#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xss s SER 2 N 0.00 5.96 -0.01 4.52 0.15 -1.26 -4.92 113.70 118.14 1xss s SER 2 Ca 0.00 0.30 0.21 0.00 0.70 0.00 0.00 55.95 57.16 1xss s SER 2 Cb 0.00 -1.90 0.60 0.00 -1.71 0.00 0.00 66.02 63.01 1xss s SER 2 CO 0.00 0.34 1.50 1.33 1.20 0.00 0.00 173.24 177.61 1xss n VAL 3 N 2.42 1.06 -2.34 4.45 0.24 -1.26 -4.98 118.33 117.93 1xss n VAL 3 Ca -0.19 -1.02 -0.39 0.00 -2.04 0.00 0.00 64.34 60.71 1xss n VAL 3 Cb 0.54 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 1xss n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xss s ILE 4 N -1.06 3.23 0.23 1.34 -1.09 -1.26 -5.03 121.20 117.56 1xss s ILE 4 Ca 0.45 1.07 0.05 0.00 -2.23 0.00 0.00 60.65 60.00 1xss s ILE 4 Cb 0.24 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1xss s ILE 4 CO 0.30 0.13 -0.06 0.28 -1.23 0.00 0.00 174.94 174.37 1xss s THR 5 N -1.38 1.35 0.32 2.92 -1.32 -1.26 -5.07 115.64 111.21 1xss s THR 5 Ca 0.54 -2.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.01 1xss s THR 5 Cb -0.31 -2.27 0.31 0.00 -1.51 0.00 0.00 72.50 68.73 1xss s THR 5 CO 0.39 -0.42 1.77 0.28 -2.21 0.00 0.00 174.62 174.43 1xss h SER 6 N 2.46 0.74 -3.38 8.08 0.02 -1.96 -3.40 113.55 116.11 1xss h SER 6 Ca -0.39 0.10 -0.62 0.00 -0.84 0.00 0.00 61.79 60.04 1xss h SER 6 Cb 1.22 -0.03 -0.37 0.00 0.14 0.00 0.00 62.40 63.37 1xss h SER 6 CO 0.65 0.23 -0.82 -1.61 -1.14 0.00 0.00 176.83 174.14 1xss s GLU 7 N -5.80 2.19 0.02 3.45 2.02 -1.26 -3.89 118.70 115.43 1xss s GLU 7 Ca -0.11 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.06 1xss s GLU 7 Cb 0.25 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 1xss s GLU 7 CO 0.80 -0.39 -0.08 -1.64 0.02 0.00 0.00 175.26 173.97 1xss s MET 8 N 1.37 0.57 0.41 1.61 -1.94 -0.71 -4.92 119.30 115.70 1xss s MET 8 Ca -0.00 -0.48 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1xss s MET 8 Cb -0.16 -0.49 0.00 0.00 2.01 0.00 0.00 34.83 36.20 1xss s MET 8 CO -0.09 0.12 0.52 0.15 -0.01 0.00 0.00 175.02 175.71 1xss s LYS 9 N -0.77 2.78 -0.05 2.03 1.02 -0.04 -0.07 119.74 124.63 1xss s LYS 9 Ca -0.02 -1.29 -0.10 0.00 0.02 0.00 0.00 55.97 54.58 1xss s LYS 9 Cb -0.06 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1xss s LYS 9 CO 0.00 -0.23 0.24 0.00 -0.92 0.00 0.00 175.35 174.44 1xss s MET 10 N -4.29 0.44 0.02 1.68 0.23 -0.64 0.00 119.30 116.74 1xss s MET 10 Ca 0.53 0.04 0.05 0.00 -1.03 0.00 0.00 55.69 55.28 1xss s MET 10 Cb -0.08 0.20 -0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1xss s MET 10 CO 0.32 -0.09 -0.14 -1.21 -2.03 0.00 0.00 175.02 171.86 1xss s GLU 11 N -0.59 1.05 0.10 3.16 2.02 -0.14 -1.05 118.70 123.25 1xss s GLU 11 Ca -0.07 -0.65 -0.11 0.00 0.02 0.00 0.00 54.97 54.17 1xss s GLU 11 Cb -0.04 -1.04 0.01 0.00 0.10 0.00 0.00 34.13 33.16 1xss s GLU 11 CO 0.02 0.27 0.25 -0.48 0.02 0.00 0.00 175.26 175.34 1xss s LEU 12 N -0.76 1.14 -0.03 1.80 0.05 -0.02 -0.65 118.68 120.21 1xss s LEU 12 Ca 0.04 -0.58 -0.01 0.00 0.05 0.00 0.00 54.13 53.63 1xss s LEU 12 Cb -0.07 1.25 0.03 0.00 -2.05 0.00 0.00 46.19 45.35 1xss s LEU 12 CO 0.00 -0.77 0.05 -0.60 -0.55 0.00 0.00 176.35 174.48 1xss s ARG 13 N -3.85 -0.06 -0.11 1.48 3.52 -1.00 -1.49 118.95 117.44 1xss s ARG 13 Ca 0.05 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 1xss s ARG 13 Cb 0.04 -0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 1xss s ARG 13 CO -0.11 -0.25 -0.18 1.41 -0.81 0.00 0.00 175.30 175.36 1xss s MET 14 N 1.61 3.12 -0.04 5.12 -2.45 0.23 -1.37 119.30 125.51 1xss s MET 14 Ca -0.02 -0.78 0.05 0.00 -1.25 0.00 0.00 55.69 53.69 1xss s MET 14 Cb -0.13 -2.45 -0.01 0.00 1.25 0.00 0.00 34.83 33.50 1xss s MET 14 CO -0.03 0.25 -0.19 -1.21 1.05 0.00 0.00 175.02 174.89 1xss s GLU 15 N 0.21 1.97 0.00 4.11 2.02 -0.65 -0.49 118.70 125.86 1xss s GLU 15 Ca -0.11 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1xss s GLU 15 Cb -0.16 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1xss s GLU 15 CO 0.06 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1xss n GLY 16 N 3.05 1.41 3.56 -1.39 0.00 -0.69 -1.62 105.19 109.52 1xss n GLY 16 Ca -0.18 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 1xss n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xss s ALA 17 N -1.00 -1.69 -0.11 4.61 0.00 -0.24 -1.60 121.76 121.74 1xss s ALA 17 Ca 0.00 1.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1xss s ALA 17 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1xss s ALA 17 CO 0.00 -0.33 -0.07 0.08 0.00 0.00 0.00 175.76 175.44 1xss s VAL 18 N -0.11 0.93 -1.36 0.00 1.01 -0.69 -0.97 120.40 119.21 1xss s VAL 18 Ca -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1xss s VAL 18 Cb -0.03 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1xss s VAL 18 CO 0.04 0.35 0.43 0.59 0.00 0.00 0.00 175.10 176.51 1xss n ASN 19 N 4.95 -4.62 0.00 3.32 5.03 0.17 -0.81 115.26 123.30 1xss n ASN 19 Ca -0.12 -0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.09 1xss n ASN 19 Cb 0.50 -3.80 0.00 0.00 -1.02 0.00 0.00 39.78 35.46 1xss n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xss n GLY 20 N -1.22 1.36 3.57 7.41 0.00 -1.26 -5.02 105.19 110.03 1xss n GLY 20 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1xss n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xss s HIS 21 N -3.01 3.04 0.46 1.61 5.04 0.01 -5.02 115.29 117.41 1xss s HIS 21 Ca 0.00 0.41 -0.20 0.00 -1.54 0.00 0.00 55.06 53.73 1xss s HIS 21 Cb 0.00 -3.61 -0.10 0.00 0.04 0.00 0.00 32.58 28.92 1xss s HIS 21 CO 0.00 -0.89 0.99 0.15 -2.34 0.00 0.00 174.74 172.65 1xss s LYS 22 N 3.31 4.02 0.14 2.88 1.02 -1.26 -1.70 119.74 128.15 1xss s LYS 22 Ca 0.32 1.20 -0.24 0.00 0.02 0.00 0.00 55.97 57.28 1xss s LYS 22 Cb -0.12 -2.14 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1xss s LYS 22 CO 0.21 -0.22 0.65 -0.59 -0.92 0.00 0.00 175.35 174.48 1xss s PHE 23 N -2.14 -0.49 -0.02 3.18 -0.12 -0.63 -4.17 117.98 113.59 1xss s PHE 23 Ca 0.64 0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.80 1xss s PHE 23 Cb -0.12 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1xss s PHE 23 CO 0.17 -0.82 0.01 0.08 -0.05 0.00 0.00 175.22 174.61 1xss s VAL 24 N -3.66 0.09 -0.02 -2.49 1.01 -0.43 -1.71 120.40 113.18 1xss s VAL 24 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1xss s VAL 24 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1xss s VAL 24 CO -0.11 0.10 -0.07 -0.63 0.00 0.00 0.00 175.10 174.39 1xss s ILE 25 N 0.82 0.61 0.24 2.22 1.01 0.36 -0.88 121.20 125.58 1xss s ILE 25 Ca -0.08 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.43 1xss s ILE 25 Cb -0.11 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 1xss s ILE 25 CO -0.02 0.20 -0.20 0.42 0.00 0.00 0.00 174.94 175.35 1xss s THR 26 N 0.27 2.55 0.17 2.92 -4.23 -0.60 0.74 115.64 117.45 1xss s THR 26 Ca -0.04 -2.18 -0.20 0.00 -1.18 0.00 0.00 61.69 58.09 1xss s THR 26 Cb -0.08 -2.29 0.05 0.00 1.34 0.00 0.00 72.50 71.52 1xss s THR 26 CO 0.00 -0.27 0.56 -0.83 -0.54 0.00 0.00 174.62 173.54 1xss s GLY 27 N -3.16 -0.41 -0.08 3.99 0.00 -0.55 -0.69 107.32 106.42 1xss s GLY 27 Ca 0.26 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.01 1xss s GLY 27 CO 0.13 -0.03 0.37 -1.59 0.00 0.00 0.00 173.10 171.99 1xss s LYS 28 N -3.80 0.60 0.00 2.90 -2.85 -0.94 -0.84 119.74 114.81 1xss s LYS 28 Ca 0.04 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 1xss s LYS 28 Cb -0.01 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1xss s LYS 28 CO -0.09 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1xss n GLY 29 N 2.00 1.96 3.25 0.59 0.00 -0.21 -1.32 105.19 111.45 1xss n GLY 29 Ca -0.17 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1xss n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xss s SER 30 N 0.64 -0.12 0.29 1.61 1.04 -0.52 -1.62 113.70 115.02 1xss s SER 30 Ca 0.00 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 1xss s SER 30 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1xss s SER 30 CO 0.00 -0.62 0.57 -0.83 0.98 0.00 0.00 173.24 173.34 1xss s GLY 31 N -2.11 0.55 -0.42 7.32 0.00 0.90 -1.48 107.32 112.08 1xss s GLY 31 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1xss s GLY 31 CO -0.04 -0.54 0.15 1.20 0.00 0.00 0.00 173.10 173.88 1xss s GLN 32 N -3.57 1.73 0.26 2.90 -0.21 0.73 -1.74 119.66 119.77 1xss s GLN 32 Ca 0.21 -2.19 -0.01 0.00 0.02 0.00 0.00 55.36 53.38 1xss s GLN 32 Cb -0.02 -3.29 0.56 0.00 1.00 0.00 0.00 33.01 31.26 1xss s GLN 32 CO 0.11 -1.02 1.71 -1.35 -2.12 0.00 0.00 175.29 172.62 1xss h PRO 33 N 7.17 0.40 0.00 2.91 0.11 -1.78 0.08 132.00 140.89 1xss h PRO 33 Ca -0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1xss h PRO 33 Cb 0.97 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1xss h PRO 33 CO 0.60 0.27 -0.03 0.74 -0.21 0.00 0.00 178.00 179.37 1xss h PHE 34 N 0.41 0.00 0.00 0.65 0.05 -1.84 -3.08 116.94 113.14 1xss h PHE 34 Ca 0.47 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.26 1xss h PHE 34 Cb 0.79 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.74 1xss h PHE 34 CO -0.17 0.03 -1.11 0.39 -0.18 0.00 0.00 178.31 177.26 1xss n GLU 35 N -3.11 0.13 -2.00 1.51 -0.58 -0.70 -4.44 120.64 111.44 1xss n GLU 35 Ca 0.02 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1xss n GLU 35 Cb 0.43 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1xss n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xss n GLY 36 N 1.45 0.20 3.26 0.62 0.00 -0.07 -4.44 105.19 106.21 1xss n GLY 36 Ca 0.03 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1xss n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xss s ILE 37 N -2.46 1.61 0.10 -0.61 -4.36 -1.16 -0.62 121.20 113.71 1xss s ILE 37 Ca 0.00 -1.39 -0.21 0.00 -0.26 0.00 0.00 60.65 58.79 1xss s ILE 37 Cb 0.00 -1.45 0.05 0.00 1.25 0.00 0.00 42.46 42.31 1xss s ILE 37 CO 0.00 0.00 0.51 0.00 0.24 0.00 0.00 174.94 175.70 1xss s GLN 38 N -1.64 1.11 -0.01 0.37 -2.07 -0.84 -0.19 119.66 116.41 1xss s GLN 38 Ca 0.06 -0.42 -0.08 0.00 -1.82 0.00 0.00 55.36 53.10 1xss s GLN 38 Cb -0.10 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1xss s GLN 38 CO 0.03 -0.44 0.16 0.54 -1.32 0.00 0.00 175.29 174.26 1xss s ASN 39 N -2.40 -0.01 0.17 12.60 6.03 -0.55 -1.95 114.94 128.83 1xss s ASN 39 Ca -0.01 -0.13 -0.18 0.00 -1.03 0.00 0.00 52.86 51.51 1xss s ASN 39 Cb -0.00 0.23 0.03 0.00 -3.03 0.00 0.00 41.25 38.48 1xss s ASN 39 CO -0.08 -0.34 0.50 0.00 -2.03 0.00 0.00 177.10 175.15 1xss s MET 40 N -1.23 1.28 -0.09 3.55 0.23 -0.67 -1.44 119.30 120.92 1xss s MET 40 Ca -0.13 -0.78 0.04 0.00 -1.03 0.00 0.00 55.69 53.79 1xss s MET 40 Cb -0.07 0.51 -0.00 0.00 -1.53 0.00 0.00 34.83 33.74 1xss s MET 40 CO 0.02 -0.53 -0.23 -0.51 -2.03 0.00 0.00 175.02 171.73 1xss s ASP 41 N -2.84 3.17 0.07 -1.18 1.11 -0.44 -0.75 116.67 115.81 1xss s ASP 41 Ca 0.07 -0.53 0.05 0.00 0.18 0.00 0.00 52.55 52.32 1xss s ASP 41 Cb -0.00 -1.31 -0.04 0.00 1.07 0.00 0.00 42.92 42.64 1xss s ASP 41 CO -0.07 0.18 -0.07 -0.76 1.18 0.00 0.00 175.17 175.64 1xss s LEU 42 N 0.23 3.18 -0.05 1.23 1.43 0.20 -2.21 118.68 122.70 1xss s LEU 42 Ca -0.15 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1xss s LEU 42 Cb -0.17 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xss s LEU 42 CO 0.08 0.21 -0.01 -0.89 0.23 0.00 0.00 176.35 175.96 1xss s THR 43 N -1.17 0.36 -0.34 5.49 2.01 0.14 -1.55 115.64 120.57 1xss s THR 43 Ca 0.21 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.99 1xss s THR 43 Cb -0.11 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1xss s THR 43 CO 0.13 0.22 0.98 -0.69 -0.69 0.00 0.00 174.62 174.57 1xss s VAL 44 N 1.41 4.57 -0.42 3.82 1.01 0.26 -1.55 120.40 129.49 1xss s VAL 44 Ca -0.04 1.47 0.20 0.00 0.00 0.00 0.00 61.98 63.61 1xss s VAL 44 Cb -0.13 -4.35 -0.27 0.00 0.00 0.00 0.00 36.38 31.62 1xss s VAL 44 CO -0.03 -0.47 0.62 2.30 0.00 0.00 0.00 175.10 177.52 1xss n ILE 45 N 5.87 0.00 -3.76 2.22 -5.35 -0.06 -4.86 119.36 113.42 1xss n ILE 45 Ca 0.09 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 1xss n ILE 45 Cb 0.48 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.72 1xss n ILE 45 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1xss s GLU 46 N -3.18 0.43 0.00 6.28 2.02 -1.07 -4.91 118.70 118.27 1xss s GLU 46 Ca -0.01 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1xss s GLU 46 Cb 0.14 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1xss s GLU 46 CO 0.83 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xss n GLY 47 N 2.59 0.93 3.81 -1.39 0.00 -1.26 -1.32 105.19 108.55 1xss n GLY 47 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1xss n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xss s GLY 48 N -1.63 2.44 0.08 -0.02 0.00 -1.26 -3.72 107.32 103.21 1xss s GLY 48 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.91 1xss s GLY 48 CO 0.00 0.79 0.98 2.56 0.00 0.00 0.00 173.10 177.43 1xss s PRO 49 N -3.21 4.64 0.22 2.90 0.04 -1.26 -5.10 135.00 133.23 1xss s PRO 49 Ca 0.64 1.46 -0.32 0.00 0.04 0.00 0.00 61.00 62.82 1xss s PRO 49 Cb -0.12 -3.40 -0.13 0.00 0.04 0.00 0.00 34.50 30.89 1xss s PRO 49 CO 0.16 0.11 1.61 1.28 0.04 0.00 0.00 177.00 180.21 1xss n LEU 50 N 3.15 3.72 -0.21 -3.56 4.77 -1.24 -4.89 117.00 118.75 1xss n LEU 50 Ca 0.04 1.10 0.15 0.00 -0.03 0.00 0.00 56.01 57.26 1xss n LEU 50 Cb 0.50 -1.52 0.70 0.00 -2.33 0.00 0.00 43.42 40.77 1xss n LEU 50 CO 0.52 -0.04 0.95 -0.81 -1.33 0.00 0.00 177.39 176.68 1xss n PRO 51 N 3.13 1.15 -4.44 3.23 -0.04 -1.26 -4.88 135.00 131.89 1xss n PRO 51 Ca 0.14 -0.41 -0.23 0.00 -0.04 0.00 0.00 63.50 62.96 1xss n PRO 51 Cb 0.33 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1xss n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xss s PHE 52 N -2.13 2.15 0.06 0.54 -0.12 -1.26 -4.62 117.98 112.60 1xss s PHE 52 Ca 0.39 -0.40 -0.32 0.00 -0.05 0.00 0.00 56.93 56.56 1xss s PHE 52 Cb 0.21 -0.96 -0.11 0.00 -0.63 0.00 0.00 43.02 41.54 1xss s PHE 52 CO 0.39 0.62 1.86 0.00 -0.05 0.00 0.00 175.22 178.04 1xss n ALA 53 N -0.57 1.71 0.22 1.99 0.00 0.14 -4.86 120.51 119.15 1xss n ALA 53 Ca -0.06 0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1xss n ALA 53 Cb 0.60 -2.58 0.69 0.00 0.00 0.00 0.00 19.45 18.16 1xss n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xss h PHE 54 N 8.97 0.00 -0.80 0.00 3.57 -1.95 -2.54 116.94 124.19 1xss h PHE 54 Ca -0.48 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.24 1xss h PHE 54 Cb 1.24 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1xss h PHE 54 CO 0.84 0.00 0.56 -0.44 -2.23 0.00 0.00 178.31 177.04 1xss h ASP 55 N 0.00 0.13 0.41 0.41 3.32 -1.96 0.06 116.42 118.78 1xss h ASP 55 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xss h ASP 55 Cb 0.18 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1xss h ASP 55 CO -0.00 0.06 0.00 0.16 -1.72 0.00 0.00 179.24 177.74 1xss h ILE 56 N 0.13 0.00 0.00 0.35 3.07 -1.84 -2.93 117.51 116.29 1xss h ILE 56 Ca 0.39 -0.15 -0.15 0.00 1.55 0.00 0.00 64.86 66.50 1xss h ILE 56 Cb 1.35 0.87 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 1xss h ILE 56 CO -0.06 0.00 -1.96 0.18 -1.05 0.00 0.00 178.15 175.26 1xss n LEU 57 N -2.48 0.21 -0.33 0.16 4.77 0.00 -4.65 117.00 114.68 1xss n LEU 57 Ca -0.00 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1xss n LEU 57 Cb 0.15 0.18 0.31 0.00 -2.33 0.00 0.00 43.42 41.73 1xss n LEU 57 CO 0.17 0.18 1.22 0.71 -1.33 0.00 0.00 177.39 178.34 1xss h THR 58 N 0.00 0.83 0.00 -5.08 1.35 -1.51 -0.37 112.91 108.14 1xss h THR 58 Ca -0.21 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1xss h THR 58 Cb 1.52 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1xss h THR 58 CO 0.02 0.15 0.00 0.35 -0.25 0.00 0.00 175.52 175.79 1xss n THR 59 N -4.63 0.14 -0.02 6.82 -2.24 -1.26 -2.35 114.28 110.73 1xss n THR 59 Ca 0.19 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1xss n THR 59 Cb 0.46 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.90 1xss n THR 59 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xss n VAL 60 N -1.16 1.64 -1.28 2.28 0.31 -0.16 -4.85 118.33 115.12 1xss n VAL 60 Ca 0.15 -0.76 -0.37 0.00 -0.01 0.00 0.00 64.34 63.34 1xss n VAL 60 Cb 0.14 -1.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 1xss n VAL 60 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xss n PHE 61 N -3.14 2.41 0.00 3.52 0.99 -0.99 -5.02 117.46 115.23 1xss n PHE 61 Ca -0.21 -2.56 0.00 0.00 -0.00 0.00 0.00 57.45 54.68 1xss n PHE 61 Cb 1.05 -2.18 0.00 0.00 -1.00 0.00 0.00 39.48 37.35 1xss n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1xss n ASN 65 N 5.22 0.00 0.00 4.37 2.85 -1.26 -5.13 115.26 121.31 1xss n ASN 65 Ca 0.58 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 55.08 1xss n ASN 65 Cb 0.29 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.52 1xss n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1xss n ARG 66 N 0.00 0.48 0.15 1.20 3.00 -1.26 -1.94 116.66 118.29 1xss n ARG 66 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1xss n ARG 66 Cb 0.00 -1.24 0.23 0.00 0.00 0.00 0.00 32.46 31.45 1xss n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xss h VAL 67 N 0.00 1.28 -0.97 5.15 2.07 -1.95 -3.31 116.25 118.51 1xss h VAL 67 Ca 0.00 -1.90 -0.74 0.00 0.82 0.00 0.00 66.70 64.88 1xss h VAL 67 Cb 0.00 2.06 -0.12 0.00 -1.52 0.00 0.00 31.29 31.71 1xss h VAL 67 CO 0.00 0.53 2.35 0.49 0.02 0.00 0.00 177.57 180.96 1xss n PHE 68 N -3.75 3.28 -3.73 1.57 3.01 -0.82 -4.68 117.46 112.34 1xss n PHE 68 Ca -0.01 -2.88 -0.12 0.00 1.01 0.00 0.00 57.45 55.45 1xss n PHE 68 Cb 0.57 -2.17 -0.12 0.00 -0.01 0.00 0.00 39.48 37.75 1xss n PHE 68 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1xss s VAL 69 N 1.44 -0.03 -0.54 -4.37 1.01 -1.23 -4.41 120.40 112.27 1xss s VAL 69 Ca 0.42 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1xss s VAL 69 Cb 0.10 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 36.08 1xss s VAL 69 CO -0.02 0.04 1.17 -0.75 0.00 0.00 0.00 175.10 175.54 1xss s LYS 70 N 1.02 3.60 -0.19 2.72 2.20 -0.64 -4.47 119.74 123.97 1xss s LYS 70 Ca -0.07 0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.80 1xss s LYS 70 Cb -0.08 -3.97 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 1xss s LYS 70 CO -0.07 -1.56 0.21 0.71 -0.36 0.00 0.00 175.35 174.28 1xss s TYR 71 N 4.77 3.41 0.67 4.03 1.51 -1.26 -1.17 117.35 129.30 1xss s TYR 71 Ca 0.45 0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 56.78 1xss s TYR 71 Cb -0.07 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1xss s TYR 71 CO 0.28 0.21 1.14 -1.25 -1.11 0.00 0.00 175.55 174.82 1xss s PRO 72 N 0.60 2.65 0.50 -1.71 0.04 -1.26 -4.90 135.00 130.92 1xss s PRO 72 Ca 0.12 1.51 0.19 0.00 0.04 0.00 0.00 61.00 62.85 1xss s PRO 72 Cb -0.12 -1.92 1.25 0.00 0.04 0.00 0.00 34.50 33.75 1xss s PRO 72 CO 0.02 -1.39 2.06 1.05 0.04 0.00 0.00 177.00 178.77 1xss h GLU 73 N 0.01 0.10 0.00 4.56 9.09 -2.00 -2.44 114.58 123.90 1xss h GLU 73 Ca -0.47 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 58.89 1xss h GLU 73 Cb 1.26 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 1xss h GLU 73 CO 0.53 0.07 -0.18 0.93 0.05 0.00 0.00 179.01 180.41 1xss h GLU 74 N 0.10 0.00 -5.40 1.06 3.07 -2.04 -3.44 114.58 107.94 1xss h GLU 74 Ca 0.15 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.40 1xss h GLU 74 Cb 0.48 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.29 1xss h GLU 74 CO -0.02 0.18 -0.47 0.42 -1.40 0.00 0.00 179.01 177.72 1xss s ILE 75 N -3.61 5.42 0.17 3.13 1.01 -0.92 -5.06 121.20 121.35 1xss s ILE 75 Ca 0.01 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 1xss s ILE 75 Cb 0.10 -3.47 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 1xss s ILE 75 CO 0.62 0.49 1.51 -0.69 0.00 0.00 0.00 174.94 176.88 1xss s VAL 76 N -0.04 2.75 -0.69 2.92 1.01 -1.26 -4.72 120.40 120.36 1xss s VAL 76 Ca 0.11 0.55 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 1xss s VAL 76 Cb -0.12 -3.35 0.18 0.00 0.00 0.00 0.00 36.38 33.09 1xss s VAL 76 CO 0.00 0.05 0.64 -0.62 0.00 0.00 0.00 175.10 175.17 1xss s ASP 77 N 1.01 6.45 0.34 3.32 -1.08 -1.26 -4.66 116.67 120.79 1xss s ASP 77 Ca 0.67 -2.32 0.04 0.00 -0.52 0.00 0.00 52.55 50.43 1xss s ASP 77 Cb -0.42 -2.19 0.68 0.00 -1.46 0.00 0.00 42.92 39.53 1xss s ASP 77 CO 0.33 -0.68 1.94 0.22 0.52 0.00 0.00 175.17 177.50 1xss h TYR 78 N 8.21 0.85 0.02 -5.34 3.20 -1.93 -3.01 116.97 118.97 1xss h TYR 78 Ca -0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1xss h TYR 78 Cb 1.06 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 39.06 1xss h TYR 78 CO 0.89 0.45 -0.24 0.74 -1.64 0.00 0.00 178.16 178.36 1xss h PHE 79 N 0.83 0.19 0.00 -3.82 -1.00 -1.91 -3.18 116.94 108.06 1xss h PHE 79 Ca 0.34 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1xss h PHE 79 Cb 0.25 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 1xss h PHE 79 CO -0.00 1.00 -0.05 0.87 -1.61 0.00 0.00 178.31 178.52 1xss h LYS 80 N -0.67 0.00 -0.03 1.51 1.57 -1.90 -2.37 116.57 114.68 1xss h LYS 80 Ca -0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1xss h LYS 80 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1xss h LYS 80 CO 0.05 0.05 -0.75 1.96 -0.57 0.00 0.00 179.45 180.18 1xss h GLN 81 N 0.00 0.22 0.00 3.15 4.20 -1.61 -3.33 115.11 117.74 1xss h GLN 81 Ca -0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1xss h GLN 81 Cb 0.38 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xss h GLN 81 CO 0.01 0.88 -0.04 0.66 -0.67 0.00 0.00 178.83 179.66 1xss h SER 82 N 0.14 0.00 -3.58 1.46 4.64 -1.40 -3.45 113.55 111.36 1xss h SER 82 Ca -0.03 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.82 1xss h SER 82 Cb 1.33 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.47 1xss h SER 82 CO 0.12 0.04 0.15 -0.36 -0.87 0.00 0.00 176.83 175.91 1xss s PHE 83 N -4.07 3.25 0.29 4.77 0.40 -1.25 -0.06 117.98 121.31 1xss s PHE 83 Ca -0.03 0.61 0.31 0.00 -0.60 0.00 0.00 56.93 57.23 1xss s PHE 83 Cb 0.12 -2.70 1.46 0.00 0.51 0.00 0.00 43.02 42.41 1xss s PHE 83 CO 0.51 -0.78 2.04 -1.00 0.70 0.00 0.00 175.22 176.69 1xss h PRO 84 N -0.13 0.00 -0.47 0.24 0.13 -1.92 -3.41 132.00 126.43 1xss h PRO 84 Ca -0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1xss h PRO 84 Cb 1.26 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 1xss h PRO 84 CO 0.60 0.08 -0.08 0.93 -0.23 0.00 0.00 178.00 179.31 1xss h GLU 85 N 0.00 0.04 0.00 0.86 3.07 -1.94 -3.28 114.58 113.33 1xss h GLU 85 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xss h GLU 85 Cb 0.43 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xss h GLU 85 CO 0.01 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 1xss n GLY 86 N -1.33 -1.88 3.83 -3.84 0.00 0.91 -4.64 105.19 98.24 1xss n GLY 86 Ca 0.04 -1.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1xss n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xss s TYR 87 N 0.00 -0.11 0.14 1.61 1.13 -1.10 -1.00 117.35 118.02 1xss s TYR 87 Ca 0.00 -0.35 0.03 0.00 -1.41 0.00 0.00 57.07 55.34 1xss s TYR 87 Cb 0.00 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.49 1xss s TYR 87 CO 0.00 -1.24 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.18 1xss s SER 88 N -2.94 1.50 0.03 -0.18 1.04 -0.63 -1.25 113.70 111.28 1xss s SER 88 Ca 0.12 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1xss s SER 88 Cb -0.05 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1xss s SER 88 CO 0.08 -0.41 0.01 -1.66 0.98 0.00 0.00 173.24 172.23 1xss s TRP 89 N -3.47 0.31 0.03 5.02 1.48 -0.23 -0.27 118.94 121.81 1xss s TRP 89 Ca 0.16 -0.66 0.06 0.00 -1.06 0.00 0.00 56.10 54.60 1xss s TRP 89 Cb 0.04 -0.23 -0.02 0.00 -1.16 0.00 0.00 33.47 32.10 1xss s TRP 89 CO -0.01 -0.29 -0.18 -1.21 -4.06 0.00 0.00 176.95 171.20 1xss s GLU 90 N -2.44 1.27 -0.11 3.25 2.02 -0.38 -1.55 118.70 120.77 1xss s GLU 90 Ca -0.07 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 53.96 1xss s GLU 90 Cb -0.03 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.91 1xss s GLU 90 CO -0.04 0.34 0.33 0.50 0.02 0.00 0.00 175.26 176.41 1xss s ARG 91 N -1.04 0.45 -0.10 1.61 3.52 0.06 -0.64 118.95 122.81 1xss s ARG 91 Ca 0.06 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 1xss s ARG 91 Cb -0.08 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1xss s ARG 91 CO 0.01 -0.07 -0.14 -1.54 -0.81 0.00 0.00 175.30 172.75 1xss s SER 92 N -0.11 4.02 -0.33 -2.12 1.04 -0.44 -1.36 113.70 114.40 1xss s SER 92 Ca -0.03 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1xss s SER 92 Cb -0.03 -1.31 0.10 0.00 0.10 0.00 0.00 66.02 64.88 1xss s SER 92 CO 0.01 0.24 0.06 -0.04 0.98 0.00 0.00 173.24 174.49 1xss s MET 93 N -0.08 1.23 -0.38 4.02 1.00 0.11 -1.38 119.30 123.81 1xss s MET 93 Ca -0.02 -1.57 -0.16 0.00 0.00 0.00 0.00 55.69 53.94 1xss s MET 93 Cb -0.14 -2.77 0.01 0.00 0.00 0.00 0.00 34.83 31.93 1xss s MET 93 CO 0.04 -0.94 0.36 0.45 0.00 0.00 0.00 175.02 174.93 1xss s SER 94 N 1.16 6.16 0.33 3.03 0.15 -0.43 -1.31 113.70 122.80 1xss s SER 94 Ca 0.10 -0.53 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 1xss s SER 94 Cb -0.18 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 1xss s SER 94 CO -0.14 -0.43 0.74 -0.31 1.20 0.00 0.00 173.24 174.30 1xss s TYR 95 N 1.97 3.38 -0.33 3.44 1.51 0.07 -0.84 117.35 126.55 1xss s TYR 95 Ca 0.10 1.21 0.21 0.00 -1.01 0.00 0.00 57.07 57.58 1xss s TYR 95 Cb -0.17 -2.53 1.06 0.00 -0.11 0.00 0.00 41.96 40.20 1xss s TYR 95 CO 0.12 0.07 1.64 -0.85 -1.11 0.00 0.00 175.55 175.43 1xss n GLU 96 N -0.44 0.15 -0.59 -0.62 0.28 -0.42 -1.90 120.64 117.10 1xss n GLU 96 Ca 0.04 0.56 0.10 0.00 -0.16 0.00 0.00 57.16 57.69 1xss n GLU 96 Cb 0.53 -1.91 0.35 0.00 1.43 0.00 0.00 31.44 31.85 1xss n GLU 96 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1xss n ASP 97 N -2.21 4.67 0.00 -1.84 5.75 -1.26 -4.92 116.55 116.74 1xss n ASP 97 Ca -0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1xss n ASP 97 Cb 0.09 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 1xss n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xss n GLY 98 N 1.12 3.04 3.75 6.12 0.00 -0.80 -4.81 105.19 113.62 1xss n GLY 98 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1xss n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xss s GLY 99 N -2.80 2.86 -0.15 -0.02 0.00 -1.21 -4.77 107.32 101.22 1xss s GLY 99 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 44.72 45.78 1xss s GLY 99 CO 0.00 1.73 0.47 -1.50 0.00 0.00 0.00 173.10 173.80 1xss s ILE 100 N -1.37 0.01 0.04 0.90 2.07 -0.72 -0.75 121.20 121.38 1xss s ILE 100 Ca 0.70 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.93 1xss s ILE 100 Cb -0.37 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 1xss s ILE 100 CO 0.44 -0.03 -0.13 0.00 -1.91 0.00 0.00 174.94 173.31 1xss s LEU 102 N -1.15 2.15 0.03 0.00 1.43 0.97 0.05 118.68 122.16 1xss s LEU 102 Ca 0.00 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1xss s LEU 102 Cb -0.08 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1xss s LEU 102 CO 0.01 0.18 0.23 0.00 0.23 0.00 0.00 176.35 177.00 1xss s ALA 103 N -0.75 -0.48 0.04 4.21 0.00 -0.47 -1.17 121.76 123.14 1xss s ALA 103 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1xss s ALA 103 Cb -0.09 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1xss s ALA 103 CO 0.01 -0.34 -0.08 0.95 0.00 0.00 0.00 175.76 176.30 1xss s THR 104 N -2.26 0.57 -0.08 0.00 -4.23 -0.71 -0.76 115.64 108.18 1xss s THR 104 Ca -0.07 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1xss s THR 104 Cb -0.02 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 73.26 1xss s THR 104 CO -0.02 -0.28 0.15 0.21 -0.54 0.00 0.00 174.62 174.15 1xss s ASN 105 N -1.33 0.59 -0.28 3.99 3.04 -0.59 -1.98 114.94 118.38 1xss s ASN 105 Ca -0.07 0.32 -0.08 0.00 0.04 0.00 0.00 52.86 53.07 1xss s ASN 105 Cb -0.09 0.25 -0.01 0.00 -1.54 0.00 0.00 41.25 39.86 1xss s ASN 105 CO 0.00 -0.23 0.10 0.21 -3.04 0.00 0.00 177.10 174.15 1xss s ASN 106 N 2.07 5.29 -0.18 -4.21 2.47 -0.37 -1.07 114.94 118.95 1xss s ASN 106 Ca 0.01 -0.46 -0.04 0.00 0.42 0.00 0.00 52.86 52.79 1xss s ASN 106 Cb -0.12 -1.94 -0.02 0.00 -1.45 0.00 0.00 41.25 37.71 1xss s ASN 106 CO -0.06 -0.14 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.52 1xss s ILE 107 N 1.58 3.79 0.34 -5.21 1.01 -0.38 -1.40 121.20 120.94 1xss s ILE 107 Ca 0.05 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1xss s ILE 107 Cb -0.16 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1xss s ILE 107 CO 0.04 0.47 0.09 0.42 0.00 0.00 0.00 174.94 175.95 1xss s THR 108 N 0.70 0.90 -0.04 2.92 -4.23 -0.77 -2.70 115.64 112.43 1xss s THR 108 Ca -0.02 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1xss s THR 108 Cb -0.14 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1xss s THR 108 CO 0.02 0.00 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.90 1xss s MET 109 N -3.87 2.41 0.54 3.99 -1.94 -1.24 -0.89 119.30 118.30 1xss s MET 109 Ca 0.33 -0.75 -0.19 0.00 -1.71 0.00 0.00 55.69 53.37 1xss s MET 109 Cb 0.07 -2.31 -0.09 0.00 2.01 0.00 0.00 34.83 34.51 1xss s MET 109 CO 0.15 0.61 0.63 1.17 -0.01 0.00 0.00 175.02 177.56 1xss n LYS 110 N 2.28 0.64 -2.73 2.03 3.00 0.16 -4.90 118.16 118.64 1xss n LYS 110 Ca -0.17 0.25 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 1xss n LYS 110 Cb 0.52 -1.76 0.02 0.00 0.00 0.00 0.00 35.03 33.80 1xss n LYS 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1xss n LYS 111 N -0.07 5.17 0.00 1.64 5.02 -1.26 -4.29 118.16 124.37 1xss n LYS 111 Ca 0.12 -4.65 0.00 0.00 -2.02 0.00 0.00 58.31 51.75 1xss n LYS 111 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1xss n LYS 111 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xss n ASP 112 N 0.23 0.00 -1.03 4.39 3.85 -1.26 -5.01 116.55 117.72 1xss n ASP 112 Ca 0.42 -0.61 -0.09 0.00 -0.71 0.00 0.00 54.79 53.79 1xss n ASP 112 Cb 0.28 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 1xss n ASP 112 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xss n GLY 113 N 0.00 0.15 0.91 6.12 0.00 -1.26 -4.90 105.19 106.20 1xss n GLY 113 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1xss n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xss n SER 114 N 0.23 2.64 -3.90 1.61 3.41 -1.26 -4.94 113.62 111.40 1xss n SER 114 Ca -0.11 -2.02 -0.28 0.00 -0.26 0.00 0.00 58.87 56.20 1xss n SER 114 Cb 0.54 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 1xss n SER 114 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xss n ASN 115 N 0.91 -1.59 -3.99 4.04 3.02 -1.26 -4.71 115.26 111.68 1xss n ASN 115 Ca 0.16 -1.03 -0.23 0.00 -0.03 0.00 0.00 54.58 53.45 1xss n ASN 115 Cb 0.42 -3.03 -0.16 0.00 -0.61 0.00 0.00 39.78 36.39 1xss n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xss s PHE 117 N 0.72 3.43 -0.09 0.00 0.08 0.10 0.36 117.98 122.59 1xss s PHE 117 Ca -0.14 0.94 0.01 0.00 0.12 0.00 0.00 56.93 57.86 1xss s PHE 117 Cb -0.15 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 39.99 1xss s PHE 117 CO 0.03 0.15 -0.09 0.08 -0.10 0.00 0.00 175.22 175.28 1xss s VAL 118 N -2.00 1.04 -0.15 -0.44 1.01 -0.07 -0.97 120.40 118.82 1xss s VAL 118 Ca 0.49 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1xss s VAL 118 Cb -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1xss s VAL 118 CO 0.24 0.35 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 1xss s TYR 119 N 1.21 3.08 -0.31 5.22 4.12 0.18 -1.84 117.35 129.01 1xss s TYR 119 Ca -0.05 -0.15 -0.04 0.00 0.02 0.00 0.00 57.07 56.85 1xss s TYR 119 Cb -0.14 -1.95 0.04 0.00 -1.52 0.00 0.00 41.96 38.39 1xss s TYR 119 CO -0.03 0.08 0.04 -2.00 0.02 0.00 0.00 175.55 173.67 1xss s GLU 120 N 0.15 2.58 -0.04 -0.62 2.12 -0.49 -2.38 118.70 120.02 1xss s GLU 120 Ca 0.00 -1.18 0.06 0.00 0.36 0.00 0.00 54.97 54.21 1xss s GLU 120 Cb -0.13 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1xss s GLU 120 CO 0.02 -0.61 -0.22 0.42 -0.54 0.00 0.00 175.26 174.33 1xss s ILE 121 N 1.34 2.38 -0.05 -3.70 1.01 -0.47 -1.23 121.20 120.46 1xss s ILE 121 Ca -0.03 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1xss s ILE 121 Cb -0.19 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 1xss s ILE 121 CO 0.01 0.58 -0.19 -0.60 0.00 0.00 0.00 174.94 174.74 1xss s ARG 122 N -0.58 2.03 -0.04 2.79 6.06 -0.84 -1.64 118.95 126.74 1xss s ARG 122 Ca 0.08 -0.67 0.01 0.00 -2.50 0.00 0.00 55.73 52.65 1xss s ARG 122 Cb -0.11 -1.72 0.02 0.00 0.06 0.00 0.00 34.95 33.21 1xss s ARG 122 CO 0.00 0.24 -0.03 0.12 -2.50 0.00 0.00 175.30 173.13 1xss s PHE 123 N 0.09 0.66 -0.02 5.12 2.19 -0.64 -1.73 117.98 123.65 1xss s PHE 123 Ca -0.06 -0.17 -0.00 0.00 0.33 0.00 0.00 56.93 57.03 1xss s PHE 123 Cb -0.13 -0.63 0.03 0.00 -1.31 0.00 0.00 43.02 40.98 1xss s PHE 123 CO 0.03 -0.19 0.04 -0.51 1.83 0.00 0.00 175.22 176.42 1xss s ASP 124 N 1.02 0.04 0.02 6.13 1.01 -0.32 -1.08 116.67 123.50 1xss s ASP 124 Ca -0.10 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.24 1xss s ASP 124 Cb -0.14 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.74 1xss s ASP 124 CO -0.01 -0.11 -0.06 -0.83 0.21 0.00 0.00 175.17 174.37 1xss s GLY 125 N 0.92 0.35 0.22 0.21 0.00 -0.14 -0.02 107.32 108.86 1xss s GLY 125 Ca -0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 1xss s GLY 125 CO -0.03 -0.47 0.28 -1.34 0.00 0.00 0.00 173.10 171.54 1xss s VAL 126 N -0.72 0.00 -1.67 1.40 -7.23 -0.15 -0.65 120.40 111.38 1xss s VAL 126 Ca -0.04 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1xss s VAL 126 Cb -0.06 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1xss s VAL 126 CO 0.00 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.38 1xss n ASN 127 N -0.36 -5.09 -4.67 4.85 5.03 -1.26 -1.75 115.26 112.01 1xss n ASN 127 Ca 0.01 0.21 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 1xss n ASN 127 Cb 0.64 -4.15 -0.03 0.00 -1.02 0.00 0.00 39.78 35.22 1xss n ASN 127 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1xss s PHE 128 N -2.75 3.41 0.38 3.10 0.08 -1.26 -3.35 117.98 117.58 1xss s PHE 128 Ca 0.00 1.37 -0.28 0.00 0.12 0.00 0.00 56.93 58.14 1xss s PHE 128 Cb 0.00 -3.12 -0.11 0.00 -0.57 0.00 0.00 43.02 39.22 1xss s PHE 128 CO 0.00 -0.31 1.49 -2.14 -0.10 0.00 0.00 175.22 174.16 1xss s PRO 129 N 2.42 4.11 0.40 0.24 0.02 -1.26 -4.89 135.00 136.03 1xss s PRO 129 Ca 0.42 2.58 0.10 0.00 0.02 0.00 0.00 61.00 64.12 1xss s PRO 129 Cb -0.16 -2.97 0.90 0.00 0.02 0.00 0.00 34.50 32.29 1xss s PRO 129 CO 0.12 -0.54 1.95 0.00 -0.33 0.00 0.00 177.00 178.20 1xss h ALA 130 N 3.03 1.89 -0.57 -1.55 0.00 -1.98 -0.46 119.26 119.62 1xss h ALA 130 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xss h ALA 130 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xss h ALA 130 CO 0.64 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.13 1xss n ASN 131 N -4.49 3.85 -4.90 0.00 0.23 -1.26 -4.39 115.26 104.30 1xss n ASN 131 Ca 0.11 -2.27 -0.29 0.00 -0.53 0.00 0.00 54.58 51.61 1xss n ASN 131 Cb 0.34 -0.49 0.06 0.00 -2.08 0.00 0.00 39.78 37.61 1xss n ASN 131 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xss s GLY 132 N -0.88 1.62 0.60 4.83 0.00 -0.18 -4.87 107.32 108.44 1xss s GLY 132 Ca 0.42 -0.57 0.36 0.00 0.00 0.00 0.00 44.72 44.94 1xss s GLY 132 CO 0.23 -0.18 2.23 -0.56 0.00 0.00 0.00 173.10 174.82 1xss h PRO 133 N -0.66 0.00 0.02 2.90 0.13 -1.93 -1.25 132.00 131.21 1xss h PRO 133 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xss h PRO 133 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xss h PRO 133 CO 0.63 0.03 -0.01 0.28 -0.23 0.00 0.00 178.00 178.70 1xss h VAL 134 N 0.00 1.36 0.00 1.56 2.07 -1.93 0.53 116.25 119.84 1xss h VAL 134 Ca -0.00 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 65.60 1xss h VAL 134 Cb 0.14 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1xss h VAL 134 CO 0.00 0.44 -0.17 0.24 0.02 0.00 0.00 177.57 178.10 1xss h MET 135 N -0.94 0.00 -0.02 1.57 2.86 -1.76 0.54 114.93 117.18 1xss h MET 135 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xss h MET 135 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1xss h MET 135 CO 0.00 0.17 -0.12 1.04 1.06 0.00 0.00 176.91 179.07 1xss n GLN 136 N -3.30 1.66 -3.69 1.72 1.13 -0.48 -4.68 117.38 109.74 1xss n GLN 136 Ca 0.01 -1.20 -0.27 0.00 -1.94 0.00 0.00 57.00 53.60 1xss n GLN 136 Cb 0.42 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.33 1xss n GLN 136 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xss n ARG 137 N 0.38 -2.26 -0.54 -1.09 1.74 -0.74 -4.91 116.66 109.24 1xss n ARG 137 Ca 0.15 0.51 0.08 0.00 -0.77 0.00 0.00 57.85 57.82 1xss n ARG 137 Cb 0.45 -4.51 0.29 0.00 -1.02 0.00 0.00 32.46 27.67 1xss n ARG 137 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xss n LYS 138 N -4.15 3.43 -3.41 5.56 4.76 0.10 -4.98 118.16 119.47 1xss n LYS 138 Ca -0.16 -2.86 -0.33 0.00 -2.87 0.00 0.00 58.31 52.09 1xss n LYS 138 Cb 0.62 -1.90 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 1xss n LYS 138 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1xss s THR 139 N -2.61 4.92 -0.24 -0.18 -4.23 -1.26 -0.53 115.64 111.51 1xss s THR 139 Ca 0.44 0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 61.43 1xss s THR 139 Cb 0.34 -3.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.41 1xss s THR 139 CO 0.12 0.06 -0.30 0.52 -0.54 0.00 0.00 174.62 174.48 1xss n VAL 140 N 0.25 1.34 -3.70 2.29 0.31 0.11 -4.76 118.33 114.17 1xss n VAL 140 Ca -0.02 -0.36 0.01 0.00 -0.01 0.00 0.00 64.34 63.96 1xss n VAL 140 Cb 0.52 -1.76 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1xss n VAL 140 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1xss s LYS 141 N -2.45 0.47 0.08 5.55 -2.85 -1.22 -4.99 119.74 114.33 1xss s LYS 141 Ca -0.34 -0.27 -0.12 0.00 -1.00 0.00 0.00 55.97 54.23 1xss s LYS 141 Cb 0.12 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 1xss s LYS 141 CO 0.44 -0.22 0.44 -1.58 0.10 0.00 0.00 175.35 174.54 1xss s TRP 142 N -2.39 3.63 0.66 1.78 0.52 -1.26 -0.78 118.94 121.11 1xss s TRP 142 Ca 0.17 0.92 -0.10 0.00 0.02 0.00 0.00 56.10 57.11 1xss s TRP 142 Cb 0.03 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 1xss s TRP 142 CO -0.03 0.53 1.04 -1.21 0.02 0.00 0.00 176.95 177.30 1xss s GLU 143 N -1.69 2.96 1.05 4.98 0.41 -0.30 -4.80 118.70 121.31 1xss s GLU 143 Ca 0.32 0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 55.12 1xss s GLU 143 Cb -0.15 -2.10 0.22 0.00 -1.78 0.00 0.00 34.13 30.32 1xss s GLU 143 CO 0.17 -0.89 1.07 -1.25 -0.49 0.00 0.00 175.26 173.87 1xss s PRO 144 N -5.24 -0.04 0.29 0.39 0.04 -1.26 -4.76 135.00 124.42 1xss s PRO 144 Ca 0.57 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 1xss s PRO 144 Cb -0.11 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1xss s PRO 144 CO 0.50 -3.15 0.53 -1.54 0.04 0.00 0.00 177.00 173.38 1xss s SER 145 N -2.84 0.12 -0.18 6.66 1.04 -0.26 -4.91 113.70 113.33 1xss s SER 145 Ca 0.67 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 1xss s SER 145 Cb -0.22 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1xss s SER 145 CO 0.61 -1.25 0.00 -0.89 0.98 0.00 0.00 173.24 172.69 1xss s THR 146 N -3.62 0.78 -0.02 2.02 2.01 -1.26 -0.20 115.64 115.36 1xss s THR 146 Ca 0.23 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 1xss s THR 146 Cb -0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1xss s THR 146 CO 0.12 -0.07 0.61 -0.70 -0.69 0.00 0.00 174.62 173.88 1xss s GLU 147 N 1.75 4.35 -0.30 4.92 2.12 0.41 -4.57 118.70 127.39 1xss s GLU 147 Ca -0.01 0.76 -0.14 0.00 0.36 0.00 0.00 54.97 55.94 1xss s GLU 147 Cb -0.16 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1xss s GLU 147 CO -0.07 0.31 0.33 0.15 -0.54 0.00 0.00 175.26 175.44 1xss s LYS 148 N 0.00 3.82 -0.21 4.30 3.01 0.19 -1.08 119.74 129.76 1xss s LYS 148 Ca 0.32 -0.21 -0.09 0.00 -1.01 0.00 0.00 55.97 54.98 1xss s LYS 148 Cb -0.18 -3.72 -0.04 0.00 -1.01 0.00 0.00 37.83 32.88 1xss s LYS 148 CO 0.17 -0.36 0.10 -1.64 0.51 0.00 0.00 175.35 174.13 1xss s MET 149 N 1.99 3.96 -0.05 1.68 -1.94 0.17 -1.21 119.30 123.89 1xss s MET 149 Ca 0.12 -0.34 -0.11 0.00 -1.71 0.00 0.00 55.69 53.65 1xss s MET 149 Cb -0.16 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.35 1xss s MET 149 CO 0.11 0.12 0.27 1.52 -0.01 0.00 0.00 175.02 177.03 1xss s TYR 150 N 0.83 -0.19 0.26 -0.03 1.13 -0.44 -1.54 117.35 117.36 1xss s TYR 150 Ca 0.05 0.39 -0.26 0.00 -1.41 0.00 0.00 57.07 55.85 1xss s TYR 150 Cb -0.13 0.07 -0.09 0.00 -1.10 0.00 0.00 41.96 40.71 1xss s TYR 150 CO 0.02 -0.27 0.88 0.08 -2.51 0.00 0.00 175.55 173.75 1xss s VAL 151 N -0.74 4.26 -0.15 -3.49 1.01 -1.26 -0.42 120.40 119.61 1xss s VAL 151 Ca -0.08 1.78 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 1xss s VAL 151 Cb -0.04 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.32 1xss s VAL 151 CO 0.02 0.30 0.26 -0.60 0.00 0.00 0.00 175.10 175.09 1xss s ARG 152 N -1.68 0.17 -1.44 2.72 6.06 -0.19 -4.90 118.95 119.69 1xss s ARG 152 Ca 0.44 0.63 -0.06 0.00 -2.50 0.00 0.00 55.73 54.24 1xss s ARG 152 Cb -0.21 -0.29 0.04 0.00 0.06 0.00 0.00 34.95 34.55 1xss s ARG 152 CO 0.26 -0.38 0.71 -0.25 -2.50 0.00 0.00 175.30 173.14 1xss n ASP 153 N 5.35 -2.18 0.00 -2.12 8.00 -1.26 -2.14 116.55 122.20 1xss n ASP 153 Ca -0.06 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1xss n ASP 153 Cb 0.50 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 1xss n ASP 153 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xss n GLY 154 N -1.70 1.81 3.65 0.44 0.00 -1.26 -5.01 105.19 103.11 1xss n GLY 154 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1xss n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xss s VAL 155 N -3.40 1.21 -0.16 1.61 -7.23 -0.91 -5.01 120.40 106.51 1xss s VAL 155 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1xss s VAL 155 Cb 0.00 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1xss s VAL 155 CO 0.00 0.00 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.57 1xss s LEU 156 N -3.74 3.46 0.02 1.32 2.96 -1.05 -1.03 118.68 120.62 1xss s LEU 156 Ca 0.19 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1xss s LEU 156 Cb 0.04 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1xss s LEU 156 CO 0.10 0.20 0.00 -0.54 -1.32 0.00 0.00 176.35 174.79 1xss s LYS 157 N 0.22 2.74 -0.10 1.98 -0.14 0.44 0.22 119.74 125.10 1xss s LYS 157 Ca -0.00 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 53.93 1xss s LYS 157 Cb -0.13 -2.64 0.03 0.00 -1.68 0.00 0.00 37.83 33.41 1xss s LYS 157 CO 0.02 0.60 0.01 0.20 -0.76 0.00 0.00 175.35 175.42 1xss s GLY 158 N -1.76 0.53 -0.08 -3.33 0.00 -0.10 -1.33 107.32 101.25 1xss s GLY 158 Ca 0.21 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.72 1xss s GLY 158 CO 0.13 1.19 -0.18 0.99 0.00 0.00 0.00 173.10 175.22 1xss s ASP 159 N 1.94 3.67 -0.08 1.64 -0.00 -0.35 -0.78 116.67 122.71 1xss s ASP 159 Ca 0.04 -0.36 -0.06 0.00 -0.00 0.00 0.00 52.55 52.17 1xss s ASP 159 Cb -0.13 -1.14 0.03 0.00 -0.00 0.00 0.00 42.92 41.68 1xss s ASP 159 CO -0.06 0.24 0.21 0.54 -0.00 0.00 0.00 175.17 176.10 1xss s VAL 160 N -0.12 -0.02 -0.45 -1.27 0.11 -0.90 -0.64 120.40 117.11 1xss s VAL 160 Ca -0.03 0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.83 1xss s VAL 160 Cb -0.14 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1xss s VAL 160 CO 0.04 0.03 0.94 0.20 -3.33 0.00 0.00 175.10 172.98 1xss s ASN 161 N 0.59 6.52 0.24 3.54 0.02 -1.26 -1.34 114.94 123.25 1xss s ASN 161 Ca -0.04 0.19 0.07 0.00 -1.02 0.00 0.00 52.86 52.05 1xss s ASN 161 Cb -0.05 -2.46 -0.04 0.00 0.02 0.00 0.00 41.25 38.72 1xss s ASN 161 CO -0.03 -1.05 0.20 -0.04 0.02 0.00 0.00 177.10 176.20 1xss s MET 162 N 3.79 2.97 -0.16 -0.60 -1.94 0.62 -4.76 119.30 119.22 1xss s MET 162 Ca 0.38 -1.01 -0.09 0.00 -1.71 0.00 0.00 55.69 53.26 1xss s MET 162 Cb -0.10 -2.60 0.06 0.00 2.01 0.00 0.00 34.83 34.20 1xss s MET 162 CO 0.26 0.41 0.39 0.00 -0.01 0.00 0.00 175.02 176.07 1xss s ALA 163 N -2.08 -0.98 -0.24 3.03 0.00 -1.26 -1.43 121.76 118.79 1xss s ALA 163 Ca 0.33 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 1xss s ALA 163 Cb -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1xss s ALA 163 CO 0.25 -0.25 0.19 -0.51 0.00 0.00 0.00 175.76 175.44 1xss s LEU 164 N 1.31 4.10 0.14 0.00 1.43 0.45 -1.15 118.68 124.96 1xss s LEU 164 Ca -0.09 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1xss s LEU 164 Cb -0.08 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1xss s LEU 164 CO -0.11 0.03 1.12 -0.22 0.23 0.00 0.00 176.35 177.40 1xss s LEU 165 N 1.19 4.46 0.18 1.79 2.96 0.04 -0.84 118.68 128.46 1xss s LEU 165 Ca 0.09 2.06 0.03 0.00 -0.22 0.00 0.00 54.13 56.08 1xss s LEU 165 Cb -0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1xss s LEU 165 CO 0.06 -0.28 0.32 -0.76 -1.32 0.00 0.00 176.35 174.37 1xss s LEU 166 N 0.01 4.31 0.22 -0.68 1.43 -0.37 0.04 118.68 123.64 1xss s LEU 166 Ca 0.52 0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.71 1xss s LEU 166 Cb -0.29 -2.94 0.21 0.00 0.03 0.00 0.00 46.19 43.20 1xss s LEU 166 CO 0.33 0.01 1.89 1.56 0.23 0.00 0.00 176.35 180.36 1xss h GLN 167 N 1.88 1.05 -0.95 1.70 4.20 -1.11 -1.52 115.11 120.36 1xss h GLN 167 Ca -0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 1xss h GLN 167 Cb 1.20 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1xss h GLN 167 CO 0.67 0.69 0.01 0.41 -0.67 0.00 0.00 178.83 179.94 1xss n GLY 168 N -1.32 1.80 0.12 3.46 0.00 -1.26 -4.98 105.19 103.01 1xss n GLY 168 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1xss n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xss n GLY 169 N 0.11 -2.72 0.00 -0.02 0.00 -0.57 -5.08 105.19 96.91 1xss n GLY 169 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1xss n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xss n GLY 170 N -2.10 -0.32 3.40 -0.02 0.00 -1.26 -4.58 105.19 100.31 1xss n GLY 170 Ca -0.01 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 1xss n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xss s HIS 171 N -1.79 1.97 -0.25 1.61 0.09 -1.26 -1.24 115.29 114.43 1xss s HIS 171 Ca 0.00 -0.46 0.01 0.00 -0.00 0.00 0.00 55.06 54.61 1xss s HIS 171 Cb 0.00 -0.90 0.06 0.00 -0.00 0.00 0.00 32.58 31.75 1xss s HIS 171 CO 0.00 0.50 -0.05 -0.47 -0.00 0.00 0.00 174.74 174.73 1xss s TYR 172 N -2.64 2.53 0.36 1.40 5.04 -0.02 -4.94 117.35 119.08 1xss s TYR 172 Ca 0.25 -1.88 -0.20 0.00 -2.44 0.00 0.00 57.07 52.79 1xss s TYR 172 Cb -0.03 -1.70 -0.10 0.00 0.35 0.00 0.00 41.96 40.48 1xss s TYR 172 CO 0.10 -0.80 0.87 1.03 -1.34 0.00 0.00 175.55 175.41 1xss s ARG 173 N 1.35 4.25 -0.08 4.97 1.81 -1.26 -0.41 118.95 129.58 1xss s ARG 173 Ca -0.05 1.03 -0.06 0.00 -1.72 0.00 0.00 55.73 54.94 1xss s ARG 173 Cb -0.19 -2.45 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 1xss s ARG 173 CO -0.07 0.13 0.20 0.00 -0.68 0.00 0.00 175.30 174.88 1xss s ASP 175 N 0.60 5.04 -0.11 0.00 -0.00 -0.02 -0.28 116.67 121.91 1xss s ASP 175 Ca -0.04 -0.16 -0.11 0.00 -0.00 0.00 0.00 52.55 52.24 1xss s ASP 175 Cb -0.06 -1.88 -0.05 0.00 -0.00 0.00 0.00 42.92 40.94 1xss s ASP 175 CO -0.03 0.05 0.23 -0.36 -0.00 0.00 0.00 175.17 175.06 1xss s PHE 176 N 1.10 3.57 -0.27 4.23 0.40 -0.45 -1.31 117.98 125.25 1xss s PHE 176 Ca 0.03 0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 56.96 1xss s PHE 176 Cb -0.14 -2.13 0.09 0.00 0.51 0.00 0.00 43.02 41.34 1xss s PHE 176 CO 0.02 0.55 0.07 1.03 0.70 0.00 0.00 175.22 177.59 1xss s ARG 177 N -0.52 0.77 0.01 0.44 1.81 -0.48 -2.11 118.95 118.87 1xss s ARG 177 Ca 0.16 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.34 1xss s ARG 177 Cb -0.13 -2.06 -0.03 0.00 -0.45 0.00 0.00 34.95 32.28 1xss s ARG 177 CO 0.05 -0.86 -0.09 0.99 -0.68 0.00 0.00 175.30 174.71 1xss s THR 178 N 1.67 3.43 -0.15 0.02 2.01 0.04 -1.33 115.64 121.34 1xss s THR 178 Ca 0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1xss s THR 178 Cb -0.17 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1xss s THR 178 CO -0.19 0.37 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.07 1xss s THR 179 N -0.98 1.64 -0.18 -0.82 2.01 0.19 -0.92 115.64 116.58 1xss s THR 179 Ca 0.17 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1xss s THR 179 Cb -0.11 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1xss s THR 179 CO 0.07 0.47 0.09 -0.31 -0.69 0.00 0.00 174.62 174.25 1xss s TYR 180 N 1.39 3.34 -0.28 4.92 2.02 0.13 -1.24 117.35 127.63 1xss s TYR 180 Ca 0.03 0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1xss s TYR 180 Cb -0.13 -2.07 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 1xss s TYR 180 CO -0.10 0.28 0.04 0.15 -1.57 0.00 0.00 175.55 174.36 1xss s LYS 181 N 0.14 1.05 0.36 -0.62 1.02 0.62 -2.53 119.74 119.78 1xss s LYS 181 Ca 0.07 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.71 1xss s LYS 181 Cb -0.12 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1xss s LYS 181 CO -0.00 -0.82 1.32 0.00 -0.92 0.00 0.00 175.35 174.93 1xss s ALA 182 N 1.49 3.43 -1.67 5.17 0.00 -1.26 -1.60 121.76 127.33 1xss s ALA 182 Ca 0.04 1.28 0.29 0.00 0.00 0.00 0.00 51.96 53.57 1xss s ALA 182 Cb -0.18 -3.49 1.58 0.00 0.00 0.00 0.00 23.12 21.03 1xss s ALA 182 CO -0.15 -0.73 2.04 1.63 0.00 0.00 0.00 175.76 178.54 1xss n LYS 183 N 0.56 0.62 -3.94 0.00 5.02 -0.17 -4.80 118.16 115.46 1xss n LYS 183 Ca 0.01 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1xss n LYS 183 Cb 0.42 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1xss n LYS 183 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1xss s LYS 184 N -2.33 0.90 0.02 1.97 -2.85 -1.26 -5.00 119.74 111.19 1xss s LYS 184 Ca 0.34 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 1xss s LYS 184 Cb 0.20 0.32 -0.07 0.00 -2.06 0.00 0.00 37.83 36.22 1xss s LYS 184 CO 0.40 -0.29 1.56 0.08 0.10 0.00 0.00 175.35 177.20 1xss s VAL 185 N -3.92 3.38 0.22 1.79 1.01 -1.26 -4.96 120.40 116.66 1xss s VAL 185 Ca 0.10 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.86 1xss s VAL 185 Cb 0.05 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1xss s VAL 185 CO -0.07 -0.02 0.01 0.68 0.00 0.00 0.00 175.10 175.70 1xss s VAL 186 N 2.83 0.92 0.29 2.92 -7.23 -1.26 -5.03 120.40 113.84 1xss s VAL 186 Ca 0.70 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1xss s VAL 186 Cb -0.36 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.17 1xss s VAL 186 CO 0.30 -0.33 1.20 -1.58 -0.31 0.00 0.00 175.10 174.38 1xss s GLN 187 N -3.89 4.50 -0.06 4.82 0.74 -1.26 -5.01 119.66 119.50 1xss s GLN 187 Ca 0.28 1.99 -0.16 0.00 0.05 0.00 0.00 55.36 57.52 1xss s GLN 187 Cb 0.06 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 1xss s GLN 187 CO 0.08 0.00 0.43 -0.51 -0.55 0.00 0.00 175.29 174.74 1xss s LEU 188 N -1.43 4.38 0.63 3.68 1.43 -1.26 -4.61 118.68 121.49 1xss s LEU 188 Ca 0.48 0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1xss s LEU 188 Cb -0.35 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 1xss s LEU 188 CO 0.45 0.17 1.00 -2.16 0.23 0.00 0.00 176.35 176.05 1xss s PRO 189 N -0.26 3.18 0.72 1.29 0.04 -1.26 -4.96 135.00 133.75 1xss s PRO 189 Ca 0.24 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.64 1xss s PRO 189 Cb -0.16 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1xss s PRO 189 CO 0.11 -0.72 1.02 -0.51 0.04 0.00 0.00 177.00 176.94 1xss s ASP 190 N -4.26 4.64 0.17 6.66 1.01 -1.26 -4.59 116.67 119.03 1xss s ASP 190 Ca 0.55 0.30 -0.34 0.00 0.71 0.00 0.00 52.55 53.77 1xss s ASP 190 Cb -0.11 -0.88 -0.14 0.00 1.01 0.00 0.00 42.92 42.80 1xss s ASP 190 CO 0.50 -1.70 1.53 0.00 0.21 0.00 0.00 175.17 175.71 1xss n TYR 191 N -2.94 2.19 -3.37 4.23 9.36 -1.26 -4.85 117.16 120.52 1xss n TYR 191 Ca 0.09 0.33 -0.02 0.00 3.32 0.00 0.00 57.90 61.62 1xss n TYR 191 Cb 0.60 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 1xss n TYR 191 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1xss n HIS 192 N 3.08 -1.01 -4.19 2.98 1.44 -0.59 -4.97 115.22 111.96 1xss n HIS 192 Ca 0.16 -0.43 -0.13 0.00 -2.01 0.00 0.00 57.72 55.32 1xss n HIS 192 Cb 0.28 0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.45 1xss n HIS 192 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xss s PHE 193 N -6.34 1.04 -0.14 -1.40 0.40 -0.30 -0.66 117.98 110.58 1xss s PHE 193 Ca 0.04 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1xss s PHE 193 Cb -0.01 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 43.00 1xss s PHE 193 CO 0.03 -0.03 0.01 0.08 0.70 0.00 0.00 175.22 176.01 1xss s VAL 194 N -3.03 0.51 0.23 -0.44 1.01 -0.24 -0.90 120.40 117.55 1xss s VAL 194 Ca 0.10 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1xss s VAL 194 Cb 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1xss s VAL 194 CO -0.01 0.02 0.83 -1.81 0.00 0.00 0.00 175.10 174.13 1xss s ASP 195 N 1.89 7.34 0.11 3.32 1.01 0.76 -0.44 116.67 130.66 1xss s ASP 195 Ca 0.02 1.69 0.04 0.00 0.71 0.00 0.00 52.55 55.01 1xss s ASP 195 Cb -0.15 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1xss s ASP 195 CO -0.07 0.09 -0.10 -1.00 0.21 0.00 0.00 175.17 174.31 1xss s HIS 196 N -1.36 1.09 -0.29 4.23 3.76 0.72 -1.46 115.29 121.99 1xss s HIS 196 Ca 0.42 -0.72 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1xss s HIS 196 Cb -0.21 -0.59 0.17 0.00 1.11 0.00 0.00 32.58 33.07 1xss s HIS 196 CO 0.25 0.00 0.48 0.50 -0.85 0.00 0.00 174.74 175.13 1xss s ARG 197 N -3.19 0.47 -0.04 1.40 3.52 -0.34 -1.10 118.95 119.67 1xss s ARG 197 Ca 0.09 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1xss s ARG 197 Cb -0.00 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1xss s ARG 197 CO -0.01 -0.95 0.00 -1.50 -0.81 0.00 0.00 175.30 172.04 1xss s ILE 198 N 2.67 4.24 -0.05 4.11 2.07 -1.26 -1.58 121.20 131.39 1xss s ILE 198 Ca 0.11 -0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 58.79 1xss s ILE 198 Cb -0.12 -2.85 0.02 0.00 0.13 0.00 0.00 42.46 39.64 1xss s ILE 198 CO -0.26 0.47 0.28 -1.61 -1.91 0.00 0.00 174.94 171.91 1xss s GLU 199 N -1.29 0.51 -0.38 3.50 2.02 0.15 -4.60 118.70 118.61 1xss s GLU 199 Ca 0.17 0.04 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 1xss s GLU 199 Cb -0.11 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.35 1xss s GLU 199 CO 0.07 -0.11 0.63 0.42 0.02 0.00 0.00 175.26 176.29 1xss s ILE 200 N -0.69 4.87 -0.62 -1.63 1.01 -1.26 -1.06 121.20 121.82 1xss s ILE 200 Ca -0.08 0.42 0.24 0.00 0.00 0.00 0.00 60.65 61.23 1xss s ILE 200 Cb -0.04 -4.11 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1xss s ILE 200 CO 0.02 -0.40 1.39 0.71 0.00 0.00 0.00 174.94 176.66 1xss h THR 201 N 5.74 0.00 -1.60 2.92 1.35 -1.29 -3.48 112.91 116.55 1xss h THR 201 Ca -0.26 -0.54 0.07 0.00 -0.55 0.00 0.00 66.41 65.12 1xss h THR 201 Cb 1.11 1.21 -0.23 0.00 -1.73 0.00 0.00 68.15 68.51 1xss h THR 201 CO 0.85 0.00 0.52 -0.55 -0.25 0.00 0.00 175.52 176.09 1xss s SER 202 N -4.44 -0.39 -0.10 5.36 0.15 -1.20 -4.98 113.70 108.09 1xss s SER 202 Ca 0.07 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 56.85 1xss s SER 202 Cb 0.13 0.32 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 1xss s SER 202 CO 0.70 -0.36 0.94 -1.38 1.20 0.00 0.00 173.24 174.34 1xss s HIS 203 N -1.12 -0.38 0.73 3.44 -0.00 -1.26 -0.15 115.29 116.55 1xss s HIS 203 Ca -0.03 0.51 -0.04 0.00 -0.00 0.00 0.00 55.06 55.50 1xss s HIS 203 Cb -0.00 0.48 0.11 0.00 -0.00 0.00 0.00 32.58 33.16 1xss s HIS 203 CO 0.02 -0.43 1.02 0.16 -0.00 0.00 0.00 174.74 175.51 1xss s ASP 204 N -1.62 4.42 0.24 7.38 1.47 -0.88 -4.93 116.67 122.74 1xss s ASP 204 Ca 0.00 0.00 -0.14 0.00 1.18 0.00 0.00 52.55 53.59 1xss s ASP 204 Cb -0.01 -0.48 0.29 0.00 -0.34 0.00 0.00 42.92 42.39 1xss s ASP 204 CO -0.02 -1.82 1.57 0.50 0.68 0.00 0.00 175.17 176.09 1xss h LYS 205 N -0.63 -0.03 -0.61 2.11 3.64 -2.02 -1.62 116.57 117.41 1xss h LYS 205 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1xss h LYS 205 Cb 1.28 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1xss h LYS 205 CO 0.47 -0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 177.38 1xss n ASP 206 N -5.51 5.10 -3.08 4.20 8.00 -1.26 -4.95 116.55 119.06 1xss n ASP 206 Ca 0.11 -2.65 -0.22 0.00 0.71 0.00 0.00 54.79 52.74 1xss n ASP 206 Cb 0.41 -0.62 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1xss n ASP 206 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xss n TYR 207 N 0.88 -1.91 0.17 1.24 4.02 -0.61 -4.35 117.16 116.60 1xss n TYR 207 Ca 0.26 0.49 0.06 0.00 -0.01 0.00 0.00 57.90 58.71 1xss n TYR 207 Cb 1.01 -4.11 0.08 0.00 -0.02 0.00 0.00 39.34 36.30 1xss n TYR 207 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1xss h ASN 208 N -1.24 0.00 -3.28 7.72 2.35 -1.93 -3.43 115.58 115.77 1xss h ASN 208 Ca -0.50 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.70 1xss h ASN 208 Cb 1.35 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.37 1xss h ASN 208 CO 0.56 0.30 -0.82 -0.54 -1.65 0.00 0.00 177.43 175.28 1xss s LYS 209 N -3.06 1.82 -0.01 0.81 -0.14 -1.26 -0.58 119.74 117.32 1xss s LYS 209 Ca 0.05 -0.41 0.01 0.00 -1.36 0.00 0.00 55.97 54.26 1xss s LYS 209 Cb 0.07 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.58 1xss s LYS 209 CO 0.72 -0.11 -0.02 0.08 -0.76 0.00 0.00 175.35 175.26 1xss s VAL 210 N 1.15 0.19 -0.15 3.17 1.01 -0.60 -2.07 120.40 123.10 1xss s VAL 210 Ca -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1xss s VAL 210 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1xss s VAL 210 CO -0.03 0.08 -0.03 -0.75 0.00 0.00 0.00 175.10 174.37 1xss s LYS 211 N 0.20 3.63 0.07 2.72 2.20 0.78 0.62 119.74 129.97 1xss s LYS 211 Ca -0.02 -0.51 0.08 0.00 -0.36 0.00 0.00 55.97 55.17 1xss s LYS 211 Cb -0.04 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1xss s LYS 211 CO -0.01 0.27 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.86 1xss s LEU 212 N 0.28 2.22 0.01 5.43 2.96 0.07 -0.77 118.68 128.87 1xss s LEU 212 Ca -0.03 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1xss s LEU 212 Cb -0.14 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 1xss s LEU 212 CO 0.03 0.15 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.71 1xss s TYR 213 N -0.93 0.28 -0.06 5.38 5.04 -0.22 -1.68 117.35 125.16 1xss s TYR 213 Ca 0.09 -0.15 -0.05 0.00 -2.44 0.00 0.00 57.07 54.52 1xss s TYR 213 Cb -0.09 -0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.06 1xss s TYR 213 CO 0.03 -0.03 0.17 -2.00 -1.34 0.00 0.00 175.55 172.37 1xss s GLU 214 N -0.39 0.18 -0.07 4.97 2.12 -0.82 -0.67 118.70 124.01 1xss s GLU 214 Ca -0.02 0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.61 1xss s GLU 214 Cb -0.03 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1xss s GLU 214 CO -0.00 -0.05 -0.19 -1.58 -0.54 0.00 0.00 175.26 172.89 1xss s HIS 215 N 0.32 2.04 -0.07 5.30 5.65 -0.62 -1.98 115.29 125.94 1xss s HIS 215 Ca -0.02 -0.74 -0.07 0.00 0.25 0.00 0.00 55.06 54.47 1xss s HIS 215 Cb -0.03 -1.39 0.02 0.00 -1.18 0.00 0.00 32.58 30.00 1xss s HIS 215 CO -0.01 -0.30 0.20 0.00 -0.65 0.00 0.00 174.74 173.98 1xss s ALA 216 N 0.32 -0.50 -0.06 1.58 0.00 0.21 -1.20 121.76 122.11 1xss s ALA 216 Ca -0.13 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1xss s ALA 216 Cb -0.16 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1xss s ALA 216 CO 0.05 -0.11 0.14 0.21 0.00 0.00 0.00 175.76 176.05 1xss s LYS 217 N -0.08 0.13 0.32 0.00 2.20 -0.53 -1.62 119.74 120.16 1xss s LYS 217 Ca -0.02 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1xss s LYS 217 Cb -0.02 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 1xss s LYS 217 CO 0.01 -0.08 0.61 0.00 -0.36 0.00 0.00 175.35 175.52 1xss s ALA 218 N 0.53 3.56 0.25 3.13 0.00 -0.32 -0.17 121.76 128.74 1xss s ALA 218 Ca -0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1xss s ALA 218 Cb -0.05 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.72 1xss s ALA 218 CO -0.02 0.15 0.79 -3.38 0.00 0.00 0.00 175.76 173.29 1xss s HIS 219 N -2.19 -0.16 -0.22 0.00 -3.43 -0.08 -4.49 115.29 104.73 1xss s HIS 219 Ca 0.45 -0.27 0.15 0.00 -0.80 0.00 0.00 55.06 54.59 1xss s HIS 219 Cb -0.11 0.70 0.70 0.00 -1.43 0.00 0.00 32.58 32.44 1xss s HIS 219 CO 0.31 -1.14 1.62 0.43 -2.00 0.00 0.00 174.74 173.97 1xss n SER 220 N -0.51 4.91 0.00 7.38 7.64 -1.26 -1.15 113.62 130.63 1xss n SER 220 Ca -0.05 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1xss n SER 220 Cb 0.59 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1xss n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xss n GLY 221 N 0.09 -0.70 3.75 0.23 0.00 -1.26 -4.91 105.19 102.38 1xss n GLY 221 Ca 0.26 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1xss n GLY 221 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xss s LEU 222 N -2.15 4.36 0.65 0.99 2.96 -1.26 -4.96 118.68 119.27 1xss s LEU 222 Ca 0.00 2.82 -0.17 0.00 -0.22 0.00 0.00 54.13 56.56 1xss s LEU 222 Cb 0.00 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1xss s LEU 222 CO 0.00 -0.82 1.19 -2.84 -1.32 0.00 0.00 176.35 172.55 1xss s PRO 223 N -0.32 2.66 0.40 0.98 0.02 -1.26 -4.90 135.00 132.58 1xss s PRO 223 Ca 0.62 1.71 0.19 0.00 0.02 0.00 0.00 61.00 63.55 1xss s PRO 223 Cb -0.45 -1.90 0.83 0.00 0.02 0.00 0.00 34.50 33.00 1xss s PRO 223 CO 0.45 -1.42 1.82 0.07 -0.33 0.00 0.00 177.00 177.58 1xss h ARG 224 N 0.33 0.00 -5.71 5.54 0.11 -1.99 -3.42 114.38 109.23 1xss h ARG 224 Ca -0.49 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.00 1xss h ARG 224 Cb 1.29 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.29 1xss h ARG 224 CO 0.53 0.33 -0.22 -0.51 0.10 0.00 0.00 179.97 180.20 1xss s LEU 225 N -7.34 4.31 0.86 0.08 1.43 -1.26 -5.08 118.68 111.67 1xss s LEU 225 Ca -0.01 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1xss s LEU 225 Cb 0.12 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.89 1xss s LEU 225 CO 0.68 0.10 1.15 0.00 0.23 0.00 0.00 176.35 178.51 1xss s ALA 226 N 0.20 2.19 0.00 4.21 0.00 -1.26 -5.18 121.76 121.93 1xss s ALA 226 Ca 0.22 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1xss s ALA 226 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1xss s ALA 226 CO 0.09 -1.97 0.00 1.63 0.00 0.00 0.00 175.76 175.51