#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s58 h PRO 20 N 0.00 -0.01 -5.45 1.20 0.11 -2.13 -3.44 132.00 122.27 1s58 h PRO 20 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 1s58 h PRO 20 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1s58 h PRO 20 CO 0.00 0.17 1.60 0.28 -0.21 0.00 0.00 178.00 179.84 1s58 n VAL 21 N -5.01 0.01 -3.34 3.15 0.31 -1.26 -4.88 118.33 107.31 1s58 n VAL 21 Ca -0.08 -0.15 -0.45 0.00 -0.01 0.00 0.00 64.34 63.65 1s58 n VAL 21 Cb 0.12 -1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 31.98 1s58 n VAL 21 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1s58 s LYS 22 N 7.85 3.00 0.08 5.55 2.20 -1.26 -5.06 119.74 132.11 1s58 s LYS 22 Ca 1.23 -1.33 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1s58 s LYS 22 Cb -1.10 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 31.02 1s58 s LYS 22 CO 0.49 -1.11 0.40 -1.54 -0.36 0.00 0.00 175.35 173.23 1s58 s SER 23 N 2.76 6.63 0.09 1.43 1.04 -1.26 -5.08 113.70 119.31 1s58 s SER 23 Ca 0.06 0.78 -0.27 0.00 0.48 0.00 0.00 55.95 57.00 1s58 s SER 23 Cb -0.24 -2.17 0.09 0.00 0.10 0.00 0.00 66.02 63.79 1s58 s SER 23 CO 0.07 0.17 1.10 0.00 0.98 0.00 0.00 173.24 175.56 1s58 s MET 24 N -1.94 0.88 0.39 4.02 0.00 -1.26 -5.12 119.30 116.27 1s58 s MET 24 Ca 0.33 -0.50 -0.27 0.00 0.00 0.00 0.00 55.69 55.25 1s58 s MET 24 Cb -0.14 0.29 -0.10 0.00 0.00 0.00 0.00 34.83 34.88 1s58 s MET 24 CO 0.18 -0.41 1.43 -0.46 0.00 0.00 0.00 175.02 175.77 1s58 s TRP 25 N -2.81 2.64 -0.33 3.16 -0.11 -1.26 -4.98 118.94 115.25 1s58 s TRP 25 Ca 0.14 1.25 -0.01 0.00 1.22 0.00 0.00 56.10 58.70 1s58 s TRP 25 Cb 0.01 -3.92 0.11 0.00 -1.50 0.00 0.00 33.47 28.17 1s58 s TRP 25 CO 0.00 -2.74 0.14 -1.12 -4.62 0.00 0.00 176.95 168.61 1s58 s SER 26 N -0.32 3.75 -0.06 5.86 0.01 -1.26 -5.09 113.70 116.57 1s58 s SER 26 Ca 0.54 -1.80 -0.29 0.00 1.31 0.00 0.00 55.95 55.71 1s58 s SER 26 Cb -0.44 -0.74 0.11 0.00 0.21 0.00 0.00 66.02 65.16 1s58 s SER 26 CO 0.59 -0.38 0.91 -0.70 0.41 0.00 0.00 173.24 174.07 1s58 s GLU 27 N 1.43 0.75 0.00 12.44 2.12 -1.25 -2.83 118.70 131.36 1s58 s GLU 27 Ca 0.12 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1s58 s GLU 27 Cb -0.19 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1s58 s GLU 27 CO -0.20 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1s58 n GLY 28 N 0.17 0.78 3.63 -1.50 0.00 0.22 -4.94 105.19 103.56 1s58 n GLY 28 Ca -0.10 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1s58 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s58 s ALA 29 N -1.00 -2.11 -0.04 4.61 0.00 -1.26 -1.65 121.76 120.31 1s58 s ALA 29 Ca 0.00 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1s58 s ALA 29 Cb 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1s58 s ALA 29 CO 0.00 -0.19 -0.03 0.95 0.00 0.00 0.00 175.76 176.48 1s58 s THR 30 N -0.46 0.47 0.43 0.00 -4.23 -0.54 -4.97 115.64 106.35 1s58 s THR 30 Ca 0.06 -0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.39 1s58 s THR 30 Cb -0.03 -0.52 -0.06 0.00 1.34 0.00 0.00 72.50 73.23 1s58 s THR 30 CO -0.09 0.22 0.80 -0.36 -0.54 0.00 0.00 174.62 174.64 1s58 s PHE 31 N 1.00 3.49 -0.28 3.99 0.40 -1.26 -2.19 117.98 123.13 1s58 s PHE 31 Ca -0.10 1.07 -0.10 0.00 -0.60 0.00 0.00 56.93 57.20 1s58 s PHE 31 Cb -0.14 -2.47 0.12 0.00 0.51 0.00 0.00 43.02 41.04 1s58 s PHE 31 CO -0.01 -0.17 0.61 -1.54 0.70 0.00 0.00 175.22 174.81 1s58 s SER 32 N -3.30 -0.99 0.00 1.36 1.04 -0.35 -4.99 113.70 106.47 1s58 s SER 32 Ca 0.52 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1s58 s SER 32 Cb -0.10 2.11 0.00 0.00 0.10 0.00 0.00 66.02 68.13 1s58 s SER 32 CO 0.34 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.34 1s58 n ALA 33 N 5.40 0.00 -0.34 5.32 0.00 -1.26 0.15 120.51 129.78 1s58 n ALA 33 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1s58 n ALA 33 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1s58 n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s58 n ASN 34 N -0.62 1.09 0.00 0.00 4.13 -1.26 -4.86 115.26 113.74 1s58 n ASN 34 Ca 0.00 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 54.83 1s58 n ASN 34 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1s58 n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s58 n SER 35 N -0.21 0.00 -3.69 6.41 3.41 0.39 -2.85 113.62 117.07 1s58 n SER 35 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1s58 n SER 35 Cb 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1s58 n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s58 s VAL 36 N -2.00 0.08 -0.23 -3.33 0.11 -0.91 -1.21 120.40 112.92 1s58 s VAL 36 Ca 0.00 -0.66 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1s58 s VAL 36 Cb 0.00 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1s58 s VAL 36 CO 0.00 -0.36 -0.03 0.42 -3.33 0.00 0.00 175.10 171.79 1s58 s THR 37 N -3.32 3.40 0.09 5.04 -4.23 -0.93 -1.78 115.64 113.91 1s58 s THR 37 Ca 0.00 -0.52 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1s58 s THR 37 Cb 0.01 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1s58 s THR 37 CO -0.08 0.39 0.00 0.00 -0.54 0.00 0.00 174.62 174.39 1s58 s THR 39 N -1.32 -0.05 0.40 0.00 -1.32 -0.66 0.17 115.64 112.86 1s58 s THR 39 Ca 0.26 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.78 1s58 s THR 39 Cb -0.12 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1s58 s THR 39 CO 0.18 0.00 0.14 0.72 -2.21 0.00 0.00 174.62 173.46 1s58 s PHE 40 N 1.38 1.78 0.03 9.09 -0.12 -0.75 0.71 117.98 130.11 1s58 s PHE 40 Ca -0.08 -1.32 -0.13 0.00 -0.05 0.00 0.00 56.93 55.36 1s58 s PHE 40 Cb -0.03 -1.11 0.02 0.00 -0.63 0.00 0.00 43.02 41.27 1s58 s PHE 40 CO -0.14 -0.36 0.28 -1.54 -0.05 0.00 0.00 175.22 173.42 1s58 s SER 41 N -3.58 -0.10 -0.28 1.98 1.04 -1.13 -2.02 113.70 109.61 1s58 s SER 41 Ca 0.26 -0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.36 1s58 s SER 41 Cb 0.03 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.57 1s58 s SER 41 CO 0.16 -0.56 0.75 -0.13 0.98 0.00 0.00 173.24 174.44 1s58 s ARG 42 N -2.26 0.62 1.39 4.02 1.81 -0.84 -4.79 118.95 118.90 1s58 s ARG 42 Ca -0.07 1.12 -0.23 0.00 -1.72 0.00 0.00 55.73 54.82 1s58 s ARG 42 Cb -0.02 0.18 0.36 0.00 -0.45 0.00 0.00 34.95 35.02 1s58 s ARG 42 CO -0.02 -0.14 0.82 1.04 -0.68 0.00 0.00 175.30 176.32 1s58 n GLN 43 N 4.28 -4.74 -3.56 3.54 3.00 -1.26 -2.42 117.38 116.22 1s58 n GLN 43 Ca -0.19 -1.38 -0.08 0.00 -0.01 0.00 0.00 57.00 55.35 1s58 n GLN 43 Cb 0.58 -1.79 -0.02 0.00 0.00 0.00 0.00 30.24 29.01 1s58 n GLN 43 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1s58 s PHE 44 N -2.04 -0.31 -0.19 1.08 -0.12 0.27 -2.83 117.98 113.84 1s58 s PHE 44 Ca 0.63 0.12 -0.04 0.00 -0.05 0.00 0.00 56.93 57.59 1s58 s PHE 44 Cb -0.11 0.57 0.06 0.00 -0.63 0.00 0.00 43.02 42.91 1s58 s PHE 44 CO 0.53 -0.66 0.07 -1.17 -0.05 0.00 0.00 175.22 173.94 1s58 s LEU 45 N -2.63 0.69 0.14 -1.99 2.96 -0.09 -1.51 118.68 116.26 1s58 s LEU 45 Ca 0.06 -0.75 -0.31 0.00 -0.22 0.00 0.00 54.13 52.91 1s58 s LEU 45 Cb -0.01 -0.39 -0.10 0.00 0.50 0.00 0.00 46.19 46.20 1s58 s LEU 45 CO -0.06 -0.34 1.60 -0.51 -1.32 0.00 0.00 176.35 175.71 1s58 s ILE 46 N 2.03 2.71 0.00 6.68 1.10 0.25 -4.68 121.20 129.28 1s58 s ILE 46 Ca 0.02 0.44 0.00 0.00 -0.51 0.00 0.00 60.65 60.59 1s58 s ILE 46 Cb -0.16 -3.28 0.00 0.00 0.15 0.00 0.00 42.46 39.16 1s58 s ILE 46 CO -0.11 0.02 0.00 -2.65 -2.11 0.00 0.00 174.94 170.10 1s58 n PRO 47 N 4.42 0.00 0.00 3.50 -0.02 -1.26 -2.93 135.00 138.71 1s58 n PRO 47 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1s58 n PRO 47 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 1s58 n PRO 47 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1s58 n TYR 48 N 0.00 0.00 -0.01 6.00 9.36 -1.26 -4.38 117.16 126.87 1s58 n TYR 48 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1s58 n TYR 48 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1s58 n TYR 48 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1s58 n ASP 49 N -0.21 0.00 -0.31 2.98 4.64 -1.26 -4.70 116.55 117.69 1s58 n ASP 49 Ca 0.00 0.00 0.25 0.00 -1.38 0.00 0.00 54.79 53.66 1s58 n ASP 49 Cb 0.00 0.00 0.55 0.00 -1.04 0.00 0.00 41.12 40.63 1s58 n ASP 49 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1s58 h PRO 50 N 1.80 0.31 0.00 -0.67 0.11 -2.00 -3.41 132.00 128.14 1s58 h PRO 50 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1s58 h PRO 50 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1s58 h PRO 50 CO 0.00 0.21 0.00 -1.91 -0.21 0.00 0.00 178.00 176.09 1s58 n GLU 51 N -4.55 3.99 0.00 1.05 2.13 -1.26 -4.65 120.64 117.35 1s58 n GLU 51 Ca 0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1s58 n GLU 51 Cb 0.93 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.64 1s58 n GLU 51 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1s58 n HIS 52 N 0.00 0.00 -1.92 4.31 1.44 -1.26 -4.98 115.22 112.81 1s58 n HIS 52 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1s58 n HIS 52 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1s58 n HIS 52 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1s58 n HIS 53 N 0.00 0.00 -0.31 -1.40 -0.00 -1.26 -4.93 115.22 107.32 1s58 n HIS 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1s58 n HIS 53 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1s58 n HIS 53 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1s58 n TYR 54 N 0.00 0.00 -0.82 1.57 4.02 -1.19 -4.18 117.16 116.56 1s58 n TYR 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1s58 n TYR 54 Cb 0.50 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 1s58 n TYR 54 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1s58 n LYS 55 N -2.00 -0.86 0.00 -0.72 4.76 -1.26 0.11 118.16 118.19 1s58 n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1s58 n LYS 55 Cb 0.00 -2.89 0.00 0.00 -1.84 0.00 0.00 35.03 30.30 1s58 n LYS 55 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1s58 n VAL 56 N -0.80 0.00 0.00 -0.18 3.14 -1.26 -4.79 118.33 114.43 1s58 n VAL 56 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1s58 n VAL 56 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1s58 n VAL 56 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1s58 n PHE 57 N -0.01 0.00 0.00 1.45 7.35 -0.67 -4.19 117.46 121.38 1s58 n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s58 n PHE 57 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1s58 n PHE 57 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1s58 n SER 58 N 0.00 0.00 0.29 -2.13 3.41 -1.26 -3.21 113.62 110.72 1s58 n SER 58 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1s58 n SER 58 Cb 0.00 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 1s58 n SER 58 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1s58 h PRO 59 N 0.00 0.00 -4.40 4.33 0.11 -1.87 -3.44 132.00 126.72 1s58 h PRO 59 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 1s58 h PRO 59 Cb 0.00 0.00 0.12 0.00 0.11 0.00 0.00 31.00 31.23 1s58 h PRO 59 CO 0.00 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 177.29 1s58 n ALA 60 N -1.89 -1.61 -1.76 -0.75 0.00 -1.26 -4.68 120.51 108.55 1s58 n ALA 60 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s58 n ALA 60 Cb 0.52 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1s58 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s58 n ALA 61 N -2.55 -2.33 1.98 0.00 0.00 -1.16 -4.58 120.51 111.88 1s58 n ALA 61 Ca -0.06 0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1s58 n ALA 61 Cb 0.57 -1.09 0.78 0.00 0.00 0.00 0.00 19.45 19.71 1s58 n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s58 n SER 62 N 1.30 0.00 -1.61 0.00 3.41 -1.26 -4.35 113.62 111.10 1s58 n SER 62 Ca 0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1s58 n SER 62 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s58 n SER 62 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1s58 n SER 63 N -0.91 0.00 -1.46 4.04 2.88 -1.26 -4.60 113.62 112.31 1s58 n SER 63 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1s58 n SER 63 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1s58 n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s58 n HIS 65 N 1.37 0.00 0.00 0.00 -0.00 -1.26 -4.68 115.22 110.65 1s58 n HIS 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1s58 n HIS 65 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 1s58 n HIS 65 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1s58 n ASN 66 N 2.52 0.00 -3.19 0.41 0.23 -1.26 -1.92 115.26 112.05 1s58 n ASN 66 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.86 1s58 n ASN 66 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1s58 n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s58 s ALA 67 N -2.49 0.07 0.00 -2.53 0.00 -1.26 -4.76 121.76 110.79 1s58 s ALA 67 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1s58 s ALA 67 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1s58 s ALA 67 CO 0.00 -2.08 0.00 0.43 0.00 0.00 0.00 175.76 174.11 1s58 n SER 68 N 3.03 0.00 0.00 0.00 7.64 -1.26 -5.10 113.62 117.93 1s58 n SER 68 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1s58 n SER 68 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1s58 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s58 n GLY 69 N 4.07 2.08 0.00 0.23 0.00 -1.26 -5.11 105.19 105.20 1s58 n GLY 69 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1s58 n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s58 n LYS 70 N 0.00 0.00 0.00 1.61 4.81 -1.26 -5.16 118.16 118.16 1s58 n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1s58 n LYS 70 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1s58 n LYS 70 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1s58 n GLU 71 N -1.01 0.43 -0.10 1.64 1.02 -1.26 -5.09 120.64 116.27 1s58 n GLU 71 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1s58 n GLU 71 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1s58 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s58 n ALA 72 N -3.00 2.15 0.00 0.62 0.00 -1.26 -4.52 120.51 114.51 1s58 n ALA 72 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1s58 n ALA 72 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1s58 n ALA 72 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s58 n LYS 73 N -0.19 3.56 -0.29 0.00 -0.00 -1.26 -4.73 118.16 115.26 1s58 n LYS 73 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1s58 n LYS 73 Cb 0.39 -0.68 0.00 0.00 -0.00 0.00 0.00 35.03 34.74 1s58 n LYS 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1s58 n VAL 74 N -1.09 1.47 0.19 0.58 0.31 -1.26 -3.59 118.33 114.94 1s58 n VAL 74 Ca 0.00 -0.29 0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1s58 n VAL 74 Cb 0.00 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1s58 n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s58 n THR 76 N -2.35 -0.79 -1.81 0.00 5.66 -1.24 -4.47 114.28 109.29 1s58 n THR 76 Ca -0.01 0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.67 1s58 n THR 76 Cb 0.53 -0.94 -0.01 0.00 -1.55 0.00 0.00 70.33 68.36 1s58 n THR 76 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1s58 n ILE 77 N 0.44 3.36 -1.47 1.09 2.08 -1.26 -4.42 119.36 119.18 1s58 n ILE 77 Ca -0.01 -3.03 0.04 0.00 0.56 0.00 0.00 62.75 60.31 1s58 n ILE 77 Cb 0.17 -2.54 -0.02 0.00 -0.75 0.00 0.00 39.64 36.50 1s58 n ILE 77 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1s58 n THR 78 N 5.41 -2.36 -0.63 1.39 -1.04 -1.26 -4.83 114.28 110.96 1s58 n THR 78 Ca 0.51 1.28 -0.29 0.00 -2.04 0.00 0.00 64.05 63.51 1s58 n THR 78 Cb 0.40 -2.10 0.26 0.00 -1.82 0.00 0.00 70.33 67.07 1s58 n THR 78 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1s58 n PRO 79 N -2.93 -3.91 -3.66 -2.82 -0.04 -1.26 -4.90 135.00 115.48 1s58 n PRO 79 Ca -0.02 -1.54 -0.14 0.00 -0.04 0.00 0.00 63.50 61.76 1s58 n PRO 79 Cb 0.50 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 1s58 n PRO 79 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1s58 s ILE 80 N -2.49 0.04 0.41 0.52 -5.25 -1.26 -4.86 121.20 108.31 1s58 s ILE 80 Ca 0.66 -0.36 0.08 0.00 -0.99 0.00 0.00 60.65 60.04 1s58 s ILE 80 Cb -0.09 -0.85 -0.01 0.00 2.95 0.00 0.00 42.46 44.46 1s58 s ILE 80 CO 0.53 -0.20 0.41 -0.04 -1.79 0.00 0.00 174.94 173.86 1s58 s MET 81 N -1.83 2.60 -0.10 0.37 -1.94 -1.26 -4.14 119.30 113.00 1s58 s MET 81 Ca -0.09 -1.47 -0.33 0.00 -1.71 0.00 0.00 55.69 52.09 1s58 s MET 81 Cb -0.02 -2.46 0.15 0.00 2.01 0.00 0.00 34.83 34.51 1s58 s MET 81 CO 0.02 -0.20 1.43 0.20 -0.01 0.00 0.00 175.02 176.47 1s58 s GLY 82 N -4.17 -0.49 -0.21 -0.03 0.00 -1.20 -4.25 107.32 96.97 1s58 s GLY 82 Ca 0.49 0.97 -0.18 0.00 0.00 0.00 0.00 44.72 46.01 1s58 s GLY 82 CO 0.29 0.19 0.55 -0.19 0.00 0.00 0.00 173.10 173.94 1s58 s TYR 83 N -2.05 -0.66 -0.63 1.90 1.51 -1.02 -1.68 117.35 114.72 1s58 s TYR 83 Ca 0.15 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.74 1s58 s TYR 83 Cb 0.07 0.27 0.16 0.00 -0.11 0.00 0.00 41.96 42.35 1s58 s TYR 83 CO -0.07 -0.33 0.44 -1.54 -1.11 0.00 0.00 175.55 172.94 1s58 s SER 84 N 0.60 5.09 0.24 2.29 1.04 0.30 -0.97 113.70 122.29 1s58 s SER 84 Ca -0.02 -3.01 -0.30 0.00 0.48 0.00 0.00 55.95 53.10 1s58 s SER 84 Cb -0.05 -1.81 -0.09 0.00 0.10 0.00 0.00 66.02 64.17 1s58 s SER 84 CO -0.03 -0.31 1.25 -0.89 0.98 0.00 0.00 173.24 174.23 1s58 s THR 85 N -0.29 3.22 -0.09 2.02 2.01 0.22 -3.19 115.64 119.52 1s58 s THR 85 Ca 0.18 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.32 1s58 s THR 85 Cb -0.20 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.67 1s58 s THR 85 CO -0.04 0.20 0.95 -0.81 -0.69 0.00 0.00 174.62 174.24 1s58 n PRO 86 N 1.94 0.04 -2.74 4.92 -0.04 -1.26 -3.82 135.00 134.04 1s58 n PRO 86 Ca 0.03 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.47 1s58 n PRO 86 Cb 0.43 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1s58 n PRO 86 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1s58 s TRP 87 N -2.88 3.33 -0.18 0.54 0.52 -1.26 -4.63 118.94 114.38 1s58 s TRP 87 Ca -0.01 1.35 -0.13 0.00 0.02 0.00 0.00 56.10 57.34 1s58 s TRP 87 Cb 0.02 -3.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 1s58 s TRP 87 CO 0.05 -0.45 0.24 -0.98 0.02 0.00 0.00 176.95 175.83 1s58 s ARG 88 N 3.08 4.23 0.00 4.98 1.70 -1.26 0.15 118.95 131.83 1s58 s ARG 88 Ca 0.41 -0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 1s58 s ARG 88 Cb -0.15 -3.43 0.00 0.00 -0.57 0.00 0.00 34.95 30.80 1s58 s ARG 88 CO 0.06 0.24 0.00 2.48 -1.08 0.00 0.00 175.30 177.01 1s58 n TYR 89 N 3.60 -1.98 -3.79 5.89 0.18 -1.09 -1.16 117.16 118.82 1s58 n TYR 89 Ca -0.13 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.53 1s58 n TYR 89 Cb 0.52 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 1s58 n TYR 89 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 1s58 s LEU 90 N 0.00 1.03 0.15 -3.48 0.05 -1.23 -3.76 118.68 111.43 1s58 s LEU 90 Ca 0.00 -0.07 0.06 0.00 0.05 0.00 0.00 54.13 54.17 1s58 s LEU 90 Cb 0.00 1.16 -0.04 0.00 -2.05 0.00 0.00 46.19 45.26 1s58 s LEU 90 CO 0.00 -0.48 -0.13 -0.62 -0.55 0.00 0.00 176.35 174.57 1s58 s ASP 91 N -1.58 2.01 0.00 1.48 3.68 -1.26 -4.59 116.67 116.41 1s58 s ASP 91 Ca -0.11 -0.93 0.00 0.00 2.13 0.00 0.00 52.55 53.65 1s58 s ASP 91 Cb -0.04 -0.06 0.00 0.00 -1.45 0.00 0.00 42.92 41.37 1s58 s ASP 91 CO 0.01 -0.22 0.00 2.22 0.13 0.00 0.00 175.17 177.31 1s58 n PHE 92 N 0.09 0.00 0.00 -5.34 1.16 -1.26 -3.33 117.46 108.78 1s58 n PHE 92 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 1s58 n PHE 92 Cb 0.59 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.48 1s58 n PHE 92 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1s58 n ASN 93 N 0.00 0.00 -4.10 5.98 2.85 -1.26 -4.62 115.26 114.11 1s58 n ASN 93 Ca 0.00 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.14 1s58 n ASN 93 Cb 0.14 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.01 1s58 n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s58 s ALA 94 N 0.00 2.68 0.58 5.20 0.00 -1.26 -1.00 121.76 127.95 1s58 s ALA 94 Ca 0.00 -1.82 0.16 0.00 0.00 0.00 0.00 51.96 50.30 1s58 s ALA 94 Cb 0.00 -1.74 0.54 0.00 0.00 0.00 0.00 23.12 21.93 1s58 s ALA 94 CO 0.00 -1.26 1.10 -0.11 0.00 0.00 0.00 175.76 175.49 1s58 n LEU 95 N 4.49 0.00 0.00 0.00 -0.00 -0.72 -3.34 117.00 117.42 1s58 n LEU 95 Ca -0.13 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1s58 n LEU 95 Cb 0.42 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1s58 n LEU 95 CO 0.23 -0.62 0.00 -3.20 -0.00 0.00 0.00 177.39 173.80 1s58 n ASN 96 N -2.83 0.00 0.00 1.96 5.15 0.14 -3.78 115.26 115.90 1s58 n ASN 96 Ca 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1s58 n ASN 96 Cb 1.25 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.50 1s58 n ASN 96 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s58 n LEU 97 N 0.00 0.00 0.00 1.20 -0.00 -1.21 -2.29 117.00 114.70 1s58 n LEU 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1s58 n LEU 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1s58 n LEU 97 CO 0.00 0.00 0.20 0.49 -0.00 0.00 0.00 177.39 178.08 1s58 n PHE 98 N 0.00 0.00 -1.21 1.47 0.99 -1.25 -4.66 117.46 112.79 1s58 n PHE 98 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.14 1s58 n PHE 98 Cb 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 39.48 38.59 1s58 n PHE 98 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1s58 s PHE 99 N -0.82 2.45 -0.43 1.38 0.40 -0.97 -4.56 117.98 115.44 1s58 s PHE 99 Ca 0.00 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 57.85 1s58 s PHE 99 Cb 0.00 -3.09 0.17 0.00 0.51 0.00 0.00 43.02 40.61 1s58 s PHE 99 CO 0.00 -2.03 0.35 0.43 0.70 0.00 0.00 175.22 174.67 1s58 n SER 100 N -3.67 -0.24 0.00 1.36 7.64 -1.26 -4.70 113.62 112.75 1s58 n SER 100 Ca 0.09 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1s58 n SER 100 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1s58 n SER 100 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1s58 n PRO 101 N 2.77 0.00 -0.29 1.43 -0.02 -1.26 0.06 135.00 137.69 1s58 n PRO 101 Ca 0.29 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1s58 n PRO 101 Cb 0.47 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.15 1s58 n PRO 101 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s58 h LEU 102 N 0.00 -0.39 0.00 2.45 6.46 -1.98 1.55 115.31 123.40 1s58 h LEU 102 Ca 0.00 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1s58 h LEU 102 Cb 0.00 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1s58 h LEU 102 CO 0.00 -0.23 0.00 -0.62 -0.62 0.00 0.00 178.44 176.97 1s58 n GLU 103 N -5.39 0.00 0.00 1.25 1.02 0.11 -2.07 120.64 115.56 1s58 n GLU 103 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1s58 n GLU 103 Cb 0.57 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1s58 n GLU 103 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s58 n PHE 104 N -0.31 0.00 -0.01 -0.32 7.35 -0.80 0.17 117.46 123.54 1s58 n PHE 104 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s58 n PHE 104 Cb 0.00 -0.03 -0.00 0.00 0.35 0.00 0.00 39.48 39.80 1s58 n PHE 104 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1s58 n GLN 105 N -1.98 -0.01 -0.09 -4.13 7.27 0.52 0.10 117.38 119.07 1s58 n GLN 105 Ca 0.00 0.56 -0.02 0.00 0.07 0.00 0.00 57.00 57.60 1s58 n GLN 105 Cb 0.00 -0.83 -0.02 0.00 2.41 0.00 0.00 30.24 31.80 1s58 n GLN 105 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1s58 n HIS 106 N -2.62 -0.10 -0.32 3.69 -0.00 0.45 0.15 115.22 116.48 1s58 n HIS 106 Ca 0.00 0.27 0.02 0.00 0.46 0.00 0.00 57.72 58.48 1s58 n HIS 106 Cb 0.00 -0.41 0.10 0.00 -0.12 0.00 0.00 29.99 29.56 1s58 n HIS 106 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1s58 h LEU 107 N 0.00 -0.95 -1.37 0.27 5.85 0.18 0.25 115.31 119.54 1s58 h LEU 107 Ca 0.03 0.27 0.06 0.00 0.84 0.00 0.00 57.88 59.08 1s58 h LEU 107 Cb 0.09 0.59 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1s58 h LEU 107 CO -0.20 -0.29 0.47 0.40 -0.34 0.00 0.00 178.44 178.47 1s58 h ILE 108 N -0.01 1.04 0.00 4.05 1.08 0.28 -1.59 117.51 122.35 1s58 h ILE 108 Ca 0.40 -0.26 -0.21 0.00 -0.39 0.00 0.00 64.86 64.40 1s58 h ILE 108 Cb 0.63 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1s58 h ILE 108 CO -0.91 0.14 -1.08 1.05 -0.69 0.00 0.00 178.15 176.66 1s58 h GLU 109 N 0.77 0.00 0.00 2.37 4.11 0.11 -3.40 114.58 118.54 1s58 h GLU 109 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1s58 h GLU 109 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1s58 h GLU 109 CO -0.10 0.81 -1.73 0.09 0.07 0.00 0.00 179.01 178.15 1s58 n ASN 110 N -3.26 0.26 -4.08 3.06 3.02 -0.49 -4.97 115.26 108.80 1s58 n ASN 110 Ca -0.03 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.01 1s58 n ASN 110 Cb 0.93 1.73 -0.16 0.00 -0.61 0.00 0.00 39.78 41.66 1s58 n ASN 110 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1s58 s TYR 111 N -3.39 1.64 -1.37 3.10 1.51 -0.64 -3.95 117.35 114.25 1s58 s TYR 111 Ca -0.04 -0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 55.39 1s58 s TYR 111 Cb 0.14 -1.15 0.09 0.00 -0.11 0.00 0.00 41.96 40.93 1s58 s TYR 111 CO 0.90 -0.25 2.44 0.41 -1.11 0.00 0.00 175.55 177.94 1s58 n GLY 112 N 3.52 5.01 0.00 0.71 0.00 -1.20 -4.60 105.19 108.63 1s58 n GLY 112 Ca -0.21 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1s58 n GLY 112 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s58 n SER 113 N 2.27 0.00 -3.92 1.61 2.88 -1.26 -4.35 113.62 110.85 1s58 n SER 113 Ca 0.63 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.09 1s58 n SER 113 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1s58 n SER 113 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s58 s ILE 114 N -1.97 0.15 -0.24 2.46 1.01 -1.16 -1.83 121.20 119.62 1s58 s ILE 114 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 60.65 59.12 1s58 s ILE 114 Cb 0.00 -1.21 0.14 0.00 0.01 0.00 0.00 42.46 41.40 1s58 s ILE 114 CO 0.00 -0.70 1.12 0.00 0.00 0.00 0.00 174.94 175.36 1s58 s ALA 115 N -3.39 -2.01 -0.09 9.38 0.00 -1.25 -1.28 121.76 123.12 1s58 s ALA 115 Ca 0.02 1.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 1s58 s ALA 115 Cb 0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1s58 s ALA 115 CO -0.08 -0.24 0.96 -1.25 0.00 0.00 0.00 175.76 175.15 1s58 s PRO 116 N -0.39 4.44 0.00 0.00 0.04 -1.26 -0.34 135.00 137.49 1s58 s PRO 116 Ca 0.03 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1s58 s PRO 116 Cb -0.03 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1s58 s PRO 116 CO -0.05 -0.24 0.00 -3.47 0.04 0.00 0.00 177.00 173.28 1s58 n ASP 117 N 4.73 0.00 -2.42 6.66 -0.08 0.40 -4.43 116.55 121.41 1s58 n ASP 117 Ca 0.07 0.19 -0.06 0.00 -1.51 0.00 0.00 54.79 53.48 1s58 n ASP 117 Cb 0.49 -0.18 0.02 0.00 2.34 0.00 0.00 41.12 43.79 1s58 n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s58 n ALA 118 N -1.05 -1.48 -3.63 -1.67 0.00 -1.22 0.20 120.51 111.65 1s58 n ALA 118 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 53.44 52.54 1s58 n ALA 118 Cb 0.00 0.69 0.02 0.00 0.00 0.00 0.00 19.45 20.16 1s58 n ALA 118 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s58 n LEU 119 N 0.00 0.00 -3.66 0.00 -0.00 -0.46 -1.54 117.00 111.33 1s58 n LEU 119 Ca -0.06 -1.65 -0.13 0.00 -0.00 0.00 0.00 56.01 54.18 1s58 n LEU 119 Cb 0.44 2.63 -0.06 0.00 -0.00 0.00 0.00 43.42 46.43 1s58 n LEU 119 CO 0.20 -0.55 0.16 0.28 -0.00 0.00 0.00 177.39 177.48 1s58 s THR 120 N -2.26 0.05 0.01 1.47 -1.32 0.43 -2.41 115.64 111.61 1s58 s THR 120 Ca 0.14 -0.44 0.07 0.00 -1.21 0.00 0.00 61.69 60.24 1s58 s THR 120 Cb -0.03 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1s58 s THR 120 CO 0.07 -0.24 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.35 1s58 s VAL 121 N -2.41 1.61 -0.18 5.08 1.01 -1.02 -0.06 120.40 124.44 1s58 s VAL 121 Ca -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1s58 s VAL 121 Cb -0.01 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1s58 s VAL 121 CO -0.02 0.34 0.15 -0.89 0.00 0.00 0.00 175.10 174.68 1s58 s THR 122 N -0.61 -0.20 -0.08 3.92 2.01 0.78 -2.96 115.64 118.50 1s58 s THR 122 Ca 0.08 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1s58 s THR 122 Cb -0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1s58 s THR 122 CO 0.00 -0.22 1.08 -0.63 -0.69 0.00 0.00 174.62 174.15 1s58 s ILE 123 N 2.23 4.59 0.00 1.82 1.09 -1.01 -1.65 121.20 128.28 1s58 s ILE 123 Ca 0.04 1.88 0.00 0.00 -1.10 0.00 0.00 60.65 61.47 1s58 s ILE 123 Cb -0.16 -4.21 0.00 0.00 -1.06 0.00 0.00 42.46 37.04 1s58 s ILE 123 CO -0.10 0.01 0.00 -1.20 -0.10 0.00 0.00 174.94 173.55 1s58 n SER 124 N 5.01 0.00 -1.79 3.58 7.64 -1.08 -3.45 113.62 123.53 1s58 n SER 124 Ca 0.09 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.82 1s58 n SER 124 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1s58 n SER 124 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s58 n GLU 125 N 0.00 0.00 -3.17 1.43 4.71 -1.26 -4.42 120.64 117.93 1s58 n GLU 125 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 1s58 n GLU 125 Cb 0.00 -0.56 -0.06 0.00 -1.01 0.00 0.00 31.44 29.81 1s58 n GLU 125 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1s58 s ILE 126 N 2.91 4.65 -0.20 -3.67 1.01 -1.26 -3.80 121.20 120.84 1s58 s ILE 126 Ca 0.54 1.17 -0.15 0.00 0.00 0.00 0.00 60.65 62.20 1s58 s ILE 126 Cb -0.47 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.09 1s58 s ILE 126 CO 0.20 0.22 -0.33 0.00 0.00 0.00 0.00 174.94 175.03 1s58 n ALA 127 N 0.76 1.13 -3.75 9.38 0.00 -1.14 -2.45 120.51 124.45 1s58 n ALA 127 Ca -0.03 -0.87 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 1s58 n ALA 127 Cb 0.51 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1s58 n ALA 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1s58 n VAL 128 N -4.31 -1.02 -4.00 0.00 3.14 -1.20 -4.33 118.33 106.62 1s58 n VAL 128 Ca -0.28 -0.32 -0.35 0.00 -2.96 0.00 0.00 64.34 60.43 1s58 n VAL 128 Cb 0.64 -0.92 -0.10 0.00 -1.06 0.00 0.00 33.84 32.40 1s58 n VAL 128 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1s58 s LYS 129 N -6.01 3.96 0.63 1.45 -2.85 0.18 -3.41 119.74 113.68 1s58 s LYS 129 Ca 0.13 -0.35 -0.09 0.00 -1.00 0.00 0.00 55.97 54.66 1s58 s LYS 129 Cb -0.07 -3.22 -0.01 0.00 -2.06 0.00 0.00 37.83 32.47 1s58 s LYS 129 CO 0.59 0.25 1.00 0.16 0.10 0.00 0.00 175.35 177.44 1s58 s ASP 130 N 0.44 5.84 -0.07 0.03 1.47 -1.02 -1.43 116.67 121.93 1s58 s ASP 130 Ca 0.03 1.12 0.03 0.00 1.18 0.00 0.00 52.55 54.91 1s58 s ASP 130 Cb -0.13 -2.11 0.01 0.00 -0.34 0.00 0.00 42.92 40.36 1s58 s ASP 130 CO 0.01 -1.03 -0.14 -0.69 0.68 0.00 0.00 175.17 173.99 1s58 s VAL 131 N -3.15 1.26 -0.15 2.11 1.01 -0.45 -1.85 120.40 119.18 1s58 s VAL 131 Ca 0.55 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1s58 s VAL 131 Cb -0.11 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.17 1s58 s VAL 131 CO 0.50 0.38 -0.07 0.42 0.00 0.00 0.00 175.10 176.34 1s58 s THR 132 N 0.62 1.16 0.47 3.92 -4.23 0.75 -4.03 115.64 114.30 1s58 s THR 132 Ca -0.15 -0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 59.55 1s58 s THR 132 Cb -0.16 -1.27 -0.07 0.00 1.34 0.00 0.00 72.50 72.33 1s58 s THR 132 CO 0.04 0.21 1.26 1.51 -0.54 0.00 0.00 174.62 177.10 1s58 s ASP 133 N 1.62 5.94 0.48 3.99 -4.77 -1.26 -1.31 116.67 121.36 1s58 s ASP 133 Ca 0.02 2.53 -0.03 0.00 -3.30 0.00 0.00 52.55 51.78 1s58 s ASP 133 Cb -0.15 -2.62 0.04 0.00 -1.09 0.00 0.00 42.92 39.10 1s58 s ASP 133 CO -0.08 -1.09 0.09 1.17 0.70 0.00 0.00 175.17 175.96 1s58 n LYS 134 N -0.48 0.44 0.00 2.11 3.00 -0.49 -4.65 118.16 118.09 1s58 n LYS 134 Ca 0.07 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1s58 n LYS 134 Cb 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.07 1s58 n LYS 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1s58 n THR 135 N -2.84 0.20 0.00 3.15 -1.04 -1.26 -4.49 114.28 108.00 1s58 n THR 135 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1s58 n THR 135 Cb 0.06 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1s58 n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s58 n GLY 136 N 0.37 1.83 0.41 3.41 0.00 -1.26 -4.92 105.19 105.03 1s58 n GLY 136 Ca 0.00 -0.31 0.21 0.00 0.00 0.00 0.00 46.02 45.92 1s58 n GLY 136 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s58 h GLY 137 N 0.00 1.00 0.00 -0.02 0.00 -1.95 -3.47 103.07 98.63 1s58 h GLY 137 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1s58 h GLY 137 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1s58 n GLY 138 N -1.50 -0.07 2.98 4.60 0.00 -1.26 -4.99 105.19 104.94 1s58 n GLY 138 Ca 0.22 0.60 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 1s58 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s58 s VAL 139 N 0.00 0.05 -0.16 1.61 0.11 -1.26 -1.39 120.40 119.36 1s58 s VAL 139 Ca 0.00 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1s58 s VAL 139 Cb 0.00 -0.21 0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1s58 s VAL 139 CO 0.00 -0.23 -0.06 -1.58 -3.33 0.00 0.00 175.10 169.89 1s58 s GLN 140 N -0.71 1.53 -0.19 1.54 2.00 -0.43 -4.52 119.66 118.88 1s58 s GLN 140 Ca -0.08 -0.50 -0.02 0.00 -2.00 0.00 0.00 55.36 52.76 1s58 s GLN 140 Cb -0.05 -1.98 -0.00 0.00 0.80 0.00 0.00 33.01 31.79 1s58 s GLN 140 CO -0.00 -0.40 -0.11 0.54 -0.50 0.00 0.00 175.29 174.82 1s58 s VAL 141 N 1.62 2.87 0.22 1.34 0.11 -1.26 -0.18 120.40 125.12 1s58 s VAL 141 Ca 0.01 -0.67 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 1s58 s VAL 141 Cb -0.15 -2.26 -0.05 0.00 -1.53 0.00 0.00 36.38 32.39 1s58 s VAL 141 CO -0.08 0.48 -0.17 0.42 -3.33 0.00 0.00 175.10 172.42 1s58 s THR 142 N 1.22 2.00 0.18 5.04 -4.23 -0.77 -5.02 115.64 114.05 1s58 s THR 142 Ca 0.02 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.02 1s58 s THR 142 Cb -0.14 -2.09 -0.08 0.00 1.34 0.00 0.00 72.50 71.53 1s58 s THR 142 CO -0.05 -0.46 1.28 -1.81 -0.54 0.00 0.00 174.62 173.04 1s58 s ASP 143 N -3.22 6.95 -0.12 3.99 1.01 -1.26 -2.44 116.67 121.58 1s58 s ASP 143 Ca 0.23 2.32 -0.02 0.00 0.71 0.00 0.00 52.55 55.80 1s58 s ASP 143 Cb -0.03 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1s58 s ASP 143 CO 0.09 -0.49 0.00 -0.55 0.21 0.00 0.00 175.17 174.43 1s58 s SER 144 N 0.41 2.08 0.00 0.27 0.15 -1.22 -4.83 113.70 110.56 1s58 s SER 144 Ca 0.56 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1s58 s SER 144 Cb -0.35 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1s58 s SER 144 CO 0.36 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.58 1s58 n ALA 145 N 5.09 0.00 0.00 5.45 0.00 -1.26 -3.76 120.51 126.03 1s58 n ALA 145 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1s58 n ALA 145 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1s58 n ALA 145 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1s58 n THR 146 N 0.00 0.00 -3.38 0.00 5.66 -1.26 -4.70 114.28 110.60 1s58 n THR 146 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1s58 n THR 146 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1s58 n THR 146 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1s58 s GLY 147 N -0.05 2.52 -0.05 1.09 0.00 -1.25 -5.05 107.32 104.53 1s58 s GLY 147 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 1s58 s GLY 147 CO 0.00 0.21 0.13 0.50 0.00 0.00 0.00 173.10 173.94 1s58 s ARG 148 N -1.55 0.12 -0.76 2.90 0.52 -1.26 -4.41 118.95 114.51 1s58 s ARG 148 Ca 0.32 0.23 -0.26 0.00 -0.52 0.00 0.00 55.73 55.50 1s58 s ARG 148 Cb -0.17 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.31 1s58 s ARG 148 CO 0.18 -0.07 1.45 -1.17 0.02 0.00 0.00 175.30 175.71 1s58 s LEU 149 N 0.44 3.24 0.87 2.53 2.96 -1.06 -1.65 118.68 126.01 1s58 s LEU 149 Ca -0.03 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.29 1s58 s LEU 149 Cb -0.05 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1s58 s LEU 149 CO -0.02 -1.94 0.30 0.00 -1.32 0.00 0.00 176.35 173.37 1s58 s MET 151 N -3.12 0.52 -0.05 0.00 1.75 0.04 -3.76 119.30 114.69 1s58 s MET 151 Ca 0.58 1.23 -0.02 0.00 -1.25 0.00 0.00 55.69 56.23 1s58 s MET 151 Cb -0.26 0.48 0.03 0.00 2.84 0.00 0.00 34.83 37.92 1s58 s MET 151 CO 0.66 -0.20 0.10 -1.17 -0.65 0.00 0.00 175.02 173.77 1s58 s LEU 152 N 2.38 1.02 -0.14 4.11 0.20 -0.72 -1.44 118.68 124.10 1s58 s LEU 152 Ca -0.06 0.20 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 1s58 s LEU 152 Cb -0.10 0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.86 1s58 s LEU 152 CO -0.17 -0.12 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.05 1s58 s VAL 153 N 0.90 3.96 0.05 1.68 1.01 -1.26 -0.91 120.40 125.84 1s58 s VAL 153 Ca -0.07 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1s58 s VAL 153 Cb -0.10 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 1s58 s VAL 153 CO -0.04 0.52 1.34 -0.78 0.00 0.00 0.00 175.10 176.14 1s58 h ASP 154 N 6.31 -0.87 0.00 3.32 -0.00 -1.59 -3.44 116.42 120.14 1s58 h ASP 154 Ca -0.36 0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1s58 h ASP 154 Cb 1.19 0.29 0.00 0.00 -0.00 0.00 0.00 39.33 40.81 1s58 h ASP 154 CO 0.61 -0.40 0.00 1.41 -0.00 0.00 0.00 179.24 180.86 1s58 n HIS 155 N -4.26 0.00 -0.22 0.28 8.25 -1.26 -3.57 115.22 114.44 1s58 n HIS 155 Ca -0.07 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.52 1s58 n HIS 155 Cb 0.28 0.00 0.43 0.00 1.12 0.00 0.00 29.99 31.82 1s58 n HIS 155 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1s58 h GLU 156 N 0.00 0.56 0.00 -0.41 5.08 -2.01 -3.47 114.58 114.34 1s58 h GLU 156 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1s58 h GLU 156 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1s58 h GLU 156 CO 0.00 0.37 0.00 0.66 -1.00 0.00 0.00 179.01 179.04 1s58 n TYR 157 N -4.52 0.00 -3.64 4.33 4.01 -1.23 -5.09 117.16 111.02 1s58 n TYR 157 Ca 0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.57 1s58 n TYR 157 Cb 0.48 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1s58 n TYR 157 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1s58 s LYS 158 N -1.52 3.66 0.00 -0.72 -2.85 -1.26 -4.69 119.74 112.36 1s58 s LYS 158 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1s58 s LYS 158 Cb 0.00 -2.88 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1s58 s LYS 158 CO 0.00 0.48 0.00 0.66 0.10 0.00 0.00 175.35 176.59 1s58 n TYR 159 N 0.30 0.00 -0.48 1.78 0.53 -1.26 -4.95 117.16 113.08 1s58 n TYR 159 Ca -0.04 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.68 1s58 n TYR 159 Cb 0.52 -0.49 -0.01 0.00 -1.03 0.00 0.00 39.34 38.33 1s58 n TYR 159 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 1s58 n PRO 160 N -0.10 0.00 0.00 -0.72 -0.04 -1.26 -4.94 135.00 127.94 1s58 n PRO 160 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1s58 n PRO 160 Cb 0.00 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1s58 n PRO 160 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1s58 n TYR 161 N -0.19 -0.15 0.00 0.54 9.36 -1.26 -5.01 117.16 120.45 1s58 n TYR 161 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1s58 n TYR 161 Cb 0.12 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1s58 n TYR 161 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1s58 n VAL 162 N -0.15 0.00 0.00 2.97 3.14 -1.26 -5.01 118.33 118.02 1s58 n VAL 162 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1s58 n VAL 162 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1s58 n VAL 162 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1s58 n LEU 163 N 0.00 0.00 0.11 6.55 4.77 -1.26 -2.09 117.00 125.09 1s58 n LEU 163 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1s58 n LEU 163 Cb 0.00 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 1s58 n LEU 163 CO 0.00 0.00 0.85 0.61 -1.33 0.00 0.00 177.39 177.52 1s58 n GLY 164 N 0.00 -1.34 3.53 -0.72 0.00 -1.26 -4.67 105.19 100.73 1s58 n GLY 164 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1s58 n GLY 164 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s58 s GLN 165 N -3.25 3.38 0.00 1.61 -1.52 -0.89 -4.86 119.66 114.14 1s58 s GLN 165 Ca 0.06 -0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.31 1s58 s GLN 165 Cb 0.10 -4.01 0.00 0.00 -0.22 0.00 0.00 33.01 28.88 1s58 s GLN 165 CO 0.42 -1.38 0.00 0.41 -0.25 0.00 0.00 175.29 174.49 1s58 n GLY 166 N 5.06 0.00 0.04 3.09 0.00 -1.26 -4.90 105.19 107.23 1s58 n GLY 166 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1s58 n GLY 166 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1s58 n GLN 167 N 0.05 1.64 -2.20 1.61 7.27 -1.26 -4.97 117.38 119.52 1s58 n GLN 167 Ca 0.00 0.02 -0.04 0.00 0.07 0.00 0.00 57.00 57.05 1s58 n GLN 167 Cb 0.00 -1.20 -0.01 0.00 2.41 0.00 0.00 30.24 31.45 1s58 n GLN 167 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1s58 n ASP 168 N -2.51 -1.88 -2.76 1.69 9.92 -1.26 -4.75 116.55 115.00 1s58 n ASP 168 Ca -0.15 0.33 -0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1s58 n ASP 168 Cb 0.72 -1.76 0.07 0.00 -0.64 0.00 0.00 41.12 39.51 1s58 n ASP 168 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1s58 n THR 169 N -2.51 -0.02 0.00 -3.53 -2.24 -1.26 -5.13 114.28 99.59 1s58 n THR 169 Ca -0.05 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1s58 n THR 169 Cb 0.46 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1s58 n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s58 n LEU 170 N 0.73 0.00 -4.64 3.22 -0.00 -1.26 -4.41 117.00 110.64 1s58 n LEU 170 Ca 0.08 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.65 1s58 n LEU 170 Cb 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.06 1s58 n LEU 170 CO 0.05 0.00 1.65 0.00 -0.00 0.00 0.00 177.39 179.09 1s58 n ALA 171 N -3.00 1.46 -1.63 1.47 0.00 -1.21 -4.83 120.51 112.76 1s58 n ALA 171 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1s58 n ALA 171 Cb 0.00 -2.70 -0.07 0.00 0.00 0.00 0.00 19.45 16.68 1s58 n ALA 171 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1s58 s PRO 172 N 4.94 1.68 0.18 0.00 0.02 -1.26 -4.72 135.00 135.84 1s58 s PRO 172 Ca 0.94 0.31 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1s58 s PRO 172 Cb -0.49 -4.84 0.00 0.00 0.02 0.00 0.00 34.50 29.20 1s58 s PRO 172 CO 0.43 -4.41 0.27 -1.91 -0.33 0.00 0.00 177.00 171.05 1s58 n GLU 173 N 8.77 0.01 -3.93 5.54 2.13 -1.26 -4.39 120.64 127.51 1s58 n GLU 173 Ca 0.46 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 58.43 1s58 n GLU 173 Cb 0.44 -0.69 -0.11 0.00 0.27 0.00 0.00 31.44 31.34 1s58 n GLU 173 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1s58 s LEU 174 N -2.07 2.03 0.45 4.31 2.96 -1.26 -4.64 118.68 120.45 1s58 s LEU 174 Ca 0.00 -0.33 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 1s58 s LEU 174 Cb 0.00 0.22 -0.10 0.00 0.50 0.00 0.00 46.19 46.81 1s58 s LEU 174 CO 0.00 -0.26 0.95 -2.65 -1.32 0.00 0.00 176.35 173.08 1s58 n PRO 175 N 1.86 1.21 -3.03 0.98 -0.02 -1.26 -3.53 135.00 131.21 1s58 n PRO 175 Ca -0.21 0.44 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1s58 n PRO 175 Cb 0.56 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1s58 n PRO 175 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1s58 n ILE 176 N -0.70 -9.16 -2.75 4.25 5.41 -1.26 -4.99 119.36 110.16 1s58 n ILE 176 Ca 0.10 -0.68 -0.04 0.00 1.00 0.00 0.00 62.75 63.13 1s58 n ILE 176 Cb 0.40 -6.52 0.02 0.00 -0.71 0.00 0.00 39.64 32.83 1s58 n ILE 176 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1s58 n TRP 177 N -2.33 -3.37 -0.29 1.39 7.02 -1.23 -5.14 117.44 113.50 1s58 n TRP 177 Ca -0.03 -1.31 -0.10 0.00 -1.02 0.00 0.00 57.50 55.04 1s58 n TRP 177 Cb 0.55 1.45 0.01 0.00 -2.42 0.00 0.00 31.31 30.89 1s58 n TRP 177 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1s58 n VAL 178 N 2.72 0.00 -3.75 -0.99 0.31 -1.26 -4.68 118.33 110.68 1s58 n VAL 178 Ca 0.16 -0.14 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1s58 n VAL 178 Cb 0.58 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.34 1s58 n VAL 178 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1s58 s TYR 179 N -0.54 0.25 -0.53 3.52 6.04 -1.13 -4.77 117.35 120.19 1s58 s TYR 179 Ca 0.12 0.10 0.03 0.00 0.04 0.00 0.00 57.07 57.36 1s58 s TYR 179 Cb -0.07 -0.52 0.41 0.00 -1.04 0.00 0.00 41.96 40.75 1s58 s TYR 179 CO 0.21 -0.20 1.41 1.19 -1.54 0.00 0.00 175.55 176.62 1s58 n PHE 180 N 4.94 3.18 0.00 4.97 3.01 -1.26 -0.91 117.46 131.39 1s58 n PHE 180 Ca -0.11 -2.77 0.00 0.00 1.01 0.00 0.00 57.45 55.58 1s58 n PHE 180 Cb 0.50 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1s58 n PHE 180 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1s58 n PRO 181 N -0.57 0.00 -0.88 -1.08 -0.02 -1.26 -4.88 135.00 126.30 1s58 n PRO 181 Ca 0.45 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.72 1s58 n PRO 181 Cb 0.62 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.11 1s58 n PRO 181 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s58 n PRO 182 N 0.00 0.00 -4.80 0.52 -0.02 -1.25 -4.69 135.00 124.76 1s58 n PRO 182 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1s58 n PRO 182 Cb 0.00 -1.00 -0.16 0.00 -0.02 0.00 0.00 33.50 32.32 1s58 n PRO 182 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s58 s GLN 183 N -1.99 1.93 0.22 -0.52 -1.52 -1.26 -2.68 119.66 113.84 1s58 s GLN 183 Ca 0.20 -0.58 -0.31 0.00 -1.95 0.00 0.00 55.36 52.72 1s58 s GLN 183 Cb 0.06 -1.60 -0.11 0.00 -0.22 0.00 0.00 33.01 31.14 1s58 s GLN 183 CO 0.36 0.16 1.60 -0.47 -0.25 0.00 0.00 175.29 176.69 1s58 s TYR 184 N 0.29 2.93 -0.27 0.91 5.04 0.39 -4.82 117.35 121.83 1s58 s TYR 184 Ca -0.10 0.65 -0.22 0.00 -2.44 0.00 0.00 57.07 54.97 1s58 s TYR 184 Cb -0.14 -4.01 0.07 0.00 0.35 0.00 0.00 41.96 38.24 1s58 s TYR 184 CO 0.04 -3.60 0.70 0.00 -1.34 0.00 0.00 175.55 171.35 1s58 s ALA 185 N 0.68 -1.79 0.31 3.97 0.00 -1.25 0.68 121.76 124.37 1s58 s ALA 185 Ca 0.68 2.14 0.02 0.00 0.00 0.00 0.00 51.96 54.80 1s58 s ALA 185 Cb -0.46 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1s58 s ALA 185 CO 0.37 -0.35 0.08 2.48 0.00 0.00 0.00 175.76 178.35 1s58 n TYR 186 N 3.26 0.27 -3.70 0.00 0.18 -0.15 -4.89 117.16 112.14 1s58 n TYR 186 Ca -0.16 -1.85 -0.28 0.00 1.88 0.00 0.00 57.90 57.48 1s58 n TYR 186 Cb 0.56 -0.06 -0.12 0.00 -0.38 0.00 0.00 39.34 39.35 1s58 n TYR 186 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1s58 s LEU 187 N 0.00 3.18 0.00 -3.48 2.01 -1.26 -2.43 118.68 116.70 1s58 s LEU 187 Ca 0.11 -3.22 -0.16 0.00 0.01 0.00 0.00 54.13 50.88 1s58 s LEU 187 Cb 0.01 -1.11 0.24 0.00 0.01 0.00 0.00 46.19 45.33 1s58 s LEU 187 CO 0.08 -0.17 0.75 0.41 1.01 0.00 0.00 176.35 178.43 1s58 n THR 188 N 2.75 0.00 -4.05 5.49 -1.04 -1.26 -4.90 114.28 111.27 1s58 n THR 188 Ca 0.18 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1s58 n THR 188 Cb 0.38 -1.05 -0.09 0.00 -1.82 0.00 0.00 70.33 67.76 1s58 n THR 188 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1s58 s VAL 189 N -2.27 0.14 0.00 12.58 1.01 -1.26 -4.22 120.40 126.38 1s58 s VAL 189 Ca 0.51 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1s58 s VAL 189 Cb -0.06 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1s58 s VAL 189 CO 0.40 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1s58 n GLY 190 N -0.04 -0.69 3.75 4.51 0.00 -1.26 -3.58 105.19 107.87 1s58 n GLY 190 Ca -0.10 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1s58 n GLY 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s58 s ASP 191 N -4.00 7.15 -0.28 1.61 1.01 -0.67 -4.82 116.67 116.67 1s58 s ASP 191 Ca 0.00 2.25 -0.02 0.00 0.71 0.00 0.00 52.55 55.49 1s58 s ASP 191 Cb 0.00 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1s58 s ASP 191 CO 0.00 -0.29 0.09 0.54 0.21 0.00 0.00 175.17 175.72 1s58 s VAL 192 N -0.47 0.60 -0.15 -1.27 0.11 -1.26 0.35 120.40 118.30 1s58 s VAL 192 Ca 0.50 -1.07 -0.11 0.00 -2.93 0.00 0.00 61.98 58.37 1s58 s VAL 192 Cb -0.32 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 1s58 s VAL 192 CO 0.39 -0.58 0.20 0.20 -3.33 0.00 0.00 175.10 171.98 1s58 s ASN 193 N 1.77 6.36 -0.38 3.54 -0.87 0.11 -4.88 114.94 120.60 1s58 s ASN 193 Ca 0.07 0.42 -0.01 0.00 -1.57 0.00 0.00 52.86 51.77 1s58 s ASN 193 Cb -0.17 -2.13 0.22 0.00 -0.02 0.00 0.00 41.25 39.16 1s58 s ASN 193 CO -0.24 0.22 2.12 0.35 -2.57 0.00 0.00 177.10 176.98 1s58 n THR 194 N 3.06 2.95 -3.70 1.60 -2.24 -1.26 0.66 114.28 115.35 1s58 n THR 194 Ca -0.15 -1.98 -0.21 0.00 -2.27 0.00 0.00 64.05 59.43 1s58 n THR 194 Cb 0.53 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 1s58 n THR 194 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1s58 s GLN 195 N -2.04 2.62 0.00 -0.78 -1.52 -0.73 -4.04 119.66 113.18 1s58 s GLN 195 Ca 0.38 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 1s58 s GLN 195 Cb 0.29 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.66 1s58 s GLN 195 CO -0.04 -0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 1s58 n GLY 196 N -1.45 2.77 0.14 3.09 0.00 -1.26 -4.60 105.19 103.88 1s58 n GLY 196 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1s58 n GLY 196 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s58 n ILE 197 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -5.04 119.36 117.86 1s58 n ILE 197 Ca 0.00 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1s58 n ILE 197 Cb 0.00 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1s58 n ILE 197 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1s58 n SER 198 N -1.87 0.00 -3.27 4.38 3.41 -1.26 -4.97 113.62 110.04 1s58 n SER 198 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1s58 n SER 198 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1s58 n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s58 n GLY 199 N 0.00 3.30 3.15 5.00 0.00 -1.26 -4.89 105.19 110.48 1s58 n GLY 199 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1s58 n GLY 199 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s58 s ASP 200 N -1.41 -0.18 -0.08 1.61 2.15 -1.26 -4.32 116.67 113.18 1s58 s ASP 200 Ca 0.36 0.74 -0.19 0.00 0.43 0.00 0.00 52.55 53.89 1s58 s ASP 200 Cb 0.15 1.35 -0.05 0.00 -0.30 0.00 0.00 42.92 44.08 1s58 s ASP 200 CO -0.09 -0.26 0.51 -0.44 -0.17 0.00 0.00 175.17 174.72 1s58 s SER 201 N 2.61 6.77 -0.01 -0.34 0.01 -0.81 -1.77 113.70 120.17 1s58 s SER 201 Ca 0.05 0.92 0.03 0.00 1.31 0.00 0.00 55.95 58.25 1s58 s SER 201 Cb -0.13 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1s58 s SER 201 CO -0.14 0.04 -0.09 -1.59 0.41 0.00 0.00 173.24 171.87 1s58 s LYS 202 N 0.33 0.74 -0.01 12.44 -2.85 0.21 -3.00 119.74 127.59 1s58 s LYS 202 Ca 0.28 -0.32 -0.25 0.00 -1.00 0.00 0.00 55.97 54.67 1s58 s LYS 202 Cb -0.16 -0.72 -0.04 0.00 -2.06 0.00 0.00 37.83 34.85 1s58 s LYS 202 CO 0.12 0.19 0.77 0.21 0.10 0.00 0.00 175.35 176.75 1s58 s LYS 203 N -0.18 4.48 0.36 1.78 2.47 -1.26 0.05 119.74 127.44 1s58 s LYS 203 Ca 0.03 1.04 0.03 0.00 -1.56 0.00 0.00 55.97 55.52 1s58 s LYS 203 Cb -0.04 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 1s58 s LYS 203 CO -0.00 0.13 0.10 -1.17 0.16 0.00 0.00 175.35 174.56 1s58 s LEU 204 N 0.52 2.00 -0.10 5.43 2.96 1.07 -4.69 118.68 125.88 1s58 s LEU 204 Ca 0.40 -1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 1s58 s LEU 204 Cb -0.19 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1s58 s LEU 204 CO 0.22 -0.80 0.53 0.00 -1.32 0.00 0.00 176.35 174.98 1s58 s ALA 205 N -3.31 3.45 0.35 5.97 0.00 -1.26 -1.66 121.76 125.29 1s58 s ALA 205 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1s58 s ALA 205 Cb 0.05 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.48 1s58 s ALA 205 CO 0.15 -0.00 0.21 0.45 0.00 0.00 0.00 175.76 176.56 1s58 n SER 206 N 3.60 2.28 0.36 0.00 2.88 -1.26 -4.46 113.62 117.01 1s58 n SER 206 Ca -0.06 -2.25 -0.14 0.00 -1.33 0.00 0.00 58.87 55.09 1s58 n SER 206 Cb 0.52 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1s58 n SER 206 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1s58 h GLU 207 N 0.00 -0.90 -1.98 -1.46 5.08 -1.97 -2.08 114.58 111.26 1s58 h GLU 207 Ca -0.23 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1s58 h GLU 207 Cb 0.81 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1s58 h GLU 207 CO 0.37 -0.60 0.00 0.39 -1.00 0.00 0.00 179.01 178.17 1s58 n GLU 208 N -4.70 0.02 -4.06 2.33 1.02 -1.26 -4.65 120.64 109.34 1s58 n GLU 208 Ca -0.12 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 1s58 n GLU 208 Cb 0.37 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1s58 n GLU 208 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s58 s SER 209 N 1.01 5.11 -0.07 1.62 0.01 -0.78 -4.50 113.70 116.09 1s58 s SER 209 Ca 0.00 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1s58 s SER 209 Cb 0.00 -1.05 0.03 0.00 0.21 0.00 0.00 66.02 65.21 1s58 s SER 209 CO 0.00 -0.17 -0.01 0.00 0.41 0.00 0.00 173.24 173.47 1s58 s ALA 210 N -2.28 0.76 -0.94 1.44 0.00 -1.26 -4.94 121.76 114.54 1s58 s ALA 210 Ca 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1s58 s ALA 210 Cb -0.06 -0.73 0.28 0.00 0.00 0.00 0.00 23.12 22.61 1s58 s ALA 210 CO 0.24 -0.41 1.15 0.34 0.00 0.00 0.00 175.76 177.08 1s58 n PHE 211 N 5.01 3.19 -1.64 0.00 7.35 -1.26 -4.78 117.46 125.33 1s58 n PHE 211 Ca -0.10 -3.36 -0.43 0.00 -0.76 0.00 0.00 57.45 52.81 1s58 n PHE 211 Cb 0.50 -1.08 -0.03 0.00 0.35 0.00 0.00 39.48 39.21 1s58 n PHE 211 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1s58 n TYR 212 N 1.45 2.30 -3.36 -5.13 4.02 -1.26 -4.93 117.16 110.24 1s58 n TYR 212 Ca 0.26 -0.26 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1s58 n TYR 212 Cb 0.36 -2.77 -0.04 0.00 -0.02 0.00 0.00 39.34 36.87 1s58 n TYR 212 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 1s58 n VAL 213 N 6.31 3.64 -0.01 -0.72 3.14 -1.26 -4.98 118.33 124.45 1s58 n VAL 213 Ca 0.24 -5.42 -0.00 0.00 -2.96 0.00 0.00 64.34 56.20 1s58 n VAL 213 Cb 0.41 -2.21 -0.00 0.00 -1.06 0.00 0.00 33.84 30.98 1s58 n VAL 213 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1s58 n LEU 214 N 1.59 -0.02 0.30 6.55 7.99 -1.26 -0.06 117.00 132.10 1s58 n LEU 214 Ca 0.26 0.04 0.13 0.00 -0.01 0.00 0.00 56.01 56.42 1s58 n LEU 214 Cb 0.37 -0.01 0.63 0.00 -0.11 0.00 0.00 43.42 44.31 1s58 n LEU 214 CO 0.50 -0.03 1.11 -0.33 -1.51 0.00 0.00 177.39 177.12 1s58 h GLU 215 N 0.00 0.00 -3.95 3.23 4.39 -2.02 -3.30 114.58 112.93 1s58 h GLU 215 Ca 0.01 0.00 -0.78 0.00 0.34 0.00 0.00 59.36 58.93 1s58 h GLU 215 Cb 0.01 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.41 1s58 h GLU 215 CO -0.02 0.00 0.73 -1.58 -1.16 0.00 0.00 179.01 176.98 1s58 s HIS 216 N -4.12 4.02 0.00 4.33 2.46 0.91 -4.52 115.29 118.38 1s58 s HIS 216 Ca -0.03 -2.51 0.00 0.00 0.47 0.00 0.00 55.06 53.00 1s58 s HIS 216 Cb 0.07 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 1s58 s HIS 216 CO 0.24 -1.09 0.00 -1.13 -2.47 0.00 0.00 174.74 170.29 1s58 n SER 217 N 3.66 0.00 -0.55 9.88 3.41 -1.24 -4.98 113.62 123.80 1s58 n SER 217 Ca 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.83 1s58 n SER 217 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1s58 n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s58 n SER 218 N 0.00 -0.16 -3.98 4.04 7.64 -1.26 -4.99 113.62 114.91 1s58 n SER 218 Ca 0.00 0.14 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 1s58 n SER 218 Cb 0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 62.99 1s58 n SER 218 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1s58 s PHE 219 N -0.13 1.17 0.19 1.43 -0.12 -1.26 -5.04 117.98 114.22 1s58 s PHE 219 Ca 0.08 -1.35 -0.05 0.00 -0.05 0.00 0.00 56.93 55.55 1s58 s PHE 219 Cb -0.11 -0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 41.74 1s58 s PHE 219 CO 0.07 -0.75 0.44 1.14 -0.05 0.00 0.00 175.22 176.07 1s58 s GLN 220 N -3.96 3.64 0.00 1.99 -2.07 -0.52 -4.89 119.66 113.86 1s58 s GLN 220 Ca 0.37 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.87 1s58 s GLN 220 Cb 0.05 -2.78 0.00 0.00 -1.09 0.00 0.00 33.01 29.19 1s58 s GLN 220 CO 0.15 0.39 0.00 1.28 -1.32 0.00 0.00 175.29 175.79 1s58 n LEU 221 N -0.19 0.00 0.00 2.60 4.77 -1.26 -0.78 117.00 122.14 1s58 n LEU 221 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1s58 n LEU 221 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1s58 n LEU 221 CO 0.48 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.72 1s58 n LEU 222 N 0.00 0.00 0.00 2.23 4.77 -1.25 -4.60 117.00 118.14 1s58 n LEU 222 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1s58 n LEU 222 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1s58 n LEU 222 CO 0.00 0.00 0.06 0.61 -1.33 0.00 0.00 177.39 176.73 1s58 n GLY 223 N 0.00 -3.60 3.70 -0.72 0.00 -1.26 -2.57 105.19 100.73 1s58 n GLY 223 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1s58 n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s58 s THR 224 N -1.19 2.55 0.00 2.61 2.01 -1.26 -3.44 115.64 116.91 1s58 s THR 224 Ca 0.11 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1s58 s THR 224 Cb -0.02 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1s58 s THR 224 CO 0.09 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1s58 n GLY 225 N -0.36 0.33 3.03 4.40 0.00 -1.03 -4.85 105.19 106.71 1s58 n GLY 225 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1s58 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s58 n GLY 226 N -0.02 -2.44 2.36 -0.02 0.00 -1.22 -4.38 105.19 99.47 1s58 n GLY 226 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1s58 n GLY 226 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s58 n THR 227 N -4.31 0.00 -3.63 2.61 -1.04 -1.26 -4.16 114.28 102.49 1s58 n THR 227 Ca 0.05 -1.40 -0.03 0.00 -2.04 0.00 0.00 64.05 60.63 1s58 n THR 227 Cb 0.38 0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 69.67 1s58 n THR 227 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s58 s ALA 228 N -2.59 -2.16 0.31 2.41 0.00 -1.22 -4.99 121.76 113.52 1s58 s ALA 228 Ca 0.23 1.85 -0.19 0.00 0.00 0.00 0.00 51.96 53.85 1s58 s ALA 228 Cb -0.00 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1s58 s ALA 228 CO 0.16 -0.49 0.83 0.99 0.00 0.00 0.00 175.76 177.26 1s58 s THR 229 N -1.88 0.00 0.04 0.00 2.01 -1.26 -2.39 115.64 112.15 1s58 s THR 229 Ca 0.11 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 1s58 s THR 229 Cb -0.01 -2.63 0.09 0.00 0.01 0.00 0.00 72.50 69.96 1s58 s THR 229 CO -0.04 0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.11 1s58 s MET 230 N -2.70 0.64 -0.08 4.92 0.23 -1.16 -5.02 119.30 116.13 1s58 s MET 230 Ca 0.15 -0.41 -0.32 0.00 -1.03 0.00 0.00 55.69 54.08 1s58 s MET 230 Cb -0.05 0.18 0.14 0.00 -1.53 0.00 0.00 34.83 33.57 1s58 s MET 230 CO 0.09 -0.30 1.41 -1.54 -2.03 0.00 0.00 175.02 172.64 1s58 s SER 231 N -3.70 -0.01 0.22 -1.18 1.04 -1.26 -2.43 113.70 106.38 1s58 s SER 231 Ca 0.27 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.50 1s58 s SER 231 Cb -0.01 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1s58 s SER 231 CO 0.01 -0.07 0.54 -0.72 0.98 0.00 0.00 173.24 173.98 1s58 s TYR 232 N -2.09 -0.02 -0.29 5.02 -0.00 -1.01 -5.02 117.35 113.93 1s58 s TYR 232 Ca 0.16 -0.34 -0.05 0.00 -0.00 0.00 0.00 57.07 56.84 1s58 s TYR 232 Cb 0.07 0.39 0.02 0.00 -0.00 0.00 0.00 41.96 42.44 1s58 s TYR 232 CO -0.06 -0.98 0.04 0.21 -0.00 0.00 0.00 175.55 174.77 1s58 s LYS 233 N -3.91 2.87 -0.12 -3.49 2.36 -1.26 -1.36 119.74 114.83 1s58 s LYS 233 Ca 0.12 -0.99 -0.31 0.00 -2.55 0.00 0.00 55.97 52.25 1s58 s LYS 233 Cb -0.02 -3.28 -0.08 0.00 -1.05 0.00 0.00 37.83 33.40 1s58 s LYS 233 CO 0.01 -0.49 2.08 1.19 1.55 0.00 0.00 175.35 179.68 1s58 n PHE 234 N 4.78 2.18 -0.21 4.03 3.01 0.53 -4.89 117.46 126.90 1s58 n PHE 234 Ca -0.14 -0.15 -0.04 0.00 1.01 0.00 0.00 57.45 58.12 1s58 n PHE 234 Cb 0.47 -2.73 0.04 0.00 -0.01 0.00 0.00 39.48 37.25 1s58 n PHE 234 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1s58 n PRO 235 N 7.91 0.17 -0.09 -1.08 -0.04 -1.26 -4.70 135.00 135.91 1s58 n PRO 235 Ca 0.26 -0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1s58 n PRO 235 Cb 0.38 -0.50 0.11 0.00 -0.04 0.00 0.00 33.50 33.45 1s58 n PRO 235 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1s58 n PRO 236 N -0.52 -2.96 0.00 0.54 -0.04 -1.26 -4.93 135.00 125.83 1s58 n PRO 236 Ca 0.02 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1s58 n PRO 236 Cb 0.08 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1s58 n PRO 236 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1s58 n VAL 237 N -4.02 0.00 -1.78 0.52 3.14 -1.26 -5.08 118.33 109.84 1s58 n VAL 237 Ca 0.05 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.05 1s58 n VAL 237 Cb 0.22 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.05 1s58 n VAL 237 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1s58 s PRO 238 N -0.46 2.87 0.30 1.45 0.02 -1.26 -4.97 135.00 132.95 1s58 s PRO 238 Ca 0.00 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 1s58 s PRO 238 Cb 0.00 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1s58 s PRO 238 CO 0.00 -1.37 0.56 -1.25 -0.33 0.00 0.00 177.00 174.61 1s58 s PRO 239 N -3.14 3.61 -0.52 5.54 0.04 -1.26 -4.91 135.00 134.35 1s58 s PRO 239 Ca 0.77 -0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.51 1s58 s PRO 239 Cb -0.38 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.55 1s58 s PRO 239 CO 0.43 0.19 0.98 -1.21 0.04 0.00 0.00 177.00 177.44 1s58 s GLU 240 N -3.69 3.44 0.81 4.56 0.41 -0.40 -4.85 118.70 118.98 1s58 s GLU 240 Ca 0.43 -0.01 -0.15 0.00 -0.41 0.00 0.00 54.97 54.83 1s58 s GLU 240 Cb -0.11 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 28.22 1s58 s GLU 240 CO 0.31 -1.42 0.35 -1.71 -0.49 0.00 0.00 175.26 172.30 1s58 n ASN 241 N 7.52 -2.00 -2.06 -0.19 2.85 -1.26 -2.97 115.26 117.15 1s58 n ASN 241 Ca 0.05 0.47 -0.08 0.00 -0.11 0.00 0.00 54.58 54.91 1s58 n ASN 241 Cb 0.48 -1.16 0.06 0.00 1.24 0.00 0.00 39.78 40.40 1s58 n ASN 241 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s58 n LEU 242 N -0.17 2.98 -4.03 1.20 4.77 -1.26 -4.69 117.00 115.79 1s58 n LEU 242 Ca 0.08 -3.70 -0.08 0.00 -0.03 0.00 0.00 56.01 52.28 1s58 n LEU 242 Cb 0.51 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1s58 n LEU 242 CO 0.51 1.44 -0.31 -1.61 -1.33 0.00 0.00 177.39 176.08 1s58 s GLU 243 N -3.19 0.58 0.00 3.23 2.02 -1.26 -4.28 118.70 115.79 1s58 s GLU 243 Ca 0.39 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1s58 s GLU 243 Cb 0.37 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.81 1s58 s GLU 243 CO -0.03 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1s58 n GLY 244 N 0.45 -0.46 2.46 -1.39 0.00 0.68 -4.78 105.19 102.15 1s58 n GLY 244 Ca -0.17 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 1s58 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s58 n SER 246 N 1.53 0.55 0.00 0.00 3.41 0.95 -4.38 113.62 115.68 1s58 n SER 246 Ca 0.15 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1s58 n SER 246 Cb 0.58 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1s58 n SER 246 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1s58 n GLN 247 N 4.13 0.00 -3.03 4.33 7.27 -1.26 -4.72 117.38 124.10 1s58 n GLN 247 Ca 0.05 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.73 1s58 n GLN 247 Cb 0.04 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.63 1s58 n GLN 247 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1s58 s HIS 248 N -0.55 3.87 0.13 3.69 3.76 -1.26 -4.80 115.29 120.13 1s58 s HIS 248 Ca 0.00 1.56 -0.27 0.00 -0.15 0.00 0.00 55.06 56.20 1s58 s HIS 248 Cb 0.00 -2.71 -0.07 0.00 1.11 0.00 0.00 32.58 30.90 1s58 s HIS 248 CO 0.00 0.51 1.46 0.35 -0.85 0.00 0.00 174.74 176.21 1s58 h PHE 249 N 4.25 -1.55 0.00 1.40 -0.00 -1.94 0.96 116.94 120.06 1s58 h PHE 249 Ca -0.48 0.10 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 1s58 h PHE 249 Cb 1.21 0.76 0.00 0.00 -0.00 0.00 0.00 35.95 37.92 1s58 h PHE 249 CO 0.65 -0.35 0.00 2.48 -0.00 0.00 0.00 178.31 181.08 1s58 n TYR 250 N -4.93 0.00 -2.68 0.41 0.18 -1.26 -3.53 117.16 105.34 1s58 n TYR 250 Ca -0.00 -0.05 -0.03 0.00 1.88 0.00 0.00 57.90 59.69 1s58 n TYR 250 Cb 0.25 -0.08 0.05 0.00 -0.38 0.00 0.00 39.34 39.17 1s58 n TYR 250 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1s58 n GLU 251 N 0.30 1.92 -0.05 -3.48 1.02 0.33 -4.87 120.64 115.81 1s58 n GLU 251 Ca 0.00 -3.52 -0.03 0.00 -0.02 0.00 0.00 57.16 53.59 1s58 n GLU 251 Cb 0.17 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1s58 n GLU 251 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1s58 n MET 252 N -0.56 0.29 0.00 3.49 2.81 -1.23 -4.53 117.12 117.39 1s58 n MET 252 Ca 0.13 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1s58 n MET 252 Cb 0.85 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 1s58 n MET 252 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1s58 n TYR 253 N -3.76 0.00 -1.53 2.03 0.18 -1.26 -4.50 117.16 108.32 1s58 n TYR 253 Ca -0.05 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.58 1s58 n TYR 253 Cb 0.19 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.03 1s58 n TYR 253 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1s58 n ASN 254 N 0.00 0.80 -0.53 9.48 0.23 -1.26 -4.77 115.26 119.21 1s58 n ASN 254 Ca 0.00 -1.28 0.43 0.00 -0.53 0.00 0.00 54.58 53.21 1s58 n ASN 254 Cb 0.00 -1.33 0.74 0.00 -2.08 0.00 0.00 39.78 37.11 1s58 n ASN 254 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1s58 h PRO 255 N 12.11 0.04 -0.66 -0.53 0.11 -1.97 -0.39 132.00 140.72 1s58 h PRO 255 Ca 0.01 -0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.64 1s58 h PRO 255 Cb 1.04 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 31.76 1s58 h PRO 255 CO 1.18 0.03 -0.79 1.28 -0.21 0.00 0.00 178.00 179.48 1s58 n LEU 256 N -4.26 4.60 -3.76 2.35 4.77 -1.26 -4.49 117.00 114.95 1s58 n LEU 256 Ca 0.38 -4.61 -0.10 0.00 -0.03 0.00 0.00 56.01 51.64 1s58 n LEU 256 Cb 1.63 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 42.31 1s58 n LEU 256 CO 0.35 2.01 0.02 -0.31 -1.33 0.00 0.00 177.39 178.13 1s58 s TYR 257 N -3.55 -0.03 -0.26 -1.77 1.51 -0.16 -4.34 117.35 108.76 1s58 s TYR 257 Ca 0.49 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.97 1s58 s TYR 257 Cb 0.40 0.09 0.01 0.00 -0.11 0.00 0.00 41.96 42.35 1s58 s TYR 257 CO 0.03 -0.59 1.02 0.20 -1.11 0.00 0.00 175.55 175.09 1s58 s GLY 258 N -2.67 1.67 0.00 0.71 0.00 -1.26 -4.68 107.32 101.09 1s58 s GLY 258 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1s58 s GLY 258 CO -0.10 2.15 0.00 -1.26 0.00 0.00 0.00 173.10 173.89 1s58 n SER 259 N 6.42 -1.58 0.00 1.64 2.88 -1.26 -4.95 113.62 116.77 1s58 n SER 259 Ca 0.11 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1s58 n SER 259 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1s58 n SER 259 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1s58 n ARG 260 N -1.58 0.00 -3.25 -1.46 3.00 -1.26 -4.69 116.66 107.42 1s58 n ARG 260 Ca 0.00 0.15 0.04 0.00 -0.01 0.00 0.00 57.85 58.03 1s58 n ARG 260 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 32.46 31.38 1s58 n ARG 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1s58 s LEU 261 N -1.92 -0.78 0.88 0.55 1.43 -1.26 -4.83 118.68 112.74 1s58 s LEU 261 Ca 0.00 0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1s58 s LEU 261 Cb 0.00 1.72 0.18 0.00 0.03 0.00 0.00 46.19 48.13 1s58 s LEU 261 CO 0.00 -0.15 1.20 -0.83 0.23 0.00 0.00 176.35 176.80 1s58 s GLY 262 N 2.79 1.78 -0.35 -3.19 0.00 -0.68 -4.96 107.32 102.71 1s58 s GLY 262 Ca 0.04 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.21 1s58 s GLY 262 CO -0.16 -0.77 0.13 0.14 0.00 0.00 0.00 173.10 172.44 1s58 s VAL 263 N -3.61 3.87 -0.03 1.40 1.01 -1.26 -3.90 120.40 117.88 1s58 s VAL 263 Ca 0.72 -1.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1s58 s VAL 263 Cb -0.04 -3.21 -0.21 0.00 0.00 0.00 0.00 36.38 32.92 1s58 s VAL 263 CO 0.50 -0.22 1.24 -0.65 0.00 0.00 0.00 175.10 175.96 1s58 h PRO 264 N 8.25 0.01 0.00 2.72 0.11 -1.87 -3.48 132.00 137.73 1s58 h PRO 264 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1s58 h PRO 264 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s58 h PRO 264 CO 0.62 0.52 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1s58 n ASP 265 N -4.84 0.00 0.00 -2.05 5.75 -1.26 -5.04 116.55 109.12 1s58 n ASP 265 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1s58 n ASP 265 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1s58 n ASP 265 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1s58 n THR 266 N 0.00 0.00 -4.34 2.12 -2.24 -1.26 -4.92 114.28 103.63 1s58 n THR 266 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1s58 n THR 266 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1s58 n THR 266 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1s58 s LEU 267 N 0.00 2.96 0.00 3.22 0.05 -1.26 -4.64 118.68 119.01 1s58 s LEU 267 Ca 0.00 -0.73 0.00 0.00 0.05 0.00 0.00 54.13 53.45 1s58 s LEU 267 Cb 0.00 -1.53 0.00 0.00 -2.05 0.00 0.00 46.19 42.61 1s58 s LEU 267 CO 0.00 0.04 0.00 0.61 -0.55 0.00 0.00 176.35 176.45 1s58 n GLY 268 N -0.52 0.78 2.71 -3.48 0.00 -1.26 -4.33 105.19 99.09 1s58 n GLY 268 Ca -0.08 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1s58 n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s58 n GLY 269 N 0.00 4.59 2.90 -0.02 0.00 -1.26 -5.02 105.19 106.38 1s58 n GLY 269 Ca 0.00 -2.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.05 1s58 n GLY 269 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s58 s ASP 270 N -1.81 2.29 0.60 1.61 -4.77 -1.26 -4.78 116.67 108.54 1s58 s ASP 270 Ca 0.34 -0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 1s58 s ASP 270 Cb 0.06 -0.85 0.00 0.00 -1.09 0.00 0.00 42.92 41.04 1s58 s ASP 270 CO -0.05 -0.13 0.00 -2.65 0.70 0.00 0.00 175.17 173.04 1s58 n PRO 271 N 4.93 -0.63 -3.03 2.11 -0.02 -1.26 -4.92 135.00 132.18 1s58 n PRO 271 Ca -0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.18 1s58 n PRO 271 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1s58 n PRO 271 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s58 n LYS 272 N -1.20 0.68 -1.46 -0.52 4.76 -1.26 -4.21 118.16 114.95 1s58 n LYS 272 Ca 0.00 -2.65 -0.50 0.00 -2.87 0.00 0.00 58.31 52.30 1s58 n LYS 272 Cb 0.00 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 31.77 1s58 n LYS 272 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1s58 n PHE 273 N 1.69 1.63 0.00 2.13 7.35 -1.25 -4.59 117.46 124.42 1s58 n PHE 273 Ca 0.17 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1s58 n PHE 273 Cb 0.56 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.84 1s58 n PHE 273 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1s58 n ARG 274 N 8.27 0.00 -3.64 -4.13 1.85 -1.26 -1.69 116.66 116.05 1s58 n ARG 274 Ca 0.40 0.01 -0.03 0.00 -1.00 0.00 0.00 57.85 57.23 1s58 n ARG 274 Cb 0.25 -0.52 -0.06 0.00 -1.05 0.00 0.00 32.46 31.08 1s58 n ARG 274 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1s58 s SER 275 N -2.30 -0.07 -0.14 2.89 0.01 -1.26 -2.29 113.70 110.54 1s58 s SER 275 Ca 0.00 0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 1s58 s SER 275 Cb 0.00 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 1s58 s SER 275 CO 0.00 -0.04 1.55 -0.76 0.41 0.00 0.00 173.24 174.41 1s58 s LEU 276 N -0.24 4.14 0.24 2.44 1.43 -1.21 -4.65 118.68 120.84 1s58 s LEU 276 Ca 0.07 1.90 -0.32 0.00 -1.03 0.00 0.00 54.13 54.76 1s58 s LEU 276 Cb -0.04 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.52 1s58 s LEU 276 CO -0.13 -1.01 1.59 0.41 0.23 0.00 0.00 176.35 177.45 1s58 n THR 277 N 5.78 0.54 0.00 5.49 -1.04 -1.26 -0.33 114.28 123.46 1s58 n THR 277 Ca 0.17 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1s58 n THR 277 Cb 0.44 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1s58 n THR 277 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1s58 n HIS 278 N 2.84 0.00 -3.43 -1.42 -0.00 -1.26 -4.91 115.22 107.04 1s58 n HIS 278 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.80 1s58 n HIS 278 Cb 0.34 -0.13 0.01 0.00 -0.00 0.00 0.00 29.99 30.20 1s58 n HIS 278 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1s58 n GLU 279 N -1.97 0.49 -1.16 1.57 0.28 0.56 -4.95 120.64 115.46 1s58 n GLU 279 Ca 0.00 -1.06 0.00 0.00 -0.16 0.00 0.00 57.16 55.94 1s58 n GLU 279 Cb 0.00 1.26 0.00 0.00 1.43 0.00 0.00 31.44 34.13 1s58 n GLU 279 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1s58 n ASP 280 N -1.35 -0.64 0.27 -1.84 3.85 -1.26 -3.31 116.55 112.26 1s58 n ASP 280 Ca -0.03 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.09 1s58 n ASP 280 Cb 0.27 -0.28 0.21 0.00 -1.35 0.00 0.00 41.12 39.97 1s58 n ASP 280 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1s58 h HIS 281 N 0.00 0.00 -0.44 2.11 3.86 -1.92 0.75 115.15 119.51 1s58 h HIS 281 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1s58 h HIS 281 Cb 0.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1s58 h HIS 281 CO 0.00 0.00 -0.06 0.00 0.86 0.00 0.00 177.93 178.73 1s58 h ALA 282 N 0.42 1.08 -3.00 2.45 0.00 -2.01 -3.37 119.26 114.82 1s58 h ALA 282 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1s58 h ALA 282 Cb 1.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s58 h ALA 282 CO 0.00 0.57 0.00 -0.89 0.00 0.00 0.00 179.25 178.93 1s58 n ILE 283 N -4.19 0.00 -3.82 0.00 2.08 0.26 -4.86 119.36 108.83 1s58 n ILE 283 Ca 0.02 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.04 1s58 n ILE 283 Cb 0.33 -0.30 0.01 0.00 -0.75 0.00 0.00 39.64 38.93 1s58 n ILE 283 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1s58 n GLN 284 N 0.00 -1.20 -1.10 0.38 -0.06 -1.25 -4.47 117.38 109.68 1s58 n GLN 284 Ca 0.00 0.62 -0.48 0.00 -2.00 0.00 0.00 57.00 55.14 1s58 n GLN 284 Cb 0.00 -2.61 -0.11 0.00 -4.06 0.00 0.00 30.24 23.46 1s58 n GLN 284 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1s58 n PRO 285 N -3.24 0.00 -1.71 3.69 -0.02 -1.26 -4.84 135.00 127.62 1s58 n PRO 285 Ca -0.24 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.91 1s58 n PRO 285 Cb 0.65 -1.27 0.05 0.00 -0.02 0.00 0.00 33.50 32.91 1s58 n PRO 285 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s58 s GLN 286 N 5.58 2.78 0.00 -0.52 -1.52 -1.26 -4.94 119.66 119.78 1s58 s GLN 286 Ca 1.04 1.33 0.26 0.00 -1.95 0.00 0.00 55.36 56.04 1s58 s GLN 286 Cb -1.23 -1.95 0.64 0.00 -0.22 0.00 0.00 33.01 30.25 1s58 s GLN 286 CO 0.53 -1.25 1.50 -1.71 -0.25 0.00 0.00 175.29 174.11 1s58 n ASN 287 N -2.55 0.58 0.00 5.90 2.85 -1.26 -4.93 115.26 115.86 1s58 n ASN 287 Ca 0.10 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1s58 n ASN 287 Cb 0.52 0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.70 1s58 n ASN 287 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1s58 n PHE 288 N -1.29 0.00 0.00 1.20 3.01 -1.26 -5.06 117.46 114.06 1s58 n PHE 288 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1s58 n PHE 288 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1s58 n PHE 288 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s58 n MET 289 N 0.00 0.00 -0.99 -1.08 0.00 -1.16 -5.00 117.12 108.89 1s58 n MET 289 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 1s58 n MET 289 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 1s58 n MET 289 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1s58 n PRO 290 N 0.00 -0.03 -0.33 3.17 -0.02 -1.26 -4.22 135.00 132.32 1s58 n PRO 290 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1s58 n PRO 290 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1s58 n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s58 n GLY 291 N 3.40 4.42 1.22 -1.23 0.00 -1.25 -4.86 105.19 106.88 1s58 n GLY 291 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1s58 n GLY 291 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s58 n PRO 292 N 0.00 -0.17 -4.29 1.61 -0.02 -1.12 -4.90 135.00 126.10 1s58 n PRO 292 Ca 0.00 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 1s58 n PRO 292 Cb 0.00 -0.28 -0.16 0.00 -0.02 0.00 0.00 33.50 33.03 1s58 n PRO 292 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s58 s LEU 293 N -0.22 1.47 -0.36 2.45 2.01 -0.99 -4.27 118.68 118.77 1s58 s LEU 293 Ca 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 54.13 53.97 1s58 s LEU 293 Cb 0.00 -0.54 0.15 0.00 0.01 0.00 0.00 46.19 45.80 1s58 s LEU 293 CO 0.00 -0.02 0.24 -0.69 1.01 0.00 0.00 176.35 176.89 1s58 s VAL 294 N 0.75 0.11 0.00 -1.59 1.01 -1.25 -3.40 120.40 116.04 1s58 s VAL 294 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1s58 s VAL 294 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1s58 s VAL 294 CO 0.01 -0.98 0.00 -3.20 0.00 0.00 0.00 175.10 170.93 1s58 n ASN 295 N 3.91 0.00 -3.84 3.32 5.15 0.68 -4.94 115.26 119.53 1s58 n ASN 295 Ca 0.14 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 1s58 n ASN 295 Cb 0.39 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.63 1s58 n ASN 295 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1s58 n SER 296 N 3.75 -3.72 -4.79 1.20 2.88 -1.26 -3.28 113.62 108.39 1s58 n SER 296 Ca 0.00 -0.73 -0.37 0.00 -1.33 0.00 0.00 58.87 56.44 1s58 n SER 296 Cb 0.00 -3.04 -0.07 0.00 -0.75 0.00 0.00 64.21 60.35 1s58 n SER 296 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s58 s VAL 297 N -3.14 5.30 1.02 2.46 1.01 -1.26 -2.12 120.40 123.67 1s58 s VAL 297 Ca 0.60 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 1s58 s VAL 297 Cb -0.32 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1s58 s VAL 297 CO 0.74 0.49 -0.39 -1.54 0.00 0.00 0.00 175.10 174.41 1s58 n SER 298 N 2.79 -3.35 -4.67 3.32 3.41 -1.26 -2.94 113.62 110.91 1s58 n SER 298 Ca -0.15 0.11 -0.47 0.00 -0.26 0.00 0.00 58.87 58.11 1s58 n SER 298 Cb 0.53 -0.89 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 1s58 n SER 298 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1s58 n THR 299 N -3.51 0.63 -0.03 6.66 -2.24 -1.26 -4.26 114.28 110.28 1s58 n THR 299 Ca 0.01 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1s58 n THR 299 Cb 0.61 -2.01 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 1s58 n THR 299 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s58 n LYS 300 N 6.97 3.00 -0.27 -0.78 4.76 -1.26 -4.95 118.16 125.62 1s58 n LYS 300 Ca 0.22 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1s58 n LYS 300 Cb 0.33 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1s58 n LYS 300 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1s58 n THR 314 N -2.19 0.00 -1.69 -0.18 -1.04 -1.26 -5.12 114.28 102.81 1s58 n THR 314 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1s58 n THR 314 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1s58 n THR 314 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s58 n GLY 315 N -1.30 0.00 2.74 3.41 0.00 -1.26 -4.99 105.19 103.80 1s58 n GLY 315 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1s58 n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s58 s LEU 316 N 0.00 0.01 -0.10 0.99 1.43 -1.26 -4.95 118.68 114.79 1s58 s LEU 316 Ca 0.00 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1s58 s LEU 316 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1s58 s LEU 316 CO 0.00 -0.31 0.03 -1.20 0.23 0.00 0.00 176.35 175.10 1s58 n SER 317 N 5.31 -0.16 -4.30 2.29 7.64 -1.26 -4.58 113.62 118.57 1s58 n SER 317 Ca -0.06 -0.10 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 1s58 n SER 317 Cb 0.49 -0.12 -0.16 0.00 -1.01 0.00 0.00 64.21 63.41 1s58 n SER 317 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1s58 s THR 318 N -4.16 2.19 0.96 0.44 -1.32 -1.26 -4.85 115.64 107.64 1s58 s THR 318 Ca 0.02 -1.03 -0.12 0.00 -1.21 0.00 0.00 61.69 59.35 1s58 s THR 318 Cb -0.01 -1.80 0.17 0.00 -1.51 0.00 0.00 72.50 69.35 1s58 s THR 318 CO 0.08 0.57 1.12 -0.83 -2.21 0.00 0.00 174.62 173.35 1s58 s GLY 319 N -0.27 1.57 0.00 6.08 0.00 -1.26 -4.88 107.32 108.56 1s58 s GLY 319 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1s58 s GLY 319 CO 0.03 0.13 0.00 2.41 0.00 0.00 0.00 173.10 175.66 1s58 n THR 320 N -3.98 0.00 0.00 0.90 -1.04 -1.26 -4.23 114.28 104.66 1s58 n THR 320 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1s58 n THR 320 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1s58 n THR 320 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1s58 n SER 321 N 0.00 0.00 -2.82 8.00 7.64 -1.26 -4.98 113.62 120.20 1s58 n SER 321 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1s58 n SER 321 Cb 0.00 0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 1s58 n SER 321 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s58 n GLN 322 N -1.09 1.66 -1.54 1.43 6.02 -1.26 -5.00 117.38 117.60 1s58 n GLN 322 Ca 0.00 -3.38 -0.01 0.00 -0.01 0.00 0.00 57.00 53.60 1s58 n GLN 322 Cb 0.00 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.77 1s58 n GLN 322 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1s58 n ASN 323 N -0.60 -0.52 -0.53 1.08 3.02 -1.26 -4.27 115.26 112.19 1s58 n ASN 323 Ca 0.06 0.18 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 1s58 n ASN 323 Cb 0.81 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1s58 n ASN 323 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1s58 n THR 324 N -1.57 0.00 -2.29 3.41 -1.04 -1.26 -4.88 114.28 106.64 1s58 n THR 324 Ca -0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1s58 n THR 324 Cb 0.19 0.10 0.03 0.00 -1.82 0.00 0.00 70.33 68.84 1s58 n THR 324 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s58 n ARG 325 N 0.00 0.16 0.00 -2.82 5.12 -1.26 -4.34 116.66 113.52 1s58 n ARG 325 Ca -0.06 -1.91 0.00 0.00 -1.93 0.00 0.00 57.85 53.95 1s58 n ARG 325 Cb 0.45 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 1s58 n ARG 325 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1s58 n ILE 326 N 0.22 0.00 0.00 0.55 5.41 -1.26 -4.50 119.36 119.78 1s58 n ILE 326 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1s58 n ILE 326 Cb 1.01 -0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 1s58 n ILE 326 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1s58 n SER 327 N 0.00 0.00 -1.20 4.38 7.64 -1.26 -4.66 113.62 118.52 1s58 n SER 327 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1s58 n SER 327 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1s58 n SER 327 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1s58 n LEU 328 N 0.00 0.00 0.00 -3.43 0.00 -1.26 -4.43 117.00 107.88 1s58 n LEU 328 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1s58 n LEU 328 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1s58 n LEU 328 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.28 1s58 n ARG 329 N 0.00 0.00 0.00 1.96 1.85 -1.26 -4.84 116.66 114.37 1s58 n ARG 329 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1s58 n ARG 329 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1s58 n ARG 329 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1s58 n PRO 330 N 0.00 0.40 -0.96 2.89 -0.02 -1.26 -4.68 135.00 131.37 1s58 n PRO 330 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1s58 n PRO 330 Cb 0.00 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1s58 n PRO 330 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s58 n GLY 331 N 0.01 -2.30 3.63 -1.23 0.00 -1.26 -4.66 105.19 99.37 1s58 n GLY 331 Ca 0.00 -1.24 -0.48 0.00 0.00 0.00 0.00 46.02 44.30 1s58 n GLY 331 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s58 n PRO 332 N -3.62 1.61 0.00 1.61 -0.02 -1.26 -4.82 135.00 128.50 1s58 n PRO 332 Ca -0.02 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1s58 n PRO 332 Cb 0.44 -2.20 0.31 0.00 -0.02 0.00 0.00 33.50 32.03 1s58 n PRO 332 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1s58 n VAL 333 N 2.20 0.57 -0.31 -1.45 0.31 -1.26 -1.96 118.33 116.43 1s58 n VAL 333 Ca 0.15 0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.58 1s58 n VAL 333 Cb 0.26 -0.95 0.08 0.00 -0.91 0.00 0.00 33.84 32.32 1s58 n VAL 333 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1s58 h SER 334 N 0.00 0.96 -1.39 4.52 4.64 -1.83 -3.22 113.55 117.23 1s58 h SER 334 Ca 0.00 -0.03 -0.46 0.00 -0.47 0.00 0.00 61.79 60.83 1s58 h SER 334 Cb 0.09 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1s58 h SER 334 CO 0.00 0.70 -0.30 -1.10 -0.87 0.00 0.00 176.83 175.26 1s58 s GLN 335 N -6.12 2.65 0.00 4.77 -0.21 -0.83 -4.66 119.66 115.26 1s58 s GLN 335 Ca -0.13 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 53.83 1s58 s GLN 335 Cb 0.16 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1s58 s GLN 335 CO 0.79 -0.30 0.00 -0.35 -2.12 0.00 0.00 175.29 173.31 1s58 n PRO 336 N -1.76 3.93 -2.38 2.91 -0.04 -1.26 -4.60 135.00 131.80 1s58 n PRO 336 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1s58 n PRO 336 Cb 0.60 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.08 1s58 n PRO 336 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s58 n TYR 337 N 0.00 -0.65 0.00 0.54 0.18 -1.26 -4.89 117.16 111.08 1s58 n TYR 337 Ca 0.00 -0.75 0.00 0.00 1.88 0.00 0.00 57.90 59.03 1s58 n TYR 337 Cb 0.00 1.10 0.00 0.00 -0.38 0.00 0.00 39.34 40.06 1s58 n TYR 337 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1s58 n HIS 338 N -0.50 0.00 0.00 -3.48 -0.00 -1.26 -4.60 115.22 105.38 1s58 n HIS 338 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1s58 n HIS 338 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 1s58 n HIS 338 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1s58 n HIS 339 N -0.74 0.00 -4.00 1.57 1.44 -1.22 -4.63 115.22 107.63 1s58 n HIS 339 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1s58 n HIS 339 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 1s58 n HIS 339 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1s58 s TRP 340 N -2.25 2.89 0.25 -1.40 1.48 -1.25 -0.82 118.94 117.83 1s58 s TRP 340 Ca 0.00 -1.31 -0.05 0.00 -1.06 0.00 0.00 56.10 53.68 1s58 s TRP 340 Cb 0.00 -2.02 0.28 0.00 -1.16 0.00 0.00 33.47 30.57 1s58 s TRP 340 CO 0.00 -0.68 1.82 0.22 -4.06 0.00 0.00 176.95 174.25 1s58 h ASP 341 N 8.03 0.97 -0.03 -2.66 1.82 -1.94 -3.42 116.42 119.18 1s58 h ASP 341 Ca -0.42 -0.14 0.27 0.00 -0.39 0.00 0.00 57.03 56.34 1s58 h ASP 341 Cb 1.15 -0.25 -0.18 0.00 0.68 0.00 0.00 39.33 40.72 1s58 h ASP 341 CO 0.62 0.87 0.09 0.42 -1.61 0.00 0.00 179.24 179.62 1s58 s THR 342 N -5.47 -0.03 0.00 2.25 -4.23 -1.26 -4.97 115.64 101.93 1s58 s THR 342 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1s58 s THR 342 Cb 0.16 -0.03 0.00 0.00 1.34 0.00 0.00 72.50 73.97 1s58 s THR 342 CO 0.82 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 175.37 1s58 n ASP 343 N 4.98 0.00 -4.55 3.99 8.00 -1.26 -4.89 116.55 122.82 1s58 n ASP 343 Ca 0.11 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 1s58 n ASP 343 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1s58 n ASP 343 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1s58 s LYS 344 N 0.00 3.45 -1.20 -1.24 -2.85 -1.26 -4.98 119.74 111.65 1s58 s LYS 344 Ca 0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 55.97 54.75 1s58 s LYS 344 Cb 0.00 -3.92 0.11 0.00 -2.06 0.00 0.00 37.83 31.95 1s58 s LYS 344 CO 0.00 -1.10 1.55 0.71 0.10 0.00 0.00 175.35 176.62 1s58 s TYR 345 N 3.29 3.02 0.98 1.78 1.51 -1.25 -2.92 117.35 123.76 1s58 s TYR 345 Ca 0.30 -1.69 -0.14 0.00 -1.01 0.00 0.00 57.07 54.54 1s58 s TYR 345 Cb -0.12 -4.56 0.13 0.00 -0.11 0.00 0.00 41.96 37.30 1s58 s TYR 345 CO 0.22 -1.66 0.16 0.28 -1.11 0.00 0.00 175.55 173.44 1s58 n VAL 346 N 5.79 0.00 -1.83 0.71 0.31 -0.00 -4.72 118.33 118.58 1s58 n VAL 346 Ca 0.41 -0.06 -0.02 0.00 -0.01 0.00 0.00 64.34 64.65 1s58 n VAL 346 Cb 0.46 -0.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.92 1s58 n VAL 346 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1s58 n THR 347 N -4.26 0.00 -0.29 2.52 -1.04 -1.26 -3.95 114.28 106.00 1s58 n THR 347 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1s58 n THR 347 Cb 0.38 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1s58 n THR 347 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s58 n GLY 348 N 0.00 0.00 7.00 3.41 0.00 -1.26 -4.41 105.19 109.93 1s58 n GLY 348 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1s58 n GLY 348 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s58 n ILE 349 N -0.11 0.00 0.00 -0.61 5.41 -1.15 -4.10 119.36 118.79 1s58 n ILE 349 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1s58 n ILE 349 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1s58 n ILE 349 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1s58 n ASN 350 N -3.81 0.00 0.00 4.38 3.02 -1.26 -4.76 115.26 112.83 1s58 n ASN 350 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1s58 n ASN 350 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1s58 n ASN 350 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s58 n ALA 351 N 4.33 0.00 0.00 5.41 0.00 -1.26 -4.88 120.51 124.11 1s58 n ALA 351 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s58 n ALA 351 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1s58 n ALA 351 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1s58 n ILE 352 N 0.00 0.00 -4.24 0.00 3.06 -1.26 -4.61 119.36 112.32 1s58 n ILE 352 Ca 0.00 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.94 1s58 n ILE 352 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 1s58 n ILE 352 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1s58 s SER 353 N 0.00 4.96 -0.85 9.51 0.15 -1.26 -4.24 113.70 121.98 1s58 s SER 353 Ca 0.00 -0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.34 1s58 s SER 353 Cb 0.00 -1.21 0.14 0.00 -1.71 0.00 0.00 66.02 63.24 1s58 s SER 353 CO 0.00 0.23 1.00 -1.00 1.20 0.00 0.00 173.24 174.66 1s58 s HIS 354 N -1.18 3.20 0.13 3.44 3.76 -1.23 -4.79 115.29 118.62 1s58 s HIS 354 Ca 0.22 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.73 1s58 s HIS 354 Cb -0.12 -4.16 0.00 0.00 1.11 0.00 0.00 32.58 29.41 1s58 s HIS 354 CO 0.14 -1.38 0.00 0.41 -0.85 0.00 0.00 174.74 173.06 1s58 n GLY 355 N 5.16 -5.41 3.64 -2.22 0.00 -1.26 -4.84 105.19 100.26 1s58 n GLY 355 Ca 0.16 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1s58 n GLY 355 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s58 s GLN 356 N -0.54 4.05 -1.00 1.61 1.03 -1.26 -4.61 119.66 118.94 1s58 s GLN 356 Ca 0.00 1.30 -0.29 0.00 0.04 0.00 0.00 55.36 56.41 1s58 s GLN 356 Cb 0.00 -3.80 -0.23 0.00 0.03 0.00 0.00 33.01 29.01 1s58 s GLN 356 CO 0.00 -0.94 2.63 2.41 -2.54 0.00 0.00 175.29 176.86 1s58 n THR 357 N 5.87 0.00 -4.34 3.63 -1.04 -1.24 -4.89 114.28 112.27 1s58 n THR 357 Ca 0.14 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.05 61.84 1s58 n THR 357 Cb 0.46 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 1s58 n THR 357 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1s58 s THR 358 N 8.05 2.96 -0.89 12.58 -4.23 -1.26 -4.89 115.64 127.96 1s58 s THR 358 Ca 1.35 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1s58 s THR 358 Cb -1.21 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 70.48 1s58 s THR 358 CO 0.50 -0.19 1.81 -1.22 -0.54 0.00 0.00 174.62 174.97 1s58 n TYR 359 N -0.16 2.99 0.00 3.99 4.02 -1.26 -4.66 117.16 122.08 1s58 n TYR 359 Ca -0.10 -2.60 0.00 0.00 -0.01 0.00 0.00 57.90 55.20 1s58 n TYR 359 Cb 0.57 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1s58 n TYR 359 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s58 n GLY 360 N -0.29 0.43 3.02 2.72 0.00 -1.26 -4.68 105.19 105.12 1s58 n GLY 360 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 1s58 n GLY 360 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s58 s ASN 361 N -2.13 2.13 -0.99 1.61 0.01 -1.26 -5.09 114.94 109.22 1s58 s ASN 361 Ca 0.00 -0.35 -0.17 0.00 -0.71 0.00 0.00 52.86 51.63 1s58 s ASN 361 Cb 0.00 -0.94 0.15 0.00 0.41 0.00 0.00 41.25 40.87 1s58 s ASN 361 CO 0.00 0.00 1.17 0.00 -1.51 0.00 0.00 177.10 176.76 1s58 s ALA 362 N 0.97 3.59 -0.23 0.60 0.00 -1.26 -4.72 121.76 120.72 1s58 s ALA 362 Ca -0.08 -2.97 -0.14 0.00 0.00 0.00 0.00 51.96 48.77 1s58 s ALA 362 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1s58 s ALA 362 CO -0.00 -2.87 0.34 -1.21 0.00 0.00 0.00 175.76 172.01 1s58 s GLU 363 N 2.16 4.10 0.59 0.00 2.02 -1.26 -4.96 118.70 121.35 1s58 s GLU 363 Ca 0.34 0.04 0.33 0.00 0.02 0.00 0.00 54.97 55.70 1s58 s GLU 363 Cb -0.05 -3.57 1.31 0.00 0.10 0.00 0.00 34.13 31.92 1s58 s GLU 363 CO -0.07 -0.09 1.60 -0.44 0.02 0.00 0.00 175.26 176.27 1s58 h ASP 364 N 7.65 0.00 -3.20 -0.19 3.32 -2.02 -3.36 116.42 118.62 1s58 h ASP 364 Ca -0.35 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.07 1s58 h ASP 364 Cb 1.16 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.36 1s58 h ASP 364 CO 0.68 0.00 -0.84 -0.54 -1.72 0.00 0.00 179.24 176.82 1s58 s LYS 365 N -4.63 2.46 -0.28 3.56 1.02 -1.26 -5.07 119.74 115.54 1s58 s LYS 365 Ca -0.04 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 1s58 s LYS 365 Cb 0.18 -2.35 0.16 0.00 -0.52 0.00 0.00 37.83 35.30 1s58 s LYS 365 CO 0.61 -0.28 0.53 -1.21 -0.92 0.00 0.00 175.35 174.08 1s58 s GLU 366 N 1.39 0.49 0.00 1.68 0.41 -1.26 -5.17 118.70 116.24 1s58 s GLU 366 Ca 0.03 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 1s58 s GLU 366 Cb -0.14 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1s58 s GLU 366 CO -0.11 -0.54 0.00 2.48 -0.49 0.00 0.00 175.26 176.60 1s58 n TYR 367 N 5.41 -0.96 -0.43 1.61 0.18 -1.26 -4.40 117.16 117.31 1s58 n TYR 367 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 1s58 n TYR 367 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1s58 n TYR 367 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1s58 n GLN 368 N -0.16 0.00 -3.86 -3.48 1.13 -1.26 -4.82 117.38 104.93 1s58 n GLN 368 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1s58 n GLN 368 Cb 0.00 -0.43 -0.17 0.00 0.11 0.00 0.00 30.24 29.75 1s58 n GLN 368 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1s58 s GLN 369 N 2.06 1.28 -0.59 -1.09 -1.52 -1.26 -4.98 119.66 113.56 1s58 s GLN 369 Ca 0.00 -0.34 -0.08 0.00 -1.95 0.00 0.00 55.36 52.99 1s58 s GLN 369 Cb 0.00 -1.73 0.01 0.00 -0.22 0.00 0.00 33.01 31.07 1s58 s GLN 369 CO 0.00 -0.38 0.50 0.41 -0.25 0.00 0.00 175.29 175.57 1s58 n GLY 370 N 4.95 -0.75 3.69 3.09 0.00 -1.24 -3.67 105.19 111.25 1s58 n GLY 370 Ca -0.11 0.61 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 1s58 n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s58 s VAL 371 N -2.38 3.74 0.00 1.61 1.01 -1.26 -3.56 120.40 119.55 1s58 s VAL 371 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1s58 s VAL 371 Cb -0.01 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1s58 s VAL 371 CO 0.72 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1s58 n GLY 372 N -0.77 0.00 0.00 4.51 0.00 -1.26 -3.74 105.19 103.93 1s58 n GLY 372 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1s58 n GLY 372 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s58 n ARG 373 N 0.00 0.00 -3.68 1.61 0.00 -1.26 -1.31 116.66 112.01 1s58 n ARG 373 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1s58 n ARG 373 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.37 1s58 n ARG 373 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1s58 s PHE 374 N -3.51 3.48 1.05 2.89 -0.71 -1.26 -3.46 117.98 116.46 1s58 s PHE 374 Ca 0.00 -2.72 -0.15 0.00 -1.04 0.00 0.00 56.93 53.03 1s58 s PHE 374 Cb 0.00 -3.24 0.11 0.00 -1.21 0.00 0.00 43.02 38.68 1s58 s PHE 374 CO 0.00 -0.83 0.41 -2.30 -1.34 0.00 0.00 175.22 171.16 1s58 n PRO 375 N 3.35 -1.16 -0.00 1.99 -0.02 -1.26 -4.93 135.00 132.96 1s58 n PRO 375 Ca 0.10 -0.31 0.09 0.00 -2.02 0.00 0.00 63.50 61.36 1s58 n PRO 375 Cb 0.38 -1.89 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1s58 n PRO 375 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s58 n ASN 376 N -2.30 0.80 -0.26 2.55 5.03 -1.26 -4.06 115.26 115.75 1s58 n ASN 376 Ca 0.04 -0.52 0.07 0.00 0.87 0.00 0.00 54.58 55.05 1s58 n ASN 376 Cb 0.57 1.38 0.20 0.00 -1.02 0.00 0.00 39.78 40.91 1s58 n ASN 376 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1s58 h GLU 377 N 0.00 0.22 0.02 3.52 5.08 -1.92 0.89 114.58 122.39 1s58 h GLU 377 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1s58 h GLU 377 Cb 0.62 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1s58 h GLU 377 CO 0.00 0.14 -0.46 -0.22 -1.00 0.00 0.00 179.01 177.47 1s58 h LYS 378 N 0.22 -0.60 -0.11 2.33 3.64 -1.90 0.39 116.57 120.54 1s58 h LYS 378 Ca 0.45 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.90 1s58 h LYS 378 Cb 0.81 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1s58 h LYS 378 CO -0.58 -0.40 0.58 0.93 -2.27 0.00 0.00 179.45 177.71 1s58 h GLU 379 N -0.63 0.00 -0.64 1.90 5.08 0.47 0.29 114.58 121.06 1s58 h GLU 379 Ca 0.03 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.95 1s58 h GLU 379 Cb 0.69 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.64 1s58 h GLU 379 CO -0.32 0.00 -0.38 1.04 -1.00 0.00 0.00 179.01 178.35 1s58 n GLN 380 N -2.91 2.92 -2.70 2.33 1.13 0.13 -4.62 117.38 113.66 1s58 n GLN 380 Ca 0.01 -3.76 -0.01 0.00 -1.94 0.00 0.00 57.00 51.30 1s58 n GLN 380 Cb 0.64 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1s58 n GLN 380 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1s58 n LEU 381 N -0.86 -5.95 0.00 1.08 4.77 0.10 -4.82 117.00 111.32 1s58 n LEU 381 Ca 0.42 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1s58 n LEU 381 Cb 0.90 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 39.15 1s58 n LEU 381 CO 0.38 -1.06 -0.13 0.29 -1.33 0.00 0.00 177.39 175.54 1s58 n LYS 382 N -1.39 3.28 -0.08 3.23 4.76 -0.96 -4.90 118.16 122.09 1s58 n LYS 382 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1s58 n LYS 382 Cb 0.48 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1s58 n LYS 382 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1s58 n GLN 383 N -0.54 1.11 -1.70 1.97 -0.06 -1.26 -4.27 117.38 112.63 1s58 n GLN 383 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 1s58 n GLN 383 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 1s58 n GLN 383 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1s58 s LEU 384 N 0.00 3.37 0.07 1.69 0.05 -0.90 -4.89 118.68 118.08 1s58 s LEU 384 Ca 0.00 0.88 0.06 0.00 0.05 0.00 0.00 54.13 55.11 1s58 s LEU 384 Cb 0.00 -2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 41.57 1s58 s LEU 384 CO 0.00 -2.71 -0.15 -1.10 -0.55 0.00 0.00 176.35 171.83 1s58 s GLN 385 N 7.86 0.89 0.64 1.48 -1.52 -1.26 -4.99 119.66 122.76 1s58 s GLN 385 Ca 0.88 -0.97 -0.16 0.00 -1.95 0.00 0.00 55.36 53.17 1s58 s GLN 385 Cb -0.16 -0.95 -0.01 0.00 -0.22 0.00 0.00 33.01 31.67 1s58 s GLN 385 CO 0.25 0.22 1.12 0.20 -0.25 0.00 0.00 175.29 176.82 1s58 s GLY 386 N -1.70 2.26 -0.50 3.09 0.00 -1.26 -3.80 107.32 105.42 1s58 s GLY 386 Ca -0.00 0.62 0.06 0.00 0.00 0.00 0.00 44.72 45.40 1s58 s GLY 386 CO 0.02 0.97 0.52 1.04 0.00 0.00 0.00 173.10 175.65 1s58 n LEU 387 N -2.20 1.17 -0.25 0.66 7.99 -1.13 -4.86 117.00 118.39 1s58 n LEU 387 Ca 0.11 -4.84 -0.06 0.00 -0.01 0.00 0.00 56.01 51.20 1s58 n LEU 387 Cb 0.52 0.13 -0.06 0.00 -0.11 0.00 0.00 43.42 43.90 1s58 n LEU 387 CO 0.47 1.96 0.46 0.59 -1.51 0.00 0.00 177.39 179.36 1s58 n ASN 388 N 1.76 -0.62 0.00 -1.43 5.03 -1.26 -3.83 115.26 114.92 1s58 n ASN 388 Ca 0.25 1.40 0.00 0.00 0.87 0.00 0.00 54.58 57.11 1s58 n ASN 388 Cb 0.46 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1s58 n ASN 388 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1s58 n MET 389 N -4.33 -0.56 0.00 3.52 2.81 -1.26 -4.09 117.12 113.21 1s58 n MET 389 Ca 0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1s58 n MET 389 Cb 0.15 -4.59 0.00 0.00 -0.71 0.00 0.00 33.22 28.07 1s58 n MET 389 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s58 n HIS 390 N -1.96 0.00 0.00 2.03 8.25 -1.26 -4.75 115.22 117.53 1s58 n HIS 390 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s58 n HIS 390 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1s58 n HIS 390 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1s58 n THR 391 N 0.00 0.00 -1.60 1.59 -1.04 -1.20 -4.61 114.28 107.42 1s58 n THR 391 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1s58 n THR 391 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 1s58 n THR 391 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s58 n TYR 392 N 0.00 0.00 0.00 -1.42 0.18 -1.25 -4.92 117.16 109.74 1s58 n TYR 392 Ca 0.00 -0.22 0.00 0.00 1.88 0.00 0.00 57.90 59.56 1s58 n TYR 392 Cb 0.00 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 38.90 1s58 n TYR 392 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1s58 n PHE 393 N -0.31 0.00 -3.17 -3.48 0.99 -1.26 -5.16 117.46 105.07 1s58 n PHE 393 Ca 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.44 1s58 n PHE 393 Cb 0.64 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.13 1s58 n PHE 393 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1s58 n PRO 394 N 0.00 1.04 -3.07 -1.08 -0.04 -1.26 -5.04 135.00 125.55 1s58 n PRO 394 Ca 0.00 -0.61 -0.45 0.00 -0.04 0.00 0.00 63.50 62.40 1s58 n PRO 394 Cb 0.00 -0.01 -0.02 0.00 -0.04 0.00 0.00 33.50 33.43 1s58 n PRO 394 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1s58 s ASN 395 N -1.67 6.82 -0.43 3.54 0.01 -1.26 -4.38 114.94 117.58 1s58 s ASN 395 Ca 0.10 -2.55 -0.01 0.00 -0.71 0.00 0.00 52.86 49.68 1s58 s ASN 395 Cb -0.01 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1s58 s ASN 395 CO 0.06 -0.80 0.16 0.29 -1.51 0.00 0.00 177.10 175.31 1s58 n LYS 396 N 5.35 -1.33 -2.87 -0.60 5.02 -1.26 -3.82 118.16 118.65 1s58 n LYS 396 Ca 0.24 0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1s58 n LYS 396 Cb 0.46 -3.76 0.04 0.00 -0.02 0.00 0.00 35.03 31.75 1s58 n LYS 396 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s58 n GLY 397 N -0.96 0.17 0.06 0.72 0.00 -1.26 -4.95 105.19 98.97 1s58 n GLY 397 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1s58 n GLY 397 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s58 n THR 398 N -3.17 1.30 -1.96 2.61 -1.04 -1.25 -4.80 114.28 105.97 1s58 n THR 398 Ca -0.06 0.24 -0.43 0.00 -2.04 0.00 0.00 64.05 61.77 1s58 n THR 398 Cb 0.55 -2.32 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 1s58 n THR 398 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1s58 s GLN 399 N -2.16 3.25 0.00 -2.82 -0.21 -1.26 -4.86 119.66 111.61 1s58 s GLN 399 Ca -0.14 1.44 0.00 0.00 0.02 0.00 0.00 55.36 56.68 1s58 s GLN 399 Cb 0.02 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.80 1s58 s GLN 399 CO 0.21 -1.96 0.00 0.00 -2.12 0.00 0.00 175.29 171.42 1s58 n GLN 400 N 8.51 0.00 0.00 2.91 10.64 -1.26 -3.26 117.38 134.92 1s58 n GLN 400 Ca 0.24 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 1s58 n GLN 400 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.85 1s58 n GLN 400 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1s58 n TYR 401 N -0.71 0.00 -3.82 2.61 0.53 -1.26 -4.33 117.16 110.18 1s58 n TYR 401 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.59 1s58 n TYR 401 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.15 1s58 n TYR 401 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1s58 s THR 402 N -2.37 1.08 -0.48 -0.72 2.01 -1.26 -4.13 115.64 109.76 1s58 s THR 402 Ca 0.00 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1s58 s THR 402 Cb 0.00 -1.58 0.13 0.00 0.01 0.00 0.00 72.50 71.05 1s58 s THR 402 CO 0.00 -0.34 0.25 -1.81 -0.69 0.00 0.00 174.62 172.03 1s58 s ASP 403 N 1.57 4.87 0.03 3.53 1.01 -1.25 -4.82 116.67 121.60 1s58 s ASP 403 Ca 0.01 -2.57 0.15 0.00 0.71 0.00 0.00 52.55 50.86 1s58 s ASP 403 Cb -0.18 -1.74 -0.17 0.00 1.01 0.00 0.00 42.92 41.85 1s58 s ASP 403 CO -0.12 -0.37 0.77 0.00 0.21 0.00 0.00 175.17 175.66 1s58 n GLN 404 N 3.78 0.62 0.13 8.23 3.00 -1.25 -2.82 117.38 129.08 1s58 n GLN 404 Ca 0.04 0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 57.26 1s58 n GLN 404 Cb 0.38 -1.81 0.13 0.00 0.00 0.00 0.00 30.24 28.94 1s58 n GLN 404 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1s58 h ILE 405 N 0.00 1.47 -0.92 5.09 2.04 -1.85 -3.27 117.51 120.08 1s58 h ILE 405 Ca -0.20 -2.31 -0.54 0.00 1.00 0.00 0.00 64.86 62.81 1s58 h ILE 405 Cb 1.74 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 40.03 1s58 h ILE 405 CO 0.06 0.66 -0.30 -1.61 0.00 0.00 0.00 178.15 176.95 1s58 s GLU 406 N -3.47 2.34 0.00 2.37 0.41 -1.23 -0.23 118.70 118.89 1s58 s GLU 406 Ca -0.01 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 1s58 s GLU 406 Cb 0.12 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1s58 s GLU 406 CO 0.77 -0.51 0.00 -2.13 -0.49 0.00 0.00 175.26 172.90 1s58 n ARG 407 N -1.75 0.00 -0.64 1.61 0.63 -1.22 -4.73 116.66 110.55 1s58 n ARG 407 Ca 0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.64 1s58 n ARG 407 Cb 0.63 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.73 1s58 n ARG 407 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1s58 n PRO 408 N 0.00 -1.70 -2.40 -0.14 -0.02 -1.26 -2.34 135.00 127.13 1s58 n PRO 408 Ca 0.00 -0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 60.58 1s58 n PRO 408 Cb 0.00 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1s58 n PRO 408 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1s58 s LEU 409 N -2.22 4.30 0.01 2.45 2.96 -1.26 -4.03 118.68 120.89 1s58 s LEU 409 Ca 0.58 1.91 0.06 0.00 -0.22 0.00 0.00 54.13 56.46 1s58 s LEU 409 Cb -0.14 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1s58 s LEU 409 CO 0.66 -0.60 -0.18 0.00 -1.32 0.00 0.00 176.35 174.91 1s58 s MET 410 N 2.10 2.18 -0.55 1.98 0.23 -1.26 -4.99 119.30 118.99 1s58 s MET 410 Ca 0.58 -0.90 -0.26 0.00 -1.03 0.00 0.00 55.69 54.08 1s58 s MET 410 Cb -0.27 -2.21 -0.09 0.00 -1.53 0.00 0.00 34.83 30.73 1s58 s MET 410 CO 0.24 0.56 2.43 1.55 -2.03 0.00 0.00 175.02 177.78 1s58 n VAL 411 N 1.86 -0.07 0.00 5.16 3.14 -1.26 -2.53 118.33 124.63 1s58 n VAL 411 Ca -0.16 -0.73 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1s58 n VAL 411 Cb 0.52 -2.58 0.00 0.00 -1.06 0.00 0.00 33.84 30.72 1s58 n VAL 411 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s58 n GLY 412 N 6.12 0.68 0.00 7.55 0.00 -1.26 -5.04 105.19 113.24 1s58 n GLY 412 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1s58 n GLY 412 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s58 n SER 413 N 0.00 0.00 0.00 1.61 7.64 -1.05 -2.99 113.62 118.83 1s58 n SER 413 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1s58 n SER 413 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1s58 n SER 413 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s58 n VAL 414 N 0.00 0.00 -0.28 0.44 0.31 -1.26 -3.69 118.33 113.85 1s58 n VAL 414 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s58 n VAL 414 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1s58 n VAL 414 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 1s58 n TRP 415 N -1.95 0.00 -4.40 3.52 2.14 -1.26 -3.78 117.44 111.71 1s58 n TRP 415 Ca 0.00 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.36 1s58 n TRP 415 Cb 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.40 1s58 n TRP 415 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1s58 s ASN 416 N -1.46 1.97 0.35 -0.67 0.01 -1.26 -5.13 114.94 108.75 1s58 s ASN 416 Ca 0.00 -1.50 0.06 0.00 -0.71 0.00 0.00 52.86 50.71 1s58 s ASN 416 Cb 0.00 0.24 -0.07 0.00 0.41 0.00 0.00 41.25 41.83 1s58 s ASN 416 CO 0.00 -0.79 0.01 -0.13 -1.51 0.00 0.00 177.10 174.68 1s58 s ARG 417 N -3.86 1.75 -0.40 -0.60 0.52 -1.26 -4.57 118.95 110.54 1s58 s ARG 417 Ca 0.34 -1.96 -0.27 0.00 -0.52 0.00 0.00 55.73 53.32 1s58 s ARG 417 Cb 0.06 -1.26 -0.06 0.00 0.52 0.00 0.00 34.95 34.20 1s58 s ARG 417 CO 0.15 -0.07 2.35 0.54 0.02 0.00 0.00 175.30 178.30 1s58 n ARG 418 N -0.77 1.36 0.00 3.54 1.74 -1.22 -4.91 116.66 116.40 1s58 n ARG 418 Ca -0.04 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1s58 n ARG 418 Cb 0.66 -3.38 0.00 0.00 -1.02 0.00 0.00 32.46 28.71 1s58 n ARG 418 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s58 n ALA 419 N 14.52 0.00 -2.57 7.54 0.00 -1.26 -4.87 120.51 133.87 1s58 n ALA 419 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1s58 n ALA 419 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1s58 n ALA 419 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s58 s LEU 420 N 0.00 2.60 -0.16 0.00 1.43 -1.26 -4.91 118.68 116.39 1s58 s LEU 420 Ca 0.00 -1.40 -0.17 0.00 -1.03 0.00 0.00 54.13 51.54 1s58 s LEU 420 Cb 0.00 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1s58 s LEU 420 CO 0.00 -0.88 0.46 -1.38 0.23 0.00 0.00 176.35 174.78 1s58 s HIS 421 N -2.79 -0.49 0.37 0.29 -3.43 -1.18 -0.13 115.29 107.94 1s58 s HIS 421 Ca 0.23 1.16 0.17 0.00 -0.80 0.00 0.00 55.06 55.82 1s58 s HIS 421 Cb 0.01 0.18 1.10 0.00 -1.43 0.00 0.00 32.58 32.43 1s58 s HIS 421 CO 0.13 -0.27 1.71 -0.92 -2.00 0.00 0.00 174.74 173.39 1s58 h TYR 422 N 5.18 0.80 -3.43 0.38 3.20 -1.85 -3.27 116.97 117.97 1s58 h TYR 422 Ca -0.27 0.03 -0.54 0.00 3.14 0.00 0.00 58.73 61.09 1s58 h TYR 422 Cb 1.18 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1s58 h TYR 422 CO 0.41 -0.04 -0.04 -2.00 -1.64 0.00 0.00 178.16 174.84 1s58 s GLU 423 N -5.58 3.98 0.00 1.82 -6.30 -1.26 -0.68 118.70 110.67 1s58 s GLU 423 Ca -0.09 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 52.89 1s58 s GLU 423 Cb 0.28 -2.79 0.00 0.00 0.00 0.00 0.00 34.13 31.61 1s58 s GLU 423 CO 0.80 0.39 0.00 0.45 0.02 0.00 0.00 175.26 176.92 1s58 n SER 424 N 0.42 0.00 -4.73 -1.70 2.88 -1.24 -4.77 113.62 104.48 1s58 n SER 424 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 1s58 n SER 424 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1s58 n SER 424 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1s58 n GLN 425 N -0.34 2.65 -0.04 -1.46 -0.06 -1.26 -1.76 117.38 115.12 1s58 n GLN 425 Ca 0.00 0.95 0.02 0.00 -2.00 0.00 0.00 57.00 55.97 1s58 n GLN 425 Cb 0.00 -2.74 -0.12 0.00 -4.06 0.00 0.00 30.24 23.32 1s58 n GLN 425 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1s58 n LEU 426 N 2.71 0.00 0.00 1.69 7.94 -0.17 -1.39 117.00 127.77 1s58 n LEU 426 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1s58 n LEU 426 Cb 0.35 0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1s58 n LEU 426 CO 0.64 0.15 0.00 -2.67 -1.11 0.00 0.00 177.39 174.40 1s58 n TRP 427 N -2.27 0.00 -3.87 1.96 4.27 -1.25 -0.62 117.44 115.65 1s58 n TRP 427 Ca -0.12 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.38 1s58 n TRP 427 Cb 0.66 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.50 1s58 n TRP 427 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1s58 s SER 428 N 0.00 0.01 0.20 -0.67 0.15 1.36 -4.54 113.70 110.21 1s58 s SER 428 Ca 0.00 -0.10 -0.32 0.00 0.70 0.00 0.00 55.95 56.22 1s58 s SER 428 Cb 0.00 0.21 -0.14 0.00 -1.71 0.00 0.00 66.02 64.39 1s58 s SER 428 CO 0.00 -0.26 1.50 1.17 1.20 0.00 0.00 173.24 176.85 1s58 n LYS 429 N 1.95 2.11 -2.71 5.44 4.81 -1.26 -2.45 118.16 126.05 1s58 n LYS 429 Ca -0.20 0.76 -0.26 0.00 -0.87 0.00 0.00 58.31 57.74 1s58 n LYS 429 Cb 0.57 -2.47 0.01 0.00 0.02 0.00 0.00 35.03 33.15 1s58 n LYS 429 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s58 s ILE 430 N 0.41 4.34 0.47 3.15 1.01 -1.26 -4.83 121.20 124.49 1s58 s ILE 430 Ca 0.73 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1s58 s ILE 430 Cb -0.66 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1s58 s ILE 430 CO 0.44 -0.59 0.79 -2.16 0.00 0.00 0.00 174.94 173.42 1s58 s PRO 431 N -4.74 3.60 -1.44 2.79 0.04 -1.26 -4.57 135.00 129.41 1s58 s PRO 431 Ca 0.49 0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.71 1s58 s PRO 431 Cb -0.10 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1s58 s PRO 431 CO 0.43 -0.18 2.44 0.09 0.04 0.00 0.00 177.00 179.82 1s58 n ASN 432 N -2.05 6.86 -4.29 6.66 4.13 -1.26 -4.86 115.26 120.45 1s58 n ASN 432 Ca 0.01 -2.89 -0.29 0.00 1.68 0.00 0.00 54.58 53.09 1s58 n ASN 432 Cb 0.55 -1.51 -0.15 0.00 -1.54 0.00 0.00 39.78 37.13 1s58 n ASN 432 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1s58 s LEU 433 N -0.13 2.10 0.00 3.41 1.43 -1.26 -5.13 118.68 119.10 1s58 s LEU 433 Ca 0.55 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1s58 s LEU 433 Cb 0.16 -1.21 0.07 0.00 0.03 0.00 0.00 46.19 45.24 1s58 s LEU 433 CO -0.06 0.26 0.16 0.47 0.23 0.00 0.00 176.35 177.41 1s58 n ASP 434 N 2.18 -2.12 0.00 2.29 8.00 -1.26 -4.67 116.55 120.98 1s58 n ASP 434 Ca -0.16 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1s58 n ASP 434 Cb 0.52 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1s58 n ASP 434 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s58 n ASP 435 N 0.72 0.00 -2.02 -2.24 9.92 -1.26 -4.96 116.55 116.71 1s58 n ASP 435 Ca 0.03 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.26 1s58 n ASP 435 Cb 0.11 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.63 1s58 n ASP 435 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1s58 n SER 436 N 0.00 -0.62 0.00 -2.24 7.64 -1.26 -5.14 113.62 111.99 1s58 n SER 436 Ca 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1s58 n SER 436 Cb 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1s58 n SER 436 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1s58 n PHE 437 N -0.69 0.00 -3.70 1.43 7.35 -1.26 -3.14 117.46 117.45 1s58 n PHE 437 Ca -0.15 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.31 1s58 n PHE 437 Cb 0.84 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.60 1s58 n PHE 437 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1s58 n LYS 438 N 0.00 -0.92 0.00 -4.13 4.76 -1.26 -4.81 118.16 111.79 1s58 n LYS 438 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1s58 n LYS 438 Cb 0.00 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 30.57 1s58 n LYS 438 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1s58 n THR 439 N -3.32 0.21 -0.03 -0.18 -1.04 -1.19 -4.25 114.28 104.48 1s58 n THR 439 Ca -0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 1s58 n THR 439 Cb 0.44 -0.52 0.33 0.00 -1.82 0.00 0.00 70.33 68.76 1s58 n THR 439 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1s58 h GLN 440 N 0.29 0.59 -5.29 -2.82 1.08 -1.87 -3.37 115.11 103.72 1s58 h GLN 440 Ca 0.00 -0.08 -0.39 0.00 -1.45 0.00 0.00 58.65 56.73 1s58 h GLN 440 Cb 0.49 -0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 27.63 1s58 h GLN 440 CO 0.00 0.50 -0.75 -0.06 -0.95 0.00 0.00 178.83 177.57 1s58 s PHE 441 N -5.26 1.29 0.18 2.96 0.40 -1.26 -0.16 117.98 116.14 1s58 s PHE 441 Ca -0.08 -0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 55.37 1s58 s PHE 441 Cb 0.16 -0.69 -0.09 0.00 0.51 0.00 0.00 43.02 42.92 1s58 s PHE 441 CO 0.76 0.10 1.34 0.00 0.70 0.00 0.00 175.22 178.12 1s58 s ALA 442 N -2.14 3.55 0.25 5.36 0.00 -0.64 -4.59 121.76 123.56 1s58 s ALA 442 Ca 0.07 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1s58 s ALA 442 Cb -0.05 -3.50 0.37 0.00 0.00 0.00 0.00 23.12 19.93 1s58 s ALA 442 CO 0.02 -0.58 1.58 0.00 0.00 0.00 0.00 175.76 176.78 1s58 h ALA 443 N 5.68 0.51 0.00 0.00 0.00 -1.90 1.42 119.26 124.97 1s58 h ALA 443 Ca -0.44 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s58 h ALA 443 Cb 1.21 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1s58 h ALA 443 CO 0.80 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 1s58 h LEU 444 N -0.01 0.00 0.00 0.00 -0.00 -1.92 -3.45 115.31 109.93 1s58 h LEU 444 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1s58 h LEU 444 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1s58 h LEU 444 CO -0.92 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.13 1s58 n GLY 445 N -0.91 1.48 0.00 0.83 0.00 0.49 -4.51 105.19 102.57 1s58 n GLY 445 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s58 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s58 n GLY 446 N 0.00 -1.92 3.72 -0.02 0.00 -0.49 -4.56 105.19 101.92 1s58 n GLY 446 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1s58 n GLY 446 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s58 s TRP 447 N 0.00 3.20 -0.17 1.61 0.51 0.21 -1.62 118.94 122.67 1s58 s TRP 447 Ca 0.00 0.20 -0.08 0.00 -2.12 0.00 0.00 56.10 54.09 1s58 s TRP 447 Cb 0.00 -1.76 -0.05 0.00 -0.81 0.00 0.00 33.47 30.85 1s58 s TRP 447 CO 0.00 0.51 0.11 0.20 -0.51 0.00 0.00 176.95 177.26 1s58 s GLY 448 N -1.24 2.04 -0.30 0.98 0.00 0.77 0.41 107.32 109.98 1s58 s GLY 448 Ca 0.17 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.04 1s58 s GLY 448 CO 0.07 -0.03 1.14 0.48 0.00 0.00 0.00 173.10 174.76 1s58 s LEU 449 N -0.03 -0.26 0.14 0.66 -0.00 -1.02 -4.66 118.68 113.52 1s58 s LEU 449 Ca 0.09 0.14 -0.34 0.00 -0.00 0.00 0.00 54.13 54.02 1s58 s LEU 449 Cb -0.11 1.21 -0.14 0.00 -0.00 0.00 0.00 46.19 47.15 1s58 s LEU 449 CO 0.00 -0.05 1.58 1.41 -0.00 0.00 0.00 176.35 179.30 1s58 n HIS 450 N 5.43 2.24 -1.41 3.48 8.25 -1.26 -3.75 115.22 128.19 1s58 n HIS 450 Ca -0.06 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1s58 n HIS 450 Cb 0.55 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.12 1s58 n HIS 450 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s58 n GLN 451 N 3.57 0.00 -4.60 -0.41 6.02 -1.26 -4.93 117.38 115.77 1s58 n GLN 451 Ca 0.17 0.47 -0.28 0.00 -0.01 0.00 0.00 57.00 57.35 1s58 n GLN 451 Cb 0.28 -1.10 -0.08 0.00 1.02 0.00 0.00 30.24 30.37 1s58 n GLN 451 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1s58 s PRO 452 N -0.33 2.04 0.00 -1.09 0.04 -1.25 -4.86 135.00 129.56 1s58 s PRO 452 Ca 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 61.00 58.77 1s58 s PRO 452 Cb 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 34.50 33.63 1s58 s PRO 452 CO 0.00 -0.46 0.16 -2.30 0.04 0.00 0.00 177.00 174.44 1s58 n PRO 453 N -1.05 0.00 -0.13 0.56 -0.02 -1.26 -4.68 135.00 128.43 1s58 n PRO 453 Ca -0.11 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1s58 n PRO 453 Cb 0.66 -0.48 -0.00 0.00 -0.02 0.00 0.00 33.50 33.65 1s58 n PRO 453 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s58 n PRO 454 N 1.53 0.00 -1.17 0.52 -0.02 -1.26 -4.73 135.00 129.87 1s58 n PRO 454 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1s58 n PRO 454 Cb 0.08 -0.11 0.08 0.00 -0.02 0.00 0.00 33.50 33.54 1s58 n PRO 454 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s58 n GLN 455 N 0.11 0.20 -3.61 -0.52 6.02 -1.26 -4.67 117.38 113.64 1s58 n GLN 455 Ca 0.02 0.11 -0.28 0.00 -0.01 0.00 0.00 57.00 56.84 1s58 n GLN 455 Cb 0.02 -1.85 -0.11 0.00 1.02 0.00 0.00 30.24 29.31 1s58 n GLN 455 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s58 s ILE 456 N -2.00 1.39 0.72 5.09 1.09 -1.26 -1.68 121.20 124.55 1s58 s ILE 456 Ca 0.64 -3.25 -0.11 0.00 -1.10 0.00 0.00 60.65 56.83 1s58 s ILE 456 Cb -0.32 -1.94 0.03 0.00 -1.06 0.00 0.00 42.46 39.17 1s58 s ILE 456 CO 0.59 -1.12 1.07 -0.36 -0.10 0.00 0.00 174.94 175.03 1s58 s PHE 457 N -0.48 2.91 -0.39 3.97 2.99 -0.08 -3.55 117.98 123.34 1s58 s PHE 457 Ca 0.28 1.47 -0.02 0.00 0.00 0.00 0.00 56.93 58.66 1s58 s PHE 457 Cb -0.02 -2.94 0.22 0.00 0.00 0.00 0.00 43.02 40.27 1s58 s PHE 457 CO -0.17 -1.45 1.02 1.47 -0.00 0.00 0.00 175.22 176.09 1s58 n LEU 458 N -3.27 -2.00 -4.85 -0.37 -0.00 -0.30 -1.76 117.00 104.44 1s58 n LEU 458 Ca 0.08 -1.62 -0.30 0.00 -0.00 0.00 0.00 56.01 54.18 1s58 n LEU 458 Cb 0.53 0.61 0.08 0.00 -0.00 0.00 0.00 43.42 44.65 1s58 n LEU 458 CO 0.55 1.44 0.74 -1.59 -0.00 0.00 0.00 177.39 178.53 1s58 s LYS 459 N 0.86 2.22 0.30 1.47 -2.85 -1.25 -4.48 119.74 116.01 1s58 s LYS 459 Ca 0.26 0.41 -0.04 0.00 -1.00 0.00 0.00 55.97 55.60 1s58 s LYS 459 Cb 0.11 -1.95 -0.05 0.00 -2.06 0.00 0.00 37.83 33.88 1s58 s LYS 459 CO -0.10 -1.48 0.55 0.42 0.10 0.00 0.00 175.35 174.84 1s58 s ILE 460 N -3.34 5.05 -0.26 3.79 1.01 -1.26 -1.08 121.20 125.11 1s58 s ILE 460 Ca 0.60 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.99 1s58 s ILE 460 Cb -0.12 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1s58 s ILE 460 CO 0.52 -0.37 0.60 -0.22 0.00 0.00 0.00 174.94 175.47 1s58 s LEU 461 N -3.71 4.06 -0.80 2.97 1.98 -0.66 -4.73 118.68 117.79 1s58 s LEU 461 Ca 0.43 0.66 -0.19 0.00 -2.89 0.00 0.00 54.13 52.13 1s58 s LEU 461 Cb -0.10 -2.81 -0.19 0.00 0.66 0.00 0.00 46.19 43.75 1s58 s LEU 461 CO 0.32 -0.35 2.09 -2.65 -1.89 0.00 0.00 176.35 173.86 1s58 n PRO 462 N 5.67 0.24 -2.35 0.98 -0.02 -1.26 -4.64 135.00 133.62 1s58 n PRO 462 Ca -0.01 -0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 60.30 1s58 n PRO 462 Cb 0.49 -2.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 1s58 n PRO 462 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1s58 s GLN 463 N 7.92 3.22 1.17 -0.52 0.74 -1.26 -4.96 119.66 125.96 1s58 s GLN 463 Ca 0.85 -1.04 -0.17 0.00 0.05 0.00 0.00 55.36 55.05 1s58 s GLN 463 Cb -0.23 -5.29 0.25 0.00 1.10 0.00 0.00 33.01 28.84 1s58 s GLN 463 CO 0.20 -2.79 0.55 0.45 -0.55 0.00 0.00 175.29 173.15 1s58 n SER 464 N 11.01 -3.40 0.00 6.67 2.88 -1.26 -2.65 113.62 126.87 1s58 n SER 464 Ca 0.39 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1s58 n SER 464 Cb 0.48 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1s58 n SER 464 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s58 n GLY 465 N 2.22 4.61 3.41 0.46 0.00 -0.86 -4.51 105.19 110.53 1s58 n GLY 465 Ca 0.09 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1s58 n GLY 465 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s58 n PRO 466 N -0.98 0.39 -3.80 1.61 -0.02 -1.23 -3.55 135.00 127.42 1s58 n PRO 466 Ca 0.00 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 1s58 n PRO 466 Cb 0.00 -1.33 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1s58 n PRO 466 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s58 s ILE 467 N -1.45 -0.01 0.00 4.25 1.10 -1.05 -4.91 121.20 119.13 1s58 s ILE 467 Ca 0.62 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.79 1s58 s ILE 467 Cb -0.66 -0.24 0.00 0.00 0.15 0.00 0.00 42.46 41.71 1s58 s ILE 467 CO 0.59 0.01 0.00 0.61 -2.11 0.00 0.00 174.94 174.05 1s58 n GLY 468 N 3.24 1.04 1.71 1.50 0.00 -1.26 -4.22 105.19 107.19 1s58 n GLY 468 Ca -0.15 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1s58 n GLY 468 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s58 n GLY 469 N 0.00 3.78 0.19 -0.02 0.00 -1.26 -5.02 105.19 102.86 1s58 n GLY 469 Ca 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1s58 n GLY 469 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s58 h ILE 470 N 1.24 1.36 0.00 -0.61 1.08 -1.99 -3.27 117.51 115.31 1s58 h ILE 470 Ca -0.18 -1.99 -0.23 0.00 -0.39 0.00 0.00 64.86 62.08 1s58 h ILE 470 Cb 0.61 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 1s58 h ILE 470 CO 0.29 0.60 -1.47 0.11 -0.69 0.00 0.00 178.15 177.00 1s58 h LYS 471 N 0.32 0.00 -6.67 2.37 1.57 -2.02 -3.46 116.57 108.68 1s58 h LYS 471 Ca -0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 1s58 h LYS 471 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1s58 h LYS 471 CO 0.11 0.46 0.02 -1.54 -0.57 0.00 0.00 179.45 177.94 1s58 s SER 472 N -6.05 6.58 0.00 0.86 1.04 -1.24 -5.09 113.70 109.79 1s58 s SER 472 Ca -0.03 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1s58 s SER 472 Cb 0.08 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1s58 s SER 472 CO 0.82 -0.26 0.00 0.23 0.98 0.00 0.00 173.24 175.01 1s58 n MET 473 N -0.82 3.14 0.00 4.02 2.81 -1.26 -4.16 117.12 120.85 1s58 n MET 473 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1s58 n MET 473 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1s58 n MET 473 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s58 n GLY 474 N 5.00 1.33 2.87 3.03 0.00 -1.26 -3.42 105.19 112.73 1s58 n GLY 474 Ca 0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1s58 n GLY 474 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s58 n ILE 475 N 0.00 2.08 -2.84 -0.61 -5.35 -1.26 -2.54 119.36 108.83 1s58 n ILE 475 Ca 0.00 -1.51 -0.15 0.00 -0.27 0.00 0.00 62.75 60.83 1s58 n ILE 475 Cb 0.00 -2.22 0.06 0.00 -1.74 0.00 0.00 39.64 35.74 1s58 n ILE 475 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1s58 n THR 476 N 5.15 0.00 -3.42 7.28 -2.24 -1.23 -4.84 114.28 114.98 1s58 n THR 476 Ca 0.46 -1.28 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1s58 n THR 476 Cb 0.27 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 1s58 n THR 476 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s58 s THR 477 N -1.75 5.48 -0.02 4.28 2.01 -1.26 -2.02 115.64 122.35 1s58 s THR 477 Ca 0.45 -3.34 -0.15 0.00 0.31 0.00 0.00 61.69 58.96 1s58 s THR 477 Cb -0.03 -4.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.08 1s58 s THR 477 CO 0.29 -1.12 0.40 0.18 -0.69 0.00 0.00 174.62 173.68 1s58 n LEU 478 N 2.87 0.05 -4.75 4.42 7.99 -1.08 -4.64 117.00 121.85 1s58 n LEU 478 Ca 0.21 0.41 -0.41 0.00 -0.01 0.00 0.00 56.01 56.21 1s58 n LEU 478 Cb 0.40 -0.33 -0.02 0.00 -0.11 0.00 0.00 43.42 43.37 1s58 n LEU 478 CO 0.41 -0.63 1.14 -0.69 -1.51 0.00 0.00 177.39 176.11 1s58 s VAL 479 N 0.13 2.40 -0.29 4.08 1.01 -1.26 -4.69 120.40 121.78 1s58 s VAL 479 Ca 0.33 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1s58 s VAL 479 Cb -0.46 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 32.85 1s58 s VAL 479 CO 0.21 0.06 1.11 0.00 0.00 0.00 0.00 175.10 176.49 1s58 s GLN 480 N -0.74 0.29 0.35 2.72 -2.07 -1.26 -1.34 119.66 117.61 1s58 s GLN 480 Ca 0.59 0.44 0.04 0.00 -1.82 0.00 0.00 55.36 54.61 1s58 s GLN 480 Cb -0.44 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.53 1s58 s GLN 480 CO 0.48 -0.05 0.13 1.52 -1.32 0.00 0.00 175.29 176.05 1s58 s TYR 481 N 0.86 1.73 -0.04 9.60 -0.00 -0.51 -4.66 117.35 124.32 1s58 s TYR 481 Ca -0.04 -1.28 -0.04 0.00 -0.00 0.00 0.00 57.07 55.72 1s58 s TYR 481 Cb -0.04 -1.03 0.02 0.00 -0.00 0.00 0.00 41.96 40.90 1s58 s TYR 481 CO -0.12 -0.36 0.11 0.00 -0.00 0.00 0.00 175.55 175.18 1s58 s ALA 482 N -3.41 -0.26 -0.46 9.51 0.00 -1.15 0.48 121.76 126.46 1s58 s ALA 482 Ca 0.32 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1s58 s ALA 482 Cb 0.05 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.06 1s58 s ALA 482 CO 0.16 -0.07 0.31 0.08 0.00 0.00 0.00 175.76 176.24 1s58 s VAL 483 N 0.27 3.98 0.37 0.00 1.01 -1.26 0.83 120.40 125.60 1s58 s VAL 483 Ca -0.02 -1.87 0.02 0.00 0.00 0.00 0.00 61.98 60.12 1s58 s VAL 483 Cb -0.03 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1s58 s VAL 483 CO -0.01 -0.76 0.55 -0.83 0.00 0.00 0.00 175.10 174.06 1s58 s GLY 484 N 2.45 1.46 -0.60 4.51 0.00 -0.57 -2.87 107.32 111.71 1s58 s GLY 484 Ca 0.06 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1s58 s GLY 484 CO -0.02 -1.02 0.36 -1.50 0.00 0.00 0.00 173.10 170.93 1s58 s ILE 485 N -2.33 2.67 0.63 0.90 1.10 -1.25 0.98 121.20 123.89 1s58 s ILE 485 Ca 0.43 -3.72 -0.17 0.00 -0.51 0.00 0.00 60.65 56.69 1s58 s ILE 485 Cb -0.10 -2.81 -0.02 0.00 0.15 0.00 0.00 42.46 39.69 1s58 s ILE 485 CO 0.35 -0.89 1.15 0.00 -2.11 0.00 0.00 174.94 173.43 1s58 s MET 486 N -0.78 2.87 -0.20 3.50 0.23 -1.01 -2.64 119.30 121.27 1s58 s MET 486 Ca 0.21 1.58 -0.04 0.00 -1.03 0.00 0.00 55.69 56.40 1s58 s MET 486 Cb -0.16 -1.94 0.09 0.00 -1.53 0.00 0.00 34.83 31.28 1s58 s MET 486 CO -0.07 -1.23 0.22 0.99 -2.03 0.00 0.00 175.02 172.90 1s58 s THR 487 N -2.01 -0.33 0.43 3.16 2.01 -0.66 -1.99 115.64 116.25 1s58 s THR 487 Ca 0.71 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1s58 s THR 487 Cb -0.24 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1s58 s THR 487 CO 0.37 -0.19 0.63 -0.69 -0.69 0.00 0.00 174.62 174.04 1s58 s VAL 488 N 2.33 3.85 -0.27 3.82 1.01 -0.85 -0.15 120.40 130.13 1s58 s VAL 488 Ca 0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1s58 s VAL 488 Cb -0.16 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 32.96 1s58 s VAL 488 CO -0.12 -0.24 0.58 -0.89 0.00 0.00 0.00 175.10 174.42 1s58 s THR 489 N -2.47 -0.90 0.37 3.92 2.01 0.92 -1.80 115.64 117.68 1s58 s THR 489 Ca 0.49 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.60 1s58 s THR 489 Cb -0.10 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1s58 s THR 489 CO 0.36 0.01 0.04 -0.32 -0.69 0.00 0.00 174.62 174.02 1s58 s MET 490 N 2.81 2.07 -0.03 4.92 1.75 0.44 -0.43 119.30 130.83 1s58 s MET 490 Ca -0.00 -1.84 -0.00 0.00 -1.25 0.00 0.00 55.69 52.59 1s58 s MET 490 Cb -0.13 -1.88 0.03 0.00 2.84 0.00 0.00 34.83 35.70 1s58 s MET 490 CO -0.18 0.06 0.02 0.95 -0.65 0.00 0.00 175.02 175.22 1s58 s THR 491 N -2.57 0.08 -0.08 10.11 -4.23 -0.59 0.11 115.64 118.46 1s58 s THR 491 Ca 0.36 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1s58 s THR 491 Cb 0.02 -0.23 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 1s58 s THR 491 CO 0.20 0.15 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.84 1s58 s PHE 492 N 1.38 2.38 -1.05 3.99 0.40 -0.73 0.15 117.98 124.50 1s58 s PHE 492 Ca -0.05 -0.87 -0.23 0.00 -0.60 0.00 0.00 56.93 55.18 1s58 s PHE 492 Cb -0.13 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1s58 s PHE 492 CO -0.03 -0.33 1.70 0.15 0.70 0.00 0.00 175.22 177.41 1s58 s LYS 493 N 0.19 3.23 0.08 0.44 1.02 0.54 -2.13 119.74 123.10 1s58 s LYS 493 Ca -0.13 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 1s58 s LYS 493 Cb -0.16 -5.29 -0.07 0.00 -0.52 0.00 0.00 37.83 31.79 1s58 s LYS 493 CO 0.06 -2.76 1.45 -0.51 -0.92 0.00 0.00 175.35 172.68 1s58 s LEU 494 N 7.04 4.35 0.00 3.17 1.43 -1.13 -3.90 118.68 129.64 1s58 s LEU 494 Ca 0.57 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1s58 s LEU 494 Cb -0.01 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1s58 s LEU 494 CO -0.02 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1s58 n GLY 495 N 3.65 -2.14 3.70 -3.19 0.00 -0.76 -4.20 105.19 102.25 1s58 n GLY 495 Ca 0.13 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1s58 n GLY 495 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s58 s PRO 496 N -3.01 2.56 0.04 1.61 0.04 -1.26 -4.07 135.00 130.91 1s58 s PRO 496 Ca 0.00 -1.00 -0.31 0.00 0.04 0.00 0.00 61.00 59.73 1s58 s PRO 496 Cb -0.00 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 1s58 s PRO 496 CO 0.00 0.48 1.41 -0.98 0.04 0.00 0.00 177.00 177.95 1s58 s ARG 497 N -2.89 4.29 1.17 4.56 1.70 -1.25 -3.23 118.95 123.30 1s58 s ARG 497 Ca 0.28 2.02 -0.17 0.00 -0.47 0.00 0.00 55.73 57.39 1s58 s ARG 497 Cb -0.10 -3.47 0.23 0.00 -0.57 0.00 0.00 34.95 31.04 1s58 s ARG 497 CO 0.20 -0.53 0.46 1.63 -1.08 0.00 0.00 175.30 175.97 1s58 n LYS 498 N 4.91 -2.87 -4.44 3.89 4.76 -1.26 -4.84 118.16 118.31 1s58 n LYS 498 Ca 0.13 -0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 54.40 1s58 n LYS 498 Cb 0.43 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 1s58 n LYS 498 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s58 s ALA 499 N -2.14 3.03 0.03 7.82 0.00 -1.26 -5.06 121.76 124.18 1s58 s ALA 499 Ca 0.50 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1s58 s ALA 499 Cb -0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1s58 s ALA 499 CO 0.48 0.62 0.01 0.95 0.00 0.00 0.00 175.76 177.82 1s58 s THR 500 N -1.02 0.14 -2.18 0.00 -4.23 -1.26 -4.88 115.64 102.22 1s58 s THR 500 Ca 0.18 -1.15 0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1s58 s THR 500 Cb -0.11 -0.71 0.49 0.00 1.34 0.00 0.00 72.50 73.50 1s58 s THR 500 CO 0.08 -0.63 1.44 0.61 -0.54 0.00 0.00 174.62 175.58 1s58 n GLY 501 N 1.05 1.54 3.66 3.99 0.00 -1.26 -4.94 105.19 109.23 1s58 n GLY 501 Ca -0.20 -0.64 -0.54 0.00 0.00 0.00 0.00 46.02 44.64 1s58 n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s58 n ARG 502 N 1.17 1.41 0.05 1.61 1.74 -1.26 -4.78 116.66 116.60 1s58 n ARG 502 Ca 0.19 0.50 -0.12 0.00 -0.77 0.00 0.00 57.85 57.65 1s58 n ARG 502 Cb 0.50 -2.30 -0.14 0.00 -1.02 0.00 0.00 32.46 29.51 1s58 n ARG 502 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1s58 h TRP 503 N 8.61 0.24 -2.71 -1.55 -0.00 -2.06 -3.44 115.95 115.04 1s58 h TRP 503 Ca -0.44 -0.17 -0.54 0.00 -0.00 0.00 0.00 58.89 57.74 1s58 h TRP 503 Cb 1.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.16 30.40 1s58 h TRP 503 CO 0.83 1.19 1.15 0.54 -0.00 0.00 0.00 178.44 182.16 1s58 s ASN 504 N -6.74 5.99 0.00 2.65 6.03 -1.26 -4.86 114.94 116.75 1s58 s ASN 504 Ca -0.05 0.43 0.00 0.00 -1.03 0.00 0.00 52.86 52.21 1s58 s ASN 504 Cb 0.08 -2.54 0.00 0.00 -3.03 0.00 0.00 41.25 35.76 1s58 s ASN 504 CO 0.84 -1.79 0.00 -2.65 -2.03 0.00 0.00 177.10 171.47 1s58 n PRO 505 N 8.68 0.00 -1.75 3.55 -0.02 -1.26 -4.79 135.00 139.41 1s58 n PRO 505 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1s58 n PRO 505 Cb 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1s58 n PRO 505 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1s58 n GLN 506 N -0.23 -4.96 0.00 -0.52 -0.06 -1.26 -4.90 117.38 105.45 1s58 n GLN 506 Ca 0.00 3.64 0.00 0.00 -2.00 0.00 0.00 57.00 58.64 1s58 n GLN 506 Cb 0.00 -4.06 0.00 0.00 -4.06 0.00 0.00 30.24 22.12 1s58 n GLN 506 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1s58 n PRO 507 N -0.28 0.00 0.00 3.69 -0.02 -1.26 -5.04 135.00 132.08 1s58 n PRO 507 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1s58 n PRO 507 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1s58 n PRO 507 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s58 n GLY 508 N 0.00 2.63 0.00 -1.23 0.00 -1.26 -5.12 105.19 100.21 1s58 n GLY 508 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1s58 n GLY 508 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s58 n VAL 509 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.78 118.33 114.14 1s58 n VAL 509 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1s58 n VAL 509 Cb 0.00 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1s58 n VAL 509 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s58 n TYR 510 N -0.58 0.00 -1.67 6.34 -0.00 -1.26 -4.77 117.16 115.22 1s58 n TYR 510 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.90 57.41 1s58 n TYR 510 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1s58 n TYR 510 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1s58 n PRO 511 N 0.05 1.92 -1.66 2.98 -0.04 -1.26 -4.87 135.00 132.13 1s58 n PRO 511 Ca 0.00 0.70 -0.62 0.00 -0.04 0.00 0.00 63.50 63.53 1s58 n PRO 511 Cb 0.00 -2.46 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 1s58 n PRO 511 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1s58 n PRO 512 N 4.48 0.29 -0.24 0.54 -0.02 -1.26 -4.85 135.00 133.93 1s58 n PRO 512 Ca 0.20 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1s58 n PRO 512 Cb 0.26 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1s58 n PRO 512 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1s58 n HIS 513 N 3.34 -0.00 -3.69 6.00 1.44 -1.26 -3.37 115.22 117.68 1s58 n HIS 513 Ca 0.26 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.67 1s58 n HIS 513 Cb 0.03 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.00 1s58 n HIS 513 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s58 s ALA 514 N -2.00 1.41 0.00 1.59 0.00 -1.23 -4.85 121.76 116.69 1s58 s ALA 514 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1s58 s ALA 514 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1s58 s ALA 514 CO 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 175.76 174.05 1s58 n ALA 515 N 4.78 -0.19 0.00 0.00 0.00 -1.26 -1.25 120.51 122.59 1s58 n ALA 515 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1s58 n ALA 515 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1s58 n ALA 515 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s58 n GLY 516 N 0.00 2.10 2.95 0.00 0.00 -1.26 -4.87 105.19 104.12 1s58 n GLY 516 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1s58 n GLY 516 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s58 s HIS 517 N -1.78 3.55 -0.17 1.61 5.65 -0.38 -5.08 115.29 118.69 1s58 s HIS 517 Ca 0.00 -3.23 -0.23 0.00 0.25 0.00 0.00 55.06 51.84 1s58 s HIS 517 Cb 0.00 -2.84 -0.02 0.00 -1.18 0.00 0.00 32.58 28.54 1s58 s HIS 517 CO 0.00 -0.63 0.74 -0.51 -0.65 0.00 0.00 174.74 173.70 1s58 s LEU 518 N -1.15 4.18 0.71 8.88 1.43 -1.26 -3.55 118.68 127.91 1s58 s LEU 518 Ca 0.23 1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 1s58 s LEU 518 Cb -0.10 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1s58 s LEU 518 CO -0.12 -0.32 1.06 -2.84 0.23 0.00 0.00 176.35 174.36 1s58 s PRO 519 N 1.91 2.85 -0.68 1.29 0.02 -1.26 -4.30 135.00 134.84 1s58 s PRO 519 Ca 0.35 0.96 -0.00 0.00 0.02 0.00 0.00 61.00 62.33 1s58 s PRO 519 Cb -0.16 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1s58 s PRO 519 CO 0.12 -1.16 0.57 0.66 -0.33 0.00 0.00 177.00 176.86 1s58 n TYR 520 N -3.17 -1.25 -3.84 6.54 0.53 -1.01 -4.98 117.16 109.97 1s58 n TYR 520 Ca 0.08 0.53 -0.04 0.00 -1.02 0.00 0.00 57.90 57.44 1s58 n TYR 520 Cb 0.54 -3.71 0.01 0.00 -1.03 0.00 0.00 39.34 35.15 1s58 n TYR 520 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1s58 s VAL 521 N -3.20 0.00 -0.13 -0.72 0.11 -1.26 -5.01 120.40 110.19 1s58 s VAL 521 Ca 0.01 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1s58 s VAL 521 Cb -0.01 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 1s58 s VAL 521 CO 0.41 0.00 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.21 1s58 s LEU 522 N -3.25 2.20 -0.01 2.54 1.02 -1.26 -2.94 118.68 116.98 1s58 s LEU 522 Ca 0.19 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.81 1s58 s LEU 522 Cb -0.03 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.69 1s58 s LEU 522 CO 0.06 0.10 -0.08 -0.31 0.02 0.00 0.00 176.35 176.14 1s58 s TYR 523 N 0.68 2.86 0.30 0.29 2.02 -0.96 -5.00 117.35 117.53 1s58 s TYR 523 Ca -0.10 -0.05 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1s58 s TYR 523 Cb -0.16 -1.61 -0.10 0.00 -0.40 0.00 0.00 41.96 39.69 1s58 s TYR 523 CO 0.01 0.35 1.12 0.34 -1.57 0.00 0.00 175.55 175.81 1s58 s ASP 524 N -1.30 7.16 0.28 2.29 -1.08 -1.26 -4.00 116.67 118.76 1s58 s ASP 524 Ca 0.16 2.31 0.25 0.00 -0.52 0.00 0.00 52.55 54.75 1s58 s ASP 524 Cb -0.11 -2.63 0.96 0.00 -1.46 0.00 0.00 42.92 39.68 1s58 s ASP 524 CO 0.06 -0.22 1.75 1.55 0.52 0.00 0.00 175.17 178.83 1s58 h PRO 525 N 3.66 0.00 0.00 4.34 0.13 -1.78 -3.10 132.00 135.26 1s58 h PRO 525 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1s58 h PRO 525 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1s58 h PRO 525 CO 0.66 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.84 1s58 n THR 526 N -2.35 0.00 -0.23 1.56 -1.04 -1.26 -3.47 114.28 107.49 1s58 n THR 526 Ca 0.03 0.28 -0.01 0.00 -2.04 0.00 0.00 64.05 62.31 1s58 n THR 526 Cb 0.30 -0.86 -0.01 0.00 -1.82 0.00 0.00 70.33 67.93 1s58 n THR 526 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s58 n ALA 527 N -3.00 2.60 -0.94 2.41 0.00 -1.26 -4.84 120.51 115.48 1s58 n ALA 527 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1s58 n ALA 527 Cb 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 19.45 17.79 1s58 n ALA 527 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1s58 n THR 528 N 1.97 0.00 -1.36 0.00 5.66 -1.17 -4.75 114.28 114.63 1s58 n THR 528 Ca 0.03 -0.13 -0.51 0.00 -3.05 0.00 0.00 64.05 60.39 1s58 n THR 528 Cb 0.23 -0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 68.84 1s58 n THR 528 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1s58 n ASP 529 N 2.57 -0.44 0.10 1.09 -0.08 -1.22 -4.86 116.55 113.71 1s58 n ASP 529 Ca -0.01 1.07 -0.03 0.00 -1.51 0.00 0.00 54.79 54.30 1s58 n ASP 529 Cb 0.70 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1s58 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s58 h ALA 530 N 2.09 0.58 -3.00 -1.67 0.00 -1.96 -3.37 119.26 111.94 1s58 h ALA 530 Ca -0.39 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1s58 h ALA 530 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s58 h ALA 530 CO 0.58 0.98 0.00 1.63 0.00 0.00 0.00 179.25 182.44 1s58 n LYS 531 N -3.43 0.00 -0.06 0.00 4.76 -1.26 -4.80 118.16 113.36 1s58 n LYS 531 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1s58 n LYS 531 Cb 0.80 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.99 1s58 n LYS 531 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1s58 n GLN 532 N 0.00 0.35 0.00 1.97 6.02 -1.26 -4.90 117.38 119.56 1s58 n GLN 532 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1s58 n GLN 532 Cb 0.00 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1s58 n GLN 532 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1s58 n HIS 533 N 1.19 0.00 -3.65 1.08 -0.00 -1.26 -4.96 115.22 107.62 1s58 n HIS 533 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1s58 n HIS 533 Cb 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 1s58 n HIS 533 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1s58 s HIS 534 N 0.00 -1.07 0.33 1.57 5.04 -1.26 -4.89 115.29 115.01 1s58 s HIS 534 Ca 0.00 2.01 0.33 0.00 -1.54 0.00 0.00 55.06 55.86 1s58 s HIS 534 Cb 0.00 0.60 1.59 0.00 0.04 0.00 0.00 32.58 34.81 1s58 s HIS 534 CO 0.00 -0.55 2.08 0.07 -2.34 0.00 0.00 174.74 174.01 1s58 h ARG 535 N 7.54 0.00 -6.16 2.88 -0.00 -1.84 -3.22 114.38 113.59 1s58 h ARG 535 Ca -0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.62 1s58 h ARG 535 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.14 1s58 h ARG 535 CO 0.15 0.06 -1.02 1.58 -0.00 0.00 0.00 179.97 180.74 1s58 n HIS 536 N -3.30 -1.68 -2.53 4.08 -0.00 -1.26 -2.51 115.22 108.02 1s58 n HIS 536 Ca -0.01 0.71 -0.35 0.00 0.46 0.00 0.00 57.72 58.53 1s58 n HIS 536 Cb 0.24 -1.93 0.01 0.00 -0.12 0.00 0.00 29.99 28.19 1s58 n HIS 536 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1s58 n GLY 537 N 0.63 5.86 0.97 1.57 0.00 -1.26 -2.28 105.19 110.68 1s58 n GLY 537 Ca -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1s58 n GLY 537 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s58 n TYR 538 N -0.27 -2.50 -3.73 1.61 9.36 -1.15 -5.03 117.16 115.45 1s58 n TYR 538 Ca 0.43 1.30 -0.13 0.00 3.32 0.00 0.00 57.90 62.82 1s58 n TYR 538 Cb 0.34 -2.63 -0.10 0.00 -0.63 0.00 0.00 39.34 36.32 1s58 n TYR 538 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1s58 s GLU 539 N -3.07 0.52 1.09 2.98 2.12 -1.26 -4.98 118.70 116.11 1s58 s GLU 539 Ca 0.00 0.47 -0.16 0.00 0.36 0.00 0.00 54.97 55.64 1s58 s GLU 539 Cb 0.00 0.25 0.17 0.00 0.26 0.00 0.00 34.13 34.81 1s58 s GLU 539 CO 0.00 -0.08 0.27 1.63 -0.54 0.00 0.00 175.26 176.54 1s58 n LYS 540 N 2.60 -2.34 -2.46 4.30 5.02 -1.26 -2.41 118.16 121.61 1s58 n LYS 540 Ca -0.14 -0.69 -0.24 0.00 -2.02 0.00 0.00 58.31 55.22 1s58 n LYS 540 Cb 0.57 -1.58 0.09 0.00 -0.02 0.00 0.00 35.03 34.09 1s58 n LYS 540 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1s58 s PRO 541 N -3.61 1.85 0.00 1.97 0.02 -1.26 -4.67 135.00 129.30 1s58 s PRO 541 Ca 0.45 -0.81 0.00 0.00 0.02 0.00 0.00 61.00 60.67 1s58 s PRO 541 Cb -0.08 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.15 1s58 s PRO 541 CO 0.46 -1.35 0.16 0.39 -0.33 0.00 0.00 177.00 176.33 1s58 n GLU 542 N -2.84 0.00 -2.93 5.54 -0.58 -1.22 -4.67 120.64 113.95 1s58 n GLU 542 Ca 0.12 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 1s58 n GLU 542 Cb 0.60 -0.57 -0.04 0.00 -0.57 0.00 0.00 31.44 30.86 1s58 n GLU 542 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1s58 s GLU 543 N -0.32 4.28 0.12 3.49 1.03 -1.26 -3.72 118.70 122.33 1s58 s GLU 543 Ca 0.00 0.95 -0.04 0.00 0.03 0.00 0.00 54.97 55.91 1s58 s GLU 543 Cb 0.00 -3.58 -0.03 0.00 -0.80 0.00 0.00 34.13 29.72 1s58 s GLU 543 CO 0.00 -0.32 -0.04 1.28 -1.33 0.00 0.00 175.26 174.86 1s58 n LEU 544 N 5.21 -0.87 -4.57 1.83 7.99 -0.43 -4.48 117.00 121.69 1s58 n LEU 544 Ca 0.04 0.14 -0.25 0.00 -0.01 0.00 0.00 56.01 55.93 1s58 n LEU 544 Cb 0.49 -0.19 -0.07 0.00 -0.11 0.00 0.00 43.42 43.54 1s58 n LEU 544 CO 0.47 -1.11 1.38 0.86 -1.51 0.00 0.00 177.39 177.48 1s58 s TRP 545 N -0.45 1.74 0.53 -1.77 -0.00 -1.26 -4.71 118.94 113.02 1s58 s TRP 545 Ca 0.13 0.90 -0.17 0.00 -0.00 0.00 0.00 56.10 56.95 1s58 s TRP 545 Cb -0.11 -3.87 -0.15 0.00 -0.00 0.00 0.00 33.47 29.34 1s58 s TRP 545 CO 0.15 -1.31 -0.18 2.41 -0.00 0.00 0.00 176.95 178.02 1s58 n THR 546 N 8.08 0.00 0.00 5.86 -1.04 -1.25 -3.08 114.28 122.85 1s58 n THR 546 Ca 0.43 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1s58 n THR 546 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1s58 n THR 546 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s58 n ALA 547 N -1.56 0.00 0.00 2.41 0.00 0.82 -4.60 120.51 117.58 1s58 n ALA 547 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1s58 n ALA 547 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1s58 n ALA 547 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s58 n LYS 548 N 0.00 0.00 0.16 0.00 5.02 -1.26 -4.42 118.16 117.66 1s58 n LYS 548 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1s58 n LYS 548 Cb 0.00 -0.55 0.44 0.00 -0.02 0.00 0.00 35.03 34.89 1s58 n LYS 548 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1s58 n SER 549 N 0.77 0.41 -1.47 4.39 7.64 -1.26 -3.01 113.62 121.10 1s58 n SER 549 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1s58 n SER 549 Cb 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1s58 n SER 549 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1s58 n ARG 550 N -2.12 1.75 -3.62 1.43 3.00 -1.26 -4.45 116.66 111.40 1s58 n ARG 550 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.78 1s58 n ARG 550 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.63 1s58 n ARG 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1s58 s VAL 551 N 0.89 0.00 0.38 5.15 0.11 -1.26 0.25 120.40 125.91 1s58 s VAL 551 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1s58 s VAL 551 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1s58 s VAL 551 CO 0.00 0.00 0.07 0.00 -3.33 0.00 0.00 175.10 171.84 1s58 n HIS 552 N 0.93 0.52 -3.90 1.54 1.44 -1.24 -4.73 115.22 109.78 1s58 n HIS 552 Ca -0.06 -2.16 -0.31 0.00 -2.01 0.00 0.00 57.72 53.17 1s58 n HIS 552 Cb 0.58 -0.13 -0.13 0.00 0.12 0.00 0.00 29.99 30.43 1s58 n HIS 552 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1s58 s PRO 553 N -3.42 2.13 0.00 -1.40 0.04 -1.26 -0.03 135.00 131.06 1s58 s PRO 553 Ca 0.09 -2.63 0.00 0.00 0.04 0.00 0.00 61.00 58.51 1s58 s PRO 553 Cb 0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1s58 s PRO 553 CO 0.07 -1.13 0.31 1.47 0.04 0.00 0.00 177.00 177.76