#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sje s SER 2 N 0.00 4.81 0.06 -1.84 1.04 -1.26 -4.97 113.70 111.54 1sje s SER 2 Ca 0.00 -0.81 -0.31 0.00 0.48 0.00 0.00 55.95 55.31 1sje s SER 2 Cb 0.00 -0.64 -0.08 0.00 0.10 0.00 0.00 66.02 65.40 1sje s SER 2 CO 0.00 -0.50 1.72 -1.58 0.98 0.00 0.00 173.24 173.87 1sje s GLN 3 N -3.98 4.18 0.29 4.02 0.74 -0.76 -4.94 119.66 119.22 1sje s GLN 3 Ca 0.43 2.39 -0.30 0.00 0.05 0.00 0.00 55.36 57.93 1sje s GLN 3 Cb -0.01 -3.71 -0.12 0.00 1.10 0.00 0.00 33.01 30.26 1sje s GLN 3 CO 0.25 -0.79 1.57 -2.30 -0.55 0.00 0.00 175.29 173.47 1sje n PRO 4 N 6.04 2.63 -1.15 1.67 -0.02 -1.26 -4.64 135.00 138.27 1sje n PRO 4 Ca 0.17 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.25 1sje n PRO 4 Cb 0.40 -2.70 0.12 0.00 -0.02 0.00 0.00 33.50 31.31 1sje n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sje s ASP 5 N 0.44 3.63 0.41 2.55 -0.00 -1.26 -4.96 116.67 117.49 1sje s ASP 5 Ca 0.64 2.38 -0.23 0.00 -0.00 0.00 0.00 52.55 55.33 1sje s ASP 5 Cb -0.51 -2.59 -0.09 0.00 -0.00 0.00 0.00 42.92 39.73 1sje s ASP 5 CO 0.49 -2.64 1.03 -2.16 -0.00 0.00 0.00 175.17 171.90 1sje s PRO 6 N -4.10 4.15 0.10 8.23 0.04 -1.26 -5.06 135.00 137.09 1sje s PRO 6 Ca 0.74 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 1sje s PRO 6 Cb -0.29 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1sje s PRO 6 CO 0.50 -0.14 0.26 -1.64 0.04 0.00 0.00 177.00 176.01 1sje s MET 7 N -2.61 3.47 0.46 4.56 -1.94 -1.26 -4.95 119.30 117.03 1sje s MET 7 Ca 0.59 -0.41 0.33 0.00 -1.71 0.00 0.00 55.69 54.49 1sje s MET 7 Cb -0.20 -2.99 1.48 0.00 2.01 0.00 0.00 34.83 35.13 1sje s MET 7 CO 0.25 0.56 1.62 -1.35 -0.01 0.00 0.00 175.02 176.10 1sje h PRO 8 N 2.81 0.06 0.00 2.03 0.11 -1.97 1.22 132.00 136.27 1sje h PRO 8 Ca -0.46 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1sje h PRO 8 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1sje h PRO 8 CO 0.74 0.04 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.91 1sje h ASP 9 N 0.07 0.00 1.21 -2.05 5.19 -2.03 -3.01 116.42 115.79 1sje h ASP 9 Ca 0.83 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.24 1sje h ASP 9 Cb 2.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.26 1sje h ASP 9 CO -0.34 0.22 0.00 0.44 -3.12 0.00 0.00 179.24 176.44 1sje h ASP 10 N 0.00 0.00 -2.88 6.45 3.45 0.12 -3.46 116.42 120.10 1sje h ASP 10 Ca -0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.81 1sje h ASP 10 Cb 0.82 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.52 1sje h ASP 10 CO 0.03 0.00 -0.51 -0.76 -1.57 0.00 0.00 179.24 176.42 1sje s LEU 11 N -4.86 4.24 0.34 1.55 1.43 -1.14 -4.93 118.68 115.31 1sje s LEU 11 Ca 0.07 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1sje s LEU 11 Cb 0.10 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 1sje s LEU 11 CO 0.52 0.27 1.18 -1.00 0.23 0.00 0.00 176.35 177.55 1sje s HIS 12 N -1.28 3.23 -0.18 0.29 3.76 -1.26 -5.03 115.29 114.83 1sje s HIS 12 Ca 0.26 1.57 -0.04 0.00 -0.15 0.00 0.00 55.06 56.69 1sje s HIS 12 Cb -0.12 -3.42 -0.03 0.00 1.11 0.00 0.00 32.58 30.12 1sje s HIS 12 CO 0.17 -1.19 -0.02 0.15 -0.85 0.00 0.00 174.74 173.00 1sje s LYS 13 N -1.90 3.65 0.53 1.40 3.01 -1.26 -4.45 119.74 120.72 1sje s LYS 13 Ca 0.51 -0.52 0.22 0.00 -1.01 0.00 0.00 55.97 55.17 1sje s LYS 13 Cb -0.33 -2.99 1.42 0.00 -1.01 0.00 0.00 37.83 34.92 1sje s LYS 13 CO 0.43 0.14 2.14 0.66 0.51 0.00 0.00 175.35 179.23 1sje h SER 14 N 7.06 0.00 0.50 2.83 4.64 -1.43 -0.28 113.55 126.88 1sje h SER 14 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1sje h SER 14 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1sje h SER 14 CO 0.62 0.05 -0.05 0.77 -0.87 0.00 0.00 176.83 177.35 1sje h SER 15 N 0.00 0.00 -0.08 4.97 4.64 -1.89 -1.15 113.55 120.05 1sje h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sje h SER 15 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1sje h SER 15 CO 0.01 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 1sje n GLU 16 N -3.29 1.98 -3.83 4.77 1.02 -0.12 -4.78 120.64 116.39 1sje n GLU 16 Ca -0.01 -1.43 -0.36 0.00 -0.02 0.00 0.00 57.16 55.34 1sje n GLU 16 Cb 0.22 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1sje n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1sje s PHE 17 N -1.92 3.09 -0.40 -0.32 5.36 -0.44 -1.57 117.98 121.78 1sje s PHE 17 Ca 0.34 -0.38 0.14 0.00 -0.96 0.00 0.00 56.93 56.07 1sje s PHE 17 Cb 0.20 -2.20 0.43 0.00 -0.34 0.00 0.00 43.02 41.11 1sje s PHE 17 CO 0.31 -0.29 1.34 0.25 -1.46 0.00 0.00 175.22 175.37 1sje n THR 18 N 4.70 1.82 -0.60 0.12 -2.24 0.19 -4.92 114.28 113.34 1sje n THR 18 Ca -0.16 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1sje n THR 18 Cb 0.52 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1sje n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sje n GLY 19 N -0.24 0.52 3.41 3.38 0.00 -1.24 -4.81 105.19 106.21 1sje n GLY 19 Ca 0.17 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1sje n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sje s THR 20 N 0.82 4.95 0.55 2.61 2.01 -1.26 -4.71 115.64 120.61 1sje s THR 20 Ca 0.00 -0.79 0.39 0.00 0.31 0.00 0.00 61.69 61.60 1sje s THR 20 Cb 0.00 -3.78 0.39 0.00 0.01 0.00 0.00 72.50 69.12 1sje s THR 20 CO 0.00 -0.30 2.19 -0.03 -0.69 0.00 0.00 174.62 175.78 1sje h MET 21 N 8.55 0.00 0.00 4.92 4.05 -1.60 -0.66 114.93 130.19 1sje h MET 21 Ca -0.26 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1sje h MET 21 Cb 1.11 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1sje h MET 21 CO 0.71 0.00 -0.02 0.78 0.23 0.00 0.00 176.91 178.61 1sje h GLY 22 N 0.00 0.00 2.00 1.39 0.00 0.36 0.93 103.07 107.75 1sje h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sje h GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1sje n ASN 23 N -3.77 0.19 -0.08 0.19 3.02 -0.25 -1.17 115.26 113.39 1sje n ASN 23 Ca -0.03 0.52 -0.23 0.00 -0.03 0.00 0.00 54.58 54.82 1sje n ASN 23 Cb 0.11 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 38.58 1sje n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1sje n MET 24 N -1.69 0.65 -0.33 3.52 0.00 0.20 -4.21 117.12 115.26 1sje n MET 24 Ca 0.06 0.33 0.06 0.00 -0.00 0.00 0.00 57.70 58.15 1sje n MET 24 Cb 0.33 -1.64 0.22 0.00 0.00 0.00 0.00 33.22 32.13 1sje n MET 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1sje h LYS 25 N -0.48 0.82 -0.98 2.12 3.64 -1.11 -1.23 116.57 119.36 1sje h LYS 25 Ca -0.49 -0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.04 1sje h LYS 25 Cb 1.71 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 33.25 1sje h LYS 25 CO -0.14 0.55 0.62 -0.92 -2.27 0.00 0.00 179.45 177.28 1sje h TYR 26 N 0.85 0.87 0.00 1.91 3.20 -1.31 -0.44 116.97 122.04 1sje h TYR 26 Ca 0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1sje h TYR 26 Cb 0.52 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1sje h TYR 26 CO -0.04 0.19 0.00 -0.07 -1.64 0.00 0.00 178.16 176.61 1sje h LEU 27 N 0.62 0.00 -0.24 2.82 3.38 -1.39 -3.34 115.31 117.16 1sje h LEU 27 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1sje h LEU 27 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1sje h LEU 27 CO -0.31 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.00 1sje n TYR 28 N -2.93 0.00 -2.89 1.13 4.02 -0.49 -4.72 117.16 111.28 1sje n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1sje n TYR 28 Cb 0.32 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.60 1sje n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1sje s ASP 29 N -0.55 6.28 -1.42 7.72 3.68 -0.30 -3.81 116.67 128.28 1sje s ASP 29 Ca 0.00 -1.28 -0.03 0.00 2.13 0.00 0.00 52.55 53.38 1sje s ASP 29 Cb 0.00 -2.41 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1sje s ASP 29 CO 0.00 -1.33 0.34 -0.67 0.13 0.00 0.00 175.17 173.64 1sje n ASP 30 N 7.33 -0.40 -3.77 -0.34 2.03 -1.26 -4.94 116.55 115.19 1sje n ASP 30 Ca 0.02 -1.09 -0.22 0.00 0.52 0.00 0.00 54.79 54.02 1sje n ASP 30 Cb 0.46 -2.65 -0.17 0.00 -0.72 0.00 0.00 41.12 38.03 1sje n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1sje s HIS 31 N -4.03 0.61 0.00 -0.67 2.46 -1.26 -5.13 115.29 107.28 1sje s HIS 31 Ca 0.05 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1sje s HIS 31 Cb -0.02 -0.75 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 1sje s HIS 31 CO 0.92 -0.30 0.00 2.48 -2.47 0.00 0.00 174.74 175.37 1sje n TYR 32 N 5.04 0.00 -4.09 3.88 0.18 -1.26 -4.66 117.16 116.25 1sje n TYR 32 Ca -0.09 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.34 1sje n TYR 32 Cb 0.50 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.38 1sje n TYR 32 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1sje s VAL 33 N -2.00 4.85 -0.07 -3.48 1.01 0.74 -4.94 120.40 116.50 1sje s VAL 33 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1sje s VAL 33 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1sje s VAL 33 CO 0.00 0.55 0.15 -0.55 0.00 0.00 0.00 175.10 175.25 1sje s SER 34 N -0.44 -0.01 -0.07 3.32 0.15 -1.26 -2.30 113.70 113.10 1sje s SER 34 Ca 0.10 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.93 1sje s SER 34 Cb -0.12 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1sje s SER 34 CO 0.02 -0.16 0.29 0.00 1.20 0.00 0.00 173.24 174.59 1sje s ALA 35 N 1.31 -0.73 -0.06 5.45 0.00 -0.76 -4.97 121.76 122.00 1sje s ALA 35 Ca -0.08 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1sje s ALA 35 Cb -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1sje s ALA 35 CO -0.06 -0.19 -0.20 0.99 0.00 0.00 0.00 175.76 176.29 1sje s THR 36 N -0.54 1.71 -0.66 0.00 2.01 -1.26 -0.73 115.64 116.18 1sje s THR 36 Ca -0.06 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 1sje s THR 36 Cb -0.04 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1sje s THR 36 CO 0.02 0.48 0.65 1.17 -0.69 0.00 0.00 174.62 176.26 1sje n LYS 37 N 3.26 -1.67 -4.16 4.92 4.81 -0.73 -4.99 118.16 119.59 1sje n LYS 37 Ca -0.19 1.48 -0.10 0.00 -0.87 0.00 0.00 58.31 58.63 1sje n LYS 37 Cb 0.52 -4.65 -0.10 0.00 0.02 0.00 0.00 35.03 30.83 1sje n LYS 37 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1sje s VAL 38 N -2.75 0.41 0.02 3.15 -7.23 -0.44 -4.89 120.40 108.66 1sje s VAL 38 Ca 0.10 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1sje s VAL 38 Cb -0.02 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1sje s VAL 38 CO 0.80 -0.68 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.04 1sje s LYS 39 N -3.94 0.87 0.64 4.82 2.20 -1.26 -0.08 119.74 123.00 1sje s LYS 39 Ca 0.17 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 54.97 1sje s LYS 39 Cb 0.07 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 35.52 1sje s LYS 39 CO -0.02 0.22 1.28 -1.54 -0.36 0.00 0.00 175.35 174.93 1sje s SER 40 N -0.88 4.70 0.00 1.43 1.04 -1.25 -4.70 113.70 114.04 1sje s SER 40 Ca 0.01 2.59 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1sje s SER 40 Cb -0.07 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1sje s SER 40 CO 0.01 -1.94 0.26 1.33 0.98 0.00 0.00 173.24 173.87 1sje n VAL 41 N -1.85 0.00 -3.80 5.02 0.24 0.16 -4.97 118.33 113.13 1sje n VAL 41 Ca 0.15 -0.46 -0.03 0.00 -2.04 0.00 0.00 64.34 61.97 1sje n VAL 41 Cb 0.48 1.04 0.02 0.00 -1.47 0.00 0.00 33.84 33.92 1sje n VAL 41 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sje n ASP 42 N -0.41 -1.41 -3.64 -1.34 4.64 -1.20 -5.02 116.55 108.17 1sje n ASP 42 Ca 0.00 -1.75 -0.08 0.00 -1.38 0.00 0.00 54.79 51.58 1sje n ASP 42 Cb 0.01 2.29 -0.07 0.00 -1.04 0.00 0.00 41.12 42.32 1sje n ASP 42 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1sje s SER 43 N -2.93 -0.81 -0.06 1.67 0.15 -1.26 -1.45 113.70 109.00 1sje s SER 43 Ca 0.18 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.17 1sje s SER 43 Cb -0.02 1.35 -0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1sje s SER 43 CO 0.05 -0.22 -0.03 0.15 1.20 0.00 0.00 173.24 174.39 1sje h PHE 44 N 6.33 0.00 -2.44 3.44 -0.00 -1.87 -3.47 116.94 118.93 1sje h PHE 44 Ca -0.29 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 57.11 1sje h PHE 44 Cb 1.21 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 37.07 1sje h PHE 44 CO 0.14 0.00 -0.62 -0.06 -0.00 0.00 0.00 178.31 177.76 1sje s PHE 45 N -1.40 2.84 -0.04 0.41 2.99 -1.26 -5.01 117.98 116.51 1sje s PHE 45 Ca -0.02 -0.16 0.21 0.00 0.00 0.00 0.00 56.93 56.95 1sje s PHE 45 Cb 0.00 -1.31 1.16 0.00 0.00 0.00 0.00 43.02 42.87 1sje s PHE 45 CO 0.04 0.56 1.62 1.57 -0.00 0.00 0.00 175.22 179.01 1sje h LYS 46 N 2.08 0.00 -0.59 0.44 2.10 -2.00 -1.60 116.57 117.00 1sje h LYS 46 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1sje h LYS 46 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1sje h LYS 46 CO 0.60 0.00 0.00 -2.67 -2.00 0.00 0.00 179.45 175.38 1sje n TRP 47 N -2.28 0.78 -4.39 0.07 2.14 -1.26 -4.46 117.44 108.04 1sje n TRP 47 Ca -0.01 -0.40 -0.20 0.00 2.07 0.00 0.00 57.50 58.96 1sje n TRP 47 Cb 0.13 -0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.52 1sje n TRP 47 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1sje s ASP 48 N -1.20 2.47 0.04 -0.67 1.47 -0.60 -1.02 116.67 117.16 1sje s ASP 48 Ca 0.45 -1.17 0.04 0.00 1.18 0.00 0.00 52.55 53.05 1sje s ASP 48 Cb 0.24 -0.11 -0.02 0.00 -0.34 0.00 0.00 42.92 42.69 1sje s ASP 48 CO 0.33 -0.36 -0.12 -0.76 0.68 0.00 0.00 175.17 174.93 1sje s LEU 49 N -3.38 2.20 -0.08 2.11 1.43 -0.50 -4.47 118.68 115.99 1sje s LEU 49 Ca 0.28 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1sje s LEU 49 Cb 0.04 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 1sje s LEU 49 CO 0.10 -0.03 -0.21 -0.63 0.23 0.00 0.00 176.35 175.81 1sje s ILE 50 N -0.98 2.40 0.26 -0.59 1.01 -0.53 -0.71 121.20 122.07 1sje s ILE 50 Ca -0.01 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 59.83 1sje s ILE 50 Cb -0.08 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 1sje s ILE 50 CO 0.01 0.56 -0.20 -0.31 0.00 0.00 0.00 174.94 175.00 1sje s TYR 51 N -0.02 2.24 -0.93 3.97 1.51 0.55 -0.67 117.35 124.00 1sje s TYR 51 Ca -0.06 -0.35 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 1sje s TYR 51 Cb -0.15 -0.99 0.21 0.00 -0.11 0.00 0.00 41.96 40.93 1sje s TYR 51 CO 0.05 0.67 0.95 -0.80 -1.11 0.00 0.00 175.55 175.30 1sje s ASN 52 N -3.41 6.87 -0.15 2.29 0.01 -1.26 -1.28 114.94 118.01 1sje s ASN 52 Ca 0.28 -2.77 0.01 0.00 -0.71 0.00 0.00 52.86 49.68 1sje s ASN 52 Cb -0.05 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.37 1sje s ASN 52 CO 0.14 -0.62 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.31 1sje s ILE 53 N 0.45 1.73 0.25 0.60 1.01 -0.97 -4.97 121.20 119.29 1sje s ILE 53 Ca 0.25 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1sje s ILE 53 Cb -0.09 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 1sje s ILE 53 CO -0.08 0.49 0.54 -0.44 0.00 0.00 0.00 174.94 175.44 1sje s SER 54 N 1.25 6.54 -0.99 3.58 0.01 -1.26 -3.55 113.70 119.27 1sje s SER 54 Ca 0.01 0.81 -0.22 0.00 1.31 0.00 0.00 55.95 57.86 1sje s SER 54 Cb -0.14 -2.18 0.07 0.00 0.21 0.00 0.00 66.02 63.98 1sje s SER 54 CO -0.08 -0.12 1.35 -0.62 0.41 0.00 0.00 173.24 174.18 1sje s ASP 55 N -2.72 6.53 0.28 2.44 3.68 0.13 -4.83 116.67 122.18 1sje s ASP 55 Ca 0.45 -1.61 0.01 0.00 2.13 0.00 0.00 52.55 53.54 1sje s ASP 55 Cb -0.11 -2.52 0.55 0.00 -1.45 0.00 0.00 42.92 39.39 1sje s ASP 55 CO 0.25 -1.38 1.82 0.11 0.13 0.00 0.00 175.17 176.10 1sje h LYS 56 N 9.52 0.90 0.00 4.34 1.79 -1.95 -0.71 116.57 130.47 1sje h LYS 56 Ca 0.18 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1sje h LYS 56 Cb 1.01 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1sje h LYS 56 CO 1.33 0.60 0.00 1.63 -1.08 0.00 0.00 179.45 181.93 1sje n LYS 57 N -4.66 0.00 -0.53 3.15 5.02 -1.26 -4.50 118.16 115.37 1sje n LYS 57 Ca 0.19 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.57 1sje n LYS 57 Cb 0.37 -0.48 0.32 0.00 -0.02 0.00 0.00 35.03 35.22 1sje n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sje n LEU 58 N 0.00 4.40 -3.74 -0.35 7.99 -1.25 -4.98 117.00 119.07 1sje n LEU 58 Ca 0.00 -2.44 -0.22 0.00 -0.01 0.00 0.00 56.01 53.34 1sje n LEU 58 Cb 0.00 -0.53 0.03 0.00 -0.11 0.00 0.00 43.42 42.81 1sje n LEU 58 CO 0.00 0.79 -0.07 0.29 -1.51 0.00 0.00 177.39 176.89 1sje n LYS 59 N 0.87 -4.79 0.00 3.23 4.76 -0.27 -4.89 118.16 117.07 1sje n LYS 59 Ca 0.23 0.60 0.12 0.00 -2.87 0.00 0.00 58.31 56.39 1sje n LYS 59 Cb 0.82 -5.13 0.26 0.00 -1.84 0.00 0.00 35.03 29.14 1sje n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sje n ASN 60 N -3.03 1.50 -3.59 4.39 5.03 -1.26 -4.92 115.26 113.38 1sje n ASN 60 Ca -0.28 -1.22 -0.06 0.00 0.87 0.00 0.00 54.58 53.90 1sje n ASN 60 Cb 0.67 0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 39.62 1sje n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1sje s TYR 61 N -2.41 -0.18 0.00 3.10 -0.85 -1.26 -4.25 117.35 111.49 1sje s TYR 61 Ca 0.24 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 1sje s TYR 61 Cb 0.19 0.50 0.00 0.00 0.38 0.00 0.00 41.96 43.04 1sje s TYR 61 CO 0.50 -0.25 0.09 -0.40 -1.52 0.00 0.00 175.55 173.97 1sje n ASP 62 N 0.11 0.17 -4.00 -0.18 3.85 -0.11 -0.69 116.55 115.70 1sje n ASP 62 Ca -0.03 -0.97 -0.23 0.00 -0.71 0.00 0.00 54.79 52.86 1sje n ASP 62 Cb 0.59 0.01 -0.16 0.00 -1.35 0.00 0.00 41.12 40.20 1sje n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1sje s LYS 63 N -0.01 1.32 -0.07 0.11 -0.14 -1.04 -2.30 119.74 117.62 1sje s LYS 63 Ca 0.00 -0.34 0.02 0.00 -1.36 0.00 0.00 55.97 54.29 1sje s LYS 63 Cb 0.00 -1.16 0.02 0.00 -1.68 0.00 0.00 37.83 35.01 1sje s LYS 63 CO 0.00 0.05 -0.10 0.08 -0.76 0.00 0.00 175.35 174.62 1sje s VAL 64 N 0.53 1.01 -0.19 3.17 1.01 -0.41 -2.01 120.40 123.52 1sje s VAL 64 Ca -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1sje s VAL 64 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1sje s VAL 64 CO 0.02 0.33 0.03 -0.75 0.00 0.00 0.00 175.10 174.74 1sje s LYS 65 N 0.88 3.78 -0.13 2.72 2.20 -0.79 -0.33 119.74 128.07 1sje s LYS 65 Ca -0.11 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1sje s LYS 65 Cb -0.15 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1sje s LYS 65 CO 0.01 0.12 -0.16 -0.08 -0.36 0.00 0.00 175.35 174.89 1sje s THR 66 N 0.75 2.81 -0.11 3.43 -1.32 0.11 -1.32 115.64 119.99 1sje s THR 66 Ca 0.02 -0.75 -0.08 0.00 -1.21 0.00 0.00 61.69 59.67 1sje s THR 66 Cb -0.14 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1sje s THR 66 CO 0.02 0.53 0.16 -1.61 -2.21 0.00 0.00 174.62 171.51 1sje s GLU 67 N 0.38 3.49 0.36 7.08 2.02 0.11 -1.41 118.70 130.74 1sje s GLU 67 Ca -0.12 -0.10 0.08 0.00 0.02 0.00 0.00 54.97 54.85 1sje s GLU 67 Cb -0.16 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 1sje s GLU 67 CO 0.06 0.76 0.08 -0.51 0.02 0.00 0.00 175.26 175.67 1sje s LEU 68 N -0.99 3.05 0.57 1.80 1.43 -0.19 -1.34 118.68 123.01 1sje s LEU 68 Ca 0.15 -1.01 0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1sje s LEU 68 Cb -0.12 -1.40 1.71 0.00 0.03 0.00 0.00 46.19 46.40 1sje s LEU 68 CO 0.04 -0.35 2.20 0.25 0.23 0.00 0.00 176.35 178.73 1sje h LEU 69 N 1.66 0.00 -7.69 1.79 5.85 -1.70 -3.46 115.31 111.77 1sje h LEU 69 Ca -0.43 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.48 1sje h LEU 69 Cb 1.25 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1sje h LEU 69 CO 0.68 0.04 0.55 0.54 -0.34 0.00 0.00 178.44 179.91 1sje s ASN 70 N -6.16 -0.11 0.16 1.25 2.20 -1.26 -5.06 114.94 105.96 1sje s ASN 70 Ca -0.04 -0.45 -0.15 0.00 -0.94 0.00 0.00 52.86 51.28 1sje s ASN 70 Cb 0.14 0.45 0.06 0.00 -2.00 0.00 0.00 41.25 39.91 1sje s ASN 70 CO 0.56 -0.86 1.81 -0.08 -2.94 0.00 0.00 177.10 175.59 1sje h GLU 71 N 2.00 0.52 -0.80 3.55 4.81 -1.87 -2.50 114.58 120.29 1sje h GLU 71 Ca -0.26 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1sje h GLU 71 Cb 1.22 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 1sje h GLU 71 CO 0.28 0.35 0.44 -0.44 -0.73 0.00 0.00 179.01 178.92 1sje h ASP 72 N 0.54 0.62 -0.79 1.04 3.32 -1.97 0.82 116.42 120.00 1sje h ASP 72 Ca 0.18 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1sje h ASP 72 Cb 0.01 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1sje h ASP 72 CO -0.08 0.34 0.33 0.25 -1.72 0.00 0.00 179.24 178.36 1sje h LEU 73 N 0.73 1.08 -0.41 1.55 5.85 -1.88 0.27 115.31 122.50 1sje h LEU 73 Ca 0.40 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.77 1sje h LEU 73 Cb 0.40 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sje h LEU 73 CO -0.26 0.95 -0.64 0.00 -0.34 0.00 0.00 178.44 178.15 1sje h ALA 74 N 1.17 0.59 -0.67 1.25 0.00 -0.60 -3.03 119.26 117.98 1sje h ALA 74 Ca 0.26 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1sje h ALA 74 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sje h ALA 74 CO -0.02 0.71 0.10 0.87 0.00 0.00 0.00 179.25 180.90 1sje h LYS 75 N 0.42 1.12 -0.52 0.00 1.57 0.11 -0.66 116.57 118.60 1sje h LYS 75 Ca -0.01 -0.31 0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1sje h LYS 75 Cb 1.21 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1sje h LYS 75 CO 0.12 1.03 0.19 -0.22 -0.57 0.00 0.00 179.45 180.00 1sje h LYS 76 N 1.04 0.36 -0.01 3.15 3.64 -0.36 -3.06 116.57 121.33 1sje h LYS 76 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1sje h LYS 76 Cb 0.46 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sje h LYS 76 CO 0.02 0.24 -0.47 0.66 -2.27 0.00 0.00 179.45 177.62 1sje n TYR 77 N -4.99 0.00 -0.23 1.91 4.02 -1.16 -4.62 117.16 112.09 1sje n TYR 77 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.85 1sje n TYR 77 Cb 0.21 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 1sje n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1sje h LYS 78 N 1.88 -0.21 -0.94 -0.72 3.64 -1.00 -2.23 116.57 116.98 1sje h LYS 78 Ca 0.00 0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.78 1sje h LYS 78 Cb 0.67 0.05 -0.30 0.00 -0.41 0.00 0.00 32.23 32.24 1sje h LYS 78 CO 0.00 -0.14 0.60 -0.25 -2.27 0.00 0.00 179.45 177.39 1sje n ASP 79 N -5.38 6.55 -4.52 4.20 8.00 -1.26 -3.94 116.55 120.20 1sje n ASP 79 Ca 0.01 -3.76 -0.28 0.00 0.71 0.00 0.00 54.79 51.47 1sje n ASP 79 Cb 0.34 -0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 1sje n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1sje s GLU 80 N -3.70 1.88 -0.27 -1.24 2.02 -0.84 -5.06 118.70 111.49 1sje s GLU 80 Ca 0.61 -1.26 -0.26 0.00 0.02 0.00 0.00 54.97 54.08 1sje s GLU 80 Cb 0.49 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.62 1sje s GLU 80 CO 0.01 0.45 0.92 0.08 0.02 0.00 0.00 175.26 176.74 1sje s VAL 81 N -1.48 4.72 0.39 2.63 1.01 -1.26 -4.40 120.40 122.01 1sje s VAL 81 Ca 0.22 1.61 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1sje s VAL 81 Cb -0.09 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1sje s VAL 81 CO 0.12 -0.24 0.15 1.33 0.00 0.00 0.00 175.10 176.47 1sje n VAL 82 N 5.48 0.00 -4.39 2.92 0.24 0.89 -1.52 118.33 121.95 1sje n VAL 82 Ca 0.08 -2.31 -0.28 0.00 -2.04 0.00 0.00 64.34 59.79 1sje n VAL 82 Cb 0.47 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.57 1sje n VAL 82 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1sje s ASP 83 N -3.41 3.40 0.01 -1.34 1.01 0.00 -1.33 116.67 115.01 1sje s ASP 83 Ca 0.22 -0.77 0.04 0.00 0.71 0.00 0.00 52.55 52.75 1sje s ASP 83 Cb 0.01 -0.26 -0.01 0.00 1.01 0.00 0.00 42.92 43.67 1sje s ASP 83 CO 0.15 0.16 -0.14 -0.69 0.21 0.00 0.00 175.17 174.86 1sje s VAL 84 N -1.25 1.10 -0.29 -1.27 1.01 0.09 -2.46 120.40 117.33 1sje s VAL 84 Ca 0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1sje s VAL 84 Cb -0.09 -0.95 0.12 0.00 0.00 0.00 0.00 36.38 35.46 1sje s VAL 84 CO 0.07 0.20 0.64 -0.47 0.00 0.00 0.00 175.10 175.55 1sje s TYR 85 N -0.50 -1.27 0.05 5.22 5.04 -0.76 -1.82 117.35 123.30 1sje s TYR 85 Ca 0.04 2.25 -0.27 0.00 -2.44 0.00 0.00 57.07 56.65 1sje s TYR 85 Cb -0.06 0.75 0.09 0.00 0.35 0.00 0.00 41.96 43.09 1sje s TYR 85 CO 0.00 -0.64 1.20 0.20 -1.34 0.00 0.00 175.55 174.97 1sje s GLY 86 N 2.71 -0.15 -0.31 8.97 0.00 -0.97 -4.34 107.32 113.24 1sje s GLY 86 Ca -0.06 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 1sje s GLY 86 CO -0.19 2.87 0.22 -0.45 0.00 0.00 0.00 173.10 175.56 1sje s SER 87 N -3.41 6.05 0.38 1.64 0.15 -1.26 -0.19 113.70 117.06 1sje s SER 87 Ca 0.22 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.72 1sje s SER 87 Cb 0.00 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1sje s SER 87 CO 0.00 -0.14 0.58 0.54 1.20 0.00 0.00 173.24 175.42 1sje s ASN 88 N 1.74 6.05 0.14 5.45 6.03 -1.25 -4.57 114.94 128.52 1sje s ASN 88 Ca 0.07 0.26 0.00 0.00 -1.03 0.00 0.00 52.86 52.16 1sje s ASN 88 Cb -0.17 -1.68 -0.04 0.00 -3.03 0.00 0.00 41.25 36.33 1sje s ASN 88 CO 0.11 -0.48 0.02 -0.72 -2.03 0.00 0.00 177.10 174.00 1sje s TYR 89 N -2.38 0.97 0.00 1.54 1.13 -0.14 -4.93 117.35 113.54 1sje s TYR 89 Ca 0.44 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1sje s TYR 89 Cb -0.10 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.20 1sje s TYR 89 CO 0.36 -0.37 0.00 0.66 -2.51 0.00 0.00 175.55 173.69 1sje n TYR 90 N -0.13 0.00 -1.62 -3.49 4.02 -1.26 -1.66 117.16 113.02 1sje n TYR 90 Ca -0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.38 1sje n TYR 90 Cb 0.63 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.92 1sje n TYR 90 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1sje n VAL 91 N -2.37 0.51 -2.85 -0.72 0.31 -1.26 -0.85 118.33 111.10 1sje n VAL 91 Ca 0.00 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 63.90 1sje n VAL 91 Cb 0.45 -2.33 0.03 0.00 -0.91 0.00 0.00 33.84 31.08 1sje n VAL 91 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1sje n ASN 92 N 9.53 -4.38 -4.57 4.52 5.03 -1.26 -4.69 115.26 119.44 1sje n ASN 92 Ca 0.27 -0.22 -0.40 0.00 0.87 0.00 0.00 54.58 55.10 1sje n ASN 92 Cb 0.40 -3.17 -0.09 0.00 -1.02 0.00 0.00 39.78 35.90 1sje n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sje s TYR 94 N 2.06 0.61 0.00 0.00 2.02 -1.26 -5.03 117.35 115.75 1sje s TYR 94 Ca 0.13 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1sje s TYR 94 Cb -0.16 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 1sje s TYR 94 CO 0.11 -0.03 0.00 1.97 -1.57 0.00 0.00 175.55 176.03 1sje n PHE 95 N 2.34 0.00 -4.25 2.71 1.16 -1.26 -5.10 117.46 113.06 1sje n PHE 95 Ca -0.17 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.17 1sje n PHE 95 Cb 0.57 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.36 1sje n PHE 95 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1sje s SER 96 N 0.00 4.69 -0.28 5.98 1.04 -1.26 -5.12 113.70 118.75 1sje s SER 96 Ca 0.00 -0.52 -0.24 0.00 0.48 0.00 0.00 55.95 55.67 1sje s SER 96 Cb 0.00 -0.95 0.12 0.00 0.10 0.00 0.00 66.02 65.29 1sje s SER 96 CO 0.00 0.04 0.99 -0.55 0.98 0.00 0.00 173.24 174.70 1sje s SER 97 N -3.37 -0.49 -0.43 7.02 0.15 -1.26 -4.80 113.70 110.51 1sje s SER 97 Ca 0.30 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.88 1sje s SER 97 Cb -0.08 0.97 0.12 0.00 -1.71 0.00 0.00 66.02 65.32 1sje s SER 97 CO 0.20 -0.16 0.19 -1.59 1.20 0.00 0.00 173.24 173.08 1sje s LYS 98 N 0.37 1.89 0.00 5.44 0.00 -1.26 -5.22 119.74 120.96 1sje s LYS 98 Ca 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 55.97 53.92 1sje s LYS 98 Cb -0.05 -3.43 0.00 0.00 0.00 0.00 0.00 37.83 34.35 1sje s LYS 98 CO -0.07 -1.05 0.00 0.41 0.00 0.00 0.00 175.35 174.65 1sje n GLY 106 N 4.09 0.25 3.83 0.59 0.00 -1.26 -5.17 105.19 107.52 1sje n GLY 106 Ca 0.03 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1sje n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sje s GLY 107 N -0.15 1.64 0.20 -0.02 0.00 -1.26 -4.79 107.32 102.94 1sje s GLY 107 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 44.72 44.70 1sje s GLY 107 CO 0.00 0.24 -0.20 0.54 0.00 0.00 0.00 173.10 173.68 1sje s LYS 108 N -5.16 1.43 0.13 2.90 1.02 -1.26 -0.94 119.74 117.87 1sje s LYS 108 Ca 0.59 -1.53 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 1sje s LYS 108 Cb -0.13 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1sje s LYS 108 CO 0.54 0.31 0.34 -0.08 -0.92 0.00 0.00 175.35 175.54 1sje s THR 109 N -2.12 0.08 0.25 2.17 -1.32 -0.85 -4.85 115.64 109.00 1sje s THR 109 Ca 0.21 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 59.82 1sje s THR 109 Cb -0.06 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 1sje s THR 109 CO 0.09 -0.38 -0.06 0.00 -2.21 0.00 0.00 174.62 172.07 1sje n MET 111 N -0.49 0.54 -4.24 0.00 0.00 -0.43 -0.97 117.12 111.53 1sje n MET 111 Ca -0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 57.70 56.22 1sje n MET 111 Cb 0.63 1.71 -0.13 0.00 0.00 0.00 0.00 33.22 35.43 1sje n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1sje s TYR 112 N -2.54 0.93 0.00 3.17 1.51 -1.26 -0.72 117.35 118.44 1sje s TYR 112 Ca 0.21 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1sje s TYR 112 Cb -0.02 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 1sje s TYR 112 CO 0.04 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1sje n GLY 113 N 2.01 2.46 2.19 0.71 0.00 -0.45 -4.69 105.19 107.43 1sje n GLY 113 Ca -0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 1sje n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sje n GLY 114 N 0.00 0.47 3.67 -0.02 0.00 -1.26 -4.83 105.19 103.21 1sje n GLY 114 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1sje n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sje s ILE 115 N -1.87 4.62 -0.00 -0.61 1.09 -1.26 -1.83 121.20 121.33 1sje s ILE 115 Ca 0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 1sje s ILE 115 Cb 0.00 -3.02 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1sje s ILE 115 CO 0.00 0.54 -0.00 0.42 -0.10 0.00 0.00 174.94 175.80 1sje s THR 116 N -0.26 0.04 0.35 2.92 -4.23 -1.03 -4.93 115.64 108.50 1sje s THR 116 Ca 0.07 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 1sje s THR 116 Cb -0.12 -0.06 -0.11 0.00 1.34 0.00 0.00 72.50 73.54 1sje s THR 116 CO 0.02 0.03 1.48 1.17 -0.54 0.00 0.00 174.62 176.77 1sje n LYS 117 N 3.23 2.58 0.04 3.99 4.81 -1.26 -0.82 118.16 130.73 1sje n LYS 117 Ca -0.14 0.91 -0.14 0.00 -0.87 0.00 0.00 58.31 58.07 1sje n LYS 117 Cb 0.58 -2.63 -0.14 0.00 0.02 0.00 0.00 35.03 32.87 1sje n LYS 117 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1sje h HIS 118 N 3.32 0.29 -1.62 5.64 -0.00 -1.55 -3.43 115.15 117.79 1sje h HIS 118 Ca -0.49 -0.21 -0.65 0.00 -0.00 0.00 0.00 60.37 59.01 1sje h HIS 118 Cb 1.25 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 1sje h HIS 118 CO 0.54 1.27 1.22 -1.91 -0.00 0.00 0.00 177.93 179.04 1sje n GLU 119 N -3.36 1.61 -3.91 5.26 4.07 -1.26 -2.68 120.64 120.38 1sje n GLU 119 Ca -0.15 0.54 -0.27 0.00 -0.06 0.00 0.00 57.16 57.22 1sje n GLU 119 Cb 1.03 -2.55 0.01 0.00 -0.06 0.00 0.00 31.44 29.86 1sje n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sje n GLY 120 N 5.24 -0.35 0.00 8.31 0.00 -1.26 -4.86 105.19 112.28 1sje n GLY 120 Ca 0.30 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1sje n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sje n ASN 121 N -2.92 1.45 -4.79 1.61 4.05 -1.09 -4.98 115.26 108.59 1sje n ASN 121 Ca -0.16 -1.56 -0.24 0.00 0.45 0.00 0.00 54.58 53.08 1sje n ASN 121 Cb 0.61 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.57 1sje n ASN 121 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1sje s HIS 122 N -0.56 2.57 -0.18 1.20 3.76 -1.26 -0.85 115.29 119.98 1sje s HIS 122 Ca 0.00 -0.58 -0.06 0.00 -0.15 0.00 0.00 55.06 54.27 1sje s HIS 122 Cb 0.00 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 1sje s HIS 122 CO 0.00 0.06 0.02 -0.06 -0.85 0.00 0.00 174.74 173.91 1sje s PHE 123 N -2.58 3.14 -0.06 1.40 0.40 -1.25 -4.90 117.98 114.12 1sje s PHE 123 Ca 0.42 -0.13 -0.35 0.00 -0.60 0.00 0.00 56.93 56.27 1sje s PHE 123 Cb 0.01 -2.04 -0.13 0.00 0.51 0.00 0.00 43.02 41.37 1sje s PHE 123 CO 0.24 0.02 1.77 -0.40 0.70 0.00 0.00 175.22 177.55 1sje n ASP 124 N 3.67 3.09 -2.18 1.36 5.68 -1.26 -3.68 116.55 123.23 1sje n ASP 124 Ca -0.17 1.02 -0.02 0.00 -0.50 0.00 0.00 54.79 55.12 1sje n ASP 124 Cb 0.52 -1.33 0.01 0.00 -1.14 0.00 0.00 41.12 39.18 1sje n ASP 124 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sje n ASN 125 N 5.57 -4.22 -1.27 -1.12 5.03 -1.26 -4.15 115.26 113.84 1sje n ASN 125 Ca 0.22 -0.13 -0.04 0.00 0.87 0.00 0.00 54.58 55.50 1sje n ASN 125 Cb 0.26 -2.66 -0.01 0.00 -1.02 0.00 0.00 39.78 36.34 1sje n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sje n GLY 126 N -1.35 0.24 3.69 7.41 0.00 -1.24 -4.89 105.19 109.05 1sje n GLY 126 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1sje n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sje s ASN 127 N -1.39 7.09 0.05 1.61 -0.87 -1.25 -5.03 114.94 115.16 1sje s ASN 127 Ca 0.00 1.78 0.01 0.00 -1.57 0.00 0.00 52.86 53.07 1sje s ASN 127 Cb 0.00 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 1sje s ASN 127 CO 0.00 -0.55 0.16 -0.76 -2.57 0.00 0.00 177.10 173.37 1sje s LEU 128 N 2.11 4.15 -0.22 0.60 1.43 -1.26 -4.45 118.68 121.04 1sje s LEU 128 Ca 0.55 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1sje s LEU 128 Cb -0.24 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1sje s LEU 128 CO 0.22 0.19 0.24 -1.58 0.23 0.00 0.00 176.35 175.64 1sje s GLN 129 N -2.35 4.12 0.26 1.70 2.00 0.11 -4.90 119.66 120.60 1sje s GLN 129 Ca 0.31 -0.10 -0.19 0.00 -2.00 0.00 0.00 55.36 53.38 1sje s GLN 129 Cb -0.13 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.08 1sje s GLN 129 CO 0.24 0.06 0.75 -0.80 -0.50 0.00 0.00 175.29 175.05 1sje s ASN 130 N 0.96 7.02 -0.06 6.67 0.01 -1.26 -1.87 114.94 126.41 1sje s ASN 130 Ca 0.12 1.43 0.01 0.00 -0.71 0.00 0.00 52.86 53.70 1sje s ASN 130 Cb -0.14 -2.43 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1sje s ASN 130 CO 0.05 -0.04 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.86 1sje s VAL 131 N -1.65 0.62 0.11 1.60 1.01 -0.08 -4.81 120.40 117.19 1sje s VAL 131 Ca 0.47 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1sje s VAL 131 Cb -0.15 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1sje s VAL 131 CO 0.20 0.26 1.29 -0.22 0.00 0.00 0.00 175.10 176.63 1sje s LEU 132 N 1.13 4.38 -0.11 3.92 2.96 -1.26 -1.63 118.68 128.07 1sje s LEU 132 Ca -0.07 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1sje s LEU 132 Cb -0.14 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1sje s LEU 132 CO -0.01 -0.55 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.68 1sje s VAL 133 N 0.88 1.16 -0.17 1.68 1.01 0.44 -1.31 120.40 124.09 1sje s VAL 133 Ca 0.61 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1sje s VAL 133 Cb -0.34 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1sje s VAL 133 CO 0.31 0.39 -0.10 -0.13 0.00 0.00 0.00 175.10 175.57 1sje s ARG 134 N 1.51 3.38 -0.20 2.72 0.52 -0.24 -1.21 118.95 125.43 1sje s ARG 134 Ca 0.02 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.47 1sje s ARG 134 Cb -0.13 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1sje s ARG 134 CO -0.07 0.05 0.14 0.08 0.02 0.00 0.00 175.30 175.52 1sje s VAL 135 N 0.80 5.40 -0.12 3.52 1.01 0.06 -0.88 120.40 130.19 1sje s VAL 135 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1sje s VAL 135 Cb -0.15 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1sje s VAL 135 CO 0.01 0.43 -0.19 -0.31 0.00 0.00 0.00 175.10 175.04 1sje s TYR 136 N 0.41 2.68 -0.30 5.22 1.51 0.85 -0.43 117.35 127.29 1sje s TYR 136 Ca 0.09 -1.00 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 1sje s TYR 136 Cb -0.11 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 1sje s TYR 136 CO -0.01 -0.41 -0.03 -1.21 -1.11 0.00 0.00 175.55 172.78 1sje s GLU 137 N 0.50 2.23 -0.89 -0.62 2.02 -0.36 -0.12 118.70 121.46 1sje s GLU 137 Ca -0.13 -1.40 -0.01 0.00 0.02 0.00 0.00 54.97 53.45 1sje s GLU 137 Cb -0.17 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1sje s GLU 137 CO 0.05 -0.66 0.75 0.09 0.02 0.00 0.00 175.26 175.51 1sje n ASN 138 N 4.51 -2.65 0.00 -0.19 3.02 -0.32 -3.15 115.26 116.48 1sje n ASN 138 Ca -0.11 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1sje n ASN 138 Cb 0.43 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 1sje n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sje n LYS 139 N -3.36 -0.12 -5.08 3.52 5.02 -1.26 -5.00 118.16 111.88 1sje n LYS 139 Ca -0.17 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.84 1sje n LYS 139 Cb 0.61 -3.27 -0.17 0.00 -0.02 0.00 0.00 35.03 32.18 1sje n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sje s ARG 140 N -0.40 2.97 -0.20 1.97 0.52 -1.19 -5.05 118.95 117.58 1sje s ARG 140 Ca 0.00 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 1sje s ARG 140 Cb 0.00 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.13 1sje s ARG 140 CO 0.00 0.13 2.17 -1.71 0.02 0.00 0.00 175.30 175.92 1sje n ASN 141 N 3.64 3.24 -0.10 0.23 5.15 -1.26 -1.23 115.26 124.94 1sje n ASN 141 Ca -0.19 0.35 -0.24 0.00 -0.60 0.00 0.00 54.58 53.90 1sje n ASN 141 Cb 0.53 -1.51 -0.12 0.00 -0.53 0.00 0.00 39.78 38.15 1sje n ASN 141 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1sje n THR 142 N 7.29 1.57 -3.98 -0.44 -2.24 0.43 -4.94 114.28 111.96 1sje n THR 142 Ca 0.30 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 1sje n THR 142 Cb 0.41 -1.84 -0.09 0.00 -2.10 0.00 0.00 70.33 66.70 1sje n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1sje s ILE 143 N -2.47 0.16 0.01 2.28 -4.36 -1.22 -5.05 121.20 110.56 1sje s ILE 143 Ca -0.32 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1sje s ILE 143 Cb 0.09 -1.12 -0.01 0.00 1.25 0.00 0.00 42.46 42.68 1sje s ILE 143 CO 0.59 -0.74 -0.03 -0.44 0.24 0.00 0.00 174.94 174.56 1sje s SER 144 N -2.44 0.29 0.05 4.36 0.01 -1.26 -0.76 113.70 113.94 1sje s SER 144 Ca -0.00 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 1sje s SER 144 Cb 0.02 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1sje s SER 144 CO -0.07 -0.13 0.10 2.22 0.41 0.00 0.00 173.24 175.77 1sje n PHE 145 N 2.32 -1.17 -4.13 2.43 -1.74 -0.35 -5.02 117.46 109.80 1sje n PHE 145 Ca -0.18 -0.23 -0.13 0.00 -0.56 0.00 0.00 57.45 56.34 1sje n PHE 145 Cb 0.57 0.12 -0.11 0.00 1.52 0.00 0.00 39.48 41.58 1sje n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1sje s GLU 146 N -2.01 0.71 0.29 3.97 2.02 -1.26 -0.42 118.70 122.00 1sje s GLU 146 Ca 0.02 -1.01 0.11 0.00 0.02 0.00 0.00 54.97 54.11 1sje s GLU 146 Cb -0.01 -0.38 -0.05 0.00 0.10 0.00 0.00 34.13 33.79 1sje s GLU 146 CO 0.01 0.05 -0.17 0.14 0.02 0.00 0.00 175.26 175.32 1sje s VAL 147 N -2.17 2.46 0.15 2.63 -7.23 -0.65 -4.89 120.40 110.70 1sje s VAL 147 Ca -0.00 -2.34 0.09 0.00 -1.81 0.00 0.00 61.98 57.92 1sje s VAL 147 Cb -0.05 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1sje s VAL 147 CO -0.01 -0.35 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.12 1sje s GLN 148 N -3.54 1.30 0.05 4.82 -0.21 -1.26 -0.90 119.66 119.91 1sje s GLN 148 Ca 0.31 -1.36 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 1sje s GLN 148 Cb -0.03 -1.52 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 1sje s GLN 148 CO 0.16 0.33 0.07 -0.08 -2.12 0.00 0.00 175.29 173.65 1sje s THR 149 N -1.61 0.16 -2.44 -0.19 -1.32 -0.78 -4.96 115.64 104.50 1sje s THR 149 Ca 0.14 -1.31 0.23 0.00 -1.21 0.00 0.00 61.69 59.55 1sje s THR 149 Cb -0.08 -1.12 0.43 0.00 -1.51 0.00 0.00 72.50 70.22 1sje s THR 149 CO 0.07 -0.72 1.40 -0.90 -2.21 0.00 0.00 174.62 172.25 1sje n ASP 150 N 0.48 3.49 -4.53 8.08 5.75 -1.26 -0.71 116.55 127.84 1sje n ASP 150 Ca -0.17 -1.99 -0.32 0.00 -0.01 0.00 0.00 54.79 52.30 1sje n ASP 150 Cb 0.60 -0.26 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 1sje n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1sje s LYS 151 N -1.46 2.38 -0.06 0.11 1.02 -1.26 -3.97 119.74 116.50 1sje s LYS 151 Ca 0.39 -0.81 -0.26 0.00 0.02 0.00 0.00 55.97 55.31 1sje s LYS 151 Cb 0.23 -2.38 -0.22 0.00 -0.52 0.00 0.00 37.83 34.93 1sje s LYS 151 CO 0.32 0.58 1.07 0.87 -0.92 0.00 0.00 175.35 177.26 1sje h LYS 152 N 4.63 0.06 -4.53 1.68 1.57 -1.34 -3.39 116.57 115.24 1sje h LYS 152 Ca -0.48 -0.05 -0.71 0.00 -1.87 0.00 0.00 60.65 57.54 1sje h LYS 152 Cb 1.16 0.01 -0.27 0.00 0.08 0.00 0.00 32.23 33.21 1sje h LYS 152 CO 0.51 0.76 -0.51 0.45 -0.57 0.00 0.00 179.45 180.09 1sje s SER 153 N -6.02 5.58 0.13 0.86 0.15 -1.26 -0.97 113.70 112.17 1sje s SER 153 Ca -0.17 -1.33 0.08 0.00 0.70 0.00 0.00 55.95 55.24 1sje s SER 153 Cb 0.00 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1sje s SER 153 CO 0.70 -0.46 -0.12 0.54 1.20 0.00 0.00 173.24 175.09 1sje s VAL 154 N 1.44 3.14 0.45 4.45 0.11 -0.66 -4.89 120.40 124.45 1sje s VAL 154 Ca 0.02 -1.47 -0.22 0.00 -2.93 0.00 0.00 61.98 57.38 1sje s VAL 154 Cb -0.21 -2.49 -0.08 0.00 -1.53 0.00 0.00 36.38 32.07 1sje s VAL 154 CO 0.03 0.04 1.07 0.42 -3.33 0.00 0.00 175.10 173.33 1sje s THR 155 N -1.35 3.58 0.37 5.04 -4.23 -1.26 -0.77 115.64 117.03 1sje s THR 155 Ca 0.21 1.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.87 1sje s THR 155 Cb -0.10 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 70.46 1sje s THR 155 CO 0.13 -0.10 2.00 0.00 -0.54 0.00 0.00 174.62 176.11 1sje h ALA 156 N 1.96 1.58 -0.42 3.99 0.00 -1.23 -2.53 119.26 122.61 1sje h ALA 156 Ca -0.49 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.41 1sje h ALA 156 Cb 1.23 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1sje h ALA 156 CO 0.60 0.36 0.11 0.37 0.00 0.00 0.00 179.25 180.69 1sje h GLN 157 N 0.64 0.25 -0.13 0.00 4.15 -1.91 0.25 115.11 118.35 1sje h GLN 157 Ca 0.16 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.59 1sje h GLN 157 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1sje h GLN 157 CO -0.03 0.16 0.01 1.49 -1.93 0.00 0.00 178.83 178.53 1sje h GLU 158 N 0.25 0.06 -0.35 1.69 4.81 -1.69 0.55 114.58 119.90 1sje h GLU 158 Ca 0.20 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1sje h GLU 158 Cb 0.23 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1sje h GLU 158 CO -0.24 0.04 0.19 -0.07 -0.73 0.00 0.00 179.01 178.20 1sje h LEU 159 N 0.06 0.44 0.14 1.64 3.38 -1.33 -1.96 115.31 117.68 1sje h LEU 159 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1sje h LEU 159 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1sje h LEU 159 CO -0.10 0.41 -0.22 -0.78 0.09 0.00 0.00 178.44 177.84 1sje h ASP 160 N 0.44 -0.60 -0.69 -0.43 -0.00 -0.28 -1.02 116.42 113.83 1sje h ASP 160 Ca 0.12 0.07 0.12 0.00 -0.00 0.00 0.00 57.03 57.34 1sje h ASP 160 Cb 0.07 0.22 -0.09 0.00 -0.00 0.00 0.00 39.33 39.53 1sje h ASP 160 CO -0.02 -0.31 0.25 0.40 -0.00 0.00 0.00 179.24 179.56 1sje h ILE 161 N -0.43 0.69 -0.31 2.25 2.04 -0.70 -1.35 117.51 119.69 1sje h ILE 161 Ca 0.02 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1sje h ILE 161 Cb 0.43 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1sje h ILE 161 CO -0.10 0.07 -0.18 0.11 0.00 0.00 0.00 178.15 178.05 1sje h LYS 162 N 0.41 0.56 -0.10 2.37 1.57 -0.95 -1.27 116.57 119.16 1sje h LYS 162 Ca 0.37 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1sje h LYS 162 Cb 0.53 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sje h LYS 162 CO -0.38 0.72 0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1sje h ALA 163 N 1.30 0.13 -0.03 3.86 0.00 -0.16 -2.66 119.26 121.69 1sje h ALA 163 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1sje h ALA 163 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sje h ALA 163 CO 0.04 -0.21 -0.33 0.00 0.00 0.00 0.00 179.25 178.74 1sje h ARG 164 N -0.08 0.06 -0.51 0.00 3.08 -1.19 -1.27 114.38 114.46 1sje h ARG 164 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sje h ARG 164 Cb 0.30 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1sje h ARG 164 CO 0.00 0.39 0.27 -0.97 -1.07 0.00 0.00 179.97 178.60 1sje h ASN 165 N 0.06 0.65 -0.07 7.04 -1.24 -1.10 -0.76 115.58 120.15 1sje h ASN 165 Ca 0.01 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1sje h ASN 165 Cb 0.62 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 1sje h ASN 165 CO 0.05 0.56 0.03 0.15 -1.29 0.00 0.00 177.43 176.93 1sje h PHE 166 N 0.68 0.11 0.00 0.67 3.57 -1.08 -2.98 116.94 117.92 1sje h PHE 166 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1sje h PHE 166 Cb 0.06 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1sje h PHE 166 CO -0.01 0.22 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.03 1sje h LEU 167 N -0.03 0.00 -0.24 0.59 3.38 -1.04 -1.12 115.31 116.86 1sje h LEU 167 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1sje h LEU 167 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sje h LEU 167 CO -0.00 0.18 -0.09 0.40 0.09 0.00 0.00 178.44 179.02 1sje h ILE 168 N 0.00 1.30 -0.10 1.22 2.04 -1.03 0.34 117.51 121.28 1sje h ILE 168 Ca -0.00 -1.14 -0.19 0.00 1.00 0.00 0.00 64.86 64.53 1sje h ILE 168 Cb 0.39 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1sje h ILE 168 CO 0.02 0.35 -0.73 0.78 0.00 0.00 0.00 178.15 178.58 1sje h ASN 169 N 0.20 0.60 0.00 1.72 2.35 -1.33 -2.59 115.58 116.53 1sje h ASN 169 Ca 0.06 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1sje h ASN 169 Cb 0.58 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1sje h ASN 169 CO 0.03 1.14 -1.06 0.29 -1.65 0.00 0.00 177.43 176.18 1sje n LYS 170 N -3.87 1.07 0.00 0.81 5.02 -0.45 -4.57 118.16 116.18 1sje n LYS 170 Ca -0.05 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1sje n LYS 170 Cb 0.71 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1sje n LYS 170 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sje n LYS 171 N -1.58 0.79 -4.06 1.97 4.76 0.11 -5.01 118.16 115.15 1sje n LYS 171 Ca 0.02 -0.74 -0.32 0.00 -2.87 0.00 0.00 58.31 54.39 1sje n LYS 171 Cb 0.32 -0.65 -0.00 0.00 -1.84 0.00 0.00 35.03 32.86 1sje n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sje n ASN 172 N -0.13 -3.66 -0.30 4.39 3.02 -0.80 -4.82 115.26 112.96 1sje n ASN 172 Ca 0.00 -0.91 0.09 0.00 -0.03 0.00 0.00 54.58 53.74 1sje n ASN 172 Cb 0.41 -3.31 0.22 0.00 -0.61 0.00 0.00 39.78 36.49 1sje n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sje h LEU 173 N -1.79 -0.38 -8.26 3.41 5.85 -1.57 -3.39 115.31 109.17 1sje h LEU 173 Ca -0.59 0.23 -0.53 0.00 0.84 0.00 0.00 57.88 57.83 1sje h LEU 173 Cb 1.38 0.40 -0.30 0.00 0.37 0.00 0.00 40.66 42.51 1sje h LEU 173 CO 0.72 -0.24 -0.83 -0.31 -0.34 0.00 0.00 178.44 177.44 1sje s TYR 174 N -6.07 1.50 0.40 1.25 4.12 -1.26 -4.45 117.35 112.84 1sje s TYR 174 Ca -0.13 -0.32 0.04 0.00 0.02 0.00 0.00 57.07 56.68 1sje s TYR 174 Cb 0.25 -0.98 -0.05 0.00 -1.52 0.00 0.00 41.96 39.66 1sje s TYR 174 CO 0.77 -0.06 0.04 -1.21 0.02 0.00 0.00 175.55 175.11 1sje s GLU 175 N -0.27 1.89 0.14 -0.62 2.02 -0.99 -4.94 118.70 115.92 1sje s GLU 175 Ca 0.04 -2.10 -0.26 0.00 0.02 0.00 0.00 54.97 52.67 1sje s GLU 175 Cb -0.07 -1.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.95 1sje s GLU 175 CO -0.00 -0.21 1.60 0.35 0.02 0.00 0.00 175.26 177.02 1sje h PHE 176 N 1.82 -0.92 -3.59 1.61 3.57 -1.94 -2.98 116.94 114.51 1sje h PHE 176 Ca -0.42 0.04 -0.62 0.00 3.53 0.00 0.00 57.97 60.51 1sje h PHE 176 Cb 1.26 0.43 -0.38 0.00 2.79 0.00 0.00 35.95 40.06 1sje h PHE 176 CO 0.92 -0.40 -0.80 0.54 -2.23 0.00 0.00 178.31 176.35 1sje s ASN 177 N -4.95 3.76 0.00 0.41 4.22 -1.26 0.63 114.94 117.74 1sje s ASN 177 Ca -0.15 -1.10 0.00 0.00 -2.14 0.00 0.00 52.86 49.47 1sje s ASN 177 Cb 0.11 -1.24 0.00 0.00 1.28 0.00 0.00 41.25 41.40 1sje s ASN 177 CO 0.66 -0.20 0.00 -0.24 -2.04 0.00 0.00 177.10 175.28 1sje n SER 178 N 4.65 -0.06 -4.12 3.54 2.88 -1.26 -4.89 113.62 114.36 1sje n SER 178 Ca -0.13 0.01 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 1sje n SER 178 Cb 0.45 -0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 1sje n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1sje s SER 179 N -2.88 0.96 0.27 -3.46 0.15 -1.26 -2.36 113.70 105.12 1sje s SER 179 Ca 0.00 -0.83 0.25 0.00 0.70 0.00 0.00 55.95 56.07 1sje s SER 179 Cb 0.00 0.08 0.97 0.00 -1.71 0.00 0.00 66.02 65.36 1sje s SER 179 CO 0.00 -0.38 1.74 -0.65 1.20 0.00 0.00 173.24 175.15 1sje h PRO 180 N 3.58 0.00 -6.29 5.44 0.11 -1.78 -3.44 132.00 129.63 1sje h PRO 180 Ca -0.35 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.12 1sje h PRO 180 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1sje h PRO 180 CO 0.55 0.00 -0.64 0.71 -0.21 0.00 0.00 178.00 178.42 1sje s TYR 181 N -3.30 3.05 -0.18 0.65 1.51 -1.26 -4.45 117.35 113.37 1sje s TYR 181 Ca 0.05 -0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.96 1sje s TYR 181 Cb 0.10 -1.54 -0.22 0.00 -0.11 0.00 0.00 41.96 40.19 1sje s TYR 181 CO 0.44 0.50 0.24 -1.91 -1.11 0.00 0.00 175.55 173.71 1sje n GLU 182 N 0.38 0.65 -4.29 -0.62 4.07 0.25 -4.59 120.64 116.49 1sje n GLU 182 Ca -0.10 0.42 -0.16 0.00 -0.06 0.00 0.00 57.16 57.26 1sje n GLU 182 Cb 0.52 -1.71 -0.10 0.00 -0.06 0.00 0.00 31.44 30.09 1sje n GLU 182 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1sje s THR 183 N -2.46 1.02 -0.28 6.31 -4.23 -1.19 -1.26 115.64 113.55 1sje s THR 183 Ca -0.27 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 57.95 1sje s THR 183 Cb 0.07 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.91 1sje s THR 183 CO 0.66 -0.48 1.24 -0.83 -0.54 0.00 0.00 174.62 174.68 1sje s GLY 184 N -3.24 0.10 -0.11 3.99 0.00 -1.26 -2.25 107.32 104.54 1sje s GLY 184 Ca 0.24 3.05 -0.16 0.00 0.00 0.00 0.00 44.72 47.85 1sje s GLY 184 CO 0.05 1.80 0.42 -2.52 0.00 0.00 0.00 173.10 172.86 1sje s TYR 185 N -0.01 -0.41 -0.22 1.90 -0.85 -0.83 -0.61 117.35 116.32 1sje s TYR 185 Ca 0.05 0.92 -0.07 0.00 -0.52 0.00 0.00 57.07 57.46 1sje s TYR 185 Cb -0.05 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 1sje s TYR 185 CO -0.10 -0.30 0.06 -1.50 -1.52 0.00 0.00 175.55 172.18 1sje s ILE 186 N -0.30 4.36 -0.13 -3.49 2.07 -0.41 -1.42 121.20 121.88 1sje s ILE 186 Ca -0.04 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1sje s ILE 186 Cb -0.03 -3.01 -0.03 0.00 0.13 0.00 0.00 42.46 39.52 1sje s ILE 186 CO 0.02 0.38 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.65 1sje s LYS 187 N 1.21 3.44 -0.15 3.50 2.20 0.11 -1.49 119.74 128.56 1sje s LYS 187 Ca 0.04 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 1sje s LYS 187 Cb -0.14 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1sje s LYS 187 CO 0.03 0.37 0.02 -0.06 -0.36 0.00 0.00 175.35 175.35 1sje s PHE 188 N 0.01 3.17 -0.21 4.03 0.40 0.33 -0.91 117.98 124.79 1sje s PHE 188 Ca 0.01 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1sje s PHE 188 Cb -0.13 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1sje s PHE 188 CO 0.03 0.19 -0.15 0.42 0.70 0.00 0.00 175.22 176.40 1sje s ILE 189 N 0.02 2.04 0.25 0.64 1.01 -0.00 -2.33 121.20 122.82 1sje s ILE 189 Ca 0.03 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 1sje s ILE 189 Cb -0.13 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 1sje s ILE 189 CO 0.02 0.28 0.58 -1.61 0.00 0.00 0.00 174.94 174.21 1sje s GLU 190 N 1.24 3.81 0.00 2.79 2.02 0.08 -1.44 118.70 127.20 1sje s GLU 190 Ca -0.01 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.29 1sje s GLU 190 Cb -0.16 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1sje s GLU 190 CO -0.09 0.27 0.70 0.27 0.02 0.00 0.00 175.26 176.43 1sje n ASN 191 N -0.28 0.00 -1.05 -0.19 6.94 -1.26 -0.25 115.26 119.17 1sje n ASN 191 Ca 0.01 0.23 0.08 0.00 -0.02 0.00 0.00 54.58 54.89 1sje n ASN 191 Cb 0.53 -0.23 0.25 0.00 -2.36 0.00 0.00 39.78 37.96 1sje n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1sje n ASN 192 N -1.20 3.67 0.00 0.53 6.94 -1.26 -4.95 115.26 118.98 1sje n ASN 192 Ca 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 1sje n ASN 192 Cb 0.04 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1sje n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sje n GLY 193 N 0.87 2.91 3.74 4.83 0.00 0.66 -5.03 105.19 113.17 1sje n GLY 193 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1sje n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sje s ASN 194 N -1.41 6.89 0.06 1.61 2.47 -1.25 -4.77 114.94 118.53 1sje s ASN 194 Ca 0.00 2.43 0.03 0.00 0.42 0.00 0.00 52.86 55.74 1sje s ASN 194 Cb 0.00 -2.61 -0.03 0.00 -1.45 0.00 0.00 41.25 37.16 1sje s ASN 194 CO 0.00 -0.52 -0.09 0.42 -3.72 0.00 0.00 177.10 173.18 1sje s THR 195 N -0.03 0.73 0.05 -5.21 -4.23 -1.26 -0.74 115.64 104.94 1sje s THR 195 Ca 0.56 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.65 1sje s THR 195 Cb -0.37 -0.85 0.04 0.00 1.34 0.00 0.00 72.50 72.66 1sje s THR 195 CO 0.40 -0.39 0.42 0.72 -0.54 0.00 0.00 174.62 175.22 1sje s PHE 196 N -1.58 -0.27 0.09 3.99 -0.12 -0.99 -1.83 117.98 117.28 1sje s PHE 196 Ca -0.05 0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 57.04 1sje s PHE 196 Cb -0.08 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1sje s PHE 196 CO 0.01 -0.58 -0.01 1.67 -0.05 0.00 0.00 175.22 176.25 1sje s TRP 197 N -2.55 0.75 0.01 3.49 1.48 -1.26 -0.51 118.94 120.34 1sje s TRP 197 Ca -0.05 -1.07 0.06 0.00 -1.06 0.00 0.00 56.10 53.98 1sje s TRP 197 Cb -0.01 -0.47 -0.02 0.00 -1.16 0.00 0.00 33.47 31.82 1sje s TRP 197 CO -0.03 -0.35 -0.18 0.71 -4.06 0.00 0.00 176.95 173.04 1sje s TYR 198 N -3.86 1.63 0.12 1.66 4.12 -0.55 -4.96 117.35 115.51 1sje s TYR 198 Ca 0.14 -0.34 -0.29 0.00 0.02 0.00 0.00 57.07 56.60 1sje s TYR 198 Cb 0.07 -1.01 -0.06 0.00 -1.52 0.00 0.00 41.96 39.44 1sje s TYR 198 CO -0.05 0.02 0.93 0.34 0.02 0.00 0.00 175.55 176.81 1sje s ASP 199 N -0.79 7.48 0.00 2.29 -1.08 -1.26 -1.29 116.67 122.01 1sje s ASP 199 Ca 0.06 1.76 0.24 0.00 -0.52 0.00 0.00 52.55 54.10 1sje s ASP 199 Cb -0.08 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 39.06 1sje s ASP 199 CO 0.00 -0.02 1.26 0.23 0.52 0.00 0.00 175.17 177.16 1sje n MET 200 N 2.59 1.38 -4.08 4.34 2.81 0.23 -4.92 117.12 119.46 1sje n MET 200 Ca 0.01 -1.07 -0.28 0.00 -1.81 0.00 0.00 57.70 54.55 1sje n MET 200 Cb 0.49 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 1sje n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1sje s MET 201 N -2.36 2.86 0.57 0.03 -1.94 -1.26 -4.97 119.30 112.23 1sje s MET 201 Ca 0.23 -0.81 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 1sje s MET 201 Cb 0.19 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 1sje s MET 201 CO 0.50 0.51 1.11 -1.25 -0.01 0.00 0.00 175.02 175.88 1sje s PRO 202 N -2.82 3.27 0.66 2.03 0.04 -1.26 -4.83 135.00 132.09 1sje s PRO 202 Ca 0.30 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 1sje s PRO 202 Cb -0.11 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1sje s PRO 202 CO 0.22 -0.89 1.17 0.00 0.04 0.00 0.00 177.00 177.55 1sje n ALA 203 N -1.61 0.70 -1.72 8.56 0.00 -1.26 -4.66 120.51 120.51 1sje n ALA 203 Ca 0.11 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1sje n ALA 203 Cb 0.52 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.78 1sje n ALA 203 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sje n PRO 204 N -1.78 1.22 0.00 0.00 -0.04 -1.26 -4.75 135.00 128.39 1sje n PRO 204 Ca 0.15 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1sje n PRO 204 Cb 0.48 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1sje n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sje n GLY 205 N 0.92 0.85 0.87 0.55 0.00 -0.61 -4.89 105.19 102.88 1sje n GLY 205 Ca 0.15 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.21 1sje n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sje n ASP 206 N 2.15 3.13 -3.75 1.61 5.75 -1.26 0.52 116.55 124.70 1sje n ASP 206 Ca 0.00 -1.92 -0.13 0.00 -0.01 0.00 0.00 54.79 52.73 1sje n ASP 206 Cb 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 1sje n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1sje s LYS 207 N -1.09 0.16 -0.23 0.11 1.02 -1.26 -3.86 119.74 114.59 1sje s LYS 207 Ca 0.31 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.56 1sje s LYS 207 Cb 0.17 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1sje s LYS 207 CO 0.23 -0.14 0.33 0.12 -0.92 0.00 0.00 175.35 174.97 1sje s PHE 208 N 1.01 3.32 -0.70 3.18 5.36 -1.26 -4.94 117.98 123.95 1sje s PHE 208 Ca -0.08 0.46 -0.16 0.00 -0.96 0.00 0.00 56.93 56.19 1sje s PHE 208 Cb -0.09 -2.48 0.16 0.00 -0.34 0.00 0.00 43.02 40.26 1sje s PHE 208 CO -0.06 -0.07 0.71 0.34 -1.46 0.00 0.00 175.22 174.68 1sje s ASP 209 N 1.25 6.45 0.14 6.13 -1.08 -1.26 -4.93 116.67 123.36 1sje s ASP 209 Ca 0.15 -2.08 -0.20 0.00 -0.52 0.00 0.00 52.55 49.91 1sje s ASP 209 Cb -0.15 -2.25 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1sje s ASP 209 CO 0.08 -0.83 1.69 1.56 0.52 0.00 0.00 175.17 178.19 1sje h GLN 210 N 8.53 -0.04 -0.31 4.34 4.20 -1.92 -1.02 115.11 128.89 1sje h GLN 210 Ca -0.10 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1sje h GLN 210 Cb 1.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 1sje h GLN 210 CO 0.95 -0.03 0.03 1.03 -0.67 0.00 0.00 178.83 180.14 1sje h SER 211 N -0.04 -0.06 -0.61 1.46 0.87 -1.92 -0.99 113.55 112.26 1sje h SER 211 Ca 0.12 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1sje h SER 211 Cb 0.23 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1sje h SER 211 CO -0.27 0.00 0.21 0.50 -0.53 0.00 0.00 176.83 176.74 1sje h LYS 212 N 0.13 0.94 -0.18 2.24 1.63 -1.91 -2.66 116.57 116.76 1sje h LYS 212 Ca 0.15 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1sje h LYS 212 Cb 0.18 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1sje h LYS 212 CO -0.23 0.82 0.06 -0.92 -3.45 0.00 0.00 179.45 175.73 1sje h TYR 213 N 0.87 0.28 0.00 1.91 3.20 -0.80 -2.86 116.97 119.57 1sje h TYR 213 Ca 0.20 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1sje h TYR 213 Cb 0.26 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1sje h TYR 213 CO 0.02 0.37 0.00 1.28 -1.64 0.00 0.00 178.16 178.19 1sje n LEU 214 N -4.82 0.48 0.24 2.82 4.77 -0.41 -2.81 117.00 117.27 1sje n LEU 214 Ca -0.04 0.63 0.16 0.00 -0.03 0.00 0.00 56.01 56.73 1sje n LEU 214 Cb 0.14 -0.58 0.86 0.00 -2.33 0.00 0.00 43.42 41.52 1sje n LEU 214 CO 0.35 -0.52 0.99 -0.03 -1.33 0.00 0.00 177.39 176.85 1sje h MET 215 N 0.00 0.00 0.00 3.23 4.05 -1.23 -1.63 114.93 119.35 1sje h MET 215 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1sje h MET 215 Cb 0.30 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1sje h MET 215 CO 0.00 0.00 -0.11 0.00 0.23 0.00 0.00 176.91 177.03 1sje h MET 216 N 0.00 0.00 0.00 0.39 -0.00 -1.72 -0.57 114.93 113.03 1sje h MET 216 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1sje h MET 216 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 1sje h MET 216 CO 0.00 0.11 0.00 0.66 -0.00 0.00 0.00 176.91 177.68 1sje n TYR 217 N -3.61 0.00 -0.18 -0.10 0.53 -0.61 -4.14 117.16 109.05 1sje n TYR 217 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.83 1sje n TYR 217 Cb 0.23 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.58 1sje n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1sje h ASN 218 N 0.00 -0.73 0.10 7.72 -0.00 -1.28 -2.53 115.58 118.86 1sje h ASN 218 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1sje h ASN 218 Cb 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 38.32 38.74 1sje h ASN 218 CO 0.00 -0.24 0.00 -0.90 -0.00 0.00 0.00 177.43 176.29 1sje n ASP 219 N -5.41 0.00 -3.57 1.15 5.68 -1.26 -2.17 116.55 110.97 1sje n ASP 219 Ca 0.05 0.49 -0.26 0.00 -0.50 0.00 0.00 54.79 54.58 1sje n ASP 219 Cb 0.32 -0.49 0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1sje n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1sje n ASN 220 N -1.49 -5.61 -4.69 -1.12 5.15 -0.96 -4.86 115.26 101.68 1sje n ASN 220 Ca 0.01 -0.56 -0.44 0.00 -0.60 0.00 0.00 54.58 52.99 1sje n ASN 220 Cb 0.03 -4.47 -0.04 0.00 -0.53 0.00 0.00 39.78 34.78 1sje n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1sje n LYS 221 N -4.61 2.55 -4.41 1.20 0.00 -1.26 -4.89 118.16 106.74 1sje n LYS 221 Ca -0.00 0.92 -0.26 0.00 0.00 0.00 0.00 58.31 58.97 1sje n LYS 221 Cb 0.56 -2.77 -0.11 0.00 0.00 0.00 0.00 35.03 32.71 1sje n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1sje s THR 222 N 2.10 2.58 0.09 3.15 -4.23 -1.26 -0.67 115.64 117.40 1sje s THR 222 Ca 0.81 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.21 1sje s THR 222 Cb -0.56 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1sje s THR 222 CO 0.38 -0.20 0.11 0.68 -0.54 0.00 0.00 174.62 175.05 1sje s VAL 223 N -1.91 0.15 -0.47 2.29 -7.23 0.05 -4.86 120.40 108.41 1sje s VAL 223 Ca 0.24 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.60 1sje s VAL 223 Cb -0.07 -1.59 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1sje s VAL 223 CO 0.12 -0.68 1.07 -0.62 -0.31 0.00 0.00 175.10 174.68 1sje s ASP 224 N -2.93 6.58 0.46 4.85 2.15 -1.26 -1.66 116.67 124.87 1sje s ASP 224 Ca 0.11 0.34 0.13 0.00 0.43 0.00 0.00 52.55 53.55 1sje s ASP 224 Cb 0.06 -2.52 1.06 0.00 -0.30 0.00 0.00 42.92 41.23 1sje s ASP 224 CO -0.07 -1.19 2.07 0.77 -0.17 0.00 0.00 175.17 176.58 1sje h SER 225 N 9.18 0.27 1.29 -0.34 4.64 -1.31 0.56 113.55 127.83 1sje h SER 225 Ca -0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1sje h SER 225 Cb 1.07 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1sje h SER 225 CO 1.09 0.18 0.00 0.07 -0.87 0.00 0.00 176.83 177.31 1sje h LYS 226 N 0.31 0.00 0.00 4.77 2.10 -1.88 -3.36 116.57 118.51 1sje h LYS 226 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1sje h LYS 226 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1sje h LYS 226 CO -0.03 0.00 -0.50 -1.13 -2.00 0.00 0.00 179.45 175.79 1sje n SER 227 N -2.44 2.50 -4.78 7.07 3.41 -0.95 -5.07 113.62 113.36 1sje n SER 227 Ca 0.04 -0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 1sje n SER 227 Cb 0.37 0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 1sje n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sje s VAL 228 N -1.28 3.36 0.09 -3.33 0.11 0.15 -4.35 120.40 115.15 1sje s VAL 228 Ca 0.00 0.97 0.08 0.00 -2.93 0.00 0.00 61.98 60.11 1sje s VAL 228 Cb 0.00 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1sje s VAL 228 CO 0.00 -0.06 -0.22 -0.54 -3.33 0.00 0.00 175.10 170.95 1sje s LYS 229 N -2.81 1.27 -0.03 1.54 1.02 -0.52 -4.51 119.74 115.70 1sje s LYS 229 Ca 0.64 -1.12 0.06 0.00 0.02 0.00 0.00 55.97 55.57 1sje s LYS 229 Cb -0.25 -1.52 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 1sje s LYS 229 CO 0.30 0.37 -0.20 0.42 -0.92 0.00 0.00 175.35 175.31 1sje s ILE 230 N -1.02 1.62 -0.08 2.17 1.01 -0.43 -0.82 121.20 123.65 1sje s ILE 230 Ca 0.08 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1sje s ILE 230 Cb -0.10 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1sje s ILE 230 CO 0.04 0.46 -0.09 -1.61 0.00 0.00 0.00 174.94 173.73 1sje s GLU 231 N -0.29 1.49 -0.30 2.79 2.02 -0.09 -1.08 118.70 123.24 1sje s GLU 231 Ca 0.03 -0.30 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 1sje s GLU 231 Cb -0.10 -1.39 -0.00 0.00 0.10 0.00 0.00 34.13 32.75 1sje s GLU 231 CO 0.01 -0.11 0.12 0.08 0.02 0.00 0.00 175.26 175.37 1sje s VAL 232 N 1.13 4.29 -0.31 2.63 1.01 -0.06 0.09 120.40 129.18 1sje s VAL 232 Ca -0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1sje s VAL 232 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1sje s VAL 232 CO -0.02 0.08 0.13 -1.00 0.00 0.00 0.00 175.10 174.30 1sje s HIS 233 N 1.56 3.17 0.37 5.22 3.76 -0.51 -0.10 115.29 128.76 1sje s HIS 233 Ca 0.04 -0.75 0.08 0.00 -0.15 0.00 0.00 55.06 54.28 1sje s HIS 233 Cb -0.17 -2.32 -0.07 0.00 1.11 0.00 0.00 32.58 31.13 1sje s HIS 233 CO 0.04 -0.51 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.90 1sje s LEU 234 N 1.57 2.86 -0.10 0.89 1.43 0.83 -1.96 118.68 124.20 1sje s LEU 234 Ca 0.04 -1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 51.82 1sje s LEU 234 Cb -0.17 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1sje s LEU 234 CO 0.05 -0.33 0.28 0.42 0.23 0.00 0.00 176.35 177.00 1sje s THR 235 N -2.63 0.00 0.28 5.49 -4.23 -0.95 -1.17 115.64 112.43 1sje s THR 235 Ca 0.35 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1sje s THR 235 Cb 0.05 -0.40 -0.07 0.00 1.34 0.00 0.00 72.50 73.42 1sje s THR 235 CO 0.18 -0.01 0.61 0.42 -0.54 0.00 0.00 174.62 175.28 1sje s THR 236 N 0.07 4.89 0.14 3.99 -4.23 -1.26 0.86 115.64 120.11 1sje s THR 236 Ca -0.01 0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 1sje s THR 236 Cb -0.02 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 1sje s THR 236 CO 0.01 -0.21 1.56 0.50 -0.54 0.00 0.00 174.62 175.93 1sje h LYS 237 N 2.11 -0.34 0.00 3.99 3.64 -1.89 -3.31 116.57 120.77 1sje h LYS 237 Ca -0.47 0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.64 1sje h LYS 237 Cb 1.18 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1sje h LYS 237 CO 0.67 -0.23 -1.60 0.27 -2.27 0.00 0.00 179.45 176.30 1sje n ASN 238 N -5.39 1.89 0.00 4.20 0.23 -1.26 -5.02 115.26 109.91 1sje n ASN 238 Ca -0.02 0.40 0.00 0.00 -0.53 0.00 0.00 54.58 54.44 1sje n ASN 238 Cb 0.35 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 1sje n ASN 238 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94