#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 6.07 0.00 4.52 0.15 -1.26 -4.92 113.70 118.25 1xss s SER 2 Ca 0.00 0.35 0.19 0.00 0.70 0.00 0.00 55.95 57.19 1xss s SER 2 Cb 0.00 -1.94 0.52 0.00 -1.71 0.00 0.00 66.02 62.89 1xss s SER 2 CO 0.00 0.36 1.43 1.33 1.20 0.00 0.00 173.24 177.57 1xss n VAL 3 N 2.30 0.92 -2.28 4.45 0.24 -1.26 -4.98 118.33 117.71 1xss n VAL 3 Ca -0.19 -0.96 -0.38 0.00 -2.04 0.00 0.00 64.34 60.77 1xss n VAL 3 Cb 0.54 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.47 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 3.15 0.23 1.34 -1.09 -1.26 -5.03 121.20 117.48 1xss s ILE 4 Ca 0.40 0.92 0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1xss s ILE 4 Cb 0.21 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1xss s ILE 4 CO 0.28 0.05 -0.08 0.28 -1.23 0.00 0.00 174.94 174.24 1xss s THR 5 N -1.47 1.51 0.43 2.92 -1.32 -1.26 -5.06 115.64 111.39 1xss s THR 5 Ca 0.59 -2.13 0.16 0.00 -1.21 0.00 0.00 61.69 59.11 1xss s THR 5 Cb -0.30 -2.24 0.36 0.00 -1.51 0.00 0.00 72.50 68.82 1xss s THR 5 CO 0.37 -0.44 1.91 0.77 -2.21 0.00 0.00 174.62 175.01 1xss h SER 6 N 2.46 0.39 -3.38 8.08 4.64 -1.96 -3.40 113.55 120.38 1xss h SER 6 Ca -0.39 0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.36 1xss h SER 6 Cb 1.22 -0.05 -0.37 0.00 -0.31 0.00 0.00 62.40 62.89 1xss h SER 6 CO 0.65 0.19 -0.81 -1.61 -0.87 0.00 0.00 176.83 174.38 1xss s GLU 7 N -5.40 1.86 0.02 4.77 2.02 -1.26 -3.88 118.70 116.82 1xss s GLU 7 Ca -0.08 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1xss s GLU 7 Cb 0.21 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 1xss s GLU 7 CO 0.77 -0.42 -0.07 -1.64 0.02 0.00 0.00 175.26 173.92 1xss s MET 8 N 1.48 0.50 0.42 1.61 -1.94 -0.77 -4.93 119.30 115.66 1xss s MET 8 Ca -0.00 -0.54 0.08 0.00 -1.71 0.00 0.00 55.69 53.51 1xss s MET 8 Cb -0.16 -0.35 -0.00 0.00 2.01 0.00 0.00 34.83 36.33 1xss s MET 8 CO -0.08 0.08 0.50 0.15 -0.01 0.00 0.00 175.02 175.65 1xss s LYS 9 N -1.03 2.72 -0.05 2.03 1.02 -0.45 -0.26 119.74 123.72 1xss s LYS 9 Ca -0.05 -1.35 -0.11 0.00 0.02 0.00 0.00 55.97 54.47 1xss s LYS 9 Cb -0.07 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1xss s LYS 9 CO 0.00 -0.24 0.27 0.00 -0.92 0.00 0.00 175.35 174.46 1xss s MET 10 N -4.27 0.48 0.00 1.68 0.23 -0.64 -0.17 119.30 116.62 1xss s MET 10 Ca 0.52 0.05 0.04 0.00 -1.03 0.00 0.00 55.69 55.27 1xss s MET 10 Cb -0.07 0.22 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 1xss s MET 10 CO 0.31 -0.10 -0.12 -1.21 -2.03 0.00 0.00 175.02 171.87 1xss s GLU 11 N -0.64 0.93 0.10 3.16 2.02 -0.22 -1.15 118.70 122.89 1xss s GLU 11 Ca -0.07 -0.50 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 1xss s GLU 11 Cb -0.04 -0.90 -0.00 0.00 0.10 0.00 0.00 34.13 33.29 1xss s GLU 11 CO 0.02 0.24 0.22 -0.48 0.02 0.00 0.00 175.26 175.28 1xss s LEU 12 N -0.51 1.28 -0.04 1.80 0.05 -0.13 -0.54 118.68 120.60 1xss s LEU 12 Ca 0.03 -0.68 -0.02 0.00 0.05 0.00 0.00 54.13 53.52 1xss s LEU 12 Cb -0.05 1.11 0.03 0.00 -2.05 0.00 0.00 46.19 45.23 1xss s LEU 12 CO -0.00 -0.77 0.08 -0.60 -0.55 0.00 0.00 176.35 174.51 1xss s ARG 13 N -3.88 -0.02 -0.10 1.48 3.52 -1.01 -1.48 118.95 117.46 1xss s ARG 13 Ca 0.07 0.35 0.03 0.00 -0.13 0.00 0.00 55.73 56.04 1xss s ARG 13 Cb 0.04 -0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.09 1xss s ARG 13 CO -0.09 -0.25 -0.18 1.41 -0.81 0.00 0.00 175.30 175.38 1xss s MET 14 N 1.67 3.05 -0.04 5.12 -2.45 0.19 -1.31 119.30 125.51 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 -0.12 -2.43 -0.01 0.00 1.25 0.00 0.00 34.83 33.53 1xss s MET 14 CO -0.04 0.28 -0.19 -1.21 1.05 0.00 0.00 175.02 174.91 1xss s GLU 15 N 0.14 1.94 0.00 4.11 2.02 -0.67 -0.56 118.70 125.68 1xss s GLU 15 Ca -0.10 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1xss s GLU 15 Cb -0.16 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.38 1xss s GLU 15 CO 0.06 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1xss n GLY 16 N 3.04 1.30 3.53 -1.39 0.00 -0.58 -1.63 105.19 109.47 1xss n GLY 16 Ca -0.18 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.60 -0.12 4.61 0.00 -0.31 -1.30 121.76 122.04 1xss s ALA 17 Ca 0.00 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 1xss s ALA 17 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1xss s ALA 17 CO 0.00 -0.32 -0.06 0.08 0.00 0.00 0.00 175.76 175.46 1xss s VAL 18 N -0.13 0.95 -1.43 0.00 1.01 -0.61 -1.11 120.40 119.08 1xss s VAL 18 Ca -0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1xss s VAL 18 Cb -0.03 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1xss s VAL 18 CO 0.03 0.28 0.66 0.59 0.00 0.00 0.00 175.10 176.66 1xss n ASN 19 N 4.95 -4.96 0.00 3.32 4.13 0.43 -0.88 115.26 122.25 1xss n ASN 19 Ca -0.12 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.72 1xss n ASN 19 Cb 0.49 -4.02 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 1xss n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xss n GLY 20 N -1.44 1.46 3.55 7.41 0.00 -1.26 -5.01 105.19 109.91 1xss n GLY 20 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.25 3.00 0.51 1.61 5.04 -0.06 -5.02 115.29 117.11 1xss s HIS 21 Ca 0.00 0.26 -0.19 0.00 -1.54 0.00 0.00 55.06 53.59 1xss s HIS 21 Cb 0.00 -3.67 -0.08 0.00 0.04 0.00 0.00 32.58 28.87 1xss s HIS 21 CO 0.00 -0.97 1.02 0.15 -2.34 0.00 0.00 174.74 172.61 1xss s LYS 22 N 3.34 3.75 0.08 2.88 1.02 -1.26 -1.58 119.74 127.97 1xss s LYS 22 Ca 0.31 1.24 -0.26 0.00 0.02 0.00 0.00 55.97 57.29 1xss s LYS 22 Cb -0.12 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1xss s LYS 22 CO 0.22 -0.45 0.73 -0.59 -0.92 0.00 0.00 175.35 174.34 1xss s PHE 23 N -2.20 -0.46 -0.02 3.18 -0.12 -0.42 -4.20 117.98 113.74 1xss s PHE 23 Ca 0.65 0.31 0.01 0.00 -0.05 0.00 0.00 56.93 57.84 1xss s PHE 23 Cb -0.14 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1xss s PHE 23 CO 0.25 -0.71 -0.01 0.08 -0.05 0.00 0.00 175.22 174.78 1xss s VAL 24 N -3.37 0.19 -0.02 -2.49 1.01 -0.60 -1.53 120.40 113.59 1xss s VAL 24 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1xss s VAL 24 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1xss s VAL 24 CO -0.10 0.12 -0.06 -0.63 0.00 0.00 0.00 175.10 174.43 1xss s ILE 25 N 0.71 0.51 0.24 2.22 1.01 0.27 -1.07 121.20 125.10 1xss s ILE 25 Ca -0.07 -0.21 0.12 0.00 0.00 0.00 0.00 60.65 60.48 1xss s ILE 25 Cb -0.10 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 1xss s ILE 25 CO -0.01 0.17 -0.21 0.42 0.00 0.00 0.00 174.94 175.31 1xss s THR 26 N 0.25 2.47 0.17 2.92 -4.23 -0.63 0.52 115.64 117.12 1xss s THR 26 Ca -0.03 -2.24 -0.20 0.00 -1.18 0.00 0.00 61.69 58.04 1xss s THR 26 Cb -0.07 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1xss s THR 26 CO -0.00 -0.28 0.55 -0.83 -0.54 0.00 0.00 174.62 173.52 1xss s GLY 27 N -3.18 -0.35 -0.06 3.99 0.00 -0.55 -0.72 107.32 106.44 1xss s GLY 27 Ca 0.26 0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 1xss s GLY 27 CO 0.13 -0.07 0.35 -1.59 0.00 0.00 0.00 173.10 171.92 1xss s LYS 28 N -3.81 0.60 0.00 2.90 -2.85 -0.85 -0.95 119.74 114.77 1xss s LYS 28 Ca 0.05 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 1xss s LYS 28 Cb -0.01 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1xss s LYS 28 CO -0.08 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1xss n GLY 29 N 1.88 1.77 3.23 0.59 0.00 -0.30 -1.03 105.19 111.33 1xss n GLY 29 Ca -0.18 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 0.30 -0.06 0.28 1.61 1.04 -0.45 -1.62 113.70 114.81 1xss s SER 30 Ca 0.00 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 1xss s SER 30 Cb 0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1xss s SER 30 CO 0.00 -0.63 0.60 -0.83 0.98 0.00 0.00 173.24 173.37 1xss s GLY 31 N -2.21 0.37 -0.41 7.32 0.00 0.64 -1.27 107.32 111.77 1xss s GLY 31 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1xss s GLY 31 CO -0.05 -0.43 0.16 1.20 0.00 0.00 0.00 173.10 173.98 1xss s GLN 32 N -3.69 1.78 0.26 2.90 -0.21 0.92 -1.85 119.66 119.77 1xss s GLN 32 Ca 0.18 -2.08 -0.02 0.00 0.02 0.00 0.00 55.36 53.47 1xss s GLN 32 Cb -0.03 -3.35 0.53 0.00 1.00 0.00 0.00 33.01 31.16 1xss s GLN 32 CO 0.10 -1.02 1.72 -1.35 -2.12 0.00 0.00 175.29 172.62 1xss h PRO 33 N 7.42 0.43 0.00 2.91 0.11 -1.78 -0.47 132.00 140.63 1xss h PRO 33 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1xss h PRO 33 Cb 0.99 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1xss h PRO 33 CO 0.61 0.29 0.00 0.74 -0.21 0.00 0.00 178.00 179.42 1xss h PHE 34 N 0.45 0.00 -0.00 0.65 0.05 -1.83 -3.11 116.94 113.15 1xss h PHE 34 Ca 0.46 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.25 1xss h PHE 34 Cb 0.74 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.69 1xss h PHE 34 CO -0.16 0.00 -0.94 0.39 -0.18 0.00 0.00 178.31 177.42 1xss n GLU 35 N -2.83 0.36 -1.95 1.51 -0.58 -0.75 -4.47 120.64 111.93 1xss n GLU 35 Ca 0.03 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.64 1xss n GLU 35 Cb 0.41 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 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 1.47 0.28 3.30 0.62 0.00 -0.26 -4.45 105.19 106.15 1xss n GLY 36 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.49 1.77 0.12 -0.61 -4.36 -1.15 -0.45 121.20 114.03 1xss s ILE 37 Ca 0.00 -1.57 -0.24 0.00 -0.26 0.00 0.00 60.65 58.58 1xss s ILE 37 Cb 0.00 -1.61 0.07 0.00 1.25 0.00 0.00 42.46 42.17 1xss s ILE 37 CO 0.00 -0.05 0.60 0.00 0.24 0.00 0.00 174.94 175.73 1xss s GLN 38 N -1.95 1.23 -0.00 0.37 -2.07 -0.84 -0.06 119.66 116.35 1xss s GLN 38 Ca 0.07 -0.36 -0.08 0.00 -1.82 0.00 0.00 55.36 53.18 1xss s GLN 38 Cb -0.10 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 1xss s GLN 38 CO 0.04 -0.51 0.15 0.54 -1.32 0.00 0.00 175.29 174.19 1xss s ASN 39 N -2.49 0.00 0.15 12.60 2.20 -0.39 -2.08 114.94 124.93 1xss s ASN 39 Ca -0.01 -0.16 -0.18 0.00 -0.94 0.00 0.00 52.86 51.57 1xss s ASN 39 Cb -0.01 0.22 0.04 0.00 -2.00 0.00 0.00 41.25 39.50 1xss s ASN 39 CO -0.09 -0.36 0.47 0.00 -2.94 0.00 0.00 177.10 174.18 1xss s MET 40 N -1.32 1.18 -0.10 3.55 0.23 -0.76 -1.34 119.30 120.74 1xss s MET 40 Ca -0.14 -0.68 0.03 0.00 -1.03 0.00 0.00 55.69 53.87 1xss s MET 40 Cb -0.07 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.73 1xss s MET 40 CO 0.02 -0.48 -0.20 -0.51 -2.03 0.00 0.00 175.02 171.82 1xss s ASP 41 N -2.80 3.45 0.08 -1.18 1.11 -0.20 -0.67 116.67 116.46 1xss s ASP 41 Ca 0.04 -0.45 0.06 0.00 0.18 0.00 0.00 52.55 52.37 1xss s ASP 41 Cb 0.01 -1.36 -0.04 0.00 1.07 0.00 0.00 42.92 42.60 1xss s ASP 41 CO -0.11 0.19 -0.09 -0.76 1.18 0.00 0.00 175.17 175.58 1xss s LEU 42 N 0.20 3.08 -0.05 1.23 1.43 0.17 -2.01 118.68 122.73 1xss s LEU 42 Ca -0.12 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1xss s LEU 42 Cb -0.16 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1xss s LEU 42 CO 0.07 0.20 -0.00 -0.89 0.23 0.00 0.00 176.35 175.96 1xss s THR 43 N -1.16 0.31 -0.32 5.49 2.01 0.10 -1.66 115.64 120.42 1xss s THR 43 Ca 0.20 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.01 1xss s THR 43 Cb -0.11 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1xss s THR 43 CO 0.12 0.21 1.02 -0.69 -0.69 0.00 0.00 174.62 174.59 1xss s VAL 44 N 1.50 4.56 -0.03 3.82 1.01 0.23 -1.61 120.40 129.88 1xss s VAL 44 Ca -0.03 1.61 0.20 0.00 0.00 0.00 0.00 61.98 63.77 1xss s VAL 44 Cb -0.13 -4.36 -0.31 0.00 0.00 0.00 0.00 36.38 31.57 1xss s VAL 44 CO -0.03 -0.44 0.44 2.30 0.00 0.00 0.00 175.10 177.37 1xss n ILE 45 N 5.81 0.02 -3.85 2.22 -5.35 -0.23 -4.86 119.36 113.12 1xss n ILE 45 Ca 0.10 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 1xss n ILE 45 Cb 0.47 0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.29 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 -3.39 0.29 0.00 6.28 2.02 -1.03 -4.89 118.70 117.98 1xss s GLU 46 Ca -0.07 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1xss s GLU 46 Cb 0.13 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1xss s GLU 46 CO 0.84 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.48 1xss n GLY 47 N 2.36 0.86 3.82 -1.39 0.00 -1.26 -1.56 105.19 108.02 1xss n GLY 47 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.62 2.36 0.09 -0.02 0.00 -1.26 -3.70 107.32 103.16 1xss s GLY 48 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 1xss s GLY 48 CO 0.00 0.68 0.95 2.56 0.00 0.00 0.00 173.10 177.29 1xss s PRO 49 N -3.32 4.66 0.24 2.90 0.04 -1.26 -5.10 135.00 133.17 1xss s PRO 49 Ca 0.62 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1xss s PRO 49 Cb -0.10 -3.39 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1xss s PRO 49 CO 0.17 0.17 1.62 1.28 0.04 0.00 0.00 177.00 180.28 1xss n LEU 50 N 2.97 3.96 -0.21 -3.56 4.77 -1.24 -4.89 117.00 118.80 1xss n LEU 50 Ca 0.03 1.11 0.14 0.00 -0.03 0.00 0.00 56.01 57.26 1xss n LEU 50 Cb 0.50 -1.55 0.64 0.00 -2.33 0.00 0.00 43.42 40.67 1xss n LEU 50 CO 0.51 0.05 0.90 -0.81 -1.33 0.00 0.00 177.39 176.71 1xss n PRO 51 N 2.95 1.07 -4.44 3.23 -0.04 -1.26 -4.88 135.00 131.62 1xss n PRO 51 Ca 0.13 -0.43 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 1xss n PRO 51 Cb 0.35 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.23 2.39 0.08 0.54 -0.12 -1.26 -4.61 117.98 112.77 1xss s PHE 52 Ca 0.35 -0.33 -0.31 0.00 -0.05 0.00 0.00 56.93 56.59 1xss s PHE 52 Cb 0.21 -1.09 -0.10 0.00 -0.63 0.00 0.00 43.02 41.40 1xss s PHE 52 CO 0.41 0.68 1.87 0.00 -0.05 0.00 0.00 175.22 178.13 1xss n ALA 53 N -0.70 1.90 0.19 1.99 0.00 0.23 -4.86 120.51 119.25 1xss n ALA 53 Ca -0.05 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.78 1xss n ALA 53 Cb 0.60 -2.60 0.63 0.00 0.00 0.00 0.00 19.45 18.08 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 9.08 0.04 -0.86 0.00 3.57 -1.95 -2.49 116.94 124.33 1xss h PHE 54 Ca -0.47 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.26 1xss h PHE 54 Cb 1.23 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1xss h PHE 54 CO 0.84 0.02 0.60 -0.44 -2.23 0.00 0.00 178.31 177.11 1xss h ASP 55 N 0.04 0.11 0.38 0.41 3.32 -1.97 0.48 116.42 119.20 1xss h ASP 55 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xss h ASP 55 Cb 0.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xss h ASP 55 CO -0.00 0.04 0.00 0.16 -1.72 0.00 0.00 179.24 177.72 1xss h ILE 56 N 0.11 0.00 0.00 0.35 3.07 -1.84 -2.95 117.51 116.26 1xss h ILE 56 Ca 0.42 -0.13 -0.17 0.00 1.55 0.00 0.00 64.86 66.53 1xss h ILE 56 Cb 1.49 0.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.79 1xss h ILE 56 CO -0.06 0.00 -2.05 0.18 -1.05 0.00 0.00 178.15 175.17 1xss n LEU 57 N -2.35 0.14 -0.35 0.16 4.77 0.16 -4.66 117.00 114.87 1xss n LEU 57 Ca 0.00 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1xss n LEU 57 Cb 0.14 0.21 0.30 0.00 -2.33 0.00 0.00 43.42 41.73 1xss n LEU 57 CO 0.16 0.21 1.22 0.71 -1.33 0.00 0.00 177.39 178.36 1xss h THR 58 N 0.00 0.81 0.00 -5.08 1.35 -1.51 -0.44 112.91 108.03 1xss h THR 58 Ca -0.24 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1xss h THR 58 Cb 1.57 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1xss h THR 58 CO 0.02 0.16 0.00 0.35 -0.25 0.00 0.00 175.52 175.79 1xss n THR 59 N -4.67 0.20 -0.02 6.82 -2.24 -1.26 -2.36 114.28 110.75 1xss n THR 59 Ca 0.21 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1xss n THR 59 Cb 0.47 -0.66 -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 -1.21 1.64 -1.29 2.28 0.31 -0.19 -4.85 118.33 115.02 1xss n VAL 60 Ca 0.13 -0.77 -0.37 0.00 -0.01 0.00 0.00 64.34 63.32 1xss n VAL 60 Cb 0.16 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 -3.13 2.43 0.00 3.52 0.99 -0.99 -5.02 117.46 115.27 1xss n PHE 61 Ca -0.20 -2.54 0.00 0.00 -0.00 0.00 0.00 57.45 54.71 1xss n PHE 61 Cb 1.05 -2.17 0.00 0.00 -1.00 0.00 0.00 39.48 37.36 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 5.37 0.00 0.00 4.37 2.85 -1.26 -5.13 115.26 121.46 1xss n ASN 65 Ca 0.57 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 55.08 1xss n ASN 65 Cb 0.30 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.54 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 0.45 0.17 1.20 3.00 -1.26 -1.81 116.66 118.40 1xss n ARG 66 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1xss n ARG 66 Cb 0.00 -1.26 0.28 0.00 0.00 0.00 0.00 32.46 31.48 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 1.17 -1.06 5.15 2.07 -1.95 -3.30 116.25 118.33 1xss h VAL 67 Ca 0.00 -1.71 -0.74 0.00 0.82 0.00 0.00 66.70 65.07 1xss h VAL 67 Cb 0.00 1.96 -0.13 0.00 -1.52 0.00 0.00 31.29 31.61 1xss h VAL 67 CO 0.00 0.46 2.28 0.49 0.02 0.00 0.00 177.57 180.82 1xss n PHE 68 N -3.74 3.15 -3.74 1.57 3.01 -0.75 -4.67 117.46 112.28 1xss n PHE 68 Ca -0.01 -2.85 -0.12 0.00 1.01 0.00 0.00 57.45 55.48 1xss n PHE 68 Cb 0.53 -2.11 -0.13 0.00 -0.01 0.00 0.00 39.48 37.77 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 1.13 -0.03 -0.55 -4.37 1.01 -1.23 -4.39 120.40 111.97 1xss s VAL 69 Ca 0.42 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1xss s VAL 69 Cb 0.10 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1xss s VAL 69 CO -0.02 0.04 1.13 -0.75 0.00 0.00 0.00 175.10 175.50 1xss s LYS 70 N 0.92 3.53 -0.16 2.72 2.20 -0.62 -4.44 119.74 123.88 1xss s LYS 70 Ca -0.06 0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.66 1xss s LYS 70 Cb -0.08 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 1xss s LYS 70 CO -0.06 -1.57 0.24 0.71 -0.36 0.00 0.00 175.35 174.31 1xss s TYR 71 N 4.65 3.47 0.76 4.03 1.51 -1.26 -1.25 117.35 129.25 1xss s TYR 71 Ca 0.42 0.53 -0.13 0.00 -1.01 0.00 0.00 57.07 56.87 1xss s TYR 71 Cb -0.08 -2.25 0.05 0.00 -0.11 0.00 0.00 41.96 39.57 1xss s TYR 71 CO 0.26 0.31 1.15 -2.14 -1.11 0.00 0.00 175.55 174.02 1xss s PRO 72 N 0.25 2.09 0.44 -1.71 0.02 -1.26 -4.90 135.00 129.93 1xss s PRO 72 Ca 0.14 1.54 0.12 0.00 0.02 0.00 0.00 61.00 62.81 1xss s PRO 72 Cb -0.12 -1.85 0.97 0.00 0.02 0.00 0.00 34.50 33.52 1xss s PRO 72 CO 0.02 -1.83 2.03 1.49 -0.33 0.00 0.00 177.00 178.38 1xss h GLU 73 N -0.67 0.20 0.00 5.54 4.81 -2.00 -2.71 114.58 119.76 1xss h GLU 73 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1xss h GLU 73 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1xss h GLU 73 CO 0.49 0.23 0.00 -0.85 -0.73 0.00 0.00 179.01 178.16 1xss n GLU 74 N -4.40 0.20 -4.06 1.92 0.00 -1.26 -4.74 120.64 108.29 1xss n GLU 74 Ca -0.01 0.31 -0.35 0.00 0.00 0.00 0.00 57.16 57.11 1xss n GLU 74 Cb 0.17 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 29.72 1xss n GLU 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xss s ILE 75 N -3.19 4.76 0.15 3.84 1.01 -1.02 -5.07 121.20 121.67 1xss s ILE 75 Ca 0.07 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.36 1xss s ILE 75 Cb 0.11 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1xss s ILE 75 CO 0.47 0.50 1.52 -0.69 0.00 0.00 0.00 174.94 176.74 1xss s VAL 76 N 0.04 2.82 -0.73 2.92 1.01 -1.26 -4.71 120.40 120.48 1xss s VAL 76 Ca 0.05 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1xss s VAL 76 Cb -0.12 -3.37 0.18 0.00 0.00 0.00 0.00 36.38 33.07 1xss s VAL 76 CO 0.01 0.04 0.70 -0.62 0.00 0.00 0.00 175.10 175.23 1xss s ASP 77 N 1.18 6.56 0.36 3.32 -1.08 -1.26 -4.65 116.67 121.10 1xss s ASP 77 Ca 0.69 -2.34 0.07 0.00 -0.52 0.00 0.00 52.55 50.44 1xss s ASP 77 Cb -0.42 -2.22 0.75 0.00 -1.46 0.00 0.00 42.92 39.57 1xss s ASP 77 CO 0.31 -0.70 1.93 0.22 0.52 0.00 0.00 175.17 177.45 1xss h TYR 78 N 8.21 0.79 0.00 -5.34 3.20 -1.93 -3.03 116.97 118.88 1xss h TYR 78 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1xss h TYR 78 Cb 1.06 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1xss h TYR 78 CO 0.94 0.38 -0.02 0.74 -1.64 0.00 0.00 178.16 178.56 1xss h PHE 79 N 0.75 0.02 0.00 -3.82 0.04 -1.91 -3.20 116.94 108.82 1xss h PHE 79 Ca 0.36 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 1xss h PHE 79 Cb 0.39 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1xss h PHE 79 CO -0.00 0.91 -0.06 0.87 -0.60 0.00 0.00 178.31 179.43 1xss h LYS 80 N -0.88 0.00 -0.02 1.51 1.57 -1.90 -2.34 116.57 114.51 1xss h LYS 80 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1xss h LYS 80 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1xss h LYS 80 CO 0.00 0.06 -0.78 1.96 -0.57 0.00 0.00 179.45 180.12 1xss h GLN 81 N 0.00 0.18 0.00 3.15 4.20 -1.62 -3.33 115.11 117.69 1xss h GLN 81 Ca -0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1xss h GLN 81 Cb 0.31 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1xss h GLN 81 CO 0.01 0.87 -0.01 0.66 -0.67 0.00 0.00 178.83 179.69 1xss h SER 82 N 0.11 0.00 -3.67 1.46 4.64 -1.41 -3.45 113.55 111.23 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 1.36 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.51 1xss h SER 82 CO 0.12 0.01 0.18 -0.36 -0.87 0.00 0.00 176.83 175.91 1xss s PHE 83 N -3.96 3.23 0.10 4.77 0.40 -1.25 -0.13 117.98 121.14 1xss s PHE 83 Ca -0.02 0.64 0.34 0.00 -0.60 0.00 0.00 56.93 57.28 1xss s PHE 83 Cb 0.11 -2.77 1.44 0.00 0.51 0.00 0.00 43.02 42.31 1xss s PHE 83 CO 0.48 -0.87 1.99 -1.00 0.70 0.00 0.00 175.22 176.53 1xss h PRO 84 N -0.21 0.00 -0.50 0.24 0.13 -1.93 -3.42 132.00 126.32 1xss h PRO 84 Ca -0.45 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1xss h PRO 84 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 1xss h PRO 84 CO 0.61 0.00 0.12 0.93 -0.23 0.00 0.00 178.00 179.42 1xss h GLU 85 N 0.00 0.25 0.00 0.86 3.07 -1.92 -3.24 114.58 113.61 1xss h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xss h GLU 85 Cb 0.44 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xss h GLU 85 CO 0.00 0.17 0.00 0.41 -1.40 0.00 0.00 179.01 178.19 1xss n GLY 86 N -1.28 -1.86 3.81 -3.84 0.00 0.82 -4.61 105.19 98.22 1xss n GLY 86 Ca 0.06 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 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 0.15 1.61 1.13 -1.09 -0.86 117.35 118.17 1xss s TYR 87 Ca 0.00 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.37 1xss s TYR 87 Cb 0.00 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1xss s TYR 87 CO 0.00 -1.20 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.23 1xss s SER 88 N -2.93 1.58 0.02 -0.18 1.04 -0.56 -1.15 113.70 111.52 1xss s SER 88 Ca 0.13 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 1xss s SER 88 Cb -0.05 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1xss s SER 88 CO 0.07 -0.41 0.04 -1.66 0.98 0.00 0.00 173.24 172.26 1xss s TRP 89 N -3.44 0.23 0.05 5.02 1.48 -0.19 -0.41 118.94 121.68 1xss s TRP 89 Ca 0.18 -0.50 0.07 0.00 -1.06 0.00 0.00 56.10 54.79 1xss s TRP 89 Cb 0.04 -0.17 -0.03 0.00 -1.16 0.00 0.00 33.47 32.15 1xss s TRP 89 CO 0.01 -0.28 -0.21 -1.21 -4.06 0.00 0.00 176.95 171.20 1xss s GLU 90 N -2.03 1.34 -0.14 3.25 2.02 -0.41 -1.44 118.70 121.29 1xss s GLU 90 Ca -0.10 -0.96 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 1xss s GLU 90 Cb -0.05 -1.47 0.04 0.00 0.10 0.00 0.00 34.13 32.75 1xss s GLU 90 CO -0.02 0.37 0.40 0.50 0.02 0.00 0.00 175.26 176.53 1xss s ARG 91 N -1.27 0.50 -0.10 1.61 3.52 0.01 -0.59 118.95 122.64 1xss s ARG 91 Ca 0.07 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1xss s ARG 91 Cb -0.09 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 1xss s ARG 91 CO 0.02 -0.07 -0.12 -1.54 -0.81 0.00 0.00 175.30 172.78 1xss s SER 92 N 0.03 4.17 -0.34 -2.12 1.04 -0.46 -1.31 113.70 114.71 1xss s SER 92 Ca -0.02 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1xss s SER 92 Cb -0.03 -1.35 0.10 0.00 0.10 0.00 0.00 66.02 64.85 1xss s SER 92 CO 0.01 0.24 0.09 -0.04 0.98 0.00 0.00 173.24 174.52 1xss s MET 93 N -0.11 1.20 -0.37 4.02 -1.94 0.81 -1.40 119.30 121.51 1xss s MET 93 Ca -0.01 -1.62 -0.16 0.00 -1.71 0.00 0.00 55.69 52.19 1xss s MET 93 Cb -0.14 -2.70 -0.00 0.00 2.01 0.00 0.00 34.83 34.00 1xss s MET 93 CO 0.03 -0.98 0.37 0.45 -0.01 0.00 0.00 175.02 174.89 1xss s SER 94 N 1.08 6.17 0.35 3.03 0.15 -0.42 -1.31 113.70 122.75 1xss s SER 94 Ca 0.11 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.21 1xss s SER 94 Cb -0.19 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 61.84 1xss s SER 94 CO -0.14 -0.41 0.75 -0.31 1.20 0.00 0.00 173.24 174.34 1xss s TYR 95 N 2.01 3.40 -0.09 3.44 1.51 0.00 -0.74 117.35 126.88 1xss s TYR 95 Ca 0.11 1.19 0.27 0.00 -1.01 0.00 0.00 57.07 57.63 1xss s TYR 95 Cb -0.17 -2.52 1.36 0.00 -0.11 0.00 0.00 41.96 40.52 1xss s TYR 95 CO 0.12 0.03 1.82 1.05 -1.11 0.00 0.00 175.55 177.47 1xss h GLU 96 N 1.98 0.00 -0.66 -0.62 4.11 -1.43 -2.10 114.58 115.85 1xss h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1xss h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1xss h GLU 96 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 1xss n ASP 97 N -2.47 4.87 0.00 3.06 5.75 -1.26 -4.92 116.55 121.58 1xss n ASP 97 Ca -0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1xss n ASP 97 Cb 0.11 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 1.11 3.42 3.75 6.12 0.00 -0.79 -4.81 105.19 114.00 1xss n GLY 98 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.82 2.88 -0.14 -0.02 0.00 -1.20 -4.78 107.32 101.24 1xss s GLY 99 Ca 0.00 1.29 -0.16 0.00 0.00 0.00 0.00 44.72 45.85 1xss s GLY 99 CO 0.00 1.80 0.43 -1.50 0.00 0.00 0.00 173.10 173.83 1xss s ILE 100 N -1.33 0.01 0.04 0.90 2.07 -0.66 -0.82 121.20 121.41 1xss s ILE 100 Ca 0.71 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.94 1xss s ILE 100 Cb -0.39 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1xss s ILE 100 CO 0.46 -0.03 -0.14 0.00 -1.91 0.00 0.00 174.94 173.32 1xss s LEU 102 N -1.20 2.10 0.02 0.00 1.43 0.15 -0.14 118.68 121.05 1xss s LEU 102 Ca 0.01 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 1xss s LEU 102 Cb -0.08 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1xss s LEU 102 CO 0.01 0.22 0.18 0.00 0.23 0.00 0.00 176.35 177.00 1xss s ALA 103 N -0.63 -0.37 0.03 4.21 0.00 -0.42 -1.00 121.76 123.59 1xss s ALA 103 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1xss s ALA 103 Cb -0.08 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1xss s ALA 103 CO 0.00 -0.31 -0.07 0.95 0.00 0.00 0.00 175.76 176.34 1xss s THR 104 N -2.12 0.50 -0.07 0.00 -4.23 -0.58 -0.81 115.64 108.34 1xss s THR 104 Ca -0.09 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1xss s THR 104 Cb -0.03 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.31 1xss s THR 104 CO -0.02 -0.26 0.13 0.21 -0.54 0.00 0.00 174.62 174.14 1xss s ASN 105 N -1.22 0.71 -0.30 3.99 3.04 -0.52 -1.80 114.94 118.84 1xss s ASN 105 Ca -0.07 0.25 -0.09 0.00 0.04 0.00 0.00 52.86 52.99 1xss s ASN 105 Cb -0.08 0.14 -0.01 0.00 -1.54 0.00 0.00 41.25 39.76 1xss s ASN 105 CO 0.00 -0.23 0.13 0.21 -3.04 0.00 0.00 177.10 174.17 1xss s ASN 106 N 2.07 5.45 -0.18 -4.21 2.47 -0.40 -1.02 114.94 119.11 1xss s ASN 106 Ca 0.02 -0.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.77 1xss s ASN 106 Cb -0.12 -1.98 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 1xss s ASN 106 CO -0.05 -0.16 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.52 1xss s ILE 107 N 1.60 3.97 0.35 -5.21 1.01 -0.30 -1.62 121.20 120.99 1xss s ILE 107 Ca 0.05 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1xss s ILE 107 Cb -0.17 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1xss s ILE 107 CO 0.05 0.46 0.07 0.42 0.00 0.00 0.00 174.94 175.95 1xss s THR 108 N 0.66 1.07 -0.05 2.92 -4.23 -0.80 -2.68 115.64 112.54 1xss s THR 108 Ca -0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1xss s THR 108 Cb -0.14 -2.68 -0.00 0.00 1.34 0.00 0.00 72.50 71.01 1xss s THR 108 CO 0.02 0.00 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.88 1xss s MET 109 N -3.86 1.91 0.26 3.99 -1.94 -1.22 -1.22 119.30 117.22 1xss s MET 109 Ca 0.33 -0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 1xss s MET 109 Cb 0.07 -1.64 -0.09 0.00 2.01 0.00 0.00 34.83 35.18 1xss s MET 109 CO 0.15 0.25 1.28 0.15 -0.01 0.00 0.00 175.02 176.84 1xss s LYS 110 N 0.05 4.41 -0.42 2.03 1.02 -0.59 -4.92 119.74 121.32 1xss s LYS 110 Ca -0.05 2.08 0.03 0.00 0.02 0.00 0.00 55.97 58.06 1xss s LYS 110 Cb -0.12 -3.15 0.60 0.00 -0.52 0.00 0.00 37.83 34.64 1xss s LYS 110 CO 0.03 -0.17 1.85 0.36 -0.92 0.00 0.00 175.35 176.50 1xss n LYS 111 N 1.76 2.16 -0.15 1.68 0.00 -1.26 -4.16 118.16 118.19 1xss n LYS 111 Ca 0.03 -2.77 0.10 0.00 -0.00 0.00 0.00 58.31 55.68 1xss n LYS 111 Cb 0.43 -2.08 0.18 0.00 -0.00 0.00 0.00 35.03 33.55 1xss n LYS 111 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1xss n ASP 112 N -0.99 3.21 0.00 -5.58 5.75 -1.26 -4.95 116.55 112.72 1xss n ASP 112 Ca 0.55 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1xss n ASP 112 Cb 1.53 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 41.42 1xss n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xss n GLY 113 N 1.29 0.47 0.28 6.12 0.00 -1.26 -4.92 105.19 107.17 1xss n GLY 113 Ca 0.17 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.66 0.85 -3.87 1.61 3.41 -1.26 -4.93 113.62 110.09 1xss n SER 114 Ca 0.00 -1.54 -0.30 0.00 -0.26 0.00 0.00 58.87 56.77 1xss n SER 114 Cb 0.00 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.23 -2.52 -4.02 4.04 3.02 -1.26 -4.70 115.26 109.58 1xss n ASN 115 Ca 0.16 -1.05 -0.24 0.00 -0.03 0.00 0.00 54.58 53.42 1xss n ASN 115 Cb 0.20 -3.01 -0.16 0.00 -0.61 0.00 0.00 39.78 36.20 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 0.52 3.45 -0.08 0.00 0.08 0.77 -1.55 117.98 121.17 1xss s PHE 117 Ca -0.11 0.83 0.01 0.00 0.12 0.00 0.00 56.93 57.78 1xss s PHE 117 Cb -0.14 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1xss s PHE 117 CO 0.03 0.15 -0.09 0.08 -0.10 0.00 0.00 175.22 175.29 1xss s VAL 118 N -2.03 0.97 -0.13 -0.44 1.01 -0.35 -1.06 120.40 118.37 1xss s VAL 118 Ca 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1xss s VAL 118 Cb -0.11 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1xss s VAL 118 CO 0.26 0.34 -0.04 -0.31 0.00 0.00 0.00 175.10 175.35 1xss s TYR 119 N 1.16 3.02 -0.30 5.22 2.02 0.30 -1.90 117.35 126.87 1xss s TYR 119 Ca -0.06 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1xss s TYR 119 Cb -0.14 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1xss s TYR 119 CO -0.02 0.11 0.02 -2.00 -1.57 0.00 0.00 175.55 172.09 1xss s GLU 120 N -0.06 2.54 -0.03 -0.62 2.12 -0.64 -2.40 118.70 119.61 1xss s GLU 120 Ca 0.01 -1.20 0.06 0.00 0.36 0.00 0.00 54.97 54.20 1xss s GLU 120 Cb -0.13 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 1xss s GLU 120 CO 0.03 -0.60 -0.20 0.42 -0.54 0.00 0.00 175.26 174.36 1xss s ILE 121 N 1.31 2.55 -0.05 -3.70 1.01 -0.43 -1.27 121.20 120.61 1xss s ILE 121 Ca -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1xss s ILE 121 Cb -0.19 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 1xss s ILE 121 CO -0.00 0.59 -0.17 -0.60 0.00 0.00 0.00 174.94 174.75 1xss s ARG 122 N -0.67 1.94 -0.04 2.79 6.06 -0.74 -1.66 118.95 126.62 1xss s ARG 122 Ca 0.11 -0.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 1xss s ARG 122 Cb -0.10 -1.64 0.02 0.00 0.06 0.00 0.00 34.95 33.30 1xss s ARG 122 CO -0.00 0.21 -0.02 0.12 -2.50 0.00 0.00 175.30 173.10 1xss s PHE 123 N 0.16 0.59 -0.02 5.12 2.19 -0.64 -1.53 117.98 123.85 1xss s PHE 123 Ca -0.07 -0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.06 1xss s PHE 123 Cb -0.13 -0.60 0.02 0.00 -1.31 0.00 0.00 43.02 41.00 1xss s PHE 123 CO 0.03 -0.19 0.01 -0.51 1.83 0.00 0.00 175.22 176.39 1xss s ASP 124 N 1.10 0.17 0.01 6.13 1.01 -0.17 -1.16 116.67 123.76 1xss s ASP 124 Ca -0.08 0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.19 1xss s ASP 124 Cb -0.14 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.69 1xss s ASP 124 CO -0.01 -0.08 -0.04 -0.83 0.21 0.00 0.00 175.17 174.41 1xss s GLY 125 N 0.75 0.26 0.23 0.21 0.00 -0.26 0.33 107.32 108.84 1xss s GLY 125 Ca -0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 1xss s GLY 125 CO -0.02 -0.38 0.28 -1.34 0.00 0.00 0.00 173.10 171.64 1xss s VAL 126 N -0.63 0.00 -1.69 1.40 -7.23 -0.12 -0.43 120.40 111.70 1xss s VAL 126 Ca -0.04 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1xss s VAL 126 Cb -0.05 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.49 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 -0.42 -5.23 -4.67 4.85 5.03 -1.26 -1.66 115.26 111.89 1xss n ASN 127 Ca 0.01 0.16 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 1xss n ASN 127 Cb 0.64 -4.31 -0.03 0.00 -1.02 0.00 0.00 39.78 35.05 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 -2.81 3.41 0.35 3.10 0.08 -1.26 -3.24 117.98 117.61 1xss s PHE 128 Ca 0.00 1.33 -0.29 0.00 0.12 0.00 0.00 56.93 58.10 1xss s PHE 128 Cb 0.00 -3.09 -0.11 0.00 -0.57 0.00 0.00 43.02 39.25 1xss s PHE 128 CO 0.00 -0.30 1.51 -2.14 -0.10 0.00 0.00 175.22 174.19 1xss s PRO 129 N 2.38 4.12 0.41 0.24 0.02 -1.26 -4.89 135.00 136.02 1xss s PRO 129 Ca 0.40 2.57 0.11 0.00 0.02 0.00 0.00 61.00 64.10 1xss s PRO 129 Cb -0.16 -2.98 0.94 0.00 0.02 0.00 0.00 34.50 32.31 1xss s PRO 129 CO 0.12 -0.55 1.98 0.00 -0.33 0.00 0.00 177.00 178.21 1xss h ALA 130 N 3.48 1.91 -0.56 -1.55 0.00 -1.98 -0.34 119.26 120.22 1xss h ALA 130 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xss h ALA 130 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xss h ALA 130 CO 0.68 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.17 1xss n ASN 131 N -4.48 3.22 -4.89 0.00 2.04 -1.26 -4.39 115.26 105.51 1xss n ASN 131 Ca 0.10 -2.08 -0.30 0.00 -0.44 0.00 0.00 54.58 51.86 1xss n ASN 131 Cb 0.32 -0.41 0.06 0.00 -2.53 0.00 0.00 39.78 37.21 1xss n ASN 131 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1xss s GLY 132 N -0.96 1.62 0.60 4.83 0.00 -0.14 -4.87 107.32 108.40 1xss s GLY 132 Ca 0.39 -0.45 0.37 0.00 0.00 0.00 0.00 44.72 45.03 1xss s GLY 132 CO 0.24 -0.04 2.21 -0.56 0.00 0.00 0.00 173.10 174.95 1xss h PRO 133 N -0.77 0.00 0.01 2.90 0.13 -1.93 -1.35 132.00 130.99 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 0.64 0.03 -0.01 0.28 -0.23 0.00 0.00 178.00 178.71 1xss h VAL 134 N 0.00 1.43 0.00 1.56 2.07 -1.93 0.37 116.25 119.76 1xss h VAL 134 Ca -0.00 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 1xss h VAL 134 Cb 0.19 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1xss h VAL 134 CO 0.00 0.47 -0.16 0.24 0.02 0.00 0.00 177.57 178.14 1xss h MET 135 N -0.95 0.00 -0.07 1.57 2.86 -1.76 0.76 114.93 117.35 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 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1xss h MET 135 CO 0.00 0.16 0.00 1.04 1.06 0.00 0.00 176.91 179.17 1xss n GLN 136 N -3.27 2.07 -3.74 1.72 1.13 -0.52 -4.67 117.38 110.10 1xss n GLN 136 Ca 0.01 -1.56 -0.31 0.00 -1.94 0.00 0.00 57.00 53.20 1xss n GLN 136 Cb 0.43 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.35 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 0.87 -1.69 -0.46 -1.09 1.74 -0.81 -4.91 116.66 110.31 1xss n ARG 137 Ca 0.16 0.44 0.08 0.00 -0.77 0.00 0.00 57.85 57.77 1xss n ARG 137 Cb 0.49 -4.18 0.26 0.00 -1.02 0.00 0.00 32.46 28.02 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 -4.25 3.01 -3.19 5.56 5.02 0.06 -4.99 118.16 119.38 1xss n LYS 138 Ca -0.14 -2.84 -0.31 0.00 -2.02 0.00 0.00 58.31 53.00 1xss n LYS 138 Cb 0.61 -1.85 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1xss n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xss s THR 139 N -2.78 4.87 -0.17 -0.18 -4.23 -1.26 -0.62 115.64 111.28 1xss s THR 139 Ca 0.42 0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 61.37 1xss s THR 139 Cb 0.34 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.42 1xss s THR 139 CO 0.09 -0.28 -0.20 0.52 -0.54 0.00 0.00 174.62 174.22 1xss n VAL 140 N -0.70 0.92 -3.65 2.29 0.31 0.96 -4.72 118.33 113.73 1xss n VAL 140 Ca 0.01 -0.27 0.02 0.00 -0.01 0.00 0.00 64.34 64.09 1xss n VAL 140 Cb 0.53 -1.54 -0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 -2.31 0.37 0.08 5.55 -2.85 -1.23 -4.99 119.74 114.37 1xss s LYS 141 Ca -0.23 -0.21 -0.12 0.00 -1.00 0.00 0.00 55.97 54.41 1xss s LYS 141 Cb 0.08 0.12 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 1xss s LYS 141 CO 0.31 -0.17 0.44 -1.58 0.10 0.00 0.00 175.35 174.46 1xss s TRP 142 N -2.36 3.62 0.63 1.78 0.52 -1.26 -0.86 118.94 121.02 1xss s TRP 142 Ca 0.16 0.91 -0.09 0.00 0.02 0.00 0.00 56.10 57.09 1xss s TRP 142 Cb 0.05 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 1xss s TRP 142 CO -0.04 0.52 1.00 -1.21 0.02 0.00 0.00 176.95 177.24 1xss s GLU 143 N -1.74 3.13 1.07 4.98 0.41 -0.25 -4.79 118.70 121.51 1xss s GLU 143 Ca 0.32 0.39 -0.12 0.00 -0.41 0.00 0.00 54.97 55.16 1xss s GLU 143 Cb -0.15 -2.13 0.23 0.00 -1.78 0.00 0.00 34.13 30.30 1xss s GLU 143 CO 0.17 -0.75 1.07 -1.25 -0.49 0.00 0.00 175.26 174.01 1xss s PRO 144 N -5.16 -0.21 0.28 0.39 0.04 -1.26 -4.75 135.00 124.33 1xss s PRO 144 Ca 0.55 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1xss s PRO 144 Cb -0.11 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1xss s PRO 144 CO 0.50 -3.30 0.52 -1.54 0.04 0.00 0.00 177.00 173.21 1xss s SER 145 N -2.65 0.14 -0.19 6.66 1.04 -0.13 -4.91 113.70 113.66 1xss s SER 145 Ca 0.67 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1xss s SER 145 Cb -0.24 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.58 1xss s SER 145 CO 0.62 -1.24 0.01 -0.89 0.98 0.00 0.00 173.24 172.72 1xss s THR 146 N -3.62 0.73 -0.01 2.02 2.01 -1.26 -0.23 115.64 115.29 1xss s THR 146 Ca 0.23 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 1xss s THR 146 Cb -0.01 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1xss s THR 146 CO 0.12 -0.15 0.66 -0.70 -0.69 0.00 0.00 174.62 173.86 1xss s GLU 147 N 1.77 4.39 -0.30 4.92 2.12 0.45 -4.57 118.70 127.47 1xss s GLU 147 Ca -0.01 0.84 -0.15 0.00 0.36 0.00 0.00 54.97 56.00 1xss s GLU 147 Cb -0.17 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 1xss s GLU 147 CO -0.07 0.27 0.39 0.15 -0.54 0.00 0.00 175.26 175.45 1xss s LYS 148 N 0.11 3.83 -0.22 4.30 3.01 0.50 -1.14 119.74 130.13 1xss s LYS 148 Ca 0.34 -0.12 -0.09 0.00 -1.01 0.00 0.00 55.97 55.09 1xss s LYS 148 Cb -0.19 -3.72 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1xss s LYS 148 CO 0.19 -0.41 0.11 -1.64 0.51 0.00 0.00 175.35 174.11 1xss s MET 149 N 2.11 3.98 -0.06 1.68 -1.94 0.09 -1.12 119.30 124.03 1xss s MET 149 Ca 0.15 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.67 1xss s MET 149 Cb -0.16 -3.38 0.03 0.00 2.01 0.00 0.00 34.83 33.33 1xss s MET 149 CO 0.11 0.12 0.31 1.52 -0.01 0.00 0.00 175.02 177.07 1xss s TYR 150 N 0.84 -0.26 0.28 -0.03 1.13 -0.41 -1.52 117.35 117.38 1xss s TYR 150 Ca 0.06 0.54 -0.28 0.00 -1.41 0.00 0.00 57.07 55.97 1xss s TYR 150 Cb -0.13 0.10 -0.09 0.00 -1.10 0.00 0.00 41.96 40.74 1xss s TYR 150 CO 0.02 -0.29 0.94 0.08 -2.51 0.00 0.00 175.55 173.80 1xss s VAL 151 N -0.63 4.14 -0.16 -3.49 1.01 -1.26 -0.36 120.40 119.65 1xss s VAL 151 Ca -0.07 1.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.82 1xss s VAL 151 Cb -0.04 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1xss s VAL 151 CO 0.02 0.33 0.28 -0.60 0.00 0.00 0.00 175.10 175.13 1xss s ARG 152 N -1.60 0.18 -1.42 2.72 6.06 -0.09 -4.89 118.95 119.92 1xss s ARG 152 Ca 0.45 0.64 -0.05 0.00 -2.50 0.00 0.00 55.73 54.27 1xss s ARG 152 Cb -0.22 -0.28 0.04 0.00 0.06 0.00 0.00 34.95 34.54 1xss s ARG 152 CO 0.28 -0.39 0.73 -0.25 -2.50 0.00 0.00 175.30 173.17 1xss n ASP 153 N 5.35 -2.18 0.00 -2.12 8.00 -1.26 -2.09 116.55 122.24 1xss n ASP 153 Ca -0.06 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1xss n ASP 153 Cb 0.50 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 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 -1.68 2.08 3.67 0.44 0.00 -1.26 -5.00 105.19 103.44 1xss n GLY 154 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.32 1.32 -0.15 1.61 -7.23 -0.89 -5.01 120.40 106.73 1xss s VAL 155 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1xss s VAL 155 Cb 0.00 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1xss s VAL 155 CO 0.00 0.00 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.56 1xss s LEU 156 N -3.77 3.45 0.05 1.32 2.96 -1.04 -0.91 118.68 120.73 1xss s LEU 156 Ca 0.18 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1xss s LEU 156 Cb 0.04 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1xss s LEU 156 CO 0.09 0.21 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.78 1xss s LYS 157 N 0.11 2.62 -0.09 1.98 -0.14 0.51 0.32 119.74 125.05 1xss s LYS 157 Ca 0.01 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1xss s LYS 157 Cb -0.13 -2.57 0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1xss s LYS 157 CO 0.02 0.58 0.02 0.20 -0.76 0.00 0.00 175.35 175.40 1xss s GLY 158 N -1.94 0.46 -0.08 -3.33 0.00 -0.12 -1.29 107.32 101.03 1xss s GLY 158 Ca 0.22 -0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.82 1xss s GLY 158 CO 0.14 1.23 -0.18 0.99 0.00 0.00 0.00 173.10 175.28 1xss s ASP 159 N 1.99 3.62 -0.10 1.64 -0.00 -0.28 -0.71 116.67 122.85 1xss s ASP 159 Ca 0.04 -0.36 -0.07 0.00 -0.00 0.00 0.00 52.55 52.16 1xss s ASP 159 Cb -0.13 -1.07 0.03 0.00 -0.00 0.00 0.00 42.92 41.75 1xss s ASP 159 CO -0.05 0.25 0.25 0.54 -0.00 0.00 0.00 175.17 176.15 1xss s VAL 160 N -0.18 -0.02 -0.43 -1.27 0.11 -0.89 -0.37 120.40 117.34 1xss s VAL 160 Ca -0.01 0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 1xss s VAL 160 Cb -0.13 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1xss s VAL 160 CO 0.03 0.03 0.94 0.20 -3.33 0.00 0.00 175.10 172.97 1xss s ASN 161 N 0.62 6.56 0.22 3.54 0.02 -1.26 -1.30 114.94 123.34 1xss s ASN 161 Ca -0.04 0.29 0.07 0.00 -1.02 0.00 0.00 52.86 52.16 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 -0.04 -1.00 0.15 -0.04 0.02 0.00 0.00 177.10 176.19 1xss s MET 162 N 3.71 2.83 -0.14 -0.60 -1.94 0.50 -4.76 119.30 118.90 1xss s MET 162 Ca 0.38 -1.04 -0.08 0.00 -1.71 0.00 0.00 55.69 53.25 1xss s MET 162 Cb -0.10 -2.54 0.05 0.00 2.01 0.00 0.00 34.83 34.25 1xss s MET 162 CO 0.24 0.43 0.33 0.00 -0.01 0.00 0.00 175.02 176.01 1xss s ALA 163 N -2.01 -0.80 -0.23 3.03 0.00 -1.26 -1.30 121.76 119.18 1xss s ALA 163 Ca 0.32 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 1xss s ALA 163 Cb -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1xss s ALA 163 CO 0.24 -0.23 0.20 -0.51 0.00 0.00 0.00 175.76 175.46 1xss s LEU 164 N 1.25 4.13 0.15 0.00 1.43 0.19 -1.10 118.68 124.74 1xss s LEU 164 Ca -0.09 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1xss s LEU 164 Cb -0.09 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 1xss s LEU 164 CO -0.10 0.05 1.08 -0.22 0.23 0.00 0.00 176.35 177.40 1xss s LEU 165 N 1.04 4.47 0.17 1.79 2.96 -0.04 -0.71 118.68 128.36 1xss s LEU 165 Ca 0.10 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1xss s LEU 165 Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1xss s LEU 165 CO 0.05 -0.22 0.34 -0.76 -1.32 0.00 0.00 176.35 174.43 1xss s LEU 166 N -0.12 4.28 0.23 -0.68 1.43 -0.28 -0.03 118.68 123.52 1xss s LEU 166 Ca 0.50 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1xss s LEU 166 Cb -0.28 -3.06 0.23 0.00 0.03 0.00 0.00 46.19 43.11 1xss s LEU 166 CO 0.33 0.01 1.90 1.56 0.23 0.00 0.00 176.35 180.39 1xss h GLN 167 N 2.18 1.15 -0.44 1.70 4.20 -1.15 -1.19 115.11 121.55 1xss h GLN 167 Ca -0.48 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1xss h GLN 167 Cb 1.19 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1xss h GLN 167 CO 0.69 0.76 0.00 0.41 -0.67 0.00 0.00 178.83 180.02 1xss n GLY 168 N -1.34 0.35 0.00 3.46 0.00 -1.26 -4.98 105.19 101.41 1xss n GLY 168 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.41 -0.88 0.00 -0.02 0.00 -0.45 -5.10 105.19 99.15 1xss n GLY 169 Ca 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.50 -0.52 3.38 -0.02 0.00 -1.26 -4.55 105.19 101.72 1xss n GLY 170 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.69 1.96 -0.26 1.61 0.09 -1.26 -1.13 115.29 114.61 1xss s HIS 171 Ca 0.00 -0.46 0.02 0.00 -0.00 0.00 0.00 55.06 54.62 1xss s HIS 171 Cb 0.00 -0.91 0.07 0.00 -0.00 0.00 0.00 32.58 31.73 1xss s HIS 171 CO 0.00 0.46 -0.06 -0.47 -0.00 0.00 0.00 174.74 174.68 1xss s TYR 172 N -2.46 2.86 0.36 1.40 5.04 0.11 -4.94 117.35 119.73 1xss s TYR 172 Ca 0.22 -2.12 -0.22 0.00 -2.44 0.00 0.00 57.07 52.51 1xss s TYR 172 Cb -0.04 -1.88 -0.10 0.00 0.35 0.00 0.00 41.96 40.29 1xss s TYR 172 CO 0.09 -0.84 0.90 1.03 -1.34 0.00 0.00 175.55 175.40 1xss s ARG 173 N 1.24 4.34 -0.07 4.97 1.81 -1.26 -0.64 118.95 129.34 1xss s ARG 173 Ca -0.04 1.12 -0.05 0.00 -1.72 0.00 0.00 55.73 55.04 1xss s ARG 173 Cb -0.19 -2.50 0.03 0.00 -0.45 0.00 0.00 34.95 31.83 1xss s ARG 173 CO -0.07 0.14 0.17 0.00 -0.68 0.00 0.00 175.30 174.86 1xss s ASP 175 N 0.57 5.15 -0.13 0.00 -0.00 0.08 -0.37 116.67 121.96 1xss s ASP 175 Ca -0.04 -0.12 -0.09 0.00 -0.00 0.00 0.00 52.55 52.30 1xss s ASP 175 Cb -0.05 -1.89 -0.04 0.00 -0.00 0.00 0.00 42.92 40.93 1xss s ASP 175 CO -0.03 0.08 0.18 -0.36 -0.00 0.00 0.00 175.17 175.03 1xss s PHE 176 N 0.95 3.55 -0.27 4.23 0.40 -0.42 -1.30 117.98 125.12 1xss s PHE 176 Ca 0.03 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1xss s PHE 176 Cb -0.14 -2.06 0.09 0.00 0.51 0.00 0.00 43.02 41.41 1xss s PHE 176 CO 0.02 0.57 0.08 1.03 0.70 0.00 0.00 175.22 177.63 1xss s ARG 177 N -0.55 0.64 0.04 0.44 1.81 -0.50 -2.10 118.95 118.73 1xss s ARG 177 Ca 0.14 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.40 1xss s ARG 177 Cb -0.12 -1.91 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 1xss s ARG 177 CO 0.03 -0.88 -0.09 0.99 -0.68 0.00 0.00 175.30 174.67 1xss s THR 178 N 1.75 3.45 -0.13 0.02 2.01 0.12 -1.36 115.64 121.50 1xss s THR 178 Ca 0.06 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1xss s THR 178 Cb -0.17 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1xss s THR 178 CO -0.22 0.30 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.97 1xss s THR 179 N -1.06 1.55 -0.18 -0.82 2.01 0.24 -0.95 115.64 116.44 1xss s THR 179 Ca 0.18 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1xss s THR 179 Cb -0.11 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1xss s THR 179 CO 0.09 0.45 0.07 -0.31 -0.69 0.00 0.00 174.62 174.24 1xss s TYR 180 N 1.22 3.29 -0.27 4.92 2.02 0.15 -1.29 117.35 127.39 1xss s TYR 180 Ca -0.01 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1xss s TYR 180 Cb -0.14 -2.06 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 1xss s TYR 180 CO -0.06 0.22 0.03 0.15 -1.57 0.00 0.00 175.55 174.33 1xss s LYS 181 N 0.21 1.09 0.34 -0.62 1.02 0.46 -2.51 119.74 119.73 1xss s LYS 181 Ca 0.05 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 1xss s LYS 181 Cb -0.12 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.72 1xss s LYS 181 CO 0.00 -0.80 1.32 0.00 -0.92 0.00 0.00 175.35 174.95 1xss s ALA 182 N 1.49 3.49 -2.00 5.17 0.00 -1.26 -1.50 121.76 127.15 1xss s ALA 182 Ca 0.03 1.28 0.21 0.00 0.00 0.00 0.00 51.96 53.48 1xss s ALA 182 Cb -0.18 -3.49 1.23 0.00 0.00 0.00 0.00 23.12 20.68 1xss s ALA 182 CO -0.14 -0.68 1.76 1.63 0.00 0.00 0.00 175.76 178.34 1xss n LYS 183 N 0.74 0.96 -3.74 0.00 5.02 -0.04 -4.80 118.16 116.30 1xss n LYS 183 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1xss n LYS 183 Cb 0.42 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.00 1.21 0.03 1.97 -2.85 -1.26 -4.98 119.74 111.87 1xss s LYS 184 Ca 0.31 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 1xss s LYS 184 Cb 0.14 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.31 1xss s LYS 184 CO 0.24 -0.49 1.56 0.08 0.10 0.00 0.00 175.35 176.84 1xss s VAL 185 N -3.86 3.33 0.17 1.79 1.01 -1.26 -4.97 120.40 116.60 1xss s VAL 185 Ca 0.08 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1xss s VAL 185 Cb 0.01 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1xss s VAL 185 CO -0.06 -0.01 0.00 0.68 0.00 0.00 0.00 175.10 175.72 1xss s VAL 186 N 2.70 0.62 0.29 2.92 -7.23 -1.26 -5.02 120.40 113.43 1xss s VAL 186 Ca 0.70 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 1xss s VAL 186 Cb -0.36 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 1xss s VAL 186 CO 0.30 -0.49 1.28 -1.10 -0.31 0.00 0.00 175.10 174.77 1xss s GLN 187 N -3.92 4.41 -0.06 4.82 -1.52 -1.26 -5.00 119.66 117.12 1xss s GLN 187 Ca 0.23 2.12 -0.15 0.00 -1.95 0.00 0.00 55.36 55.61 1xss s GLN 187 Cb 0.06 -3.12 -0.05 0.00 -0.22 0.00 0.00 33.01 29.69 1xss s GLN 187 CO 0.03 -0.14 0.40 -0.51 -0.25 0.00 0.00 175.29 174.82 1xss s LEU 188 N -1.34 4.38 0.61 2.90 1.43 -1.26 -4.60 118.68 120.79 1xss s LEU 188 Ca 0.50 0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1xss s LEU 188 Cb -0.38 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1xss s LEU 188 CO 0.48 0.20 0.96 -2.16 0.23 0.00 0.00 176.35 176.05 1xss s PRO 189 N -0.32 3.14 0.71 1.29 0.04 -1.26 -4.96 135.00 133.64 1xss s PRO 189 Ca 0.23 0.30 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 1xss s PRO 189 Cb -0.15 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1xss s PRO 189 CO 0.11 -0.68 1.02 -0.51 0.04 0.00 0.00 177.00 176.98 1xss s ASP 190 N -4.26 4.69 0.15 6.66 1.01 -1.26 -4.57 116.67 119.09 1xss s ASP 190 Ca 0.54 0.35 -0.34 0.00 0.71 0.00 0.00 52.55 53.81 1xss s ASP 190 Cb -0.11 -0.95 -0.14 0.00 1.01 0.00 0.00 42.92 42.73 1xss s ASP 190 CO 0.49 -1.67 1.54 0.00 0.21 0.00 0.00 175.17 175.73 1xss n TYR 191 N -2.94 2.17 -3.43 4.23 9.36 -1.26 -4.85 117.16 120.44 1xss n TYR 191 Ca 0.09 0.33 -0.02 0.00 3.32 0.00 0.00 57.90 61.61 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 3.23 -0.91 -4.20 2.98 1.44 -0.58 -4.97 115.22 112.22 1xss n HIS 192 Ca 0.17 -0.39 -0.14 0.00 -2.01 0.00 0.00 57.72 55.35 1xss n HIS 192 Cb 0.27 0.13 -0.10 0.00 0.12 0.00 0.00 29.99 30.41 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 -6.05 1.12 -0.14 -1.40 0.08 -0.32 -0.73 117.98 110.54 1xss s PHE 193 Ca 0.04 -0.74 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 1xss s PHE 193 Cb -0.01 -0.60 0.05 0.00 -0.57 0.00 0.00 43.02 41.89 1xss s PHE 193 CO 0.03 0.01 0.03 0.08 -0.10 0.00 0.00 175.22 175.28 1xss s VAL 194 N -2.97 0.34 0.22 -0.44 1.01 -0.30 -1.04 120.40 117.23 1xss s VAL 194 Ca 0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1xss s VAL 194 Cb 0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 1xss s VAL 194 CO -0.01 -0.04 0.85 -1.81 0.00 0.00 0.00 175.10 174.09 1xss s ASP 195 N 1.96 7.41 0.11 3.32 1.01 0.52 -0.41 116.67 130.60 1xss s ASP 195 Ca 0.02 1.74 0.04 0.00 0.71 0.00 0.00 52.55 55.06 1xss s ASP 195 Cb -0.15 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 1xss s ASP 195 CO -0.07 0.13 -0.10 -1.00 0.21 0.00 0.00 175.17 174.33 1xss s HIS 196 N -1.29 1.14 -0.28 4.23 3.76 0.69 -1.52 115.29 122.02 1xss s HIS 196 Ca 0.41 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1xss s HIS 196 Cb -0.22 -0.61 0.17 0.00 1.11 0.00 0.00 32.58 33.02 1xss s HIS 196 CO 0.27 0.03 0.47 0.50 -0.85 0.00 0.00 174.74 175.16 1xss s ARG 197 N -3.14 0.46 -0.04 1.40 3.52 -0.48 -0.95 118.95 119.71 1xss s ARG 197 Ca 0.10 0.46 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1xss s ARG 197 Cb -0.01 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1xss s ARG 197 CO 0.00 -0.88 -0.03 -1.50 -0.81 0.00 0.00 175.30 172.09 1xss s ILE 198 N 2.66 4.00 -0.05 4.11 2.07 -1.26 -1.62 121.20 131.10 1xss s ILE 198 Ca 0.12 -0.50 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 1xss s ILE 198 Cb -0.13 -2.71 0.02 0.00 0.13 0.00 0.00 42.46 39.77 1xss s ILE 198 CO -0.24 0.50 0.21 -1.61 -1.91 0.00 0.00 174.94 171.89 1xss s GLU 199 N -1.15 0.39 -0.38 3.50 2.02 0.31 -4.61 118.70 118.78 1xss s GLU 199 Ca 0.15 0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.96 1xss s GLU 199 Cb -0.11 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.30 1xss s GLU 199 CO 0.05 -0.08 0.62 0.42 0.02 0.00 0.00 175.26 176.29 1xss s ILE 200 N -0.55 4.89 -0.62 -1.63 1.01 -1.26 -1.06 121.20 121.98 1xss s ILE 200 Ca -0.06 0.40 0.24 0.00 0.00 0.00 0.00 60.65 61.23 1xss s ILE 200 Cb -0.04 -4.10 0.09 0.00 0.01 0.00 0.00 42.46 38.42 1xss s ILE 200 CO 0.01 -0.39 1.37 0.71 0.00 0.00 0.00 174.94 176.65 1xss h THR 201 N 5.73 0.00 -1.61 2.92 1.35 -1.38 -3.48 112.91 116.44 1xss h THR 201 Ca -0.26 -0.55 0.07 0.00 -0.55 0.00 0.00 66.41 65.12 1xss h THR 201 Cb 1.11 1.20 -0.23 0.00 -1.73 0.00 0.00 68.15 68.50 1xss h THR 201 CO 0.84 0.00 0.51 -0.55 -0.25 0.00 0.00 175.52 176.07 1xss s SER 202 N -4.43 -0.40 -0.07 5.36 0.15 -1.21 -4.98 113.70 108.12 1xss s SER 202 Ca 0.06 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 1xss s SER 202 Cb 0.13 0.33 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 1xss s SER 202 CO 0.71 -0.37 0.89 -1.38 1.20 0.00 0.00 173.24 174.29 1xss s HIS 203 N -1.11 -0.42 0.71 3.44 -0.00 -1.26 -0.03 115.29 116.63 1xss s HIS 203 Ca -0.03 0.55 -0.03 0.00 -0.00 0.00 0.00 55.06 55.56 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 -0.48 0.99 0.16 -0.00 0.00 0.00 174.74 175.43 1xss s ASP 204 N -1.68 4.48 0.22 7.38 -4.77 -0.79 -4.93 116.67 116.58 1xss s ASP 204 Ca -0.01 -0.10 -0.18 0.00 -3.30 0.00 0.00 52.55 48.96 1xss s ASP 204 Cb -0.01 -0.39 0.22 0.00 -1.09 0.00 0.00 42.92 41.65 1xss s ASP 204 CO -0.01 -1.77 1.57 0.50 0.70 0.00 0.00 175.17 176.16 1xss h LYS 205 N -0.53 -0.06 -0.65 2.11 3.64 -2.02 -1.41 116.57 117.65 1xss h LYS 205 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 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 0.46 -0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 177.35 1xss n ASP 206 N -5.47 4.64 -3.16 4.20 8.00 -1.26 -4.94 116.55 118.56 1xss n ASP 206 Ca 0.08 -2.47 -0.23 0.00 0.71 0.00 0.00 54.79 52.88 1xss n ASP 206 Cb 0.39 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 1.02 -2.04 0.19 1.24 4.02 -0.53 -4.37 117.16 116.68 1xss n TYR 207 Ca 0.25 0.57 0.10 0.00 -0.01 0.00 0.00 57.90 58.81 1xss n TYR 207 Cb 0.88 -4.30 0.13 0.00 -0.02 0.00 0.00 39.34 36.03 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 -1.47 0.00 -3.23 7.72 2.35 -1.92 -3.43 115.58 115.60 1xss h ASN 208 Ca -0.52 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.69 1xss h ASN 208 Cb 1.36 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.37 1xss h ASN 208 CO 0.57 0.11 -0.81 -0.54 -1.65 0.00 0.00 177.43 175.10 1xss s LYS 209 N -3.17 1.71 -0.01 0.81 -0.14 -1.26 -0.60 119.74 117.07 1xss s LYS 209 Ca 0.06 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1xss s LYS 209 Cb 0.06 -1.63 0.01 0.00 -1.68 0.00 0.00 37.83 34.58 1xss s LYS 209 CO 0.70 -0.18 -0.03 0.08 -0.76 0.00 0.00 175.35 175.15 1xss s VAL 210 N 1.39 0.33 -0.14 3.17 1.01 -0.66 -1.88 120.40 123.62 1xss s VAL 210 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1xss s VAL 210 Cb -0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1xss s VAL 210 CO -0.05 0.12 -0.03 -0.75 0.00 0.00 0.00 175.10 174.39 1xss s LYS 211 N 0.25 3.54 0.10 2.72 2.20 0.96 0.42 119.74 129.93 1xss s LYS 211 Ca -0.02 -0.49 0.09 0.00 -0.36 0.00 0.00 55.97 55.18 1xss s LYS 211 Cb -0.06 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1xss s LYS 211 CO -0.00 0.34 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.94 1xss s LEU 212 N 0.10 2.29 -0.01 5.43 2.96 0.15 -0.95 118.68 128.65 1xss s LEU 212 Ca 0.00 -0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 1xss s LEU 212 Cb -0.13 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1xss s LEU 212 CO 0.02 0.09 0.03 -0.47 -1.32 0.00 0.00 176.35 174.71 1xss s TYR 213 N -1.10 -0.00 -0.06 5.38 5.04 -0.22 -1.82 117.35 124.57 1xss s TYR 213 Ca 0.08 0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.68 1xss s TYR 213 Cb -0.10 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.22 1xss s TYR 213 CO 0.04 -0.04 0.15 -2.00 -1.34 0.00 0.00 175.55 172.36 1xss s GLU 214 N -0.17 0.17 -0.07 4.97 2.12 -0.88 -0.53 118.70 124.30 1xss s GLU 214 Ca -0.02 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.55 1xss s GLU 214 Cb -0.01 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.46 1xss s GLU 214 CO -0.00 -0.02 -0.17 -1.58 -0.54 0.00 0.00 175.26 172.95 1xss s HIS 215 N 0.11 1.85 -0.06 5.30 5.65 -0.64 -1.98 115.29 125.51 1xss s HIS 215 Ca -0.00 -0.68 -0.06 0.00 0.25 0.00 0.00 55.06 54.56 1xss s HIS 215 Cb -0.01 -1.29 0.02 0.00 -1.18 0.00 0.00 32.58 30.12 1xss s HIS 215 CO 0.00 -0.30 0.18 0.00 -0.65 0.00 0.00 174.74 173.97 1xss s ALA 216 N 0.44 -0.43 -0.05 1.58 0.00 0.40 -1.38 121.76 122.31 1xss s ALA 216 Ca -0.14 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1xss s ALA 216 Cb -0.16 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1xss s ALA 216 CO 0.05 -0.09 0.11 0.21 0.00 0.00 0.00 175.76 176.04 1xss s LYS 217 N 0.01 0.09 0.31 0.00 2.20 -0.57 -1.60 119.74 120.19 1xss s LYS 217 Ca -0.01 0.24 -0.06 0.00 -0.36 0.00 0.00 55.97 55.78 1xss s LYS 217 Cb -0.02 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.18 1xss s LYS 217 CO 0.00 -0.09 0.60 0.00 -0.36 0.00 0.00 175.35 175.50 1xss s ALA 218 N 0.61 3.57 0.28 3.13 0.00 -0.38 -0.35 121.76 128.62 1xss s ALA 218 Ca -0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1xss s ALA 218 Cb -0.06 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.71 1xss s ALA 218 CO -0.03 0.19 0.75 -3.38 0.00 0.00 0.00 175.76 173.29 1xss s HIS 219 N -2.15 -0.14 -0.48 0.00 -3.43 -0.21 -4.47 115.29 104.41 1xss s HIS 219 Ca 0.45 -0.34 0.16 0.00 -0.80 0.00 0.00 55.06 54.53 1xss s HIS 219 Cb -0.11 0.72 0.68 0.00 -1.43 0.00 0.00 32.58 32.44 1xss s HIS 219 CO 0.30 -1.25 1.59 -1.13 -2.00 0.00 0.00 174.74 172.25 1xss n SER 220 N -0.60 4.76 0.00 7.38 3.41 -1.26 -1.17 113.62 126.13 1xss n SER 220 Ca -0.05 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 1xss n SER 220 Cb 0.59 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1xss n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xss n GLY 221 N 0.39 -0.45 3.73 5.00 0.00 -1.26 -4.92 105.19 107.69 1xss n GLY 221 Ca 0.24 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.72 4.37 0.68 0.99 2.96 -1.26 -4.97 118.68 119.74 1xss s LEU 222 Ca 0.00 2.71 -0.16 0.00 -0.22 0.00 0.00 54.13 56.46 1xss s LEU 222 Cb 0.00 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.09 1xss s LEU 222 CO 0.00 -0.80 1.21 -2.84 -1.32 0.00 0.00 176.35 172.59 1xss s PRO 223 N 0.25 2.42 0.40 0.98 0.02 -1.26 -4.90 135.00 132.92 1xss s PRO 223 Ca 0.65 1.78 0.20 0.00 0.02 0.00 0.00 61.00 63.65 1xss s PRO 223 Cb -0.44 -1.87 0.80 0.00 0.02 0.00 0.00 34.50 33.01 1xss s PRO 223 CO 0.39 -1.62 1.79 0.07 -0.33 0.00 0.00 177.00 177.30 1xss h ARG 224 N 0.09 0.00 -5.61 5.54 0.11 -2.00 -3.42 114.38 109.09 1xss h ARG 224 Ca -0.49 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.01 1xss h ARG 224 Cb 1.30 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.29 1xss h ARG 224 CO 0.52 0.32 -0.22 -0.51 0.10 0.00 0.00 179.97 180.18 1xss s LEU 225 N -7.12 4.26 0.00 0.08 1.43 -1.26 -5.34 118.68 110.72 1xss s LEU 225 Ca -0.00 0.66 0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1xss s LEU 225 Cb 0.11 -2.54 0.67 0.00 0.03 0.00 0.00 46.19 44.45 1xss s LEU 225 CO 0.67 0.04 1.10 0.00 0.23 0.00 0.00 176.35 178.39