#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tly n SER 10 N 0.00 3.99 -0.78 1.96 7.64 -1.26 -3.57 113.62 121.60 1tly n SER 10 Ca 0.00 -2.01 0.06 0.00 1.01 0.00 0.00 58.87 57.93 1tly n SER 10 Cb 0.00 -0.50 0.18 0.00 -1.01 0.00 0.00 64.21 62.89 1tly n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1tly n ASP 11 N 1.65 2.26 0.00 6.43 10.43 -1.26 -4.62 116.55 131.45 1tly n ASP 11 Ca 0.25 -2.04 0.00 0.00 2.57 0.00 0.00 54.79 55.57 1tly n ASP 11 Cb 0.63 -0.29 0.00 0.00 1.84 0.00 0.00 41.12 43.30 1tly n ASP 11 CO 0.00 0.00 0.00 -2.67 -1.07 0.00 0.00 177.20 173.46 1tly n TRP 12 N 0.66 -0.26 -3.46 1.24 4.27 -1.26 -4.92 117.44 113.72 1tly n TRP 12 Ca 0.14 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.34 1tly n TRP 12 Cb 0.37 0.05 -0.10 0.00 -1.36 0.00 0.00 31.31 30.27 1tly n TRP 12 CO 0.00 0.00 0.00 -0.46 -2.29 0.00 0.00 177.69 174.94 1tly s TRP 13 N -1.15 3.22 -0.06 -2.67 -0.11 -1.23 -2.61 118.94 114.32 1tly s TRP 13 Ca 0.00 -0.11 0.04 0.00 1.22 0.00 0.00 56.10 57.24 1tly s TRP 13 Cb 0.00 -2.58 -0.02 0.00 -1.50 0.00 0.00 33.47 29.37 1tly s TRP 13 CO 0.00 -0.40 -0.17 -1.01 -4.62 0.00 0.00 176.95 170.75 1tly s HIS 14 N 1.88 2.64 0.22 5.86 3.76 -0.28 -4.59 115.29 124.79 1tly s HIS 14 Ca 0.09 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.72 1tly s HIS 14 Cb -0.17 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 1tly s HIS 14 CO 0.11 0.02 -0.17 -0.65 -0.85 0.00 0.00 174.74 173.19 1tly s GLN 15 N -0.41 1.44 -0.23 1.40 -0.21 -1.26 -1.56 119.66 118.83 1tly s GLN 15 Ca 0.04 -1.61 -0.26 0.00 0.02 0.00 0.00 55.36 53.55 1tly s GLN 15 Cb -0.12 -1.41 0.08 0.00 1.00 0.00 0.00 33.01 32.56 1tly s GLN 15 CO 0.02 0.26 0.79 0.45 -2.12 0.00 0.00 175.29 174.69 1tly s SER 16 N -3.22 -0.65 -0.10 5.90 0.15 -0.83 -2.54 113.70 112.40 1tly s SER 16 Ca 0.24 1.16 0.02 0.00 0.70 0.00 0.00 55.95 58.06 1tly s SER 16 Cb -0.03 1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 65.40 1tly s SER 16 CO 0.10 -0.29 -0.17 -0.69 1.20 0.00 0.00 173.24 173.38 1tly s VAL 17 N 0.02 2.73 0.15 4.45 1.01 -1.02 -0.05 120.40 127.69 1tly s VAL 17 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1tly s VAL 17 Cb -0.04 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1tly s VAL 17 CO 0.01 0.55 -0.02 0.20 0.00 0.00 0.00 175.10 175.83 1tly s ASN 18 N 0.10 1.26 -0.17 3.32 0.01 0.17 -1.39 114.94 118.25 1tly s ASN 18 Ca -0.08 -1.12 -0.00 0.00 -0.71 0.00 0.00 52.86 50.95 1tly s ASN 18 Cb -0.15 0.10 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 1tly s ASN 18 CO 0.05 -0.52 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.30 1tly s VAL 19 N -3.61 2.78 0.01 1.60 1.01 0.02 -0.56 120.40 121.64 1tly s VAL 19 Ca 0.20 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1tly s VAL 19 Cb 0.06 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1tly s VAL 19 CO 0.02 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.73 1tly s VAL 20 N 0.93 2.62 -0.17 2.92 1.01 0.12 -2.53 120.40 125.29 1tly s VAL 20 Ca -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1tly s VAL 20 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1tly s VAL 20 CO -0.01 0.43 -0.11 -0.83 0.00 0.00 0.00 175.10 174.58 1tly s GLY 21 N -1.13 1.16 0.11 4.51 0.00 -0.58 -0.83 107.32 110.56 1tly s GLY 21 Ca 0.13 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1tly s GLY 21 CO 0.03 0.67 0.06 -1.35 0.00 0.00 0.00 173.10 172.51 1tly s SER 22 N 1.47 5.34 -0.09 1.64 1.04 0.19 -0.84 113.70 122.44 1tly s SER 22 Ca 0.02 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 1tly s SER 22 Cb -0.15 -1.36 0.04 0.00 0.10 0.00 0.00 66.02 64.65 1tly s SER 22 CO -0.09 0.14 0.09 -0.47 0.98 0.00 0.00 173.24 173.89 1tly s TYR 23 N -1.47 0.07 -0.74 5.02 5.04 -0.00 -2.48 117.35 122.79 1tly s TYR 23 Ca 0.29 0.10 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 1tly s TYR 23 Cb -0.11 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.68 1tly s TYR 23 CO 0.21 -0.32 0.64 0.72 -1.34 0.00 0.00 175.55 175.45 1tly n HIS 24 N 5.30 -1.51 -1.70 4.97 8.25 -0.19 -0.73 115.22 129.60 1tly n HIS 24 Ca -0.05 0.56 -0.36 0.00 -0.26 0.00 0.00 57.72 57.62 1tly n HIS 24 Cb 0.50 -3.38 0.07 0.00 1.12 0.00 0.00 29.99 28.29 1tly n HIS 24 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1tly s THR 25 N -3.18 2.32 -0.06 1.59 2.01 0.44 -4.06 115.64 114.69 1tly s THR 25 Ca 0.24 0.18 0.20 0.00 0.31 0.00 0.00 61.69 62.62 1tly s THR 25 Cb -0.11 -2.94 0.39 0.00 0.01 0.00 0.00 72.50 69.85 1tly s THR 25 CO 0.41 -0.06 1.17 0.54 -0.69 0.00 0.00 174.62 175.99 1tly n ARG 26 N -2.13 0.45 0.22 4.92 1.74 -1.26 -2.88 116.66 117.72 1tly n ARG 26 Ca 0.14 -2.29 0.12 0.00 -0.77 0.00 0.00 57.85 55.06 1tly n ARG 26 Cb 0.49 -0.50 0.22 0.00 -1.02 0.00 0.00 32.46 31.65 1tly n ARG 26 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1tly h PHE 27 N 0.90 0.00 -5.18 -1.55 -1.00 -1.91 -3.32 116.94 104.88 1tly h PHE 27 Ca -0.15 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.22 1tly h PHE 27 Cb 1.60 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 41.12 1tly h PHE 27 CO 0.32 0.03 -0.22 0.41 -1.61 0.00 0.00 178.31 177.24 1tly n GLY 28 N 0.99 3.02 0.29 -1.45 0.00 -1.26 -3.34 105.19 103.44 1tly n GLY 28 Ca 0.04 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 1tly n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tly h PRO 29 N 0.00 0.72 -6.60 1.61 0.11 -1.91 -3.44 132.00 122.49 1tly h PRO 29 Ca -0.25 -0.16 -0.69 0.00 0.11 0.00 0.00 66.00 65.01 1tly h PRO 29 Cb 0.88 -0.10 -0.24 0.00 0.11 0.00 0.00 31.00 31.65 1tly h PRO 29 CO 0.40 0.70 -0.83 -0.65 -0.21 0.00 0.00 178.00 177.41 1tly s GLN 30 N -5.06 2.05 0.69 1.05 -0.21 -1.26 -4.36 119.66 112.55 1tly s GLN 30 Ca -0.09 -0.98 -0.17 0.00 0.02 0.00 0.00 55.36 54.14 1tly s GLN 30 Cb 0.15 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 32.03 1tly s GLN 30 CO 0.79 0.54 1.18 -0.89 -2.12 0.00 0.00 175.29 174.80 1tly n ILE 31 N 1.80 3.92 -4.04 1.08 5.41 -1.26 -4.92 119.36 121.34 1tly n ILE 31 Ca -0.16 -0.42 -0.08 0.00 1.00 0.00 0.00 62.75 63.08 1tly n ILE 31 Cb 0.52 -1.33 -0.10 0.00 -0.71 0.00 0.00 39.64 38.01 1tly n ILE 31 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1tly s ARG 32 N -3.45 0.49 -0.04 0.38 0.52 -1.14 -4.93 118.95 110.78 1tly s ARG 32 Ca 0.79 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1tly s ARG 32 Cb -0.36 0.15 0.03 0.00 0.52 0.00 0.00 34.95 35.29 1tly s ARG 32 CO 0.45 -0.08 0.05 -0.80 0.02 0.00 0.00 175.30 174.94 1tly s ASN 33 N -2.28 1.03 0.25 0.23 0.01 -1.26 -0.42 114.94 112.50 1tly s ASN 33 Ca -0.03 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.20 1tly s ASN 33 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1tly s ASN 33 CO -0.06 -0.23 0.18 -1.81 -1.51 0.00 0.00 177.10 173.67 1tly s ASP 34 N 1.99 0.73 -0.01 -1.22 1.11 -1.03 -4.96 116.67 113.28 1tly s ASP 34 Ca 0.03 -1.52 -0.03 0.00 0.18 0.00 0.00 52.55 51.21 1tly s ASP 34 Cb -0.12 0.43 0.00 0.00 1.07 0.00 0.00 42.92 44.30 1tly s ASP 34 CO -0.03 -0.91 0.06 0.42 1.18 0.00 0.00 175.17 175.88 1tly s THR 35 N -3.89 0.04 0.04 -1.27 -4.23 -1.25 0.54 115.64 105.61 1tly s THR 35 Ca 0.39 -0.30 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 1tly s THR 35 Cb 0.05 -0.19 0.10 0.00 1.34 0.00 0.00 72.50 73.80 1tly s THR 35 CO 0.17 -0.17 1.14 -0.72 -0.54 0.00 0.00 174.62 174.51 1tly s TYR 36 N -0.51 -0.09 0.24 3.99 -0.85 -0.01 -4.03 117.35 116.09 1tly s TYR 36 Ca -0.06 -0.09 -0.06 0.00 -0.52 0.00 0.00 57.07 56.34 1tly s TYR 36 Cb -0.04 0.58 -0.06 0.00 0.38 0.00 0.00 41.96 42.83 1tly s TYR 36 CO 0.00 -0.50 0.51 -0.51 -1.52 0.00 0.00 175.55 173.53 1tly s LEU 37 N -2.91 4.14 -0.10 -3.49 2.01 0.39 0.12 118.68 118.84 1tly s LEU 37 Ca 0.13 0.74 -0.09 0.00 0.01 0.00 0.00 54.13 54.92 1tly s LEU 37 Cb 0.02 -3.52 0.03 0.00 0.01 0.00 0.00 46.19 42.73 1tly s LEU 37 CO -0.02 -0.10 0.27 -0.70 1.01 0.00 0.00 176.35 176.82 1tly s GLU 38 N -3.13 0.31 -0.16 1.70 2.12 0.28 -0.82 118.70 119.00 1tly s GLU 38 Ca 0.44 0.40 -0.02 0.00 0.36 0.00 0.00 54.97 56.15 1tly s GLU 38 Cb -0.11 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1tly s GLU 38 CO 0.26 -0.05 -0.10 -0.47 -0.54 0.00 0.00 175.26 174.36 1tly s TYR 39 N 0.24 2.88 0.18 5.30 5.04 0.27 0.46 117.35 131.72 1tly s TYR 39 Ca -0.01 -0.71 0.09 0.00 -2.44 0.00 0.00 57.07 54.01 1tly s TYR 39 Cb -0.03 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 1tly s TYR 39 CO -0.00 -0.29 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.58 1tly s GLU 40 N 0.67 1.96 -0.22 4.97 2.02 0.92 -0.68 118.70 128.34 1tly s GLU 40 Ca -0.05 -1.29 -0.08 0.00 0.02 0.00 0.00 54.97 53.56 1tly s GLU 40 Cb -0.15 -2.12 0.10 0.00 0.10 0.00 0.00 34.13 32.06 1tly s GLU 40 CO 0.02 0.43 0.49 0.00 0.02 0.00 0.00 175.26 176.22 1tly s ALA 41 N -1.65 -1.39 -0.13 5.21 0.00 -0.83 -1.97 121.76 121.00 1tly s ALA 41 Ca 0.24 1.75 0.02 0.00 0.00 0.00 0.00 51.96 53.97 1tly s ALA 41 Cb -0.09 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1tly s ALA 41 CO 0.14 -0.72 -0.18 0.12 0.00 0.00 0.00 175.76 175.12 1tly s PHE 42 N 2.48 2.36 0.11 0.00 5.36 -0.60 -2.02 117.98 125.67 1tly s PHE 42 Ca -0.04 -1.19 0.06 0.00 -0.96 0.00 0.00 56.93 54.80 1tly s PHE 42 Cb -0.11 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1tly s PHE 42 CO -0.15 -0.58 -0.15 0.00 -1.46 0.00 0.00 175.22 172.88 1tly s ALA 43 N 0.98 1.53 -0.33 11.12 0.00 0.14 -1.13 121.76 134.08 1tly s ALA 43 Ca -0.05 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1tly s ALA 43 Cb -0.15 -0.11 0.17 0.00 0.00 0.00 0.00 23.12 23.03 1tly s ALA 43 CO -0.03 0.16 0.50 0.21 0.00 0.00 0.00 175.76 176.60 1tly s LYS 44 N -2.41 0.58 -0.07 0.00 2.47 -1.07 0.19 119.74 119.42 1tly s LYS 44 Ca 0.07 -0.03 0.05 0.00 -1.56 0.00 0.00 55.97 54.50 1tly s LYS 44 Cb -0.07 -0.15 -0.01 0.00 -1.46 0.00 0.00 37.83 36.15 1tly s LYS 44 CO 0.03 -1.10 -0.22 0.21 0.16 0.00 0.00 175.35 174.43 1tly s LYS 45 N 2.26 2.74 0.00 4.03 2.20 0.96 -4.68 119.74 127.25 1tly s LYS 45 Ca 0.12 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1tly s LYS 45 Cb -0.10 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1tly s LYS 45 CO -0.19 0.35 0.00 -0.40 -0.36 0.00 0.00 175.35 174.75 1tly n ASP 46 N 3.05 0.00 -0.25 1.43 5.75 -1.26 0.18 116.55 125.45 1tly n ASP 46 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.67 1tly n ASP 46 Cb 0.52 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 1tly n ASP 46 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1tly n TRP 47 N -1.64 0.00 -3.73 2.11 4.27 -1.26 -4.88 117.44 112.31 1tly n TRP 47 Ca 0.00 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.48 1tly n TRP 47 Cb 0.00 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.85 1tly n TRP 47 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 1tly s PHE 48 N -1.84 -0.40 0.25 -2.67 -0.12 0.47 0.38 117.98 114.05 1tly s PHE 48 Ca 0.10 0.93 0.11 0.00 -0.05 0.00 0.00 56.93 58.03 1tly s PHE 48 Cb 0.11 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1tly s PHE 48 CO 0.40 -0.27 -0.18 0.16 -0.05 0.00 0.00 175.22 175.28 1tly s ASP 49 N -0.16 3.71 -0.11 1.98 3.84 -0.85 -0.03 116.67 125.06 1tly s ASP 49 Ca -0.03 -0.92 -0.21 0.00 -0.00 0.00 0.00 52.55 51.39 1tly s ASP 49 Cb -0.03 -0.38 0.05 0.00 -1.38 0.00 0.00 42.92 41.17 1tly s ASP 49 CO 0.02 0.06 0.51 0.12 -0.00 0.00 0.00 175.17 175.87 1tly s PHE 50 N -2.25 -0.49 -0.02 2.11 5.36 0.13 -1.23 117.98 121.60 1tly s PHE 50 Ca 0.28 1.01 -0.04 0.00 -0.96 0.00 0.00 56.93 57.22 1tly s PHE 50 Cb -0.06 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1tly s PHE 50 CO 0.14 -0.40 0.09 -0.47 -1.46 0.00 0.00 175.22 173.13 1tly s TYR 51 N -0.56 -0.01 -0.04 10.12 5.04 -0.91 0.27 117.35 131.26 1tly s TYR 51 Ca -0.07 0.04 -0.30 0.00 -2.44 0.00 0.00 57.07 54.31 1tly s TYR 51 Cb -0.03 -0.02 0.11 0.00 0.35 0.00 0.00 41.96 42.37 1tly s TYR 51 CO 0.04 -0.13 0.93 0.20 -1.34 0.00 0.00 175.55 175.25 1tly s GLY 52 N -0.53 -0.43 0.00 8.97 0.00 -0.86 0.25 107.32 114.72 1tly s GLY 52 Ca -0.06 1.14 -0.21 0.00 0.00 0.00 0.00 44.72 45.58 1tly s GLY 52 CO 0.00 0.40 0.47 -2.52 0.00 0.00 0.00 173.10 171.45 1tly s TYR 53 N -2.93 -0.38 -0.03 1.90 -0.85 0.04 -1.97 117.35 113.14 1tly s TYR 53 Ca 0.05 0.52 0.02 0.00 -0.52 0.00 0.00 57.07 57.15 1tly s TYR 53 Cb -0.01 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.59 1tly s TYR 53 CO -0.08 -0.54 -0.09 0.00 -1.52 0.00 0.00 175.55 173.32 1tly s ALA 54 N -1.80 0.84 -0.05 9.51 0.00 0.14 -1.01 121.76 129.40 1tly s ALA 54 Ca -0.09 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1tly s ALA 54 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1tly s ALA 54 CO 0.03 0.13 -0.16 -0.51 0.00 0.00 0.00 175.76 175.25 1tly s ASP 55 N 0.21 3.84 0.01 0.00 1.01 0.25 -0.57 116.67 121.42 1tly s ASP 55 Ca -0.03 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1tly s ASP 55 Cb -0.09 -0.78 -0.01 0.00 1.01 0.00 0.00 42.92 43.05 1tly s ASP 55 CO 0.00 0.33 -0.02 0.00 0.21 0.00 0.00 175.17 175.70 1tly s ALA 56 N -0.67 0.11 0.84 5.23 0.00 -0.00 -1.21 121.76 126.06 1tly s ALA 56 Ca 0.10 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1tly s ALA 56 Cb -0.11 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1tly s ALA 56 CO 0.00 -0.06 0.74 -2.30 0.00 0.00 0.00 175.76 174.14 1tly n PRO 57 N 2.37 0.01 0.00 0.00 -0.02 -1.26 -0.46 135.00 135.63 1tly n PRO 57 Ca -0.18 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1tly n PRO 57 Cb 0.58 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1tly n PRO 57 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1tly n VAL 58 N -3.21 0.18 -1.75 -1.45 0.31 -1.26 -4.42 118.33 106.73 1tly n VAL 58 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1tly n VAL 58 Cb 0.51 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1tly n VAL 58 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1tly n PRO 75 N 0.74 -0.31 -4.30 5.55 -0.04 -1.26 -5.07 135.00 130.32 1tly n PRO 75 Ca 0.00 0.72 -0.20 0.00 -0.04 0.00 0.00 63.50 63.98 1tly n PRO 75 Cb 0.10 -2.22 -0.08 0.00 -0.04 0.00 0.00 33.50 31.27 1tly n PRO 75 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1tly s LEU 76 N -1.85 1.74 -0.19 1.53 2.34 -1.26 -4.61 118.68 116.38 1tly s LEU 76 Ca 0.02 -1.74 -0.08 0.00 0.06 0.00 0.00 54.13 52.39 1tly s LEU 76 Cb -0.01 0.50 0.08 0.00 -0.56 0.00 0.00 46.19 46.20 1tly s LEU 76 CO 0.13 -1.04 0.42 0.12 -1.06 0.00 0.00 176.35 174.91 1tly s PHE 77 N -3.46 -0.73 0.04 3.48 5.36 -0.35 0.71 117.98 123.04 1tly s PHE 77 Ca 0.39 1.44 0.03 0.00 -0.96 0.00 0.00 56.93 57.84 1tly s PHE 77 Cb 0.03 0.29 -0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1tly s PHE 77 CO 0.26 -0.43 -0.10 0.00 -1.46 0.00 0.00 175.22 173.49 1tly s MET 78 N 2.14 0.63 -0.04 10.12 0.23 0.58 0.83 119.30 133.79 1tly s MET 78 Ca -0.05 -0.73 0.00 0.00 -1.03 0.00 0.00 55.69 53.88 1tly s MET 78 Cb -0.10 -0.51 0.03 0.00 -1.53 0.00 0.00 34.83 32.71 1tly s MET 78 CO -0.13 0.11 -0.01 -2.00 -2.03 0.00 0.00 175.02 170.96 1tly s GLU 79 N -1.37 0.54 -0.01 3.16 2.12 -0.18 -0.28 118.70 122.67 1tly s GLU 79 Ca -0.05 0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.37 1tly s GLU 79 Cb -0.09 -0.71 -0.02 0.00 0.26 0.00 0.00 34.13 33.58 1tly s GLU 79 CO 0.01 -0.16 -0.20 0.96 -0.54 0.00 0.00 175.26 175.34 1tly s ILE 80 N 1.22 1.55 -0.63 -3.70 -4.36 -0.05 -0.78 121.20 114.43 1tly s ILE 80 Ca -0.07 -0.85 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 1tly s ILE 80 Cb -0.13 -1.29 0.17 0.00 1.25 0.00 0.00 42.46 42.45 1tly s ILE 80 CO -0.02 0.42 0.45 -1.61 0.24 0.00 0.00 174.94 174.42 1tly s GLU 81 N -0.50 2.10 -0.05 0.37 2.02 0.70 -0.77 118.70 122.58 1tly s GLU 81 Ca 0.07 -3.04 -0.15 0.00 0.02 0.00 0.00 54.97 51.87 1tly s GLU 81 Cb -0.08 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 1tly s GLU 81 CO -0.01 -1.30 0.41 -1.25 0.02 0.00 0.00 175.26 173.13 1tly s PRO 82 N -1.06 4.04 -0.00 0.39 0.04 -0.93 -2.14 135.00 135.34 1tly s PRO 82 Ca 0.26 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.72 1tly s PRO 82 Cb -0.04 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1tly s PRO 82 CO -0.16 0.53 -0.13 1.03 0.04 0.00 0.00 177.00 178.30 1tly s ARG 83 N -0.53 1.05 -0.14 4.56 0.52 -0.37 -1.65 118.95 122.39 1tly s ARG 83 Ca 0.23 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1tly s ARG 83 Cb -0.16 -1.02 -0.00 0.00 0.52 0.00 0.00 34.95 34.29 1tly s ARG 83 CO 0.11 0.28 -0.17 -0.06 0.02 0.00 0.00 175.30 175.48 1tly s PHE 84 N -0.37 2.75 -0.30 -0.53 0.40 -0.38 -2.01 117.98 117.55 1tly s PHE 84 Ca 0.05 -1.03 -0.29 0.00 -0.60 0.00 0.00 56.93 55.06 1tly s PHE 84 Cb -0.05 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1tly s PHE 84 CO -0.00 -0.46 1.77 0.45 0.70 0.00 0.00 175.22 177.68 1tly s SER 85 N 0.71 6.00 0.29 1.36 0.15 0.16 -0.20 113.70 122.17 1tly s SER 85 Ca -0.08 1.41 0.01 0.00 0.70 0.00 0.00 55.95 57.99 1tly s SER 85 Cb -0.16 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.06 1tly s SER 85 CO 0.01 -1.60 1.80 0.40 1.20 0.00 0.00 173.24 175.05 1tly h ILE 86 N 6.66 1.23 0.54 6.45 2.04 -1.41 -1.81 117.51 131.20 1tly h ILE 86 Ca -0.34 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1tly h ILE 86 Cb 1.17 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1tly h ILE 86 CO 1.02 0.32 -0.27 0.44 0.00 0.00 0.00 178.15 179.66 1tly h ASP 87 N 0.65 -0.66 -0.83 1.72 5.19 -1.81 0.57 116.42 121.25 1tly h ASP 87 Ca 0.13 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 56.74 1tly h ASP 87 Cb 0.40 0.18 -0.11 0.00 0.18 0.00 0.00 39.33 39.98 1tly h ASP 87 CO 0.02 -0.45 0.36 0.11 -3.12 0.00 0.00 179.24 176.16 1tly h LYS 88 N -0.74 0.46 0.00 3.56 6.56 -1.86 1.00 116.57 125.55 1tly h LYS 88 Ca -0.07 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1tly h LYS 88 Cb 0.57 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1tly h LYS 88 CO 0.11 0.30 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.73 1tly h LEU 89 N 0.47 -0.01 -0.72 2.94 3.38 -1.24 -3.09 115.31 117.05 1tly h LEU 89 Ca 0.48 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1tly h LEU 89 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1tly h LEU 89 CO -0.44 0.68 0.00 0.41 0.09 0.00 0.00 178.44 179.18 1tly n THR 90 N -4.76 0.82 -3.83 0.22 -1.04 0.20 -4.87 114.28 101.02 1tly n THR 90 Ca -0.09 0.23 -0.25 0.00 -2.04 0.00 0.00 64.05 61.90 1tly n THR 90 Cb 0.34 -1.17 0.02 0.00 -1.82 0.00 0.00 70.33 67.70 1tly n THR 90 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1tly n ASN 91 N -2.26 -2.13 -3.67 8.00 2.85 0.34 -4.97 115.26 113.42 1tly n ASN 91 Ca 0.02 -0.85 -0.18 0.00 -0.11 0.00 0.00 54.58 53.46 1tly n ASN 91 Cb 0.23 -3.78 -0.17 0.00 1.24 0.00 0.00 39.78 37.30 1tly n ASN 91 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1tly s THR 92 N -3.60 -0.20 -0.62 -0.44 2.01 -1.09 -5.04 115.64 106.66 1tly s THR 92 Ca 0.22 0.39 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 1tly s THR 92 Cb -0.11 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 72.09 1tly s THR 92 CO 0.84 0.16 2.26 -0.62 -0.69 0.00 0.00 174.62 176.56 1tly s ASP 93 N 2.23 4.54 0.00 3.53 -1.08 -1.26 -4.58 116.67 120.05 1tly s ASP 93 Ca 0.04 0.53 0.20 0.00 -0.52 0.00 0.00 52.55 52.80 1tly s ASP 93 Cb -0.12 -2.52 0.73 0.00 -1.46 0.00 0.00 42.92 39.55 1tly s ASP 93 CO -0.05 -3.00 1.53 0.18 0.52 0.00 0.00 175.17 174.36 1tly n LEU 94 N 15.75 1.69 -4.63 -1.34 4.77 -1.26 -4.94 117.00 127.05 1tly n LEU 94 Ca 0.36 -0.71 -0.45 0.00 -0.03 0.00 0.00 56.01 55.18 1tly n LEU 94 Cb 0.51 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1tly n LEU 94 CO 0.66 0.36 0.79 -0.24 -1.33 0.00 0.00 177.39 177.63 1tly n SER 95 N 0.34 1.98 -3.61 -1.43 2.88 -1.26 -4.93 113.62 107.59 1tly n SER 95 Ca 0.16 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.84 1tly n SER 95 Cb 0.33 -1.34 -0.05 0.00 -0.75 0.00 0.00 64.21 62.40 1tly n SER 95 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1tly s PHE 96 N -0.55 -1.16 0.00 0.66 5.36 -0.56 -5.05 117.98 116.69 1tly s PHE 96 Ca 0.65 2.08 0.00 0.00 -0.96 0.00 0.00 56.93 58.69 1tly s PHE 96 Cb -0.70 0.70 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 1tly s PHE 96 CO 0.55 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 174.15 1tly n GLY 97 N 5.07 2.66 0.14 13.12 0.00 -1.26 -1.74 105.19 123.17 1tly n GLY 97 Ca -0.14 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1tly n GLY 97 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tly h PRO 98 N 0.00 0.00 -6.15 1.61 0.11 -1.96 -3.42 132.00 122.19 1tly h PRO 98 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1tly h PRO 98 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1tly h PRO 98 CO 0.00 0.00 1.18 -0.06 -0.21 0.00 0.00 178.00 178.91 1tly s PHE 99 N -3.33 2.07 0.08 0.65 0.40 -0.71 0.96 117.98 118.09 1tly s PHE 99 Ca 0.04 0.18 -0.18 0.00 -0.60 0.00 0.00 56.93 56.37 1tly s PHE 99 Cb 0.09 -4.41 -0.09 0.00 0.51 0.00 0.00 43.02 39.12 1tly s PHE 99 CO 0.42 -2.11 1.47 0.87 0.70 0.00 0.00 175.22 176.57 1tly h LYS 100 N 11.69 0.46 -4.09 0.44 1.57 -1.48 -1.48 116.57 123.69 1tly h LYS 100 Ca -0.18 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.29 1tly h LYS 100 Cb 1.08 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.23 1tly h LYS 100 CO 1.27 0.70 -0.42 -2.00 -0.57 0.00 0.00 179.45 178.42 1tly s GLU 101 N -4.74 1.13 0.02 3.15 2.12 -1.24 -4.38 118.70 114.76 1tly s GLU 101 Ca -0.14 -1.30 0.06 0.00 0.36 0.00 0.00 54.97 53.95 1tly s GLU 101 Cb 0.07 0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.78 1tly s GLU 101 CO 0.76 -0.39 -0.17 -1.58 -0.54 0.00 0.00 175.26 173.34 1tly s TRP 102 N -4.01 1.48 0.10 5.30 0.52 -1.26 -2.83 118.94 118.24 1tly s TRP 102 Ca 0.22 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.03 1tly s TRP 102 Cb 0.05 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1tly s TRP 102 CO 0.02 0.03 -0.07 0.71 0.02 0.00 0.00 176.95 177.66 1tly s TYR 103 N -0.66 0.96 -0.50 -1.98 1.51 -0.16 -1.04 117.35 115.49 1tly s TYR 103 Ca 0.05 -0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 55.08 1tly s TYR 103 Cb -0.08 -0.54 0.07 0.00 -0.11 0.00 0.00 41.96 41.30 1tly s TYR 103 CO 0.01 -0.10 0.54 0.12 -1.11 0.00 0.00 175.55 175.01 1tly s PHE 104 N -3.43 3.12 -0.03 2.71 5.99 0.72 -0.10 117.98 126.96 1tly s PHE 104 Ca 0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 56.93 56.27 1tly s PHE 104 Cb 0.04 -3.42 -0.04 0.00 0.00 0.00 0.00 43.02 39.59 1tly s PHE 104 CO -0.03 -0.95 0.21 0.00 -0.00 0.00 0.00 175.22 174.45 1tly s ALA 105 N 2.24 3.88 -0.03 11.12 0.00 0.44 -1.25 121.76 138.17 1tly s ALA 105 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1tly s ALA 105 Cb -0.21 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1tly s ALA 105 CO 0.10 0.66 -0.00 -0.80 0.00 0.00 0.00 175.76 175.72 1tly s ASN 106 N -1.55 0.38 -0.28 0.00 -0.87 -0.66 -0.05 114.94 111.91 1tly s ASN 106 Ca 0.24 -0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.51 1tly s ASN 106 Cb -0.13 -0.19 0.08 0.00 -0.02 0.00 0.00 41.25 40.99 1tly s ASN 106 CO 0.13 -0.09 0.02 0.21 -2.57 0.00 0.00 177.10 174.80 1tly s ASN 107 N 0.91 4.02 -0.19 -1.22 2.47 0.10 -2.19 114.94 118.85 1tly s ASN 107 Ca -0.09 -1.49 -0.03 0.00 0.42 0.00 0.00 52.86 51.67 1tly s ASN 107 Cb -0.12 -1.13 -0.01 0.00 -1.45 0.00 0.00 41.25 38.53 1tly s ASN 107 CO -0.02 -0.33 -0.06 -0.47 -3.72 0.00 0.00 177.10 172.51 1tly s TYR 108 N 1.40 2.94 -0.13 0.43 5.04 0.05 0.16 117.35 127.23 1tly s TYR 108 Ca 0.03 -0.78 -0.00 0.00 -2.44 0.00 0.00 57.07 53.87 1tly s TYR 108 Cb -0.18 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 1tly s TYR 108 CO -0.12 -0.40 -0.12 0.42 -1.34 0.00 0.00 175.55 173.99 1tly s ILE 109 N 1.08 3.17 -0.05 3.14 1.09 0.14 -0.88 121.20 128.89 1tly s ILE 109 Ca 0.01 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 1tly s ILE 109 Cb -0.15 -2.33 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1tly s ILE 109 CO -0.01 0.52 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.80 1tly s TYR 110 N 0.31 1.06 -0.20 3.97 6.14 0.61 0.21 117.35 129.44 1tly s TYR 110 Ca -0.09 -0.33 -0.01 0.00 0.64 0.00 0.00 57.07 57.28 1tly s TYR 110 Cb -0.16 -0.81 0.05 0.00 0.42 0.00 0.00 41.96 41.47 1tly s TYR 110 CO 0.05 -0.19 -0.02 0.34 0.64 0.00 0.00 175.55 176.37 1tly s ASP 111 N 0.60 3.25 -0.00 4.32 3.68 0.21 -0.31 116.67 128.42 1tly s ASP 111 Ca -0.10 -0.91 0.07 0.00 2.13 0.00 0.00 52.55 53.74 1tly s ASP 111 Cb -0.13 -0.91 -0.09 0.00 -1.45 0.00 0.00 42.92 40.33 1tly s ASP 111 CO 0.02 -0.24 0.26 0.80 0.13 0.00 0.00 175.17 176.14 1tly n MET 112 N 4.85 3.08 0.00 4.34 0.00 -0.25 -1.18 117.12 127.96 1tly n MET 112 Ca -0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 57.70 57.57 1tly n MET 112 Cb 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 33.22 32.72 1tly n MET 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1tly n GLY 113 N 1.48 -1.64 3.30 -5.12 0.00 0.22 -4.36 105.19 99.06 1tly n GLY 113 Ca 0.00 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1tly n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tly s ARG 114 N 0.00 3.82 -0.15 1.61 1.70 -1.26 -4.75 118.95 119.92 1tly s ARG 114 Ca 0.00 -2.95 -0.01 0.00 -0.47 0.00 0.00 55.73 52.30 1tly s ARG 114 Cb 0.00 -4.40 -0.01 0.00 -0.57 0.00 0.00 34.95 29.97 1tly s ARG 114 CO 0.00 -1.26 -0.11 1.21 -1.08 0.00 0.00 175.30 174.06 1tly s ASN 115 N 1.38 4.13 0.00 -2.89 2.47 -1.26 -5.03 114.94 113.73 1tly s ASN 115 Ca 0.25 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1tly s ASN 115 Cb -0.10 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 38.05 1tly s ASN 115 CO -0.09 0.14 0.00 1.17 -3.72 0.00 0.00 177.10 174.60 1tly n LYS 116 N 3.71 0.00 -3.72 0.43 0.00 -1.26 -2.92 118.16 114.40 1tly n LYS 116 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 57.85 1tly n LYS 116 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.44 1tly n LYS 116 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1tly s ASP 117 N -1.56 3.60 0.00 3.14 -4.77 -1.26 -5.09 116.67 110.73 1tly s ASP 117 Ca 0.00 -3.44 0.00 0.00 -3.30 0.00 0.00 52.55 45.81 1tly s ASP 117 Cb 0.00 -1.19 0.00 0.00 -1.09 0.00 0.00 42.92 40.64 1tly s ASP 117 CO 0.00 -0.14 0.00 0.61 0.70 0.00 0.00 175.17 176.34 1tly n GLY 118 N 2.46 -1.41 3.53 2.12 0.00 -1.15 -3.38 105.19 107.36 1tly n GLY 118 Ca 0.21 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 1tly n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tly s ARG 119 N 0.00 1.88 -0.04 1.61 0.52 -1.26 -4.24 118.95 117.42 1tly s ARG 119 Ca 0.00 -2.12 0.05 0.00 -0.52 0.00 0.00 55.73 53.13 1tly s ARG 119 Cb 0.00 -0.85 -0.00 0.00 0.52 0.00 0.00 34.95 34.61 1tly s ARG 119 CO 0.00 -0.36 -0.18 -1.14 0.02 0.00 0.00 175.30 173.65 1tly s GLN 120 N -3.79 1.83 -0.30 3.54 0.74 -0.32 -2.05 119.66 119.31 1tly s GLN 120 Ca 0.26 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 1tly s GLN 120 Cb 0.05 -1.60 0.10 0.00 1.10 0.00 0.00 33.01 32.66 1tly s GLN 120 CO 0.13 0.26 0.14 0.45 -0.55 0.00 0.00 175.29 175.72 1tly s SER 121 N -0.01 3.56 -0.10 6.67 0.15 0.46 0.64 113.70 125.08 1tly s SER 121 Ca -0.03 -1.47 0.03 0.00 0.70 0.00 0.00 55.95 55.18 1tly s SER 121 Cb -0.11 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 1tly s SER 121 CO 0.02 -0.42 -0.20 -0.89 1.20 0.00 0.00 173.24 172.95 1tly s THR 122 N 1.88 2.47 -0.24 6.45 2.01 0.13 -1.67 115.64 126.67 1tly s THR 122 Ca 0.10 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1tly s THR 122 Cb -0.17 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.43 1tly s THR 122 CO -0.30 0.55 -0.08 0.86 -0.69 0.00 0.00 174.62 174.96 1tly s TRP 123 N 0.13 2.73 -0.23 4.92 -0.00 -0.99 0.26 118.94 125.75 1tly s TRP 123 Ca -0.10 -1.96 -0.11 0.00 -0.00 0.00 0.00 56.10 53.93 1tly s TRP 123 Cb -0.16 -1.72 -0.05 0.00 -0.00 0.00 0.00 33.47 31.55 1tly s TRP 123 CO 0.06 -0.81 0.18 0.71 -0.00 0.00 0.00 176.95 177.09 1tly s TYR 124 N 1.28 3.33 0.03 5.86 1.51 0.12 -1.76 117.35 127.73 1tly s TYR 124 Ca -0.07 0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1tly s TYR 124 Cb -0.19 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.35 1tly s TYR 124 CO -0.06 0.07 -0.09 0.00 -1.11 0.00 0.00 175.55 174.36 1tly s MET 125 N 1.04 0.65 0.00 -0.62 0.23 0.60 0.03 119.30 121.24 1tly s MET 125 Ca 0.09 -0.62 0.00 0.00 -1.03 0.00 0.00 55.69 54.13 1tly s MET 125 Cb -0.13 -0.55 0.00 0.00 -1.53 0.00 0.00 34.83 32.61 1tly s MET 125 CO 0.04 0.13 0.00 0.41 -2.03 0.00 0.00 175.02 173.57 1tly n GLY 126 N 1.97 -0.58 3.71 3.16 0.00 0.92 -0.12 105.19 114.25 1tly n GLY 126 Ca -0.19 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1tly n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tly s LEU 127 N 0.00 4.19 0.48 0.99 1.98 -0.81 0.17 118.68 125.68 1tly s LEU 127 Ca 0.00 0.29 0.02 0.00 -2.89 0.00 0.00 54.13 51.55 1tly s LEU 127 Cb 0.00 -2.19 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 1tly s LEU 127 CO 0.00 0.11 0.02 -0.83 -1.89 0.00 0.00 176.35 173.76 1tly s GLY 128 N 0.62 2.91 -0.02 7.98 0.00 0.86 -1.50 107.32 118.16 1tly s GLY 128 Ca 0.11 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 1tly s GLY 128 CO 0.02 -2.13 0.91 -1.08 0.00 0.00 0.00 173.10 170.82 1tly s THR 129 N -2.92 0.00 -0.13 0.90 -1.32 0.20 -0.98 115.64 111.39 1tly s THR 129 Ca 0.11 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1tly s THR 129 Cb 0.03 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1tly s THR 129 CO 0.06 0.00 -0.11 -1.81 -2.21 0.00 0.00 174.62 170.55 1tly s ASP 130 N -2.42 4.20 -0.12 8.08 1.01 -1.13 -1.92 116.67 124.38 1tly s ASP 130 Ca 0.05 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.01 1tly s ASP 130 Cb -0.01 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.30 1tly s ASP 130 CO -0.08 0.18 0.02 -0.63 0.21 0.00 0.00 175.17 174.87 1tly s ILE 131 N 0.24 4.43 -0.53 0.77 1.09 0.11 -1.40 121.20 125.91 1tly s ILE 131 Ca -0.07 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.13 1tly s ILE 131 Cb -0.15 -2.91 0.12 0.00 -1.06 0.00 0.00 42.46 38.46 1tly s ILE 131 CO 0.05 0.56 0.49 -0.62 -0.10 0.00 0.00 174.94 175.31 1tly s ASP 132 N -0.40 6.18 0.00 3.58 3.68 0.27 -3.97 116.67 126.01 1tly s ASP 132 Ca 0.08 -1.70 0.28 0.00 2.13 0.00 0.00 52.55 53.34 1tly s ASP 132 Cb -0.12 -2.21 1.12 0.00 -1.45 0.00 0.00 42.92 40.26 1tly s ASP 132 CO 0.02 -0.83 1.81 0.35 0.13 0.00 0.00 175.17 176.65 1tly n THR 133 N 5.25 0.00 -0.98 1.71 -2.24 -1.26 -4.73 114.28 112.03 1tly n THR 133 Ca -0.14 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1tly n THR 133 Cb 0.41 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1tly n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tly n GLY 134 N 1.37 0.37 3.70 3.38 0.00 -1.26 -4.98 105.19 107.76 1tly n GLY 134 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1tly n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tly s LEU 135 N 0.00 3.13 -1.52 0.99 1.43 -1.26 -5.03 118.68 116.41 1tly s LEU 135 Ca 0.00 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1tly s LEU 135 Cb 0.00 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1tly s LEU 135 CO 0.00 -0.33 2.56 -2.65 0.23 0.00 0.00 176.35 176.16 1tly n PRO 136 N -1.10 3.35 -3.92 1.29 -0.02 -1.26 -4.83 135.00 128.52 1tly n PRO 136 Ca -0.03 -2.50 -0.09 0.00 -2.02 0.00 0.00 63.50 58.86 1tly n PRO 136 Cb 0.62 -3.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.06 1tly n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tly s MET 137 N 2.41 1.86 0.04 -0.52 0.23 -1.26 -4.24 119.30 117.81 1tly s MET 137 Ca 0.57 -1.29 0.09 0.00 -1.03 0.00 0.00 55.69 54.04 1tly s MET 137 Cb 0.16 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 33.98 1tly s MET 137 CO -0.07 -0.83 -0.26 -1.12 -2.03 0.00 0.00 175.02 170.71 1tly s SER 138 N -3.03 3.14 -0.06 -1.18 0.01 0.20 -4.84 113.70 107.94 1tly s SER 138 Ca 0.18 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 1tly s SER 138 Cb -0.03 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 65.94 1tly s SER 138 CO 0.11 0.26 0.11 -0.22 0.41 0.00 0.00 173.24 173.91 1tly s LEU 139 N -1.20 0.62 0.02 2.44 1.98 -1.25 -1.40 118.68 119.88 1tly s LEU 139 Ca 0.11 0.22 0.04 0.00 -2.89 0.00 0.00 54.13 51.62 1tly s LEU 139 Cb -0.10 0.20 -0.02 0.00 0.66 0.00 0.00 46.19 46.93 1tly s LEU 139 CO 0.02 -0.17 -0.12 -0.44 -1.89 0.00 0.00 176.35 173.74 1tly s SER 140 N 1.44 1.46 -0.02 3.68 0.01 -0.10 0.09 113.70 120.26 1tly s SER 140 Ca -0.06 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1tly s SER 140 Cb -0.12 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1tly s SER 140 CO -0.05 0.07 -0.07 -0.04 0.41 0.00 0.00 173.24 173.56 1tly s MET 141 N -0.77 0.70 0.02 12.44 -1.94 -0.81 -1.57 119.30 127.37 1tly s MET 141 Ca 0.02 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 1tly s MET 141 Cb -0.06 -0.68 -0.02 0.00 2.01 0.00 0.00 34.83 36.07 1tly s MET 141 CO 0.00 0.09 -0.03 -0.80 -0.01 0.00 0.00 175.02 174.27 1tly s ASN 142 N 0.16 0.28 -0.04 3.03 0.01 0.10 -0.63 114.94 117.85 1tly s ASN 142 Ca -0.02 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 1tly s ASN 142 Cb -0.07 0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.68 1tly s ASN 142 CO -0.00 -0.24 -0.09 0.68 -1.51 0.00 0.00 177.10 175.95 1tly s VAL 143 N -1.21 0.81 0.27 1.60 -7.23 -0.56 -0.78 120.40 113.29 1tly s VAL 143 Ca -0.13 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 1tly s VAL 143 Cb -0.08 -0.76 -0.06 0.00 0.56 0.00 0.00 36.38 36.04 1tly s VAL 143 CO -0.01 0.27 0.05 -0.31 -0.31 0.00 0.00 175.10 174.79 1tly s TYR 144 N 0.57 1.67 0.21 2.82 1.51 0.14 -1.92 117.35 122.35 1tly s TYR 144 Ca -0.10 -1.01 0.10 0.00 -1.01 0.00 0.00 57.07 55.05 1tly s TYR 144 Cb -0.13 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.66 1tly s TYR 144 CO 0.01 -0.11 -0.20 0.00 -1.11 0.00 0.00 175.55 174.14 1tly s ALA 145 N -3.48 2.35 0.02 3.71 0.00 0.82 -2.48 121.76 122.70 1tly s ALA 145 Ca 0.34 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1tly s ALA 145 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1tly s ALA 145 CO 0.12 0.27 0.02 -1.59 0.00 0.00 0.00 175.76 174.58 1tly s LYS 146 N -3.09 0.39 -0.13 0.00 -2.85 -1.16 -0.29 119.74 112.61 1tly s LYS 146 Ca 0.22 -0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 54.57 1tly s LYS 146 Cb -0.05 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1tly s LYS 146 CO 0.10 -0.08 -0.06 -0.47 0.10 0.00 0.00 175.35 174.94 1tly s TYR 147 N -1.64 2.96 -0.16 1.78 5.04 -0.72 -1.76 117.35 122.86 1tly s TYR 147 Ca -0.14 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.15 1tly s TYR 147 Cb -0.08 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 1tly s TYR 147 CO -0.01 0.03 0.04 -1.14 -1.34 0.00 0.00 175.55 173.13 1tly s GLN 148 N 0.05 3.77 0.00 4.97 2.00 0.63 -2.35 119.66 128.73 1tly s GLN 148 Ca -0.01 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 52.97 1tly s GLN 148 Cb -0.14 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.57 1tly s GLN 148 CO 0.03 0.34 0.00 0.91 -0.50 0.00 0.00 175.29 176.07 1tly n TRP 149 N 3.29 0.00 -2.74 1.67 8.01 -0.67 0.18 117.44 127.18 1tly n TRP 149 Ca -0.17 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.62 1tly n TRP 149 Cb 0.53 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.77 1tly n TRP 149 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1tly s GLN 150 N 1.91 4.82 -0.40 -0.99 1.11 -1.25 -1.68 119.66 123.17 1tly s GLN 150 Ca 0.00 1.49 0.10 0.00 0.01 0.00 0.00 55.36 56.96 1tly s GLN 150 Cb 0.00 -3.30 0.33 0.00 -1.01 0.00 0.00 33.01 29.03 1tly s GLN 150 CO 0.00 0.45 0.81 -1.71 0.01 0.00 0.00 175.29 174.85 1tly n ASN 151 N 1.76 -0.11 -3.31 5.90 4.05 -1.15 -0.40 115.26 122.00 1tly n ASN 151 Ca -0.01 -3.17 -0.22 0.00 0.45 0.00 0.00 54.58 51.64 1tly n ASN 151 Cb 0.47 0.08 -0.01 0.00 1.23 0.00 0.00 39.78 41.55 1tly n ASN 151 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1tly n TYR 152 N 0.42 -1.72 -1.15 1.20 4.02 -0.87 -0.06 117.16 119.01 1tly n TYR 152 Ca 0.20 0.41 -0.05 0.00 -0.01 0.00 0.00 57.90 58.44 1tly n TYR 152 Cb 0.66 -2.65 -0.02 0.00 -0.02 0.00 0.00 39.34 37.31 1tly n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tly n GLY 153 N -1.07 0.76 3.73 2.72 0.00 -1.22 -4.71 105.19 105.40 1tly n GLY 153 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1tly n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tly s ALA 154 N -2.13 1.67 -1.31 4.61 0.00 0.92 -4.92 121.76 120.59 1tly s ALA 154 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 51.96 52.10 1tly s ALA 154 Cb 0.00 -3.21 0.66 0.00 0.00 0.00 0.00 23.12 20.57 1tly s ALA 154 CO 0.00 -2.25 1.38 0.00 0.00 0.00 0.00 175.76 174.89 1tly n ALA 155 N -3.82 1.74 -1.02 0.00 0.00 -1.26 -2.87 120.51 113.27 1tly n ALA 155 Ca 0.07 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1tly n ALA 155 Cb 0.55 -1.22 0.29 0.00 0.00 0.00 0.00 19.45 19.07 1tly n ALA 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tly n ASN 156 N -1.34 4.29 -4.79 0.00 6.94 -1.26 -4.98 115.26 114.11 1tly n ASN 156 Ca 0.06 -3.09 -0.34 0.00 -0.02 0.00 0.00 54.58 51.19 1tly n ASN 156 Cb 0.12 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 36.93 1tly n ASN 156 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1tly s GLU 157 N -2.87 3.47 -0.52 -3.83 2.02 -1.14 -4.38 118.70 111.45 1tly s GLU 157 Ca 0.47 1.37 -0.29 0.00 0.02 0.00 0.00 54.97 56.54 1tly s GLU 157 Cb 0.38 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.60 1tly s GLU 157 CO 0.10 -0.71 0.65 0.09 0.02 0.00 0.00 175.26 175.41 1tly n ASN 158 N -1.49 -5.80 0.00 -0.19 4.13 0.13 -4.93 115.26 107.11 1tly n ASN 158 Ca 0.10 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1tly n ASN 158 Cb 0.52 -2.28 0.00 0.00 -1.54 0.00 0.00 39.78 36.48 1tly n ASN 158 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1tly n GLU 159 N -0.66 0.00 -3.00 3.52 0.28 -0.78 -4.98 120.64 115.03 1tly n GLU 159 Ca -0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.49 1tly n GLU 159 Cb 0.65 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.47 1tly n GLU 159 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1tly s TRP 160 N -2.00 3.32 -0.06 -1.84 0.52 -1.26 -0.27 118.94 117.35 1tly s TRP 160 Ca 0.00 1.01 -0.02 0.00 0.02 0.00 0.00 56.10 57.11 1tly s TRP 160 Cb 0.00 -2.94 0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1tly s TRP 160 CO 0.00 -0.33 0.11 0.34 0.02 0.00 0.00 176.95 177.09 1tly s ASP 161 N 1.34 0.70 0.35 2.95 3.68 -0.72 -4.96 116.67 120.02 1tly s ASP 161 Ca 0.31 0.21 0.00 0.00 2.13 0.00 0.00 52.55 55.20 1tly s ASP 161 Cb -0.16 0.08 0.00 0.00 -1.45 0.00 0.00 42.92 41.39 1tly s ASP 161 CO 0.09 -0.22 0.00 0.61 0.13 0.00 0.00 175.17 175.77 1tly n GLY 162 N 5.05 -2.21 3.29 2.66 0.00 -1.24 -4.44 105.19 108.29 1tly n GLY 162 Ca -0.09 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1tly n GLY 162 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tly s TYR 163 N -2.60 1.42 -0.06 1.61 1.51 0.25 -2.96 117.35 116.50 1tly s TYR 163 Ca 0.00 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1tly s TYR 163 Cb 0.00 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1tly s TYR 163 CO 0.00 -0.17 0.14 0.50 -1.11 0.00 0.00 175.55 174.90 1tly s ARG 164 N -3.92 0.09 -0.23 -0.62 3.52 -1.04 -1.72 118.95 115.03 1tly s ARG 164 Ca 0.29 0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 56.18 1tly s ARG 164 Cb 0.06 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1tly s ARG 164 CO 0.08 -0.15 0.00 0.12 -0.81 0.00 0.00 175.30 174.54 1tly s PHE 165 N 1.04 3.01 -0.14 5.12 5.36 0.45 -0.69 117.98 132.14 1tly s PHE 165 Ca -0.08 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.20 1tly s PHE 165 Cb -0.10 -2.15 -0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1tly s PHE 165 CO -0.05 -0.44 -0.14 0.21 -1.46 0.00 0.00 175.22 173.34 1tly s LYS 166 N 1.46 3.30 -0.12 10.12 2.20 0.04 -0.87 119.74 135.87 1tly s LYS 166 Ca 0.05 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1tly s LYS 166 Cb -0.15 -2.62 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1tly s LYS 166 CO -0.00 0.11 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.49 1tly s ILE 167 N 0.59 1.27 0.05 5.43 2.07 -0.76 -0.72 121.20 129.13 1tly s ILE 167 Ca -0.09 -0.47 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 1tly s ILE 167 Cb -0.16 -1.22 -0.03 0.00 0.13 0.00 0.00 42.46 41.19 1tly s ILE 167 CO 0.03 0.40 -0.11 -1.59 -1.91 0.00 0.00 174.94 171.77 1tly s LYS 168 N 1.38 0.69 -0.06 3.50 -2.85 -0.61 -0.63 119.74 121.16 1tly s LYS 168 Ca 0.00 -0.82 -0.07 0.00 -1.00 0.00 0.00 55.97 54.09 1tly s LYS 168 Cb -0.13 -0.59 0.02 0.00 -2.06 0.00 0.00 37.83 35.06 1tly s LYS 168 CO -0.06 0.13 0.19 1.52 0.10 0.00 0.00 175.35 177.22 1tly s TYR 169 N -1.22 -0.17 -0.08 1.78 -0.85 0.14 -0.92 117.35 116.03 1tly s TYR 169 Ca -0.05 0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.92 1tly s TYR 169 Cb -0.09 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 1tly s TYR 169 CO 0.01 -0.14 -0.13 0.12 -1.52 0.00 0.00 175.55 173.89 1tly s PHE 170 N -0.19 2.75 -0.25 -3.49 5.36 -0.50 -1.57 117.98 120.10 1tly s PHE 170 Ca -0.03 -0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1tly s PHE 170 Cb -0.03 -1.70 0.09 0.00 -0.34 0.00 0.00 43.02 41.04 1tly s PHE 170 CO 0.01 0.07 0.13 0.08 -1.46 0.00 0.00 175.22 174.04 1tly s VAL 171 N -0.38 -0.10 0.17 3.12 1.01 0.41 -0.63 120.40 124.00 1tly s VAL 171 Ca 0.04 -0.52 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 1tly s VAL 171 Cb -0.12 -0.83 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 1tly s VAL 171 CO 0.02 -0.54 1.60 -2.84 0.00 0.00 0.00 175.10 173.34 1tly s PRO 172 N 2.13 4.20 0.00 2.72 0.02 -1.26 -1.06 135.00 141.76 1tly s PRO 172 Ca 0.07 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1tly s PRO 172 Cb -0.16 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1tly s PRO 172 CO -0.26 -0.64 0.00 -0.89 -0.33 0.00 0.00 177.00 174.88 1tly n ILE 173 N 4.02 0.00 -2.50 2.83 5.41 -0.88 -4.90 119.36 123.34 1tly n ILE 173 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1tly n ILE 173 Cb 0.38 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1tly n ILE 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1tly n THR 174 N -1.35 0.00 -4.26 1.39 -2.24 -0.96 -5.03 114.28 101.84 1tly n THR 174 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1tly n THR 174 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1tly n THR 174 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1tly s ASP 175 N 1.04 4.58 -0.02 3.42 1.01 -1.26 -0.77 116.67 124.67 1tly s ASP 175 Ca 0.00 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1tly s ASP 175 Cb 0.00 -1.76 0.02 0.00 1.01 0.00 0.00 42.92 42.19 1tly s ASP 175 CO 0.00 0.10 -0.01 -0.22 0.21 0.00 0.00 175.17 175.25 1tly s LEU 176 N 0.79 1.40 -1.43 1.23 1.98 0.12 -4.86 118.68 117.91 1tly s LEU 176 Ca -0.01 -0.04 -0.11 0.00 -2.89 0.00 0.00 54.13 51.08 1tly s LEU 176 Cb -0.15 -0.21 0.08 0.00 0.66 0.00 0.00 46.19 46.58 1tly s LEU 176 CO 0.02 -0.06 0.67 0.79 -1.89 0.00 0.00 176.35 175.88 1tly n TRP 177 N 3.82 -1.95 -0.36 5.38 8.01 -1.26 -0.83 117.44 130.25 1tly n TRP 177 Ca -0.23 0.63 0.00 0.00 -1.31 0.00 0.00 57.50 56.58 1tly n TRP 177 Cb 0.53 -3.42 0.00 0.00 -2.01 0.00 0.00 31.31 26.40 1tly n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1tly n GLY 178 N -1.38 1.75 1.95 6.99 0.00 -1.26 -5.01 105.19 108.24 1tly n GLY 178 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1tly n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tly n GLY 179 N -2.00 3.54 3.20 -0.02 0.00 -0.01 -4.92 105.19 104.98 1tly n GLY 179 Ca 0.00 -2.28 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 1tly n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tly s GLN 180 N -3.04 2.38 0.10 1.61 -0.21 -0.04 -0.70 119.66 119.76 1tly s GLN 180 Ca 0.05 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 1tly s GLN 180 Cb -0.00 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 1tly s GLN 180 CO 0.03 -0.83 0.96 -1.17 -2.12 0.00 0.00 175.29 172.16 1tly s LEU 181 N 1.29 4.48 0.20 2.90 2.96 0.05 -1.72 118.68 128.84 1tly s LEU 181 Ca 0.01 1.77 -0.05 0.00 -0.22 0.00 0.00 54.13 55.64 1tly s LEU 181 Cb -0.21 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 1tly s LEU 181 CO -0.00 -0.09 0.23 -0.94 -1.32 0.00 0.00 176.35 174.23 1tly s SER 182 N 0.12 0.10 -0.04 3.68 1.04 0.19 -2.07 113.70 116.71 1tly s SER 182 Ca 0.47 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.78 1tly s SER 182 Cb -0.23 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1tly s SER 182 CO 0.29 -0.91 -0.20 -0.47 0.98 0.00 0.00 173.24 172.94 1tly s TYR 183 N -4.08 1.92 0.02 5.02 5.04 -0.22 -1.15 117.35 123.89 1tly s TYR 183 Ca 0.30 -0.52 0.05 0.00 -2.44 0.00 0.00 57.07 54.46 1tly s TYR 183 Cb 0.05 -1.27 -0.02 0.00 0.35 0.00 0.00 41.96 41.07 1tly s TYR 183 CO 0.08 -0.15 -0.14 0.42 -1.34 0.00 0.00 175.55 174.42 1tly s ILE 184 N -0.13 1.11 -0.17 3.14 1.01 0.43 -0.45 121.20 126.15 1tly s ILE 184 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1tly s ILE 184 Cb -0.11 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.44 1tly s ILE 184 CO 0.02 0.14 0.42 -0.83 0.00 0.00 0.00 174.94 174.69 1tly s GLY 185 N -0.79 -0.34 0.03 6.18 0.00 -0.61 0.52 107.32 112.31 1tly s GLY 185 Ca 0.03 1.48 -0.10 0.00 0.00 0.00 0.00 44.72 46.13 1tly s GLY 185 CO 0.00 1.54 0.21 -0.11 0.00 0.00 0.00 173.10 174.74 1tly s PHE 186 N 1.10 0.01 -0.04 1.90 -0.12 -1.02 0.24 117.98 120.05 1tly s PHE 186 Ca -0.07 -0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1tly s PHE 186 Cb -0.07 -0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1tly s PHE 186 CO -0.09 -0.41 0.09 0.99 -0.05 0.00 0.00 175.22 175.74 1tly s THR 187 N -2.20 -0.02 -0.36 -4.49 2.01 0.19 -0.39 115.64 110.38 1tly s THR 187 Ca -0.08 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1tly s THR 187 Cb -0.03 -0.14 0.07 0.00 0.01 0.00 0.00 72.50 72.41 1tly s THR 187 CO -0.02 0.03 0.14 0.20 -0.69 0.00 0.00 174.62 174.28 1tly s ASN 188 N 0.47 5.28 -0.34 3.53 0.02 -0.65 -1.82 114.94 121.43 1tly s ASN 188 Ca -0.04 -1.46 -0.15 0.00 -1.02 0.00 0.00 52.86 50.20 1tly s ASN 188 Cb -0.05 -1.85 -0.01 0.00 0.02 0.00 0.00 41.25 39.35 1tly s ASN 188 CO -0.02 -0.41 0.34 -0.36 0.02 0.00 0.00 177.10 176.67 1tly s PHE 189 N 1.31 3.21 -0.07 2.20 0.40 -0.05 -2.51 117.98 122.49 1tly s PHE 189 Ca 0.01 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1tly s PHE 189 Cb -0.21 -2.63 -0.02 0.00 0.51 0.00 0.00 43.02 40.67 1tly s PHE 189 CO 0.00 -0.41 -0.13 -0.51 0.70 0.00 0.00 175.22 174.87 1tly s ASP 190 N 1.73 4.09 0.28 1.36 -0.00 0.26 -0.41 116.67 123.97 1tly s ASP 190 Ca 0.11 -0.20 -0.21 0.00 -0.00 0.00 0.00 52.55 52.25 1tly s ASP 190 Cb -0.17 -1.01 0.02 0.00 -0.00 0.00 0.00 42.92 41.76 1tly s ASP 190 CO 0.11 0.32 0.73 -1.66 -0.00 0.00 0.00 175.17 174.67 1tly s TRP 191 N -0.55 -0.18 0.00 4.23 -2.14 -0.70 -0.28 118.94 119.33 1tly s TRP 191 Ca 0.08 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.55 1tly s TRP 191 Cb -0.12 0.71 0.00 0.00 -3.10 0.00 0.00 33.47 30.97 1tly s TRP 191 CO 0.01 -1.24 0.00 0.41 -2.66 0.00 0.00 176.95 173.48 1tly n GLY 192 N -0.46 1.55 3.63 3.67 0.00 -1.17 -0.58 105.19 111.82 1tly n GLY 192 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1tly n GLY 192 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tly s SER 193 N -3.27 2.36 0.00 1.61 0.15 -0.55 -3.64 113.70 110.35 1tly s SER 193 Ca 0.00 1.51 0.15 0.00 0.70 0.00 0.00 55.95 58.32 1tly s SER 193 Cb 0.00 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 62.18 1tly s SER 193 CO 0.00 -3.34 0.91 -0.90 1.20 0.00 0.00 173.24 171.11 1tly n ASP 194 N -4.34 1.95 -3.19 5.45 5.75 -1.26 -4.66 116.55 116.24 1tly n ASP 194 Ca 0.06 -1.47 -0.27 0.00 -0.01 0.00 0.00 54.79 53.09 1tly n ASP 194 Cb 0.55 0.22 0.26 0.00 -1.03 0.00 0.00 41.12 41.12 1tly n ASP 194 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1tly n LEU 195 N 0.39 0.00 0.00 -2.12 4.77 -1.26 -1.81 117.00 116.97 1tly n LEU 195 Ca 0.08 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1tly n LEU 195 Cb 0.36 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1tly n LEU 195 CO 0.14 -2.69 0.00 0.61 -1.33 0.00 0.00 177.39 174.12 1tly n GLY 196 N -5.11 0.98 0.19 -0.72 0.00 -1.26 -3.99 105.19 95.28 1tly n GLY 196 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1tly n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tly h ASP 197 N 0.00 -0.33 -0.18 1.61 3.32 -1.81 -3.15 116.42 115.88 1tly h ASP 197 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1tly h ASP 197 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1tly h ASP 197 CO 0.00 -0.11 0.00 0.47 -1.72 0.00 0.00 179.24 177.88 1tly n ASP 198 N -5.19 1.90 -4.69 6.45 10.43 -0.75 -4.85 116.55 119.85 1tly n ASP 198 Ca -0.10 -2.17 -0.28 0.00 2.57 0.00 0.00 54.79 54.82 1tly n ASP 198 Cb 0.22 -0.41 -0.09 0.00 1.84 0.00 0.00 41.12 42.68 1tly n ASP 198 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1tly s SER 199 N -0.49 4.11 0.22 -2.24 0.01 -1.19 -4.79 113.70 109.33 1tly s SER 199 Ca 0.15 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1tly s SER 199 Cb 0.10 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1tly s SER 199 CO 0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1tly n GLY 200 N -1.12 -0.59 3.86 3.44 0.00 -1.26 -4.81 105.19 104.71 1tly n GLY 200 Ca -0.06 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 1tly n GLY 200 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tly s ASN 201 N -1.00 4.98 0.40 1.61 0.01 -1.26 -2.47 114.94 117.22 1tly s ASN 201 Ca 0.00 -0.78 0.08 0.00 -0.71 0.00 0.00 52.86 51.44 1tly s ASN 201 Cb 0.00 -0.55 0.01 0.00 0.41 0.00 0.00 41.25 41.12 1tly s ASN 201 CO 0.00 -0.65 0.55 0.00 -1.51 0.00 0.00 177.10 175.49 1tly s ALA 202 N -2.49 4.47 0.38 0.60 0.00 0.25 -4.63 121.76 120.33 1tly s ALA 202 Ca 0.47 -1.63 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1tly s ALA 202 Cb -0.02 -1.64 0.88 0.00 0.00 0.00 0.00 23.12 22.34 1tly s ALA 202 CO 0.27 -0.23 1.89 0.82 0.00 0.00 0.00 175.76 178.52 1tly h ILE 203 N 0.69 0.84 -0.78 0.00 2.04 -1.01 -0.56 117.51 118.74 1tly h ILE 203 Ca -0.41 -0.21 0.23 0.00 1.00 0.00 0.00 64.86 65.47 1tly h ILE 203 Cb 1.27 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1tly h ILE 203 CO 0.47 0.11 0.57 -1.13 0.00 0.00 0.00 178.15 178.17 1tly h ASN 204 N 0.61 0.00 0.00 1.72 -1.24 -1.92 -3.46 115.58 111.28 1tly h ASN 204 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1tly h ASN 204 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1tly h ASN 204 CO -0.17 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.58 1tly n GLY 205 N -1.69 3.00 3.77 1.57 0.00 -0.22 -4.96 105.19 106.66 1tly n GLY 205 Ca 0.16 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1tly n GLY 205 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1tly s ILE 206 N -0.78 1.99 0.53 -0.61 -4.36 -1.26 -4.60 121.20 112.12 1tly s ILE 206 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.22 1tly s ILE 206 Cb 0.00 -2.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 1tly s ILE 206 CO 0.00 0.00 1.02 -0.54 0.24 0.00 0.00 174.94 175.66 1tly s LYS 207 N -5.23 3.68 0.03 0.37 1.02 -1.26 -0.58 119.74 117.76 1tly s LYS 207 Ca 0.64 1.17 -0.17 0.00 0.02 0.00 0.00 55.97 57.63 1tly s LYS 207 Cb -0.15 -2.09 -0.29 0.00 -0.52 0.00 0.00 37.83 34.78 1tly s LYS 207 CO 0.54 -0.51 1.07 1.79 -0.92 0.00 0.00 175.35 177.31 1tly h THR 208 N 0.95 1.35 -0.59 2.17 1.35 -1.74 -3.43 112.91 112.97 1tly h THR 208 Ca -0.48 -2.40 -0.58 0.00 -0.55 0.00 0.00 66.41 62.40 1tly h THR 208 Cb 1.21 2.76 -0.05 0.00 -1.73 0.00 0.00 68.15 70.34 1tly h THR 208 CO 0.59 0.72 -0.30 -0.13 -0.25 0.00 0.00 175.52 176.15 1tly s ARG 209 N -2.93 2.26 0.02 4.72 1.81 -1.26 -1.03 118.95 122.53 1tly s ARG 209 Ca -0.11 -2.01 0.04 0.00 -1.72 0.00 0.00 55.73 51.93 1tly s ARG 209 Cb 0.04 -2.11 -0.01 0.00 -0.45 0.00 0.00 34.95 32.42 1tly s ARG 209 CO 0.90 -0.61 -0.12 0.99 -0.68 0.00 0.00 175.30 175.78 1tly s THR 210 N -2.77 0.91 -0.05 0.02 2.01 -0.11 -4.20 115.64 111.45 1tly s THR 210 Ca 0.34 -0.73 0.26 0.00 0.31 0.00 0.00 61.69 61.88 1tly s THR 210 Cb -0.02 -0.81 0.29 0.00 0.01 0.00 0.00 72.50 71.97 1tly s THR 210 CO 0.21 0.08 1.78 0.78 -0.69 0.00 0.00 174.62 176.78 1tly h ASN 211 N 5.37 0.00 -3.73 3.53 -0.26 -1.83 -3.40 115.58 115.26 1tly h ASN 211 Ca -0.35 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 54.87 1tly h ASN 211 Cb 1.18 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.31 1tly h ASN 211 CO 0.46 0.13 -0.52 0.54 -1.06 0.00 0.00 177.43 176.98 1tly s ASN 212 N -6.07 2.44 -0.28 5.81 2.20 -1.26 -1.49 114.94 116.30 1tly s ASN 212 Ca 0.03 -1.66 -0.27 0.00 -0.94 0.00 0.00 52.86 50.02 1tly s ASN 212 Cb 0.08 0.47 0.18 0.00 -2.00 0.00 0.00 41.25 39.99 1tly s ASN 212 CO 0.63 -0.93 1.35 -0.55 -2.94 0.00 0.00 177.10 174.66 1tly s SER 213 N -3.54 -0.09 -0.02 3.54 0.15 0.62 -4.58 113.70 109.79 1tly s SER 213 Ca 0.28 0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.10 1tly s SER 213 Cb 0.03 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1tly s SER 213 CO 0.17 -0.05 -0.14 -0.63 1.20 0.00 0.00 173.24 173.78 1tly s ILE 214 N -0.54 1.15 -0.23 6.45 1.01 -0.60 -0.58 121.20 127.86 1tly s ILE 214 Ca 0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 1tly s ILE 214 Cb -0.03 -0.97 0.08 0.00 0.01 0.00 0.00 42.46 41.55 1tly s ILE 214 CO -0.10 0.33 0.09 0.00 0.00 0.00 0.00 174.94 175.26 1tly s ALA 215 N -0.19 0.73 -0.08 9.38 0.00 -1.04 -0.55 121.76 130.00 1tly s ALA 215 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1tly s ALA 215 Cb -0.07 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1tly s ALA 215 CO 0.00 -1.39 -0.01 0.45 0.00 0.00 0.00 175.76 174.81 1tly s SER 216 N 2.01 5.14 0.02 0.00 0.15 0.00 -1.63 113.70 119.40 1tly s SER 216 Ca 0.05 0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.86 1tly s SER 216 Cb -0.16 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1tly s SER 216 CO -0.20 0.37 -0.17 -0.44 1.20 0.00 0.00 173.24 173.99 1tly s SER 217 N -0.93 2.06 -0.13 5.45 0.01 0.48 -0.69 113.70 119.95 1tly s SER 217 Ca 0.14 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 1tly s SER 217 Cb -0.11 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 65.97 1tly s SER 217 CO 0.03 0.14 -0.04 -1.00 0.41 0.00 0.00 173.24 172.79 1tly s HIS 218 N -0.65 1.32 -0.07 2.43 3.76 0.56 -2.43 115.29 120.21 1tly s HIS 218 Ca 0.05 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.26 1tly s HIS 218 Cb -0.08 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1tly s HIS 218 CO 0.01 -0.52 -0.24 0.42 -0.85 0.00 0.00 174.74 173.55 1tly s ILE 219 N 1.76 2.04 -0.29 0.60 1.01 0.18 -0.50 121.20 126.00 1tly s ILE 219 Ca 0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 1tly s ILE 219 Cb -0.14 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.63 1tly s ILE 219 CO -0.07 0.56 -0.01 -0.22 0.00 0.00 0.00 174.94 175.20 1tly s LEU 220 N 0.05 3.74 -0.04 2.97 2.96 -0.52 -0.43 118.68 127.41 1tly s LEU 220 Ca -0.10 -1.16 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1tly s LEU 220 Cb -0.15 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1tly s LEU 220 CO 0.06 -0.23 -0.20 0.00 -1.32 0.00 0.00 176.35 174.66 1tly s ALA 221 N 1.28 2.42 -0.28 5.97 0.00 -0.30 -1.17 121.76 129.68 1tly s ALA 221 Ca -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1tly s ALA 221 Cb -0.19 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1tly s ALA 221 CO -0.02 0.53 -0.02 -1.17 0.00 0.00 0.00 175.76 175.09 1tly s LEU 222 N -0.63 3.56 -0.21 0.00 0.20 0.57 -0.64 118.68 121.54 1tly s LEU 222 Ca 0.10 -1.02 -0.04 0.00 0.69 0.00 0.00 54.13 53.86 1tly s LEU 222 Cb -0.11 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1tly s LEU 222 CO 0.00 -0.19 -0.03 0.20 -0.29 0.00 0.00 176.35 176.04 1tly s ASN 223 N 1.32 4.47 0.43 3.68 0.01 -0.70 -1.56 114.94 122.59 1tly s ASN 223 Ca -0.02 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.87 1tly s ASN 223 Cb -0.18 -1.76 0.05 0.00 0.41 0.00 0.00 41.25 39.77 1tly s ASN 223 CO -0.02 0.02 0.44 -1.22 -1.51 0.00 0.00 177.10 174.81 1tly n TYR 224 N 4.52 -1.50 -0.32 2.20 4.02 0.02 -0.86 117.16 125.23 1tly n TYR 224 Ca -0.18 -1.71 0.20 0.00 -0.01 0.00 0.00 57.90 56.20 1tly n TYR 224 Cb 0.51 -0.38 0.45 0.00 -0.02 0.00 0.00 39.34 39.91 1tly n TYR 224 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1tly h ASP 225 N 0.32 0.54 0.00 7.72 -0.00 -1.99 -3.37 116.42 119.65 1tly h ASP 225 Ca -0.24 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1tly h ASP 225 Cb 0.96 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.29 1tly h ASP 225 CO 0.37 0.13 -0.21 1.41 -0.00 0.00 0.00 179.24 180.94 1tly n HIS 226 N -4.68 0.00 -3.16 0.28 8.25 -1.26 -4.88 115.22 109.76 1tly n HIS 226 Ca 0.25 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.36 1tly n HIS 226 Cb 0.78 0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.91 1tly n HIS 226 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1tly s TRP 227 N -1.37 3.54 0.00 4.41 0.52 -1.26 0.52 118.94 125.30 1tly s TRP 227 Ca 0.00 1.26 -0.12 0.00 0.02 0.00 0.00 56.10 57.27 1tly s TRP 227 Cb 0.00 -2.54 0.01 0.00 -1.15 0.00 0.00 33.47 29.79 1tly s TRP 227 CO 0.00 0.26 0.24 -3.38 0.02 0.00 0.00 176.95 174.09 1tly s HIS 228 N -1.69 -0.08 -0.02 -1.98 -3.43 -1.10 -0.80 115.29 106.19 1tly s HIS 228 Ca 0.46 0.06 0.05 0.00 -0.80 0.00 0.00 55.06 54.83 1tly s HIS 228 Cb -0.14 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.04 1tly s HIS 228 CO 0.20 -0.37 -0.16 0.71 -2.00 0.00 0.00 174.74 173.11 1tly s TYR 229 N -1.56 1.52 -0.02 0.38 1.51 -0.60 -2.25 117.35 116.32 1tly s TYR 229 Ca -0.12 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1tly s TYR 229 Cb -0.05 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1tly s TYR 229 CO 0.02 -0.06 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.26 1tly s SER 230 N -0.25 0.50 -0.14 2.29 0.01 0.48 -0.31 113.70 116.27 1tly s SER 230 Ca 0.03 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 1tly s SER 230 Cb -0.08 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1tly s SER 230 CO 0.00 -0.05 -0.01 -0.69 0.41 0.00 0.00 173.24 172.90 1tly s VAL 231 N 0.69 4.15 -0.09 3.43 1.01 -0.32 -0.84 120.40 128.43 1tly s VAL 231 Ca -0.07 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1tly s VAL 231 Cb -0.10 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1tly s VAL 231 CO -0.01 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1tly s VAL 232 N -0.00 1.43 -0.21 2.92 1.01 -0.15 -1.43 120.40 123.97 1tly s VAL 232 Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1tly s VAL 232 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1tly s VAL 232 CO 0.02 0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.53 1tly s ALA 233 N 0.72 2.96 -0.03 5.51 0.00 0.34 -1.32 121.76 129.96 1tly s ALA 233 Ca -0.13 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1tly s ALA 233 Cb -0.16 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1tly s ALA 233 CO 0.03 -0.22 -0.14 0.50 0.00 0.00 0.00 175.76 175.93 1tly s ARG 234 N 1.13 1.35 -0.03 0.00 3.52 -0.35 -0.32 118.95 124.24 1tly s ARG 234 Ca 0.02 -0.50 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 1tly s ARG 234 Cb -0.14 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 31.99 1tly s ARG 234 CO 0.01 0.24 -0.23 -0.47 -0.81 0.00 0.00 175.30 174.04 1tly s TYR 235 N -0.06 2.45 0.08 5.12 5.04 0.13 -0.75 117.35 129.37 1tly s TYR 235 Ca -0.00 -0.41 0.09 0.00 -2.44 0.00 0.00 57.07 54.31 1tly s TYR 235 Cb -0.09 -1.55 -0.03 0.00 0.35 0.00 0.00 41.96 40.64 1tly s TYR 235 CO 0.01 -0.01 -0.23 -1.58 -1.34 0.00 0.00 175.55 172.40 1tly s TRP 236 N -0.56 2.02 -0.27 4.97 0.51 -0.04 -0.82 118.94 124.74 1tly s TRP 236 Ca 0.08 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.67 1tly s TRP 236 Cb -0.11 -1.15 0.08 0.00 -0.81 0.00 0.00 33.47 31.48 1tly s TRP 236 CO 0.00 0.19 0.02 -1.58 -0.51 0.00 0.00 176.95 175.07 1tly s HIS 237 N -0.96 2.21 -1.10 -1.98 5.65 0.29 -1.31 115.29 118.09 1tly s HIS 237 Ca 0.09 -1.82 -0.03 0.00 0.25 0.00 0.00 55.06 53.56 1tly s HIS 237 Cb -0.10 -1.76 0.00 0.00 -1.18 0.00 0.00 32.58 29.55 1tly s HIS 237 CO 0.03 -0.81 0.93 -0.25 -0.65 0.00 0.00 174.74 173.99 1tly n ASP 238 N 4.71 -3.33 -4.44 9.88 8.00 -1.12 -1.55 116.55 128.70 1tly n ASP 238 Ca -0.06 -0.52 -0.47 0.00 0.71 0.00 0.00 54.79 54.45 1tly n ASP 238 Cb 0.43 -4.52 -0.03 0.00 -0.02 0.00 0.00 41.12 36.99 1tly n ASP 238 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tly n GLY 239 N -1.35 -1.41 2.35 0.44 0.00 0.25 0.12 105.19 105.59 1tly n GLY 239 Ca -0.16 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1tly n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tly n GLY 240 N 1.82 1.64 2.68 -0.02 0.00 -1.21 -1.04 105.19 109.07 1tly n GLY 240 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1tly n GLY 240 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tly n GLN 241 N -2.18 -3.35 -3.62 1.61 6.02 0.12 -4.94 117.38 111.05 1tly n GLN 241 Ca -0.18 0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 1tly n GLN 241 Cb 0.58 -5.42 -0.11 0.00 1.02 0.00 0.00 30.24 26.31 1tly n GLN 241 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1tly s TRP 242 N -3.04 3.24 -0.17 1.08 0.52 -0.20 -0.93 118.94 119.44 1tly s TRP 242 Ca 0.18 0.13 -0.29 0.00 0.02 0.00 0.00 56.10 56.14 1tly s TRP 242 Cb -0.08 -2.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.85 1tly s TRP 242 CO 0.22 -0.11 2.01 1.21 0.02 0.00 0.00 176.95 180.30 1tly s ASN 243 N 1.57 5.90 0.09 2.95 2.47 -0.20 -4.27 114.94 123.44 1tly s ASN 243 Ca 0.07 1.97 -0.36 0.00 0.42 0.00 0.00 52.86 54.96 1tly s ASN 243 Cb -0.15 -2.52 -0.15 0.00 -1.45 0.00 0.00 41.25 36.97 1tly s ASN 243 CO 0.09 -1.60 1.48 -0.67 -3.72 0.00 0.00 177.10 172.68 1tly n ASP 244 N 10.00 2.36 0.00 -4.21 2.03 -1.26 -1.64 116.55 123.83 1tly n ASP 244 Ca 0.25 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.65 1tly n ASP 244 Cb 0.44 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1tly n ASP 244 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1tly n ASP 245 N 3.21 -0.62 -4.74 1.67 4.64 0.30 -4.96 116.55 116.06 1tly n ASP 245 Ca 0.18 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.17 1tly n ASP 245 Cb 0.23 -0.10 -0.02 0.00 -1.04 0.00 0.00 41.12 40.19 1tly n ASP 245 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1tly n ALA 246 N 0.66 2.52 -2.60 -1.67 0.00 -0.65 -4.37 120.51 114.39 1tly n ALA 246 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 1tly n ALA 246 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 16.90 1tly n ALA 246 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1tly s GLU 247 N -0.17 3.99 0.50 0.00 2.12 -1.26 -0.76 118.70 123.12 1tly s GLU 247 Ca 0.67 0.09 0.02 0.00 0.36 0.00 0.00 54.97 56.10 1tly s GLU 247 Cb -0.51 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.20 1tly s GLU 247 CO 0.45 -0.33 0.02 -0.51 -0.54 0.00 0.00 175.26 174.35 1tly s LEU 248 N 2.16 2.25 -0.29 2.70 1.02 -0.40 -0.35 118.68 125.76 1tly s LEU 248 Ca 0.17 -1.66 0.04 0.00 0.02 0.00 0.00 54.13 52.70 1tly s LEU 248 Cb -0.16 -0.64 0.19 0.00 0.02 0.00 0.00 46.19 45.60 1tly s LEU 248 CO 0.10 -0.87 0.53 0.21 0.02 0.00 0.00 176.35 176.34 1tly s ASN 249 N -3.84 -0.98 -0.12 2.29 3.84 -1.26 -1.46 114.94 113.41 1tly s ASN 249 Ca 0.08 0.04 0.05 0.00 0.21 0.00 0.00 52.86 53.24 1tly s ASN 249 Cb 0.02 1.74 0.34 0.00 -0.55 0.00 0.00 41.25 42.80 1tly s ASN 249 CO 0.05 -0.32 1.12 0.49 -2.79 0.00 0.00 177.10 175.65 1tly n PHE 250 N 5.40 1.01 -0.65 0.43 3.72 -1.26 -4.80 117.46 121.30 1tly n PHE 250 Ca 0.03 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 1tly n PHE 250 Cb 0.52 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1tly n PHE 250 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tly n GLY 251 N 0.17 1.17 0.00 1.37 0.00 -1.26 -4.93 105.19 101.71 1tly n GLY 251 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1tly n GLY 251 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tly n ASN 252 N 0.78 0.00 0.00 1.61 3.02 -1.26 -5.14 115.26 114.27 1tly n ASN 252 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1tly n ASN 252 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1tly n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tly n GLY 253 N 0.00 2.91 3.77 7.41 0.00 -1.26 -5.03 105.19 112.98 1tly n GLY 253 Ca 0.00 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1tly n GLY 253 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tly s ASN 254 N 0.00 6.60 0.09 1.61 0.01 -1.26 -4.33 114.94 117.66 1tly s ASN 254 Ca 0.00 2.52 -0.08 0.00 -0.71 0.00 0.00 52.86 54.59 1tly s ASN 254 Cb 0.00 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 1tly s ASN 254 CO 0.00 -0.64 0.18 0.72 -1.51 0.00 0.00 177.10 175.86 1tly s PHE 255 N -1.27 0.19 -0.07 2.20 -0.12 -0.54 -5.00 117.98 113.37 1tly s PHE 255 Ca 0.54 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 56.81 1tly s PHE 255 Cb -0.35 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 41.93 1tly s PHE 255 CO 0.46 -0.55 -0.12 -0.80 -0.05 0.00 0.00 175.22 174.16 1tly s ASN 256 N -2.87 4.18 0.14 1.98 0.01 -1.26 -1.28 114.94 115.83 1tly s ASN 256 Ca 0.06 -0.18 -0.30 0.00 -0.71 0.00 0.00 52.86 51.72 1tly s ASN 256 Cb 0.05 -1.10 -0.07 0.00 0.41 0.00 0.00 41.25 40.54 1tly s ASN 256 CO -0.10 0.31 1.20 -0.69 -1.51 0.00 0.00 177.10 176.30 1tly s VAL 257 N -0.49 3.74 -0.68 1.60 1.01 0.06 -4.87 120.40 120.78 1tly s VAL 257 Ca 0.07 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1tly s VAL 257 Cb -0.12 -3.88 0.32 0.00 0.00 0.00 0.00 36.38 32.69 1tly s VAL 257 CO 0.02 0.18 1.05 0.54 0.00 0.00 0.00 175.10 176.89 1tly n ARG 258 N 3.01 3.44 0.03 2.72 5.12 -1.26 0.11 116.66 129.83 1tly n ARG 258 Ca 0.06 -4.79 0.12 0.00 -1.93 0.00 0.00 57.85 51.31 1tly n ARG 258 Cb 0.45 -2.29 0.49 0.00 -1.16 0.00 0.00 32.46 29.96 1tly n ARG 258 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1tly n SER 259 N 0.09 0.19 -4.43 0.55 3.41 -1.26 -4.69 113.62 107.47 1tly n SER 259 Ca 0.33 0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 59.13 1tly n SER 259 Cb 0.37 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 1tly n SER 259 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1tly s THR 260 N -3.04 3.57 -5.00 6.66 2.01 -1.26 -0.58 115.64 117.99 1tly s THR 260 Ca 0.11 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1tly s THR 260 Cb 0.15 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1tly s THR 260 CO 0.46 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.49 1tly n GLY 261 N 3.73 -0.51 3.95 4.40 0.00 -0.43 -4.95 105.19 111.38 1tly n GLY 261 Ca -0.18 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 1tly n GLY 261 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tly s TRP 262 N -2.15 3.48 0.27 1.61 0.52 -1.26 -0.86 118.94 120.54 1tly s TRP 262 Ca 0.00 0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.11 1tly s TRP 262 Cb 0.00 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1tly s TRP 262 CO 0.00 0.42 0.59 0.20 0.02 0.00 0.00 176.95 178.18 1tly s GLY 263 N -3.54 0.31 0.27 0.98 0.00 0.07 -4.83 107.32 100.58 1tly s GLY 263 Ca 0.36 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 1tly s GLY 263 CO 0.30 -0.41 0.35 -0.32 0.00 0.00 0.00 173.10 173.02 1tly s GLY 264 N -2.99 1.31 -0.03 0.20 0.00 0.09 -1.21 107.32 104.69 1tly s GLY 264 Ca 0.18 -1.46 -0.10 0.00 0.00 0.00 0.00 44.72 43.34 1tly s GLY 264 CO 0.09 -1.07 0.23 -0.19 0.00 0.00 0.00 173.10 172.15 1tly s TYR 265 N -3.70 -0.12 -0.11 1.90 1.51 -0.43 -0.82 117.35 115.57 1tly s TYR 265 Ca 0.32 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.65 1tly s TYR 265 Cb 0.02 0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.91 1tly s TYR 265 CO 0.15 -0.28 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.58 1tly s LEU 266 N -0.92 2.11 -0.14 -1.29 1.43 -0.02 -0.98 118.68 118.86 1tly s LEU 266 Ca -0.10 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1tly s LEU 266 Cb -0.05 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1tly s LEU 266 CO 0.02 0.14 -0.04 -0.69 0.23 0.00 0.00 176.35 176.00 1tly s VAL 267 N 0.48 0.95 -0.15 -1.59 1.01 -0.02 -1.53 120.40 119.54 1tly s VAL 267 Ca -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1tly s VAL 267 Cb -0.17 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1tly s VAL 267 CO 0.06 0.17 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 1tly s VAL 268 N 1.71 2.37 0.14 2.92 1.01 -1.05 -0.39 120.40 127.11 1tly s VAL 268 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1tly s VAL 268 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1tly s VAL 268 CO -0.08 0.53 0.16 0.61 0.00 0.00 0.00 175.10 176.32 1tly n GLY 269 N 4.17 3.18 2.74 4.51 0.00 -0.95 -0.80 105.19 118.03 1tly n GLY 269 Ca -0.20 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 1tly n GLY 269 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tly s TYR 270 N -3.29 0.01 -0.52 1.61 5.04 -0.48 -2.70 117.35 117.00 1tly s TYR 270 Ca 0.14 0.28 -0.23 0.00 -2.44 0.00 0.00 57.07 54.83 1tly s TYR 270 Cb 0.00 -0.36 0.04 0.00 0.35 0.00 0.00 41.96 42.00 1tly s TYR 270 CO 0.10 -0.17 0.83 -0.80 -1.34 0.00 0.00 175.55 174.17 1tly s ASN 271 N 1.82 6.31 0.00 4.32 0.01 0.18 -2.43 114.94 125.15 1tly s ASN 271 Ca -0.00 -0.48 0.12 0.00 -0.71 0.00 0.00 52.86 51.79 1tly s ASN 271 Cb -0.12 -2.39 0.72 0.00 0.41 0.00 0.00 41.25 39.87 1tly s ASN 271 CO -0.04 -1.09 1.15 0.49 -1.51 0.00 0.00 177.10 176.11