#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2boa s GLU 5 N 0.00 4.20 0.04 -0.14 2.56 -0.14 -5.00 118.70 120.22 2boa s GLU 5 Ca 0.00 2.32 0.03 0.00 0.00 0.00 0.00 54.97 57.32 2boa s GLU 5 Cb 0.00 -3.53 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 2boa s GLU 5 CO 0.00 -0.71 0.02 0.15 -0.56 0.00 0.00 175.26 174.16 2boa s LYS 6 N 2.40 2.73 -0.39 4.30 -0.14 -1.26 -4.85 119.74 122.54 2boa s LYS 6 Ca 0.73 -0.69 0.09 0.00 -1.36 0.00 0.00 55.97 54.73 2boa s LYS 6 Cb -0.40 -2.64 0.44 0.00 -1.68 0.00 0.00 37.83 33.54 2boa s LYS 6 CO 0.32 0.59 1.08 1.19 -0.76 0.00 0.00 175.35 177.77 2boa n PHE 7 N 0.96 2.75 -2.17 3.18 3.72 -1.26 -5.05 117.46 119.58 2boa n PHE 7 Ca -0.12 -2.93 -0.42 0.00 -0.05 0.00 0.00 57.45 53.92 2boa n PHE 7 Cb 0.52 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2boa n PHE 7 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2boa s PHE 8 N -3.45 2.51 0.00 1.38 0.40 -1.26 -2.55 117.98 115.01 2boa s PHE 8 Ca 0.43 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 2boa s PHE 8 Cb 0.41 -3.73 0.00 0.00 0.51 0.00 0.00 43.02 40.21 2boa s PHE 8 CO -0.11 -2.86 0.00 0.41 0.70 0.00 0.00 175.22 173.36 2boa n GLY 9 N 3.83 2.17 3.76 4.36 0.00 -1.26 -4.38 105.19 113.67 2boa n GLY 9 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2boa n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2boa s ASP 10 N -3.58 6.60 -0.01 1.61 1.11 -1.06 -3.91 116.67 117.43 2boa s ASP 10 Ca 0.00 2.76 0.06 0.00 0.18 0.00 0.00 52.55 55.55 2boa s ASP 10 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 2boa s ASP 10 CO 0.00 -0.72 -0.18 -1.10 1.18 0.00 0.00 175.17 174.35 2boa s GLN 11 N -0.93 1.42 -0.17 8.23 -0.21 -0.46 -2.08 119.66 125.46 2boa s GLN 11 Ca 0.57 -0.67 -0.21 0.00 0.02 0.00 0.00 55.36 55.07 2boa s GLN 11 Cb -0.43 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 2boa s GLN 11 CO 0.49 0.38 0.63 0.08 -2.12 0.00 0.00 175.29 174.74 2boa s VAL 12 N -0.47 5.04 -0.07 1.09 1.01 -0.91 0.10 120.40 126.19 2boa s VAL 12 Ca 0.07 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.28 2boa s VAL 12 Cb -0.07 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2boa s VAL 12 CO -0.00 0.15 -0.12 -0.76 0.00 0.00 0.00 175.10 174.37 2boa s LEU 13 N 1.61 2.84 -0.21 3.92 1.43 -0.40 -1.14 118.68 126.72 2boa s LEU 13 Ca 0.30 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2boa s LEU 13 Cb -0.16 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2boa s LEU 13 CO 0.12 0.31 0.04 -0.60 0.23 0.00 0.00 176.35 176.44 2boa s ARG 14 N -0.48 3.70 -0.11 1.70 3.52 -0.05 -1.19 118.95 126.05 2boa s ARG 14 Ca 0.06 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2boa s ARG 14 Cb -0.12 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 2boa s ARG 14 CO 0.02 -0.01 -0.22 0.42 -0.81 0.00 0.00 175.30 174.70 2boa s ILE 15 N 1.10 1.94 0.14 4.11 1.09 0.82 -1.78 121.20 128.62 2boa s ILE 15 Ca 0.03 -0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 58.35 2boa s ILE 15 Cb -0.14 -1.69 -0.07 0.00 -1.06 0.00 0.00 42.46 39.50 2boa s ILE 15 CO 0.02 0.53 0.97 0.20 -0.10 0.00 0.00 174.94 176.56 2boa s ASN 16 N 0.50 7.51 -0.01 3.58 0.01 -1.01 -1.56 114.94 123.97 2boa s ASN 16 Ca -0.15 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 2boa s ASN 16 Cb -0.17 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 38.91 2boa s ASN 16 CO 0.06 -0.03 -0.00 0.54 -1.51 0.00 0.00 177.10 176.15 2boa s VAL 17 N -0.26 0.11 -0.06 1.60 0.11 -1.26 -4.50 120.40 116.14 2boa s VAL 17 Ca 0.46 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2boa s VAL 17 Cb -0.24 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2boa s VAL 17 CO 0.31 0.07 -0.03 0.54 -3.33 0.00 0.00 175.10 172.66 2boa n ARG 18 N 3.51 1.29 -3.68 1.54 3.00 -1.26 -4.47 116.66 116.58 2boa n ARG 18 Ca -0.19 0.02 -0.13 0.00 -0.01 0.00 0.00 57.85 57.54 2boa n ARG 18 Cb 0.55 -1.14 -0.03 0.00 0.00 0.00 0.00 32.46 31.84 2boa n ARG 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2boa n ASN 19 N -2.51 -1.10 0.29 0.55 6.94 -1.26 -4.08 115.26 114.08 2boa n ASN 19 Ca -0.11 -2.67 0.16 0.00 -0.02 0.00 0.00 54.58 51.94 2boa n ASN 19 Cb 0.65 2.10 0.87 0.00 -2.36 0.00 0.00 39.78 41.04 2boa n ASN 19 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2boa h GLY 20 N 1.71 0.00 0.91 4.83 0.00 -1.99 0.94 103.07 109.47 2boa h GLY 20 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2boa h GLY 20 CO 0.32 0.00 -0.34 -1.80 0.00 0.00 0.00 176.54 174.71 2boa h ASP 21 N 0.00 -0.81 -0.46 0.19 3.58 -1.99 -1.35 116.42 115.58 2boa h ASP 21 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2boa h ASP 21 Cb 0.20 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2boa h ASP 21 CO 0.01 -0.51 -0.16 -0.33 -2.88 0.00 0.00 179.24 175.36 2boa h GLU 22 N -1.06 0.92 -0.14 0.28 5.08 -1.88 -2.88 114.58 114.91 2boa h GLU 22 Ca -0.10 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2boa h GLU 22 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2boa h GLU 22 CO 0.16 1.04 0.07 0.82 -1.00 0.00 0.00 179.01 180.10 2boa h ILE 23 N 0.77 1.11 -0.19 3.13 2.04 -0.89 -2.69 117.51 120.79 2boa h ILE 23 Ca 0.11 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2boa h ILE 23 Cb 0.73 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2boa h ILE 23 CO 0.06 0.10 -0.21 -1.28 0.00 0.00 0.00 178.15 176.83 2boa h SER 24 N 0.11 0.52 -0.46 1.72 0.87 -1.29 0.33 113.55 115.35 2boa h SER 24 Ca 0.05 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 2boa h SER 24 Cb 0.10 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2boa h SER 24 CO -0.01 0.89 0.13 0.50 -0.53 0.00 0.00 176.83 177.82 2boa h LYS 25 N 0.15 0.79 -0.18 2.24 1.63 -1.59 1.00 116.57 120.61 2boa h LYS 25 Ca 0.03 -0.15 -0.17 0.00 -0.85 0.00 0.00 60.65 59.51 2boa h LYS 25 Cb 0.75 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2boa h LYS 25 CO 0.05 0.71 -0.55 1.25 -3.45 0.00 0.00 179.45 177.45 2boa h LEU 26 N 0.76 0.80 -0.33 5.20 6.46 -1.42 -1.17 115.31 125.63 2boa h LEU 26 Ca 0.17 -0.59 0.03 0.00 -0.12 0.00 0.00 57.88 57.37 2boa h LEU 26 Cb 0.27 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 2boa h LEU 26 CO -0.00 1.25 0.14 0.28 -0.62 0.00 0.00 178.44 179.49 2boa h SER 27 N 0.40 0.19 0.19 1.25 0.02 0.16 -3.15 113.55 112.61 2boa h SER 27 Ca -0.02 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2boa h SER 27 Cb 1.17 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2boa h SER 27 CO 0.12 0.14 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.25 2boa h GLN 28 N 0.30 -0.24 -1.04 3.45 4.15 0.11 -2.60 115.11 119.24 2boa h GLN 28 Ca 0.14 0.02 0.27 0.00 0.77 0.00 0.00 58.65 59.85 2boa h GLN 28 Cb 0.08 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.75 2boa h GLN 28 CO -0.12 -0.11 0.69 1.25 -1.93 0.00 0.00 178.83 178.61 2boa h LEU 29 N -0.32 0.33 -3.01 -2.39 5.85 -1.16 -2.37 115.31 112.25 2boa h LEU 29 Ca -0.03 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 2boa h LEU 29 Cb 0.25 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 40.92 2boa h LEU 29 CO 0.04 0.07 -0.99 0.55 -0.34 0.00 0.00 178.44 177.77 2boa n VAL 30 N -4.51 0.19 0.08 1.05 3.14 -1.25 -4.02 118.33 113.02 2boa n VAL 30 Ca 0.24 -1.20 0.02 0.00 -2.96 0.00 0.00 64.34 60.44 2boa n VAL 30 Cb 0.93 0.89 -0.03 0.00 -1.06 0.00 0.00 33.84 34.57 2boa n VAL 30 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2boa h ASN 30 N 1.00 0.00 -3.63 6.55 2.35 -1.01 -3.42 115.58 117.43 2boa h ASN 30 Ca -0.21 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.85 2boa h ASN 30 Cb 1.82 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.97 2boa h ASN 30 CO 0.09 0.50 -0.52 -0.55 -1.65 0.00 0.00 177.43 175.31 2boa s SER 30 N -6.03 5.76 0.00 5.81 0.15 -1.06 -5.01 113.70 113.32 2boa s SER 30 Ca 0.00 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 2boa s SER 30 Cb 0.08 -2.05 -0.06 0.00 -1.71 0.00 0.00 66.02 62.29 2boa s SER 30 CO 0.78 -0.29 1.66 0.59 1.20 0.00 0.00 173.24 177.19 2boa n ASN 31 N 5.03 3.34 -4.71 5.45 4.13 -1.26 -4.78 115.26 122.47 2boa n ASN 31 Ca -0.13 -1.96 -0.42 0.00 1.68 0.00 0.00 54.58 53.75 2boa n ASN 31 Cb 0.48 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 2boa n ASN 31 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2boa s ASN 32 N 2.12 6.43 0.00 6.41 0.01 -1.26 -3.32 114.94 125.34 2boa s ASN 32 Ca 0.14 2.77 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 2boa s ASN 32 Cb 0.07 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2boa s ASN 32 CO 0.00 -0.96 0.00 0.18 -1.51 0.00 0.00 177.10 174.81 2boa n LEU 33 N 4.79 0.00 -3.04 0.60 4.77 -1.26 -4.46 117.00 118.40 2boa n LEU 33 Ca 0.16 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 2boa n LEU 33 Cb 0.37 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2boa n LEU 33 CO 0.64 0.00 0.18 0.29 -1.33 0.00 0.00 177.39 177.17 2boa n LYS 34 N -2.00 -6.38 -2.79 3.23 5.02 -1.21 -4.52 118.16 109.52 2boa n LYS 34 Ca 0.00 0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 2boa n LYS 34 Cb 0.00 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.62 2boa n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2boa s LEU 35 N -6.25 4.33 -0.39 -0.35 1.43 -1.26 -4.62 118.68 111.58 2boa s LEU 35 Ca 0.46 1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 2boa s LEU 35 Cb -0.20 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2boa s LEU 35 CO 0.57 -0.26 0.27 0.21 0.23 0.00 0.00 176.35 177.37 2boa s ASN 36 N 0.98 6.02 0.20 2.29 3.04 -0.81 -4.95 114.94 121.71 2boa s ASN 36 Ca 0.48 -0.81 -0.31 0.00 0.04 0.00 0.00 52.86 52.26 2boa s ASN 36 Cb -0.20 -2.13 -0.10 0.00 -1.54 0.00 0.00 41.25 37.29 2boa s ASN 36 CO 0.24 -0.39 1.50 -0.36 -3.04 0.00 0.00 177.10 175.04 2boa s PHE 37 N 1.67 3.06 -0.23 0.43 0.40 -1.26 -0.06 117.98 121.99 2boa s PHE 37 Ca 0.05 0.83 -0.03 0.00 -0.60 0.00 0.00 56.93 57.18 2boa s PHE 37 Cb -0.19 -3.86 -0.13 0.00 0.51 0.00 0.00 43.02 39.35 2boa s PHE 37 CO 0.09 -3.00 -0.23 0.91 0.70 0.00 0.00 175.22 173.69 2boa n TRP 38 N 3.25 0.00 -4.08 0.36 7.02 -0.19 -4.87 117.44 118.94 2boa n TRP 38 Ca 0.11 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.27 2boa n TRP 38 Cb 0.40 -0.85 -0.16 0.00 -2.42 0.00 0.00 31.31 28.27 2boa n TRP 38 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2boa s LYS 39 N -2.44 2.69 0.45 -0.99 -0.14 -0.78 -4.93 119.74 113.59 2boa s LYS 39 Ca -0.31 -0.74 -0.23 0.00 -1.36 0.00 0.00 55.97 53.34 2boa s LYS 39 Cb 0.09 -2.40 -0.08 0.00 -1.68 0.00 0.00 37.83 33.77 2boa s LYS 39 CO 0.48 -0.23 1.11 -1.12 -0.76 0.00 0.00 175.35 174.83 2boa s SER 40 N 1.36 6.36 -0.02 2.83 0.01 -1.26 -2.59 113.70 120.40 2boa s SER 40 Ca 0.05 2.16 -0.34 0.00 1.31 0.00 0.00 55.95 59.12 2boa s SER 40 Cb -0.13 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.39 2boa s SER 40 CO -0.12 -0.77 1.80 -2.65 0.41 0.00 0.00 173.24 171.90 2boa n PRO 41 N -0.45 2.16 0.00 12.44 -0.02 -1.26 -4.82 135.00 143.05 2boa n PRO 41 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2boa n PRO 41 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2boa n PRO 41 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2boa n SER 46 N 5.75 0.00 0.00 2.55 7.64 -1.26 -4.80 113.62 123.49 2boa n SER 46 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2boa n SER 46 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2boa n SER 46 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2boa n SER 47 N 0.00 0.00 -0.08 6.43 7.64 -1.26 -4.92 113.62 121.43 2boa n SER 47 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2boa n SER 47 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2boa n SER 47 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2boa n PHE 48 N 0.00 0.07 0.00 1.43 -1.74 -1.26 -3.86 117.46 112.10 2boa n PHE 48 Ca 0.00 0.26 0.00 0.00 -0.56 0.00 0.00 57.45 57.15 2boa n PHE 48 Cb 0.00 -0.62 0.00 0.00 1.52 0.00 0.00 39.48 40.38 2boa n PHE 48 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2boa n ASN 49 N -4.34 0.00 -4.62 5.98 5.03 -1.26 -4.57 115.26 111.48 2boa n ASN 49 Ca 0.03 0.01 -0.32 0.00 0.87 0.00 0.00 54.58 55.17 2boa n ASN 49 Cb 0.10 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 39.01 2boa n ASN 49 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2boa n ARG 50 N -0.02 -0.31 -3.13 3.52 3.00 -1.25 -4.87 116.66 113.60 2boa n ARG 50 Ca 0.00 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.85 57.43 2boa n ARG 50 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 32.46 30.12 2boa n ARG 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2boa s PRO 51 N -4.32 4.33 -0.04 5.56 0.04 -1.26 -4.57 135.00 134.74 2boa s PRO 51 Ca 0.66 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 2boa s PRO 51 Cb -0.24 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2boa s PRO 51 CO 0.59 0.54 0.65 0.08 0.04 0.00 0.00 177.00 178.90 2boa s VAL 52 N -1.25 4.97 -0.10 -0.36 1.01 -0.60 -4.87 120.40 119.20 2boa s VAL 52 Ca 0.36 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 2boa s VAL 52 Cb -0.20 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2boa s VAL 52 CO 0.22 0.33 -0.03 -1.81 0.00 0.00 0.00 175.10 173.81 2boa s ASP 53 N 0.35 4.93 -0.12 3.32 1.01 -1.07 -0.13 116.67 124.97 2boa s ASP 53 Ca 0.34 0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.57 2boa s ASP 53 Cb -0.18 -1.46 0.05 0.00 1.01 0.00 0.00 42.92 42.34 2boa s ASP 53 CO 0.18 0.31 0.26 0.54 0.21 0.00 0.00 175.17 176.67 2boa s VAL 54 N -0.51 -0.17 0.05 -1.27 0.11 -0.33 -1.02 120.40 117.26 2boa s VAL 54 Ca 0.08 0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 59.02 2boa s VAL 54 Cb -0.12 -0.41 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 2boa s VAL 54 CO 0.02 0.08 1.42 -0.22 -3.33 0.00 0.00 175.10 173.07 2boa s LEU 55 N 1.68 4.34 -0.20 2.54 1.98 0.92 -1.28 118.68 128.67 2boa s LEU 55 Ca -0.06 2.24 0.01 0.00 -2.89 0.00 0.00 54.13 53.43 2boa s LEU 55 Cb -0.11 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.21 2boa s LEU 55 CO -0.09 -0.71 -0.12 -0.69 -1.89 0.00 0.00 176.35 172.85 2boa s VAL 56 N 1.88 1.76 0.38 1.68 1.01 0.12 -1.92 120.40 125.31 2boa s VAL 56 Ca 0.65 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2boa s VAL 56 Cb -0.34 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2boa s VAL 56 CO 0.29 0.24 1.42 -2.84 0.00 0.00 0.00 175.10 174.21 2boa s PRO 57 N 1.36 4.10 0.25 2.72 0.02 -1.26 -1.35 135.00 140.83 2boa s PRO 57 Ca -0.00 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.41 2boa s PRO 57 Cb -0.16 -2.93 0.48 0.00 0.02 0.00 0.00 34.50 31.91 2boa s PRO 57 CO -0.09 -0.49 1.67 1.03 -0.33 0.00 0.00 177.00 178.80 2boa h SER 58 N 2.97 -0.04 -0.30 2.53 0.87 -1.76 0.16 113.55 117.98 2boa h SER 58 Ca -0.50 0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.30 2boa h SER 58 Cb 1.24 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2boa h SER 58 CO 0.64 -0.07 0.43 -0.37 -0.53 0.00 0.00 176.83 176.92 2boa h VAL 59 N 0.24 0.26 0.00 2.23 -1.51 -1.90 -2.60 116.25 112.97 2boa h VAL 59 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.90 2boa h VAL 59 Cb 0.75 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2boa h VAL 59 CO -0.55 0.00 -0.00 -0.24 -1.23 0.00 0.00 177.57 175.55 2boa n SER 60 N -3.46 2.24 -0.14 4.19 2.88 0.53 -4.71 113.62 115.14 2boa n SER 60 Ca 0.05 -2.79 -0.10 0.00 -1.33 0.00 0.00 58.87 54.71 2boa n SER 60 Cb 0.56 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.70 2boa n SER 60 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2boa h LEU 61 N 0.00 0.63 0.12 2.46 5.85 -1.09 -3.15 115.31 120.13 2boa h LEU 61 Ca 0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2boa h LEU 61 Cb 0.87 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2boa h LEU 61 CO 0.00 0.70 -0.06 0.06 -0.34 0.00 0.00 178.44 178.80 2boa h GLN 62 N 0.52 -0.16 -0.08 1.25 -0.00 -1.84 -2.32 115.11 112.48 2boa h GLN 62 Ca 0.13 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.80 2boa h GLN 62 Cb 0.33 0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.83 2boa h GLN 62 CO 0.00 0.13 0.01 0.00 -0.00 0.00 0.00 178.83 178.98 2boa h ALA 63 N 0.38 0.08 -0.67 0.06 0.00 -1.91 -1.85 119.26 115.35 2boa h ALA 63 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2boa h ALA 63 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2boa h ALA 63 CO 0.03 -0.45 0.34 0.35 0.00 0.00 0.00 179.25 179.51 2boa h PHE 64 N 0.05 0.96 -0.17 0.00 -0.00 -1.57 -0.18 116.94 116.02 2boa h PHE 64 Ca 0.04 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.97 57.91 2boa h PHE 64 Cb 0.03 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 35.68 2boa h PHE 64 CO -0.11 0.71 -0.11 0.87 -0.00 0.00 0.00 178.31 179.67 2boa h LYS 65 N 0.93 0.37 -0.77 1.11 1.57 -1.34 0.06 116.57 118.50 2boa h LYS 65 Ca 0.23 -0.17 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2boa h LYS 65 Cb 0.10 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 2boa h LYS 65 CO -0.03 0.70 0.39 1.03 -0.57 0.00 0.00 179.45 180.97 2boa h SER 66 N 0.04 0.50 -0.40 0.86 0.87 -1.22 -1.17 113.55 113.04 2boa h SER 66 Ca 0.04 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2boa h SER 66 Cb 0.60 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2boa h SER 66 CO 0.03 0.26 -0.21 0.15 -0.53 0.00 0.00 176.83 176.53 2boa h PHE 67 N 0.63 1.03 -0.56 2.24 3.04 -0.78 -1.85 116.94 120.68 2boa h PHE 67 Ca 0.39 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2boa h PHE 67 Cb 0.46 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 2boa h PHE 67 CO -0.10 1.02 0.37 -0.07 -2.02 0.00 0.00 178.31 177.51 2boa h LEU 68 N 0.78 0.65 -0.46 0.59 4.07 -0.50 -1.16 115.31 119.29 2boa h LEU 68 Ca 0.11 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.06 2boa h LEU 68 Cb 0.76 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 2boa h LEU 68 CO 0.06 0.48 0.28 0.03 -1.08 0.00 0.00 178.44 178.21 2boa h ARG 69 N 0.76 0.54 0.00 1.13 3.08 -1.07 0.93 114.38 119.76 2boa h ARG 69 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2boa h ARG 69 Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2boa h ARG 69 CO -0.04 0.36 0.00 0.66 -1.07 0.00 0.00 179.97 179.87 2boa h SER 70 N 0.55 0.00 -0.46 7.04 4.64 -0.99 -2.94 113.55 121.39 2boa h SER 70 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2boa h SER 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2boa h SER 70 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 2boa n GLN 71 N -2.43 3.04 -3.37 4.77 1.13 -0.47 -4.97 117.38 115.08 2boa n GLN 71 Ca 0.03 -2.46 -0.24 0.00 -1.94 0.00 0.00 57.00 52.40 2boa n GLN 71 Cb 0.34 -1.54 0.05 0.00 0.11 0.00 0.00 30.24 29.20 2boa n GLN 71 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2boa n GLY 72 N 0.68 -0.53 3.63 1.08 0.00 -1.03 -4.99 105.19 104.02 2boa n GLY 72 Ca 0.18 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 2boa n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2boa s LEU 73 N -7.02 3.81 -0.12 0.99 1.43 0.29 -5.04 118.68 113.02 2boa s LEU 73 Ca 0.47 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2boa s LEU 73 Cb -0.21 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2boa s LEU 73 CO 0.58 0.16 0.15 -1.61 0.23 0.00 0.00 176.35 175.86 2boa s GLU 74 N 0.47 3.50 0.01 1.70 2.02 -1.26 -4.26 118.70 120.87 2boa s GLU 74 Ca 0.03 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 2boa s GLU 74 Cb -0.13 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 2boa s GLU 74 CO 0.01 0.75 -0.00 1.52 0.02 0.00 0.00 175.26 177.55 2boa s TYR 75 N -0.95 0.18 0.13 1.61 -0.85 -1.26 -2.41 117.35 113.79 2boa s TYR 75 Ca 0.15 -0.37 0.07 0.00 -0.52 0.00 0.00 57.07 56.40 2boa s TYR 75 Cb -0.12 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 2boa s TYR 75 CO 0.04 -0.16 -0.03 0.00 -1.52 0.00 0.00 175.55 173.88 2boa s ALA 76 N -1.14 3.16 -0.51 9.51 0.00 -0.73 -4.95 121.76 127.09 2boa s ALA 76 Ca -0.12 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 2boa s ALA 76 Cb -0.08 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2boa s ALA 76 CO -0.01 0.59 0.77 0.08 0.00 0.00 0.00 175.76 177.19 2boa s VAL 77 N -1.47 4.66 -0.03 0.00 1.01 -1.26 -0.87 120.40 122.44 2boa s VAL 77 Ca 0.25 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2boa s VAL 77 Cb -0.10 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.64 2boa s VAL 77 CO 0.17 -0.91 0.72 0.71 0.00 0.00 0.00 175.10 175.79 2boa h THR 78 N 5.94 0.97 -3.38 3.92 1.35 -1.49 -3.43 112.91 116.78 2boa h THR 78 Ca -0.27 -2.73 -0.61 0.00 -0.55 0.00 0.00 66.41 62.26 2boa h THR 78 Cb 1.09 2.58 -0.37 0.00 -1.73 0.00 0.00 68.15 69.71 2boa h THR 78 CO 1.01 0.71 -0.81 -0.63 -0.25 0.00 0.00 175.52 175.55 2boa s ILE 79 N -2.61 1.64 0.11 6.82 1.01 -1.18 -4.97 121.20 122.02 2boa s ILE 79 Ca -0.09 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 2boa s ILE 79 Cb 0.08 -1.69 -0.19 0.00 0.01 0.00 0.00 42.46 40.66 2boa s ILE 79 CO 0.82 0.21 1.27 -0.33 0.00 0.00 0.00 174.94 176.91 2boa h GLU 80 N 7.98 0.54 -2.80 2.79 3.07 -1.85 -2.43 114.58 121.88 2boa h GLU 80 Ca -0.29 -0.56 -0.42 0.00 -0.50 0.00 0.00 59.36 57.59 2boa h GLU 80 Cb 1.10 0.15 -0.39 0.00 -0.84 0.00 0.00 28.75 28.78 2boa h GLU 80 CO 0.48 1.19 -0.71 0.34 -1.40 0.00 0.00 179.01 178.91 2boa s ASP 81 N -7.15 2.19 0.14 1.42 -1.08 -1.26 -4.57 116.67 106.36 2boa s ASP 81 Ca -0.07 -0.60 -0.18 0.00 -0.52 0.00 0.00 52.55 51.18 2boa s ASP 81 Cb 0.08 -0.03 -0.01 0.00 -1.46 0.00 0.00 42.92 41.51 2boa s ASP 81 CO 0.89 -0.36 1.77 0.25 0.52 0.00 0.00 175.17 178.24 2boa h LEU 82 N 8.38 0.23 -1.61 -1.34 7.12 -1.58 -2.84 115.31 123.66 2boa h LEU 82 Ca -0.16 0.01 0.10 0.00 0.13 0.00 0.00 57.88 57.96 2boa h LEU 82 Cb 1.13 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.18 2boa h LEU 82 CO 0.31 0.17 0.43 -0.61 -0.13 0.00 0.00 178.44 178.61 2boa h GLN 83 N 0.31 0.42 -0.11 1.25 5.75 -1.79 -0.55 115.11 120.39 2boa h GLN 83 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2boa h GLN 83 Cb 0.03 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2boa h GLN 83 CO -0.08 0.28 0.06 0.00 -2.65 0.00 0.00 178.83 176.44 2boa h ALA 84 N 1.68 0.13 -0.87 3.38 0.00 -1.82 0.12 119.26 121.88 2boa h ALA 84 Ca 0.30 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2boa h ALA 84 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2boa h ALA 84 CO -0.09 -0.39 0.57 -0.07 0.00 0.00 0.00 179.25 179.27 2boa h LEU 85 N 0.12 1.00 -0.79 0.00 3.38 -1.14 -2.11 115.31 115.78 2boa h LEU 85 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2boa h LEU 85 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2boa h LEU 85 CO -0.02 0.73 0.39 -0.07 0.09 0.00 0.00 178.44 179.56 2boa h LEU 86 N 1.18 1.02 -0.01 1.67 -0.00 -0.96 -2.53 115.31 115.67 2boa h LEU 86 Ca 0.32 -0.13 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 2boa h LEU 86 Cb -0.13 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.26 2boa h LEU 86 CO -0.07 0.86 -0.05 0.44 -0.00 0.00 0.00 178.44 179.61 2boa h ASP 87 N 1.10 -0.16 -0.56 -0.43 3.32 -0.49 -1.98 116.42 117.24 2boa h ASP 87 Ca 0.27 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.46 2boa h ASP 87 Cb 0.10 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 2boa h ASP 87 CO -0.04 -0.08 -0.00 0.78 -1.72 0.00 0.00 179.24 178.18 2boa h ASN 88 N -0.09 -0.25 -0.12 6.45 -0.26 -1.18 -1.99 115.58 118.14 2boa h ASN 88 Ca 0.03 0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2boa h ASN 88 Cb 0.12 0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2boa h ASN 88 CO -0.07 -0.09 0.08 -0.08 -1.06 0.00 0.00 177.43 176.21 2boa h GLU 89 N 0.12 0.16 -0.18 0.81 4.81 -1.31 -1.17 114.58 117.82 2boa h GLU 89 Ca 0.29 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2boa h GLU 89 Cb 0.45 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 2boa h GLU 89 CO -0.48 0.13 -0.25 -0.44 -0.73 0.00 0.00 179.01 177.24 2boa h ASP 90 N 0.14 -0.79 -0.16 1.04 3.45 -0.98 -0.42 116.42 118.71 2boa h ASP 90 Ca 0.04 0.13 0.01 0.00 0.43 0.00 0.00 57.03 57.64 2boa h ASP 90 Cb 0.01 0.36 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 2boa h ASP 90 CO -0.01 -0.29 0.08 0.44 -1.57 0.00 0.00 179.24 177.89 2boa h ASP 91 N -0.29 0.13 -0.77 6.45 3.45 -1.18 0.52 116.42 124.74 2boa h ASP 91 Ca 0.12 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.68 2boa h ASP 91 Cb 0.47 -0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.14 2boa h ASP 91 CO -0.35 0.10 0.41 -0.33 -1.57 0.00 0.00 179.24 177.51 2boa h GLU 92 N 0.18 0.67 0.40 3.56 3.07 -1.05 0.18 114.58 121.59 2boa h GLU 92 Ca 0.06 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2boa h GLU 92 Cb 0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 2boa h GLU 92 CO -0.04 0.44 -0.19 0.52 -1.40 0.00 0.00 179.01 178.34 2boa h MET 93 N 0.69 -0.51 -0.78 2.33 2.86 -0.70 -2.26 114.93 116.55 2boa h MET 93 Ca 0.38 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.20 2boa h MET 93 Cb 0.39 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.02 2boa h MET 93 CO -0.27 -0.20 -0.28 0.37 1.06 0.00 0.00 176.91 177.60 2boa h GLN 94 N -0.89 -0.05 0.49 1.72 4.15 0.28 -1.55 115.11 119.27 2boa h GLN 94 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2boa h GLN 94 Cb 0.55 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2boa h GLN 94 CO 0.09 -0.03 -0.24 1.25 -1.93 0.00 0.00 178.83 177.97 2boa h HIS 95 N -0.05 -0.61 -0.94 3.99 2.76 -0.67 -2.93 115.15 116.70 2boa h HIS 95 Ca 0.34 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.68 2boa h HIS 95 Cb 0.58 0.20 -0.11 0.00 1.55 0.00 0.00 27.41 29.64 2boa h HIS 95 CO -0.68 -0.33 0.52 -0.97 -1.30 0.00 0.00 177.93 175.16 2boa h ASN 96 N -0.78 0.61 0.21 3.26 -1.24 -0.99 0.56 115.58 117.20 2boa h ASN 96 Ca -0.07 0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 2boa h ASN 96 Cb 0.56 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2boa h ASN 96 CO 0.11 0.18 -0.22 -0.33 -1.29 0.00 0.00 177.43 175.88 2boa h GLU 97 N 0.62 0.02 -0.20 6.67 5.08 -1.17 0.15 114.58 125.76 2boa h GLU 97 Ca 0.55 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.82 2boa h GLU 97 Cb 0.92 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2boa h GLU 97 CO -0.42 0.24 -0.24 0.78 -1.00 0.00 0.00 179.01 178.37 2boa h GLY 98 N 0.69 0.56 0.93 -3.84 0.00 -0.73 -1.73 103.07 98.94 2boa h GLY 98 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2boa h GLY 98 CO 0.03 0.53 -0.09 1.46 0.00 0.00 0.00 176.54 178.48 2boa h GLN 99 N 0.18 -0.23 -0.34 4.80 4.20 -1.03 -2.50 115.11 120.18 2boa h GLN 99 Ca 0.03 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2boa h GLN 99 Cb 0.80 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 2boa h GLN 99 CO 0.06 -0.09 0.15 0.93 -0.67 0.00 0.00 178.83 179.20 2boa h GLU 1001N -0.32 0.30 -0.82 1.46 5.08 -1.02 1.29 114.58 120.55 2boa h GLU 1001Ca -0.02 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2boa h GLU 1001Cb 0.25 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2boa h GLU 1001CO 0.04 0.20 0.54 -0.09 -1.00 0.00 0.00 179.01 178.70 2boa h ARG 1002N 0.31 0.57 0.00 2.33 2.43 -1.33 0.52 114.38 119.20 2boa h ARG 1002Ca 0.15 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.02 2boa h ARG 1002Cb 0.09 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2boa h ARG 1002CO -0.12 0.38 -1.53 1.03 -1.51 0.00 0.00 179.97 178.21 2boa h SER 1003N 0.59 0.00 0.11 -3.80 0.87 -0.85 -3.38 113.55 107.09 2boa h SER 1003Ca 0.40 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.66 2boa h SER 1003Cb 0.72 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2boa h SER 1003CO -0.16 0.94 -1.24 0.28 -0.53 0.00 0.00 176.83 176.12 2boa h SER 1004N 0.00 0.89 0.00 6.23 0.02 0.22 -3.47 113.55 117.44 2boa h SER 1004Ca -0.22 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 2boa h SER 1004Cb 1.91 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2boa h SER 1004CO 0.08 1.62 0.00 0.59 -1.14 0.00 0.00 176.83 177.98 2boa n ASN 1005N -3.80 -0.86 -4.90 3.07 3.02 0.18 -5.02 115.26 106.96 2boa n ASN 1005Ca -0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.13 2boa n ASN 1005Cb 0.98 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2boa n ASN 1005CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2boa s ASN 1006N -2.61 5.68 -0.23 6.41 0.01 -1.24 -5.05 114.94 117.91 2boa s ASN 1006Ca 0.00 0.97 0.01 0.00 -0.71 0.00 0.00 52.86 53.13 2boa s ASN 1006Cb 0.00 -1.93 0.04 0.00 0.41 0.00 0.00 41.25 39.77 2boa s ASN 1006CO 0.00 -1.09 -0.12 0.12 -1.51 0.00 0.00 177.10 174.50 2boa s PHE 1007N -3.12 3.08 -0.60 2.20 2.19 -1.26 -4.71 117.98 115.76 2boa s PHE 1007Ca 0.55 -1.94 -0.27 0.00 0.33 0.00 0.00 56.93 55.60 2boa s PHE 1007Cb -0.11 -1.96 0.04 0.00 -1.31 0.00 0.00 43.02 39.68 2boa s PHE 1007CO 0.49 -0.82 1.11 1.21 1.83 0.00 0.00 175.22 179.04 2boa s ASN 1008N 1.21 6.36 0.34 6.13 3.84 -1.26 -4.93 114.94 126.64 2boa s ASN 1008Ca -0.03 -0.16 0.25 0.00 0.21 0.00 0.00 52.86 53.13 2boa s ASN 1008Cb -0.17 -2.51 1.22 0.00 -0.55 0.00 0.00 41.25 39.24 2boa s ASN 1008CO -0.07 -1.45 1.76 1.88 -2.79 0.00 0.00 177.10 176.43 2boa h TYR 1009N 9.53 0.00 -0.45 0.43 -1.99 -2.00 -3.20 116.97 119.30 2boa h TYR 1009Ca -0.26 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.17 2boa h TYR 1009Cb 1.06 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.66 2boa h TYR 1009CO 1.01 0.00 0.39 0.41 -0.00 0.00 0.00 178.16 179.96 2boa n GLY 1010N -0.75 3.94 3.48 3.88 0.00 -1.26 -4.73 105.19 109.74 2boa n GLY 1010Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2boa n GLY 1010CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2boa s ALA 1011N -1.70 -0.36 0.01 4.61 0.00 -1.21 -4.66 121.76 118.45 2boa s ALA 1011Ca 0.29 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2boa s ALA 1011Cb 0.23 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 24.23 2boa s ALA 1011CO 0.00 -0.76 0.27 0.71 0.00 0.00 0.00 175.76 175.97 2boa s TYR 1012N -3.96 3.57 0.10 0.00 2.02 -1.26 -4.97 117.35 112.85 2boa s TYR 1012Ca 0.17 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.47 2boa s TYR 1012Cb 0.01 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2boa s TYR 1012CO 0.02 0.61 -0.14 -1.01 -1.57 0.00 0.00 175.55 173.46 2boa s HIS 1013N -1.32 1.28 0.70 2.71 3.76 -1.26 -4.91 115.29 116.26 2boa s HIS 1013Ca 0.28 -0.53 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 2boa s HIS 1013Cb -0.13 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 32.86 2boa s HIS 1013CO 0.17 0.09 0.96 -1.13 -0.85 0.00 0.00 174.74 173.98 2boa n SER 1014N 0.83 0.51 -0.28 1.40 3.41 -1.26 -4.86 113.62 113.37 2boa n SER 1014Ca -0.18 0.69 0.17 0.00 -0.26 0.00 0.00 58.87 59.29 2boa n SER 1014Cb 0.56 -1.40 0.44 0.00 -0.26 0.00 0.00 64.21 63.55 2boa n SER 1014CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2boa h LEU 1015N -0.14 0.54 -0.81 1.04 5.85 -1.96 -1.52 115.31 118.32 2boa h LEU 1015Ca -0.48 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 2boa h LEU 1015Cb 1.34 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2boa h LEU 1015CO 0.47 0.21 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.69 2boa h GLU 1016N 0.54 0.87 -0.11 1.25 4.81 -1.99 -0.48 114.58 119.47 2boa h GLU 1016Ca 0.50 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 59.26 2boa h GLU 1016Cb 1.06 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.36 2boa h GLU 1016CO -0.24 0.88 -0.81 0.00 -0.73 0.00 0.00 179.01 178.12 2boa h ALA 1017N 1.17 0.36 0.54 2.92 0.00 -1.72 -1.76 119.26 120.77 2boa h ALA 1017Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2boa h ALA 1017Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2boa h ALA 1017CO 0.03 0.71 -0.26 0.82 0.00 0.00 0.00 179.25 180.55 2boa h ILE 1018N 0.45 0.46 -0.98 0.00 2.04 -1.23 -0.17 117.51 118.09 2boa h ILE 1018Ca -0.06 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.84 2boa h ILE 1018Cb 1.42 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 2boa h ILE 1018CO 0.16 0.01 0.61 1.88 0.00 0.00 0.00 178.15 180.81 2boa h TYR 1019N -0.77 1.12 -0.45 1.37 0.99 -1.16 -0.50 116.97 117.57 2boa h TYR 1019Ca -0.07 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.59 2boa h TYR 1019Cb 0.57 -0.36 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 2boa h TYR 1019CO -0.03 0.47 -0.09 1.25 -0.00 0.00 0.00 178.16 179.76 2boa h HIS 1020N 1.00 0.96 -0.04 4.88 2.76 -1.14 -1.65 115.15 121.92 2boa h HIS 1020Ca 0.47 -0.20 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 2boa h HIS 1020Cb 0.42 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2boa h HIS 1020CO -0.01 0.95 -0.50 1.49 -1.30 0.00 0.00 177.93 178.55 2boa h GLU 1021N 0.69 0.10 -0.60 5.26 4.57 -0.27 0.91 114.58 125.24 2boa h GLU 1021Ca 0.12 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.15 2boa h GLU 1021Cb 0.63 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2boa h GLU 1021CO 0.04 0.58 0.03 0.52 -1.18 0.00 0.00 179.01 179.00 2boa h MET 1022N 0.08 1.05 -0.42 1.92 2.86 -0.98 0.12 114.93 119.56 2boa h MET 1022Ca 0.00 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.23 2boa h MET 1022Cb 0.92 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 2boa h MET 1022CO 0.07 1.02 -0.09 0.22 1.06 0.00 0.00 176.91 179.18 2boa h ASP 1023N 0.95 0.72 0.06 1.22 1.82 -0.69 -3.01 116.42 117.48 2boa h ASP 1023Ca 0.17 -0.20 -0.15 0.00 -0.39 0.00 0.00 57.03 56.46 2boa h ASP 1023Cb 0.53 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2boa h ASP 1023CO 0.03 0.85 -0.52 0.78 -1.61 0.00 0.00 179.24 178.77 2boa h ASN 1024N 0.67 0.56 -0.73 2.28 2.35 -0.41 -1.64 115.58 118.66 2boa h ASN 1024Ca 0.12 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2boa h ASN 1024Cb 0.55 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2boa h ASN 1024CO 0.03 0.97 0.38 0.40 -1.65 0.00 0.00 177.43 177.57 2boa h ILE 1025N 0.40 1.23 -0.12 2.81 2.04 -0.72 -1.59 117.51 121.55 2boa h ILE 1025Ca 0.01 -0.60 -0.22 0.00 1.00 0.00 0.00 64.86 65.05 2boa h ILE 1025Cb 1.04 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2boa h ILE 1025CO 0.09 0.26 -0.80 0.00 0.00 0.00 0.00 178.15 177.70 2boa h ALA 1026N 1.37 0.34 -0.71 1.87 0.00 -1.47 -2.71 119.26 117.95 2boa h ALA 1026Ca 0.26 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2boa h ALA 1026Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2boa h ALA 1026CO -0.04 0.70 0.17 0.00 0.00 0.00 0.00 179.25 180.08 2boa h ALA 1027N 0.60 0.94 -0.07 0.00 0.00 -1.15 -2.67 119.26 116.92 2boa h ALA 1027Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2boa h ALA 1027Cb 1.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2boa h ALA 1027CO 0.16 0.67 -0.68 -0.44 0.00 0.00 0.00 179.25 178.96 2boa h ASP 1028N 1.08 0.36 -2.42 0.00 3.32 -1.31 -3.35 116.42 114.10 2boa h ASP 1028Ca 0.22 -0.23 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2boa h ASP 1028Cb 0.39 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 39.42 2boa h ASP 1028CO 0.00 0.93 -0.76 0.49 -1.72 0.00 0.00 179.24 178.19 2boa n PHE 1029N -3.83 1.96 0.24 4.55 3.01 -1.02 -4.97 117.46 117.40 2boa n PHE 1029Ca -0.03 -3.94 0.11 0.00 1.01 0.00 0.00 57.45 54.60 2boa n PHE 1029Cb 0.67 -0.40 0.60 0.00 -0.01 0.00 0.00 39.48 40.34 2boa n PHE 1029CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2boa h PRO 1030N 4.69 0.00 -0.07 -1.08 0.13 -1.62 -2.19 132.00 131.86 2boa h PRO 1030Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2boa h PRO 1030Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2boa h PRO 1030CO 0.65 0.19 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 2boa n ASP 1031N -3.60 1.06 0.00 1.44 8.00 -1.26 -4.37 116.55 117.82 2boa n ASP 1031Ca -0.01 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.98 2boa n ASP 1031Cb 0.32 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2boa n ASP 1031CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2boa n LEU 1032N -0.12 0.72 -4.15 0.64 7.94 -0.99 -4.77 117.00 116.27 2boa n LEU 1032Ca 0.17 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.82 2boa n LEU 1032Cb 0.25 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.05 2boa n LEU 1032CO 0.14 0.12 -0.50 0.00 -1.11 0.00 0.00 177.39 176.04 2boa s ALA 1033N -1.40 1.46 -0.01 1.96 0.00 -0.86 -1.83 121.76 121.08 2boa s ALA 1033Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2boa s ALA 1033Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 2boa s ALA 1033CO 0.00 0.33 0.09 -0.98 0.00 0.00 0.00 175.76 175.19 2boa s ARG 1034N -0.26 0.32 -0.36 0.00 1.70 -0.96 -4.58 118.95 114.81 2boa s ARG 1034Ca 0.03 -0.26 -0.23 0.00 -0.47 0.00 0.00 55.73 54.80 2boa s ARG 1034Cb -0.08 0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 2boa s ARG 1034CO 0.00 -0.07 0.77 0.50 -1.08 0.00 0.00 175.30 175.43 2boa s ARG 1035N -0.91 3.77 -0.14 3.89 3.52 -1.26 -1.00 118.95 126.82 2boa s ARG 1035Ca -0.10 0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 2boa s ARG 1035Cb -0.06 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 2boa s ARG 1035CO 0.00 -0.82 -0.01 0.08 -0.81 0.00 0.00 175.30 173.75 2boa s VAL 1036N 3.05 4.17 -0.23 7.11 1.01 -0.03 -4.93 120.40 130.55 2boa s VAL 1036Ca 0.31 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 2boa s VAL 1036Cb -0.13 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2boa s VAL 1036CO 0.16 0.52 0.63 -0.75 0.00 0.00 0.00 175.10 175.65 2boa s LYS 1037N 0.04 4.15 -0.01 2.72 2.20 -1.26 -1.32 119.74 126.25 2boa s LYS 1037Ca 0.02 0.57 0.18 0.00 -0.36 0.00 0.00 55.97 56.37 2boa s LYS 1037Cb -0.13 -3.62 -0.22 0.00 -1.51 0.00 0.00 37.83 32.35 2boa s LYS 1037CO 0.02 -0.35 0.63 0.44 -0.36 0.00 0.00 175.35 175.73 2boa n ILE 1038N 5.01 0.00 -3.29 5.43 -5.35 -0.31 -5.00 119.36 115.85 2boa n ILE 1038Ca -0.01 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2boa n ILE 1038Cb 0.49 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 2boa n ILE 1038CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2boa n GLY 1039N 1.43 -0.76 3.17 3.28 0.00 -1.25 -4.86 105.19 106.21 2boa n GLY 1039Ca 0.01 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 2boa n GLY 1039CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2boa s HIS 1040N -3.00 1.30 1.02 1.61 3.76 -1.26 -1.31 115.29 117.40 2boa s HIS 1040Ca 0.00 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 2boa s HIS 1040Cb 0.00 -0.75 0.21 0.00 1.11 0.00 0.00 32.58 33.14 2boa s HIS 1040CO 0.00 0.06 1.21 -1.54 -0.85 0.00 0.00 174.74 173.62 2boa s SER 1041N -1.38 2.59 0.27 1.40 1.04 0.87 -4.25 113.70 114.23 2boa s SER 1041Ca 0.01 0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 2boa s SER 1041Cb -0.09 -0.79 0.36 0.00 0.10 0.00 0.00 66.02 65.61 2boa s SER 1041CO 0.02 -3.08 1.83 0.15 0.98 0.00 0.00 173.24 173.13 2boa h PHE 1042N -1.87 0.93 -0.24 5.02 3.57 -1.95 -1.26 116.94 121.14 2boa h PHE 1042Ca -0.46 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.97 2boa h PHE 1042Cb 1.28 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2boa h PHE 1042CO -1.08 0.75 0.00 0.39 -2.23 0.00 0.00 178.31 176.14 2boa n GLU 1043N -4.29 1.70 -1.51 1.11 1.02 -1.26 -4.88 120.64 112.53 2boa n GLU 1043Ca 0.05 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 2boa n GLU 1043Cb 0.20 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2boa n GLU 1043CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2boa n ASN 1044N 0.34 -1.16 -4.86 1.62 3.02 -0.47 -5.08 115.26 108.66 2boa n ASN 1044Ca 0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 2boa n ASN 1044Cb 0.29 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 2boa n ASN 1044CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2boa s ARG 1045N -3.15 3.80 0.58 3.52 0.52 -1.26 -4.67 118.95 118.30 2boa s ARG 1045Ca 0.00 0.72 -0.20 0.00 -0.52 0.00 0.00 55.73 55.73 2boa s ARG 1045Cb 0.00 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 2boa s ARG 1045CO 0.00 -0.26 1.27 -1.25 0.02 0.00 0.00 175.30 175.07 2boa s PRO 1046N -4.30 2.97 -0.37 3.54 0.04 -1.26 -0.09 135.00 135.52 2boa s PRO 1046Ca 0.55 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.46 2boa s PRO 1046Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2boa s PRO 1046CO 0.37 -1.25 0.24 -1.64 0.04 0.00 0.00 177.00 174.75 2boa s MET 1047N -3.18 3.05 -0.16 4.56 -1.94 -0.43 -4.71 119.30 116.49 2boa s MET 1047Ca 0.76 -0.94 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 2boa s MET 1047Cb -0.35 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 32.65 2boa s MET 1047CO 0.39 -0.64 0.01 0.71 -0.01 0.00 0.00 175.02 175.48 2boa s TYR 1048N 1.63 3.14 0.16 -0.03 4.12 -1.26 -1.16 117.35 123.95 2boa s TYR 1048Ca 0.04 -0.09 0.11 0.00 0.02 0.00 0.00 57.07 57.15 2boa s TYR 1048Cb -0.19 -2.00 -0.04 0.00 -1.52 0.00 0.00 41.96 38.21 2boa s TYR 1048CO 0.08 0.09 -0.24 0.08 0.02 0.00 0.00 175.55 175.59 2boa s VAL 1049N 0.27 2.40 -0.17 0.71 1.01 -0.43 -4.42 120.40 119.77 2boa s VAL 1049Ca 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.04 2boa s VAL 1049Cb -0.13 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2boa s VAL 1049CO 0.02 -0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.44 2boa s LEU 1050N -2.40 4.08 -0.19 3.92 1.43 0.63 -0.85 118.68 125.30 2boa s LEU 1050Ca 0.18 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2boa s LEU 1050Cb -0.09 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2boa s LEU 1050CO 0.09 0.25 0.05 -0.75 0.23 0.00 0.00 176.35 176.22 2boa s LYS 1051N -0.05 3.91 -0.13 1.70 2.20 -0.17 0.26 119.74 127.45 2boa s LYS 1051Ca 0.08 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 2boa s LYS 1051Cb -0.12 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 2boa s LYS 1051CO 0.00 0.22 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.97 2boa s PHE 1052N 0.52 2.72 -0.27 4.03 0.40 0.29 -2.27 117.98 123.40 2boa s PHE 1052Ca 0.03 -0.92 -0.26 0.00 -0.60 0.00 0.00 56.93 55.18 2boa s PHE 1052Cb -0.13 -1.82 0.11 0.00 0.51 0.00 0.00 43.02 41.70 2boa s PHE 1052CO 0.01 -0.37 0.97 0.45 0.70 0.00 0.00 175.22 176.98 2boa s SER 1053N 0.51 -0.50 0.00 1.36 0.15 -0.76 -1.33 113.70 113.12 2boa s SER 1053Ca -0.12 0.93 0.12 0.00 0.70 0.00 0.00 55.95 57.58 2boa s SER 1053Cb -0.16 0.93 0.25 0.00 -1.71 0.00 0.00 66.02 65.32 2boa s SER 1053CO 0.05 -0.19 1.13 0.35 1.20 0.00 0.00 173.24 175.78 2boa n THR 1054N 2.15 0.61 1.05 6.45 -2.24 -1.25 -4.42 114.28 116.63 2boa n THR 1054Ca -0.13 -0.80 0.13 0.00 -2.27 0.00 0.00 64.05 60.97 2boa n THR 1054Cb 0.56 0.80 0.60 0.00 -2.10 0.00 0.00 70.33 70.18 2boa n THR 1054CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2boa n GLY 1055N 0.65 -1.26 2.59 3.38 0.00 -1.26 -4.94 105.19 104.35 2boa n GLY 1055Ca 0.11 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2boa n GLY 1055CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2boa n LYS 1055N -1.39 -2.68 0.00 1.61 5.02 -1.26 -3.07 118.16 116.40 2boa n LYS 1055Ca 0.09 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 2boa n LYS 1055Cb 0.25 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 2boa n LYS 1055CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2boa n GLY 1056N -1.18 2.22 3.76 0.72 0.00 -1.26 -5.10 105.19 104.35 2boa n GLY 1056Ca -0.21 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2boa n GLY 1056CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2boa s VAL 1057N -0.34 2.16 -0.07 1.61 1.01 -1.17 -4.99 120.40 118.61 2boa s VAL 1057Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2boa s VAL 1057Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2boa s VAL 1057CO 0.00 0.01 1.04 -0.60 0.00 0.00 0.00 175.10 175.55 2boa s ARG 1058N -2.60 4.43 0.29 2.72 3.52 -1.26 -4.81 118.95 121.24 2boa s ARG 1058Ca 0.64 1.46 0.09 0.00 -0.13 0.00 0.00 55.73 57.80 2boa s ARG 1058Cb -0.41 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2boa s ARG 1058CO 0.52 -0.30 0.01 1.03 -0.81 0.00 0.00 175.30 175.75 2boa s ARG 1059N 1.86 2.26 0.33 5.12 0.52 -1.26 -5.11 118.95 122.66 2boa s ARG 1059Ca 0.51 -1.49 -0.27 0.00 -0.52 0.00 0.00 55.73 53.96 2boa s ARG 1059Cb -0.20 -2.12 -0.13 0.00 0.52 0.00 0.00 34.95 33.02 2boa s ARG 1059CO 0.21 0.30 0.95 -0.35 0.02 0.00 0.00 175.30 176.43 2boa n PRO 1060N -0.93 1.24 -4.08 3.54 -0.04 -1.26 -4.63 135.00 128.84 2boa n PRO 1060Ca -0.06 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2boa n PRO 1060Cb 0.60 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 2boa n PRO 1060CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2boa s ALA 1061N -1.14 0.52 -0.16 0.55 0.00 -0.53 -1.47 121.76 119.53 2boa s ALA 1061Ca 0.60 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 2boa s ALA 1061Cb -0.67 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2boa s ALA 1061CO 0.59 0.00 -0.10 0.08 0.00 0.00 0.00 175.76 176.33 2boa s VAL 1062N -1.09 3.18 -0.15 0.00 1.01 -0.23 0.95 120.40 124.07 2boa s VAL 1062Ca -0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 2boa s VAL 1062Cb -0.08 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2boa s VAL 1062CO 0.00 0.49 0.29 0.86 0.00 0.00 0.00 175.10 176.74 2boa s TRP 1063N 0.70 3.48 -0.25 5.22 -0.11 0.17 -1.58 118.94 126.57 2boa s TRP 1063Ca -0.05 0.60 -0.01 0.00 1.22 0.00 0.00 56.10 57.86 2boa s TRP 1063Cb -0.15 -2.32 0.07 0.00 -1.50 0.00 0.00 33.47 29.58 2boa s TRP 1063CO 0.02 0.28 0.03 -0.51 -4.62 0.00 0.00 176.95 172.15 2boa s LEU 1064N 0.33 2.11 0.11 5.86 1.02 0.07 -0.00 118.68 128.17 2boa s LEU 1064Ca 0.16 -1.26 0.10 0.00 0.02 0.00 0.00 54.13 53.16 2boa s LEU 1064Cb -0.13 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 2boa s LEU 1064CO 0.04 -0.32 -0.26 0.54 0.02 0.00 0.00 176.35 176.37 2boa s ASN 1065N 1.60 3.14 0.12 2.29 6.03 -0.89 -0.24 114.94 127.00 2boa s ASN 1065Ca 0.02 -0.70 0.05 0.00 -1.03 0.00 0.00 52.86 51.20 2boa s ASN 1065Cb -0.18 -0.22 -0.04 0.00 -3.03 0.00 0.00 41.25 37.78 2boa s ASN 1065CO -0.13 0.18 -0.12 0.00 -2.03 0.00 0.00 177.10 174.99 2boa s ALA 1066N -1.02 1.42 -0.04 3.54 0.00 0.17 -1.50 121.76 124.33 2boa s ALA 1066Ca 0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2boa s ALA 1066Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2boa s ALA 1066CO 0.05 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2boa n GLY 1067N 0.39 0.43 0.23 0.00 0.00 -1.23 -0.19 105.19 104.82 2boa n GLY 1067Ca -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 2boa n GLY 1067CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2boa h ILE 1068N -0.01 1.27 -3.65 -0.61 2.10 -1.87 -2.29 117.51 112.45 2boa h ILE 1068Ca -0.01 -1.30 -0.69 0.00 1.08 0.00 0.00 64.86 63.94 2boa h ILE 1068Cb 1.01 1.42 -0.20 0.00 -1.09 0.00 0.00 36.82 37.96 2boa h ILE 1068CO 0.01 0.41 -0.47 -1.00 -1.08 0.00 0.00 178.15 176.02 2boa s HIS 1069N -4.42 3.23 0.22 2.19 3.76 -1.26 -4.59 115.29 114.42 2boa s HIS 1069Ca -0.06 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.41 2boa s HIS 1069Cb 0.14 -2.49 0.29 0.00 1.11 0.00 0.00 32.58 31.62 2boa s HIS 1069CO 0.78 -0.43 1.82 0.66 -0.85 0.00 0.00 174.74 176.72 2boa h SER 1070N 8.51 0.66 0.43 1.40 4.64 -1.71 -2.53 113.55 124.96 2boa h SER 1070Ca -0.30 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2boa h SER 1070Cb 1.15 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2boa h SER 1070CO 0.66 0.42 0.00 -2.11 -0.87 0.00 0.00 176.83 174.93 2boa n ARG 1071N -4.72 0.18 -1.35 4.77 1.85 -0.95 -4.03 116.66 112.40 2boa n ARG 1071Ca 0.10 0.52 -0.33 0.00 -1.00 0.00 0.00 57.85 57.14 2boa n ARG 1071Cb 0.19 -1.92 -0.06 0.00 -1.05 0.00 0.00 32.46 29.63 2boa n ARG 1071CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2boa n GLU 1072N -2.26 3.43 0.10 2.89 1.02 -0.96 -4.77 120.64 120.10 2boa n GLU 1072Ca 0.01 -2.14 0.20 0.00 -0.02 0.00 0.00 57.16 55.21 2boa n GLU 1072Cb 0.15 -2.59 0.72 0.00 -0.02 0.00 0.00 31.44 29.70 2boa n GLU 1072CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2boa h TRP 1073N 4.45 0.00 0.00 -0.32 4.06 -1.77 -1.44 115.95 120.93 2boa h TRP 1073Ca 0.70 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.60 2boa h TRP 1073Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 2boa h TRP 1073CO 1.81 0.00 -0.20 0.97 -3.56 0.00 0.00 178.44 177.46 2boa h ILE 1074N 0.00 0.69 0.24 1.49 6.09 -1.86 -2.99 117.51 121.17 2boa h ILE 1074Ca 0.19 -0.87 -0.01 0.00 -1.37 0.00 0.00 64.86 62.80 2boa h ILE 1074Cb 1.21 1.55 0.00 0.00 0.47 0.00 0.00 36.82 40.05 2boa h ILE 1074CO -0.00 0.20 -0.12 0.77 -3.07 0.00 0.00 178.15 175.93 2boa h SER 1075N 0.00 -0.27 -0.43 2.19 4.64 -1.53 -0.07 113.55 118.08 2boa h SER 1075Ca -0.00 -0.21 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2boa h SER 1075Cb 0.53 0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 2boa h SER 1075CO 0.03 0.08 0.05 1.56 -0.87 0.00 0.00 176.83 177.68 2boa h GLN 1076N -0.66 0.17 -0.26 4.77 7.50 -1.71 0.24 115.11 125.16 2boa h GLN 1076Ca -0.03 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 58.97 2boa h GLN 1076Cb 0.47 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 2boa h GLN 1076CO 0.05 0.11 -0.40 0.00 -1.50 0.00 0.00 178.83 177.09 2boa h ALA 1077N 1.35 0.80 -0.59 3.87 0.00 -1.52 -0.22 119.26 122.96 2boa h ALA 1077Ca 0.21 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2boa h ALA 1077Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2boa h ALA 1077CO -0.31 0.65 0.17 1.15 0.00 0.00 0.00 179.25 180.91 2boa h THR 1078N 0.51 1.24 -0.45 0.00 2.02 -0.59 -2.76 112.91 112.88 2boa h THR 1078Ca 0.04 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 2boa h THR 1078Cb 0.92 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2boa h THR 1078CO 0.08 0.32 0.07 0.00 0.37 0.00 0.00 175.52 176.36 2boa h ALA 1079N 1.05 0.60 0.00 6.16 0.00 0.35 -0.70 119.26 126.72 2boa h ALA 1079Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2boa h ALA 1079Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2boa h ALA 1079CO -0.00 0.33 -0.31 0.97 0.00 0.00 0.00 179.25 180.24 2boa h ILE 1080N 0.62 0.72 -0.22 0.00 6.09 -1.13 -2.17 117.51 121.42 2boa h ILE 1080Ca 0.14 -1.36 -0.21 0.00 -1.37 0.00 0.00 64.86 62.06 2boa h ILE 1080Cb 0.39 1.87 0.01 0.00 0.47 0.00 0.00 36.82 39.56 2boa h ILE 1080CO 0.01 0.30 -0.67 -0.25 -3.07 0.00 0.00 178.15 174.47 2boa h TRP 1081N 0.00 1.08 -0.55 2.19 7.01 -1.29 -3.12 115.95 121.27 2boa h TRP 1081Ca -0.00 -0.43 0.05 0.00 2.11 0.00 0.00 58.89 60.62 2boa h TRP 1081Cb 0.85 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.68 2boa h TRP 1081CO 0.00 1.26 0.28 1.15 -2.79 0.00 0.00 178.44 178.34 2boa h THR 1082N 0.60 0.94 -0.79 2.65 2.02 -0.81 -0.96 112.91 116.56 2boa h THR 1082Ca -0.02 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2boa h THR 1082Cb 1.29 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 2boa h THR 1082CO 0.14 0.10 0.47 0.00 0.37 0.00 0.00 175.52 176.60 2boa h ALA 1083N 1.30 1.08 0.00 6.16 0.00 -1.39 -0.13 119.26 126.29 2boa h ALA 1083Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2boa h ALA 1083Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2boa h ALA 1083CO -0.18 0.19 -0.24 -0.09 0.00 0.00 0.00 179.25 178.92 2boa h ARG 1084N 0.86 0.00 -0.13 0.00 9.65 -1.44 -3.14 114.38 120.17 2boa h ARG 1084Ca 0.35 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2boa h ARG 1084Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2boa h ARG 1084CO -0.18 0.24 -0.36 -0.22 2.80 0.00 0.00 179.97 182.26 2boa h LYS 1085N 0.00 0.47 0.04 0.20 1.63 0.34 -2.91 116.57 116.34 2boa h LYS 1085Ca -0.00 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.48 2boa h LYS 1085Cb 0.90 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 2boa h LYS 1085CO 0.03 0.95 -0.11 0.82 -3.45 0.00 0.00 179.45 177.69 2boa h ILE 1086N 0.07 0.73 0.00 2.00 2.04 -1.25 -1.85 117.51 119.25 2boa h ILE 1086Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2boa h ILE 1086Cb 0.97 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2boa h ILE 1086CO 0.08 0.00 -0.37 -0.37 0.00 0.00 0.00 178.15 177.48 2boa h VAL 1087N -0.21 0.94 0.00 1.67 -1.51 -1.63 -1.74 116.25 113.77 2boa h VAL 1087Ca 0.03 -1.47 -0.05 0.00 -1.23 0.00 0.00 66.70 63.98 2boa h VAL 1087Cb 0.24 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2boa h VAL 1087CO -0.08 0.37 -0.72 0.28 -1.23 0.00 0.00 177.57 176.18 2boa h SER 1088N 0.00 0.00 -0.32 4.19 0.02 -1.45 -3.34 113.55 112.65 2boa h SER 1088Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2boa h SER 1088Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2boa h SER 1088CO 0.05 0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.41 2boa n ASP 1089N -2.93 2.87 -4.74 3.07 9.92 -0.70 -4.84 116.55 119.20 2boa n ASP 1089Ca -0.00 -1.90 -0.40 0.00 -0.53 0.00 0.00 54.79 51.96 2boa n ASP 1089Cb 0.63 -0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.85 2boa n ASP 1089CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2boa s TYR 1090N -1.02 3.74 -0.77 1.24 5.04 -0.67 -1.94 117.35 122.97 2boa s TYR 1090Ca 0.25 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2boa s TYR 1090Cb 0.13 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.60 2boa s TYR 1090CO 0.18 0.25 0.00 0.94 -1.34 0.00 0.00 175.55 175.58 2boa n GLN 1091N 2.87 -0.54 0.15 4.97 -0.06 -1.26 -4.80 117.38 118.71 2boa n GLN 1091Ca -0.02 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 2boa n GLN 1091Cb 0.50 -4.52 0.00 0.00 -4.06 0.00 0.00 30.24 22.16 2boa n GLN 1091CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2boa n ARG 1092N -2.55 0.00 -2.78 3.69 1.74 -1.23 -5.04 116.66 110.49 2boa n ARG 1092Ca -0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 2boa n ARG 1092Cb 0.32 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.73 2boa n ARG 1092CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2boa s ASP 1093N -4.41 7.03 0.57 0.55 2.15 -0.82 -4.96 116.67 116.78 2boa s ASP 1093Ca 0.00 1.27 0.36 0.00 0.43 0.00 0.00 52.55 54.61 2boa s ASP 1093Cb 0.00 -2.50 1.62 0.00 -0.30 0.00 0.00 42.92 41.75 2boa s ASP 1093CO 0.00 -0.51 2.08 -0.65 -0.17 0.00 0.00 175.17 175.92 2boa h PRO 1094N 7.40 0.00 0.01 4.34 0.11 -1.96 -2.12 132.00 139.76 2boa h PRO 1094Ca -0.25 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.73 2boa h PRO 1094Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2boa h PRO 1094CO 0.89 0.02 -0.68 0.00 -0.21 0.00 0.00 178.00 178.02 2boa h ALA 1095N 1.98 0.13 -0.42 -0.75 0.00 -1.93 -2.53 119.26 115.75 2boa h ALA 1095Ca -0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 2boa h ALA 1095Cb 0.38 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2boa h ALA 1095CO 0.00 0.38 -0.13 0.97 0.00 0.00 0.00 179.25 180.47 2boa h ILE 1096N -0.96 1.26 -0.05 0.00 6.09 -1.86 0.19 117.51 122.17 2boa h ILE 1096Ca -0.18 -1.19 0.03 0.00 -1.37 0.00 0.00 64.86 62.15 2boa h ILE 1096Cb 1.19 1.07 -0.04 0.00 0.47 0.00 0.00 36.82 39.51 2boa h ILE 1096CO -0.10 0.41 -0.20 0.74 -3.07 0.00 0.00 178.15 175.92 2boa h THR 1097N 0.69 0.51 -0.10 2.19 2.02 -1.52 -1.11 112.91 115.59 2boa h THR 1097Ca 0.11 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 2boa h THR 1097Cb 0.61 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2boa h THR 1097CO 0.04 0.00 -0.17 -1.28 0.37 0.00 0.00 175.52 174.48 2boa h SER 1098N -0.30 0.16 -0.25 4.18 0.87 -1.26 -2.23 113.55 114.72 2boa h SER 1098Ca 0.07 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2boa h SER 1098Cb 0.40 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2boa h SER 1098CO -0.22 0.35 0.04 0.40 -0.53 0.00 0.00 176.83 176.86 2boa h ILE 1099N 0.16 1.23 0.00 2.23 2.04 -0.24 -3.18 117.51 119.75 2boa h ILE 1099Ca 0.03 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2boa h ILE 1099Cb 0.41 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2boa h ILE 1099CO 0.03 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.35 2boa h LEU 1100N 0.21 0.00 -0.65 1.44 3.38 -0.91 0.14 115.31 118.92 2boa h LEU 1100Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2boa h LEU 1100Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2boa h LEU 1100CO 0.01 0.00 -0.61 -0.33 0.09 0.00 0.00 178.44 177.59 2boa h GLU 1101N 0.00 0.23 0.00 1.13 5.08 -1.39 -3.32 114.58 116.31 2boa h GLU 1101Ca 0.00 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 2boa h GLU 1101Cb 0.56 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2boa h GLU 1101CO 0.00 0.77 -2.03 1.63 -1.00 0.00 0.00 179.01 178.38 2boa n LYS 1102N -3.86 0.92 -4.14 2.33 4.76 -0.89 -4.95 118.16 112.33 2boa n LYS 1102Ca -0.02 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 2boa n LYS 1102Cb 0.62 -1.44 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 2boa n LYS 1102CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2boa s MET 1103N -2.80 0.76 0.04 1.97 -1.94 -0.02 -4.46 119.30 112.85 2boa s MET 1103Ca -0.08 -1.31 -0.12 0.00 -1.71 0.00 0.00 55.69 52.48 2boa s MET 1103Cb 0.08 0.03 -0.06 0.00 2.01 0.00 0.00 34.83 36.89 2boa s MET 1103CO 0.73 -0.10 0.39 -0.51 -0.01 0.00 0.00 175.02 175.53 2boa s ASP 1104N -3.00 6.70 -0.14 3.03 1.11 -0.54 -4.25 116.67 119.58 2boa s ASP 1104Ca 0.12 0.85 -0.00 0.00 0.18 0.00 0.00 52.55 53.70 2boa s ASP 1104Cb 0.07 -2.20 -0.01 0.00 1.07 0.00 0.00 42.92 41.84 2boa s ASP 1104CO -0.06 0.24 -0.13 -0.63 1.18 0.00 0.00 175.17 175.77 2boa s ILE 1105N -1.26 2.95 -0.21 0.77 1.01 -0.44 -1.06 121.20 122.95 2boa s ILE 1105Ca 0.29 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 2boa s ILE 1105Cb -0.15 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 2boa s ILE 1105CO 0.16 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.20 2boa s PHE 1106N 0.49 2.94 -0.17 3.97 0.08 -0.61 0.11 117.98 124.79 2boa s PHE 1106Ca -0.09 -0.93 -0.00 0.00 0.12 0.00 0.00 56.93 56.02 2boa s PHE 1106Cb -0.16 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 2boa s PHE 1106CO 0.04 -0.52 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.33 2boa s LEU 1107N 1.36 2.48 -0.50 -0.37 2.96 0.14 -0.75 118.68 124.00 2boa s LEU 1107Ca 0.04 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2boa s LEU 1107Cb -0.14 -1.58 0.13 0.00 0.50 0.00 0.00 46.19 45.10 2boa s LEU 1107CO -0.03 0.05 0.26 -0.22 -1.32 0.00 0.00 176.35 175.09 2boa s LEU 1108N 1.02 4.81 0.25 -0.68 2.96 0.67 -0.27 118.68 127.44 2boa s LEU 1108Ca -0.01 -2.65 -0.05 0.00 -0.22 0.00 0.00 54.13 51.20 2boa s LEU 1108Cb -0.15 -1.73 0.30 0.00 0.50 0.00 0.00 46.19 45.12 2boa s LEU 1108CO -0.03 -0.35 1.92 -0.65 -1.32 0.00 0.00 176.35 175.92 2boa h PRO 1109N 7.11 1.28 -3.07 0.98 0.11 -1.82 0.51 132.00 137.10 2boa h PRO 1109Ca -0.06 -0.08 -0.62 0.00 0.11 0.00 0.00 66.00 65.35 2boa h PRO 1109Cb 0.96 -0.29 -0.40 0.00 0.11 0.00 0.00 31.00 31.38 2boa h PRO 1109CO 0.66 0.85 -0.71 0.08 -0.21 0.00 0.00 178.00 178.67 2boa s VAL 1110N -6.10 1.70 -0.59 3.15 1.01 -1.24 -4.11 120.40 114.23 2boa s VAL 1110Ca -0.13 -2.78 0.24 0.00 0.00 0.00 0.00 61.98 59.30 2boa s VAL 1110Cb 0.19 -2.19 0.25 0.00 0.00 0.00 0.00 36.38 34.63 2boa s VAL 1110CO 0.82 -0.88 1.71 0.00 0.00 0.00 0.00 175.10 176.75 2boa n ALA 1111N 3.39 1.81 -3.43 5.51 0.00 0.74 -4.22 120.51 124.31 2boa n ALA 1111Ca 0.08 0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 2boa n ALA 1111Cb 0.34 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2boa n ALA 1111CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2boa n ASN 1112N -2.17 0.81 0.16 0.00 5.15 -0.86 -4.80 115.26 113.54 2boa n ASN 1112Ca 0.03 -2.74 0.02 0.00 -0.60 0.00 0.00 54.58 51.30 2boa n ASN 1112Cb 0.27 -0.63 0.22 0.00 -0.53 0.00 0.00 39.78 39.11 2boa n ASN 1112CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2boa h PRO 1113N 4.96 0.00 -0.20 1.20 0.11 -1.87 -2.07 132.00 134.14 2boa h PRO 1113Ca 0.18 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 2boa h PRO 1113Cb 0.84 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.96 2boa h PRO 1113CO 0.51 0.52 -0.70 -0.44 -0.21 0.00 0.00 178.00 177.68 2boa h ASP 1114N 0.00 0.94 -0.55 -2.05 3.32 -1.95 -2.47 116.42 113.66 2boa h ASP 1114Ca -0.01 -0.58 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 2boa h ASP 1114Cb 1.08 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 2boa h ASP 1114CO 0.07 1.37 0.14 1.23 -1.72 0.00 0.00 179.24 180.33 2boa h GLY 1115N 0.64 1.00 0.74 2.75 0.00 -1.75 0.16 103.07 106.61 2boa h GLY 1115Ca -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2boa h GLY 1115CO 0.15 0.56 -0.06 -1.82 0.00 0.00 0.00 176.54 175.37 2boa h TYR 1116N 0.89 -0.15 -0.15 5.60 3.20 -1.34 0.11 116.97 125.13 2boa h TYR 1116Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2boa h TYR 1116Cb 0.33 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 2boa h TYR 1116CO 0.02 0.13 -0.18 0.28 -1.64 0.00 0.00 178.16 176.77 2boa h VAL 1117N -0.42 0.53 -1.00 1.81 2.07 -1.45 -1.40 116.25 116.39 2boa h VAL 1117Ca -0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.72 2boa h VAL 1117Cb 0.34 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 2boa h VAL 1117CO 0.03 0.00 0.61 0.22 0.02 0.00 0.00 177.57 178.45 2boa h TYR 1118N -0.22 0.98 -0.01 1.57 3.20 -0.78 -0.74 116.97 120.96 2boa h TYR 1118Ca 0.10 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 2boa h TYR 1118Cb 0.37 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2boa h TYR 1118CO -0.30 0.15 -0.48 1.79 -1.64 0.00 0.00 178.16 177.68 2boa h THR 1119N 0.64 1.35 -0.00 1.81 1.35 0.23 0.20 112.91 118.49 2boa h THR 1119Ca 0.60 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2boa h THR 1119Cb 1.10 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2boa h THR 1119CO -0.39 0.48 -0.18 0.00 -0.25 0.00 0.00 175.52 175.17 2boa n GLN 1120N -3.96 0.34 0.00 4.72 6.02 -0.36 -3.35 117.38 120.79 2boa n GLN 1120Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2boa n GLN 1120Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.27 2boa n GLN 1120CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2boa n THR 1121N -1.22 0.00 0.00 5.09 -2.24 -0.76 -4.98 114.28 110.16 2boa n THR 1121Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2boa n THR 1121Cb 0.31 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2boa n THR 1121CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2boa n GLN 1122N -1.05 0.05 -3.15 -0.78 -0.06 0.57 -4.76 117.38 108.21 2boa n GLN 1122Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 2boa n GLN 1122Cb 0.14 -0.72 -0.00 0.00 -4.06 0.00 0.00 30.24 25.60 2boa n GLN 1122CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2boa s ASN 1123N -3.40 -1.46 0.61 1.69 3.84 -0.50 -0.97 114.94 114.75 2boa s ASN 1123Ca 0.00 0.40 0.38 0.00 0.21 0.00 0.00 52.86 53.85 2boa s ASN 1123Cb 0.00 2.02 1.97 0.00 -0.55 0.00 0.00 41.25 44.68 2boa s ASN 1123CO 0.00 -0.27 2.23 -0.09 -2.79 0.00 0.00 177.10 176.18 2boa h ARG 1124N 7.96 0.00 -0.53 0.43 9.65 -1.79 -2.46 114.38 127.64 2boa h ARG 1124Ca -0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2boa h ARG 1124Cb 1.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2boa h ARG 1124CO 0.16 0.02 0.00 1.28 2.80 0.00 0.00 179.97 184.24 2boa n LEU 1125N -3.27 3.51 -4.76 3.80 4.32 -1.26 -4.53 117.00 114.81 2boa n LEU 1125Ca -0.02 -1.85 -0.41 0.00 -0.02 0.00 0.00 56.01 53.71 2boa n LEU 1125Cb 0.15 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.58 2boa n LEU 1125CO 0.24 0.85 0.96 0.86 -1.22 0.00 0.00 177.39 179.08 2boa s TRP 1126N -1.10 3.14 0.00 -1.77 -0.11 -0.93 -4.86 118.94 113.31 2boa s TRP 1126Ca 0.39 1.42 0.00 0.00 1.22 0.00 0.00 56.10 59.12 2boa s TRP 1126Cb 0.21 -3.63 0.00 0.00 -1.50 0.00 0.00 33.47 28.55 2boa s TRP 1126CO 0.28 -1.73 0.00 2.89 -4.62 0.00 0.00 176.95 173.77 2boa n ARG 1127N 1.09 2.13 -0.80 5.86 1.85 -1.26 -2.23 116.66 123.30 2boa n ARG 1127Ca 0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2boa n ARG 1127Cb 0.42 -0.94 0.10 0.00 -1.05 0.00 0.00 32.46 30.99 2boa n ARG 1127CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2boa n LYS 1128N -1.58 -0.83 -0.69 2.89 5.02 -1.26 -3.06 118.16 118.65 2boa n LYS 1128Ca 0.00 -0.92 -0.12 0.00 -2.02 0.00 0.00 58.31 55.25 2boa n LYS 1128Cb 0.22 -0.65 0.09 0.00 -0.02 0.00 0.00 35.03 34.68 2boa n LYS 1128CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2boa n THR 1129N -2.97 0.00 -1.48 -0.18 -2.24 -0.39 -4.46 114.28 102.56 2boa n THR 1129Ca 0.07 -0.35 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 2boa n THR 1129Cb 0.26 -1.60 0.18 0.00 -2.10 0.00 0.00 70.33 67.08 2boa n THR 1129CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2boa n ARG 1130N -2.38 1.99 -2.25 -0.78 5.12 -1.26 -4.21 116.66 112.90 2boa n ARG 1130Ca 0.07 -3.25 -0.38 0.00 -1.93 0.00 0.00 57.85 52.36 2boa n ARG 1130Cb 0.24 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 29.64 2boa n ARG 1130CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2boa s SER 1131N -2.51 6.26 -0.52 0.55 1.04 -1.26 -4.63 113.70 112.64 2boa s SER 1131Ca 0.47 2.34 -0.17 0.00 0.48 0.00 0.00 55.95 59.07 2boa s SER 1131Cb 0.42 -2.61 0.08 0.00 0.10 0.00 0.00 66.02 64.01 2boa s SER 1131CO 0.00 -0.86 0.54 -0.60 0.98 0.00 0.00 173.24 173.30 2boa s ARG 1132N -2.56 3.03 -0.43 4.02 6.06 -1.26 0.75 118.95 128.55 2boa s ARG 1132Ca 0.62 -1.28 -0.29 0.00 -2.50 0.00 0.00 55.73 52.27 2boa s ARG 1132Cb -0.30 -4.18 0.01 0.00 0.06 0.00 0.00 34.95 30.55 2boa s ARG 1132CO 0.37 -1.23 1.37 -0.80 -2.50 0.00 0.00 175.30 172.51 2boa s ASN 1133N 3.00 6.36 0.19 -2.12 0.01 -1.22 -4.87 114.94 116.30 2boa s ASN 1133Ca 0.08 0.73 0.13 0.00 -0.71 0.00 0.00 52.86 53.10 2boa s ASN 1133Cb -0.24 -2.54 0.72 0.00 0.41 0.00 0.00 41.25 39.60 2boa s ASN 1133CO 0.07 -1.43 1.41 -0.81 -1.51 0.00 0.00 177.10 174.83 2boa n PRO 1134N 8.09 0.09 -0.33 -0.60 -0.04 -1.26 -0.19 135.00 140.76 2boa n PRO 1134Ca 0.16 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.27 2boa n PRO 1134Cb 0.48 -1.78 0.19 0.00 -0.04 0.00 0.00 33.50 32.36 2boa n PRO 1134CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2boa n GLY 1135N -1.33 4.62 3.23 0.55 0.00 -1.26 -5.05 105.19 105.95 2boa n GLY 1135Ca -0.01 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2boa n GLY 1135CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2boa s SER 1136N -2.55 -0.01 0.00 1.61 0.15 0.73 -5.03 113.70 108.60 2boa s SER 1136Ca 0.37 -0.42 0.27 0.00 0.70 0.00 0.00 55.95 56.88 2boa s SER 1136Cb 0.32 0.35 0.81 0.00 -1.71 0.00 0.00 66.02 65.79 2boa s SER 1136CO 0.04 -0.67 1.62 -1.54 1.20 0.00 0.00 173.24 173.88 2boa n SER 1137N 0.27 0.43 -4.82 5.45 3.41 -1.26 -4.45 113.62 112.65 2boa n SER 1137Ca -0.17 -0.18 -0.34 0.00 -0.26 0.00 0.00 58.87 57.92 2boa n SER 1137Cb 0.61 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2boa n SER 1137CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2boa s ILE 1139N -2.02 3.57 0.00 0.00 1.09 -1.26 -3.42 121.20 119.16 2boa s ILE 1139Ca 0.58 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 2boa s ILE 1139Cb -0.11 -2.51 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 2boa s ILE 1139CO 0.16 0.54 0.00 0.61 -0.10 0.00 0.00 174.94 176.15 2boa n GLY 1140N 3.08 0.30 3.37 6.18 0.00 0.23 -4.86 105.19 113.49 2boa n GLY 1140Ca -0.18 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 2boa n GLY 1140CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2boa s ALA 1141N -2.92 2.19 -0.39 4.61 0.00 -1.26 -4.83 121.76 119.16 2boa s ALA 1141Ca 0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.00 2boa s ALA 1141Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 2boa s ALA 1141CO 0.00 0.15 1.60 0.34 0.00 0.00 0.00 175.76 177.85 2boa s ASP 1142N -3.23 6.09 0.35 0.00 -1.08 0.35 -1.27 116.67 117.88 2boa s ASP 1142Ca 0.23 0.99 0.07 0.00 -0.52 0.00 0.00 52.55 53.32 2boa s ASP 1142Cb -0.03 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.65 2boa s ASP 1142CO 0.09 -1.61 1.90 -0.65 0.52 0.00 0.00 175.17 175.42 2boa h PRO 1143N 11.85 0.74 -0.62 4.34 0.11 -1.87 0.07 132.00 146.61 2boa h PRO 1143Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2boa h PRO 1143Cb 1.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2boa h PRO 1143CO 1.07 0.49 0.00 -1.71 -0.21 0.00 0.00 178.00 177.64 2boa n ASN 1144N -4.52 1.97 0.00 -2.05 5.15 -1.26 -2.72 115.26 111.83 2boa n ASN 1144Ca 0.15 -2.17 0.00 0.00 -0.60 0.00 0.00 54.58 51.95 2boa n ASN 1144Cb 0.36 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 2boa n ASN 1144CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2boa n ARG 1145N 0.18 0.52 -0.01 1.20 3.00 -0.00 -3.56 116.66 117.99 2boa n ARG 1145Ca 0.08 -0.74 0.11 0.00 -0.01 0.00 0.00 57.85 57.29 2boa n ARG 1145Cb 0.41 -0.87 -0.16 0.00 0.00 0.00 0.00 32.46 31.83 2boa n ARG 1145CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2boa n ASN 1146N -0.16 0.18 -4.73 0.55 2.85 -1.07 -4.51 115.26 108.36 2boa n ASN 1146Ca 0.00 -0.14 -0.34 0.00 -0.11 0.00 0.00 54.58 53.99 2boa n ASN 1146Cb 0.17 1.85 0.08 0.00 1.24 0.00 0.00 39.78 43.12 2boa n ASN 1146CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2boa s TRP 1147N -3.43 2.19 -1.26 1.20 0.52 -0.71 -0.41 118.94 117.05 2boa s TRP 1147Ca -0.06 1.58 -0.16 0.00 0.02 0.00 0.00 56.10 57.48 2boa s TRP 1147Cb 0.14 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 29.01 2boa s TRP 1147CO 0.90 -2.41 2.17 -1.71 0.02 0.00 0.00 176.95 175.91 2boa n ASN 1148N -2.52 3.67 -3.36 2.95 5.15 -1.26 -4.38 115.26 115.51 2boa n ASN 1148Ca 0.13 -2.78 -0.14 0.00 -0.60 0.00 0.00 54.58 51.19 2boa n ASN 1148Cb 0.50 -1.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.19 2boa n ASN 1148CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2boa s ALA 1149N 3.68 -0.75 -1.68 5.20 0.00 -1.26 -4.83 121.76 122.12 2boa s ALA 1149Ca 0.51 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2boa s ALA 1149Cb 0.14 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.44 2boa s ALA 1149CO -0.03 -1.77 0.42 0.45 0.00 0.00 0.00 175.76 174.83 2boa n SER 1150N 5.24 -1.00 -4.61 0.00 2.88 -1.26 -0.82 113.62 114.06 2boa n SER 1150Ca 0.00 -1.18 -0.41 0.00 -1.33 0.00 0.00 58.87 55.95 2boa n SER 1150Cb 0.47 -2.02 0.02 0.00 -0.75 0.00 0.00 64.21 61.93 2boa n SER 1150CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2boa n PHE 1151N -4.34 1.07 -2.71 0.66 7.35 -1.26 -2.10 117.46 116.13 2boa n PHE 1151Ca -0.09 0.54 -0.19 0.00 -0.76 0.00 0.00 57.45 56.95 2boa n PHE 1151Cb 0.57 -2.21 0.00 0.00 0.35 0.00 0.00 39.48 38.19 2boa n PHE 1151CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2boa n ALA 1152N -0.66 -0.83 -1.51 3.13 0.00 -1.26 -4.99 120.51 114.39 2boa n ALA 1152Ca 0.10 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2boa n ALA 1152Cb 0.40 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2boa n ALA 1152CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2boa n GLY 1153N -1.10 1.26 3.85 0.00 0.00 -0.89 -5.01 105.19 103.31 2boa n GLY 1153Ca -0.15 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 2boa n GLY 1153CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2boa s LYS 1154N 2.46 3.84 0.00 1.61 -2.85 -1.26 -4.04 119.74 119.50 2boa s LYS 1154Ca 0.00 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 55.86 2boa s LYS 1154Cb 0.00 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 2boa s LYS 1154CO 0.00 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.50 2boa n GLY 1155N -1.94 0.54 3.42 0.59 0.00 -1.19 -0.68 105.19 105.93 2boa n GLY 1155Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2boa n GLY 1155CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2boa s ALA 1156N -2.44 2.47 0.11 4.61 0.00 -1.26 -4.70 121.76 120.56 2boa s ALA 1156Ca 0.00 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.35 2boa s ALA 1156Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2boa s ALA 1156CO 0.00 0.31 -0.23 0.45 0.00 0.00 0.00 175.76 176.29 2boa s SER 1157N -3.04 3.55 -0.10 0.00 0.15 -0.77 -4.93 113.70 108.56 2boa s SER 1157Ca 0.23 -0.64 0.14 0.00 0.70 0.00 0.00 55.95 56.39 2boa s SER 1157Cb -0.06 -0.38 0.58 0.00 -1.71 0.00 0.00 66.02 64.46 2boa s SER 1157CO 0.11 0.19 1.45 -0.90 1.20 0.00 0.00 173.24 175.29 2boa n ASP 1158N 1.01 3.97 -4.57 5.45 5.75 -1.26 -1.65 116.55 125.25 2boa n ASP 1158Ca -0.17 -2.39 -0.42 0.00 -0.01 0.00 0.00 54.79 51.80 2boa n ASP 1158Cb 0.53 -0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2boa n ASP 1158CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2boa s ASN 1159N -0.79 6.42 0.55 -1.12 2.47 -1.26 -4.96 114.94 116.26 2boa s ASN 1159Ca 0.41 0.11 0.27 0.00 0.42 0.00 0.00 52.86 54.07 2boa s ASN 1159Cb 0.27 -2.33 1.46 0.00 -1.45 0.00 0.00 41.25 39.20 2boa s ASN 1159CO 0.19 -0.62 1.97 -0.65 -3.72 0.00 0.00 177.10 174.26 2boa h PRO 1160N 8.51 0.00 0.00 0.43 0.11 -1.92 -0.36 132.00 138.77 2boa h PRO 1160Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2boa h PRO 1160Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2boa h PRO 1160CO 0.85 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.64 2boa s SER 1162N -4.82 6.68 0.45 0.00 0.15 -0.14 -4.95 113.70 111.07 2boa s SER 1162Ca 0.08 2.14 0.31 0.00 0.70 0.00 0.00 55.95 59.18 2boa s SER 1162Cb 0.10 -2.60 1.31 0.00 -1.71 0.00 0.00 66.02 63.13 2boa s SER 1162CO 0.56 -0.55 1.91 -0.33 1.20 0.00 0.00 173.24 176.02 2boa h GLU 1163N 2.56 0.00 -0.25 5.44 4.39 -1.88 -2.79 114.58 122.05 2boa h GLU 1163Ca -0.48 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 2boa h GLU 1163Cb 1.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2boa h GLU 1163CO 0.62 0.00 -0.01 1.33 -1.16 0.00 0.00 179.01 179.79 2boa n VAL 1164N -2.77 2.31 -1.67 3.13 0.24 -1.26 -4.49 118.33 113.81 2boa n VAL 1164Ca 0.01 -2.12 -0.43 0.00 -2.04 0.00 0.00 64.34 59.76 2boa n VAL 1164Cb 0.25 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 2boa n VAL 1164CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2boa n TYR 1165N -0.76 2.53 0.28 6.34 9.36 -1.05 -1.84 117.16 132.01 2boa n TYR 1165Ca 0.24 -0.24 0.15 0.00 3.32 0.00 0.00 57.90 61.36 2boa n TYR 1165Cb 0.90 -2.76 0.48 0.00 -0.63 0.00 0.00 39.34 37.33 2boa n TYR 1165CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2boa h HIS 1166N 9.58 0.00 0.00 2.98 2.07 -1.57 0.10 115.15 128.30 2boa h HIS 1166Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2boa h HIS 1166Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2boa h HIS 1166CO 0.88 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 176.15 2boa n GLY 1167N 0.46 1.70 0.23 6.13 0.00 -1.26 -4.02 105.19 108.43 2boa n GLY 1167Ca 0.02 -1.97 0.10 0.00 0.00 0.00 0.00 46.02 44.17 2boa n GLY 1167CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2boa h PRO 1168N 0.00 0.00 -3.09 1.61 0.13 -1.97 -3.46 132.00 125.21 2boa h PRO 1168Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2boa h PRO 1168Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2boa h PRO 1168CO 0.00 0.22 0.17 -3.38 -0.23 0.00 0.00 178.00 174.77 2boa s HIS 1169N -3.85 -0.23 0.28 1.56 -3.43 -1.26 -5.09 115.29 103.27 2boa s HIS 1169Ca -0.01 -0.14 -0.30 0.00 -0.80 0.00 0.00 55.06 53.81 2boa s HIS 1169Cb 0.11 0.58 -0.13 0.00 -1.43 0.00 0.00 32.58 31.72 2boa s HIS 1169CO 0.63 -1.07 1.44 0.00 -2.00 0.00 0.00 174.74 173.74 2boa n ALA 1170N -0.41 1.59 -1.82 -1.38 0.00 -1.26 -1.99 120.51 115.23 2boa n ALA 1170Ca -0.08 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 2boa n ALA 1170Cb 0.61 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 2boa n ALA 1170CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2boa n ASN 1171N 1.89 -4.90 -0.07 0.00 3.02 0.46 -4.87 115.26 110.79 2boa n ASN 1171Ca 0.09 0.31 -0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2boa n ASN 1171Cb 0.34 -4.29 0.28 0.00 -0.61 0.00 0.00 39.78 35.50 2boa n ASN 1171CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2boa h SER 1172N 0.00 0.62 -2.96 6.41 4.64 -1.63 -3.36 113.55 117.27 2boa h SER 1172Ca -0.39 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 2boa h SER 1172Cb 1.22 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 2boa h SER 1172CO 0.53 0.59 0.95 -1.61 -0.87 0.00 0.00 176.83 176.41 2boa s GLU 1173N -5.24 4.11 0.50 4.77 0.41 -1.26 -4.89 118.70 117.09 2boa s GLU 1173Ca -0.09 1.56 0.23 0.00 -0.41 0.00 0.00 54.97 56.27 2boa s GLU 1173Cb 0.16 -3.83 1.33 0.00 -1.78 0.00 0.00 34.13 30.01 2boa s GLU 1173CO 0.77 -0.87 2.05 -0.39 -0.49 0.00 0.00 175.26 176.33 2boa h VAL 1174N 5.68 0.74 -0.88 2.63 -1.51 -1.88 0.23 116.25 121.26 2boa h VAL 1174Ca -0.27 -0.55 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2boa h VAL 1174Cb 1.11 1.33 -0.04 0.00 -2.13 0.00 0.00 31.29 31.56 2boa h VAL 1174CO 0.99 0.14 0.51 -0.33 -1.23 0.00 0.00 177.57 177.65 2boa h GLU 1175N 0.00 1.21 0.00 5.19 3.07 -1.91 -0.23 114.58 121.92 2boa h GLU 1175Ca -0.00 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 2boa h GLU 1175Cb 0.32 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2boa h GLU 1175CO 0.02 0.86 -0.18 0.28 -1.40 0.00 0.00 179.01 178.58 2boa h VAL 1176N 1.22 1.58 -0.55 3.13 2.07 -0.94 -3.16 116.25 119.59 2boa h VAL 1176Ca 0.31 -1.94 0.09 0.00 0.82 0.00 0.00 66.70 65.98 2boa h VAL 1176Cb -0.02 2.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 2boa h VAL 1176CO -0.06 0.52 0.16 0.50 0.02 0.00 0.00 177.57 178.71 2boa h LYS 1177N -0.59 0.30 -0.80 1.57 1.63 -1.20 0.25 116.57 117.73 2boa h LYS 1177Ca -0.02 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.93 2boa h LYS 1177Cb 0.96 -0.07 -0.11 0.00 -0.60 0.00 0.00 32.23 32.41 2boa h LYS 1177CO 0.04 0.20 0.31 0.77 -3.45 0.00 0.00 179.45 177.32 2boa h SER 1178N 0.31 0.25 0.09 4.20 0.02 -1.10 0.29 113.55 117.61 2boa h SER 1178Ca 0.28 0.13 -0.24 0.00 -0.84 0.00 0.00 61.79 61.12 2boa h SER 1178Cb 0.36 0.12 0.02 0.00 0.14 0.00 0.00 62.40 63.05 2boa h SER 1178CO -0.32 0.05 -0.99 0.58 -1.14 0.00 0.00 176.83 175.01 2boa h VAL 1179N 0.40 1.37 -0.45 2.27 2.07 -1.25 -2.00 116.25 118.67 2boa h VAL 1179Ca 0.46 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.64 2boa h VAL 1179Cb 0.78 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 2boa h VAL 1179CO -0.47 0.70 0.30 0.58 0.02 0.00 0.00 177.57 178.71 2boa h VAL 1180N 0.05 1.04 0.11 2.57 2.07 -0.04 -1.48 116.25 120.56 2boa h VAL 1180Ca -0.15 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.03 2boa h VAL 1180Cb 1.71 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2boa h VAL 1180CO 0.19 0.09 -0.76 0.44 0.02 0.00 0.00 177.57 177.55 2boa h ASP 1181N 0.49 0.47 -0.13 0.57 3.32 -0.46 -2.88 116.42 117.80 2boa h ASP 1181Ca 0.18 -0.92 0.01 0.00 0.02 0.00 0.00 57.03 56.32 2boa h ASP 1181Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2boa h ASP 1181CO -0.05 1.35 0.05 0.15 -1.72 0.00 0.00 179.24 179.03 2boa h PHE 1182N -0.33 0.10 -0.12 4.55 3.57 -1.01 -1.23 116.94 122.46 2boa h PHE 1182Ca -0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2boa h PHE 1182Cb 1.57 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 2boa h PHE 1182CO 0.19 0.05 0.05 0.82 -2.23 0.00 0.00 178.31 177.20 2boa h ILE 1183N 0.12 1.13 -0.10 1.41 2.04 -1.37 -0.92 117.51 119.83 2boa h ILE 1183Ca 0.05 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 2boa h ILE 1183Cb 0.02 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2boa h ILE 1183CO -0.04 0.12 -0.42 1.56 0.00 0.00 0.00 178.15 179.37 2boa h GLN 1184N 0.06 0.23 -0.17 2.37 4.20 -1.50 -0.44 115.11 119.86 2boa h GLN 1184Ca 0.04 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2boa h GLN 1184Cb 0.14 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2boa h GLN 1184CO -0.00 0.61 0.08 -0.22 -0.67 0.00 0.00 178.83 178.62 2boa h LYS 1185N 0.19 0.25 0.59 1.46 3.11 -1.05 -3.26 116.57 117.86 2boa h LYS 1185Ca 0.02 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 2boa h LYS 1185Cb 0.82 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2boa h LYS 1185CO 0.06 0.30 -0.41 1.25 -2.81 0.00 0.00 179.45 177.85 2boa h HIS 1186N 0.13 -1.10 0.00 1.91 2.76 -0.79 -3.47 115.15 114.59 2boa h HIS 1186Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2boa h HIS 1186Cb 0.14 0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2boa h HIS 1186CO -0.02 -0.60 0.00 0.41 -1.30 0.00 0.00 177.93 176.41 2boa n GLY 1187N -1.53 1.21 2.53 5.26 0.00 -0.21 -4.92 105.19 107.53 2boa n GLY 1187Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2boa n GLY 1187CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2boa n ASN 1188N 0.00 2.92 -4.75 1.61 5.15 -1.26 -5.06 115.26 113.87 2boa n ASN 1188Ca 0.00 -2.92 -0.39 0.00 -0.60 0.00 0.00 54.58 50.67 2boa n ASN 1188Cb 0.00 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.74 2boa n ASN 1188CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2boa s PHE 1189N -3.54 3.68 -0.11 1.20 0.40 -1.26 -1.45 117.98 116.90 2boa s PHE 1189Ca 0.37 1.28 0.09 0.00 -0.60 0.00 0.00 56.93 58.07 2boa s PHE 1189Cb 0.39 -2.70 -0.13 0.00 0.51 0.00 0.00 43.02 41.09 2boa s PHE 1189CO -0.03 0.28 0.03 1.63 0.70 0.00 0.00 175.22 177.83 2boa n LYS 1190N 2.95 2.14 -4.25 0.44 4.76 0.27 -4.51 118.16 119.96 2boa n LYS 1190Ca -0.05 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.21 2boa n LYS 1190Cb 0.51 -1.28 -0.13 0.00 -1.84 0.00 0.00 35.03 32.29 2boa n LYS 1190CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2boa s GLY 1191N -4.38 0.72 -0.19 0.72 0.00 -0.89 -2.93 107.32 100.38 2boa s GLY 1191Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 2boa s GLY 1191CO 0.44 -0.81 0.28 -0.12 0.00 0.00 0.00 173.10 172.89 2boa s PHE 1192N -0.98 -0.48 -0.16 1.90 2.19 -0.82 0.44 117.98 120.07 2boa s PHE 1192Ca -0.01 0.69 0.00 0.00 0.33 0.00 0.00 56.93 57.94 2boa s PHE 1192Cb -0.08 -0.13 0.03 0.00 -1.31 0.00 0.00 43.02 41.53 2boa s PHE 1192CO 0.01 -0.54 -0.10 0.42 1.83 0.00 0.00 175.22 176.84 2boa s ILE 1193N 2.42 1.41 -0.23 3.12 1.01 0.99 -1.35 121.20 128.58 2boa s ILE 1193Ca 0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 2boa s ILE 1193Cb -0.14 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2boa s ILE 1193CO -0.12 0.30 0.20 -0.62 0.00 0.00 0.00 174.94 174.70 2boa s ASP 1194N 1.53 6.17 -0.27 3.58 2.15 0.24 -2.08 116.67 127.98 2boa s ASP 1194Ca 0.02 0.18 -0.07 0.00 0.43 0.00 0.00 52.55 53.11 2boa s ASP 1194Cb -0.14 -2.13 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2boa s ASP 1194CO -0.09 0.04 0.07 -0.76 -0.17 0.00 0.00 175.17 174.27 2boa s LEU 1195N 1.09 3.61 0.00 -1.34 1.43 -0.56 -0.22 118.68 122.69 2boa s LEU 1195Ca 0.09 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2boa s LEU 1195Cb -0.14 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2boa s LEU 1195CO 0.05 -0.11 0.01 1.41 0.23 0.00 0.00 176.35 177.93 2boa n HIS 1196N 4.90 0.49 -3.51 0.29 8.25 0.10 -3.48 115.22 122.26 2boa n HIS 1196Ca -0.15 -1.13 -0.13 0.00 -0.26 0.00 0.00 57.72 56.04 2boa n HIS 1196Cb 0.50 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 2boa n HIS 1196CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2boa s SER 1197N -2.25 -0.49 0.39 0.41 1.04 -1.26 -1.01 113.70 110.53 2boa s SER 1197Ca 0.01 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.63 2boa s SER 1197Cb 0.00 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 2boa s SER 1197CO 0.01 -0.82 0.01 -0.72 0.98 0.00 0.00 173.24 172.69 2boa s TYR 1198N -2.97 2.51 0.00 5.02 1.13 -1.26 -4.87 117.35 116.91 2boa s TYR 1198Ca -0.02 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 2boa s TYR 1198Cb -0.00 -1.71 0.00 0.00 -1.10 0.00 0.00 41.96 39.15 2boa s TYR 1198CO -0.06 0.45 0.00 0.43 -2.51 0.00 0.00 175.55 173.86 2boa n SER 1199N -0.96 0.00 -3.04 -0.18 7.64 0.09 -4.84 113.62 112.32 2boa n SER 1199Ca -0.05 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 2boa n SER 1199Cb 0.66 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.92 2boa n SER 1199CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2boa n GLN 1200N 0.00 -2.59 -4.46 1.43 6.02 -0.82 -4.68 117.38 112.29 2boa n GLN 1200Ca 0.00 0.76 -0.24 0.00 -0.01 0.00 0.00 57.00 57.50 2boa n GLN 1200Cb 0.00 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 25.84 2boa n GLN 1200CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2boa s LEU 1201N -5.20 2.56 -0.21 1.08 1.43 -0.18 -2.37 118.68 115.79 2boa s LEU 1201Ca 0.34 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2boa s LEU 1201Cb -0.04 -1.10 0.08 0.00 0.03 0.00 0.00 46.19 45.16 2boa s LEU 1201CO 0.64 0.05 0.13 -0.22 0.23 0.00 0.00 176.35 177.18 2boa s LEU 1202N -3.36 0.27 0.22 1.79 2.96 -0.60 -0.28 118.68 119.67 2boa s LEU 1202Ca 0.28 -0.68 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2boa s LEU 1202Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 2boa s LEU 1202CO 0.14 -0.37 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.64 2boa s MET 1203N 2.18 1.38 0.23 1.98 -1.94 0.60 -2.88 119.30 120.85 2boa s MET 1203Ca 0.05 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 2boa s MET 1203Cb -0.16 -1.13 -0.05 0.00 2.01 0.00 0.00 34.83 35.51 2boa s MET 1203CO -0.16 0.15 0.11 1.52 -0.01 0.00 0.00 175.02 176.63 2boa s TYR 1204N -2.98 1.36 0.73 -0.03 1.13 -1.12 -0.12 117.35 116.31 2boa s TYR 1204Ca 0.24 -1.27 -0.16 0.00 -1.41 0.00 0.00 57.07 54.47 2boa s TYR 1204Cb 0.00 -0.74 0.03 0.00 -1.10 0.00 0.00 41.96 40.15 2boa s TYR 1204CO 0.08 -0.47 1.19 -2.30 -2.51 0.00 0.00 175.55 171.54 2boa n PRO 1205N -0.37 0.62 -2.98 -3.49 -0.02 -1.26 -1.99 135.00 125.51 2boa n PRO 1205Ca 0.01 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.57 2boa n PRO 1205Cb 0.66 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2boa n PRO 1205CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2boa s TYR 1206N -1.76 1.53 0.00 6.00 1.51 -1.26 -4.35 117.35 119.02 2boa s TYR 1206Ca 0.77 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 2boa s TYR 1206Cb -0.34 -2.31 0.00 0.00 -0.11 0.00 0.00 41.96 39.20 2boa s TYR 1206CO 0.46 -1.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.15 2boa n GLY 1207N -2.28 0.00 0.06 0.71 0.00 -1.26 -1.44 105.19 100.98 2boa n GLY 1207Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2boa n GLY 1207CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2boa n TYR 1208N -0.97 0.56 -3.76 1.61 4.11 -1.03 0.27 117.16 117.95 2boa n TYR 1208Ca 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 57.90 57.97 2boa n TYR 1208Cb 0.16 -0.69 -0.06 0.00 -0.00 0.00 0.00 39.34 38.75 2boa n TYR 1208CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2boa s SER 1209N -4.05 -0.05 -0.07 9.48 0.01 -1.26 -4.71 113.70 113.04 2boa s SER 1209Ca 0.09 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2boa s SER 1209Cb 0.14 0.41 0.14 0.00 0.21 0.00 0.00 66.02 66.93 2boa s SER 1209CO 0.65 -0.81 0.99 0.52 0.41 0.00 0.00 173.24 175.01 2boa n VAL 1210N -0.15 1.04 -0.33 3.43 0.31 -1.26 -4.48 118.33 116.88 2boa n VAL 1210Ca -0.15 -0.33 0.05 0.00 -0.01 0.00 0.00 64.34 63.91 2boa n VAL 1210Cb 0.63 -0.71 0.20 0.00 -0.91 0.00 0.00 33.84 33.05 2boa n VAL 1210CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2boa h LYS 1211N 0.44 0.89 -2.29 5.55 1.57 -1.96 -3.49 116.57 117.29 2boa h LYS 1211Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2boa h LYS 1211Cb 1.11 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2boa h LYS 1211CO 0.16 0.59 -0.14 1.63 -0.57 0.00 0.00 179.45 181.12 2boa n LYS 1212N -4.67 -0.76 -1.91 3.15 5.02 -1.26 -5.01 118.16 112.73 2boa n LYS 1212Ca 0.16 0.98 -0.39 0.00 -2.02 0.00 0.00 58.31 57.04 2boa n LYS 1212Cb 0.31 -1.06 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2boa n LYS 1212CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2boa s ALA 1213N -0.09 3.09 0.35 7.82 0.00 -1.26 -4.93 121.76 126.73 2boa s ALA 1213Ca 0.00 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.34 2boa s ALA 1213Cb 0.00 -3.53 0.75 0.00 0.00 0.00 0.00 23.12 20.33 2boa s ALA 1213CO 0.00 -1.10 1.90 -1.35 0.00 0.00 0.00 175.76 175.21 2boa h PRO 1214N 2.12 0.74 -0.61 0.00 0.11 -1.95 -2.53 132.00 129.87 2boa h PRO 1214Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2boa h PRO 1214Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2boa h PRO 1214CO 0.60 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.63 2boa n ASP 1215N -4.52 5.39 -0.29 -2.05 8.00 -1.26 -4.62 116.55 117.18 2boa n ASP 1215Ca 0.15 -2.81 0.12 0.00 0.71 0.00 0.00 54.79 52.96 2boa n ASP 1215Cb 0.35 -0.66 0.28 0.00 -0.02 0.00 0.00 41.12 41.07 2boa n ASP 1215CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2boa h ALA 1216N 3.96 1.26 -0.22 2.24 0.00 -1.80 -0.29 119.26 124.42 2boa h ALA 1216Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2boa h ALA 1216Cb 1.83 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2boa h ALA 1216CO 0.43 -0.45 0.13 1.49 0.00 0.00 0.00 179.25 180.86 2boa h GLU 1217N 0.23 0.26 -0.35 0.00 4.81 -1.85 0.12 114.58 117.81 2boa h GLU 1217Ca 0.54 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.73 2boa h GLU 1217Cb 1.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2boa h GLU 1217CO -0.63 0.18 0.11 1.49 -0.73 0.00 0.00 179.01 179.42 2boa h GLU 1218N 0.27 0.54 -0.35 1.92 4.81 -1.62 -2.58 114.58 117.58 2boa h GLU 1218Ca 0.08 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 2boa h GLU 1218Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2boa h GLU 1218CO -0.03 0.57 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.54 2boa h LEU 1219N 0.41 0.66 -0.49 1.64 3.38 -0.91 -2.08 115.31 117.91 2boa h LEU 1219Ca 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2boa h LEU 1219Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2boa h LEU 1219CO -0.00 0.87 0.27 -0.78 0.09 0.00 0.00 178.44 178.89 2boa h ASP 1220N 0.58 0.61 -0.23 -0.43 1.82 -0.72 -0.98 116.42 117.09 2boa h ASP 1220Ca 0.09 -0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 2boa h ASP 1220Cb 0.68 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2boa h ASP 1220CO 0.05 0.53 -0.29 0.11 -1.61 0.00 0.00 179.24 178.02 2boa h LYS 1221N 0.65 0.73 -0.08 0.28 1.57 -1.17 0.02 116.57 118.57 2boa h LYS 1221Ca 0.17 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2boa h LYS 1221Cb 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2boa h LYS 1221CO -0.03 0.93 -0.05 0.28 -0.57 0.00 0.00 179.45 180.01 2boa h VAL 1222N 0.62 1.34 -0.71 0.50 2.07 -1.28 -2.24 116.25 116.55 2boa h VAL 1222Ca 0.07 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2boa h VAL 1222Cb 0.81 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2boa h VAL 1222CO 0.07 0.31 0.45 0.00 0.02 0.00 0.00 177.57 178.42 2boa h ALA 1223N 0.60 0.90 -0.56 1.67 0.00 -1.11 0.30 119.26 121.06 2boa h ALA 1223Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2boa h ALA 1223Cb 0.53 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2boa h ALA 1223CO 0.01 0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.93 2boa h ARG 1224N 0.96 0.61 -0.02 0.00 3.08 -0.98 0.78 114.38 118.81 2boa h ARG 1224Ca 0.26 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.11 2boa h ARG 1224Cb -0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2boa h ARG 1224CO -0.05 0.40 -0.72 1.25 -1.07 0.00 0.00 179.97 179.78 2boa h LEU 1225N 0.62 0.15 -0.46 3.04 6.46 -0.92 -1.20 115.31 123.00 2boa h LEU 1225Ca 0.23 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2boa h LEU 1225Cb 0.07 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2boa h LEU 1225CO -0.13 0.82 0.11 0.00 -0.62 0.00 0.00 178.44 178.62 2boa h ALA 1226N 1.18 0.61 -0.23 1.25 0.00 -0.06 -1.66 119.26 120.36 2boa h ALA 1226Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2boa h ALA 1226Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2boa h ALA 1226CO 0.10 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.72 2boa h ALA 1227N 0.97 0.30 -0.66 0.00 0.00 -0.79 -0.72 119.26 118.36 2boa h ALA 1227Ca 0.14 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2boa h ALA 1227Cb 0.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2boa h ALA 1227CO 0.00 -0.06 0.30 0.87 0.00 0.00 0.00 179.25 180.36 2boa h LYS 1228N 0.19 0.50 -0.20 0.00 1.57 -1.17 -0.54 116.57 116.91 2boa h LYS 1228Ca 0.07 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2boa h LYS 1228Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2boa h LYS 1228CO -0.00 0.33 -0.54 0.00 -0.57 0.00 0.00 179.45 178.67 2boa h ALA 1229N 1.42 0.68 -0.73 3.86 0.00 -1.22 -2.76 119.26 120.51 2boa h ALA 1229Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2boa h ALA 1229Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2boa h ALA 1229CO -0.28 0.69 0.46 1.25 0.00 0.00 0.00 179.25 181.37 2boa h LEU 1230N 0.45 0.86 -1.65 0.00 6.46 -0.69 -2.67 115.31 118.07 2boa h LEU 1230Ca 0.01 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2boa h LEU 1230Cb 1.09 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 2boa h LEU 1230CO 0.10 0.65 0.19 0.00 -0.62 0.00 0.00 178.44 178.76 2boa h ALA 1231N 1.25 1.74 -1.06 1.25 0.00 -0.99 -3.03 119.26 118.42 2boa h ALA 1231Ca 0.27 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.43 2boa h ALA 1231Cb -0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 2boa h ALA 1231CO -0.05 0.23 0.72 0.66 0.00 0.00 0.00 179.25 180.81 2boa h SER 1232N 0.43 0.23 -0.00 0.00 4.64 -1.18 0.12 113.55 117.79 2boa h SER 1232Ca 0.11 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2boa h SER 1232Cb -0.01 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2boa h SER 1232CO -0.02 0.05 -0.03 0.58 -0.87 0.00 0.00 176.83 176.54 2boa h VAL 1233N 0.21 1.60 0.00 0.95 2.07 -1.68 -3.42 116.25 115.97 2boa h VAL 1233Ca 0.56 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2boa h VAL 1233Cb 1.78 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 2boa h VAL 1233CO -0.16 0.47 -0.56 -1.20 0.02 0.00 0.00 177.57 176.15 2boa n SER 1234N -4.70 2.79 0.00 0.57 7.64 -1.11 -5.02 113.62 113.79 2boa n SER 1234Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2boa n SER 1234Cb 0.39 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 2boa n SER 1234CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2boa n GLY 1235N 1.41 1.02 3.67 0.23 0.00 0.41 -5.07 105.19 106.86 2boa n GLY 1235Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2boa n GLY 1235CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2boa s THR 1236N -2.00 3.36 -0.25 2.61 2.01 -1.26 -4.98 115.64 115.13 2boa s THR 1236Ca 0.00 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 2boa s THR 1236Cb 0.00 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 2boa s THR 1236CO 0.00 -0.04 0.22 -1.61 -0.69 0.00 0.00 174.62 172.50 2boa s GLU 1237N 3.87 4.05 -0.07 4.92 2.02 -1.26 -3.99 118.70 128.24 2boa s GLU 1237Ca 0.77 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2boa s GLU 1237Cb -0.37 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 2boa s GLU 1237CO 0.33 -0.04 -0.11 0.71 0.02 0.00 0.00 175.26 176.16 2boa s TYR 1238N 1.36 2.80 0.34 1.61 1.51 -1.26 -4.89 117.35 118.82 2boa s TYR 1238Ca 0.10 -0.18 -0.22 0.00 -1.01 0.00 0.00 57.07 55.76 2boa s TYR 1238Cb -0.14 -1.70 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 2boa s TYR 1238CO 0.07 0.16 0.89 -0.65 -1.11 0.00 0.00 175.55 174.91 2boa s GLN 1239N -0.55 4.36 0.08 -0.62 -0.21 -1.00 -4.95 119.66 116.77 2boa s GLN 1239Ca 0.08 1.12 0.08 0.00 0.02 0.00 0.00 55.36 56.66 2boa s GLN 1239Cb -0.12 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 2boa s GLN 1239CO 0.02 0.19 -0.23 0.08 -2.12 0.00 0.00 175.29 173.23 2boa s VAL 1240N -1.81 1.84 0.00 1.09 1.01 -1.26 -1.56 120.40 119.70 2boa s VAL 1240Ca 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2boa s VAL 1240Cb -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2boa s VAL 1240CO 0.19 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2boa n GLY 1241N 1.46 -0.46 3.74 4.51 0.00 -1.14 -5.01 105.19 108.29 2boa n GLY 1241Ca -0.18 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 2boa n GLY 1241CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2boa s PRO 1242N -1.90 2.02 -0.00 1.61 0.02 -1.26 -2.80 135.00 132.68 2boa s PRO 1242Ca 0.00 1.31 -0.25 0.00 0.02 0.00 0.00 61.00 62.07 2boa s PRO 1242Cb 0.00 -1.86 -0.19 0.00 0.02 0.00 0.00 34.50 32.47 2boa s PRO 1242CO 0.00 -1.84 1.32 1.15 -0.33 0.00 0.00 177.00 177.29 2boa h THR 1243N -1.15 1.18 -0.03 0.99 2.02 -0.60 -2.08 112.91 113.24 2boa h THR 1243Ca -0.44 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 65.88 2boa h THR 1243Cb 1.24 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2boa h THR 1243CO 0.49 0.22 0.02 0.00 0.37 0.00 0.00 175.52 176.62 2boa n THR 1245N -4.53 1.54 -0.26 0.00 -2.24 -1.24 -3.26 114.28 104.29 2boa n THR 1245Ca -0.02 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 2boa n THR 1245Cb 0.12 -1.99 0.07 0.00 -2.10 0.00 0.00 70.33 66.42 2boa n THR 1245CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2boa h THR 1246N -0.94 1.16 0.00 4.28 2.02 -1.26 -3.41 112.91 114.75 2boa h THR 1246Ca -0.42 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2boa h THR 1246Cb 1.40 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2boa h THR 1246CO -0.24 0.17 0.00 0.52 0.37 0.00 0.00 175.52 176.35 2boa n VAL 1247N -4.60 0.00 -3.54 3.16 0.31 -0.31 -5.01 118.33 108.34 2boa n VAL 1247Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 2boa n VAL 1247Cb 0.04 -0.11 -0.06 0.00 -0.91 0.00 0.00 33.84 32.80 2boa n VAL 1247CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2boa s TYR 1248N 0.68 -0.61 -0.37 3.52 -0.00 -1.21 -4.51 117.35 114.85 2boa s TYR 1248Ca 0.00 1.07 -0.40 0.00 -0.00 0.00 0.00 57.07 57.75 2boa s TYR 1248Cb 0.00 0.41 -0.15 0.00 -0.00 0.00 0.00 41.96 42.22 2boa s TYR 1248CO 0.00 -0.54 1.98 -0.35 -0.00 0.00 0.00 175.55 176.64 2boa n PRO 1249N 0.99 0.81 -3.86 -3.49 -0.04 -1.20 -4.56 135.00 123.65 2boa n PRO 1249Ca -0.17 0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 2boa n PRO 1249Cb 0.57 -2.06 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 2boa n PRO 1249CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2boa s ALA 1250N 5.35 0.50 0.44 0.55 0.00 0.14 -3.18 121.76 125.57 2boa s ALA 1250Ca 1.07 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 2boa s ALA 1250Cb -1.12 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2boa s ALA 1250CO 0.61 -0.28 0.74 -1.54 0.00 0.00 0.00 175.76 175.29 2boa s SER 1251N 1.55 6.32 -1.45 0.00 1.04 0.15 -2.46 113.70 118.85 2boa s SER 1251Ca -0.02 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.26 2boa s SER 1251Cb -0.13 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2boa s SER 1251CO -0.03 -0.49 0.61 0.61 0.98 0.00 0.00 173.24 174.92 2boa n GLY 1252N -1.95 -0.44 3.90 7.32 0.00 0.00 -4.43 105.19 109.59 2boa n GLY 1252Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2boa n GLY 1252CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2boa s SER 1253N -2.77 6.36 0.15 1.61 1.04 -1.23 -1.73 113.70 117.13 2boa s SER 1253Ca 0.30 0.93 -0.19 0.00 0.48 0.00 0.00 55.95 57.48 2boa s SER 1253Cb -0.13 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.79 2boa s SER 1253CO 0.38 -0.47 1.67 0.77 0.98 0.00 0.00 173.24 176.57 2boa h SER 1254N 0.72 -0.39 0.50 7.02 4.64 -1.90 -2.43 113.55 121.71 2boa h SER 1254Ca -0.47 0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 2boa h SER 1254Cb 1.20 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 2boa h SER 1254CO 0.63 -0.14 -0.59 0.16 -0.87 0.00 0.00 176.83 176.02 2boa h ILE 1255N -0.05 1.41 -0.15 0.95 3.07 -1.94 -0.94 117.51 119.86 2boa h ILE 1255Ca 0.16 -1.99 -0.05 0.00 1.55 0.00 0.00 64.86 64.53 2boa h ILE 1255Cb 0.28 2.04 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2boa h ILE 1255CO -0.35 0.58 -0.09 0.44 -1.05 0.00 0.00 178.15 177.68 2boa h ASP 1256N 0.07 0.33 -0.73 2.16 5.19 -1.93 -1.78 116.42 119.73 2boa h ASP 1256Ca -0.01 -0.43 0.09 0.00 -0.62 0.00 0.00 57.03 56.07 2boa h ASP 1256Cb 1.06 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.40 2boa h ASP 1256CO 0.08 0.69 0.38 -0.25 -3.12 0.00 0.00 179.24 177.02 2boa h TRP 1257N -0.02 0.68 -0.33 4.55 7.01 -1.18 -0.22 115.95 126.43 2boa h TRP 1257Ca 0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2boa h TRP 1257Cb 0.57 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2boa h TRP 1257CO 0.07 0.25 0.14 0.00 -2.79 0.00 0.00 178.44 176.11 2boa h ALA 1258N 1.43 0.43 -0.45 2.65 0.00 -1.02 -1.63 119.26 120.66 2boa h ALA 1258Ca 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2boa h ALA 1258Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2boa h ALA 1258CO -0.26 0.02 0.21 -0.92 0.00 0.00 0.00 179.25 178.30 2boa h TYR 1259N 0.39 0.66 0.00 0.00 3.20 -1.12 -1.24 116.97 118.87 2boa h TYR 1259Ca 0.11 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2boa h TYR 1259Cb 0.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2boa h TYR 1259CO -0.01 0.55 0.00 -0.44 -1.64 0.00 0.00 178.16 176.62 2boa h ASP 1260N 0.59 0.00 -0.53 -2.11 3.45 -0.83 -2.50 116.42 114.49 2boa h ASP 1260Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 2boa h ASP 1260Cb 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 2boa h ASP 1260CO -0.02 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.24 2boa n ASN 1261N -2.45 4.61 0.00 6.45 4.13 -0.63 -4.94 115.26 122.42 2boa n ASN 1261Ca 0.01 -2.60 0.00 0.00 1.68 0.00 0.00 54.58 53.67 2boa n ASN 1261Cb 0.20 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 2boa n ASN 1261CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2boa n GLY 1262N 0.66 0.72 3.36 7.41 0.00 -0.94 -5.02 105.19 111.38 2boa n GLY 1262Ca 0.24 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2boa n GLY 1262CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2boa s ILE 1263N -2.00 5.02 0.13 -0.61 1.01 -0.50 -4.92 121.20 119.32 2boa s ILE 1263Ca 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 60.65 59.09 2boa s ILE 1263Cb 0.00 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2boa s ILE 1263CO 0.00 -1.07 1.69 0.50 0.00 0.00 0.00 174.94 176.06 2boa h LYS 1264N 8.92 -0.06 -3.93 2.79 3.64 -1.84 -3.26 116.57 122.83 2boa h LYS 1264Ca -0.22 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.39 2boa h LYS 1264Cb 1.08 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.70 2boa h LYS 1264CO 1.04 -0.04 1.11 1.19 -2.27 0.00 0.00 179.45 180.49 2boa n PHE 1265N -5.22 4.37 -3.65 1.91 3.72 -1.15 -4.90 117.46 112.54 2boa n PHE 1265Ca -0.03 -3.33 -0.38 0.00 -0.05 0.00 0.00 57.45 53.66 2boa n PHE 1265Cb 0.15 -1.87 -0.12 0.00 -0.94 0.00 0.00 39.48 36.70 2boa n PHE 1265CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2boa s ALA 1266N -0.11 3.33 -0.03 4.37 0.00 -1.26 -1.95 121.76 126.11 2boa s ALA 1266Ca 0.37 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2boa s ALA 1266Cb -0.02 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.76 2boa s ALA 1266CO -0.01 -0.74 -0.05 -0.06 0.00 0.00 0.00 175.76 174.91 2boa s PHE 1267N 1.66 0.65 -0.30 0.00 0.40 -0.46 -4.10 117.98 115.82 2boa s PHE 1267Ca 0.06 -0.15 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 2boa s PHE 1267Cb -0.16 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 2boa s PHE 1267CO 0.07 -0.13 0.30 0.99 0.70 0.00 0.00 175.22 177.15 2boa s THR 1268N 0.60 5.22 -0.07 0.64 2.01 0.82 -0.59 115.64 124.28 2boa s THR 1268Ca -0.08 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 2boa s THR 1268Cb -0.11 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2boa s THR 1268CO -0.00 0.09 0.47 -0.36 -0.69 0.00 0.00 174.62 174.13 2boa s PHE 1269N 1.93 3.60 -0.27 4.92 0.40 0.70 -0.30 117.98 128.96 2boa s PHE 1269Ca 0.11 0.96 -0.00 0.00 -0.60 0.00 0.00 56.93 57.40 2boa s PHE 1269Cb -0.16 -2.48 0.05 0.00 0.51 0.00 0.00 43.02 40.93 2boa s PHE 1269CO 0.11 0.33 -0.06 -1.21 0.70 0.00 0.00 175.22 175.09 2boa s GLU 1270N 0.02 2.49 0.29 0.44 0.41 0.61 0.03 118.70 122.99 2boa s GLU 1270Ca 0.26 -1.21 -0.02 0.00 -0.41 0.00 0.00 54.97 53.59 2boa s GLU 1270Cb -0.16 -3.02 0.06 0.00 -1.78 0.00 0.00 34.13 29.23 2boa s GLU 1270CO 0.12 -0.54 0.39 1.28 -0.49 0.00 0.00 175.26 176.03 2boa n LEU 1271N 4.57 0.00 -4.46 1.80 4.77 -0.18 -1.01 117.00 122.49 2boa n LEU 1271Ca -0.15 -0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 54.73 2boa n LEU 1271Cb 0.44 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 2boa n LEU 1271CO 0.25 -0.72 0.06 0.54 -1.33 0.00 0.00 177.39 176.18 2boa n ARG 1272N -1.76 0.57 0.00 3.23 1.74 -1.26 -1.92 116.66 117.25 2boa n ARG 1272Ca 0.06 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2boa n ARG 1272Cb 0.21 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2boa n ARG 1272CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2boa n ASP 1273N 1.01 0.00 -0.54 0.55 5.68 -1.26 -4.61 116.55 117.38 2boa n ASP 1273Ca 0.11 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.47 2boa n ASP 1273Cb 0.43 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.46 2boa n ASP 1273CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2boa n THR 1274N 0.00 0.00 0.00 2.12 -2.24 -1.26 -0.73 114.28 112.17 2boa n THR 1274Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2boa n THR 1274Cb 0.00 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2boa n THR 1274CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2boa n GLY 1275N 0.79 0.40 0.24 3.38 0.00 -1.26 -4.88 105.19 103.87 2boa n GLY 1275Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2boa n GLY 1275CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2boa h THR 1276N 0.00 1.21 0.00 2.61 2.02 -1.93 -3.33 112.91 113.49 2boa h THR 1276Ca 0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2boa h THR 1276Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2boa h THR 1276CO 0.00 0.25 -0.67 -1.22 0.37 0.00 0.00 175.52 174.25 2boa n TYR 1277N -4.53 0.00 0.00 3.16 4.01 -1.26 -4.83 117.16 113.70 2boa n TYR 1277Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2boa n TYR 1277Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2boa n TYR 1277CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2boa n GLY 1278N 1.99 3.52 0.24 2.72 0.00 -1.25 -1.78 105.19 110.63 2boa n GLY 1278Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2boa n GLY 1278CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2boa h PHE 1279N 0.00 0.00 -0.31 1.61 0.04 -1.91 -3.17 116.94 113.19 2boa h PHE 1279Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2boa h PHE 1279Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 2boa h PHE 1279CO 0.00 0.16 0.17 1.28 -0.60 0.00 0.00 178.31 179.32 2boa n LEU 1280N -4.03 5.92 -4.70 1.54 7.99 -0.73 -4.42 117.00 118.57 2boa n LEU 1280Ca -0.02 -3.05 -0.42 0.00 -0.01 0.00 0.00 56.01 52.50 2boa n LEU 1280Cb 0.25 -1.15 -0.03 0.00 -0.11 0.00 0.00 43.42 42.38 2boa n LEU 1280CO 0.34 1.27 1.46 -0.11 -1.51 0.00 0.00 177.39 178.84 2boa n LEU 1281N 1.09 4.07 -4.62 2.23 7.94 -1.20 -4.87 117.00 121.63 2boa n LEU 1281Ca 0.23 1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.71 2boa n LEU 1281Cb 0.59 -1.56 0.01 0.00 0.53 0.00 0.00 43.42 42.99 2boa n LEU 1281CO 0.21 0.19 0.64 -2.65 -1.11 0.00 0.00 177.39 174.66 2boa n PRO 1282N 5.35 1.46 -0.23 1.96 -0.02 -1.26 -4.87 135.00 137.39 2boa n PRO 1282Ca 0.18 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.37 2boa n PRO 1282Cb 0.37 -2.08 0.53 0.00 -0.02 0.00 0.00 33.50 32.30 2boa n PRO 1282CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2boa h ALA 1283N 1.70 2.25 0.00 3.55 0.00 -1.91 -2.46 119.26 122.39 2boa h ALA 1283Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2boa h ALA 1283Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2boa h ALA 1283CO 0.58 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 179.57 2boa n ASN 1284N -4.49 0.07 -0.87 0.00 0.23 -1.26 -1.76 115.26 107.18 2boa n ASN 1284Ca 0.19 0.52 0.12 0.00 -0.53 0.00 0.00 54.58 54.88 2boa n ASN 1284Cb 0.71 -0.53 0.23 0.00 -2.08 0.00 0.00 39.78 38.11 2boa n ASN 1284CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2boa n GLN 1285N -1.58 2.18 0.09 -3.83 6.02 -0.93 -4.56 117.38 114.79 2boa n GLN 1285Ca 0.03 -1.73 -0.13 0.00 -0.01 0.00 0.00 57.00 55.16 2boa n GLN 1285Cb 0.15 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 2boa n GLN 1285CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2boa h ILE 1286N 4.00 0.92 -0.39 5.09 2.04 -1.50 -1.09 117.51 126.58 2boa h ILE 1286Ca 0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2boa h ILE 1286Cb 0.86 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2boa h ILE 1286CO 0.00 0.15 0.10 0.40 0.00 0.00 0.00 178.15 178.80 2boa h ILE 1287N -0.60 1.23 -0.59 -0.67 2.04 -1.80 0.42 117.51 117.53 2boa h ILE 1287Ca -0.03 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.13 2boa h ILE 1287Cb 0.45 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2boa h ILE 1287CO 0.04 0.27 0.30 -0.65 0.00 0.00 0.00 178.15 178.11 2boa h PRO 1288N 0.48 0.54 -0.34 2.37 0.11 -1.81 0.34 132.00 133.69 2boa h PRO 1288Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2boa h PRO 1288Cb 0.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2boa h PRO 1288CO 0.00 0.36 0.16 1.15 -0.21 0.00 0.00 178.00 179.45 2boa h THR 1289N 0.55 1.17 -0.01 -1.15 2.02 -0.82 -2.25 112.91 112.42 2boa h THR 1289Ca 0.27 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2boa h THR 1289Cb 0.21 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2boa h THR 1289CO -0.20 0.18 0.01 0.00 0.37 0.00 0.00 175.52 175.88 2boa h ALA 1290N 1.01 0.02 -0.32 6.16 0.00 0.04 -0.37 119.26 125.79 2boa h ALA 1290Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2boa h ALA 1290Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2boa h ALA 1290CO -0.01 -0.46 -0.10 0.93 0.00 0.00 0.00 179.25 179.61 2boa h GLU 1291N -0.03 0.54 0.15 0.00 5.08 -0.28 -0.98 114.58 119.06 2boa h GLU 1291Ca 0.01 -0.15 -0.28 0.00 -1.00 0.00 0.00 59.36 57.93 2boa h GLU 1291Cb 0.05 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.27 2boa h GLU 1291CO -0.00 0.64 -1.20 1.05 -1.00 0.00 0.00 179.01 178.50 2boa h GLU 1292N 0.50 0.54 -0.24 2.33 4.11 -1.35 -3.27 114.58 117.20 2boa h GLU 1292Ca 0.10 -0.79 -0.04 0.00 0.07 0.00 0.00 59.36 58.70 2boa h GLU 1292Cb 0.48 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2boa h GLU 1292CO 0.03 1.36 -0.01 1.15 0.07 0.00 0.00 179.01 181.61 2boa h THR 1293N 0.12 1.15 -0.84 -1.06 2.02 -0.93 -2.75 112.91 110.62 2boa h THR 1293Ca -0.19 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.41 2boa h THR 1293Cb 1.90 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 2boa h THR 1293CO 0.23 0.20 0.56 -0.25 0.37 0.00 0.00 175.52 176.63 2boa h TRP 1294N 0.35 1.03 -0.16 3.16 -0.00 -1.23 0.25 115.95 119.35 2boa h TRP 1294Ca 0.08 0.02 -0.17 0.00 -0.00 0.00 0.00 58.89 58.82 2boa h TRP 1294Cb 0.25 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.06 2boa h TRP 1294CO 0.01 0.61 -0.60 -0.07 -0.00 0.00 0.00 178.44 178.38 2boa h LEU 1295N 1.08 0.62 -0.62 0.65 3.38 -1.59 0.82 115.31 119.65 2boa h LEU 1295Ca 0.33 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2boa h LEU 1295Cb -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2boa h LEU 1295CO -0.09 1.08 0.37 1.23 0.09 0.00 0.00 178.44 181.12 2boa h GLY 1296N 1.07 0.89 1.18 0.83 0.00 -1.18 -2.66 103.07 103.20 2boa h GLY 1296Ca -0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 2boa h GLY 1296CO 0.11 0.21 -0.44 1.41 0.00 0.00 0.00 176.54 177.84 2boa h LEU 1297N 0.71 0.95 -0.94 3.11 3.38 -0.30 -2.99 115.31 119.23 2boa h LEU 1297Ca 0.26 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2boa h LEU 1297Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2boa h LEU 1297CO -0.13 1.25 0.18 0.50 0.09 0.00 0.00 178.44 180.33 2boa h LYS 1298N 0.71 0.95 0.07 1.13 3.64 -0.82 -2.13 116.57 120.11 2boa h LYS 1298Ca 0.05 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2boa h LYS 1298Cb 1.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2boa h LYS 1298CO 0.10 0.83 -0.03 1.15 -2.27 0.00 0.00 179.45 179.23 2boa h THR 1299N 0.92 1.01 -0.42 1.00 2.02 -1.44 -0.20 112.91 115.79 2boa h THR 1299Ca 0.20 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.17 2boa h THR 1299Cb 0.29 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2boa h THR 1299CO -0.01 0.07 0.16 0.40 0.37 0.00 0.00 175.52 176.51 2boa h ILE 1300N -0.21 0.88 0.00 3.11 2.04 -1.40 -1.77 117.51 120.16 2boa h ILE 1300Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2boa h ILE 1300Cb 0.18 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2boa h ILE 1300CO 0.02 0.06 0.00 0.24 0.00 0.00 0.00 178.15 178.47 2boa h MET 1301N 0.33 0.00 0.05 2.37 2.86 -1.12 -0.79 114.93 118.63 2boa h MET 1301Ca 0.20 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.56 2boa h MET 1301Cb 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2boa h MET 1301CO -0.19 0.00 -1.41 0.93 1.06 0.00 0.00 176.91 177.30 2boa h GLU 1302N 0.00 0.10 -0.39 1.72 5.08 -0.41 -2.73 114.58 117.94 2boa h GLU 1302Ca 0.00 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 2boa h GLU 1302Cb 0.50 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2boa h GLU 1302CO 0.00 0.90 -0.23 1.25 -1.00 0.00 0.00 179.01 179.93 2boa h HIS 1303N 0.03 0.89 -0.36 4.33 2.76 -0.46 -2.20 115.15 120.14 2boa h HIS 1303Ca -0.18 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.76 2boa h HIS 1303Cb 1.93 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.67 2boa h HIS 1303CO 0.02 0.94 0.12 0.28 -1.30 0.00 0.00 177.93 177.99 2boa h VAL 1304N 0.68 1.21 -0.94 5.26 2.07 -1.27 -1.11 116.25 122.14 2boa h VAL 1304Ca 0.09 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2boa h VAL 1304Cb 0.75 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2boa h VAL 1304CO 0.06 0.23 0.62 -0.09 0.02 0.00 0.00 177.57 178.41 2boa h ARG 1305N 0.44 1.22 0.00 1.57 2.43 -1.40 -2.75 114.38 115.90 2boa h ARG 1305Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2boa h ARG 1305Cb 0.24 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2boa h ARG 1305CO -0.01 0.81 -0.38 -0.25 -1.51 0.00 0.00 179.97 178.63 2boa n ASP 1306N -4.44 0.59 -2.49 -3.80 8.00 -0.83 -4.13 116.55 109.45 2boa n ASP 1306Ca 0.11 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.58 2boa n ASP 1306Cb 0.03 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2boa n ASP 1306CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2boa n ASN 1307N -1.94 3.99 -4.72 -2.24 3.02 -0.43 -5.07 115.26 107.87 2boa n ASN 1307Ca 0.05 -3.48 -0.42 0.00 -0.03 0.00 0.00 54.58 50.70 2boa n ASN 1307Cb 0.40 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2boa n ASN 1307CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2boa s LEU 1308N -3.47 4.39 0.00 3.41 1.43 -1.15 -4.89 118.68 118.40 2boa s LEU 1308Ca 0.43 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2boa s LEU 1308Cb 0.41 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2boa s LEU 1308CO -0.12 -0.55 0.35 0.00 0.23 0.00 0.00 176.35 176.26