#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tly h SER 10 N 0.00 0.09 -0.48 1.96 0.02 -1.95 0.68 113.55 113.87 1tly h SER 10 Ca 0.00 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1tly h SER 10 Cb 0.00 -0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1tly h SER 10 CO 0.00 0.02 -0.32 0.44 -1.14 0.00 0.00 176.83 175.84 1tly h ASP 11 N 0.08 -1.07 0.00 3.07 3.45 -2.01 -3.35 116.42 116.59 1tly h ASP 11 Ca 0.50 0.20 0.00 0.00 0.43 0.00 0.00 57.03 58.16 1tly h ASP 11 Cb 1.83 0.52 0.00 0.00 -0.56 0.00 0.00 39.33 41.12 1tly h ASP 11 CO -0.06 -0.31 -0.99 -2.67 -1.57 0.00 0.00 179.24 173.65 1tly n TRP 12 N -5.42 0.00 -3.50 4.55 4.27 -0.84 -5.02 117.44 111.49 1tly n TRP 12 Ca 0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.24 1tly n TRP 12 Cb 0.34 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.19 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 -1.99 3.22 -0.10 -2.67 -0.11 0.23 -2.84 118.94 114.70 1tly s TRP 13 Ca 0.00 0.08 0.02 0.00 1.22 0.00 0.00 56.10 57.41 1tly s TRP 13 Cb 0.00 -2.50 -0.02 0.00 -1.50 0.00 0.00 33.47 29.45 1tly s TRP 13 CO 0.00 -0.28 -0.14 -1.01 -4.62 0.00 0.00 176.95 170.90 1tly s HIS 14 N 1.87 2.75 0.26 5.86 3.76 -0.10 -3.67 115.29 126.02 1tly s HIS 14 Ca 0.09 -0.49 0.11 0.00 -0.15 0.00 0.00 55.06 54.63 1tly s HIS 14 Cb -0.16 -1.75 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 1tly s HIS 14 CO 0.11 -0.07 -0.19 -0.65 -0.85 0.00 0.00 174.74 173.09 1tly s GLN 15 N -0.06 1.60 -0.23 1.40 -0.21 -1.26 -1.30 119.66 119.59 1tly s GLN 15 Ca -0.03 -1.73 -0.26 0.00 0.02 0.00 0.00 55.36 53.36 1tly s GLN 15 Cb -0.14 -1.63 0.07 0.00 1.00 0.00 0.00 33.01 32.32 1tly s GLN 15 CO 0.04 0.30 0.73 0.45 -2.12 0.00 0.00 175.29 174.69 1tly s SER 16 N -3.46 -0.71 -0.08 5.90 0.15 -0.76 -1.67 113.70 113.07 1tly s SER 16 Ca 0.28 1.27 0.03 0.00 0.70 0.00 0.00 55.95 58.24 1tly s SER 16 Cb -0.04 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1tly s SER 16 CO 0.13 -0.31 -0.18 -0.69 1.20 0.00 0.00 173.24 173.39 1tly s VAL 17 N 0.07 2.68 0.13 4.45 1.01 -0.85 -0.36 120.40 127.54 1tly s VAL 17 Ca -0.02 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1tly s VAL 17 Cb -0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1tly s VAL 17 CO 0.02 0.56 -0.03 0.20 0.00 0.00 0.00 175.10 175.85 1tly s ASN 18 N -0.14 1.13 -0.10 3.32 0.01 0.15 -0.46 114.94 118.85 1tly s ASN 18 Ca -0.02 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.05 1tly s ASN 18 Cb -0.14 0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.62 1tly s ASN 18 CO 0.04 -0.52 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.29 1tly s VAL 19 N -3.66 3.12 -0.03 1.60 1.01 0.13 -0.72 120.40 121.85 1tly s VAL 19 Ca 0.17 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1tly s VAL 19 Cb 0.06 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1tly s VAL 19 CO -0.01 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1tly s VAL 20 N -0.05 1.16 -0.17 2.92 1.01 0.64 -1.99 120.40 123.92 1tly s VAL 20 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1tly s VAL 20 Cb -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1tly s VAL 20 CO 0.04 0.34 -0.17 -0.83 0.00 0.00 0.00 175.10 174.48 1tly s GLY 21 N 0.03 1.44 0.12 4.51 0.00 -0.45 -0.56 107.32 112.41 1tly s GLY 21 Ca -0.02 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.65 1tly s GLY 21 CO 0.01 0.13 -0.06 -1.35 0.00 0.00 0.00 173.10 171.83 1tly s SER 22 N 1.02 4.59 -0.09 1.64 1.04 0.33 -0.60 113.70 121.63 1tly s SER 22 Ca -0.02 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 1tly s SER 22 Cb -0.15 -0.94 0.04 0.00 0.10 0.00 0.00 66.02 65.08 1tly s SER 22 CO -0.04 0.16 0.06 -0.47 0.98 0.00 0.00 173.24 173.93 1tly s TYR 23 N -1.34 0.18 -0.66 5.02 5.04 0.67 -2.44 117.35 123.82 1tly s TYR 23 Ca 0.24 0.00 -0.03 0.00 -2.44 0.00 0.00 57.07 54.83 1tly s TYR 23 Cb -0.11 -0.59 0.00 0.00 0.35 0.00 0.00 41.96 41.61 1tly s TYR 23 CO 0.16 -0.32 0.57 0.72 -1.34 0.00 0.00 175.55 175.34 1tly n HIS 24 N 5.27 -1.36 -1.90 4.97 8.25 -0.28 -0.53 115.22 129.64 1tly n HIS 24 Ca -0.05 0.50 -0.37 0.00 -0.26 0.00 0.00 57.72 57.55 1tly n HIS 24 Cb 0.50 -3.19 0.04 0.00 1.12 0.00 0.00 29.99 28.46 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 -3.17 2.35 -0.08 1.59 2.01 0.62 -4.05 115.64 114.93 1tly s THR 25 Ca 0.21 0.23 0.17 0.00 0.31 0.00 0.00 61.69 62.61 1tly s THR 25 Cb -0.09 -3.10 0.35 0.00 0.01 0.00 0.00 72.50 69.66 1tly s THR 25 CO 0.37 -0.04 1.16 0.54 -0.69 0.00 0.00 174.62 175.96 1tly n ARG 26 N -1.54 0.62 0.11 4.92 1.74 -1.26 -2.91 116.66 118.33 1tly n ARG 26 Ca 0.14 -2.31 0.13 0.00 -0.77 0.00 0.00 57.85 55.04 1tly n ARG 26 Cb 0.48 -0.72 0.41 0.00 -1.02 0.00 0.00 32.46 31.61 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 0.74 0.00 -5.11 -1.55 -1.00 -1.91 -3.31 116.94 104.80 1tly h PHE 27 Ca -0.10 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 60.02 1tly h PHE 27 Cb 1.46 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.90 1tly h PHE 27 CO 0.33 0.00 -0.46 0.41 -1.61 0.00 0.00 178.31 176.97 1tly n GLY 28 N 1.13 3.51 0.32 -1.45 0.00 -1.26 -3.85 105.19 103.59 1tly n GLY 28 Ca 0.05 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.96 -6.42 1.61 0.11 -1.91 -3.43 132.00 122.91 1tly h PRO 29 Ca -0.42 -0.06 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1tly h PRO 29 Cb 1.27 -0.22 -0.18 0.00 0.11 0.00 0.00 31.00 31.99 1tly h PRO 29 CO 0.69 0.64 -0.74 -0.65 -0.21 0.00 0.00 178.00 177.73 1tly s GLN 30 N -6.07 2.33 0.69 1.05 -0.21 -1.26 -4.41 119.66 111.79 1tly s GLN 30 Ca -0.13 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 54.23 1tly s GLN 30 Cb 0.18 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.83 1tly s GLN 30 CO 0.79 0.56 1.26 0.42 -2.12 0.00 0.00 175.29 176.20 1tly s ILE 31 N -1.04 2.10 0.04 1.08 1.01 -1.26 -4.92 121.20 118.21 1tly s ILE 31 Ca 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 1tly s ILE 31 Cb -0.11 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1tly s ILE 31 CO 0.09 -0.02 0.00 -0.13 0.00 0.00 0.00 174.94 174.88 1tly s ARG 32 N -3.61 0.50 -0.04 2.79 0.52 -1.15 -4.94 118.95 113.03 1tly s ARG 32 Ca 0.79 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1tly s ARG 32 Cb -0.34 0.18 0.03 0.00 0.52 0.00 0.00 34.95 35.34 1tly s ARG 32 CO 0.42 -0.10 0.07 -0.80 0.02 0.00 0.00 175.30 174.91 1tly s ASN 33 N -2.23 1.12 0.21 0.23 0.01 -1.26 -0.27 114.94 112.74 1tly s ASN 33 Ca -0.04 0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.20 1tly s ASN 33 Cb -0.00 -0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1tly s ASN 33 CO -0.06 -0.25 0.12 -1.81 -1.51 0.00 0.00 177.10 173.60 1tly s ASP 34 N 2.18 0.32 0.01 -1.22 1.11 -1.02 -4.95 116.67 113.11 1tly s ASP 34 Ca 0.05 -1.38 0.01 0.00 0.18 0.00 0.00 52.55 51.40 1tly s ASP 34 Cb -0.12 0.34 -0.01 0.00 1.07 0.00 0.00 42.92 44.20 1tly s ASP 34 CO -0.03 -0.82 -0.04 0.42 1.18 0.00 0.00 175.17 175.88 1tly s THR 35 N -4.09 0.24 0.02 -1.27 -4.23 -1.25 0.12 115.64 105.18 1tly s THR 35 Ca 0.38 -0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 1tly s THR 35 Cb 0.07 -0.29 0.10 0.00 1.34 0.00 0.00 72.50 73.72 1tly s THR 35 CO 0.12 -0.21 1.15 -0.72 -0.54 0.00 0.00 174.62 174.42 1tly s TYR 36 N -0.77 -0.10 0.28 3.99 -0.85 0.28 -3.41 117.35 116.76 1tly s TYR 36 Ca -0.07 -0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.33 1tly s TYR 36 Cb -0.06 0.57 -0.07 0.00 0.38 0.00 0.00 41.96 42.79 1tly s TYR 36 CO -0.00 -0.46 0.60 -0.51 -1.52 0.00 0.00 175.55 173.66 1tly s LEU 37 N -2.85 4.07 -0.10 -3.49 2.01 0.39 -0.26 118.68 118.44 1tly s LEU 37 Ca 0.12 0.91 -0.08 0.00 0.01 0.00 0.00 54.13 55.09 1tly s LEU 37 Cb 0.02 -3.72 0.03 0.00 0.01 0.00 0.00 46.19 42.53 1tly s LEU 37 CO -0.02 -0.18 0.26 -0.70 1.01 0.00 0.00 176.35 176.72 1tly s GLU 38 N -3.24 0.29 -0.15 1.70 2.12 0.11 -0.94 118.70 118.59 1tly s GLU 38 Ca 0.47 0.39 -0.03 0.00 0.36 0.00 0.00 54.97 56.17 1tly s GLU 38 Cb -0.11 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 1tly s GLU 38 CO 0.25 -0.06 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.38 1tly s TYR 39 N 0.34 2.95 0.20 5.30 5.04 0.71 0.30 117.35 132.20 1tly s TYR 39 Ca -0.02 -0.44 0.11 0.00 -2.44 0.00 0.00 57.07 54.29 1tly s TYR 39 Cb -0.03 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.30 1tly s TYR 39 CO -0.01 -0.12 -0.22 -1.21 -1.34 0.00 0.00 175.55 172.65 1tly s GLU 40 N 0.41 1.60 -0.22 4.97 2.02 0.52 -0.28 118.70 127.72 1tly s GLU 40 Ca -0.06 -1.52 -0.12 0.00 0.02 0.00 0.00 54.97 53.29 1tly s GLU 40 Cb -0.15 -1.88 0.07 0.00 0.10 0.00 0.00 34.13 32.28 1tly s GLU 40 CO 0.04 0.40 0.54 0.00 0.02 0.00 0.00 175.26 176.25 1tly s ALA 41 N -1.77 -1.45 -0.09 5.21 0.00 -0.93 -1.83 121.76 120.89 1tly s ALA 41 Ca 0.22 1.94 0.02 0.00 0.00 0.00 0.00 51.96 54.14 1tly s ALA 41 Cb -0.08 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1tly s ALA 41 CO 0.11 -0.39 -0.14 0.12 0.00 0.00 0.00 175.76 175.46 1tly s PHE 42 N 1.69 1.78 0.12 0.00 5.36 -0.42 -1.74 117.98 124.76 1tly s PHE 42 Ca -0.09 -0.75 0.04 0.00 -0.96 0.00 0.00 56.93 55.17 1tly s PHE 42 Cb -0.08 -1.29 -0.04 0.00 -0.34 0.00 0.00 43.02 41.28 1tly s PHE 42 CO -0.16 -0.38 -0.10 0.00 -1.46 0.00 0.00 175.22 173.12 1tly s ALA 43 N 0.82 1.27 -0.30 11.12 0.00 0.38 -0.92 121.76 134.13 1tly s ALA 43 Ca -0.11 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.55 1tly s ALA 43 Cb -0.15 0.05 0.20 0.00 0.00 0.00 0.00 23.12 23.22 1tly s ALA 43 CO 0.01 -0.09 0.59 0.21 0.00 0.00 0.00 175.76 176.49 1tly s LYS 44 N -3.40 0.59 -0.06 0.00 2.47 -1.13 -0.50 119.74 117.70 1tly s LYS 44 Ca 0.12 0.45 0.05 0.00 -1.56 0.00 0.00 55.97 55.03 1tly s LYS 44 Cb 0.01 0.23 -0.01 0.00 -1.46 0.00 0.00 37.83 36.60 1tly s LYS 44 CO -0.00 -1.07 -0.22 0.21 0.16 0.00 0.00 175.35 174.43 1tly s LYS 45 N 2.71 2.34 0.00 4.03 2.20 0.03 -4.79 119.74 126.27 1tly s LYS 45 Ca 0.11 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1tly s LYS 45 Cb -0.09 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1tly s LYS 45 CO -0.24 0.29 0.00 -0.40 -0.36 0.00 0.00 175.35 174.64 1tly n ASP 46 N 3.13 0.00 -0.58 1.43 5.75 -1.26 0.12 116.55 125.15 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 0.06 0.00 -1.03 0.00 0.00 41.12 40.68 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 -1.26 0.01 -3.69 2.11 4.27 -1.26 -4.89 117.44 112.73 1tly n TRP 47 Ca 0.00 -0.01 -0.13 0.00 -3.89 0.00 0.00 57.50 53.47 1tly n TRP 47 Cb 0.00 -0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.86 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 -1.19 -0.62 0.21 -2.67 -0.12 0.33 -0.66 117.98 113.26 1tly s PHE 48 Ca 0.17 1.47 0.10 0.00 -0.05 0.00 0.00 56.93 58.62 1tly s PHE 48 Cb 0.12 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1tly s PHE 48 CO 0.18 -0.30 -0.15 0.16 -0.05 0.00 0.00 175.22 175.06 1tly s ASP 49 N 0.44 3.92 -0.03 1.98 3.84 -0.86 -0.79 116.67 125.16 1tly s ASP 49 Ca -0.01 -0.75 -0.18 0.00 -0.00 0.00 0.00 52.55 51.62 1tly s ASP 49 Cb -0.04 -0.52 0.03 0.00 -1.38 0.00 0.00 42.92 41.01 1tly s ASP 49 CO -0.01 0.09 0.38 0.12 -0.00 0.00 0.00 175.17 175.75 1tly s PHE 50 N -1.87 -0.29 -0.09 2.11 5.36 0.34 -1.64 117.98 121.89 1tly s PHE 50 Ca 0.25 0.50 -0.10 0.00 -0.96 0.00 0.00 56.93 56.62 1tly s PHE 50 Cb -0.08 0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1tly s PHE 50 CO 0.14 -0.41 0.27 -0.47 -1.46 0.00 0.00 175.22 173.28 1tly s TYR 51 N -1.16 -0.27 0.11 10.12 5.04 -1.14 -0.47 117.35 129.58 1tly s TYR 51 Ca -0.12 0.65 -0.26 0.00 -2.44 0.00 0.00 57.07 54.91 1tly s TYR 51 Cb -0.04 0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.44 1tly s TYR 51 CO 0.05 -0.17 0.81 0.20 -1.34 0.00 0.00 175.55 175.10 1tly s GLY 52 N -0.03 -0.41 -0.10 8.97 0.00 -0.71 0.12 107.32 115.16 1tly s GLY 52 Ca -0.02 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.97 1tly s GLY 52 CO 0.01 0.17 0.61 -2.52 0.00 0.00 0.00 173.10 171.36 1tly s TYR 53 N -3.41 -0.60 -0.05 1.90 -0.85 -0.32 -2.20 117.35 111.82 1tly s TYR 53 Ca 0.06 1.17 0.03 0.00 -0.52 0.00 0.00 57.07 57.82 1tly s TYR 53 Cb -0.02 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.63 1tly s TYR 53 CO -0.06 -0.49 -0.14 0.00 -1.52 0.00 0.00 175.55 173.34 1tly s ALA 54 N -0.73 1.34 -0.07 9.51 0.00 0.61 -1.35 121.76 131.07 1tly s ALA 54 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1tly s ALA 54 Cb -0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1tly s ALA 54 CO 0.06 0.19 -0.13 -0.51 0.00 0.00 0.00 175.76 175.37 1tly s ASP 55 N 0.34 4.08 0.03 0.00 1.01 0.15 -0.21 116.67 122.06 1tly s ASP 55 Ca -0.09 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1tly s ASP 55 Cb -0.13 -1.03 -0.02 0.00 1.01 0.00 0.00 42.92 42.75 1tly s ASP 55 CO 0.03 0.31 -0.06 0.00 0.21 0.00 0.00 175.17 175.66 1tly s ALA 56 N -0.52 0.44 0.54 5.23 0.00 -0.11 -1.41 121.76 125.93 1tly s ALA 56 Ca 0.07 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 1tly s ALA 56 Cb -0.12 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1tly s ALA 56 CO 0.02 -0.02 0.74 -2.30 0.00 0.00 0.00 175.76 174.20 1tly n PRO 57 N 1.86 0.77 0.00 0.00 -0.02 -1.26 -0.46 135.00 135.89 1tly n PRO 57 Ca -0.20 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1tly n PRO 57 Cb 0.56 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.44 0.00 -0.03 -1.45 0.31 -1.22 -4.40 118.33 110.10 1tly n VAL 58 Ca 0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.27 1tly n VAL 58 Cb 0.45 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.25 1tly n VAL 58 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1tly h PRO 75 N 0.00 0.12 0.00 5.55 0.13 -1.89 -3.47 132.00 132.44 1tly h PRO 75 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1tly h PRO 75 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1tly h PRO 75 CO 0.00 1.10 0.00 -0.11 -0.23 0.00 0.00 178.00 178.76 1tly n LEU 76 N -4.35 0.00 -3.85 1.56 7.94 -1.26 -4.84 117.00 112.21 1tly n LEU 76 Ca -0.17 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.50 1tly n LEU 76 Cb 0.67 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.45 1tly n LEU 76 CO 0.37 0.00 -0.41 0.12 -1.11 0.00 0.00 177.39 176.36 1tly s PHE 77 N 0.00 0.95 0.09 1.96 5.36 -0.50 -1.30 117.98 124.54 1tly s PHE 77 Ca 0.00 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1tly s PHE 77 Cb 0.00 -0.90 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 1tly s PHE 77 CO 0.00 -0.34 -0.11 0.00 -1.46 0.00 0.00 175.22 173.31 1tly s MET 78 N 1.59 0.81 -0.03 10.12 0.23 0.48 0.29 119.30 132.79 1tly s MET 78 Ca 0.00 -1.08 -0.01 0.00 -1.03 0.00 0.00 55.69 53.57 1tly s MET 78 Cb -0.13 -0.58 0.03 0.00 -1.53 0.00 0.00 34.83 32.62 1tly s MET 78 CO -0.04 0.10 0.05 -2.00 -2.03 0.00 0.00 175.02 171.10 1tly s GLU 79 N -2.45 -0.05 0.08 3.16 2.12 -0.45 -0.62 118.70 120.48 1tly s GLU 79 Ca 0.02 0.30 0.09 0.00 0.36 0.00 0.00 54.97 55.74 1tly s GLU 79 Cb -0.05 -0.37 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 1tly s GLU 79 CO 0.01 -0.25 -0.24 0.96 -0.54 0.00 0.00 175.26 175.20 1tly s ILE 80 N 1.65 1.96 -0.53 -3.70 -4.36 0.12 -1.17 121.20 115.16 1tly s ILE 80 Ca -0.02 -1.49 0.06 0.00 -0.26 0.00 0.00 60.65 58.94 1tly s ILE 80 Cb -0.12 -1.72 0.23 0.00 1.25 0.00 0.00 42.46 42.10 1tly s ILE 80 CO -0.03 0.14 0.59 -0.62 0.24 0.00 0.00 174.94 175.26 1tly n GLU 81 N 1.37 1.54 -3.02 0.37 1.02 0.33 -0.80 120.64 121.45 1tly n GLU 81 Ca -0.18 -3.97 -0.38 0.00 -0.02 0.00 0.00 57.16 52.61 1tly n GLU 81 Cb 0.53 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1tly n GLU 81 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1tly s PRO 82 N -1.63 4.42 -0.01 3.49 0.04 -0.95 -2.87 135.00 137.49 1tly s PRO 82 Ca 0.36 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1tly s PRO 82 Cb 0.12 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1tly s PRO 82 CO -0.09 0.47 -0.04 1.03 0.04 0.00 0.00 177.00 178.41 1tly s ARG 83 N -1.58 0.45 -0.11 4.56 0.52 -0.65 -1.14 118.95 121.00 1tly s ARG 83 Ca 0.40 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1tly s ARG 83 Cb -0.20 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 34.79 1tly s ARG 83 CO 0.23 0.06 -0.11 -0.06 0.02 0.00 0.00 175.30 175.44 1tly s PHE 84 N 0.15 2.83 -0.27 -0.53 0.40 -0.39 -2.03 117.98 118.13 1tly s PHE 84 Ca -0.01 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 1tly s PHE 84 Cb -0.05 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1tly s PHE 84 CO -0.00 -0.02 1.34 0.45 0.70 0.00 0.00 175.22 177.68 1tly s SER 85 N -0.06 6.68 0.17 1.36 0.15 0.16 0.01 113.70 122.17 1tly s SER 85 Ca -0.02 1.35 -0.10 0.00 0.70 0.00 0.00 55.95 57.88 1tly s SER 85 Cb -0.14 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1tly s SER 85 CO 0.04 -1.05 1.56 0.40 1.20 0.00 0.00 173.24 175.39 1tly h ILE 86 N 5.90 1.27 0.24 6.45 2.04 -1.40 -1.56 117.51 130.46 1tly h ILE 86 Ca -0.27 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1tly h ILE 86 Cb 1.11 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1tly h ILE 86 CO 1.02 0.47 -0.19 0.44 0.00 0.00 0.00 178.15 179.89 1tly h ASP 87 N 0.87 -0.50 -0.76 1.72 5.19 -1.80 0.85 116.42 122.00 1tly h ASP 87 Ca 0.12 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 56.73 1tly h ASP 87 Cb 0.77 0.15 -0.11 0.00 0.18 0.00 0.00 39.33 40.32 1tly h ASP 87 CO 0.06 -0.27 0.18 0.11 -3.12 0.00 0.00 179.24 176.21 1tly h LYS 88 N -0.41 0.25 -0.02 3.56 6.56 -1.87 1.50 116.57 126.13 1tly h LYS 88 Ca -0.03 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 1tly h LYS 88 Cb 0.34 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1tly h LYS 88 CO 0.01 0.17 -0.06 -0.07 -2.06 0.00 0.00 179.45 177.44 1tly h LEU 89 N 0.26 0.09 -0.76 2.94 3.38 -1.13 -3.01 115.31 117.08 1tly h LEU 89 Ca 0.43 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1tly h LEU 89 Cb 0.76 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1tly h LEU 89 CO -0.53 0.68 0.00 0.74 0.09 0.00 0.00 178.44 179.42 1tly h THR 90 N -0.49 0.00 -6.19 0.22 2.02 0.11 -3.46 112.91 105.12 1tly h THR 90 Ca -0.00 -0.30 -0.44 0.00 0.77 0.00 0.00 66.41 66.44 1tly h THR 90 Cb 0.67 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1tly h THR 90 CO 0.01 0.00 -0.81 -3.20 0.37 0.00 0.00 175.52 171.89 1tly n ASN 91 N -2.38 -2.14 -3.64 4.18 2.85 0.51 -4.97 115.26 109.66 1tly n ASN 91 Ca 0.02 -0.83 -0.19 0.00 -0.11 0.00 0.00 54.58 53.47 1tly n ASN 91 Cb 0.26 -3.91 -0.16 0.00 1.24 0.00 0.00 39.78 37.21 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 -3.59 -0.20 -0.68 -0.44 2.01 -1.07 -5.03 115.64 106.63 1tly s THR 92 Ca 0.20 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 1tly s THR 92 Cb -0.10 -0.34 -0.12 0.00 0.01 0.00 0.00 72.50 71.95 1tly s THR 92 CO 0.83 0.05 2.42 -0.67 -0.69 0.00 0.00 174.62 176.56 1tly n ASP 93 N 5.31 1.99 -0.60 3.53 -0.08 -1.26 -4.55 116.55 120.89 1tly n ASP 93 Ca -0.05 -1.15 0.05 0.00 -1.51 0.00 0.00 54.79 52.13 1tly n ASP 93 Cb 0.50 -1.64 0.14 0.00 2.34 0.00 0.00 41.12 42.46 1tly n ASP 93 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1tly n LEU 94 N 17.83 1.73 -4.71 -2.67 4.77 -1.26 -4.92 117.00 127.76 1tly n LEU 94 Ca 0.43 -0.86 -0.43 0.00 -0.03 0.00 0.00 56.01 55.12 1tly n LEU 94 Cb 0.47 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1tly n LEU 94 CO 0.60 0.42 1.01 -0.24 -1.33 0.00 0.00 177.39 177.85 1tly n SER 95 N 0.41 3.09 -3.63 -1.43 2.88 -1.26 -4.91 113.62 108.78 1tly n SER 95 Ca 0.11 1.19 -0.02 0.00 -1.33 0.00 0.00 58.87 58.81 1tly n SER 95 Cb 0.28 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.18 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 -0.72 -1.22 0.00 0.66 5.36 -0.53 -5.05 117.98 116.48 1tly s PHE 96 Ca 0.59 2.17 0.00 0.00 -0.96 0.00 0.00 56.93 58.73 1tly s PHE 96 Cb -0.56 0.73 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1tly s PHE 96 CO 0.58 -0.61 0.00 0.41 -1.46 0.00 0.00 175.22 174.14 1tly n GLY 97 N 5.16 2.66 0.14 13.12 0.00 -1.26 -1.63 105.19 123.39 1tly n GLY 97 Ca -0.13 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.05 1.61 0.11 -1.95 -3.42 132.00 122.30 1tly h PRO 98 Ca 0.00 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.62 1tly h PRO 98 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 1tly h PRO 98 CO 0.00 0.00 1.17 -0.06 -0.21 0.00 0.00 178.00 178.90 1tly s PHE 99 N -3.31 2.05 0.08 0.65 0.40 -0.64 0.39 117.98 117.60 1tly s PHE 99 Ca 0.05 0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 1tly s PHE 99 Cb 0.10 -4.36 -0.09 0.00 0.51 0.00 0.00 43.02 39.18 1tly s PHE 99 CO 0.46 -2.04 1.48 0.87 0.70 0.00 0.00 175.22 176.69 1tly h LYS 100 N 11.70 0.44 -4.01 0.44 1.57 -1.38 -1.42 116.57 123.92 1tly h LYS 100 Ca -0.09 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1tly h LYS 100 Cb 1.06 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.21 1tly h LYS 100 CO 1.28 0.66 -0.41 -2.00 -0.57 0.00 0.00 179.45 178.41 1tly s GLU 101 N -4.83 1.06 0.03 3.15 2.12 -1.25 -4.40 118.70 114.59 1tly s GLU 101 Ca -0.14 -1.21 0.06 0.00 0.36 0.00 0.00 54.97 54.04 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 0.75 -0.36 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.35 1tly s TRP 102 N -3.97 1.56 0.06 5.30 0.52 -1.26 -2.86 118.94 118.28 1tly s TRP 102 Ca 0.17 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.96 1tly s TRP 102 Cb 0.04 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 1tly s TRP 102 CO -0.01 0.06 -0.07 0.71 0.02 0.00 0.00 176.95 177.66 1tly s TYR 103 N -0.76 0.74 -0.50 -1.98 1.51 -0.23 -0.98 117.35 115.14 1tly s TYR 103 Ca 0.05 -0.67 -0.22 0.00 -1.01 0.00 0.00 57.07 55.22 1tly s TYR 103 Cb -0.08 -0.44 0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1tly s TYR 103 CO 0.01 -0.12 0.77 0.12 -1.11 0.00 0.00 175.55 175.23 1tly s PHE 104 N -2.29 2.95 -0.03 2.71 5.99 0.10 -0.44 117.98 126.98 1tly s PHE 104 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 56.93 56.67 1tly s PHE 104 Cb -0.04 -3.73 -0.05 0.00 0.00 0.00 0.00 43.02 39.21 1tly s PHE 104 CO -0.02 -1.12 0.26 0.00 -0.00 0.00 0.00 175.22 174.34 1tly s ALA 105 N 3.25 3.83 -0.03 11.12 0.00 0.88 -1.27 121.76 139.54 1tly s ALA 105 Ca 0.24 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1tly s ALA 105 Cb -0.15 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1tly s ALA 105 CO 0.17 0.62 0.01 -0.80 0.00 0.00 0.00 175.76 175.76 1tly s ASN 106 N -1.43 0.61 -0.32 0.00 -0.87 -0.29 -0.99 114.94 111.65 1tly s ASN 106 Ca 0.24 -0.02 0.03 0.00 -1.57 0.00 0.00 52.86 51.53 1tly s ASN 106 Cb -0.13 -0.23 0.10 0.00 -0.02 0.00 0.00 41.25 40.97 1tly s ASN 106 CO 0.12 -0.13 0.05 0.21 -2.57 0.00 0.00 177.10 174.79 1tly s ASN 107 N 1.25 4.52 -0.20 -1.22 2.47 0.35 -2.24 114.94 119.87 1tly s ASN 107 Ca -0.07 -1.94 -0.05 0.00 0.42 0.00 0.00 52.86 51.22 1tly s ASN 107 Cb -0.13 -1.41 -0.03 0.00 -1.45 0.00 0.00 41.25 38.24 1tly s ASN 107 CO -0.02 -0.37 0.00 -0.47 -3.72 0.00 0.00 177.10 172.52 1tly s TYR 108 N 1.12 3.06 -0.15 0.43 5.04 0.02 -1.11 117.35 125.76 1tly s TYR 108 Ca 0.09 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1tly s TYR 108 Cb -0.19 -2.08 -0.00 0.00 0.35 0.00 0.00 41.96 40.04 1tly s TYR 108 CO -0.12 -0.19 -0.15 0.42 -1.34 0.00 0.00 175.55 174.17 1tly s ILE 109 N 0.90 2.73 -0.05 3.14 1.09 0.31 -0.70 121.20 128.61 1tly s ILE 109 Ca 0.01 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1tly s ILE 109 Cb -0.14 -2.15 -0.00 0.00 -1.06 0.00 0.00 42.46 39.11 1tly s ILE 109 CO 0.02 0.52 -0.17 -0.47 -0.10 0.00 0.00 174.94 174.74 1tly s TYR 110 N 0.70 1.70 -0.19 3.97 6.14 0.20 -0.41 117.35 129.46 1tly s TYR 110 Ca -0.07 -0.53 -0.04 0.00 0.64 0.00 0.00 57.07 57.08 1tly s TYR 110 Cb -0.16 -1.16 0.06 0.00 0.42 0.00 0.00 41.96 41.12 1tly s TYR 110 CO 0.02 -0.20 0.06 0.34 0.64 0.00 0.00 175.55 176.41 1tly s ASP 111 N 0.16 2.76 0.36 4.32 3.68 -0.02 -0.39 116.67 127.54 1tly s ASP 111 Ca -0.07 -0.78 0.07 0.00 2.13 0.00 0.00 52.55 53.90 1tly s ASP 111 Cb -0.13 -0.47 0.70 0.00 -1.45 0.00 0.00 42.92 41.57 1tly s ASP 111 CO 0.03 -0.33 1.89 -0.03 0.13 0.00 0.00 175.17 176.86 1tly h MET 112 N 8.31 0.36 -3.16 4.34 1.85 -1.47 -0.67 114.93 124.48 1tly h MET 112 Ca -0.16 -0.08 0.35 0.00 -0.61 0.00 0.00 59.70 59.20 1tly h MET 112 Cb 1.12 -0.05 -0.13 0.00 0.43 0.00 0.00 31.60 32.97 1tly h MET 112 CO 0.33 0.46 -0.82 0.41 -0.40 0.00 0.00 176.91 176.89 1tly n GLY 113 N -0.86 -2.54 0.16 1.39 0.00 -1.25 -4.50 105.19 97.59 1tly n GLY 113 Ca 0.00 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1tly n GLY 113 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tly h ARG 114 N -1.30 0.00 0.00 1.61 3.08 -1.96 -3.46 114.38 112.35 1tly h ARG 114 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1tly h ARG 114 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1tly h ARG 114 CO 0.04 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.03 1tly n ASN 115 N -2.76 1.86 -0.00 7.04 5.03 -1.26 -5.00 115.26 120.16 1tly n ASN 115 Ca 0.03 -0.35 0.07 0.00 0.87 0.00 0.00 54.58 55.20 1tly n ASN 115 Cb 0.51 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.19 1tly n ASN 115 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1tly n LYS 116 N -0.03 2.03 -0.07 3.52 4.81 -1.26 -4.38 118.16 122.78 1tly n LYS 116 Ca 0.00 -0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1tly n LYS 116 Cb 0.00 -1.21 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 1tly n LYS 116 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1tly h ASP 117 N 0.00 0.10 -0.10 3.14 3.58 -1.94 -3.38 116.42 117.81 1tly h ASP 117 Ca 0.00 -0.65 -0.11 0.00 0.42 0.00 0.00 57.03 56.69 1tly h ASP 117 Cb 0.36 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1tly h ASP 117 CO 0.00 1.51 -0.04 0.61 -2.88 0.00 0.00 179.24 178.44 1tly n GLY 118 N 1.55 2.89 3.63 -0.78 0.00 -1.26 -3.24 105.19 107.98 1tly n GLY 118 Ca -0.29 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1tly n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tly s ARG 119 N -0.00 1.99 -0.03 1.61 1.70 -1.26 -3.85 118.95 119.10 1tly s ARG 119 Ca 0.24 -2.00 -0.02 0.00 -0.47 0.00 0.00 55.73 53.48 1tly s ARG 119 Cb 0.13 -1.74 0.02 0.00 -0.57 0.00 0.00 34.95 32.79 1tly s ARG 119 CO -0.01 -0.01 0.08 -1.14 -1.08 0.00 0.00 175.30 173.15 1tly s GLN 120 N -3.72 0.07 -0.21 3.89 0.74 -0.26 0.83 119.66 121.00 1tly s GLN 120 Ca 0.36 0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.88 1tly s GLN 120 Cb 0.07 -0.03 0.07 0.00 1.10 0.00 0.00 33.01 34.22 1tly s GLN 120 CO 0.19 -0.06 0.11 0.45 -0.55 0.00 0.00 175.29 175.43 1tly s SER 121 N 0.36 2.70 -0.09 6.67 0.15 0.01 -0.84 113.70 122.66 1tly s SER 121 Ca -0.03 -0.82 0.03 0.00 0.70 0.00 0.00 55.95 55.83 1tly s SER 121 Cb -0.04 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1tly s SER 121 CO -0.01 -0.38 -0.17 -0.89 1.20 0.00 0.00 173.24 172.99 1tly s THR 122 N 2.13 1.55 -0.23 6.45 2.01 0.45 -1.64 115.64 126.36 1tly s THR 122 Ca 0.05 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1tly s THR 122 Cb -0.16 -1.38 0.04 0.00 0.01 0.00 0.00 72.50 71.00 1tly s THR 122 CO -0.19 0.45 -0.13 0.86 -0.69 0.00 0.00 174.62 174.93 1tly s TRP 123 N 0.66 3.06 -0.21 4.92 -0.00 -0.88 -0.53 118.94 125.96 1tly s TRP 123 Ca -0.13 -1.90 -0.07 0.00 -0.00 0.00 0.00 56.10 53.99 1tly s TRP 123 Cb -0.16 -1.96 -0.04 0.00 -0.00 0.00 0.00 33.47 31.31 1tly s TRP 123 CO 0.04 -0.82 0.06 0.71 -0.00 0.00 0.00 176.95 176.94 1tly s TYR 124 N 1.22 3.17 0.05 5.86 1.51 -0.26 -1.45 117.35 127.44 1tly s TYR 124 Ca -0.02 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1tly s TYR 124 Cb -0.17 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1tly s TYR 124 CO -0.07 -0.06 -0.12 0.00 -1.11 0.00 0.00 175.55 174.19 1tly s MET 125 N 0.88 0.76 0.00 -0.62 0.23 0.27 -0.50 119.30 120.31 1tly s MET 125 Ca 0.04 -0.79 0.00 0.00 -1.03 0.00 0.00 55.69 53.90 1tly s MET 125 Cb -0.14 -0.70 0.00 0.00 -1.53 0.00 0.00 34.83 32.46 1tly s MET 125 CO 0.02 0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.59 1tly n GLY 126 N 1.63 -0.62 3.62 3.16 0.00 -0.16 -0.05 105.19 112.77 1tly n GLY 126 Ca -0.20 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 3.57 0.35 0.99 1.98 -0.46 -0.09 118.68 125.03 1tly s LEU 127 Ca 0.00 0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.33 1tly s LEU 127 Cb 0.00 -1.85 -0.05 0.00 0.66 0.00 0.00 46.19 44.95 1tly s LEU 127 CO 0.00 0.26 0.08 -0.83 -1.89 0.00 0.00 176.35 173.97 1tly s GLY 128 N -0.20 2.25 0.16 7.98 0.00 0.41 -1.06 107.32 116.86 1tly s GLY 128 Ca 0.05 -1.75 -0.24 0.00 0.00 0.00 0.00 44.72 42.78 1tly s GLY 128 CO 0.02 -1.83 0.74 -1.08 0.00 0.00 0.00 173.10 170.95 1tly s THR 129 N -3.28 0.00 -0.15 0.90 -1.32 0.13 -1.07 115.64 110.85 1tly s THR 129 Ca 0.32 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1tly s THR 129 Cb 0.07 -1.40 -0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1tly s THR 129 CO 0.15 0.00 -0.15 -1.81 -2.21 0.00 0.00 174.62 170.59 1tly s ASP 130 N -2.77 3.65 -0.12 8.08 1.01 -1.13 -2.35 116.67 123.04 1tly s ASP 130 Ca 0.06 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.79 1tly s ASP 130 Cb -0.02 -1.56 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 1tly s ASP 130 CO -0.05 0.09 0.12 -0.63 0.21 0.00 0.00 175.17 174.91 1tly s ILE 131 N 0.78 5.34 -0.51 0.77 1.09 0.21 -1.12 121.20 127.76 1tly s ILE 131 Ca -0.06 0.15 -0.14 0.00 -1.10 0.00 0.00 60.65 59.50 1tly s ILE 131 Cb -0.15 -3.32 0.12 0.00 -1.06 0.00 0.00 42.46 38.04 1tly s ILE 131 CO 0.00 0.61 0.43 -0.62 -0.10 0.00 0.00 174.94 175.27 1tly s ASP 132 N -0.97 6.03 0.00 3.58 3.68 0.16 -4.10 116.67 125.06 1tly s ASP 132 Ca 0.15 -1.74 0.29 0.00 2.13 0.00 0.00 52.55 53.37 1tly s ASP 132 Cb -0.12 -2.15 1.23 0.00 -1.45 0.00 0.00 42.92 40.44 1tly s ASP 132 CO 0.04 -0.77 1.86 0.35 0.13 0.00 0.00 175.17 176.77 1tly n THR 133 N 5.14 0.00 -0.91 1.71 -2.24 -1.26 -4.77 114.28 111.95 1tly n THR 133 Ca -0.12 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1tly n THR 133 Cb 0.41 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.26 0.27 3.80 3.38 0.00 -1.26 -4.97 105.19 107.67 1tly n GLY 134 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 3.36 -1.56 0.99 1.43 -1.26 -5.02 118.68 116.63 1tly s LEU 135 Ca 0.00 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1tly s LEU 135 Cb 0.00 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1tly s LEU 135 CO 0.00 -0.43 2.71 -2.65 0.23 0.00 0.00 176.35 176.21 1tly n PRO 136 N -1.32 3.53 -3.99 1.29 -0.02 -1.26 -4.83 135.00 128.40 1tly n PRO 136 Ca -0.01 -2.42 -0.13 0.00 -2.02 0.00 0.00 63.50 58.93 1tly n PRO 136 Cb 0.61 -2.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 2.20 2.03 -0.01 -0.52 0.23 -1.26 -4.24 119.30 117.74 1tly s MET 137 Ca 0.62 -1.66 0.05 0.00 -1.03 0.00 0.00 55.69 53.68 1tly s MET 137 Cb 0.17 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.96 1tly s MET 137 CO -0.07 -0.89 -0.17 -1.12 -2.03 0.00 0.00 175.02 170.74 1tly s SER 138 N -3.18 2.02 -0.02 -1.18 0.01 0.08 -4.87 113.70 106.55 1tly s SER 138 Ca 0.25 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1tly s SER 138 Cb -0.02 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.02 1tly s SER 138 CO 0.17 0.20 0.03 -0.22 0.41 0.00 0.00 173.24 173.84 1tly s LEU 139 N -0.45 1.06 0.03 2.44 1.98 -1.26 -0.91 118.68 121.57 1tly s LEU 139 Ca 0.06 0.03 0.03 0.00 -2.89 0.00 0.00 54.13 51.37 1tly s LEU 139 Cb -0.07 -0.10 -0.02 0.00 0.66 0.00 0.00 46.19 46.67 1tly s LEU 139 CO -0.01 -0.13 -0.11 -0.44 -1.89 0.00 0.00 176.35 173.78 1tly s SER 140 N 1.10 1.23 -0.01 3.68 0.01 -0.07 -0.62 113.70 119.02 1tly s SER 140 Ca -0.09 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1tly s SER 140 Cb -0.13 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1tly s SER 140 CO -0.03 -0.02 -0.08 -0.04 0.41 0.00 0.00 173.24 173.48 1tly s MET 141 N -1.01 0.69 0.01 12.44 -1.94 -0.99 -1.25 119.30 127.25 1tly s MET 141 Ca -0.01 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.65 1tly s MET 141 Cb -0.07 -0.67 -0.01 0.00 2.01 0.00 0.00 34.83 36.09 1tly s MET 141 CO 0.01 0.17 0.04 -0.80 -0.01 0.00 0.00 175.02 174.42 1tly s ASN 142 N -0.14 0.13 -0.03 3.03 0.01 0.25 -0.70 114.94 117.51 1tly s ASN 142 Ca 0.02 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1tly s ASN 142 Cb -0.04 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.77 1tly s ASN 142 CO -0.00 -0.30 -0.09 0.68 -1.51 0.00 0.00 177.10 175.87 1tly s VAL 143 N -1.31 0.83 0.11 1.60 -7.23 -0.23 -0.65 120.40 113.52 1tly s VAL 143 Ca -0.14 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1tly s VAL 143 Cb -0.08 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1tly s VAL 143 CO 0.00 0.26 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.70 1tly s TYR 144 N 0.25 0.92 0.23 2.82 1.51 0.33 -1.36 117.35 122.05 1tly s TYR 144 Ca -0.04 -0.96 0.10 0.00 -1.01 0.00 0.00 57.07 55.16 1tly s TYR 144 Cb -0.09 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 1tly s TYR 144 CO 0.01 -0.20 -0.13 0.00 -1.11 0.00 0.00 175.55 174.12 1tly s ALA 145 N -3.68 2.86 0.01 3.71 0.00 0.93 -1.70 121.76 123.90 1tly s ALA 145 Ca 0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1tly s ALA 145 Cb 0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1tly s ALA 145 CO -0.03 0.36 0.06 -1.59 0.00 0.00 0.00 175.76 174.56 1tly s LYS 146 N -3.18 0.38 -0.13 0.00 -2.85 -1.15 -0.57 119.74 112.25 1tly s LYS 146 Ca 0.27 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.97 54.74 1tly s LYS 146 Cb -0.07 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1tly s LYS 146 CO 0.15 -0.08 0.01 -0.47 0.10 0.00 0.00 175.35 175.06 1tly s TYR 147 N -1.32 3.16 -0.19 1.78 5.04 -0.53 -1.26 117.35 124.03 1tly s TYR 147 Ca -0.14 0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.48 1tly s TYR 147 Cb -0.08 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 1tly s TYR 147 CO 0.00 0.27 0.01 -1.14 -1.34 0.00 0.00 175.55 173.35 1tly s GLN 148 N -0.24 3.71 0.00 4.97 2.00 0.22 -2.07 119.66 128.24 1tly s GLN 148 Ca 0.06 -0.48 0.00 0.00 -2.00 0.00 0.00 55.36 52.94 1tly s GLN 148 Cb -0.12 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.59 1tly s GLN 148 CO 0.02 0.10 0.00 0.91 -0.50 0.00 0.00 175.29 175.82 1tly n TRP 149 N 4.01 0.00 -2.59 1.67 8.01 -0.65 0.33 117.44 128.22 1tly n TRP 149 Ca -0.17 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.67 1tly n TRP 149 Cb 0.52 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.78 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 2.23 4.07 -0.45 -0.99 1.11 -1.25 -1.69 119.66 122.69 1tly s GLN 150 Ca 0.00 1.41 0.07 0.00 0.01 0.00 0.00 55.36 56.85 1tly s GLN 150 Cb 0.00 -2.37 0.28 0.00 -1.01 0.00 0.00 33.01 29.91 1tly s GLN 150 CO 0.00 -0.20 0.88 -1.71 0.01 0.00 0.00 175.29 174.27 1tly n ASN 151 N -0.39 -1.73 -3.41 5.90 4.05 -1.13 -0.81 115.26 117.74 1tly n ASN 151 Ca 0.06 -3.30 -0.22 0.00 0.45 0.00 0.00 54.58 51.58 1tly n ASN 151 Cb 0.51 1.14 -0.02 0.00 1.23 0.00 0.00 39.78 42.64 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 1.02 -1.67 -1.16 1.20 4.02 0.24 -0.21 117.16 120.61 1tly n TYR 152 Ca 0.12 0.39 -0.05 0.00 -0.01 0.00 0.00 57.90 58.35 1tly n TYR 152 Cb 0.64 -2.19 -0.02 0.00 -0.02 0.00 0.00 39.34 37.74 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 -0.97 0.79 3.77 2.72 0.00 -1.20 -4.83 105.19 105.48 1tly n GLY 153 Ca 0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.15 1.85 -1.03 4.61 0.00 0.71 -4.93 121.76 120.82 1tly s ALA 154 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 51.96 51.82 1tly s ALA 154 Cb 0.00 -3.11 0.48 0.00 0.00 0.00 0.00 23.12 20.49 1tly s ALA 154 CO 0.00 -2.10 1.35 0.00 0.00 0.00 0.00 175.76 175.01 1tly n ALA 155 N -3.68 1.52 -1.06 0.00 0.00 -1.26 -2.80 120.51 113.23 1tly n ALA 155 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1tly n ALA 155 Cb 0.57 -1.18 0.29 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.48 4.30 -4.79 0.00 6.94 -1.26 -4.99 115.26 113.98 1tly n ASN 156 Ca 0.03 -3.17 -0.34 0.00 -0.02 0.00 0.00 54.58 51.08 1tly n ASN 156 Cb 0.13 -0.64 -0.01 0.00 -2.36 0.00 0.00 39.78 36.90 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 -2.93 3.49 -0.67 -3.83 2.02 -1.12 -4.29 118.70 111.36 1tly s GLU 157 Ca 0.48 1.42 -0.12 0.00 0.02 0.00 0.00 54.97 56.77 1tly s GLU 157 Cb 0.39 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.60 1tly s GLU 157 CO 0.10 -0.70 0.64 0.09 0.02 0.00 0.00 175.26 175.41 1tly n ASN 158 N -1.38 -5.80 -3.60 -0.19 4.13 0.15 -4.94 115.26 103.62 1tly n ASN 158 Ca 0.10 -0.46 0.01 0.00 1.68 0.00 0.00 54.58 55.91 1tly n ASN 158 Cb 0.52 -2.61 -0.01 0.00 -1.54 0.00 0.00 39.78 36.14 1tly n ASN 158 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1tly s GLU 159 N -3.72 0.16 -0.09 3.52 -1.05 -0.79 -4.99 118.70 111.74 1tly s GLU 159 Ca 0.13 -0.08 -0.26 0.00 -0.15 0.00 0.00 54.97 54.61 1tly s GLU 159 Cb -0.02 0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 1tly s GLU 159 CO 0.86 -0.07 0.81 -1.58 0.95 0.00 0.00 175.26 176.23 1tly s TRP 160 N -2.19 3.53 -0.16 4.83 0.52 -1.26 -0.61 118.94 123.60 1tly s TRP 160 Ca 0.13 1.35 -0.07 0.00 0.02 0.00 0.00 56.10 57.53 1tly s TRP 160 Cb 0.04 -2.96 0.06 0.00 -1.15 0.00 0.00 33.47 29.46 1tly s TRP 160 CO -0.05 -0.07 0.36 0.34 0.02 0.00 0.00 176.95 177.55 1tly s ASP 161 N 0.99 -0.31 0.32 2.95 3.68 -0.39 -4.94 116.67 118.98 1tly s ASP 161 Ca 0.41 0.79 0.00 0.00 2.13 0.00 0.00 52.55 55.88 1tly s ASP 161 Cb -0.18 0.79 0.00 0.00 -1.45 0.00 0.00 42.92 42.08 1tly s ASP 161 CO 0.18 -0.20 0.00 0.61 0.13 0.00 0.00 175.17 175.89 1tly n GLY 162 N 4.60 -2.45 3.25 2.66 0.00 -1.21 -4.40 105.19 107.62 1tly n GLY 162 Ca -0.19 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.89 1.24 -0.05 1.61 1.51 0.87 -2.92 117.35 116.72 1tly s TYR 163 Ca 0.00 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.07 1tly s TYR 163 Cb 0.00 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1tly s TYR 163 CO 0.00 -0.14 0.12 0.50 -1.11 0.00 0.00 175.55 174.92 1tly s ARG 164 N -3.88 0.09 -0.18 -0.62 3.52 -0.69 -1.48 118.95 115.71 1tly s ARG 164 Ca 0.22 0.28 -0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1tly s ARG 164 Cb 0.05 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1tly s ARG 164 CO 0.03 -0.12 -0.06 0.12 -0.81 0.00 0.00 175.30 174.47 1tly s PHE 165 N 0.79 2.94 -0.14 5.12 5.36 0.64 -0.51 117.98 132.18 1tly s PHE 165 Ca -0.06 -0.67 0.03 0.00 -0.96 0.00 0.00 56.93 55.27 1tly s PHE 165 Cb -0.08 -2.00 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1tly s PHE 165 CO -0.04 -0.31 -0.22 0.21 -1.46 0.00 0.00 175.22 173.40 1tly s LYS 166 N 0.88 3.03 -0.11 10.12 2.20 0.17 -0.51 119.74 135.52 1tly s LYS 166 Ca -0.01 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1tly s LYS 166 Cb -0.15 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1tly s LYS 166 CO 0.01 0.00 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.31 1tly s ILE 167 N 0.77 1.73 -0.00 5.43 2.07 -0.74 -0.58 121.20 129.88 1tly s ILE 167 Ca -0.08 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 1tly s ILE 167 Cb -0.16 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 40.90 1tly s ILE 167 CO -0.01 0.49 -0.00 -1.59 -1.91 0.00 0.00 174.94 171.92 1tly s LYS 168 N 0.70 0.04 0.03 3.50 -2.85 -0.38 -0.35 119.74 120.43 1tly s LYS 168 Ca -0.12 0.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.89 1tly s LYS 168 Cb -0.16 -0.08 -0.02 0.00 -2.06 0.00 0.00 37.83 35.51 1tly s LYS 168 CO 0.02 -0.02 -0.09 1.52 0.10 0.00 0.00 175.35 176.89 1tly s TYR 169 N 0.15 0.76 -0.10 1.78 -0.85 0.21 -0.89 117.35 118.41 1tly s TYR 169 Ca -0.01 -0.37 0.04 0.00 -0.52 0.00 0.00 57.07 56.21 1tly s TYR 169 Cb -0.02 -0.46 -0.00 0.00 0.38 0.00 0.00 41.96 41.86 1tly s TYR 169 CO -0.00 -0.03 -0.22 0.12 -1.52 0.00 0.00 175.55 173.89 1tly s PHE 170 N -0.95 2.59 -0.24 -3.49 5.36 -0.09 -1.39 117.98 119.77 1tly s PHE 170 Ca -0.04 -0.94 -0.03 0.00 -0.96 0.00 0.00 56.93 54.96 1tly s PHE 170 Cb -0.08 -1.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.97 1tly s PHE 170 CO 0.01 -0.36 0.08 0.08 -1.46 0.00 0.00 175.22 173.57 1tly s VAL 171 N 0.28 0.33 0.14 3.12 1.01 0.32 -0.74 120.40 124.84 1tly s VAL 171 Ca -0.16 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1tly s VAL 171 Cb -0.17 -1.07 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1tly s VAL 171 CO 0.08 -0.47 1.70 -2.84 0.00 0.00 0.00 175.10 173.57 1tly s PRO 172 N 1.92 4.17 0.00 2.72 0.02 -1.26 -1.13 135.00 141.44 1tly s PRO 172 Ca 0.05 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1tly s PRO 172 Cb -0.17 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1tly s PRO 172 CO -0.20 -0.74 0.00 -0.89 -0.33 0.00 0.00 177.00 174.84 1tly n ILE 173 N 4.39 0.00 -2.90 2.83 5.41 -0.76 -4.91 119.36 123.42 1tly n ILE 173 Ca 0.16 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1tly n ILE 173 Cb 0.38 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 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 -1.47 0.00 -3.95 1.39 -2.24 -1.04 -5.02 114.28 101.95 1tly n THR 174 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1tly n THR 174 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.26 5.78 -0.05 3.42 1.01 -1.26 -0.04 116.67 125.27 1tly s ASP 175 Ca 0.00 0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.37 1tly s ASP 175 Cb 0.00 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1tly s ASP 175 CO 0.00 0.19 0.10 -0.22 0.21 0.00 0.00 175.17 175.45 1tly s LEU 176 N 0.28 0.97 -1.41 1.23 1.98 0.17 -4.88 118.68 117.02 1tly s LEU 176 Ca 0.05 0.19 -0.09 0.00 -2.89 0.00 0.00 54.13 51.39 1tly s LEU 176 Cb -0.12 0.20 0.06 0.00 0.66 0.00 0.00 46.19 46.99 1tly s LEU 176 CO -0.00 -0.13 0.63 0.79 -1.89 0.00 0.00 176.35 175.75 1tly n TRP 177 N 4.05 -1.95 -0.18 5.38 8.01 -1.26 -0.99 117.44 130.51 1tly n TRP 177 Ca -0.25 0.58 0.00 0.00 -1.31 0.00 0.00 57.50 56.52 1tly n TRP 177 Cb 0.52 -3.54 0.00 0.00 -2.01 0.00 0.00 31.31 26.28 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 2.08 3.66 6.99 0.00 -1.26 -5.00 105.19 110.29 1tly n GLY 178 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 3.10 3.32 -0.02 0.00 -0.16 -4.92 105.19 104.52 1tly n GLY 179 Ca 0.00 -2.33 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 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 -4.03 2.87 0.06 1.61 -0.21 0.13 -0.65 119.66 119.44 1tly s GLN 180 Ca 0.17 -1.01 -0.25 0.00 0.02 0.00 0.00 55.36 54.29 1tly s GLN 180 Cb -0.01 -3.47 -0.06 0.00 1.00 0.00 0.00 33.01 30.47 1tly s GLN 180 CO 0.11 -0.57 0.78 -1.17 -2.12 0.00 0.00 175.29 172.32 1tly s LEU 181 N 1.47 4.47 0.17 2.90 2.96 0.95 -1.48 118.68 130.12 1tly s LEU 181 Ca 0.01 1.49 -0.07 0.00 -0.22 0.00 0.00 54.13 55.34 1tly s LEU 181 Cb -0.18 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1tly s LEU 181 CO 0.03 0.04 0.23 -0.94 -1.32 0.00 0.00 176.35 174.39 1tly s SER 182 N -0.19 0.10 -0.05 3.68 1.04 0.21 -1.83 113.70 116.67 1tly s SER 182 Ca 0.39 -1.00 0.06 0.00 0.48 0.00 0.00 55.95 55.88 1tly s SER 182 Cb -0.21 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1tly s SER 182 CO 0.24 -0.87 -0.24 -0.47 0.98 0.00 0.00 173.24 172.88 1tly s TYR 183 N -4.01 2.30 -0.02 5.02 5.04 -0.28 -1.02 117.35 124.38 1tly s TYR 183 Ca 0.21 -0.62 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 1tly s TYR 183 Cb 0.04 -1.51 0.01 0.00 0.35 0.00 0.00 41.96 40.85 1tly s TYR 183 CO 0.02 -0.17 -0.07 0.42 -1.34 0.00 0.00 175.55 174.41 1tly s ILE 184 N -0.25 0.64 -0.03 3.14 1.01 0.70 -0.53 121.20 125.89 1tly s ILE 184 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1tly s ILE 184 Cb -0.12 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1tly s ILE 184 CO 0.02 0.21 0.07 -0.83 0.00 0.00 0.00 174.94 174.41 1tly s GLY 185 N 0.26 -0.05 -0.06 6.18 0.00 -0.48 0.76 107.32 113.93 1tly s GLY 185 Ca -0.04 0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1tly s GLY 185 CO 0.00 0.16 0.45 -0.11 0.00 0.00 0.00 173.10 173.60 1tly s PHE 186 N 0.01 -0.39 0.01 1.90 -0.12 -1.03 0.65 117.98 119.00 1tly s PHE 186 Ca -0.00 0.72 0.02 0.00 -0.05 0.00 0.00 56.93 57.62 1tly s PHE 186 Cb -0.01 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1tly s PHE 186 CO 0.00 -0.43 -0.07 0.99 -0.05 0.00 0.00 175.22 175.67 1tly s THR 187 N -0.97 0.50 -0.31 -4.49 2.01 0.52 -0.74 115.64 112.15 1tly s THR 187 Ca -0.10 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1tly s THR 187 Cb -0.03 -0.46 0.06 0.00 0.01 0.00 0.00 72.50 72.08 1tly s THR 187 CO 0.05 -0.01 0.01 0.20 -0.69 0.00 0.00 174.62 174.18 1tly s ASN 188 N -0.55 4.86 -0.34 3.53 0.02 -0.51 -1.80 114.94 120.15 1tly s ASN 188 Ca -0.01 -1.47 -0.15 0.00 -1.02 0.00 0.00 52.86 50.21 1tly s ASN 188 Cb -0.04 -1.70 -0.01 0.00 0.02 0.00 0.00 41.25 39.52 1tly s ASN 188 CO 0.00 -0.30 0.36 -0.36 0.02 0.00 0.00 177.10 176.82 1tly s PHE 189 N 1.18 3.21 -0.09 2.20 0.40 0.34 -2.44 117.98 122.78 1tly s PHE 189 Ca -0.03 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1tly s PHE 189 Cb -0.20 -2.66 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1tly s PHE 189 CO -0.03 -0.41 -0.13 -0.51 0.70 0.00 0.00 175.22 174.84 1tly s ASP 190 N 1.73 4.08 0.25 1.36 -0.00 0.33 -0.26 116.67 124.17 1tly s ASP 190 Ca 0.12 -0.23 -0.20 0.00 -0.00 0.00 0.00 52.55 52.23 1tly s ASP 190 Cb -0.16 -1.20 0.03 0.00 -0.00 0.00 0.00 42.92 41.58 1tly s ASP 190 CO 0.12 0.27 0.67 -1.66 -0.00 0.00 0.00 175.17 174.56 1tly s TRP 191 N -0.27 -0.20 0.00 4.23 -2.14 -0.55 -0.44 118.94 119.57 1tly s TRP 191 Ca 0.02 -0.20 0.00 0.00 2.66 0.00 0.00 56.10 58.58 1tly s TRP 191 Cb -0.13 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 30.86 1tly s TRP 191 CO 0.03 -1.13 0.00 0.41 -2.66 0.00 0.00 176.95 173.60 1tly n GLY 192 N -0.43 0.79 3.76 3.67 0.00 -1.14 -0.09 105.19 111.75 1tly n GLY 192 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.62 4.02 0.00 1.61 0.15 -0.44 -3.36 113.70 113.07 1tly s SER 193 Ca 0.00 1.42 0.20 0.00 0.70 0.00 0.00 55.95 58.28 1tly s SER 193 Cb 0.00 -2.13 0.06 0.00 -1.71 0.00 0.00 66.02 62.24 1tly s SER 193 CO 0.00 -2.28 1.05 -0.90 1.20 0.00 0.00 173.24 172.31 1tly n ASP 194 N -3.65 2.20 -3.41 5.45 5.75 -1.26 -4.63 116.55 117.01 1tly n ASP 194 Ca 0.07 -1.60 -0.31 0.00 -0.01 0.00 0.00 54.79 52.94 1tly n ASP 194 Cb 0.56 0.29 0.29 0.00 -1.03 0.00 0.00 41.12 41.22 1tly n ASP 194 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1tly s LEU 195 N -2.06 -1.15 0.00 -2.12 1.43 -1.26 -2.07 118.68 111.45 1tly s LEU 195 Ca 0.19 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1tly s LEU 195 Cb 0.16 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1tly s LEU 195 CO 0.40 -5.40 0.00 0.61 0.23 0.00 0.00 176.35 172.19 1tly n GLY 196 N 1.38 1.19 0.33 -3.19 0.00 -1.26 -3.84 105.19 99.79 1tly n GLY 196 Ca 0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.67 0.00 1.61 3.32 -1.81 -3.19 116.42 115.67 1tly h ASP 197 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1tly h ASP 197 Cb 0.00 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1tly h ASP 197 CO 0.00 -0.36 0.00 0.47 -1.72 0.00 0.00 179.24 177.63 1tly n ASP 198 N -5.36 0.00 -4.88 6.45 10.43 -0.88 -4.81 116.55 117.49 1tly n ASP 198 Ca -0.12 -1.64 -0.23 0.00 2.57 0.00 0.00 54.79 55.36 1tly n ASP 198 Cb 0.35 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.29 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 -1.32 4.82 0.00 -2.24 0.01 -1.21 -4.86 113.70 108.91 1tly s SER 199 Ca 0.14 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1tly s SER 199 Cb 0.06 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1tly s SER 199 CO 0.11 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1tly n GLY 200 N -1.65 0.64 3.71 3.44 0.00 -1.26 -4.81 105.19 105.26 1tly n GLY 200 Ca 0.02 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 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 4.42 0.47 1.61 0.01 -1.26 -2.66 114.94 116.52 1tly s ASN 201 Ca 0.00 -0.99 0.06 0.00 -0.71 0.00 0.00 52.86 51.22 1tly s ASN 201 Cb 0.00 -0.55 0.02 0.00 0.41 0.00 0.00 41.25 41.13 1tly s ASN 201 CO 0.00 -0.41 0.64 0.00 -1.51 0.00 0.00 177.10 175.82 1tly s ALA 202 N -2.54 4.35 0.40 0.60 0.00 0.26 -4.61 121.76 120.23 1tly s ALA 202 Ca 0.39 -1.60 0.12 0.00 0.00 0.00 0.00 51.96 50.87 1tly s ALA 202 Cb 0.01 -1.75 0.94 0.00 0.00 0.00 0.00 23.12 22.33 1tly s ALA 202 CO 0.22 -0.45 1.94 0.82 0.00 0.00 0.00 175.76 178.29 1tly h ILE 203 N 0.45 0.88 -0.28 0.00 2.04 -1.25 -0.95 117.51 118.41 1tly h ILE 203 Ca -0.40 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1tly h ILE 203 Cb 1.28 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1tly h ILE 203 CO 0.47 0.10 0.35 -1.13 0.00 0.00 0.00 178.15 177.94 1tly h ASN 204 N 0.53 0.00 0.00 1.72 -1.24 -1.93 -3.46 115.58 111.20 1tly h ASN 204 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1tly h ASN 204 Cb 0.60 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1tly h ASN 204 CO -0.12 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.63 1tly n GLY 205 N -1.42 3.03 3.83 1.57 0.00 -0.36 -4.95 105.19 106.88 1tly n GLY 205 Ca 0.04 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.20 2.31 0.45 -0.61 -4.36 -1.26 -4.63 121.20 111.91 1tly s ILE 206 Ca 0.00 0.10 -0.22 0.00 -0.26 0.00 0.00 60.65 60.27 1tly s ILE 206 Cb 0.00 -2.93 -0.08 0.00 1.25 0.00 0.00 42.46 40.70 1tly s ILE 206 CO 0.00 -0.13 1.08 -0.54 0.24 0.00 0.00 174.94 175.59 1tly s LYS 207 N -5.34 3.89 -0.01 0.37 1.02 -1.26 -0.57 119.74 117.83 1tly s LYS 207 Ca 0.62 1.54 -0.24 0.00 0.02 0.00 0.00 55.97 57.92 1tly s LYS 207 Cb -0.13 -2.33 -0.19 0.00 -0.52 0.00 0.00 37.83 34.65 1tly s LYS 207 CO 0.52 -0.39 1.22 1.79 -0.92 0.00 0.00 175.35 177.57 1tly h THR 208 N 1.84 1.43 -6.28 2.17 1.35 -1.76 -3.42 112.91 108.23 1tly h THR 208 Ca -0.49 -1.44 -0.52 0.00 -0.55 0.00 0.00 66.41 63.42 1tly h THR 208 Cb 1.23 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1tly h THR 208 CO 0.60 0.39 -0.15 0.54 -0.25 0.00 0.00 175.52 176.66 1tly n ARG 209 N -4.66 0.64 -4.32 4.72 5.12 -1.26 -0.84 116.66 116.06 1tly n ARG 209 Ca -0.08 -3.22 -0.18 0.00 -1.93 0.00 0.00 57.85 52.44 1tly n ARG 209 Cb 0.36 -0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.51 1tly n ARG 209 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1tly s THR 210 N -2.62 0.67 -0.17 0.55 2.01 -0.37 -4.22 115.64 111.49 1tly s THR 210 Ca 0.49 -0.42 0.29 0.00 0.31 0.00 0.00 61.69 62.36 1tly s THR 210 Cb -0.04 -0.58 0.36 0.00 0.01 0.00 0.00 72.50 72.25 1tly s THR 210 CO 0.31 0.15 1.83 0.78 -0.69 0.00 0.00 174.62 177.00 1tly h ASN 211 N 5.81 0.00 -4.46 3.53 -0.26 -1.82 -3.41 115.58 114.97 1tly h ASN 211 Ca -0.31 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 54.95 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 0.49 0.00 -0.52 0.54 -1.06 0.00 0.00 177.43 176.88 1tly s ASN 212 N -5.63 2.04 -0.22 5.81 2.20 -1.26 -1.33 114.94 116.54 1tly s ASN 212 Ca 0.04 -1.66 -0.30 0.00 -0.94 0.00 0.00 52.86 50.00 1tly s ASN 212 Cb 0.08 0.48 0.16 0.00 -2.00 0.00 0.00 41.25 39.97 1tly s ASN 212 CO 0.57 -0.95 1.21 -0.55 -2.94 0.00 0.00 177.10 174.43 1tly s SER 213 N -3.46 -0.17 -0.01 3.54 0.15 0.41 -4.53 113.70 109.62 1tly s SER 213 Ca 0.33 0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.15 1tly s SER 213 Cb 0.03 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1tly s SER 213 CO 0.19 -0.18 -0.05 -0.63 1.20 0.00 0.00 173.24 173.78 1tly s ILE 214 N -1.29 0.41 -0.19 6.45 1.01 -0.60 -0.51 121.20 126.49 1tly s ILE 214 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1tly s ILE 214 Cb -0.01 -0.38 0.06 0.00 0.01 0.00 0.00 42.46 42.14 1tly s ILE 214 CO -0.04 0.14 0.06 0.00 0.00 0.00 0.00 174.94 175.10 1tly s ALA 215 N 0.21 0.80 -0.09 9.38 0.00 -1.02 -0.27 121.76 130.77 1tly s ALA 215 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1tly s ALA 215 Cb -0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1tly s ALA 215 CO -0.00 -1.18 -0.09 0.45 0.00 0.00 0.00 175.76 174.93 1tly s SER 216 N 1.95 4.39 -0.01 0.00 0.15 0.82 -1.43 113.70 119.59 1tly s SER 216 Ca 0.00 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.57 1tly s SER 216 Cb -0.17 -1.31 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 1tly s SER 216 CO -0.09 0.28 -0.22 -0.44 1.20 0.00 0.00 173.24 173.97 1tly s SER 217 N -0.32 2.63 -0.12 5.45 0.01 0.08 -0.09 113.70 121.36 1tly s SER 217 Ca 0.04 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 1tly s SER 217 Cb -0.13 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.85 1tly s SER 217 CO 0.02 0.26 -0.09 -1.00 0.41 0.00 0.00 173.24 172.84 1tly s HIS 218 N -0.57 1.62 -0.10 2.43 3.76 0.42 -2.48 115.29 120.37 1tly s HIS 218 Ca 0.09 -0.83 0.03 0.00 -0.15 0.00 0.00 55.06 54.20 1tly s HIS 218 Cb -0.09 -1.30 0.01 0.00 1.11 0.00 0.00 32.58 32.31 1tly s HIS 218 CO -0.00 -0.53 -0.18 0.42 -0.85 0.00 0.00 174.74 173.60 1tly s ILE 219 N 1.60 1.61 -0.31 0.60 1.01 0.23 -0.64 121.20 125.29 1tly s ILE 219 Ca 0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1tly s ILE 219 Cb -0.13 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.94 1tly s ILE 219 CO -0.08 0.46 0.07 -0.22 0.00 0.00 0.00 174.94 175.17 1tly s LEU 220 N 0.69 4.04 -0.07 2.97 2.96 -0.42 -0.22 118.68 128.64 1tly s LEU 220 Ca -0.13 -1.04 0.06 0.00 -0.22 0.00 0.00 54.13 52.81 1tly s LEU 220 Cb -0.16 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1tly s LEU 220 CO 0.03 -0.27 -0.25 0.00 -1.32 0.00 0.00 176.35 174.54 1tly s ALA 221 N 1.39 2.16 -0.29 5.97 0.00 -0.19 -0.54 121.76 130.27 1tly s ALA 221 Ca -0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1tly s ALA 221 Cb -0.19 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.24 1tly s ALA 221 CO 0.01 0.39 0.07 -1.17 0.00 0.00 0.00 175.76 175.07 1tly s LEU 222 N -0.07 3.77 -0.18 0.00 0.20 0.12 -0.62 118.68 121.91 1tly s LEU 222 Ca -0.06 -0.70 -0.02 0.00 0.69 0.00 0.00 54.13 54.03 1tly s LEU 222 Cb -0.15 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1tly s LEU 222 CO 0.05 -0.18 -0.09 0.20 -0.29 0.00 0.00 176.35 176.04 1tly s ASN 223 N 1.49 4.13 0.43 3.68 0.01 -0.55 -1.25 114.94 122.88 1tly s ASN 223 Ca 0.02 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1tly s ASN 223 Cb -0.17 -1.67 0.05 0.00 0.41 0.00 0.00 41.25 39.87 1tly s ASN 223 CO 0.02 0.07 0.39 -1.22 -1.51 0.00 0.00 177.10 174.85 1tly n TYR 224 N 4.18 -1.22 -0.29 2.20 4.02 0.14 -0.69 117.16 125.50 1tly n TYR 224 Ca -0.18 -1.74 0.21 0.00 -0.01 0.00 0.00 57.90 56.18 1tly n TYR 224 Cb 0.52 -0.36 0.51 0.00 -0.02 0.00 0.00 39.34 39.98 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 0.39 0.42 0.00 7.72 -0.00 -1.99 -3.37 116.42 119.60 1tly h ASP 225 Ca -0.25 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 1tly h ASP 225 Cb 0.97 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 1tly h ASP 225 CO 0.39 0.13 -0.13 1.41 -0.00 0.00 0.00 179.24 181.04 1tly n HIS 226 N -4.55 0.00 -3.26 0.28 8.25 -1.26 -4.89 115.22 109.79 1tly n HIS 226 Ca 0.22 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.34 1tly n HIS 226 Cb 0.79 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.85 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 -1.15 3.50 0.03 4.41 0.52 -1.26 0.16 118.94 125.15 1tly s TRP 227 Ca 0.00 1.12 -0.07 0.00 0.02 0.00 0.00 56.10 57.17 1tly s TRP 227 Cb 0.00 -2.44 -0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1tly s TRP 227 CO 0.00 0.27 0.13 -3.38 0.02 0.00 0.00 176.95 174.00 1tly s HIS 228 N -1.72 0.11 -0.01 -1.98 -3.43 -0.99 -0.68 115.29 106.58 1tly s HIS 228 Ca 0.46 -0.32 0.04 0.00 -0.80 0.00 0.00 55.06 54.45 1tly s HIS 228 Cb -0.13 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 1tly s HIS 228 CO 0.19 -0.35 -0.14 0.71 -2.00 0.00 0.00 174.74 173.15 1tly s TYR 229 N -2.14 1.29 -0.02 0.38 1.51 -0.38 -2.32 117.35 115.67 1tly s TYR 229 Ca -0.09 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1tly s TYR 229 Cb -0.04 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1tly s TYR 229 CO -0.02 -0.04 0.03 -1.12 -1.11 0.00 0.00 175.55 173.29 1tly s SER 230 N -0.28 0.03 -0.12 2.29 0.01 0.14 0.16 113.70 115.92 1tly s SER 230 Ca 0.04 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1tly s SER 230 Cb -0.06 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 1tly s SER 230 CO -0.00 -0.08 0.01 -0.69 0.41 0.00 0.00 173.24 172.88 1tly s VAL 231 N 0.69 4.37 -0.13 3.43 1.01 0.30 -1.18 120.40 128.89 1tly s VAL 231 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1tly s VAL 231 Cb -0.08 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1tly s VAL 231 CO -0.02 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.84 1tly s VAL 232 N -0.37 1.24 -0.21 2.92 1.01 -0.00 -1.30 120.40 123.69 1tly s VAL 232 Ca 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1tly s VAL 232 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1tly s VAL 232 CO 0.02 0.39 0.08 0.00 0.00 0.00 0.00 175.10 175.59 1tly s ALA 233 N 1.62 3.35 -0.02 5.51 0.00 0.18 -0.50 121.76 131.91 1tly s ALA 233 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1tly s ALA 233 Cb -0.13 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1tly s ALA 233 CO -0.09 -0.11 -0.14 0.50 0.00 0.00 0.00 175.76 175.91 1tly s ARG 234 N 0.91 1.28 -0.06 0.00 3.52 0.06 -0.44 118.95 124.23 1tly s ARG 234 Ca 0.04 -0.51 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 1tly s ARG 234 Cb -0.14 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 1tly s ARG 234 CO 0.03 0.27 -0.23 -0.47 -0.81 0.00 0.00 175.30 174.09 1tly s TYR 235 N -0.19 2.49 0.11 5.12 5.04 0.87 -0.75 117.35 130.03 1tly s TYR 235 Ca 0.03 -0.61 0.10 0.00 -2.44 0.00 0.00 57.07 54.15 1tly s TYR 235 Cb -0.07 -1.61 -0.04 0.00 0.35 0.00 0.00 41.96 40.59 1tly s TYR 235 CO 0.00 -0.14 -0.27 -1.58 -1.34 0.00 0.00 175.55 172.22 1tly s TRP 236 N -0.25 2.28 -0.26 4.97 0.51 -0.04 -0.12 118.94 126.02 1tly s TRP 236 Ca -0.01 -0.39 -0.00 0.00 -2.12 0.00 0.00 56.10 53.58 1tly s TRP 236 Cb -0.13 -1.27 0.08 0.00 -0.81 0.00 0.00 33.47 31.34 1tly s TRP 236 CO 0.03 0.28 0.03 -1.58 -0.51 0.00 0.00 176.95 175.20 1tly s HIS 237 N -1.01 2.02 -1.15 -1.98 5.65 0.63 -1.24 115.29 118.21 1tly s HIS 237 Ca 0.13 -1.69 -0.01 0.00 0.25 0.00 0.00 55.06 53.75 1tly s HIS 237 Cb -0.10 -1.65 0.00 0.00 -1.18 0.00 0.00 32.58 29.66 1tly s HIS 237 CO 0.05 -0.79 0.96 -0.25 -0.65 0.00 0.00 174.74 174.06 1tly n ASP 238 N 4.77 -2.40 -4.47 9.88 8.00 -1.12 -1.56 116.55 129.65 1tly n ASP 238 Ca -0.06 -0.58 -0.51 0.00 0.71 0.00 0.00 54.79 54.35 1tly n ASP 238 Cb 0.44 -4.87 -0.04 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.19 -0.95 2.39 0.44 0.00 0.29 0.21 105.19 106.37 1tly n GLY 239 Ca -0.25 0.48 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 1.81 0.97 3.11 -0.02 0.00 -1.25 -1.04 105.19 108.77 1tly n GLY 240 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.44 -5.44 -3.77 1.61 6.02 0.13 -4.93 117.38 108.56 1tly n GLN 241 Ca -0.19 0.90 -0.36 0.00 -0.01 0.00 0.00 57.00 57.34 1tly n GLN 241 Cb 0.62 -5.78 -0.10 0.00 1.02 0.00 0.00 30.24 25.99 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 -3.21 3.27 -0.32 1.08 0.52 -0.21 -1.23 118.94 118.84 1tly s TRP 242 Ca 0.35 0.10 -0.28 0.00 0.02 0.00 0.00 56.10 56.29 1tly s TRP 242 Cb -0.16 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.93 1tly s TRP 242 CO 0.44 0.04 1.89 1.21 0.02 0.00 0.00 176.95 180.54 1tly s ASN 243 N 0.94 5.78 0.09 2.95 2.47 -0.02 -4.24 114.94 122.91 1tly s ASN 243 Ca 0.06 1.39 -0.37 0.00 0.42 0.00 0.00 52.86 54.37 1tly s ASN 243 Cb -0.13 -2.52 -0.17 0.00 -1.45 0.00 0.00 41.25 36.97 1tly s ASN 243 CO 0.03 -1.79 1.30 -0.67 -3.72 0.00 0.00 177.10 172.26 1tly n ASP 244 N 10.68 1.49 0.00 -4.21 2.03 -1.26 -1.40 116.55 123.88 1tly n ASP 244 Ca 0.24 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.68 1tly n ASP 244 Cb 0.47 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 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 2.40 0.00 -4.71 1.67 4.64 0.19 -4.96 116.55 115.78 1tly n ASP 245 Ca 0.18 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.16 1tly n ASP 245 Cb 0.19 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.25 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 0.48 1.93 -2.61 -1.67 0.00 -0.49 -4.35 120.51 113.80 1tly n ALA 246 Ca 0.00 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 1tly n ALA 246 Cb 0.00 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 16.99 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 -0.46 4.05 0.40 0.00 2.12 -1.26 -0.94 118.70 122.62 1tly s GLU 247 Ca 0.66 0.18 0.04 0.00 0.36 0.00 0.00 54.97 56.20 1tly s GLU 247 Cb -0.56 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 1tly s GLU 247 CO 0.49 -0.30 0.06 -0.51 -0.54 0.00 0.00 175.26 174.46 1tly s LEU 248 N 2.13 2.28 -0.27 2.70 1.02 -0.15 -0.73 118.68 125.66 1tly s LEU 248 Ca 0.18 -1.51 0.00 0.00 0.02 0.00 0.00 54.13 52.82 1tly s LEU 248 Cb -0.16 -0.48 0.15 0.00 0.02 0.00 0.00 46.19 45.73 1tly s LEU 248 CO 0.09 -0.72 0.41 0.21 0.02 0.00 0.00 176.35 176.36 1tly s ASN 249 N -3.64 0.27 -0.03 2.29 3.84 -1.26 -0.57 114.94 115.83 1tly s ASN 249 Ca 0.26 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.33 1tly s ASN 249 Cb 0.06 1.15 0.37 0.00 -0.55 0.00 0.00 41.25 42.28 1tly s ASN 249 CO 0.13 -0.33 1.27 0.49 -2.79 0.00 0.00 177.10 175.87 1tly n PHE 250 N 5.36 0.67 0.00 0.43 3.72 -1.26 -4.84 117.46 121.54 1tly n PHE 250 Ca -0.01 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 1tly n PHE 250 Cb 0.50 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.96 1.74 0.00 1.37 0.00 -1.26 -4.97 105.19 103.03 1tly n GLY 251 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 0.00 1.61 3.02 -1.26 -5.14 115.26 113.49 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 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.69 3.77 7.41 0.00 -1.26 -5.04 105.19 112.76 1tly n GLY 253 Ca 0.00 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 6.47 0.05 1.61 0.01 -1.26 -4.28 114.94 117.55 1tly s ASN 254 Ca 0.00 2.32 -0.13 0.00 -0.71 0.00 0.00 52.86 54.33 1tly s ASN 254 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1tly s ASN 254 CO 0.00 -0.71 0.30 0.72 -1.51 0.00 0.00 177.10 175.90 1tly s PHE 255 N -1.46 -0.09 -0.07 2.20 -0.12 0.27 -4.99 117.98 113.72 1tly s PHE 255 Ca 0.58 -0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 57.35 1tly s PHE 255 Cb -0.30 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 1tly s PHE 255 CO 0.37 -0.52 0.02 -0.80 -0.05 0.00 0.00 175.22 174.24 1tly s ASN 256 N -2.21 5.36 0.15 1.98 0.01 -1.26 -0.98 114.94 117.99 1tly s ASN 256 Ca -0.03 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.97 1tly s ASN 256 Cb -0.00 -1.52 -0.07 0.00 0.41 0.00 0.00 41.25 40.07 1tly s ASN 256 CO -0.05 0.36 1.08 -0.69 -1.51 0.00 0.00 177.10 176.30 1tly s VAL 257 N -0.94 4.01 -0.66 1.60 1.01 -0.11 -4.90 120.40 120.40 1tly s VAL 257 Ca 0.15 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.86 1tly s VAL 257 Cb -0.11 -4.08 0.30 0.00 0.00 0.00 0.00 36.38 32.49 1tly s VAL 257 CO 0.04 0.27 0.96 0.54 0.00 0.00 0.00 175.10 176.91 1tly n ARG 258 N 2.62 3.19 0.00 2.72 5.12 -1.26 0.52 116.66 129.57 1tly n ARG 258 Ca 0.03 -4.77 0.13 0.00 -1.93 0.00 0.00 57.85 51.32 1tly n ARG 258 Cb 0.47 -2.28 0.60 0.00 -1.16 0.00 0.00 32.46 30.09 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 0.26 0.00 -4.40 0.55 3.41 -1.26 -4.71 113.62 107.46 1tly n SER 259 Ca 0.31 0.41 -0.33 0.00 -0.26 0.00 0.00 58.87 59.00 1tly n SER 259 Cb 0.39 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.94 3.37 -5.00 6.66 2.01 -1.26 -0.55 115.64 117.93 1tly s THR 260 Ca 0.15 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1tly s THR 260 Cb 0.18 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1tly s THR 260 CO 0.48 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.52 1tly n GLY 261 N 3.70 -0.06 3.92 4.40 0.00 -0.37 -4.97 105.19 111.81 1tly n GLY 261 Ca -0.18 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.10 3.49 0.28 1.61 0.52 -1.26 -0.86 118.94 120.62 1tly s TRP 262 Ca 0.00 0.33 -0.12 0.00 0.02 0.00 0.00 56.10 56.33 1tly s TRP 262 Cb 0.00 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1tly s TRP 262 CO 0.00 0.42 0.53 0.20 0.02 0.00 0.00 176.95 178.13 1tly s GLY 263 N -3.02 0.64 0.26 0.98 0.00 0.07 -4.84 107.32 101.41 1tly s GLY 263 Ca 0.38 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 1tly s GLY 263 CO 0.28 -0.62 0.49 -0.32 0.00 0.00 0.00 173.10 172.93 1tly s GLY 264 N -3.06 0.66 -0.00 0.20 0.00 0.31 -0.76 107.32 104.67 1tly s GLY 264 Ca 0.22 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 1tly s GLY 264 CO 0.11 -0.67 0.05 -0.19 0.00 0.00 0.00 173.10 172.40 1tly s TYR 265 N -3.83 0.09 -0.10 1.90 1.51 0.35 -0.24 117.35 117.03 1tly s TYR 265 Ca 0.23 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1tly s TYR 265 Cb -0.01 -0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.76 1tly s TYR 265 CO 0.10 -0.17 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.67 1tly s LEU 266 N -0.95 2.36 -0.09 -1.29 1.43 0.23 -0.82 118.68 119.56 1tly s LEU 266 Ca -0.10 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1tly s LEU 266 Cb -0.06 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1tly s LEU 266 CO 0.00 0.19 -0.03 -0.69 0.23 0.00 0.00 176.35 176.05 1tly s VAL 267 N 0.19 0.66 -0.13 -1.59 1.01 -0.32 -1.34 120.40 118.88 1tly s VAL 267 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1tly s VAL 267 Cb -0.16 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1tly s VAL 267 CO 0.06 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.58 1tly s VAL 268 N 1.83 1.87 0.20 2.92 1.01 -0.84 -0.68 120.40 126.70 1tly s VAL 268 Ca 0.05 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1tly s VAL 268 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1tly s VAL 268 CO -0.06 0.51 0.26 0.61 0.00 0.00 0.00 175.10 176.42 1tly n GLY 269 N 4.14 2.69 2.78 4.51 0.00 -0.98 0.20 105.19 118.54 1tly n GLY 269 Ca -0.20 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.64 0.55 -0.21 1.61 5.04 0.39 -2.35 117.35 118.73 1tly s TYR 270 Ca 0.18 -0.10 -0.19 0.00 -2.44 0.00 0.00 57.07 54.52 1tly s TYR 270 Cb -0.00 -0.68 -0.03 0.00 0.35 0.00 0.00 41.96 41.60 1tly s TYR 270 CO 0.13 -0.26 0.53 -0.80 -1.34 0.00 0.00 175.55 173.81 1tly s ASN 271 N 1.68 6.56 0.32 4.32 0.01 0.12 -2.00 114.94 125.96 1tly s ASN 271 Ca 0.00 0.67 -0.19 0.00 -0.71 0.00 0.00 52.86 52.63 1tly s ASN 271 Cb -0.13 -2.30 -0.09 0.00 0.41 0.00 0.00 41.25 39.14 1tly s ASN 271 CO -0.04 -0.21 0.82 -0.36 -1.51 0.00 0.00 177.10 175.80 1tly s PHE 272 N 1.78 3.48 0.00 2.20 0.40 -0.67 -4.66 117.98 120.52 1tly s PHE 272 Ca 0.24 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 1tly s PHE 272 Cb -0.15 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.68 1tly s PHE 272 CO 0.10 0.13 0.00 -2.39 0.70 0.00 0.00 175.22 173.75 1tly n HIS 273 N -0.00 0.00 -1.54 0.36 1.44 -1.26 -4.34 115.22 109.88 1tly n HIS 273 Ca 0.03 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.41 1tly n HIS 273 Cb 0.52 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.71 1tly n HIS 273 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1tly s HIS 274 N 0.00 2.42 -2.00 -1.40 3.76 -1.26 -5.14 115.29 111.68 1tly s HIS 274 Ca 0.00 1.58 0.24 0.00 -0.15 0.00 0.00 55.06 56.73 1tly s HIS 274 Cb 0.00 -3.23 1.46 0.00 1.11 0.00 0.00 32.58 31.92 1tly s HIS 274 CO 0.00 -1.98 1.82 1.58 -0.85 0.00 0.00 174.74 175.31