 0.01 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.54 3e0r n ALA 125 Cb 0.04 -1.38 0.57 0.00 0.00 0.00 0.00 19.45 18.68 3e0r n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3e0r n SER 126 N -1.70 0.12 -4.71 0.00 3.41 -0.81 -4.89 113.62 105.04 3e0r n SER 126 Ca 0.05 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 3e0r n SER 126 Cb 0.28 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3e0r n SER 126 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3e0r s LEU 127 N -3.22 4.36 -0.13 1.04 1.43 -1.01 -4.36 118.68 116.79 3e0r s LEU 127 Ca 0.13 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 55.72 3e0r s LEU 127 Cb 0.17 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 3e0r s LEU 127 CO 0.52 -0.80 -0.16 0.68 0.23 0.00 0.00 176.35 176.82 3e0r s VAL 128 N 1.65 2.70 0.01 -1.59 -7.23 0.14 -4.91 120.40 111.17 3e0r s VAL 128 Ca 0.70 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 3e0r s VAL 128 Cb -0.40 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 3e0r s VAL 128 CO 0.31 0.53 1.69 -0.70 -0.31 0.00 0.00 175.10 176.62 3e0r s GLU 129 N 0.46 4.18 -0.12 4.82 2.12 -1.26 -0.72 118.70 128.18 3e0r s GLU 129 Ca -0.12 2.30 -0.21 0.00 0.36 0.00 0.00 54.97 57.31 3e0r s GLU 129 Cb -0.16 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.34 3e0r s GLU 129 CO 0.05 -0.81 0.60 0.14 -0.54 0.00 0.00 175.26 174.70 3e0r s VAL 130 N 3.51 5.09 -0.03 3.70 -7.23 -0.56 -4.91 120.40 119.97 3e0r s VAL 130 Ca 0.76 1.19 -0.09 0.00 -1.81 0.00 0.00 61.98 62.03 3e0r s VAL 130 Cb -0.37 -3.93 -0.05 0.00 0.56 0.00 0.00 36.38 32.58 3e0r s VAL 130 CO 0.32 0.24 0.51 1.23 -0.31 0.00 0.00 175.10 177.09 3e0r h GLY 131 N 7.17 -0.35 -6.43 2.32 0.00 -1.94 -3.41 103.07 100.44 3e0r h GLY 131 Ca -0.38 0.13 -0.59 0.00 0.00 0.00 0.00 47.33 46.49 3e0r h GLY 131 CO 0.76 -0.13 0.65 -0.54 0.00 0.00 0.00 176.54 177.29 3e0r s GLU 132 N -2.70 3.79 0.21 4.80 2.02 -1.26 -4.99 118.70 120.57 3e0r s GLU 132 Ca -0.05 0.54 -0.31 0.00 0.02 0.00 0.00 54.97 55.17 3e0r s GLU 132 Cb 0.00 -3.83 -0.11 0.00 0.10 0.00 0.00 34.13 30.30 3e0r s GLU 132 CO 0.15 -1.04 1.60 0.21 0.02 0.00 0.00 175.26 176.20 3e0r s LYS 133 N 3.65 4.18 0.82 1.61 2.20 -1.26 -5.02 119.74 125.92 3e0r s LYS 133 Ca 0.40 2.46 -0.09 0.00 -0.36 0.00 0.00 55.97 58.38 3e0r s LYS 133 Cb -0.11 -3.10 0.14 0.00 -1.51 0.00 0.00 37.83 33.25 3e0r s LYS 133 CO 0.21 -0.63 1.14 -1.25 -0.36 0.00 0.00 175.35 174.46 3e0r s PRO 134 N 0.64 1.38 -0.07 4.03 0.04 -1.26 -5.09 135.00 134.67 3e0r s PRO 134 Ca 0.69 -0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.02 3e0r s PRO 134 Cb -0.46 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 3e0r s PRO 134 CO 0.36 -1.80 0.28 -1.21 0.04 0.00 0.00 177.00 174.67 3e0r s GLU 135 N -5.49 3.76 -0.15 4.56 2.02 -1.26 -5.10 118.70 117.04 3e0r s GLU 135 Ca 0.68 0.15 -0.01 0.00 0.02 0.00 0.00 54.97 55.81 3e0r s GLU 135 Cb -0.06 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3e0r s GLU 135 CO 0.48 0.68 -0.11 -0.06 0.02 0.00 0.00 175.26 176.27 3e0r s PHE 136 N -0.89 2.85 0.41 1.61 0.08 -1.26 -5.10 117.98 115.67 3e0r s PHE 136 Ca 0.19 -0.75 0.08 0.00 0.12 0.00 0.00 56.93 56.58 3e0r s PHE 136 Cb -0.14 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3e0r s PHE 136 CO 0.08 -0.31 0.52 -0.65 -0.10 0.00 0.00 175.22 174.77 3e0r s GLN 137 N 0.63 2.79 -0.30 0.44 -0.21 -1.26 -4.51 119.66 117.24 3e0r s GLN 137 Ca -0.06 -1.29 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 3e0r s GLN 137 Cb -0.15 -2.68 0.12 0.00 1.00 0.00 0.00 33.01 31.29 3e0r s GLN 137 CO 0.03 -0.23 0.68 -0.08 -2.12 0.00 0.00 175.29 173.57 3e0r s THR 138 N -2.36 -0.73 -2.41 -0.19 -1.32 -1.26 -4.69 115.64 102.68 3e0r s THR 138 Ca 0.53 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.24 3e0r s THR 138 Cb -0.09 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.38 3e0r s THR 138 CO 0.32 0.00 1.59 0.47 -2.21 0.00 0.00 174.62 174.79 3e0r n ASP 139 N 5.14 1.81 -4.78 8.08 9.92 -1.26 -4.96 116.55 130.50 3e0r n ASP 139 Ca -0.14 -1.67 -0.37 0.00 -0.53 0.00 0.00 54.79 52.08 3e0r n ASP 139 Cb 0.52 -0.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.87 3e0r n ASP 139 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3e0r s LEU 140 N -1.74 4.29 0.00 0.64 1.43 -1.26 -4.98 118.68 117.06 3e0r s LEU 140 Ca 0.34 1.90 0.26 0.00 -1.03 0.00 0.00 54.13 55.61 3e0r s LEU 140 Cb 0.19 -4.06 0.65 0.00 0.03 0.00 0.00 46.19 43.01 3e0r s LEU 140 CO 0.29 -0.19 1.51 0.00 0.23 0.00 0.00 176.35 178.20 3e0r n ALA 141 N 0.39 2.73 -3.47 4.21 0.00 -1.26 -4.91 120.51 118.20 3e0r n ALA 141 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 3e0r n ALA 141 Cb 0.50 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 3e0r n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3e0r s SER 142 N -2.14 -0.55 0.23 0.00 0.15 -1.26 -5.03 113.70 105.11 3e0r s SER 142 Ca 0.31 1.03 0.24 0.00 0.70 0.00 0.00 55.95 58.23 3e0r s SER 142 Cb 0.20 1.00 0.93 0.00 -1.71 0.00 0.00 66.02 66.44 3e0r s SER 142 CO 0.38 -0.18 1.73 2.30 1.20 0.00 0.00 173.24 178.67 3e0r n ILE 143 N 3.19 0.75 -1.64 6.45 -5.35 -1.26 -4.88 119.36 116.62 3e0r n ILE 143 Ca -0.16 0.07 -0.49 0.00 -0.27 0.00 0.00 62.75 61.91 3e0r n ILE 143 Cb 0.56 -0.97 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 3e0r n ILE 143 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3e0r n SER 144 N -2.22 2.52 -4.66 7.28 7.64 -1.26 -4.60 113.62 118.31 3e0r n SER 144 Ca 0.03 1.09 -0.43 0.00 1.01 0.00 0.00 58.87 60.58 3e0r n SER 144 Cb 0.29 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 3e0r n SER 144 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3e0r s LEU 145 N 0.96 4.25 -0.04 -3.43 1.43 0.03 -4.95 118.68 116.94 3e0r s LEU 145 Ca 0.82 1.95 -0.26 0.00 -1.03 0.00 0.00 54.13 55.61 3e0r s LEU 145 Cb -0.80 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 41.67 3e0r s LEU 145 CO 0.43 -0.81 1.19 0.77 0.23 0.00 0.00 176.35 178.16 3e0r h SER 146 N 8.62 -0.01 -3.51 2.29 4.64 -1.90 -3.33 113.55 120.34 3e0r h SER 146 Ca -0.33 -0.54 -0.31 0.00 -0.47 0.00 0.00 61.79 60.14 3e0r h SER 146 Cb 1.14 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.90 3e0r h SER 146 CO 0.95 0.54 -0.74 -0.75 -0.87 0.00 0.00 176.83 175.97 3e0r s LYS 147 N -3.98 0.06 0.15 4.77 2.47 -1.26 -1.71 119.74 120.25 3e0r s LYS 147 Ca -0.16 0.15 -0.06 0.00 -1.56 0.00 0.00 55.97 54.34 3e0r s LYS 147 Cb 0.01 -0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.04 3e0r s LYS 147 CO 0.67 -0.16 0.21 -0.59 0.16 0.00 0.00 175.35 175.64 3e0r s PHE 148 N 1.05 0.54 -0.04 4.03 -0.12 -1.26 -1.52 117.98 120.66 3e0r s PHE 148 Ca -0.09 -0.91 0.02 0.00 -0.05 0.00 0.00 56.93 55.89 3e0r s PHE 148 Cb -0.13 -0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.08 3e0r s PHE 148 CO -0.03 -0.65 -0.07 -2.00 -0.05 0.00 0.00 175.22 172.43 3e0r s GLU 149 N -3.99 0.99 -0.07 1.99 2.56 -0.60 -4.96 118.70 114.62 3e0r s GLU 149 Ca 0.19 -0.22 -0.16 0.00 0.00 0.00 0.00 54.97 54.78 3e0r s GLU 149 Cb 0.05 -0.92 -0.05 0.00 2.00 0.00 0.00 34.13 35.21 3e0r s GLU 149 CO 0.00 0.01 0.41 0.42 -0.56 0.00 0.00 175.26 175.54 3e0r s ILE 150 N 0.59 5.14 0.00 -3.70 -1.09 -1.26 -1.26 121.20 119.61 3e0r s ILE 150 Ca -0.09 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3e0r s ILE 150 Cb -0.12 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3e0r s ILE 150 CO 0.01 0.45 0.00 -1.54 -1.23 0.00 0.00 174.94 172.63 3e0r n SER 151 N 2.83 0.17 -4.27 3.58 3.41 -0.02 -4.93 113.62 114.38 3e0r n SER 151 Ca -0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 3e0r n SER 151 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 3e0r n SER 151 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3e0r s GLU 153 N 1.61 2.77 -0.06 4.33 2.02 0.08 -1.14 118.70 128.31 3e0r s GLU 153 Ca 0.00 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.18 3e0r s GLU 153 Cb 0.00 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 3e0r s GLU 153 CO 0.00 0.32 -0.24 -0.51 0.02 0.00 0.00 175.26 174.85 3e0r s LEU 154 N -0.00 2.15 -0.22 1.80 1.43 0.12 -1.13 118.68 122.83 3e0r s LEU 154 Ca -0.08 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.31 3e0r s LEU 154 Cb -0.15 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3e0r s LEU 154 CO 0.05 0.24 0.75 -1.00 0.23 0.00 0.00 176.35 176.63 3e0r s HIS 155 N -0.16 3.35 -0.10 0.29 3.76 0.55 0.03 115.29 123.01 3e0r s HIS 155 Ca -0.04 1.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.95 3e0r s HIS 155 Cb -0.14 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.62 3e0r s HIS 155 CO 0.04 -0.30 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.36 3e0r s LEU 156 N 2.42 1.40 0.89 0.89 2.96 0.15 -4.67 118.68 122.71 3e0r s LEU 156 Ca 0.33 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 3e0r s LEU 156 Cb -0.16 -0.86 0.13 0.00 0.50 0.00 0.00 46.19 45.80 3e0r s LEU 156 CO 0.09 -0.06 1.17 -2.84 -1.32 0.00 0.00 176.35 173.39 3e0r s PRO 157 N 1.29 1.16 0.35 0.98 0.02 -1.24 -2.38 135.00 135.18 3e0r s PRO 157 Ca -0.03 1.63 0.19 0.00 0.02 0.00 0.00 61.00 62.81 3e0r s PRO 157 Cb -0.14 -1.74 0.35 0.00 0.02 0.00 0.00 34.50 33.00 3e0r s PRO 157 CO -0.04 -2.55 1.58 1.79 -0.33 0.00 0.00 177.00 177.45 3e0r h THR 158 N -1.62 0.67 -0.00 0.99 1.35 -1.97 -3.25 112.91 109.08 3e0r h THR 158 Ca -0.44 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3e0r h THR 158 Cb 1.28 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3e0r h THR 158 CO 0.42 0.35 -0.21 -0.90 -0.25 0.00 0.00 175.52 174.93 3e0r n ASP 159 N -3.27 0.67 -4.45 5.36 5.68 -1.26 -4.82 116.55 114.47 3e0r n ASP 159 Ca 0.02 -0.60 -0.26 0.00 -0.50 0.00 0.00 54.79 53.45 3e0r n ASP 159 Cb 0.62 0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.52 3e0r n ASP 159 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3e0r s ILE 160 N -2.58 2.42 -0.04 2.12 -4.36 -1.23 -5.14 121.20 112.39 3e0r s ILE 160 Ca 0.24 -2.21 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3e0r s ILE 160 Cb 0.19 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 3e0r s ILE 160 CO 0.53 -0.25 -0.20 -1.61 0.24 0.00 0.00 174.94 173.64 3e0r s GLU 161 N -3.07 2.35 0.39 0.37 0.41 -1.26 -4.76 118.70 113.13 3e0r s GLU 161 Ca 0.25 -0.82 -0.24 0.00 -0.41 0.00 0.00 54.97 53.76 3e0r s GLU 161 Cb -0.07 -2.21 -0.09 0.00 -1.78 0.00 0.00 34.13 29.98 3e0r s GLU 161 CO 0.12 0.57 1.02 0.45 -0.49 0.00 0.00 175.26 176.93 3e0r s SER 162 N -0.61 6.87 0.61 -0.19 0.15 -1.26 -4.60 113.70 114.67 3e0r s SER 162 Ca 0.09 1.95 0.37 0.00 0.70 0.00 0.00 55.95 59.06 3e0r s SER 162 Cb -0.11 -2.58 1.96 0.00 -1.71 0.00 0.00 66.02 63.58 3e0r s SER 162 CO 0.00 -0.41 2.23 -0.26 1.20 0.00 0.00 173.24 176.01 3e0r h PHE 163 N 2.51 0.00 -2.87 3.44 0.04 -1.97 -3.43 116.94 114.66 3e0r h PHE 163 Ca -0.48 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.72 3e0r h PHE 163 Cb 1.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 3e0r h PHE 163 CO 0.59 0.03 0.93 -0.51 -0.60 0.00 0.00 178.31 178.75 3e0r s LEU 164 N -6.69 4.20 0.13 1.54 1.43 -1.26 -5.03 118.68 113.00 3e0r s LEU 164 Ca -0.04 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 54.64 3e0r s LEU 164 Cb 0.13 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 3e0r s LEU 164 CO 0.49 -0.79 0.63 -1.61 0.23 0.00 0.00 176.35 175.31 3e0r s GLU 165 N 3.58 4.23 0.50 1.70 0.41 -1.26 -4.96 118.70 122.90 3e0r s GLU 165 Ca 0.57 0.79 0.25 0.00 -0.41 0.00 0.00 54.97 56.17 3e0r s GLU 165 Cb -0.23 -3.11 1.33 0.00 -1.78 0.00 0.00 34.13 30.34 3e0r s GLU 165 CO 0.17 0.55 1.93 0.77 -0.49 0.00 0.00 175.26 178.18 3e0r h SER 166 N 4.08 0.12 -0.21 -0.19 0.02 -1.95 0.23 113.55 115.65 3e0r h SER 166 Ca -0.49 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.51 3e0r h SER 166 Cb 1.20 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 3e0r h SER 166 CO 0.65 0.05 -0.04 0.28 -1.14 0.00 0.00 176.83 176.63 3e0r h SER 167 N 0.12 -0.17 0.10 3.07 0.02 -1.94 -2.85 113.55 111.90 3e0r h SER 167 Ca 0.36 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 3e0r h SER 167 Cb 1.24 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3e0r h SER 167 CO -0.05 -0.06 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.21 3e0r h GLU 168 N 0.01 -0.13 0.00 3.45 5.08 -1.70 -3.36 114.58 117.92 3e0r h GLU 168 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3e0r h GLU 168 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3e0r h GLU 168 CO -0.20 -0.09 0.00 0.44 -1.00 0.00 0.00 179.01 178.16 3e0r n ILE 169 N -4.82 0.33 -1.55 3.13 -5.35 -0.03 -4.90 119.36 106.19 3e0r n ILE 169 Ca -0.02 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 3e0r n ILE 169 Cb 0.05 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 3e0r n ILE 169 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3e0r n GLY 170 N 0.02 1.96 0.06 3.28 0.00 -1.08 -2.95 105.19 106.49 3e0r n GLY 170 Ca 0.09 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3e0r n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e0r n ALA 171 N 6.66 3.00 0.31 4.61 0.00 -1.26 -4.11 120.51 129.71 3e0r n ALA 171 Ca 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 53.44 53.31 3e0r n ALA 171 Cb 0.00 -1.08 1.00 0.00 0.00 0.00 0.00 19.45 19.37 3e0r n ALA 171 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3e0r h SER 172 N 0.00 0.00 -3.26 0.00 0.02 -1.89 -3.42 113.55 105.01 3e0r h SER 172 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 3e0r h SER 172 Cb 0.80 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.95 3e0r h SER 172 CO 0.00 0.00 -0.76 -0.22 -1.14 0.00 0.00 176.83 174.71 3e0r s LEU 173 N -7.23 0.55 -0.19 5.07 0.20 -1.17 -4.48 118.68 111.43 3e0r s LEU 173 Ca -0.05 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.63 3e0r s LEU 173 Cb 0.14 -0.40 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 3e0r s LEU 173 CO 0.51 -0.21 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.62 3e0r s ASP 174 N 2.00 3.90 -0.20 3.68 2.15 -1.26 -4.81 116.67 122.13 3e0r s ASP 174 Ca 0.04 -0.45 -0.16 0.00 0.43 0.00 0.00 52.55 52.42 3e0r s ASP 174 Cb -0.13 -1.63 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 3e0r s ASP 174 CO -0.05 0.03 0.38 -0.36 -0.17 0.00 0.00 175.17 175.00 3e0r s PHE 175 N 1.14 3.38 -0.19 -5.34 0.08 -1.26 0.16 117.98 115.95 3e0r s PHE 175 Ca 0.01 0.60 -0.06 0.00 0.12 0.00 0.00 56.93 57.60 3e0r s PHE 175 Cb -0.14 -2.50 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 3e0r s PHE 175 CO -0.03 0.01 0.02 0.42 -0.10 0.00 0.00 175.22 175.54 3e0r s ILE 176 N 1.23 4.21 0.53 0.64 1.01 0.10 -4.92 121.20 124.00 3e0r s ILE 176 Ca 0.18 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 3e0r s ILE 176 Cb -0.15 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 3e0r s ILE 176 CO 0.08 0.44 1.30 -2.84 0.00 0.00 0.00 174.94 173.92 3e0r s PRO 177 N 0.78 3.24 -0.15 2.79 0.02 -1.26 -0.68 135.00 139.74 3e0r s PRO 177 Ca 0.01 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 62.83 3e0r s PRO 177 Cb -0.14 -2.25 0.11 0.00 0.02 0.00 0.00 34.50 32.25 3e0r s PRO 177 CO 0.02 -1.07 0.93 0.00 -0.33 0.00 0.00 177.00 176.56 3e0r s ALA 178 N -1.38 -1.90 0.06 -1.55 0.00 -1.00 -4.77 121.76 111.22 3e0r s ALA 178 Ca 0.71 1.58 0.08 0.00 0.00 0.00 0.00 51.96 54.32 3e0r s ALA 178 Cb -0.37 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3e0r s ALA 178 CO 0.43 -0.31 -0.22 -0.65 0.00 0.00 0.00 175.76 175.01 3e0r s GLN 179 N -0.95 1.42 0.00 0.00 1.11 -1.26 -3.61 119.66 116.38 3e0r s GLN 179 Ca -0.03 -1.04 0.00 0.00 0.01 0.00 0.00 55.36 54.31 3e0r s GLN 179 Cb -0.01 -1.60 0.00 0.00 -1.01 0.00 0.00 33.01 30.39 3e0r s GLN 179 CO 0.02 0.40 0.00 0.41 0.01 0.00 0.00 175.29 176.14 3e0r n GLY 180 N 1.65 2.41 0.35 3.09 0.00 -1.26 -4.50 105.19 106.93 3e0r n GLY 180 Ca -0.18 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.48 3e0r n GLY 180 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3e0r h GLN 181 N 0.00 0.91 -0.58 1.61 3.07 -1.90 -3.06 115.11 115.16 3e0r h GLN 181 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 3e0r h GLN 181 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.35 3e0r h GLN 181 CO 0.00 0.60 0.00 -0.25 0.09 0.00 0.00 178.83 179.27 3e0r n ASP 182 N -4.46 3.28 0.19 0.06 8.00 -1.26 -4.41 116.55 117.95 3e0r n ASP 182 Ca 0.11 -1.99 0.14 0.00 0.71 0.00 0.00 54.79 53.76 3e0r n ASP 182 Cb 0.14 -0.38 0.52 0.00 -0.02 0.00 0.00 41.12 41.37 3e0r n ASP 182 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3e0r h LEU 183 N 3.68 0.00 -2.53 0.64 3.38 -1.77 -3.03 115.31 115.67 3e0r h LEU 183 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3e0r h LEU 183 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3e0r h LEU 183 CO 0.00 0.00 -0.07 0.35 0.09 0.00 0.00 178.44 178.81 3e0r n THR 184 N -2.64 0.98 -1.87 0.22 -2.24 -1.26 -4.81 114.28 102.66 3e0r n THR 184 Ca 0.02 -1.11 -0.39 0.00 -2.27 0.00 0.00 64.05 60.30 3e0r n THR 184 Cb 0.32 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3e0r n THR 184 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3e0r s VAL 185 N -1.31 2.25 0.27 2.28 0.11 -1.15 -4.43 120.40 118.43 3e0r s VAL 185 Ca 0.10 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 3e0r s VAL 185 Cb 0.09 -3.12 -0.14 0.00 -1.53 0.00 0.00 36.38 31.68 3e0r s VAL 185 CO 0.01 0.02 1.02 -0.67 -3.33 0.00 0.00 175.10 172.15 3e0r n ASP 186 N -0.42 1.27 0.00 3.54 2.03 -1.26 -4.73 116.55 116.99 3e0r n ASP 186 Ca 0.07 1.17 0.09 0.00 0.52 0.00 0.00 54.79 56.64 3e0r n ASP 186 Cb 0.44 -1.28 0.43 0.00 -0.72 0.00 0.00 41.12 39.99 3e0r n ASP 186 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3e0r n ASN 187 N 1.35 0.00 0.07 1.67 2.04 -1.26 -0.82 115.26 118.31 3e0r n ASN 187 Ca 0.10 0.25 0.13 0.00 -0.44 0.00 0.00 54.58 54.62 3e0r n ASN 187 Cb 0.31 -0.39 0.42 0.00 -2.53 0.00 0.00 39.78 37.59 3e0r n ASN 187 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 3e0r n THR 188 N -1.39 0.40 0.11 5.53 -2.24 -1.26 -4.35 114.28 111.08 3e0r n THR 188 Ca 0.07 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 3e0r n THR 188 Cb 0.18 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 67.80 3e0r n THR 188 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3e0r h VAL 189 N 0.00 1.42 -3.43 2.28 2.07 -1.26 -3.42 116.25 113.92 3e0r h VAL 189 Ca 0.00 -2.89 -0.32 0.00 0.82 0.00 0.00 66.70 64.32 3e0r h VAL 189 Cb 0.67 2.93 -0.15 0.00 -1.52 0.00 0.00 31.29 33.22 3e0r h VAL 189 CO 0.00 0.85 -0.71 0.42 0.02 0.00 0.00 177.57 178.15 3e0r s THR 190 N -2.70 1.12 -0.65 2.57 -4.23 -1.26 -1.59 115.64 108.91 3e0r s THR 190 Ca -0.06 -2.05 -0.27 0.00 -1.18 0.00 0.00 61.69 58.13 3e0r s THR 190 Cb 0.06 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.10 3e0r s THR 190 CO 0.90 -0.75 1.19 0.26 -0.54 0.00 0.00 174.62 175.68 3e0r s TRP 191 N -3.36 2.50 0.24 3.99 0.51 -0.63 -4.82 118.94 117.37 3e0r s TRP 191 Ca 0.16 0.12 -0.09 0.00 -2.12 0.00 0.00 56.10 54.18 3e0r s TRP 191 Cb 0.03 -4.50 0.03 0.00 -0.81 0.00 0.00 33.47 28.22 3e0r s TRP 191 CO 0.00 -1.76 0.48 -3.47 -0.51 0.00 0.00 176.95 171.69 3e0r n ASP 192 N 8.66 -1.38 -4.67 2.95 -0.08 -1.26 -4.58 116.55 116.19 3e0r n ASP 192 Ca 0.05 -2.00 -0.42 0.00 -1.51 0.00 0.00 54.79 50.90 3e0r n ASP 192 Cb 0.49 2.32 -0.03 0.00 2.34 0.00 0.00 41.12 46.23 3e0r n ASP 192 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3e0r n LEU 193 N 0.00 4.13 -0.13 -2.67 7.94 -1.26 -1.49 117.00 123.52 3e0r n LEU 193 Ca -0.05 0.92 0.01 0.00 -1.11 0.00 0.00 56.01 55.78 3e0r n LEU 193 Cb 0.37 -1.52 0.03 0.00 0.53 0.00 0.00 43.42 42.82 3e0r n LEU 193 CO 0.17 0.19 0.51 -1.54 -1.11 0.00 0.00 177.39 175.61 3e0r n SER 194 N 7.19 2.11 -3.81 1.96 3.41 -0.44 -4.81 113.62 119.23 3e0r n SER 194 Ca 0.20 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.69 3e0r n SER 194 Cb 0.40 -0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 3e0r n SER 194 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3e0r s LEU 196 N -0.93 0.95 -0.18 1.04 1.43 0.04 -1.78 118.68 119.25 3e0r s LEU 196 Ca 0.05 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3e0r s LEU 196 Cb 0.02 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 3e0r s LEU 196 CO 0.03 -0.13 0.07 -0.75 0.23 0.00 0.00 176.35 175.80 3e0r s LYS 197 N 1.36 4.00 -0.29 1.70 2.20 0.11 -1.23 119.74 127.58 3e0r s LYS 197 Ca -0.05 -0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.17 3e0r s LYS 197 Cb -0.13 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3e0r s LYS 197 CO -0.02 0.29 0.07 -0.06 -0.36 0.00 0.00 175.35 175.26 3e0r s PHE 198 N 0.34 3.15 -0.11 4.03 0.08 0.37 -0.67 117.98 125.16 3e0r s PHE 198 Ca 0.04 -1.04 -0.21 0.00 0.12 0.00 0.00 56.93 55.84 3e0r s PHE 198 Cb -0.12 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3e0r s PHE 198 CO -0.00 -0.59 0.61 -0.51 -0.10 0.00 0.00 175.22 174.62 3e0r s LEU 199 N 1.48 4.27 0.11 -0.37 1.43 -0.50 -1.80 118.68 123.30 3e0r s LEU 199 Ca 0.02 0.99 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 3e0r s LEU 199 Cb -0.17 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3e0r s LEU 199 CO 0.02 -0.10 -0.17 0.68 0.23 0.00 0.00 176.35 177.01 3e0r s VAL 200 N 0.93 1.46 0.12 -1.59 -7.23 -0.32 0.22 120.40 113.99 3e0r s VAL 200 Ca 0.32 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 3e0r s VAL 200 Cb -0.16 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 3e0r s VAL 200 CO 0.14 -0.23 1.61 -0.55 -0.31 0.00 0.00 175.10 175.76 3e0r h ASN 201 N 3.89 -0.98 -3.76 4.85 -1.07 -1.32 -2.56 115.58 114.63 3e0r h ASN 201 Ca -0.43 0.12 -0.29 0.00 0.07 0.00 0.00 56.30 55.78 3e0r h ASN 201 Cb 1.19 0.39 -0.29 0.00 -2.07 0.00 0.00 38.32 37.53 3e0r h ASN 201 CO 0.44 -0.40 -0.74 -0.70 0.07 0.00 0.00 177.43 176.10 3e0r s GLU 202 N -5.99 0.21 -0.19 4.14 2.12 -1.26 -4.71 118.70 113.01 3e0r s GLU 202 Ca -0.16 -0.06 -0.23 0.00 0.36 0.00 0.00 54.97 54.88 3e0r s GLU 202 Cb 0.09 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.22 3e0r s GLU 202 CO 0.65 0.02 0.72 -1.17 -0.54 0.00 0.00 175.26 174.95 3e0r s LEU 203 N 0.11 4.15 -0.36 2.70 2.96 -1.26 0.03 118.68 127.02 3e0r s LEU 203 Ca -0.01 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 3e0r s LEU 203 Cb -0.03 -3.05 0.07 0.00 0.50 0.00 0.00 46.19 43.69 3e0r s LEU 203 CO -0.00 -0.34 0.12 -0.62 -1.32 0.00 0.00 176.35 174.18 3e0r s ASP 204 N 1.20 5.18 0.31 3.68 2.15 -1.26 -4.90 116.67 123.04 3e0r s ASP 204 Ca 0.33 -1.55 0.06 0.00 0.43 0.00 0.00 52.55 51.81 3e0r s ASP 204 Cb -0.16 -1.81 0.52 0.00 -0.30 0.00 0.00 42.92 41.17 3e0r s ASP 204 CO 0.11 -0.40 1.77 0.40 -0.17 0.00 0.00 175.17 176.87 3e0r h ILE 205 N 6.34 1.26 -0.31 4.11 2.04 -1.96 -3.12 117.51 125.86 3e0r h ILE 205 Ca -0.19 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3e0r h ILE 205 Cb 1.06 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3e0r h ILE 205 CO 0.63 0.38 0.19 0.00 0.00 0.00 0.00 178.15 179.34 3e0r h ALA 206 N 1.42 0.39 -0.57 1.87 0.00 -1.99 -0.74 119.26 119.63 3e0r h ALA 206 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3e0r h ALA 206 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3e0r h ALA 206 CO 0.05 -0.11 0.03 0.77 0.00 0.00 0.00 179.25 179.99 3e0r h SER 207 N 0.40 0.94 -0.44 0.00 0.02 -1.98 -2.08 113.55 110.40 3e0r h SER 207 Ca 0.11 -0.24 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 3e0r h SER 207 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3e0r h SER 207 CO -0.02 0.98 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.31 3e0r h LEU 208 N 0.90 1.00 -0.23 5.07 3.38 -1.44 -0.23 115.31 123.76 3e0r h LEU 208 Ca 0.17 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3e0r h LEU 208 Cb 0.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3e0r h LEU 208 CO 0.02 1.20 0.10 0.03 0.09 0.00 0.00 178.44 179.88 3e0r h ARG 209 N 0.80 0.21 -0.04 1.13 3.08 -0.98 -1.04 114.38 117.54 3e0r h ARG 209 Ca 0.09 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3e0r h ARG 209 Cb 0.85 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3e0r h ARG 209 CO 0.08 0.14 -0.14 0.37 -1.07 0.00 0.00 179.97 179.35 3e0r h GLN 210 N 0.22 -0.20 -0.48 0.04 4.15 -1.25 -0.45 115.11 117.14 3e0r h GLN 210 Ca 0.10 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.63 3e0r h GLN 210 Cb 0.04 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 3e0r h GLN 210 CO -0.08 -0.13 -0.14 -0.22 -1.93 0.00 0.00 178.83 176.33 3e0r h LYS 211 N -0.21 -0.02 -0.66 1.69 3.64 -0.72 -3.10 116.57 117.19 3e0r h LYS 211 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3e0r h LYS 211 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3e0r h LYS 211 CO -0.16 -0.01 0.00 1.19 -2.27 0.00 0.00 179.45 178.19 3e0r n PHE 212 N -5.36 1.40 -0.34 1.91 3.72 -0.42 -4.56 117.46 113.81 3e0r n PHE 212 Ca 0.04 -0.57 0.26 0.00 -0.05 0.00 0.00 57.45 57.13 3e0r n PHE 212 Cb 0.27 -0.22 0.55 0.00 -0.94 0.00 0.00 39.48 39.14 3e0r n PHE 212 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3e0r h GLU 213 N 3.97 0.31 -0.85 -1.08 4.81 -0.99 -1.35 114.58 119.40 3e0r h GLU 213 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3e0r h GLU 213 Cb 1.37 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3e0r h GLU 213 CO 0.21 0.20 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 3e0r n SER 214 N -4.61 0.85 -3.81 1.04 3.41 -1.26 -4.90 113.62 104.34 3e0r n SER 214 Ca 0.27 -1.88 -0.08 0.00 -0.26 0.00 0.00 58.87 56.92 3e0r n SER 214 Cb 0.98 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3e0r n SER 214 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3e0r s THR 215 N -1.10 0.00 0.18 6.66 -1.32 -0.51 -5.15 115.64 114.41 3e0r s THR 215 Ca 0.00 -0.88 -0.31 0.00 -1.21 0.00 0.00 61.69 59.29 3e0r s THR 215 Cb 0.00 -1.87 -0.09 0.00 -1.51 0.00 0.00 72.50 69.02 3e0r s THR 215 CO 0.00 -0.00 1.48 -1.61 -2.21 0.00 0.00 174.62 172.27 3e0r s GLU 216 N -3.90 4.26 0.21 7.08 2.02 -1.26 -5.02 118.70 122.09 3e0r s GLU 216 Ca 0.10 2.26 -0.05 0.00 0.02 0.00 0.00 54.97 57.30 3e0r s GLU 216 Cb -0.05 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 3e0r s GLU 216 CO 0.04 -0.49 0.25 1.52 0.02 0.00 0.00 175.26 176.60 3e0r s TYR 217 N 0.75 0.86 -0.05 1.61 -0.85 -1.26 -3.85 117.35 114.56 3e0r s TYR 217 Ca 0.65 -1.14 -0.02 0.00 -0.52 0.00 0.00 57.07 56.05 3e0r s TYR 217 Cb -0.41 -0.29 0.04 0.00 0.38 0.00 0.00 41.96 41.67 3e0r s TYR 217 CO 0.35 -0.76 0.10 0.12 -1.52 0.00 0.00 175.55 173.84 3e0r s PHE 218 N -4.10 -0.07 -0.17 -3.49 5.36 0.13 -5.00 117.98 110.63 3e0r s PHE 218 Ca 0.32 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 3e0r s PHE 218 Cb 0.04 -0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.55 3e0r s PHE 218 CO 0.10 -0.15 -0.20 0.42 -1.46 0.00 0.00 175.22 173.94 3e0r s ILE 219 N 1.29 2.10 0.75 3.12 1.01 -1.26 -0.59 121.20 127.62 3e0r s ILE 219 Ca -0.07 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 3e0r s ILE 219 Cb -0.12 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.52 3e0r s ILE 219 CO -0.05 0.54 1.17 -2.16 0.00 0.00 0.00 174.94 174.45 3e0r s PRO 220 N 1.22 2.10 0.47 2.79 0.04 -1.26 -4.93 135.00 135.42 3e0r s PRO 220 Ca 0.03 1.62 0.27 0.00 0.04 0.00 0.00 61.00 62.97 3e0r s PRO 220 Cb -0.13 -1.84 1.32 0.00 0.04 0.00 0.00 34.50 33.89 3e0r s PRO 220 CO -0.11 -1.84 1.78 -0.22 0.04 0.00 0.00 177.00 176.65 3e0r h LYS 221 N -0.53 0.19 0.00 4.56 1.63 -2.00 -1.41 116.57 119.01 3e0r h LYS 221 Ca -0.47 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.31 3e0r h LYS 221 Cb 1.28 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3e0r h LYS 221 CO 0.49 0.13 -0.09 0.66 -3.45 0.00 0.00 179.45 177.19 3e0r h SER 222 N 0.20 0.00 -0.68 4.20 4.64 -1.98 -3.46 113.55 116.47 3e0r h SER 222 Ca 0.59 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.62 3e0r h SER 222 Cb 1.89 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.87 3e0r h SER 222 CO -0.17 0.09 -0.26 -0.62 -0.87 0.00 0.00 176.83 174.99 3e0r n GLU 223 N -3.30 -0.98 0.06 4.77 1.02 -0.53 -4.88 120.64 116.79 3e0r n GLU 223 Ca -0.01 0.99 0.13 0.00 -0.02 0.00 0.00 57.16 58.26 3e0r n GLU 223 Cb 0.29 -5.09 0.39 0.00 -0.02 0.00 0.00 31.44 27.00 3e0r n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3e0r n LYS 224 N -2.59 0.19 -3.92 3.49 5.02 -1.26 -4.88 118.16 114.21 3e0r n LYS 224 Ca -0.14 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3e0r n LYS 224 Cb 0.46 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3e0r n LYS 224 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3e0r s PHE 225 N -3.09 0.20 -0.09 2.13 -0.12 -1.26 -4.44 117.98 111.32 3e0r s PHE 225 Ca 0.10 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.34 3e0r s PHE 225 Cb 0.14 0.49 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 3e0r s PHE 225 CO 0.62 -1.23 -0.10 0.12 -0.05 0.00 0.00 175.22 174.57 3e0r s PHE 226 N -3.46 1.51 -0.29 3.49 5.36 -0.39 -4.18 117.98 120.03 3e0r s PHE 226 Ca 0.18 -0.66 -0.04 0.00 -0.96 0.00 0.00 56.93 55.44 3e0r s PHE 226 Cb -0.04 -1.17 0.03 0.00 -0.34 0.00 0.00 43.02 41.50 3e0r s PHE 226 CO 0.10 -0.40 0.02 -1.17 -1.46 0.00 0.00 175.22 172.32 3e0r s LEU 227 N 1.15 3.73 0.00 6.12 2.96 0.24 -0.43 118.68 132.45 3e0r s LEU 227 Ca -0.05 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 52.94 3e0r s LEU 227 Cb -0.14 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.81 3e0r s LEU 227 CO -0.02 -0.21 0.31 0.61 -1.32 0.00 0.00 176.35 175.72 3e0r n GLY 228 N 4.74 2.91 2.85 7.98 0.00 0.07 0.20 105.19 123.94 3e0r n GLY 228 Ca -0.14 -2.30 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 3e0r n GLY 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e0r s LYS 229 N -3.98 0.00 0.46 1.61 2.20 -1.25 -0.12 119.74 118.66 3e0r s LYS 229 Ca 0.24 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.94 3e0r s LYS 229 Cb -0.02 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 3e0r s LYS 229 CO 0.15 -0.07 0.72 0.34 -0.36 0.00 0.00 175.35 176.12 3e0r s ASP 230 N 0.47 5.96 0.64 1.43 2.15 -0.16 -4.93 116.67 122.24 3e0r s ASP 230 Ca -0.04 0.53 0.40 0.00 0.43 0.00 0.00 52.55 53.87 3e0r s ASP 230 Cb -0.06 -1.80 2.25 0.00 -0.30 0.00 0.00 42.92 43.01 3e0r s ASP 230 CO -0.01 -0.67 2.34 0.03 -0.17 0.00 0.00 175.17 176.68 3e0r h ARG 231 N 0.32 0.00 -0.40 4.34 3.08 -1.88 0.30 114.38 120.13 3e0r h ARG 231 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3e0r h ARG 231 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3e0r h ARG 231 CO 0.60 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.77 3e0r n ASN 232 N -3.33 2.30 -0.09 7.04 0.23 -1.26 -4.95 115.26 115.19 3e0r n ASN 232 Ca -0.03 -1.96 -0.01 0.00 -0.53 0.00 0.00 54.58 52.05 3e0r n ASN 232 Cb 0.07 -0.27 -0.01 0.00 -2.08 0.00 0.00 39.78 37.50 3e0r n ASN 232 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3e0r n ASN 233 N 0.75 -4.38 -4.68 0.53 3.02 0.11 -4.28 115.26 106.33 3e0r n ASN 233 Ca 0.15 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3e0r n ASN 233 Cb 0.37 -1.99 -0.03 0.00 -0.61 0.00 0.00 39.78 37.53 3e0r n ASN 233 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3e0r s VAL 234 N -1.63 3.94 0.36 2.41 1.01 -1.26 -4.24 120.40 120.99 3e0r s VAL 234 Ca 0.00 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 3e0r s VAL 234 Cb 0.00 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 3e0r s VAL 234 CO 0.00 -0.04 1.39 -1.61 0.00 0.00 0.00 175.10 174.85 3e0r s GLU 235 N 2.77 4.19 -0.27 2.72 2.02 -0.73 -0.99 118.70 128.41 3e0r s GLU 235 Ca 0.61 2.38 0.02 0.00 0.02 0.00 0.00 54.97 58.00 3e0r s GLU 235 Cb -0.28 -2.99 0.08 0.00 0.10 0.00 0.00 34.13 31.04 3e0r s GLU 235 CO 0.23 -0.39 -0.02 -0.51 0.02 0.00 0.00 175.26 174.59 3e0r s LEU 236 N -2.01 3.20 -0.18 1.80 1.43 0.82 -0.78 118.68 122.96 3e0r s LEU 236 Ca 0.52 -1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.05 3e0r s LEU 236 Cb -0.43 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3e0r s LEU 236 CO 0.57 -0.29 0.01 0.86 0.23 0.00 0.00 176.35 177.74 3e0r s TRP 237 N 1.26 3.11 -0.10 0.29 -0.11 -0.37 -0.75 118.94 122.27 3e0r s TRP 237 Ca -0.00 -0.20 0.03 0.00 1.22 0.00 0.00 56.10 57.16 3e0r s TRP 237 Cb -0.19 -2.04 -0.01 0.00 -1.50 0.00 0.00 33.47 29.73 3e0r s TRP 237 CO -0.09 -0.02 -0.21 -0.06 -4.62 0.00 0.00 176.95 171.95 3e0r s PHE 238 N 0.55 2.61 0.13 5.86 0.08 0.42 0.14 117.98 127.77 3e0r s PHE 238 Ca -0.00 -0.83 -0.12 0.00 0.12 0.00 0.00 56.93 56.10 3e0r s PHE 238 Cb -0.14 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3e0r s PHE 238 CO 0.02 -0.29 0.32 -1.83 -0.10 0.00 0.00 175.22 173.33 3e0r s GLU 239 N 0.18 1.04 0.51 0.44 -1.05 -0.74 -1.26 118.70 117.83 3e0r s GLU 239 Ca -0.12 -0.90 -0.21 0.00 -0.15 0.00 0.00 54.97 53.58 3e0r s GLU 239 Cb -0.16 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 33.88 3e0r s GLU 239 CO 0.07 -0.38 1.17 -1.21 0.95 0.00 0.00 175.26 175.85 3e0r s GLU 240 N -3.86 3.47 0.00 -4.83 2.02 -1.26 -1.17 118.70 113.07 3e0r s GLU 240 Ca 0.07 1.75 0.31 0.00 0.02 0.00 0.00 54.97 57.12 3e0r s GLU 240 Cb 0.03 -2.19 1.79 0.00 0.10 0.00 0.00 34.13 33.86 3e0r s GLU 240 CO -0.08 -0.78 2.16 1.55 0.02 0.00 0.00 175.26 178.13