#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xts n GLN 3 N 0.00 -0.07 -4.07 -0.52 0.00 -1.26 -4.31 117.38 107.15 1xts n GLN 3 Ca 0.00 1.31 -0.19 0.00 -0.00 0.00 0.00 57.00 58.12 1xts n GLN 3 Cb 0.00 -2.16 -0.16 0.00 0.00 0.00 0.00 30.24 27.92 1xts n GLN 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1xts s SER 4 N -4.88 0.72 0.12 1.69 0.15 -1.26 -3.68 113.70 106.56 1xts s SER 4 Ca -0.11 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1xts s SER 4 Cb 0.28 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1xts s SER 4 CO 0.70 -0.07 0.03 -0.54 1.20 0.00 0.00 173.24 174.56 1xts s LYS 5 N 0.95 2.63 -0.18 5.44 1.02 -1.11 -4.94 119.74 123.55 1xts s LYS 5 Ca -0.11 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.01 1xts s LYS 5 Cb -0.14 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1xts s LYS 5 CO -0.01 0.52 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.69 1xts s SER 6 N -2.57 3.71 -0.03 2.83 0.01 -1.26 0.68 113.70 117.06 1xts s SER 6 Ca 0.27 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.08 1xts s SER 6 Cb -0.11 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 1xts s SER 6 CO 0.20 0.04 -0.13 -0.13 0.41 0.00 0.00 173.24 173.62 1xts s ARG 7 N 1.09 1.35 -0.15 12.44 3.00 -1.04 -4.96 118.95 130.68 1xts s ARG 7 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 55.73 55.21 1xts s ARG 7 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 34.95 33.55 1xts s ARG 7 CO -0.04 0.19 0.06 0.21 0.00 0.00 0.00 175.30 175.72 1xts s LYS 8 N 0.07 3.67 -0.04 3.54 2.20 -1.26 -0.98 119.74 126.94 1xts s LYS 8 Ca -0.03 -0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1xts s LYS 8 Cb -0.10 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1xts s LYS 8 CO 0.01 0.45 -0.25 0.42 -0.36 0.00 0.00 175.35 175.62 1xts s ILE 9 N -0.13 2.14 -0.09 5.43 1.09 0.28 -0.69 121.20 129.22 1xts s ILE 9 Ca 0.07 -1.06 -0.00 0.00 -1.10 0.00 0.00 60.65 58.56 1xts s ILE 9 Cb -0.12 -1.76 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 1xts s ILE 9 CO 0.01 0.58 -0.07 0.00 -0.10 0.00 0.00 174.94 175.35 1xts s ALA 10 N -0.39 2.92 -0.30 9.38 0.00 -0.35 0.28 121.76 133.31 1xts s ALA 10 Ca 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1xts s ALA 10 Cb -0.12 -1.28 0.05 0.00 0.00 0.00 0.00 23.12 21.77 1xts s ALA 10 CO 0.01 0.46 -0.00 0.42 0.00 0.00 0.00 175.76 176.65 1xts s ILE 11 N -0.42 3.00 0.35 0.00 1.01 -0.36 -1.07 121.20 123.70 1xts s ILE 11 Ca 0.06 -1.36 0.09 0.00 0.00 0.00 0.00 60.65 59.44 1xts s ILE 11 Cb -0.12 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1xts s ILE 11 CO 0.02 -0.09 0.06 -0.76 0.00 0.00 0.00 174.94 174.17 1xts s LEU 12 N 1.26 3.07 0.00 2.97 1.43 -0.07 -2.96 118.68 124.37 1xts s LEU 12 Ca -0.05 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1xts s LEU 12 Cb -0.20 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1xts s LEU 12 CO -0.01 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1xts n GLY 13 N -1.03 2.85 3.75 -3.19 0.00 -1.26 -1.68 105.19 104.62 1xts n GLY 13 Ca -0.04 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1xts n GLY 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xts s TYR 14 N -2.00 2.26 0.52 1.61 5.04 -1.25 -2.40 117.35 121.13 1xts s TYR 14 Ca 0.00 1.43 -0.22 0.00 -2.44 0.00 0.00 57.07 55.84 1xts s TYR 14 Cb 0.00 -3.71 -0.06 0.00 0.35 0.00 0.00 41.96 38.54 1xts s TYR 14 CO 0.00 -2.75 1.29 2.89 -1.34 0.00 0.00 175.55 175.63 1xts n ARG 15 N -1.34 1.67 -0.93 4.97 1.85 -1.25 -3.12 116.66 118.51 1xts n ARG 15 Ca 0.12 0.61 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 1xts n ARG 15 Cb 0.47 -2.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 1xts n ARG 15 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1xts n SER 16 N -0.63 -2.96 0.26 2.89 2.88 -1.26 -4.87 113.62 109.93 1xts n SER 16 Ca 0.10 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.79 1xts n SER 16 Cb 0.44 -1.60 0.57 0.00 -0.75 0.00 0.00 64.21 62.86 1xts n SER 16 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1xts h VAL 17 N 0.00 0.07 0.00 2.46 -1.51 -1.92 -3.47 116.25 111.88 1xts h VAL 17 Ca 0.00 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1xts h VAL 17 Cb 0.30 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1xts h VAL 17 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1xts n GLY 18 N 0.23 1.75 0.10 5.19 0.00 -1.26 -4.64 105.19 106.56 1xts n GLY 18 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1xts n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xts h LYS 19 N 0.00 0.14 0.42 1.61 1.57 -1.91 0.13 116.57 118.53 1xts h LYS 19 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1xts h LYS 19 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xts h LYS 19 CO 0.00 0.09 -0.20 0.77 -0.57 0.00 0.00 179.45 179.54 1xts h SER 20 N 0.15 -0.48 -0.41 0.86 0.02 -1.95 -1.52 113.55 110.23 1xts h SER 20 Ca 0.08 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1xts h SER 20 Cb 0.06 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 1xts h SER 20 CO -0.09 -0.30 -0.00 0.28 -1.14 0.00 0.00 176.83 175.57 1xts h SER 21 N -0.61 -0.18 -0.78 3.07 0.02 -1.90 0.89 113.55 114.06 1xts h SER 21 Ca -0.06 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1xts h SER 21 Cb 0.46 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.12 1xts h SER 21 CO 0.09 -0.05 0.48 0.25 -1.14 0.00 0.00 176.83 176.47 1xts h LEU 22 N 0.10 0.77 -0.04 5.07 5.85 -0.67 0.21 115.31 126.60 1xts h LEU 22 Ca 0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xts h LEU 22 Cb 0.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xts h LEU 22 CO -0.34 0.52 -0.06 0.74 -0.34 0.00 0.00 178.44 178.95 1xts h THR 23 N 0.91 1.40 -0.47 1.05 2.02 -0.18 -2.95 112.91 114.69 1xts h THR 23 Ca 0.33 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 66.28 1xts h THR 23 Cb 0.09 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 1xts h THR 23 CO -0.14 0.35 0.16 0.40 0.37 0.00 0.00 175.52 176.66 1xts h ILE 24 N -0.37 0.83 -0.63 3.11 1.08 0.11 -0.48 117.51 121.15 1xts h ILE 24 Ca 0.00 -0.11 0.12 0.00 -0.39 0.00 0.00 64.86 64.48 1xts h ILE 24 Cb 0.60 0.47 -0.09 0.00 -3.07 0.00 0.00 36.82 34.74 1xts h ILE 24 CO 0.01 0.06 0.18 -0.61 -0.69 0.00 0.00 178.15 177.10 1xts h GLN 25 N 0.33 0.31 -0.17 2.37 5.75 -0.60 0.15 115.11 123.25 1xts h GLN 25 Ca 0.23 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1xts h GLN 25 Cb 0.24 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1xts h GLN 25 CO -0.24 0.21 -0.06 0.35 -2.65 0.00 0.00 178.83 176.43 1xts h PHE 26 N 0.32 0.39 0.20 3.99 3.57 -1.19 -1.59 116.94 122.62 1xts h PHE 26 Ca 0.33 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1xts h PHE 26 Cb 0.49 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1xts h PHE 26 CO -0.22 0.63 -0.09 0.28 -2.23 0.00 0.00 178.31 176.68 1xts h VAL 27 N 0.03 0.00 0.12 1.41 2.07 -0.71 -3.40 116.25 115.79 1xts h VAL 27 Ca 0.04 -0.57 -0.28 0.00 0.82 0.00 0.00 66.70 66.71 1xts h VAL 27 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1xts h VAL 27 CO 0.02 0.00 -1.32 -0.33 0.02 0.00 0.00 177.57 175.96 1xts h GLU 28 N -0.83 0.26 0.00 1.57 5.08 -0.90 -3.49 114.58 116.27 1xts h GLU 28 Ca -0.03 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1xts h GLU 28 Cb 0.20 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xts h GLU 28 CO 0.04 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.65 1xts n GLY 29 N 1.57 0.42 3.48 -3.84 0.00 -0.60 -5.02 105.19 101.20 1xts n GLY 29 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1xts n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xts s GLN 30 N -0.78 1.69 -0.40 1.61 -2.07 -1.26 -4.92 119.66 113.53 1xts s GLN 30 Ca 0.00 -1.82 -0.17 0.00 -1.82 0.00 0.00 55.36 51.55 1xts s GLN 30 Cb 0.00 -1.61 0.01 0.00 -1.09 0.00 0.00 33.01 30.32 1xts s GLN 30 CO 0.00 0.21 0.41 0.12 -1.32 0.00 0.00 175.29 174.71 1xts s PHE 31 N -2.65 3.18 -0.16 9.60 5.36 -1.26 -3.56 117.98 128.49 1xts s PHE 31 Ca 0.30 -0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 55.67 1xts s PHE 31 Cb -0.01 -2.82 -0.01 0.00 -0.34 0.00 0.00 43.02 39.84 1xts s PHE 31 CO 0.14 -0.63 1.16 0.54 -1.46 0.00 0.00 175.22 174.97 1xts s VAL 32 N 2.08 4.44 -0.40 3.12 0.11 -1.26 -4.93 120.40 123.56 1xts s VAL 32 Ca 0.11 1.74 0.23 0.00 -2.93 0.00 0.00 61.98 61.14 1xts s VAL 32 Cb -0.17 -4.12 0.10 0.00 -1.53 0.00 0.00 36.38 30.66 1xts s VAL 32 CO 0.13 -0.11 1.27 -0.78 -3.33 0.00 0.00 175.10 172.28 1xts h ASP 33 N 7.72 0.00 -3.03 3.54 3.58 -2.02 -3.47 116.42 122.74 1xts h ASP 33 Ca -0.26 -0.05 -0.26 0.00 0.42 0.00 0.00 57.03 56.88 1xts h ASP 33 Cb 1.11 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.27 1xts h ASP 33 CO 0.94 0.02 0.22 -1.54 -2.88 0.00 0.00 179.24 176.01 1xts n SER 34 N -2.62 -0.30 -3.55 2.28 3.41 -1.26 -5.08 113.62 106.50 1xts n SER 34 Ca 0.02 -1.22 -0.26 0.00 -0.26 0.00 0.00 58.87 57.15 1xts n SER 34 Cb 0.51 -0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 1xts n SER 34 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xts s TYR 35 N -2.67 0.18 -0.26 7.33 6.04 -1.26 -5.09 117.35 121.62 1xts s TYR 35 Ca 0.46 -0.57 -0.01 0.00 0.04 0.00 0.00 57.07 56.99 1xts s TYR 35 Cb -0.02 -0.76 0.04 0.00 -1.04 0.00 0.00 41.96 40.17 1xts s TYR 35 CO 0.33 -0.72 -0.05 0.34 -1.54 0.00 0.00 175.55 173.91 1xts s ASP 36 N 2.15 4.46 0.51 4.32 -1.08 -1.26 -5.08 116.67 120.68 1xts s ASP 36 Ca 0.07 -1.04 -0.21 0.00 -0.52 0.00 0.00 52.55 50.84 1xts s ASP 36 Cb -0.16 -1.66 -0.08 0.00 -1.46 0.00 0.00 42.92 39.56 1xts s ASP 36 CO -0.26 -0.17 0.98 -2.65 0.52 0.00 0.00 175.17 173.60 1xts n PRO 37 N 4.63 1.16 -3.75 4.34 -0.02 -1.26 -4.95 135.00 135.15 1xts n PRO 37 Ca -0.15 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 1xts n PRO 37 Cb 0.45 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1xts n PRO 37 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xts s THR 38 N -1.40 5.35 -0.22 3.45 2.01 -1.26 -4.98 115.64 118.59 1xts s THR 38 Ca 0.69 0.42 -0.19 0.00 0.31 0.00 0.00 61.69 62.91 1xts s THR 38 Cb -0.48 -3.51 -0.17 0.00 0.01 0.00 0.00 72.50 68.35 1xts s THR 38 CO 0.53 0.60 0.07 -0.38 -0.69 0.00 0.00 174.62 174.74 1xts n ILE 39 N 2.02 1.54 0.00 1.82 5.41 -1.26 -4.06 119.36 124.83 1xts n ILE 39 Ca -0.18 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1xts n ILE 39 Cb 0.54 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1xts n ILE 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xts n GLU 40 N -4.34 0.00 -4.27 0.38 2.13 -1.26 -3.69 120.64 109.59 1xts n GLU 40 Ca -0.38 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.16 1xts n GLU 40 Cb 0.75 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.36 1xts n GLU 40 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1xts s ASN 41 N 0.00 4.26 -0.09 4.31 0.01 -1.03 -5.00 114.94 117.40 1xts s ASN 41 Ca 0.00 -0.51 -0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1xts s ASN 41 Cb 0.00 -0.74 0.03 0.00 0.41 0.00 0.00 41.25 40.95 1xts s ASN 41 CO 0.00 0.13 0.01 -0.89 -1.51 0.00 0.00 177.10 174.85 1xts s THR 42 N -1.48 0.35 0.05 1.60 2.01 -1.26 -1.27 115.64 115.63 1xts s THR 42 Ca 0.23 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.34 1xts s THR 42 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1xts s THR 42 CO 0.14 0.18 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.75 1xts s PHE 43 N 1.98 2.67 -0.26 4.92 0.40 -0.83 -4.98 117.98 121.88 1xts s PHE 43 Ca 0.04 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1xts s PHE 43 Cb -0.13 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 41.99 1xts s PHE 43 CO -0.06 0.32 -0.06 0.99 0.70 0.00 0.00 175.22 177.12 1xts s THR 44 N -1.01 1.81 0.14 0.64 2.01 -1.26 -0.60 115.64 117.36 1xts s THR 44 Ca 0.17 -1.49 0.08 0.00 0.31 0.00 0.00 61.69 60.75 1xts s THR 44 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1xts s THR 44 CO 0.08 -0.15 -0.18 -0.75 -0.69 0.00 0.00 174.62 172.93 1xts s LYS 45 N 1.25 1.17 0.19 4.92 2.20 -0.07 -4.96 119.74 124.43 1xts s LYS 45 Ca -0.05 -1.29 -0.09 0.00 -0.36 0.00 0.00 55.97 54.18 1xts s LYS 45 Cb -0.19 -1.24 -0.07 0.00 -1.51 0.00 0.00 37.83 34.82 1xts s LYS 45 CO -0.07 0.26 0.51 -0.51 -0.36 0.00 0.00 175.35 175.18 1xts s LEU 46 N -2.39 4.22 -0.28 5.43 1.43 -1.26 -1.03 118.68 124.80 1xts s LEU 46 Ca 0.11 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 53.89 1xts s LEU 46 Cb -0.07 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.73 1xts s LEU 46 CO 0.05 -0.01 0.83 -0.51 0.23 0.00 0.00 176.35 176.94 1xts s ILE 47 N -1.72 0.00 -0.16 -0.59 2.07 -1.03 -4.95 121.20 114.82 1xts s ILE 47 Ca 0.44 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.60 1xts s ILE 47 Cb -0.12 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 1xts s ILE 47 CO 0.21 0.00 0.12 -0.89 -1.91 0.00 0.00 174.94 172.47 1xts s THR 48 N 1.07 5.29 -0.17 4.00 2.01 -1.26 -0.58 115.64 125.99 1xts s THR 48 Ca -0.05 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1xts s THR 48 Cb -0.05 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.15 1xts s THR 48 CO -0.12 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.58 1xts s VAL 49 N -0.20 1.16 -1.35 3.82 1.01 -0.09 -4.79 120.40 119.95 1xts s VAL 49 Ca 0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1xts s VAL 49 Cb -0.12 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1xts s VAL 49 CO 0.01 0.10 0.92 0.59 0.00 0.00 0.00 175.10 176.72 1xts n ASN 50 N 4.85 -3.22 0.00 3.32 3.02 -1.26 -1.96 115.26 120.01 1xts n ASN 50 Ca -0.12 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1xts n ASN 50 Cb 0.47 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1xts n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xts n GLY 51 N -1.60 2.92 3.64 7.41 0.00 -1.26 -4.99 105.19 111.30 1xts n GLY 51 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1xts n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xts s GLN 52 N -0.19 4.14 0.36 1.61 2.00 -0.83 -5.05 119.66 121.70 1xts s GLN 52 Ca 0.00 0.45 -0.17 0.00 -2.00 0.00 0.00 55.36 53.63 1xts s GLN 52 Cb 0.00 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.11 1xts s GLN 52 CO 0.00 -0.27 0.81 -2.00 -0.50 0.00 0.00 175.29 173.33 1xts s GLU 53 N 2.04 4.10 0.12 1.67 2.12 -1.24 -0.91 118.70 126.59 1xts s GLU 53 Ca 0.24 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.47 1xts s GLU 53 Cb -0.16 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1xts s GLU 53 CO 0.09 0.10 -0.13 0.71 -0.54 0.00 0.00 175.26 175.50 1xts s TYR 54 N -2.02 1.34 -0.79 5.30 1.51 0.25 -2.75 117.35 120.18 1xts s TYR 54 Ca 0.56 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1xts s TYR 54 Cb -0.10 -0.70 0.20 0.00 -0.11 0.00 0.00 41.96 41.24 1xts s TYR 54 CO 0.16 0.12 0.64 -1.01 -1.11 0.00 0.00 175.55 174.35 1xts s HIS 55 N -2.21 3.71 -0.07 2.71 3.76 0.21 -2.47 115.29 120.94 1xts s HIS 55 Ca 0.08 -3.00 -0.30 0.00 -0.15 0.00 0.00 55.06 51.69 1xts s HIS 55 Cb -0.04 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.48 1xts s HIS 55 CO 0.02 -0.73 1.08 -1.17 -0.85 0.00 0.00 174.74 173.09 1xts s LEU 56 N -1.02 4.27 -0.38 0.89 2.96 -0.20 -2.50 118.68 122.71 1xts s LEU 56 Ca 0.24 1.66 -0.03 0.00 -0.22 0.00 0.00 54.13 55.79 1xts s LEU 56 Cb -0.11 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.12 1xts s LEU 56 CO -0.10 -0.48 0.15 -1.58 -1.32 0.00 0.00 176.35 173.01 1xts s GLN 57 N 1.95 2.14 -0.12 1.98 0.74 -0.15 -0.90 119.66 125.29 1xts s GLN 57 Ca 0.52 -1.65 -0.16 0.00 0.05 0.00 0.00 55.36 54.12 1xts s GLN 57 Cb -0.21 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 1xts s GLN 57 CO 0.21 -0.94 0.40 -0.51 -0.55 0.00 0.00 175.29 173.90 1xts s LEU 58 N 1.18 4.29 -0.45 3.68 1.43 0.23 -0.56 118.68 128.49 1xts s LEU 58 Ca 0.05 0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 53.78 1xts s LEU 58 Cb -0.22 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1xts s LEU 58 CO -0.03 0.07 0.30 -0.69 0.23 0.00 0.00 176.35 176.23 1xts s VAL 59 N 0.37 4.17 -0.84 -1.59 1.01 0.14 -1.96 120.40 121.71 1xts s VAL 59 Ca 0.22 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 1xts s VAL 59 Cb -0.15 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1xts s VAL 59 CO 0.08 -0.66 1.17 -0.62 0.00 0.00 0.00 175.10 175.07 1xts s ASP 60 N 2.40 6.39 0.75 3.32 2.15 -0.40 -1.22 116.67 130.06 1xts s ASP 60 Ca 0.05 -1.36 -0.11 0.00 0.43 0.00 0.00 52.55 51.56 1xts s ASP 60 Cb -0.25 -2.47 0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1xts s ASP 60 CO 0.00 -1.39 1.09 0.42 -0.17 0.00 0.00 175.17 175.12 1xts s THR 61 N 4.07 3.42 0.17 1.71 -4.23 -1.16 -2.46 115.64 117.16 1xts s THR 61 Ca 0.33 0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1xts s THR 61 Cb -0.08 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.40 1xts s THR 61 CO -0.00 -0.60 1.13 0.00 -0.54 0.00 0.00 174.62 174.61 1xts s ALA 62 N -3.19 3.38 0.39 3.99 0.00 -1.24 -4.86 121.76 120.24 1xts s ALA 62 Ca 0.59 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 1xts s ALA 62 Cb -0.13 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.49 1xts s ALA 62 CO 0.54 -0.27 0.68 0.41 0.00 0.00 0.00 175.76 177.11 1xts n GLY 63 N 2.19 -1.15 3.34 0.00 0.00 -1.26 -4.85 105.19 103.45 1xts n GLY 63 Ca 0.04 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1xts n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xts s GLN 64 N -1.62 1.31 0.33 1.61 -0.21 -1.01 -4.76 119.66 115.32 1xts s GLN 64 Ca 0.63 -1.53 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1xts s GLN 64 Cb -0.63 -1.19 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 1xts s GLN 64 CO 0.58 0.21 0.09 0.16 -2.12 0.00 0.00 175.29 174.21 1xts s ASP 65 N -3.12 2.21 0.66 5.90 1.47 -1.26 -3.80 116.67 118.72 1xts s ASP 65 Ca 0.20 -1.47 0.20 0.00 1.18 0.00 0.00 52.55 52.66 1xts s ASP 65 Cb -0.02 0.15 1.06 0.00 -0.34 0.00 0.00 42.92 43.76 1xts s ASP 65 CO 0.07 -0.73 1.59 1.05 0.68 0.00 0.00 175.17 177.83 1xts h GLU 66 N 2.08 0.00 0.00 2.11 9.09 -1.96 -1.62 114.58 124.28 1xts h GLU 66 Ca -0.38 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 58.66 1xts h GLU 66 Cb 1.25 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.28 1xts h GLU 66 CO 0.64 0.00 -2.37 0.66 0.05 0.00 0.00 179.01 177.99 1xts n TYR 67 N -2.83 0.00 -1.68 2.06 4.02 -1.26 -4.98 117.16 112.50 1xts n TYR 67 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 1xts n TYR 67 Cb 0.65 -0.98 0.02 0.00 -0.02 0.00 0.00 39.34 39.00 1xts n TYR 67 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xts n SER 68 N -2.78 2.13 -4.74 7.72 3.41 -0.61 -4.95 113.62 113.81 1xts n SER 68 Ca -0.33 1.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.94 1xts n SER 68 Cb 1.13 -1.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1xts n SER 68 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1xts s ILE 69 N -1.24 4.66 -0.23 -1.33 -1.16 -1.26 -4.82 121.20 115.83 1xts s ILE 69 Ca 0.63 1.80 -0.29 0.00 -0.51 0.00 0.00 60.65 62.28 1xts s ILE 69 Cb -0.51 -4.20 -0.02 0.00 0.61 0.00 0.00 42.46 38.34 1xts s ILE 69 CO 0.57 0.34 1.48 0.12 -2.81 0.00 0.00 174.94 174.63 1xts s PHE 70 N 0.03 2.36 0.15 3.50 5.99 -1.26 -4.97 117.98 123.78 1xts s PHE 70 Ca 0.42 0.67 -0.33 0.00 0.00 0.00 0.00 56.93 57.69 1xts s PHE 70 Cb -0.21 -3.91 -0.13 0.00 0.00 0.00 0.00 43.02 38.76 1xts s PHE 70 CO 0.26 -2.47 1.64 -0.35 -0.00 0.00 0.00 175.22 174.29 1xts n PRO 71 N 7.41 2.28 0.24 10.12 -0.04 -1.26 -4.96 135.00 148.81 1xts n PRO 71 Ca 0.17 0.83 0.08 0.00 -0.04 0.00 0.00 63.50 64.54 1xts n PRO 71 Cb 0.45 -2.62 0.61 0.00 -0.04 0.00 0.00 33.50 31.90 1xts n PRO 71 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1xts h GLN 72 N 6.44 0.00 0.00 0.54 4.20 -1.99 -2.60 115.11 121.70 1xts h GLN 72 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1xts h GLN 72 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1xts h GLN 72 CO 0.91 0.14 0.00 0.25 -0.67 0.00 0.00 178.83 179.46 1xts n THR 73 N -4.11 0.46 1.01 -0.54 -2.24 -1.26 -0.88 114.28 106.71 1xts n THR 73 Ca -0.02 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1xts n THR 73 Cb 0.22 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1xts n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xts n TYR 74 N -1.44 0.00 0.07 4.78 0.53 -0.99 -4.03 117.16 116.08 1xts n TYR 74 Ca 0.07 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.02 1xts n TYR 74 Cb 0.23 -0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.50 1xts n TYR 74 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1xts n SER 75 N 0.60 0.80 -4.11 7.72 2.88 -0.06 -4.86 113.62 116.59 1xts n SER 75 Ca 0.12 0.33 -0.17 0.00 -1.33 0.00 0.00 58.87 57.81 1xts n SER 75 Cb 0.53 0.42 -0.13 0.00 -0.75 0.00 0.00 64.21 64.28 1xts n SER 75 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1xts s ILE 76 N -3.20 0.90 -1.02 2.46 -0.00 -1.15 -4.62 121.20 114.57 1xts s ILE 76 Ca -0.02 -1.01 -0.05 0.00 -0.00 0.00 0.00 60.65 59.57 1xts s ILE 76 Cb 0.09 -0.86 0.01 0.00 -0.00 0.00 0.00 42.46 41.70 1xts s ILE 76 CO 0.80 -0.13 0.62 0.47 -0.00 0.00 0.00 174.94 176.70 1xts n ASP 77 N 1.75 -4.91 -4.02 4.36 9.92 -1.26 -4.90 116.55 117.49 1xts n ASP 77 Ca -0.19 -0.28 -0.28 0.00 -0.53 0.00 0.00 54.79 53.50 1xts n ASP 77 Cb 0.55 -3.64 -0.17 0.00 -0.64 0.00 0.00 41.12 37.22 1xts n ASP 77 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xts s ILE 78 N -3.10 1.37 -0.39 0.53 1.01 -1.26 -4.86 121.20 114.50 1xts s ILE 78 Ca 0.31 -0.55 0.24 0.00 0.00 0.00 0.00 60.65 60.64 1xts s ILE 78 Cb -0.13 -1.28 0.34 0.00 0.01 0.00 0.00 42.46 41.40 1xts s ILE 78 CO 0.38 0.42 1.64 0.78 0.00 0.00 0.00 174.94 178.16 1xts h ASN 79 N 7.57 0.00 -4.46 3.58 2.35 -1.29 -3.47 115.58 119.87 1xts h ASN 79 Ca -0.32 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1xts h ASN 79 Cb 1.16 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.33 1xts h ASN 79 CO 0.48 0.00 0.24 -0.83 -1.65 0.00 0.00 177.43 175.67 1xts s GLY 80 N -4.21 -0.50 -0.05 2.83 0.00 -1.04 -4.41 107.32 99.95 1xts s GLY 80 Ca 0.06 1.72 0.05 0.00 0.00 0.00 0.00 44.72 46.55 1xts s GLY 80 CO 0.66 1.27 -0.20 -0.19 0.00 0.00 0.00 173.10 174.64 1xts s TYR 81 N -0.61 2.56 -0.31 1.90 1.51 -0.88 -1.21 117.35 120.31 1xts s TYR 81 Ca -0.06 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1xts s TYR 81 Cb -0.02 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1xts s TYR 81 CO 0.05 0.01 0.01 0.42 -1.11 0.00 0.00 175.55 174.92 1xts s ILE 82 N -0.48 2.97 -0.45 2.71 1.01 -0.24 -1.95 121.20 124.77 1xts s ILE 82 Ca 0.06 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.11 1xts s ILE 82 Cb -0.12 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.67 1xts s ILE 82 CO 0.01 -0.14 0.39 -0.76 0.00 0.00 0.00 174.94 174.44 1xts s LEU 83 N 1.24 5.36 0.07 2.97 1.43 0.30 -0.89 118.68 129.15 1xts s LEU 83 Ca -0.04 -1.11 0.05 0.00 -1.03 0.00 0.00 54.13 52.00 1xts s LEU 83 Cb -0.20 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1xts s LEU 83 CO -0.01 -0.60 -0.05 0.54 0.23 0.00 0.00 176.35 176.46 1xts s VAL 84 N 1.76 3.70 0.20 -1.59 0.11 -0.68 -1.00 120.40 122.90 1xts s VAL 84 Ca 0.06 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1xts s VAL 84 Cb -0.22 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1xts s VAL 84 CO 0.09 0.20 0.11 -0.72 -3.33 0.00 0.00 175.10 171.44 1xts s TYR 85 N -1.19 1.17 -0.18 1.54 -0.85 -0.21 -4.13 117.35 113.50 1xts s TYR 85 Ca 0.22 -1.33 -0.05 0.00 -0.52 0.00 0.00 57.07 55.39 1xts s TYR 85 Cb -0.11 -0.59 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 1xts s TYR 85 CO 0.14 -0.58 0.00 0.45 -1.52 0.00 0.00 175.55 174.04 1xts s SER 86 N -3.16 5.05 0.00 -0.18 0.15 -1.26 0.11 113.70 114.40 1xts s SER 86 Ca 0.37 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 57.01 1xts s SER 86 Cb 0.07 -1.85 0.53 0.00 -1.71 0.00 0.00 66.02 63.06 1xts s SER 86 CO 0.11 0.14 1.02 1.33 1.20 0.00 0.00 173.24 177.03 1xts n VAL 87 N 3.75 0.00 0.18 4.45 0.24 -0.57 -1.18 118.33 125.19 1xts n VAL 87 Ca -0.17 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.19 1xts n VAL 87 Cb 0.52 -0.46 0.10 0.00 -1.47 0.00 0.00 33.84 32.53 1xts n VAL 87 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xts n THR 88 N -0.74 0.46 -3.74 3.34 -2.24 -1.26 0.10 114.28 110.20 1xts n THR 88 Ca 0.07 -0.73 -0.26 0.00 -2.27 0.00 0.00 64.05 60.86 1xts n THR 88 Cb 0.03 0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1xts n THR 88 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xts s SER 89 N -0.97 2.43 0.52 3.42 0.15 -0.33 -4.72 113.70 114.20 1xts s SER 89 Ca 0.18 -0.57 0.30 0.00 0.70 0.00 0.00 55.95 56.56 1xts s SER 89 Cb 0.11 -0.52 1.33 0.00 -1.71 0.00 0.00 66.02 65.23 1xts s SER 89 CO 0.15 -0.27 1.99 0.40 1.20 0.00 0.00 173.24 176.71 1xts h ILE 90 N 6.44 0.34 -0.08 6.45 1.08 -1.91 -3.02 117.51 126.81 1xts h ILE 90 Ca -0.17 -0.68 -0.15 0.00 -0.39 0.00 0.00 64.86 63.46 1xts h ILE 90 Cb 1.12 1.51 0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1xts h ILE 90 CO 0.31 0.11 -0.54 0.50 -0.69 0.00 0.00 178.15 177.84 1xts h LYS 91 N 0.00 0.51 -0.77 2.37 1.63 -1.93 -2.64 116.57 115.74 1xts h LYS 91 Ca -0.00 -0.44 0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1xts h LYS 91 Cb 0.50 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.19 1xts h LYS 91 CO 0.01 1.07 0.50 0.66 -3.45 0.00 0.00 179.45 178.25 1xts h SER 92 N 0.09 0.88 -0.45 4.20 4.64 -1.83 -0.39 113.55 120.68 1xts h SER 92 Ca -0.04 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1xts h SER 92 Cb 1.20 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1xts h SER 92 CO 0.11 0.65 0.08 0.15 -0.87 0.00 0.00 176.83 176.94 1xts h PHE 93 N 1.04 0.80 -0.24 4.77 3.57 -1.56 -0.26 116.94 125.06 1xts h PHE 93 Ca 0.28 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1xts h PHE 93 Cb -0.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1xts h PHE 93 CO 0.00 0.75 0.06 0.93 -2.23 0.00 0.00 178.31 177.82 1xts h GLU 94 N 0.61 0.39 -0.68 1.11 5.08 -1.02 -3.04 114.58 117.03 1xts h GLU 94 Ca 0.14 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xts h GLU 94 Cb 0.38 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1xts h GLU 94 CO 0.01 0.49 0.32 0.28 -1.00 0.00 0.00 179.01 179.11 1xts h VAL 95 N 0.22 1.22 -0.72 3.13 2.07 -0.98 -2.52 116.25 118.67 1xts h VAL 95 Ca 0.08 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1xts h VAL 95 Cb 0.27 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1xts h VAL 95 CO 0.00 0.26 0.43 -0.29 0.02 0.00 0.00 177.57 178.00 1xts h ILE 96 N 0.97 1.20 -0.79 4.57 6.09 -0.94 -0.88 117.51 127.74 1xts h ILE 96 Ca 0.24 -0.44 0.01 0.00 -1.37 0.00 0.00 64.86 63.29 1xts h ILE 96 Cb 0.11 0.19 -0.04 0.00 0.47 0.00 0.00 36.82 37.54 1xts h ILE 96 CO -0.03 0.21 0.51 0.11 -3.07 0.00 0.00 178.15 175.88 1xts h LYS 97 N 0.99 1.04 0.06 2.19 1.57 -1.35 0.18 116.57 121.25 1xts h LYS 97 Ca 0.26 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1xts h LYS 97 Cb -0.04 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1xts h LYS 97 CO -0.05 0.70 -0.03 0.28 -0.57 0.00 0.00 179.45 179.78 1xts h VAL 98 N 1.07 1.23 -0.52 0.50 2.07 -1.19 -2.71 116.25 116.69 1xts h VAL 98 Ca 0.29 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1xts h VAL 98 Cb -0.11 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1xts h VAL 98 CO -0.06 0.25 0.35 0.40 0.02 0.00 0.00 177.57 178.53 1xts h ILE 99 N -0.54 0.99 -0.36 4.57 2.04 -0.95 -0.97 117.51 122.29 1xts h ILE 99 Ca -0.01 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1xts h ILE 99 Cb 0.47 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1xts h ILE 99 CO 0.01 0.09 0.07 -0.74 0.00 0.00 0.00 178.15 177.58 1xts h HIS 100 N 0.49 0.63 -0.13 1.37 2.76 -0.90 -0.30 115.15 119.06 1xts h HIS 100 Ca 0.22 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1xts h HIS 100 Cb 0.27 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1xts h HIS 100 CO -0.00 0.64 0.04 0.78 -1.30 0.00 0.00 177.93 178.09 1xts h GLY 101 N 0.44 0.22 0.71 5.26 0.00 -0.99 -1.47 103.07 107.23 1xts h GLY 101 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1xts h GLY 101 CO 0.00 0.12 0.21 0.50 0.00 0.00 0.00 176.54 177.38 1xts h LYS 102 N 0.03 0.41 -0.09 4.80 1.57 -1.14 -1.50 116.57 120.66 1xts h LYS 102 Ca 0.04 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xts h LYS 102 Cb 0.21 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1xts h LYS 102 CO -0.00 0.27 -0.22 1.25 -0.57 0.00 0.00 179.45 180.18 1xts h LEU 103 N 0.42 -0.67 -1.13 2.94 5.85 -0.84 -2.12 115.31 119.77 1xts h LEU 103 Ca 0.21 0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1xts h LEU 103 Cb 0.14 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1xts h LEU 103 CO -0.16 -0.28 0.60 -0.07 -0.34 0.00 0.00 178.44 178.19 1xts h LEU 104 N -0.30 0.92 0.54 2.25 3.38 -0.82 -1.88 115.31 119.40 1xts h LEU 104 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xts h LEU 104 Cb 0.43 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xts h LEU 104 CO -0.26 0.58 -0.31 0.44 0.09 0.00 0.00 178.44 178.98 1xts h ASP 105 N 1.04 -0.77 -0.80 -0.43 3.32 -0.63 -3.03 116.42 115.13 1xts h ASP 105 Ca 0.40 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.59 1xts h ASP 105 Cb 0.22 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 1xts h ASP 105 CO -0.16 -0.49 0.43 0.24 -1.72 0.00 0.00 179.24 177.55 1xts h MET 106 N -0.78 0.68 0.00 3.56 2.86 -1.35 -1.03 114.93 118.87 1xts h MET 106 Ca -0.07 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1xts h MET 106 Cb 0.62 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1xts h MET 106 CO 0.09 0.45 0.00 1.55 1.06 0.00 0.00 176.91 180.06 1xts n VAL 107 N -4.80 0.55 -3.92 -2.22 3.14 -0.71 -4.95 118.33 105.42 1xts n VAL 107 Ca 0.14 0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 1xts n VAL 107 Cb 0.31 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1xts n VAL 107 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xts n GLY 108 N -0.49 -0.00 2.63 7.55 0.00 -0.39 -3.53 105.19 110.95 1xts n GLY 108 Ca 0.05 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1xts n GLY 108 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xts n LYS 109 N -0.85 2.73 -4.91 1.61 2.85 -1.26 -4.88 118.16 113.45 1xts n LYS 109 Ca 0.00 -2.08 -0.26 0.00 -1.05 0.00 0.00 58.31 54.92 1xts n LYS 109 Cb 0.00 -2.87 -0.15 0.00 -0.65 0.00 0.00 35.03 31.35 1xts n LYS 109 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1xts s VAL 110 N 3.21 1.53 -1.14 0.58 1.01 -1.23 -5.05 120.40 119.31 1xts s VAL 110 Ca 0.55 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1xts s VAL 110 Cb 0.15 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1xts s VAL 110 CO -0.03 0.41 1.78 -1.10 0.00 0.00 0.00 175.10 176.15 1xts s GLN 111 N -0.52 3.21 -0.18 2.72 -1.52 -1.26 -4.93 119.66 117.18 1xts s GLN 111 Ca 0.07 -1.27 -0.04 0.00 -1.95 0.00 0.00 55.36 52.17 1xts s GLN 111 Cb -0.08 -5.33 -0.02 0.00 -0.22 0.00 0.00 33.01 27.36 1xts s GLN 111 CO -0.01 -2.97 -0.03 -1.50 -0.25 0.00 0.00 175.29 170.54 1xts s ILE 112 N 7.46 3.82 -0.23 1.08 1.10 -1.26 -5.01 121.20 128.16 1xts s ILE 112 Ca 0.60 -0.37 -0.29 0.00 -0.51 0.00 0.00 60.65 60.08 1xts s ILE 112 Cb -0.00 -2.70 -0.01 0.00 0.15 0.00 0.00 42.46 39.90 1xts s ILE 112 CO 0.04 0.46 1.31 -2.16 -2.11 0.00 0.00 174.94 172.49 1xts s PRO 113 N 0.73 4.06 -0.04 3.50 0.04 -1.26 -5.00 135.00 137.02 1xts s PRO 113 Ca -0.01 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1xts s PRO 113 Cb -0.14 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1xts s PRO 113 CO 0.02 -0.94 0.06 0.42 0.04 0.00 0.00 177.00 176.60 1xts s ILE 114 N 4.03 4.66 -0.03 0.56 -1.09 -1.26 -2.07 121.20 126.00 1xts s ILE 114 Ca 0.57 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1xts s ILE 114 Cb -0.20 -3.07 0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1xts s ILE 114 CO 0.20 0.46 0.00 -0.32 -1.23 0.00 0.00 174.94 174.05 1xts s MET 115 N -1.39 0.30 -0.15 2.79 -2.45 -0.82 -3.80 119.30 113.77 1xts s MET 115 Ca 0.19 0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.61 1xts s MET 115 Cb -0.12 -0.51 -0.05 0.00 1.25 0.00 0.00 34.83 35.41 1xts s MET 115 CO 0.09 -0.15 0.21 -1.17 1.05 0.00 0.00 175.02 175.05 1xts s LEU 116 N 1.13 4.28 -0.04 4.11 2.96 -0.74 -0.54 118.68 129.85 1xts s LEU 116 Ca -0.08 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1xts s LEU 116 Cb -0.13 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1xts s LEU 116 CO -0.02 0.22 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.39 1xts s VAL 117 N -0.04 1.21 -0.32 1.68 1.01 -0.17 -2.28 120.40 121.49 1xts s VAL 117 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1xts s VAL 117 Cb -0.12 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1xts s VAL 117 CO 0.03 0.35 0.13 -0.83 0.00 0.00 0.00 175.10 174.78 1xts s GLY 118 N 0.06 1.84 0.53 4.51 0.00 -0.02 -1.05 107.32 113.20 1xts s GLY 118 Ca -0.03 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.19 1xts s GLY 118 CO 0.01 0.72 0.74 0.21 0.00 0.00 0.00 173.10 174.78 1xts s ASN 119 N 1.52 5.28 -0.89 1.64 3.04 0.30 -0.13 114.94 125.70 1xts s ASN 119 Ca 0.02 -0.24 -0.05 0.00 0.04 0.00 0.00 52.86 52.64 1xts s ASN 119 Cb -0.18 -0.63 0.01 0.00 -1.54 0.00 0.00 41.25 38.91 1xts s ASN 119 CO 0.04 -1.12 0.77 0.29 -3.04 0.00 0.00 177.10 174.05 1xts n LYS 120 N -2.24 -5.18 0.18 0.43 5.02 -0.79 -1.51 118.16 114.08 1xts n LYS 120 Ca 0.09 0.55 0.06 0.00 -2.02 0.00 0.00 58.31 56.99 1xts n LYS 120 Cb 0.60 -4.75 0.52 0.00 -0.02 0.00 0.00 35.03 31.38 1xts n LYS 120 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1xts h LYS 121 N -1.72 0.13 -0.26 1.97 3.64 -1.57 -2.90 116.57 115.86 1xts h LYS 121 Ca -0.38 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.85 1xts h LYS 121 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1xts h LYS 121 CO 0.37 0.17 -0.40 0.38 -2.27 0.00 0.00 179.45 177.70 1xts h ASP 122 N 0.13 0.65 0.00 4.20 3.04 -1.91 -3.37 116.42 119.15 1xts h ASP 122 Ca 0.03 -0.29 -0.63 0.00 -3.24 0.00 0.00 57.03 52.91 1xts h ASP 122 Cb 0.15 -0.18 0.07 0.00 -1.04 0.00 0.00 39.33 38.32 1xts h ASP 122 CO 0.01 0.98 2.10 0.18 -2.04 0.00 0.00 179.24 180.46 1xts n LEU 123 N -4.03 3.42 -0.04 0.15 4.77 -1.10 -4.70 117.00 115.47 1xts n LEU 123 Ca -0.02 -2.58 -0.08 0.00 -0.03 0.00 0.00 56.01 53.30 1xts n LEU 123 Cb 0.52 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1xts n LEU 123 CO 0.45 -0.69 0.81 0.45 -1.33 0.00 0.00 177.39 177.09 1xts h HIS 124 N 8.30 -0.16 -0.65 -1.77 3.86 -1.85 -2.83 115.15 120.06 1xts h HIS 124 Ca 0.39 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.76 1xts h HIS 124 Cb 0.66 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 1xts h HIS 124 CO 1.22 -0.12 0.45 0.52 0.86 0.00 0.00 177.93 180.86 1xts h MET 125 N -0.03 0.26 -0.35 2.45 2.86 -1.97 -2.59 114.93 115.56 1xts h MET 125 Ca 0.11 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1xts h MET 125 Cb 0.19 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1xts h MET 125 CO -0.23 0.17 0.02 -0.85 1.06 0.00 0.00 176.91 177.07 1xts n GLU 126 N -4.44 2.56 -2.25 1.72 0.28 -1.08 -4.99 120.64 112.44 1xts n GLU 126 Ca 0.12 -2.98 -0.42 0.00 -0.16 0.00 0.00 57.16 53.72 1xts n GLU 126 Cb 0.54 -1.87 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1xts n GLU 126 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1xts s ARG 127 N -3.01 4.35 0.00 3.44 3.52 -0.98 -4.19 118.95 122.08 1xts s ARG 127 Ca 0.44 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1xts s ARG 127 Cb 0.38 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1xts s ARG 127 CO 0.06 -0.40 0.12 0.28 -0.81 0.00 0.00 175.30 174.55 1xts n VAL 128 N 4.01 0.00 -4.98 7.11 0.31 0.28 -4.95 118.33 120.11 1xts n VAL 128 Ca 0.11 -0.45 -0.27 0.00 -0.01 0.00 0.00 64.34 63.72 1xts n VAL 128 Cb 0.44 1.03 -0.16 0.00 -0.91 0.00 0.00 33.84 34.24 1xts n VAL 128 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1xts s ILE 129 N -0.65 1.60 0.76 2.52 1.01 -1.12 -4.93 121.20 120.38 1xts s ILE 129 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 1xts s ILE 129 Cb 0.00 -1.34 0.08 0.00 0.01 0.00 0.00 42.46 41.20 1xts s ILE 129 CO 0.00 0.45 1.09 -0.94 0.00 0.00 0.00 174.94 175.54 1xts s SER 130 N -0.29 4.62 0.01 3.58 1.04 -1.26 -4.93 113.70 116.47 1xts s SER 130 Ca 0.03 0.56 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1xts s SER 130 Cb -0.10 -1.12 -0.17 0.00 0.10 0.00 0.00 66.02 64.73 1xts s SER 130 CO 0.01 -1.77 1.26 0.22 0.98 0.00 0.00 173.24 173.94 1xts h TYR 131 N -0.82 0.33 -0.25 5.02 3.20 -2.00 -3.21 116.97 119.24 1xts h TYR 131 Ca -0.45 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.38 1xts h TYR 131 Cb 1.32 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1xts h TYR 131 CO 0.26 0.75 0.21 0.93 -1.64 0.00 0.00 178.16 178.67 1xts h GLU 132 N -0.19 0.00 0.07 1.82 3.07 -1.99 -0.92 114.58 116.44 1xts h GLU 132 Ca 0.01 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 1xts h GLU 132 Cb 0.73 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1xts h GLU 132 CO 0.04 0.00 -1.12 1.49 -1.40 0.00 0.00 179.01 178.01 1xts h GLU 133 N 0.00 0.47 -0.19 2.33 4.81 -1.95 -2.03 114.58 118.02 1xts h GLU 133 Ca 0.12 -0.60 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 1xts h GLU 133 Cb 0.54 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1xts h GLU 133 CO -0.00 1.24 -0.53 0.78 -0.73 0.00 0.00 179.01 179.76 1xts h GLY 134 N 0.95 0.59 0.84 1.92 0.00 -1.35 -2.85 103.07 103.17 1xts h GLY 134 Ca -0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 1xts h GLY 134 CO 0.20 0.61 -0.16 1.70 0.00 0.00 0.00 176.54 178.89 1xts h LYS 135 N 0.42 -0.44 -0.65 4.80 1.63 -1.21 -1.73 116.57 119.39 1xts h LYS 135 Ca 0.01 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.97 1xts h LYS 135 Cb 1.07 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.68 1xts h LYS 135 CO 0.10 -0.19 -0.20 0.00 -3.45 0.00 0.00 179.45 175.70 1xts h ALA 136 N -0.02 0.34 0.25 5.00 0.00 -1.35 0.22 119.26 123.70 1xts h ALA 136 Ca -0.05 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xts h ALA 136 Cb 0.45 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xts h ALA 136 CO 0.08 -0.48 -0.31 1.25 0.00 0.00 0.00 179.25 179.79 1xts h LEU 137 N -0.04 -0.87 -1.93 0.00 5.85 -1.37 0.11 115.31 117.07 1xts h LEU 137 Ca 0.30 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.29 1xts h LEU 137 Cb 0.50 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1xts h LEU 137 CO -0.68 -0.43 0.48 0.00 -0.34 0.00 0.00 178.44 177.47 1xts h ALA 138 N -0.04 2.54 0.00 1.25 0.00 -0.21 0.41 119.26 123.23 1xts h ALA 138 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1xts h ALA 138 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xts h ALA 138 CO -0.10 -0.74 -0.90 0.93 0.00 0.00 0.00 179.25 178.44 1xts h GLU 139 N 0.07 0.00 0.00 0.00 5.08 0.85 0.30 114.58 120.88 1xts h GLU 139 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1xts h GLU 139 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xts h GLU 139 CO -0.02 0.90 -0.11 0.66 -1.00 0.00 0.00 179.01 179.44 1xts h SER 140 N 0.00 0.00 0.01 1.42 4.64 0.23 -2.29 113.55 117.55 1xts h SER 140 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xts h SER 140 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1xts h SER 140 CO 0.12 0.11 -0.86 0.79 -0.87 0.00 0.00 176.83 176.12 1xts n TRP 141 N -3.31 0.00 -3.37 4.77 8.01 -0.70 -4.96 117.44 117.88 1xts n TRP 141 Ca -0.00 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.00 1xts n TRP 141 Cb 0.33 -0.01 0.07 0.00 -2.01 0.00 0.00 31.31 29.69 1xts n TRP 141 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1xts n ASN 142 N -1.13 -5.08 -4.38 -0.99 4.13 -0.45 -5.00 115.26 102.36 1xts n ASN 142 Ca 0.05 -0.46 -0.31 0.00 1.68 0.00 0.00 54.58 55.55 1xts n ASN 142 Cb 0.36 -4.26 -0.14 0.00 -1.54 0.00 0.00 39.78 34.20 1xts n ASN 142 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xts s ALA 143 N -3.27 2.36 0.16 5.41 0.00 0.93 -4.92 121.76 122.44 1xts s ALA 143 Ca 0.41 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1xts s ALA 143 Cb -0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 23.12 22.25 1xts s ALA 143 CO 0.60 0.55 1.53 0.00 0.00 0.00 0.00 175.76 178.44 1xts s ALA 144 N -0.81 3.74 0.11 0.00 0.00 -1.25 -4.42 121.76 119.14 1xts s ALA 144 Ca 0.12 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1xts s ALA 144 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1xts s ALA 144 CO 0.02 -0.75 -0.04 0.12 0.00 0.00 0.00 175.76 175.11 1xts s PHE 145 N 1.04 2.85 0.03 0.00 5.36 -1.26 -1.79 117.98 124.21 1xts s PHE 145 Ca 0.68 -0.10 -0.28 0.00 -0.96 0.00 0.00 56.93 56.27 1xts s PHE 145 Cb -0.43 -1.46 0.08 0.00 -0.34 0.00 0.00 43.02 40.87 1xts s PHE 145 CO 0.32 0.47 0.70 -0.51 -1.46 0.00 0.00 175.22 174.74 1xts s LEU 146 N -2.39 -0.56 0.25 6.12 1.43 -0.97 -5.00 118.68 117.56 1xts s LEU 146 Ca 0.24 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1xts s LEU 146 Cb -0.11 2.44 -0.04 0.00 0.03 0.00 0.00 46.19 48.50 1xts s LEU 146 CO 0.16 -0.73 -0.08 -1.61 0.23 0.00 0.00 176.35 174.33 1xts s GLU 147 N -2.40 2.07 0.28 1.70 2.02 -1.26 -0.84 118.70 120.27 1xts s GLU 147 Ca -0.04 -1.49 -0.19 0.00 0.02 0.00 0.00 54.97 53.27 1xts s GLU 147 Cb -0.01 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1xts s GLU 147 CO -0.02 0.37 0.69 -1.54 0.02 0.00 0.00 175.26 174.78 1xts s SER 148 N -3.45 -0.22 -0.05 -0.19 1.04 0.81 -4.85 113.70 106.79 1xts s SER 148 Ca 0.30 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1xts s SER 148 Cb -0.07 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1xts s SER 148 CO 0.17 -1.33 0.01 -0.55 0.98 0.00 0.00 173.24 172.52 1xts s SER 149 N -2.94 1.18 0.17 7.02 0.15 -1.26 -1.70 113.70 116.32 1xts s SER 149 Ca 0.13 -0.04 0.12 0.00 0.70 0.00 0.00 55.95 56.86 1xts s SER 149 Cb -0.05 -0.33 0.63 0.00 -1.71 0.00 0.00 66.02 64.57 1xts s SER 149 CO 0.08 -0.17 1.36 0.00 1.20 0.00 0.00 173.24 175.70 1xts n ALA 150 N 4.87 1.03 0.04 5.45 0.00 -1.26 -0.19 120.51 130.45 1xts n ALA 150 Ca -0.12 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1xts n ALA 150 Cb 0.50 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1xts n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xts n LYS 151 N -1.91 0.63 -3.27 0.00 5.02 -1.26 -4.53 118.16 112.84 1xts n LYS 151 Ca -0.01 0.03 -0.45 0.00 -2.02 0.00 0.00 58.31 55.86 1xts n LYS 151 Cb 0.02 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1xts n LYS 151 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xts n GLU 152 N -2.58 3.54 -0.27 1.97 1.02 0.73 -4.91 120.64 120.13 1xts n GLU 152 Ca -0.05 -4.36 0.17 0.00 -0.02 0.00 0.00 57.16 52.90 1xts n GLU 152 Cb 0.64 -2.63 0.33 0.00 -0.02 0.00 0.00 31.44 29.76 1xts n GLU 152 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xts n ASN 153 N 3.12 0.05 -0.19 1.62 2.85 -1.26 -0.14 115.26 121.30 1xts n ASN 153 Ca 0.26 1.36 -0.03 0.00 -0.11 0.00 0.00 54.58 56.06 1xts n ASN 153 Cb 0.39 -0.56 0.08 0.00 1.24 0.00 0.00 39.78 40.93 1xts n ASN 153 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xts h GLN 154 N 0.00 0.54 0.00 1.20 5.75 -1.91 -0.63 115.11 120.06 1xts h GLN 154 Ca 0.57 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 59.00 1xts h GLN 154 Cb 1.32 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1xts h GLN 154 CO -0.71 0.36 -0.16 1.79 -2.65 0.00 0.00 178.83 177.46 1xts h THR 155 N 0.56 0.71 -0.03 2.39 1.35 -0.84 -1.99 112.91 115.06 1xts h THR 155 Ca 0.26 -0.66 -0.25 0.00 -0.55 0.00 0.00 66.41 65.20 1xts h THR 155 Cb 0.18 1.41 0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1xts h THR 155 CO -0.19 0.16 -0.98 0.00 -0.25 0.00 0.00 175.52 174.27 1xts h ALA 156 N 1.84 0.16 -0.54 6.62 0.00 -0.98 -3.01 119.26 123.35 1xts h ALA 156 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1xts h ALA 156 Cb 0.40 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xts h ALA 156 CO 0.02 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.24 1xts h VAL 157 N 0.41 1.25 -0.07 0.00 2.07 -0.73 -2.77 116.25 116.41 1xts h VAL 157 Ca -0.11 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1xts h VAL 157 Cb 1.63 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1xts h VAL 157 CO 0.19 0.37 -0.22 0.44 0.02 0.00 0.00 177.57 178.38 1xts h ASP 158 N 0.84 0.11 -0.17 0.57 3.32 -1.41 -0.67 116.42 119.01 1xts h ASP 158 Ca 0.16 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1xts h ASP 158 Cb 0.47 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1xts h ASP 158 CO 0.02 0.34 0.09 0.58 -1.72 0.00 0.00 179.24 178.55 1xts h VAL 159 N 0.11 1.12 0.00 -1.35 2.07 -1.35 0.30 116.25 117.16 1xts h VAL 159 Ca 0.02 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1xts h VAL 159 Cb 0.46 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1xts h VAL 159 CO 0.03 0.11 -0.51 -0.26 0.02 0.00 0.00 177.57 176.96 1xts h PHE 160 N 0.16 0.00 -0.34 1.57 -1.00 -1.53 -2.66 116.94 113.13 1xts h PHE 160 Ca 0.06 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.69 1xts h PHE 160 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1xts h PHE 160 CO -0.03 0.51 -0.39 0.00 -1.61 0.00 0.00 178.31 176.80 1xts h ARG 161 N 0.00 0.83 -0.51 1.51 3.08 -0.84 -2.99 114.38 115.45 1xts h ARG 161 Ca -0.01 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.50 1xts h ARG 161 Cb 1.15 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1xts h ARG 161 CO 0.07 1.06 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.81 1xts h ARG 162 N 0.68 0.97 -0.65 0.04 9.65 -0.81 -2.10 114.38 122.16 1xts h ARG 162 Ca 0.06 -0.36 -0.03 0.00 -1.10 0.00 0.00 59.98 58.54 1xts h ARG 162 Cb 0.95 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 1xts h ARG 162 CO 0.09 1.04 0.27 0.97 2.80 0.00 0.00 179.97 185.13 1xts h ILE 163 N 0.86 1.22 -0.09 1.20 6.09 -1.45 0.55 117.51 125.90 1xts h ILE 163 Ca 0.13 -0.70 -0.01 0.00 -1.37 0.00 0.00 64.86 62.92 1xts h ILE 163 Cb 0.69 0.44 -0.00 0.00 0.47 0.00 0.00 36.82 38.41 1xts h ILE 163 CO 0.05 0.28 0.03 0.40 -3.07 0.00 0.00 178.15 175.84 1xts h ILE 164 N 0.93 1.17 -0.61 2.19 5.03 -1.37 -0.07 117.51 124.80 1xts h ILE 164 Ca 0.22 -0.52 0.11 0.00 -0.12 0.00 0.00 64.86 64.55 1xts h ILE 164 Cb 0.17 1.35 -0.08 0.00 -3.03 0.00 0.00 36.82 35.23 1xts h ILE 164 CO -0.02 0.15 0.17 -0.07 -0.68 0.00 0.00 178.15 177.70 1xts h LEU 165 N -0.04 0.09 -1.24 1.44 3.38 -0.77 0.22 115.31 118.39 1xts h LEU 165 Ca 0.03 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xts h LEU 165 Cb 0.21 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xts h LEU 165 CO -0.00 0.05 -0.25 -0.33 0.09 0.00 0.00 178.44 178.00 1xts h GLU 166 N 0.31 0.00 0.40 1.13 3.07 -0.70 -2.78 114.58 116.00 1xts h GLU 166 Ca 0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 1xts h GLU 166 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xts h GLU 166 CO -0.37 0.25 -0.19 0.00 -1.40 0.00 0.00 179.01 177.30 1xts h ALA 167 N 1.75 -0.70 -0.93 3.43 0.00 0.13 -3.13 119.26 119.80 1xts h ALA 167 Ca -0.00 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.06 1xts h ALA 167 Cb 0.70 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xts h ALA 167 CO 0.03 -0.66 0.73 0.93 0.00 0.00 0.00 179.25 180.28 1xts h GLU 168 N -0.84 0.00 0.00 0.00 4.39 -1.09 -1.34 114.58 115.71 1xts h GLU 168 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1xts h GLU 168 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1xts h GLU 168 CO 0.09 0.00 -0.00 0.87 -1.16 0.00 0.00 179.01 178.81 1xts h LYS 169 N 0.00 -0.01 -0.53 2.33 1.57 -1.44 -1.98 116.57 116.52 1xts h LYS 169 Ca 0.44 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1xts h LYS 169 Cb 1.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1xts h LYS 169 CO -0.00 0.13 0.05 -0.07 -0.57 0.00 0.00 179.45 178.98 1xts h LEU 170 N -0.14 0.88 -0.99 2.94 3.38 -1.25 -2.66 115.31 117.47 1xts h LEU 170 Ca -0.00 -0.28 0.19 0.00 0.09 0.00 0.00 57.88 57.87 1xts h LEU 170 Cb 0.14 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 1xts h LEU 170 CO 0.00 0.94 0.59 -0.33 0.09 0.00 0.00 178.44 179.73 1xts h GLU 171 N 0.78 0.72 -0.03 1.13 5.08 -1.37 -3.53 114.58 117.37 1xts h GLU 171 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xts h GLU 171 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xts h GLU 171 CO 0.02 0.48 0.00 0.72 -1.00 0.00 0.00 179.01 179.22