#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypp s TYR 2 N 0.00 3.23 0.06 -1.42 2.02 -1.25 0.03 117.35 120.02 1ypp s TYR 2 Ca 0.00 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1ypp s TYR 2 Cb 0.00 -2.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 1ypp s TYR 2 CO 0.00 -0.25 0.03 0.25 -1.57 0.00 0.00 175.55 174.00 1ypp n THR 3 N 5.12 0.00 -4.16 -0.71 -2.24 -0.61 -4.82 114.28 106.86 1ypp n THR 3 Ca -0.11 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1ypp n THR 3 Cb 0.51 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.38 1ypp n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ypp s THR 4 N -0.74 0.42 -0.31 4.28 -4.23 -1.26 -1.98 115.64 111.83 1ypp s THR 4 Ca 0.02 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1ypp s THR 4 Cb -0.00 -0.37 0.06 0.00 1.34 0.00 0.00 72.50 73.53 1ypp s THR 4 CO 0.01 0.12 0.00 -0.60 -0.54 0.00 0.00 174.62 173.62 1ypp s ARG 5 N -0.06 2.31 -0.04 3.99 3.52 0.57 -4.93 118.95 124.31 1ypp s ARG 5 Ca 0.01 -1.37 -0.18 0.00 -0.13 0.00 0.00 55.73 54.07 1ypp s ARG 5 Cb -0.03 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1ypp s ARG 5 CO -0.00 -0.67 0.50 -1.14 -0.81 0.00 0.00 175.30 173.18 1ypp s GLN 6 N 1.20 4.21 -0.09 5.12 0.74 -1.26 -1.11 119.66 128.47 1ypp s GLN 6 Ca -0.04 0.55 0.04 0.00 0.05 0.00 0.00 55.36 55.96 1ypp s GLN 6 Cb -0.20 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 1ypp s GLN 6 CO -0.02 0.41 -0.23 0.42 -0.55 0.00 0.00 175.29 175.31 1ypp s ILE 7 N -0.23 2.19 0.02 -2.34 1.01 -0.23 -1.00 121.20 120.62 1ypp s ILE 7 Ca 0.27 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1ypp s ILE 7 Cb -0.17 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1ypp s ILE 7 CO 0.14 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1ypp n GLY 8 N 3.33 -1.63 3.86 6.18 0.00 0.25 -2.25 105.19 114.93 1ypp n GLY 8 Ca -0.18 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1ypp n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypp s ALA 9 N -1.49 3.83 0.65 4.61 0.00 -1.26 -1.88 121.76 126.21 1ypp s ALA 9 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 1ypp s ALA 9 Cb 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 1ypp s ALA 9 CO 0.00 0.78 1.29 0.21 0.00 0.00 0.00 175.76 178.04 1ypp s LYS 10 N -2.30 2.56 -1.44 0.00 2.20 -1.26 -2.56 119.74 116.93 1ypp s LYS 10 Ca 0.31 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1ypp s LYS 10 Cb -0.13 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 1ypp s LYS 10 CO 0.23 -1.59 0.00 0.09 -0.36 0.00 0.00 175.35 173.73 1ypp n ASN 11 N -1.91 -4.91 -4.85 1.43 3.02 -1.26 -1.51 115.26 105.26 1ypp n ASN 11 Ca 0.16 0.34 -0.27 0.00 -0.03 0.00 0.00 54.58 54.77 1ypp n ASN 11 Cb 0.48 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 1ypp n ASN 11 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ypp s THR 12 N -2.41 1.67 -0.04 3.41 -4.23 -1.06 -4.88 115.64 108.09 1ypp s THR 12 Ca 0.00 -1.61 0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1ypp s THR 12 Cb 0.00 -2.28 -0.18 0.00 1.34 0.00 0.00 72.50 71.38 1ypp s THR 12 CO 0.00 0.00 0.89 0.25 -0.54 0.00 0.00 174.62 175.22 1ypp h LEU 13 N 0.96 0.00 -0.51 4.79 5.85 -1.94 -3.34 115.31 121.12 1ypp h LEU 13 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1ypp h LEU 13 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1ypp h LEU 13 CO 0.62 0.85 0.00 -1.84 -0.34 0.00 0.00 178.44 177.73 1ypp n GLU 14 N -3.08 1.34 -2.69 1.25 0.28 -1.26 -4.87 120.64 111.61 1ypp n GLU 14 Ca -0.10 -0.51 -0.42 0.00 -0.16 0.00 0.00 57.16 55.97 1ypp n GLU 14 Cb 0.95 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 32.44 1ypp n GLU 14 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1ypp s TYR 15 N -1.91 3.52 -0.01 -1.84 5.04 -1.25 -4.15 117.35 116.75 1ypp s TYR 15 Ca 0.31 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.55 1ypp s TYR 15 Cb 0.16 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.29 1ypp s TYR 15 CO 0.25 -0.21 -0.03 0.15 -1.34 0.00 0.00 175.55 174.36 1ypp s LYS 16 N 1.95 0.33 -0.26 4.97 -0.14 -0.96 -4.41 119.74 121.23 1ypp s LYS 16 Ca 0.48 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.01 1ypp s LYS 16 Cb -0.18 -0.36 0.04 0.00 -1.68 0.00 0.00 37.83 35.65 1ypp s LYS 16 CO 0.18 0.03 -0.08 0.08 -0.76 0.00 0.00 175.35 174.80 1ypp s VAL 17 N 0.18 2.57 0.14 3.17 1.01 0.57 -1.07 120.40 126.98 1ypp s VAL 17 Ca -0.02 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 1ypp s VAL 17 Cb -0.05 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 1ypp s VAL 17 CO -0.00 0.10 0.45 -0.31 0.00 0.00 0.00 175.10 175.33 1ypp s TYR 18 N 1.23 3.51 -0.12 5.22 2.02 -0.27 -1.17 117.35 127.78 1ypp s TYR 18 Ca -0.03 0.77 -0.09 0.00 -0.37 0.00 0.00 57.07 57.35 1ypp s TYR 18 Cb -0.18 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1ypp s TYR 18 CO -0.05 0.42 0.18 0.42 -1.57 0.00 0.00 175.55 174.95 1ypp s ILE 19 N -1.59 5.43 -0.05 2.71 1.01 -1.26 -0.31 121.20 127.13 1ypp s ILE 19 Ca 0.40 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.40 1ypp s ILE 19 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1ypp s ILE 19 CO 0.21 0.59 -0.20 -1.61 0.00 0.00 0.00 174.94 173.92 1ypp s GLU 20 N -0.83 2.47 -0.37 2.79 2.02 -0.84 -1.49 118.70 122.46 1ypp s GLU 20 Ca 0.15 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 1ypp s GLU 20 Cb -0.13 -2.24 0.09 0.00 0.10 0.00 0.00 34.13 31.95 1ypp s GLU 20 CO 0.05 0.51 0.12 0.21 0.02 0.00 0.00 175.26 176.16 1ypp s LYS 21 N -0.46 2.01 -1.16 1.61 2.20 -0.70 -1.58 119.74 121.66 1ypp s LYS 21 Ca 0.05 -1.69 -0.07 0.00 -0.36 0.00 0.00 55.97 53.90 1ypp s LYS 21 Cb -0.12 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1ypp s LYS 21 CO 0.01 -0.93 1.01 -0.25 -0.36 0.00 0.00 175.35 174.84 1ypp n ASP 22 N 4.53 -5.58 0.00 1.43 8.00 0.10 -2.47 116.55 122.58 1ypp n ASP 22 Ca -0.04 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1ypp n ASP 22 Cb 0.42 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 1ypp n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ypp n GLY 23 N -1.77 0.68 3.12 0.44 0.00 -1.26 -5.03 105.19 101.36 1ypp n GLY 23 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1ypp n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypp s LYS 24 N -0.05 2.91 0.22 1.61 1.02 -1.03 -5.05 119.74 119.37 1ypp s LYS 24 Ca 0.00 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 1ypp s LYS 24 Cb 0.00 -2.61 -0.14 0.00 -0.52 0.00 0.00 37.83 34.56 1ypp s LYS 24 CO 0.00 -0.25 1.29 -2.30 -0.92 0.00 0.00 175.35 173.17 1ypp n PRO 25 N 4.60 1.68 -4.29 -1.68 -0.02 -1.26 -1.73 135.00 132.31 1ypp n PRO 25 Ca -0.20 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1ypp n PRO 25 Cb 0.49 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1ypp n PRO 25 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ypp s VAL 26 N -0.20 0.79 -0.20 -1.45 -7.23 -0.56 -4.55 120.40 107.00 1ypp s VAL 26 Ca 0.69 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 1ypp s VAL 26 Cb -0.72 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1ypp s VAL 26 CO 0.52 -0.35 1.73 -0.55 -0.31 0.00 0.00 175.10 176.14 1ypp s SER 27 N -3.24 6.25 0.33 4.85 0.15 -1.26 -4.42 113.70 116.36 1ypp s SER 27 Ca 0.28 1.74 0.18 0.00 0.70 0.00 0.00 55.95 58.84 1ypp s SER 27 Cb 0.06 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.82 1ypp s SER 27 CO 0.07 -1.35 1.50 0.00 1.20 0.00 0.00 173.24 174.66 1ypp n ALA 28 N 8.84 0.83 -0.12 5.45 0.00 -1.07 -2.41 120.51 132.02 1ypp n ALA 28 Ca 0.20 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.60 1ypp n ALA 28 Cb 0.45 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 1ypp n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ypp n PHE 29 N -2.18 0.00 -0.09 0.00 7.35 -1.26 -4.70 117.46 116.57 1ypp n PHE 29 Ca -0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.58 1ypp n PHE 29 Cb 0.18 -0.89 -0.16 0.00 0.35 0.00 0.00 39.48 38.96 1ypp n PHE 29 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1ypp n HIS 30 N -3.63 0.08 0.76 -5.13 -0.00 -1.13 0.70 115.22 106.87 1ypp n HIS 30 Ca -0.45 0.03 0.11 0.00 -0.00 0.00 0.00 57.72 57.41 1ypp n HIS 30 Cb 0.89 -1.02 0.28 0.00 -0.00 0.00 0.00 29.99 30.15 1ypp n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ypp n ASP 31 N -2.78 2.60 -4.25 0.41 8.00 -1.01 -4.74 116.55 114.77 1ypp n ASP 31 Ca -0.32 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 52.96 1ypp n ASP 31 Cb 1.15 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.93 1ypp n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ypp s ILE 32 N -1.64 3.24 0.20 0.53 1.01 -1.26 -4.90 121.20 118.38 1ypp s ILE 32 Ca 0.35 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.80 1ypp s ILE 32 Cb 0.20 -2.64 -0.13 0.00 0.01 0.00 0.00 42.46 39.90 1ypp s ILE 32 CO 0.29 0.19 1.53 -0.81 0.00 0.00 0.00 174.94 176.14 1ypp n PRO 33 N 4.74 2.18 -0.29 2.79 -0.04 -1.26 -4.21 135.00 138.91 1ypp n PRO 33 Ca -0.16 0.78 0.04 0.00 -0.04 0.00 0.00 63.50 64.12 1ypp n PRO 33 Cb 0.48 -2.52 0.18 0.00 -0.04 0.00 0.00 33.50 31.60 1ypp n PRO 33 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ypp h LEU 34 N 5.35 0.60 -9.64 1.53 5.85 -1.90 -3.39 115.31 113.71 1ypp h LEU 34 Ca -0.45 0.06 -0.66 0.00 0.84 0.00 0.00 57.88 57.67 1ypp h LEU 34 Cb 1.26 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 1ypp h LEU 34 CO 0.84 0.32 -0.45 -0.31 -0.34 0.00 0.00 178.44 178.50 1ypp s TYR 35 N -6.01 3.61 -0.20 1.25 2.02 -1.26 -2.27 117.35 114.49 1ypp s TYR 35 Ca -0.12 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1ypp s TYR 35 Cb 0.20 -1.98 -0.21 0.00 -0.40 0.00 0.00 41.96 39.57 1ypp s TYR 35 CO 0.78 0.73 0.05 0.00 -1.57 0.00 0.00 175.55 175.53 1ypp n ALA 36 N 1.98 1.27 -3.38 3.71 0.00 0.59 -4.73 120.51 119.95 1ypp n ALA 36 Ca -0.19 -0.94 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 1ypp n ALA 36 Cb 0.55 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 1ypp n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ypp s ASP 37 N -6.57 1.43 0.06 0.00 -1.08 -0.68 -5.02 116.67 104.81 1ypp s ASP 37 Ca -0.27 -1.51 -0.15 0.00 -0.52 0.00 0.00 52.55 50.10 1ypp s ASP 37 Cb 0.08 0.46 -0.05 0.00 -1.46 0.00 0.00 42.92 41.94 1ypp s ASP 37 CO 0.69 -0.29 1.25 0.50 0.52 0.00 0.00 175.17 177.85 1ypp h LYS 38 N 7.25 -0.17 0.00 4.34 3.64 -1.86 -1.75 116.57 128.02 1ypp h LYS 38 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ypp h LYS 38 Cb 1.05 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1ypp h LYS 38 CO 0.23 -0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.68 1ypp n GLU 39 N -3.95 0.04 -0.04 1.90 -0.58 -1.26 -0.81 120.64 115.94 1ypp n GLU 39 Ca -0.02 0.31 0.09 0.00 -0.42 0.00 0.00 57.16 57.13 1ypp n GLU 39 Cb 0.16 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.63 1ypp n GLU 39 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ypp n ASN 40 N -1.43 2.67 -3.50 1.62 3.02 -0.77 -5.01 115.26 111.87 1ypp n ASN 40 Ca 0.03 -1.80 -0.19 0.00 -0.03 0.00 0.00 54.58 52.59 1ypp n ASN 40 Cb 0.08 -0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1ypp n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ypp n ASN 41 N 1.06 -2.67 -4.10 6.41 5.03 0.01 -5.00 115.26 116.00 1ypp n ASN 41 Ca 0.12 -0.72 -0.33 0.00 0.87 0.00 0.00 54.58 54.53 1ypp n ASN 41 Cb 0.47 -4.73 -0.15 0.00 -1.02 0.00 0.00 39.78 34.36 1ypp n ASN 41 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ypp s ILE 42 N -3.47 2.35 0.31 2.41 1.01 -1.08 -4.12 121.20 118.61 1ypp s ILE 42 Ca 0.10 -1.46 0.08 0.00 0.00 0.00 0.00 60.65 59.36 1ypp s ILE 42 Cb -0.02 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1ypp s ILE 42 CO 0.76 0.05 0.19 -0.36 0.00 0.00 0.00 174.94 175.58 1ypp s PHE 43 N 1.17 2.86 -0.51 3.97 0.40 0.57 0.22 117.98 126.65 1ypp s PHE 43 Ca -0.06 -0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 1ypp s PHE 43 Cb -0.19 -1.60 0.07 0.00 0.51 0.00 0.00 43.02 41.82 1ypp s PHE 43 CO -0.05 0.35 0.58 -0.80 0.70 0.00 0.00 175.22 175.99 1ypp s ASN 44 N -3.88 6.20 -0.06 1.36 0.01 -0.96 -0.11 114.94 117.50 1ypp s ASN 44 Ca 0.37 -1.13 -0.22 0.00 -0.71 0.00 0.00 52.86 51.17 1ypp s ASN 44 Cb -0.05 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1ypp s ASN 44 CO 0.24 -0.86 0.65 -0.32 -1.51 0.00 0.00 177.10 175.29 1ypp s MET 45 N 2.35 4.40 -0.17 -0.60 -2.45 -0.41 -4.11 119.30 118.31 1ypp s MET 45 Ca 0.11 0.79 -0.19 0.00 -1.25 0.00 0.00 55.69 55.16 1ypp s MET 45 Cb -0.22 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.41 1ypp s MET 45 CO 0.09 0.15 0.53 0.08 1.05 0.00 0.00 175.02 176.92 1ypp s VAL 46 N 0.54 5.11 -0.14 10.11 1.01 0.90 -1.78 120.40 136.15 1ypp s VAL 46 Ca 0.34 1.00 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 1ypp s VAL 46 Cb -0.18 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ypp s VAL 46 CO 0.17 0.21 0.60 -0.69 0.00 0.00 0.00 175.10 175.39 1ypp s VAL 47 N 1.38 5.08 -0.24 2.92 1.01 -0.21 -2.13 120.40 128.20 1ypp s VAL 47 Ca 0.26 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 1ypp s VAL 47 Cb -0.15 -3.93 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 1ypp s VAL 47 CO 0.10 0.21 -0.26 -0.62 0.00 0.00 0.00 175.10 174.53 1ypp n GLU 48 N 4.31 0.57 -3.86 2.72 1.02 0.18 0.01 120.64 125.59 1ypp n GLU 48 Ca -0.03 0.18 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 1ypp n GLU 48 Cb 0.51 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 30.32 1ypp n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ypp s ILE 49 N -2.47 1.00 0.93 -3.67 1.01 -0.23 -4.55 121.20 113.22 1ypp s ILE 49 Ca -0.33 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1ypp s ILE 49 Cb 0.10 -1.27 0.09 0.00 0.01 0.00 0.00 42.46 41.39 1ypp s ILE 49 CO 0.50 0.01 0.76 -2.65 0.00 0.00 0.00 174.94 173.56 1ypp n PRO 50 N 4.90 -0.37 -1.86 2.79 -0.02 -1.26 -0.56 135.00 138.62 1ypp n PRO 50 Ca -0.11 -0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1ypp n PRO 50 Cb 0.47 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1ypp n PRO 50 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ypp s ARG 51 N -4.10 3.03 -1.48 -0.52 3.52 -1.26 -3.94 118.95 114.19 1ypp s ARG 51 Ca 0.62 1.26 -0.07 0.00 -0.13 0.00 0.00 55.73 57.41 1ypp s ARG 51 Cb -0.22 -1.99 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 1ypp s ARG 51 CO 0.63 -1.05 0.70 0.91 -0.81 0.00 0.00 175.30 175.68 1ypp n TRP 52 N -2.34 -2.10 -4.42 5.12 8.01 0.31 -4.89 117.44 117.13 1ypp n TRP 52 Ca 0.09 0.61 -0.21 0.00 -1.31 0.00 0.00 57.50 56.69 1ypp n TRP 52 Cb 0.53 -4.24 -0.10 0.00 -2.01 0.00 0.00 31.31 25.48 1ypp n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1ypp s THR 53 N -3.16 1.75 0.00 -0.99 -4.23 -1.25 -4.78 115.64 102.98 1ypp s THR 53 Ca 0.39 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1ypp s THR 53 Cb -0.18 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1ypp s THR 53 CO 0.48 -0.35 0.00 0.59 -0.54 0.00 0.00 174.62 174.80 1ypp n ASN 54 N -0.56 4.26 -4.72 3.99 4.13 -1.26 -0.37 115.26 120.73 1ypp n ASN 54 Ca -0.06 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.78 1ypp n ASN 54 Cb 0.63 0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 39.39 1ypp n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ypp s ALA 55 N -1.81 3.86 -1.12 5.41 0.00 -1.26 -0.97 121.76 125.86 1ypp s ALA 55 Ca 0.00 1.52 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 1ypp s ALA 55 Cb 0.00 -3.67 0.13 0.00 0.00 0.00 0.00 23.12 19.59 1ypp s ALA 55 CO 0.00 -0.89 1.39 0.21 0.00 0.00 0.00 175.76 176.47 1ypp s LYS 56 N 0.87 3.89 0.06 0.00 2.36 -1.14 -4.89 119.74 120.89 1ypp s LYS 56 Ca 0.71 -2.13 -0.20 0.00 -2.55 0.00 0.00 55.97 51.80 1ypp s LYS 56 Cb -0.48 -5.12 -0.06 0.00 -1.05 0.00 0.00 37.83 31.12 1ypp s LYS 56 CO 0.34 -1.88 0.60 -0.51 1.55 0.00 0.00 175.35 175.45 1ypp s LEU 57 N 2.60 4.50 0.00 5.43 1.02 -1.26 -1.03 118.68 129.94 1ypp s LEU 57 Ca 0.42 1.27 -0.03 0.00 0.02 0.00 0.00 54.13 55.80 1ypp s LEU 57 Cb -0.02 -2.95 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 1ypp s LEU 57 CO -0.02 0.21 0.05 -1.61 0.02 0.00 0.00 176.35 175.00 1ypp s GLU 58 N -0.81 0.32 -0.05 1.70 2.02 -0.10 -4.63 118.70 117.15 1ypp s GLU 58 Ca 0.30 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 1ypp s GLU 58 Cb -0.19 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.12 1ypp s GLU 58 CO 0.19 -0.06 1.49 0.42 0.02 0.00 0.00 175.26 177.32 1ypp s ILE 59 N -1.11 3.75 -0.50 -1.63 1.01 -1.26 -1.40 121.20 120.06 1ypp s ILE 59 Ca -0.12 1.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.26 1ypp s ILE 59 Cb -0.07 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1ypp s ILE 59 CO 0.00 -0.06 1.01 0.28 0.00 0.00 0.00 174.94 176.18 1ypp s THR 60 N 3.33 4.33 0.52 2.92 -1.32 0.13 -4.92 115.64 120.63 1ypp s THR 60 Ca 0.66 0.80 0.17 0.00 -1.21 0.00 0.00 61.69 62.11 1ypp s THR 60 Cb -0.30 -4.53 0.27 0.00 -1.51 0.00 0.00 72.50 66.42 1ypp s THR 60 CO 0.25 -0.99 2.15 0.11 -2.21 0.00 0.00 174.62 173.93 1ypp h LYS 61 N 9.22 0.00 -0.04 7.08 1.57 -1.89 -3.23 116.57 129.28 1ypp h LYS 61 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1ypp h LYS 61 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ypp h LYS 61 CO 1.08 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 180.36 1ypp n GLU 62 N -4.48 1.73 -4.80 3.15 4.71 -1.26 0.19 120.64 119.87 1ypp n GLU 62 Ca -0.03 -1.06 -0.32 0.00 -0.01 0.00 0.00 57.16 55.74 1ypp n GLU 62 Cb 0.10 -1.47 -0.13 0.00 -1.01 0.00 0.00 31.44 28.93 1ypp n GLU 62 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1ypp s GLU 63 N -1.97 2.32 0.19 3.49 2.02 -1.22 -4.70 118.70 118.83 1ypp s GLU 63 Ca 0.37 -0.82 -0.33 0.00 0.02 0.00 0.00 54.97 54.21 1ypp s GLU 63 Cb 0.21 -2.29 -0.14 0.00 0.10 0.00 0.00 34.13 32.01 1ypp s GLU 63 CO 0.32 0.59 1.52 2.41 0.02 0.00 0.00 175.26 180.13 1ypp n THR 64 N 1.98 0.29 -1.00 3.63 -1.04 -1.26 -0.60 114.28 116.28 1ypp n THR 64 Ca -0.16 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1ypp n THR 64 Cb 0.52 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1ypp n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ypp n LEU 65 N 3.01 0.53 -3.88 -4.42 4.77 -1.26 -4.30 117.00 111.45 1ypp n LEU 65 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 1ypp n LEU 65 Cb 0.29 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 39.83 1ypp n LEU 65 CO 0.63 -0.53 -0.17 0.59 -1.33 0.00 0.00 177.39 176.58 1ypp n ASN 66 N -0.53 -3.59 -4.68 -1.43 4.13 0.23 -2.61 115.26 106.78 1ypp n ASN 66 Ca 0.00 -1.00 -0.31 0.00 1.68 0.00 0.00 54.58 54.96 1ypp n ASN 66 Cb 0.27 -1.31 0.16 0.00 -1.54 0.00 0.00 39.78 37.35 1ypp n ASN 66 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ypp s PRO 67 N -6.17 1.09 -0.34 3.52 0.04 -1.26 -3.99 135.00 127.89 1ypp s PRO 67 Ca 0.27 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 1ypp s PRO 67 Cb -0.15 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1ypp s PRO 67 CO 0.79 -2.52 0.56 0.42 0.04 0.00 0.00 177.00 176.29 1ypp s ILE 68 N -2.70 4.98 0.41 0.56 1.01 -0.32 0.19 121.20 125.34 1ypp s ILE 68 Ca 0.66 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.86 1ypp s ILE 68 Cb -0.21 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1ypp s ILE 68 CO 0.58 -0.20 0.06 0.27 0.00 0.00 0.00 174.94 175.65 1ypp s ILE 69 N 2.49 1.10 -0.06 2.92 -4.36 -0.49 -0.32 121.20 122.48 1ypp s ILE 69 Ca 0.21 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.40 1ypp s ILE 69 Cb -0.15 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1ypp s ILE 69 CO 0.13 0.00 0.58 -1.58 0.24 0.00 0.00 174.94 174.32 1ypp s GLN 70 N -3.80 4.35 0.74 0.37 0.74 -1.26 -0.93 119.66 119.87 1ypp s GLN 70 Ca 0.24 0.68 -0.13 0.00 0.05 0.00 0.00 55.36 56.20 1ypp s GLN 70 Cb 0.05 -3.40 0.05 0.00 1.10 0.00 0.00 33.01 30.81 1ypp s GLN 70 CO 0.12 0.23 1.13 0.34 -0.55 0.00 0.00 175.29 176.55 1ypp s ASP 71 N 0.32 4.45 -0.06 6.67 2.15 -0.20 -4.84 116.67 125.16 1ypp s ASP 71 Ca 0.31 2.03 0.05 0.00 0.43 0.00 0.00 52.55 55.38 1ypp s ASP 71 Cb -0.17 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 1ypp s ASP 71 CO 0.15 -2.08 -0.22 -0.89 -0.17 0.00 0.00 175.17 171.96 1ypp s THR 72 N -2.50 1.87 -0.17 1.71 2.01 -1.26 0.15 115.64 117.44 1ypp s THR 72 Ca 0.66 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1ypp s THR 72 Cb -0.21 -1.60 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1ypp s THR 72 CO 0.49 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.90 1ypp s ALA 73 N 0.01 1.47 -1.14 7.40 0.00 0.17 -4.84 121.76 124.82 1ypp s ALA 73 Ca -0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 1ypp s ALA 73 Cb -0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1ypp s ALA 73 CO 0.04 -0.86 0.80 1.63 0.00 0.00 0.00 175.76 177.37 1ypp n LYS 74 N 4.88 -1.93 -0.32 0.00 5.02 -1.26 -1.94 118.16 122.61 1ypp n LYS 74 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1ypp n LYS 74 Cb 0.47 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.84 1ypp n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ypp n GLY 75 N -1.58 1.11 3.58 0.72 0.00 -1.26 -4.98 105.19 102.77 1ypp n GLY 75 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ypp n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypp s LYS 76 N -0.21 2.12 0.19 1.61 1.02 -0.82 -5.09 119.74 118.57 1ypp s LYS 76 Ca 0.00 -1.04 -0.32 0.00 0.02 0.00 0.00 55.97 54.63 1ypp s LYS 76 Cb 0.00 -2.30 -0.12 0.00 -0.52 0.00 0.00 37.83 34.90 1ypp s LYS 76 CO 0.00 0.50 1.74 1.28 -0.92 0.00 0.00 175.35 177.96 1ypp n LEU 77 N 0.66 4.01 -4.81 3.17 4.77 -1.26 0.43 117.00 123.97 1ypp n LEU 77 Ca -0.13 1.05 -0.38 0.00 -0.03 0.00 0.00 56.01 56.51 1ypp n LEU 77 Cb 0.52 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 1ypp n LEU 77 CO 0.33 0.18 0.27 -0.60 -1.33 0.00 0.00 177.39 176.24 1ypp s ARG 78 N 1.43 4.19 -0.08 3.23 3.52 0.12 -4.72 118.95 126.64 1ypp s ARG 78 Ca 0.76 0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 57.05 1ypp s ARG 78 Cb -0.50 -3.22 0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1ypp s ARG 78 CO 0.33 0.63 0.17 -0.06 -0.81 0.00 0.00 175.30 175.56 1ypp s PHE 79 N -1.13 -0.21 0.27 5.12 0.08 -1.26 -2.87 117.98 117.99 1ypp s PHE 79 Ca 0.29 0.56 -0.19 0.00 0.12 0.00 0.00 56.93 57.71 1ypp s PHE 79 Cb -0.19 -0.05 -0.09 0.00 -0.57 0.00 0.00 43.02 42.12 1ypp s PHE 79 CO 0.19 -0.18 0.76 0.08 -0.10 0.00 0.00 175.22 175.97 1ypp s VAL 80 N 1.16 4.55 0.27 -0.44 1.01 -0.15 -4.92 120.40 121.88 1ypp s VAL 80 Ca -0.09 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 1ypp s VAL 80 Cb -0.11 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1ypp s VAL 80 CO -0.06 0.07 0.59 -0.13 0.00 0.00 0.00 175.10 175.56 1ypp s ARG 81 N -2.31 3.76 -0.31 2.72 1.81 -1.26 -4.75 118.95 118.60 1ypp s ARG 81 Ca 0.48 0.24 -0.29 0.00 -1.72 0.00 0.00 55.73 54.44 1ypp s ARG 81 Cb -0.15 -2.61 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 1ypp s ARG 81 CO 0.20 0.24 1.31 -0.80 -0.68 0.00 0.00 175.30 175.57 1ypp s ASN 82 N -2.67 6.64 -0.49 0.23 0.01 -1.25 -4.74 114.94 112.66 1ypp s ASN 82 Ca 0.47 1.16 -0.04 0.00 -0.71 0.00 0.00 52.86 53.74 1ypp s ASN 82 Cb -0.11 -2.54 0.13 0.00 0.41 0.00 0.00 41.25 39.14 1ypp s ASN 82 CO 0.25 -1.12 0.31 0.00 -1.51 0.00 0.00 177.10 175.02 1ypp n PHE 84 N 4.26 -0.08 0.64 0.00 7.35 -0.80 -1.97 117.46 126.86 1ypp n PHE 84 Ca 0.01 0.64 0.03 0.00 -0.76 0.00 0.00 57.45 57.36 1ypp n PHE 84 Cb 0.40 -1.28 0.13 0.00 0.35 0.00 0.00 39.48 39.08 1ypp n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ypp n PRO 85 N 0.74 2.07 -3.16 -7.13 -0.04 -1.26 -4.72 135.00 121.50 1ypp n PRO 85 Ca 0.12 -1.01 -0.23 0.00 -0.04 0.00 0.00 63.50 62.34 1ypp n PRO 85 Cb 0.12 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1ypp n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ypp s HIS 86 N -1.62 3.37 -0.32 0.54 3.76 -0.83 -5.09 115.29 115.11 1ypp s HIS 86 Ca 0.18 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.39 1ypp s HIS 86 Cb 0.12 -2.10 0.10 0.00 1.11 0.00 0.00 32.58 31.81 1ypp s HIS 86 CO 0.07 -0.12 0.12 -1.58 -0.85 0.00 0.00 174.74 172.39 1ypp s HIS 87 N -2.44 1.46 0.00 1.40 2.46 -1.26 -3.83 115.29 113.08 1ypp s HIS 87 Ca 0.44 -1.65 0.00 0.00 0.47 0.00 0.00 55.06 54.33 1ypp s HIS 87 Cb -0.10 -1.56 0.00 0.00 -0.13 0.00 0.00 32.58 30.79 1ypp s HIS 87 CO 0.37 -0.86 0.00 0.41 -2.47 0.00 0.00 174.74 172.19 1ypp n GLY 88 N 4.78 1.25 3.71 1.59 0.00 -1.26 -4.04 105.19 111.22 1ypp n GLY 88 Ca -0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1ypp n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypp s TYR 89 N 0.00 3.22 -1.88 1.61 2.02 0.50 -4.80 117.35 118.03 1ypp s TYR 89 Ca 0.00 0.95 0.08 0.00 -0.37 0.00 0.00 57.07 57.73 1ypp s TYR 89 Cb 0.00 -3.68 0.26 0.00 -0.40 0.00 0.00 41.96 38.14 1ypp s TYR 89 CO 0.00 -2.38 1.19 0.44 -1.57 0.00 0.00 175.55 173.22 1ypp n ILE 90 N 3.99 0.45 -3.75 2.71 -5.35 -1.26 0.11 119.36 116.26 1ypp n ILE 90 Ca 0.12 -0.40 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1ypp n ILE 90 Cb 0.42 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.37 1ypp n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1ypp s HIS 91 N -1.62 -0.20 0.28 4.28 3.76 -1.26 -4.93 115.29 115.60 1ypp s HIS 91 Ca 0.19 0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 55.11 1ypp s HIS 91 Cb 0.10 0.11 -0.10 0.00 1.11 0.00 0.00 32.58 33.81 1ypp s HIS 91 CO 0.12 -0.40 1.20 -0.80 -0.85 0.00 0.00 174.74 174.01 1ypp s ASN 92 N -1.34 7.04 -0.02 1.40 0.01 -0.97 -4.27 114.94 116.78 1ypp s ASN 92 Ca -0.13 2.43 0.05 0.00 -0.71 0.00 0.00 52.86 54.50 1ypp s ASN 92 Cb -0.05 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 1ypp s ASN 92 CO 0.04 -0.34 -0.17 -0.47 -1.51 0.00 0.00 177.10 174.65 1ypp s TYR 93 N -0.92 1.59 0.00 2.20 5.04 0.28 -1.95 117.35 123.59 1ypp s TYR 93 Ca 0.48 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1ypp s TYR 93 Cb -0.35 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 40.91 1ypp s TYR 93 CO 0.45 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.99 1ypp n GLY 94 N 2.83 2.56 3.37 8.97 0.00 -0.79 0.50 105.19 122.63 1ypp n GLY 94 Ca -0.16 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1ypp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypp s ALA 95 N -1.00 0.44 -0.17 4.61 0.00 -0.90 -1.28 121.76 123.45 1ypp s ALA 95 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 1ypp s ALA 95 Cb 0.00 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.24 1ypp s ALA 95 CO 0.00 -0.70 0.32 -0.06 0.00 0.00 0.00 175.76 175.33 1ypp s PHE 96 N -4.07 3.44 0.99 0.00 0.08 -1.08 -0.07 117.98 117.26 1ypp s PHE 96 Ca 0.29 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 57.82 1ypp s PHE 96 Cb 0.03 -2.40 0.18 0.00 -0.57 0.00 0.00 43.02 40.27 1ypp s PHE 96 CO 0.09 0.17 1.09 -1.25 -0.10 0.00 0.00 175.22 175.21 1ypp s PRO 97 N 0.71 0.50 -1.49 0.24 0.05 -1.26 -3.68 135.00 130.07 1ypp s PRO 97 Ca 0.17 1.01 -0.02 0.00 0.05 0.00 0.00 61.00 62.22 1ypp s PRO 97 Cb -0.14 -1.71 0.01 0.00 0.05 0.00 0.00 34.50 32.72 1ypp s PRO 97 CO 0.05 -2.81 0.16 1.04 0.05 0.00 0.00 177.00 175.49 1ypp n GLN 98 N -4.30 -2.60 -4.52 4.56 6.02 0.22 -4.36 117.38 112.39 1ypp n GLN 98 Ca 0.07 0.83 -0.24 0.00 -0.01 0.00 0.00 57.00 57.64 1ypp n GLN 98 Cb 0.54 -5.52 -0.11 0.00 1.02 0.00 0.00 30.24 26.18 1ypp n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ypp s THR 99 N -2.94 1.64 -0.30 5.09 -4.23 -1.24 -4.37 115.64 109.30 1ypp s THR 99 Ca 0.09 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1ypp s THR 99 Cb -0.04 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1ypp s THR 99 CO 0.11 -0.05 0.83 0.86 -0.54 0.00 0.00 174.62 175.83 1ypp s TRP 100 N -2.98 -0.99 -0.48 3.99 -0.00 -1.16 -4.08 118.94 113.24 1ypp s TRP 100 Ca 0.35 1.72 -0.25 0.00 -0.00 0.00 0.00 56.10 57.92 1ypp s TRP 100 Cb 0.08 0.60 0.03 0.00 -0.00 0.00 0.00 33.47 34.18 1ypp s TRP 100 CO 0.16 -0.49 0.90 -1.21 -0.00 0.00 0.00 176.95 176.31 1ypp s GLU 101 N 2.66 3.46 -0.15 5.86 0.41 0.86 -4.59 118.70 127.21 1ypp s GLU 101 Ca -0.04 0.00 -0.29 0.00 -0.41 0.00 0.00 54.97 54.23 1ypp s GLU 101 Cb -0.09 -3.96 -0.05 0.00 -1.78 0.00 0.00 34.13 28.25 1ypp s GLU 101 CO -0.18 -1.27 1.95 0.34 -0.49 0.00 0.00 175.26 175.61 1ypp s ASP 102 N 2.39 6.03 0.18 -0.19 -1.08 -1.26 -1.88 116.67 120.86 1ypp s ASP 102 Ca 0.34 2.01 -0.07 0.00 -0.52 0.00 0.00 52.55 54.31 1ypp s ASP 102 Cb -0.11 -2.52 0.07 0.00 -1.46 0.00 0.00 42.92 38.90 1ypp s ASP 102 CO 0.24 -1.48 1.55 1.55 0.52 0.00 0.00 175.17 177.55 1ypp h PRO 103 N 12.40 0.85 0.00 4.34 0.13 -1.92 0.73 132.00 148.54 1ypp h PRO 103 Ca -0.41 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1ypp h PRO 103 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ypp h PRO 103 CO 0.97 1.04 0.00 0.09 -0.23 0.00 0.00 178.00 179.87 1ypp n ASN 104 N -4.08 0.00 -3.75 1.44 3.02 -1.26 -4.22 115.26 106.41 1ypp n ASN 104 Ca -0.01 -1.21 -0.13 0.00 -0.03 0.00 0.00 54.58 53.20 1ypp n ASN 104 Cb 0.50 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.56 1ypp n ASN 104 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ypp s VAL 105 N -2.00 -0.00 -0.32 2.41 1.01 -1.24 -5.07 120.40 115.19 1ypp s VAL 105 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1ypp s VAL 105 Cb 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1ypp s VAL 105 CO 0.16 0.00 0.70 -0.55 0.00 0.00 0.00 175.10 175.41 1ypp s SER 106 N 0.20 6.55 0.16 3.32 0.15 -1.26 -3.69 113.70 119.13 1ypp s SER 106 Ca -0.00 0.47 -0.30 0.00 0.70 0.00 0.00 55.95 56.81 1ypp s SER 106 Cb -0.03 -2.36 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1ypp s SER 106 CO 0.00 -0.56 1.19 -1.00 1.20 0.00 0.00 173.24 174.07 1ypp s HIS 107 N 2.78 3.45 0.46 3.44 3.76 -0.92 -4.83 115.29 123.43 1ypp s HIS 107 Ca 0.28 1.42 0.21 0.00 -0.15 0.00 0.00 55.06 56.83 1ypp s HIS 107 Cb -0.14 -3.41 1.29 0.00 1.11 0.00 0.00 32.58 31.43 1ypp s HIS 107 CO 0.13 -1.14 2.06 -1.00 -0.85 0.00 0.00 174.74 173.94 1ypp h PRO 108 N 5.48 0.00 0.00 8.40 0.13 -1.96 -3.20 132.00 140.85 1ypp h PRO 108 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ypp h PRO 108 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ypp h PRO 108 CO 0.75 0.13 -0.03 0.93 -0.23 0.00 0.00 178.00 179.55 1ypp h GLU 109 N 0.00 0.00 -6.62 0.86 3.07 -1.97 -3.43 114.58 106.49 1ypp h GLU 109 Ca -0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.35 1ypp h GLU 109 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1ypp h GLU 109 CO 0.02 0.47 -0.06 0.95 -1.40 0.00 0.00 179.01 178.98 1ypp s THR 110 N -1.88 4.97 -0.95 1.13 -4.23 -1.26 -4.95 115.64 108.47 1ypp s THR 110 Ca -0.09 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1ypp s THR 110 Cb -0.01 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.38 1ypp s THR 110 CO 0.33 -0.46 1.58 0.29 -0.54 0.00 0.00 174.62 175.82 1ypp n LYS 111 N -1.28 4.82 -3.74 3.99 5.02 -1.26 -4.51 118.16 121.19 1ypp n LYS 111 Ca -0.01 -4.68 -0.10 0.00 -2.02 0.00 0.00 58.31 51.50 1ypp n LYS 111 Cb 0.54 -2.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.06 1ypp n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ypp s ALA 112 N -3.87 -0.61 0.87 7.82 0.00 -1.21 -4.87 121.76 119.89 1ypp s ALA 112 Ca 0.39 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 1ypp s ALA 112 Cb 0.18 0.54 0.12 0.00 0.00 0.00 0.00 23.12 23.96 1ypp s ALA 112 CO -0.09 -0.55 1.14 0.14 0.00 0.00 0.00 175.76 176.40 1ypp s VAL 113 N -3.59 2.40 0.79 0.00 -7.23 -1.26 -2.17 120.40 109.34 1ypp s VAL 113 Ca 0.02 0.13 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1ypp s VAL 113 Cb 0.03 -2.30 0.07 0.00 0.56 0.00 0.00 36.38 34.73 1ypp s VAL 113 CO -0.10 -0.17 1.09 -0.83 -0.31 0.00 0.00 175.10 174.78 1ypp s GLY 114 N -2.83 1.63 0.00 2.32 0.00 0.26 -0.67 107.32 108.03 1ypp s GLY 114 Ca 0.66 -0.16 0.14 0.00 0.00 0.00 0.00 44.72 45.35 1ypp s GLY 114 CO 0.57 0.26 1.38 2.09 0.00 0.00 0.00 173.10 177.40 1ypp n ASP 115 N -3.44 1.24 -2.78 1.64 5.75 -0.60 -3.95 116.55 114.42 1ypp n ASP 115 Ca 0.07 -1.82 -0.13 0.00 -0.01 0.00 0.00 54.79 52.91 1ypp n ASP 115 Cb 0.56 -0.12 0.07 0.00 -1.03 0.00 0.00 41.12 40.59 1ypp n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ypp n ASN 116 N 0.11 -2.33 -3.72 -1.12 5.15 -0.79 -4.99 115.26 107.58 1ypp n ASN 116 Ca 0.12 -0.45 -0.05 0.00 -0.60 0.00 0.00 54.58 53.59 1ypp n ASN 116 Cb 0.23 -3.88 -0.02 0.00 -0.53 0.00 0.00 39.78 35.58 1ypp n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ypp s ASP 117 N -3.92 -0.25 0.50 1.20 1.01 -1.25 -4.88 116.67 109.07 1ypp s ASP 117 Ca 0.04 -0.36 -0.21 0.00 0.71 0.00 0.00 52.55 52.73 1ypp s ASP 117 Cb -0.02 0.53 -0.09 0.00 1.01 0.00 0.00 42.92 44.36 1ypp s ASP 117 CO 0.53 -0.96 0.84 -2.65 0.21 0.00 0.00 175.17 173.14 1ypp n PRO 118 N -0.43 0.96 -1.64 8.23 -0.02 -1.26 -0.10 135.00 140.74 1ypp n PRO 118 Ca -0.07 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 1ypp n PRO 118 Cb 0.61 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.23 1ypp n PRO 118 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ypp s ILE 119 N -1.46 2.01 -0.06 4.25 2.07 -1.26 -4.73 121.20 122.02 1ypp s ILE 119 Ca 0.68 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.88 1ypp s ILE 119 Cb -0.50 -2.91 -0.04 0.00 0.13 0.00 0.00 42.46 39.14 1ypp s ILE 119 CO 0.54 -0.00 0.12 -1.81 -1.91 0.00 0.00 174.94 171.88 1ypp s ASP 120 N -1.49 6.12 -0.05 4.50 1.01 -1.23 -2.65 116.67 122.88 1ypp s ASP 120 Ca 0.82 0.34 0.05 0.00 0.71 0.00 0.00 52.55 54.46 1ypp s ASP 120 Cb -0.37 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1ypp s ASP 120 CO 0.41 0.34 -0.20 -0.69 0.21 0.00 0.00 175.17 175.25 1ypp s VAL 121 N -1.13 1.64 -0.51 -1.27 1.01 -0.40 0.63 120.40 120.38 1ypp s VAL 121 Ca 0.20 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1ypp s VAL 121 Cb -0.12 -1.40 0.12 0.00 0.00 0.00 0.00 36.38 34.98 1ypp s VAL 121 CO 0.10 0.47 0.42 -0.76 0.00 0.00 0.00 175.10 175.33 1ypp s LEU 122 N -0.01 5.95 -0.50 3.92 1.43 0.15 -1.88 118.68 127.74 1ypp s LEU 122 Ca -0.04 -1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 50.99 1ypp s LEU 122 Cb -0.12 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1ypp s LEU 122 CO 0.03 -0.78 0.81 -0.70 0.23 0.00 0.00 176.35 175.94 1ypp s GLU 123 N 1.48 3.31 -0.03 1.70 -6.30 -0.82 -0.93 118.70 117.11 1ypp s GLU 123 Ca 0.04 -0.34 0.04 0.00 -2.50 0.00 0.00 54.97 52.21 1ypp s GLU 123 Cb -0.28 -4.02 0.17 0.00 0.00 0.00 0.00 34.13 30.00 1ypp s GLU 123 CO 0.01 -1.28 0.92 0.44 0.02 0.00 0.00 175.26 175.37 1ypp n ILE 124 N 6.04 0.47 -0.85 -3.70 -5.35 -0.65 -2.28 119.36 113.04 1ypp n ILE 124 Ca 0.00 -0.28 -0.29 0.00 -0.27 0.00 0.00 62.75 61.91 1ypp n ILE 124 Cb 0.47 -0.22 0.22 0.00 -1.74 0.00 0.00 39.64 38.37 1ypp n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ypp s GLY 125 N -0.51 1.54 0.24 3.28 0.00 -1.26 -4.95 107.32 105.66 1ypp s GLY 125 Ca 0.12 -0.38 0.18 0.00 0.00 0.00 0.00 44.72 44.65 1ypp s GLY 125 CO 0.05 0.34 1.25 1.05 0.00 0.00 0.00 173.10 175.79 1ypp h GLU 126 N -2.39 0.00 -6.38 2.90 4.11 -1.99 -3.46 114.58 107.37 1ypp h GLU 126 Ca -0.57 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.32 1ypp h GLU 126 Cb 1.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 1ypp h GLU 126 CO 0.51 0.26 0.14 0.99 0.07 0.00 0.00 179.01 180.99 1ypp s THR 127 N -3.07 4.59 -0.04 -1.06 2.01 -1.26 -5.02 115.64 111.78 1ypp s THR 127 Ca 0.02 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 1ypp s THR 127 Cb 0.08 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1ypp s THR 127 CO 0.76 0.45 1.22 -0.63 -0.69 0.00 0.00 174.62 175.73 1ypp s ILE 128 N -0.63 4.19 0.64 1.82 1.01 -1.26 -4.94 121.20 122.04 1ypp s ILE 128 Ca 0.36 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 1ypp s ILE 128 Cb -0.21 -3.98 0.15 0.00 0.01 0.00 0.00 42.46 38.42 1ypp s ILE 128 CO 0.24 0.01 0.83 0.00 0.00 0.00 0.00 174.94 176.01 1ypp n ALA 129 N 5.13 -1.12 -2.41 9.38 0.00 -1.26 -4.95 120.51 125.28 1ypp n ALA 129 Ca 0.11 -1.09 -0.20 0.00 0.00 0.00 0.00 53.44 52.25 1ypp n ALA 129 Cb 0.46 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 1ypp n ALA 129 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ypp s TYR 130 N -2.77 1.80 0.05 0.00 1.13 -1.26 -4.46 117.35 111.84 1ypp s TYR 130 Ca 0.47 -0.50 -0.31 0.00 -1.41 0.00 0.00 57.07 55.33 1ypp s TYR 130 Cb -0.02 -0.86 -0.08 0.00 -1.10 0.00 0.00 41.96 39.91 1ypp s TYR 130 CO 0.34 0.37 1.61 0.99 -2.51 0.00 0.00 175.55 176.35 1ypp s THR 131 N -2.47 3.18 0.00 -3.49 2.01 -1.26 -2.96 115.64 110.66 1ypp s THR 131 Ca 0.19 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1ypp s THR 131 Cb -0.04 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1ypp s THR 131 CO 0.07 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1ypp n GLY 132 N 3.95 0.87 3.69 4.40 0.00 0.10 -5.00 105.19 113.21 1ypp n GLY 132 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ypp n GLY 132 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ypp n GLN 133 N -2.00 2.79 -3.37 1.61 7.27 -1.15 -4.72 117.38 117.80 1ypp n GLN 133 Ca 0.00 1.01 -0.39 0.00 0.07 0.00 0.00 57.00 57.70 1ypp n GLN 133 Cb 0.00 -2.91 -0.08 0.00 2.41 0.00 0.00 30.24 29.66 1ypp n GLN 133 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ypp s VAL 134 N 2.70 5.18 0.18 1.69 1.01 -1.26 -1.05 120.40 128.85 1ypp s VAL 134 Ca 0.82 0.67 0.09 0.00 0.00 0.00 0.00 61.98 63.56 1ypp s VAL 134 Cb -0.48 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ypp s VAL 134 CO 0.37 0.20 -0.18 -1.59 0.00 0.00 0.00 175.10 173.90 1ypp s LYS 135 N 1.69 1.33 -0.24 2.72 -2.85 -0.74 -4.97 119.74 116.69 1ypp s LYS 135 Ca 0.18 -1.46 -0.09 0.00 -1.00 0.00 0.00 55.97 53.59 1ypp s LYS 135 Cb -0.15 -1.37 -0.04 0.00 -2.06 0.00 0.00 37.83 34.20 1ypp s LYS 135 CO 0.09 0.27 0.12 -0.65 0.10 0.00 0.00 175.35 175.28 1ypp s GLN 136 N -2.94 3.93 0.34 1.78 1.11 -1.26 -1.29 119.66 121.33 1ypp s GLN 136 Ca 0.18 -0.34 0.03 0.00 0.01 0.00 0.00 55.36 55.24 1ypp s GLN 136 Cb -0.05 -3.44 -0.05 0.00 -1.01 0.00 0.00 33.01 28.46 1ypp s GLN 136 CO 0.07 0.01 0.09 0.14 0.01 0.00 0.00 175.29 175.62 1ypp s VAL 137 N 1.15 0.84 -0.13 1.09 -7.23 0.85 -1.31 120.40 115.66 1ypp s VAL 137 Ca 0.06 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1ypp s VAL 137 Cb -0.14 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1ypp s VAL 137 CO 0.05 0.00 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.17 1ypp s LYS 138 N -3.85 1.55 0.51 4.82 -2.85 -1.01 -0.31 119.74 118.60 1ypp s LYS 138 Ca 0.32 -0.34 -0.22 0.00 -1.00 0.00 0.00 55.97 54.72 1ypp s LYS 138 Cb 0.06 -1.73 -0.07 0.00 -2.06 0.00 0.00 37.83 34.03 1ypp s LYS 138 CO 0.15 -0.31 1.20 0.00 0.10 0.00 0.00 175.35 176.49 1ypp n ALA 139 N 4.91 1.00 0.00 0.59 0.00 -1.26 -3.35 120.51 122.41 1ypp n ALA 139 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ypp n ALA 139 Cb 0.49 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1ypp n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ypp n LEU 140 N -0.42 0.00 0.00 0.00 4.77 -0.69 -4.93 117.00 115.74 1ypp n LEU 140 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ypp n LEU 140 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ypp n LEU 140 CO 0.54 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1ypp n GLY 141 N 0.55 -0.39 3.19 -0.72 0.00 -1.23 -0.73 105.19 105.87 1ypp n GLY 141 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1ypp n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ypp s ILE 142 N -2.00 0.04 -0.02 -0.61 2.07 -0.50 -1.90 121.20 118.27 1ypp s ILE 142 Ca 0.00 -0.29 0.07 0.00 -1.41 0.00 0.00 60.65 59.01 1ypp s ILE 142 Cb 0.00 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 1ypp s ILE 142 CO 0.00 -0.16 -0.22 -0.04 -1.91 0.00 0.00 174.94 172.61 1ypp s MET 143 N -0.66 1.89 -1.03 3.50 -1.94 0.14 -0.90 119.30 120.29 1ypp s MET 143 Ca -0.08 -0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 52.95 1ypp s MET 143 Cb -0.04 -1.78 0.15 0.00 2.01 0.00 0.00 34.83 35.18 1ypp s MET 143 CO 0.02 0.45 1.22 0.00 -0.01 0.00 0.00 175.02 176.70 1ypp s ALA 144 N -0.43 3.69 -0.02 3.03 0.00 -1.26 -0.30 121.76 126.46 1ypp s ALA 144 Ca 0.06 -3.05 -0.19 0.00 0.00 0.00 0.00 51.96 48.77 1ypp s ALA 144 Cb -0.09 -4.04 -0.05 0.00 0.00 0.00 0.00 23.12 18.94 1ypp s ALA 144 CO -0.00 -2.84 0.55 -1.17 0.00 0.00 0.00 175.76 172.30 1ypp s LEU 145 N 2.02 4.41 -0.45 0.00 2.96 -1.19 -0.37 118.68 126.06 1ypp s LEU 145 Ca 0.36 1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 55.23 1ypp s LEU 145 Cb -0.04 -2.84 0.08 0.00 0.50 0.00 0.00 46.19 43.88 1ypp s LEU 145 CO -0.06 0.13 0.34 -0.76 -1.32 0.00 0.00 176.35 174.68 1ypp s LEU 146 N -0.23 5.46 -0.73 -0.68 1.43 -0.48 -1.87 118.68 121.57 1ypp s LEU 146 Ca 0.29 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1ypp s LEU 146 Cb -0.18 -2.10 0.15 0.00 0.03 0.00 0.00 46.19 44.10 1ypp s LEU 146 CO 0.16 -0.61 0.77 -0.62 0.23 0.00 0.00 176.35 176.28 1ypp s ASP 147 N 2.45 6.47 -1.09 2.29 2.15 -0.12 -3.27 116.67 125.55 1ypp s ASP 147 Ca 0.04 -2.05 -0.03 0.00 0.43 0.00 0.00 52.55 50.94 1ypp s ASP 147 Cb -0.24 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1ypp s ASP 147 CO 0.04 -0.87 0.93 -0.62 -0.17 0.00 0.00 175.17 174.48 1ypp n GLU 148 N 5.36 -4.23 -0.99 4.34 1.02 -1.26 -3.00 120.64 121.89 1ypp n GLU 148 Ca 0.04 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1ypp n GLU 148 Cb 0.45 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 1ypp n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ypp n GLY 149 N -1.18 0.14 3.54 0.62 0.00 -1.26 -4.99 105.19 102.06 1ypp n GLY 149 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1ypp n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ypp s GLU 150 N -1.42 1.98 -0.21 1.61 2.02 -1.16 -4.57 118.70 116.95 1ypp s GLU 150 Ca 0.00 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 1ypp s GLU 150 Cb 0.00 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 1ypp s GLU 150 CO 0.00 0.49 1.41 0.99 0.02 0.00 0.00 175.26 178.18 1ypp s THR 151 N -1.21 4.00 -0.42 3.63 2.01 0.16 -0.95 115.64 122.87 1ypp s THR 151 Ca 0.20 1.16 0.08 0.00 0.31 0.00 0.00 61.69 63.44 1ypp s THR 151 Cb -0.11 -3.91 0.25 0.00 0.01 0.00 0.00 72.50 68.74 1ypp s THR 151 CO 0.12 -0.28 0.62 -0.67 -0.69 0.00 0.00 174.62 173.73 1ypp n ASP 152 N 7.49 -0.62 -4.74 3.53 2.03 -0.78 -1.56 116.55 121.90 1ypp n ASP 152 Ca 0.16 -2.86 -0.39 0.00 0.52 0.00 0.00 54.79 52.21 1ypp n ASP 152 Cb 0.45 0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1ypp n ASP 152 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ypp n TRP 153 N 1.44 2.34 -3.84 -0.67 7.02 -1.26 -3.16 117.44 119.31 1ypp n TRP 153 Ca 0.18 0.45 -0.36 0.00 -1.02 0.00 0.00 57.50 56.74 1ypp n TRP 153 Cb 0.56 -2.39 -0.13 0.00 -2.42 0.00 0.00 31.31 26.93 1ypp n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1ypp s LYS 154 N -2.60 2.70 -0.08 -0.99 -0.14 0.59 -3.51 119.74 115.71 1ypp s LYS 154 Ca 0.66 -1.10 -0.25 0.00 -1.36 0.00 0.00 55.97 53.93 1ypp s LYS 154 Cb -0.44 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.40 1ypp s LYS 154 CO 0.54 -0.56 0.76 0.08 -0.76 0.00 0.00 175.35 175.41 1ypp s VAL 155 N 1.36 4.99 -0.25 3.17 1.01 0.20 0.24 120.40 131.13 1ypp s VAL 155 Ca -0.02 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.31 1ypp s VAL 155 Cb -0.19 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1ypp s VAL 155 CO 0.00 0.20 0.67 -0.63 0.00 0.00 0.00 175.10 175.34 1ypp s ILE 156 N 1.07 4.96 0.21 2.22 1.01 -0.80 0.35 121.20 130.22 1ypp s ILE 156 Ca 0.40 1.21 0.01 0.00 0.00 0.00 0.00 60.65 62.27 1ypp s ILE 156 Cb -0.18 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1ypp s ILE 156 CO 0.18 0.01 0.05 0.00 0.00 0.00 0.00 174.94 175.18 1ypp s ALA 157 N 2.57 1.49 -0.02 9.38 0.00 -0.11 -1.70 121.76 133.37 1ypp s ALA 157 Ca 0.28 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1ypp s ALA 157 Cb -0.15 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1ypp s ALA 157 CO 0.08 -0.39 -0.03 -1.50 0.00 0.00 0.00 175.76 173.91 1ypp s ILE 158 N -3.73 0.38 0.35 0.00 2.07 -1.21 -1.64 121.20 117.43 1ypp s ILE 158 Ca 0.30 -0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 59.17 1ypp s ILE 158 Cb 0.07 -0.39 -0.12 0.00 0.13 0.00 0.00 42.46 42.14 1ypp s ILE 158 CO 0.08 0.16 1.22 -0.67 -1.91 0.00 0.00 174.94 173.82 1ypp n ASP 159 N 3.64 2.36 0.12 4.50 -0.08 -1.26 -2.40 116.55 123.44 1ypp n ASP 159 Ca -0.21 1.17 -0.00 0.00 -1.51 0.00 0.00 54.79 54.24 1ypp n ASP 159 Cb 0.53 -1.44 0.27 0.00 2.34 0.00 0.00 41.12 42.82 1ypp n ASP 159 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1ypp h ILE 160 N 2.30 1.30 0.00 5.18 3.07 -1.53 -1.58 117.51 126.24 1ypp h ILE 160 Ca -0.45 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.50 1ypp h ILE 160 Cb 1.30 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 1ypp h ILE 160 CO 0.61 0.43 0.00 0.59 -1.05 0.00 0.00 178.15 178.73 1ypp n ASN 161 N -4.04 0.00 -4.73 2.16 3.02 -1.26 -4.66 115.26 105.74 1ypp n ASN 161 Ca -0.02 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 53.88 1ypp n ASN 161 Cb 0.46 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 1ypp n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ypp s ASP 162 N -2.23 6.85 0.17 6.41 2.15 -0.60 -4.84 116.67 124.59 1ypp s ASP 162 Ca 0.19 2.42 0.07 0.00 0.43 0.00 0.00 52.55 55.65 1ypp s ASP 162 Cb 0.10 -2.61 0.37 0.00 -0.30 0.00 0.00 42.92 40.48 1ypp s ASP 162 CO 0.19 -0.57 1.05 -2.65 -0.17 0.00 0.00 175.17 173.02 1ypp n PRO 163 N 2.85 0.05 -0.00 4.34 -0.02 -1.26 0.13 135.00 141.09 1ypp n PRO 163 Ca 0.07 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1ypp n PRO 163 Cb 0.42 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1ypp n PRO 163 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ypp n LEU 164 N -1.69 1.41 -0.03 2.45 4.77 -1.26 -4.80 117.00 117.85 1ypp n LEU 164 Ca -0.00 -1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 54.81 1ypp n LEU 164 Cb 0.27 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1ypp n LEU 164 CO 0.03 0.30 0.51 0.00 -1.33 0.00 0.00 177.39 176.90 1ypp h ALA 165 N 0.92 -0.87 -1.41 -1.18 0.00 0.87 -2.60 119.26 115.00 1ypp h ALA 165 Ca 0.00 -0.05 0.41 0.00 0.00 0.00 0.00 54.91 55.28 1ypp h ALA 165 Cb 0.20 1.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1ypp h ALA 165 CO 0.00 -1.08 0.98 -1.35 0.00 0.00 0.00 179.25 177.79 1ypp h PRO 166 N -0.55 0.07 -0.00 0.00 0.11 -1.87 1.19 132.00 130.94 1ypp h PRO 166 Ca 0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1ypp h PRO 166 Cb 0.67 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1ypp h PRO 166 CO -0.47 0.05 -0.34 1.63 -0.21 0.00 0.00 178.00 178.66 1ypp n LYS 167 N -4.30 0.41 -3.64 1.05 4.01 -0.99 -4.76 118.16 109.95 1ypp n LYS 167 Ca 0.33 -0.23 -0.40 0.00 -0.51 0.00 0.00 58.31 57.51 1ypp n LYS 167 Cb 1.44 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 34.35 1ypp n LYS 167 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ypp s LEU 168 N -2.74 4.51 -0.02 -0.35 1.43 0.41 -4.90 118.68 117.01 1ypp s LEU 168 Ca 0.18 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1ypp s LEU 168 Cb 0.19 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1ypp s LEU 168 CO 0.60 -0.33 0.00 0.59 0.23 0.00 0.00 176.35 177.44 1ypp n ASN 169 N 4.96 4.45 -2.30 2.29 4.13 -1.26 -4.95 115.26 122.58 1ypp n ASN 169 Ca -0.12 -0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.03 1ypp n ASN 169 Cb 0.46 0.45 -0.03 0.00 -1.54 0.00 0.00 39.78 39.13 1ypp n ASN 169 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ypp n ASP 170 N -2.14 -0.75 -0.35 6.41 2.03 -1.26 -4.87 116.55 115.60 1ypp n ASP 170 Ca -0.03 -2.25 0.05 0.00 0.52 0.00 0.00 54.79 53.09 1ypp n ASP 170 Cb 0.55 1.47 0.22 0.00 -0.72 0.00 0.00 41.12 42.64 1ypp n ASP 170 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1ypp h ILE 171 N 1.65 1.00 0.00 5.18 6.09 -1.26 -2.93 117.51 127.24 1ypp h ILE 171 Ca -0.17 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1ypp h ILE 171 Cb 0.75 -0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1ypp h ILE 171 CO 0.23 0.19 0.00 -0.62 -3.07 0.00 0.00 178.15 174.88 1ypp n GLU 172 N -4.55 0.09 0.07 2.19 4.71 -1.26 -1.70 120.64 120.19 1ypp n GLU 172 Ca 0.17 0.39 0.05 0.00 -0.01 0.00 0.00 57.16 57.76 1ypp n GLU 172 Cb 0.27 -1.70 -0.04 0.00 -1.01 0.00 0.00 31.44 28.97 1ypp n GLU 172 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1ypp h ASP 173 N 0.00 0.00 -0.23 1.62 3.32 -1.87 -3.31 116.42 115.94 1ypp h ASP 173 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ypp h ASP 173 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ypp h ASP 173 CO 0.00 0.33 0.11 0.58 -1.72 0.00 0.00 179.24 178.53 1ypp h VAL 174 N 0.00 1.15 0.00 -1.35 2.07 -1.46 -0.96 116.25 115.70 1ypp h VAL 174 Ca -0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ypp h VAL 174 Cb 1.33 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ypp h VAL 174 CO 0.03 0.15 0.00 1.21 0.02 0.00 0.00 177.57 178.97 1ypp n GLU 175 N -4.83 0.22 -0.09 1.57 4.07 -1.25 -0.88 120.64 119.46 1ypp n GLU 175 Ca -0.03 0.14 -0.21 0.00 -0.06 0.00 0.00 57.16 56.99 1ypp n GLU 175 Cb 0.11 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 29.87 1ypp n GLU 175 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1ypp h LYS 176 N 0.00 0.03 0.00 5.31 3.64 -1.30 -3.33 116.57 120.93 1ypp h LYS 176 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ypp h LYS 176 Cb 0.12 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ypp h LYS 176 CO 0.00 1.02 -1.18 0.66 -2.27 0.00 0.00 179.45 177.68 1ypp n TYR 177 N -4.36 0.26 -3.09 1.91 4.01 -0.72 -4.54 117.16 110.63 1ypp n TYR 177 Ca -0.30 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.30 1ypp n TYR 177 Cb 0.70 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1ypp n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ypp n PHE 178 N -2.03 1.58 -1.68 -0.72 3.72 -0.06 -5.10 117.46 113.17 1ypp n PHE 178 Ca 0.01 -3.87 -0.43 0.00 -0.05 0.00 0.00 57.45 53.11 1ypp n PHE 178 Cb 0.46 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 1ypp n PHE 178 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ypp n PRO 179 N 0.08 2.73 0.00 -1.08 -0.04 -1.25 -1.89 135.00 133.56 1ypp n PRO 179 Ca 0.27 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.72 1ypp n PRO 179 Cb 0.57 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1ypp n PRO 179 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ypp n GLY 180 N 4.25 1.79 0.29 0.55 0.00 -1.26 -4.89 105.19 105.93 1ypp n GLY 180 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 1ypp n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ypp h LEU 181 N 0.00 0.00 0.04 0.99 5.85 -1.73 -2.23 115.31 118.22 1ypp h LEU 181 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1ypp h LEU 181 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1ypp h LEU 181 CO 0.00 0.03 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.80 1ypp h LEU 182 N 0.00 0.13 -0.65 2.25 -0.00 -1.90 -2.90 115.31 112.25 1ypp h LEU 182 Ca -0.00 -0.98 0.05 0.00 -0.00 0.00 0.00 57.88 56.95 1ypp h LEU 182 Cb 0.32 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.89 1ypp h LEU 182 CO 0.00 1.12 0.37 -0.09 -0.00 0.00 0.00 178.44 179.85 1ypp h ARG 183 N -0.82 0.68 0.00 1.13 2.43 -1.92 -2.38 114.38 113.50 1ypp h ARG 183 Ca -0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ypp h ARG 183 Cb 1.19 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ypp h ARG 183 CO 0.04 0.45 -0.02 0.00 -1.51 0.00 0.00 179.97 178.93 1ypp h ALA 184 N 1.32 1.02 0.13 2.80 0.00 -1.51 -2.70 119.26 120.32 1ypp h ALA 184 Ca 0.28 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.89 1ypp h ALA 184 Cb 0.13 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ypp h ALA 184 CO -0.15 0.02 -1.25 1.15 0.00 0.00 0.00 179.25 179.02 1ypp h THR 185 N 0.00 1.47 0.22 0.00 2.02 -1.21 -0.95 112.91 114.46 1ypp h THR 185 Ca -0.00 -2.99 -0.01 0.00 0.77 0.00 0.00 66.41 64.18 1ypp h THR 185 Cb 0.38 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1ypp h THR 185 CO 0.00 0.88 -0.10 -1.13 0.37 0.00 0.00 175.52 175.54 1ypp h ASN 186 N 0.09 -0.24 0.52 4.18 -0.73 -1.43 -2.88 115.58 115.09 1ypp h ASN 186 Ca -0.14 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 57.73 1ypp h ASN 186 Cb 1.97 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.61 1ypp h ASN 186 CO 0.21 0.25 -0.38 -0.08 -0.37 0.00 0.00 177.43 177.06 1ypp h GLU 187 N -0.84 -0.84 -0.91 6.67 4.81 -1.60 -1.52 114.58 120.35 1ypp h GLU 187 Ca -0.03 0.06 0.26 0.00 -0.13 0.00 0.00 59.36 59.52 1ypp h GLU 187 Cb 0.51 0.19 -0.15 0.00 0.63 0.00 0.00 28.75 29.94 1ypp h GLU 187 CO 0.05 -0.56 0.28 2.35 -0.73 0.00 0.00 179.01 180.40 1ypp h TRP 188 N -0.87 0.43 0.00 0.92 7.01 -1.23 -1.49 115.95 120.72 1ypp h TRP 188 Ca -0.06 0.05 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 1ypp h TRP 188 Cb 0.74 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 1ypp h TRP 188 CO -0.15 -0.24 -0.46 0.74 -2.79 0.00 0.00 178.44 175.55 1ypp h PHE 189 N 0.20 0.00 0.38 2.65 0.04 -1.19 -2.00 116.94 117.03 1ypp h PHE 189 Ca 0.60 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.35 1ypp h PHE 189 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1ypp h PHE 189 CO -0.23 0.26 -0.18 0.00 -0.60 0.00 0.00 178.31 177.55 1ypp h ARG 190 N 0.00 -0.49 0.00 1.51 3.08 -0.28 -3.40 114.38 114.80 1ypp h ARG 190 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ypp h ARG 190 Cb 1.21 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1ypp h ARG 190 CO 0.03 -0.19 -0.49 0.44 -1.07 0.00 0.00 179.97 178.69 1ypp n ILE 191 N -5.20 0.10 0.25 2.04 -5.35 -0.91 -1.50 119.36 108.79 1ypp n ILE 191 Ca -0.10 -0.08 0.17 0.00 -0.27 0.00 0.00 62.75 62.47 1ypp n ILE 191 Cb 0.28 0.07 0.90 0.00 -1.74 0.00 0.00 39.64 39.14 1ypp n ILE 191 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 1ypp h TYR 192 N 0.00 0.00 0.00 4.28 -0.00 -1.56 -2.52 116.97 117.17 1ypp h TYR 192 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ypp h TYR 192 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.30 1ypp h TYR 192 CO 0.00 0.00 -0.62 1.63 -0.00 0.00 0.00 178.16 179.17 1ypp n LYS 193 N -2.66 2.89 -0.09 0.10 5.02 -1.26 -4.61 118.16 117.55 1ypp n LYS 193 Ca -0.02 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1ypp n LYS 193 Cb 0.06 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1ypp n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ypp h ILE 194 N 0.00 0.16 0.00 -0.18 2.04 -1.50 0.12 117.51 118.15 1ypp h ILE 194 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ypp h ILE 194 Cb 0.30 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1ypp h ILE 194 CO 0.00 0.00 0.40 -2.65 0.00 0.00 0.00 178.15 175.90 1ypp n PRO 195 N -5.42 0.06 0.00 2.37 -0.02 -1.26 0.25 135.00 130.97 1ypp n PRO 195 Ca -0.01 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1ypp n PRO 195 Cb 0.35 -2.08 0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1ypp n PRO 195 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ypp n ASP 196 N -1.84 2.77 -0.12 2.55 8.00 0.37 -4.92 116.55 123.36 1ypp n ASP 196 Ca -0.01 -1.89 -0.01 0.00 0.71 0.00 0.00 54.79 53.59 1ypp n ASP 196 Cb 0.41 0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1ypp n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ypp n GLY 197 N 1.36 0.39 3.98 0.44 0.00 0.69 -5.05 105.19 107.00 1ypp n GLY 197 Ca 0.13 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 1ypp n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypp s LYS 198 N -3.21 2.99 1.00 1.61 -0.14 -0.91 -4.98 119.74 116.10 1ypp s LYS 198 Ca 0.00 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 53.37 1ypp s LYS 198 Cb 0.00 -2.77 0.19 0.00 -1.68 0.00 0.00 37.83 33.57 1ypp s LYS 198 CO 0.00 -0.05 1.10 -2.14 -0.76 0.00 0.00 175.35 173.50 1ypp s PRO 199 N -4.22 0.45 0.14 -1.68 0.02 -1.26 -3.57 135.00 124.89 1ypp s PRO 199 Ca 0.48 0.50 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 1ypp s PRO 199 Cb -0.09 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1ypp s PRO 199 CO 0.31 -2.71 1.21 -2.00 -0.33 0.00 0.00 177.00 173.48 1ypp s GLU 200 N -4.98 4.47 0.81 5.54 2.12 -1.26 -4.46 118.70 120.94 1ypp s GLU 200 Ca 0.65 1.85 -0.12 0.00 0.36 0.00 0.00 54.97 57.71 1ypp s GLU 200 Cb -0.18 -3.28 0.08 0.00 0.26 0.00 0.00 34.13 31.01 1ypp s GLU 200 CO 0.57 -0.16 1.11 -0.80 -0.54 0.00 0.00 175.26 175.45 1ypp s ASN 201 N 0.48 4.37 0.19 -1.70 0.01 -0.57 -4.96 114.94 112.76 1ypp s ASN 201 Ca 0.55 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 1ypp s ASN 201 Cb -0.32 -1.87 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 1ypp s ASN 201 CO 0.34 -2.03 -0.03 -1.10 -1.51 0.00 0.00 177.10 172.77 1ypp s GLN 202 N -5.23 1.19 -0.00 -0.60 1.11 -1.20 -4.70 119.66 110.22 1ypp s GLN 202 Ca 0.61 -1.57 0.08 0.00 0.01 0.00 0.00 55.36 54.49 1ypp s GLN 202 Cb -0.14 -0.52 -0.02 0.00 -1.01 0.00 0.00 33.01 31.32 1ypp s GLN 202 CO 0.53 -0.06 -0.25 -0.06 0.01 0.00 0.00 175.29 175.46 1ypp s PHE 203 N -3.46 2.26 0.97 0.91 0.08 -1.26 -1.38 117.98 116.09 1ypp s PHE 203 Ca 0.24 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1ypp s PHE 203 Cb 0.05 -1.43 0.17 0.00 -0.57 0.00 0.00 43.02 41.24 1ypp s PHE 203 CO 0.05 0.01 1.10 0.00 -0.10 0.00 0.00 175.22 176.28 1ypp s ALA 204 N -0.65 1.17 -1.25 5.36 0.00 0.51 -3.54 121.76 123.36 1ypp s ALA 204 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1ypp s ALA 204 Cb -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ypp s ALA 204 CO -0.00 -2.68 0.00 1.19 0.00 0.00 0.00 175.76 174.27 1ypp n PHE 205 N -4.07 -0.02 -1.75 0.00 3.72 -1.26 -1.21 117.46 112.87 1ypp n PHE 205 Ca 0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1ypp n PHE 205 Cb 0.57 -2.79 -0.02 0.00 -0.94 0.00 0.00 39.48 36.30 1ypp n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ypp n SER 206 N -1.10 -3.60 0.00 4.37 7.64 -1.23 -2.70 113.62 117.00 1ypp n SER 206 Ca -0.12 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ypp n SER 206 Cb 0.59 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.37 1ypp n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypp n GLY 207 N -1.41 0.52 3.71 0.23 0.00 -0.35 -4.99 105.19 102.89 1ypp n GLY 207 Ca -0.10 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1ypp n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ypp s GLU 208 N -0.62 4.16 -0.31 1.61 2.12 -1.10 -4.94 118.70 119.63 1ypp s GLU 208 Ca 0.00 2.49 -0.26 0.00 0.36 0.00 0.00 54.97 57.56 1ypp s GLU 208 Cb 0.00 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.15 1ypp s GLU 208 CO 0.00 -0.72 0.91 0.00 -0.54 0.00 0.00 175.26 174.91 1ypp s ALA 209 N 1.58 3.53 0.41 6.30 0.00 -1.26 -4.51 121.76 127.81 1ypp s ALA 209 Ca 0.74 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1ypp s ALA 209 Cb -0.46 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 1ypp s ALA 209 CO 0.32 -1.30 0.97 0.15 0.00 0.00 0.00 175.76 175.91 1ypp s LYS 210 N 3.22 4.24 1.24 0.00 -0.14 -0.08 -4.86 119.74 123.36 1ypp s LYS 210 Ca 0.38 1.23 -0.14 0.00 -1.36 0.00 0.00 55.97 56.08 1ypp s LYS 210 Cb -0.13 -2.33 0.32 0.00 -1.68 0.00 0.00 37.83 34.00 1ypp s LYS 210 CO 0.13 -0.03 1.00 0.54 -0.76 0.00 0.00 175.35 176.23 1ypp s ASN 211 N -1.98 0.37 0.37 2.83 2.20 -1.26 -1.41 114.94 116.06 1ypp s ASN 211 Ca 0.60 1.43 0.05 0.00 -0.94 0.00 0.00 52.86 54.00 1ypp s ASN 211 Cb -0.13 -2.20 0.74 0.00 -2.00 0.00 0.00 41.25 37.65 1ypp s ASN 211 CO 0.17 -4.57 1.98 0.50 -2.94 0.00 0.00 177.10 172.25 1ypp h LYS 212 N -2.87 0.57 -0.01 3.55 3.64 -1.88 -1.80 116.57 117.76 1ypp h LYS 212 Ca -0.61 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.69 1ypp h LYS 212 Cb 1.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1ypp h LYS 212 CO 0.47 0.45 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.87 1ypp h LYS 213 N 0.57 0.03 -0.71 1.90 3.64 -1.90 -2.25 116.57 117.85 1ypp h LYS 213 Ca 0.14 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 1ypp h LYS 213 Cb 0.08 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.81 1ypp h LYS 213 CO -0.02 0.59 0.23 -0.92 -2.27 0.00 0.00 179.45 177.07 1ypp h TYR 214 N -0.52 0.38 -0.51 1.91 5.03 -1.86 -1.73 116.97 119.67 1ypp h TYR 214 Ca 0.00 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.45 1ypp h TYR 214 Cb 0.59 -0.06 -0.09 0.00 1.55 0.00 0.00 36.73 38.72 1ypp h TYR 214 CO 0.12 0.01 -0.01 0.00 -1.32 0.00 0.00 178.16 176.96 1ypp h ALA 215 N 1.54 0.47 -0.34 1.82 0.00 -1.17 -1.31 119.26 120.27 1ypp h ALA 215 Ca 0.39 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 1ypp h ALA 215 Cb 0.61 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ypp h ALA 215 CO -0.43 -0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 178.24 1ypp h LEU 216 N 0.10 0.58 -0.01 0.00 3.38 -0.76 0.26 115.31 118.86 1ypp h LEU 216 Ca 0.26 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ypp h LEU 216 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ypp h LEU 216 CO -0.44 0.73 -0.06 0.44 0.09 0.00 0.00 178.44 179.20 1ypp h ASP 217 N 0.55 -0.17 -0.20 -0.43 3.32 -0.43 0.45 116.42 119.50 1ypp h ASP 217 Ca 0.10 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1ypp h ASP 217 Cb 0.53 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1ypp h ASP 217 CO 0.03 -0.09 0.01 0.40 -1.72 0.00 0.00 179.24 177.87 1ypp h ILE 218 N -0.10 1.25 -0.54 0.35 1.08 -0.88 -0.46 117.51 118.21 1ypp h ILE 218 Ca 0.03 -0.83 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 1ypp h ILE 218 Cb 0.14 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.21 1ypp h ILE 218 CO -0.07 0.26 0.12 0.40 -0.69 0.00 0.00 178.15 178.17 1ypp h ILE 219 N 0.12 0.71 -0.70 -0.67 5.03 -0.32 -2.62 117.51 119.07 1ypp h ILE 219 Ca 0.06 -0.09 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1ypp h ILE 219 Cb 0.37 0.42 -0.03 0.00 -3.03 0.00 0.00 36.82 34.55 1ypp h ILE 219 CO 0.01 0.05 0.42 0.11 -0.68 0.00 0.00 178.15 178.06 1ypp h LYS 220 N 0.27 0.96 -0.57 2.37 1.57 -0.35 -1.67 116.57 119.13 1ypp h LYS 220 Ca 0.27 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1ypp h LYS 220 Cb 0.37 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 1ypp h LYS 220 CO -0.34 0.68 0.17 0.93 -0.57 0.00 0.00 179.45 180.32 1ypp h GLU 221 N 0.96 0.32 -0.34 3.15 5.08 -0.78 0.14 114.58 123.11 1ypp h GLU 221 Ca 0.25 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1ypp h GLU 221 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ypp h GLU 221 CO -0.05 0.21 0.14 1.15 -1.00 0.00 0.00 179.01 179.47 1ypp h THR 222 N 0.33 1.13 -0.21 1.13 2.02 -1.17 -1.27 112.91 114.87 1ypp h THR 222 Ca 0.29 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1ypp h THR 222 Cb 0.38 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1ypp h THR 222 CO -0.33 0.15 -0.40 -0.74 0.37 0.00 0.00 175.52 174.57 1ypp h HIS 223 N 0.47 0.57 -0.32 3.16 -0.00 -0.06 -2.16 115.15 116.82 1ypp h HIS 223 Ca 0.12 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 1ypp h HIS 223 Cb 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1ypp h HIS 223 CO 0.00 0.81 0.02 -0.44 -0.00 0.00 0.00 177.93 178.33 1ypp h ASP 224 N 0.40 0.53 -0.83 3.26 3.32 -0.21 -1.76 116.42 121.12 1ypp h ASP 224 Ca 0.04 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 56.88 1ypp h ASP 224 Cb 0.87 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.21 1ypp h ASP 224 CO 0.07 0.68 0.49 0.28 -1.72 0.00 0.00 179.24 179.05 1ypp h SER 225 N 0.35 0.73 0.38 6.45 0.02 -1.34 0.39 113.55 120.53 1ypp h SER 225 Ca 0.09 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1ypp h SER 225 Cb 0.40 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ypp h SER 225 CO 0.01 0.43 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.66 1ypp h TRP 226 N 0.85 0.00 -0.19 3.45 7.01 -1.12 -1.21 115.95 124.74 1ypp h TRP 226 Ca 0.39 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.27 1ypp h TRP 226 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1ypp h TRP 226 CO -0.05 0.22 -0.36 0.87 -2.79 0.00 0.00 178.44 176.34 1ypp h LYS 227 N 0.00 0.57 0.07 2.65 1.57 0.62 -0.77 116.57 121.27 1ypp h LYS 227 Ca -0.00 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1ypp h LYS 227 Cb 0.47 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ypp h LYS 227 CO 0.03 0.97 -0.03 1.96 -0.57 0.00 0.00 179.45 181.81 1ypp h GLN 228 N 0.23 -0.09 -0.02 3.15 4.20 -0.79 -0.57 115.11 121.23 1ypp h GLN 228 Ca 0.01 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1ypp h GLN 228 Cb 0.95 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1ypp h GLN 228 CO 0.08 -0.04 -0.11 1.25 -0.67 0.00 0.00 178.83 179.34 1ypp h LEU 229 N -0.11 -0.34 -1.53 1.46 5.85 -1.15 -1.27 115.31 118.23 1ypp h LEU 229 Ca -0.01 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ypp h LEU 229 Cb 0.09 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1ypp h LEU 229 CO 0.01 -0.10 0.23 -0.29 -0.34 0.00 0.00 178.44 177.96 1ypp h ILE 230 N -0.12 1.12 -0.24 4.05 6.09 -1.12 -1.63 117.51 125.66 1ypp h ILE 230 Ca 0.01 -0.29 -0.02 0.00 -1.37 0.00 0.00 64.86 63.19 1ypp h ILE 230 Cb 0.14 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 37.98 1ypp h ILE 230 CO -0.08 0.13 0.08 0.00 -3.07 0.00 0.00 178.15 175.21 1ypp h ALA 231 N 1.70 1.69 0.00 0.18 0.00 -0.94 -3.42 119.26 118.47 1ypp h ALA 231 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ypp h ALA 231 Cb -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ypp h ALA 231 CO -0.03 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1ypp n GLY 232 N -1.28 1.08 0.85 0.00 0.00 -0.61 -4.67 105.19 100.55 1ypp n GLY 232 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1ypp n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ypp n LYS 233 N -0.14 2.15 -2.47 1.61 5.02 -0.55 -4.97 118.16 118.81 1ypp n LYS 233 Ca 0.00 -1.54 -0.39 0.00 -2.02 0.00 0.00 58.31 54.36 1ypp n LYS 233 Cb 0.00 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 1ypp n LYS 233 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ypp s SER 234 N -0.92 7.04 0.17 4.39 0.15 -1.23 -4.88 113.70 118.42 1ypp s SER 234 Ca 0.28 2.22 -0.17 0.00 0.70 0.00 0.00 55.95 58.98 1ypp s SER 234 Cb 0.16 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1ypp s SER 234 CO 0.17 -0.30 1.67 0.28 1.20 0.00 0.00 173.24 176.26 1ypp h SER 235 N 3.31 -0.38 -2.39 5.45 0.02 -1.96 -3.40 113.55 114.21 1ypp h SER 235 Ca -0.47 0.13 -0.26 0.00 -0.84 0.00 0.00 61.79 60.35 1ypp h SER 235 Cb 1.22 0.26 -0.34 0.00 0.14 0.00 0.00 62.40 63.68 1ypp h SER 235 CO 0.65 -0.14 -0.57 -0.62 -1.14 0.00 0.00 176.83 175.01 1ypp s ASP 236 N -5.22 0.92 0.00 3.07 2.15 -1.26 -5.05 116.67 111.28 1ypp s ASP 236 Ca -0.14 0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.13 1ypp s ASP 236 Cb 0.15 0.63 1.46 0.00 -0.30 0.00 0.00 42.92 44.86 1ypp s ASP 236 CO 0.71 -0.31 1.96 -1.54 -0.17 0.00 0.00 175.17 175.82 1ypp n SER 237 N 5.34 0.00 -3.39 -0.34 3.41 -1.26 -4.86 113.62 112.51 1ypp n SER 237 Ca -0.05 -0.31 -0.25 0.00 -0.26 0.00 0.00 58.87 58.00 1ypp n SER 237 Cb 0.50 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1ypp n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ypp n LYS 238 N -1.21 -4.69 -0.81 4.33 4.76 -1.26 -2.04 118.16 117.24 1ypp n LYS 238 Ca 0.15 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 1ypp n LYS 238 Cb 0.19 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 27.88 1ypp n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ypp n GLY 239 N -1.47 0.44 3.68 0.72 0.00 -1.26 -4.94 105.19 102.36 1ypp n GLY 239 Ca -0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.52 1ypp n GLY 239 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ypp n ILE 240 N -2.12 0.47 -2.73 -0.61 5.41 -0.87 -4.63 119.36 114.29 1ypp n ILE 240 Ca 0.00 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 1ypp n ILE 240 Cb 0.06 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.11 1ypp n ILE 240 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ypp s ASP 241 N 3.41 6.63 -0.15 4.38 -1.08 0.51 -4.91 116.67 125.45 1ypp s ASP 241 Ca 0.89 0.44 0.06 0.00 -0.52 0.00 0.00 52.55 53.42 1ypp s ASP 241 Cb -0.66 -2.50 0.40 0.00 -1.46 0.00 0.00 42.92 38.71 1ypp s ASP 241 CO 0.47 -1.06 1.24 0.18 0.52 0.00 0.00 175.17 176.53 1ypp n LEU 242 N 7.27 3.86 -4.77 -1.34 4.77 -1.26 -4.73 117.00 120.81 1ypp n LEU 242 Ca 0.09 -1.98 -0.38 0.00 -0.03 0.00 0.00 56.01 53.71 1ypp n LEU 242 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1ypp n LEU 242 CO 0.65 0.54 0.89 -0.89 -1.33 0.00 0.00 177.39 177.24 1ypp s THR 243 N -1.86 2.79 -0.01 -5.08 2.01 -1.26 -4.71 115.64 107.52 1ypp s THR 243 Ca 0.29 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.70 1ypp s THR 243 Cb 0.22 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 69.45 1ypp s THR 243 CO 0.08 0.02 0.45 0.54 -0.69 0.00 0.00 174.62 175.02 1ypp s ASN 244 N -1.13 -0.36 0.00 3.53 2.20 -1.24 -4.54 114.94 113.40 1ypp s ASN 244 Ca 0.63 0.28 0.05 0.00 -0.94 0.00 0.00 52.86 52.88 1ypp s ASN 244 Cb -0.33 0.41 0.13 0.00 -2.00 0.00 0.00 41.25 39.46 1ypp s ASN 244 CO 0.41 -0.54 1.06 1.33 -2.94 0.00 0.00 177.10 176.41 1ypp n VAL 245 N 1.01 0.86 0.00 3.54 0.24 -1.26 -0.83 118.33 121.89 1ypp n VAL 245 Ca -0.20 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1ypp n VAL 245 Cb 0.57 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1ypp n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ypp n THR 246 N 0.03 0.00 -3.52 3.34 -2.24 -1.26 -4.80 114.28 105.83 1ypp n THR 246 Ca 0.05 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1ypp n THR 246 Cb 0.31 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 1ypp n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ypp s LEU 247 N -0.94 5.84 0.30 3.22 2.01 -1.26 -4.95 118.68 122.90 1ypp s LEU 247 Ca 0.00 -2.12 0.25 0.00 0.01 0.00 0.00 54.13 52.27 1ypp s LEU 247 Cb 0.00 -2.04 0.66 0.00 0.01 0.00 0.00 46.19 44.82 1ypp s LEU 247 CO 0.00 -0.66 1.72 1.55 1.01 0.00 0.00 176.35 179.97 1ypp h PRO 248 N 8.24 0.00 -0.01 1.29 0.14 -1.95 -2.67 132.00 137.03 1ypp h PRO 248 Ca -0.15 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.99 1ypp h PRO 248 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.20 1ypp h PRO 248 CO 0.85 0.00 -0.02 -0.40 0.14 0.00 0.00 178.00 178.57 1ypp n ASP 249 N -2.56 1.01 -4.79 1.44 5.75 -1.26 -4.79 116.55 111.34 1ypp n ASP 249 Ca 0.05 -1.27 -0.35 0.00 -0.01 0.00 0.00 54.79 53.21 1ypp n ASP 249 Cb 0.46 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.48 1ypp n ASP 249 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ypp s THR 250 N -2.06 4.91 0.34 2.12 -4.23 -1.01 -5.01 115.64 110.70 1ypp s THR 250 Ca 0.39 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1ypp s THR 250 Cb 0.21 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 71.17 1ypp s THR 250 CO 0.36 0.53 1.99 1.55 -0.54 0.00 0.00 174.62 178.52 1ypp h PRO 251 N 4.76 0.89 -0.02 3.99 0.13 -1.83 -2.42 132.00 137.49 1ypp h PRO 251 Ca -0.52 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1ypp h PRO 251 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ypp h PRO 251 CO 0.58 0.59 0.00 0.25 -0.23 0.00 0.00 178.00 179.19 1ypp n THR 252 N -4.44 0.02 -1.72 1.56 -2.24 -1.26 -4.90 114.28 101.30 1ypp n THR 252 Ca 0.08 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1ypp n THR 252 Cb 0.06 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1ypp n THR 252 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ypp s TYR 253 N -1.98 2.09 -0.25 4.78 5.04 -0.91 -3.61 117.35 122.51 1ypp s TYR 253 Ca 0.40 -0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1ypp s TYR 253 Cb 0.20 -4.17 0.13 0.00 0.35 0.00 0.00 41.96 38.48 1ypp s TYR 253 CO 0.33 -4.86 0.45 0.45 -1.34 0.00 0.00 175.55 170.58 1ypp s SER 254 N 2.83 -0.30 0.50 4.32 0.15 -0.01 -4.96 113.70 116.23 1ypp s SER 254 Ca 0.81 0.64 -0.10 0.00 0.70 0.00 0.00 55.95 57.99 1ypp s SER 254 Cb -0.45 1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 65.27 1ypp s SER 254 CO 0.36 -0.27 0.89 -0.75 1.20 0.00 0.00 173.24 174.67 1ypp s LYS 255 N 2.65 3.70 0.00 5.44 2.47 -1.26 -3.49 119.74 129.25 1ypp s LYS 255 Ca 0.10 0.57 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 1ypp s LYS 255 Cb -0.14 -2.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.98 1ypp s LYS 255 CO -0.16 -0.27 0.00 0.00 0.16 0.00 0.00 175.35 175.08 1ypp n ALA 256 N -2.00 0.00 0.14 3.13 0.00 -1.26 -4.82 120.51 115.70 1ypp n ALA 256 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ypp n ALA 256 Cb 0.54 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.15 1ypp n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ypp h ALA 257 N 0.00 0.84 -0.09 0.00 0.00 -1.93 -3.06 119.26 115.02 1ypp h ALA 257 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1ypp h ALA 257 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ypp h ALA 257 CO 0.00 0.74 -0.53 0.77 0.00 0.00 0.00 179.25 180.22 1ypp h SER 258 N 0.00 0.27 1.26 0.00 0.02 -1.82 -3.03 113.55 110.25 1ypp h SER 258 Ca -0.01 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ypp h SER 258 Cb 1.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ypp h SER 258 CO 0.08 0.76 0.00 0.47 -1.14 0.00 0.00 176.83 177.00 1ypp n ASP 259 N -3.93 0.52 0.18 3.07 8.00 -1.16 -3.44 116.55 119.79 1ypp n ASP 259 Ca -0.02 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.16 1ypp n ASP 259 Cb 0.57 -0.69 0.30 0.00 -0.02 0.00 0.00 41.12 41.28 1ypp n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ypp h ALA 260 N 2.67 1.00 -2.47 2.24 0.00 -1.50 -3.44 119.26 117.76 1ypp h ALA 260 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1ypp h ALA 260 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ypp h ALA 260 CO 0.00 0.00 0.46 0.42 0.00 0.00 0.00 179.25 180.13 1ypp s ILE 261 N -3.21 4.43 0.91 0.00 -1.09 -1.22 -5.03 121.20 115.98 1ypp s ILE 261 Ca 0.08 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.17 1ypp s ILE 261 Cb 0.08 -4.14 0.14 0.00 -1.58 0.00 0.00 42.46 36.96 1ypp s ILE 261 CO 0.62 0.16 1.12 -2.84 -1.23 0.00 0.00 174.94 172.77 1ypp s PRO 262 N 0.87 1.10 0.89 2.79 0.02 -1.26 -5.01 135.00 134.40 1ypp s PRO 262 Ca 0.54 1.37 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 1ypp s PRO 262 Cb -0.25 -1.75 0.13 0.00 0.02 0.00 0.00 34.50 32.64 1ypp s PRO 262 CO 0.29 -2.52 1.09 -1.25 -0.33 0.00 0.00 177.00 174.29 1ypp s PRO 263 N -4.70 1.28 0.59 5.54 0.04 -1.26 -4.98 135.00 131.51 1ypp s PRO 263 Ca 0.66 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 1ypp s PRO 263 Cb -0.22 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1ypp s PRO 263 CO 0.58 -2.26 1.26 0.00 0.04 0.00 0.00 177.00 176.62 1ypp s ALA 264 N -2.87 2.57 -0.43 8.56 0.00 -1.26 -4.89 121.76 123.44 1ypp s ALA 264 Ca 0.64 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.81 1ypp s ALA 264 Cb -0.19 -3.50 0.35 0.00 0.00 0.00 0.00 23.12 19.78 1ypp s ALA 264 CO 0.57 -1.31 1.19 -1.13 0.00 0.00 0.00 175.76 175.09 1ypp n SER 265 N -1.51 -1.93 -4.77 0.00 3.41 -0.17 -4.98 113.62 103.66 1ypp n SER 265 Ca 0.13 -3.18 -0.38 0.00 -0.26 0.00 0.00 58.87 55.19 1ypp n SER 265 Cb 0.48 1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 65.82 1ypp n SER 265 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ypp s PRO 266 N 0.03 4.03 0.32 4.33 0.04 -1.09 0.86 135.00 143.52 1ypp s PRO 266 Ca 0.23 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1ypp s PRO 266 Cb 0.34 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1ypp s PRO 266 CO -0.06 -0.32 -0.02 0.15 0.04 0.00 0.00 177.00 176.79 1ypp s LYS 267 N -2.39 1.67 0.30 4.56 3.01 -0.79 -4.80 119.74 121.30 1ypp s LYS 267 Ca 0.58 -1.89 -0.18 0.00 -1.01 0.00 0.00 55.97 53.47 1ypp s LYS 267 Cb -0.29 -1.20 -0.09 0.00 -1.01 0.00 0.00 37.83 35.25 1ypp s LYS 267 CO 0.36 -0.03 0.77 0.00 0.51 0.00 0.00 175.35 176.95 1ypp s ALA 268 N -3.01 3.31 -0.22 5.17 0.00 -1.26 -4.14 121.76 121.60 1ypp s ALA 268 Ca 0.33 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.23 1ypp s ALA 268 Cb 0.06 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 1ypp s ALA 268 CO 0.14 0.30 0.79 -0.25 0.00 0.00 0.00 175.76 176.74 1ypp n ASP 269 N 0.00 0.48 -4.80 0.00 9.92 -1.26 -4.48 116.55 116.42 1ypp n ASP 269 Ca 0.02 0.46 -0.34 0.00 -0.53 0.00 0.00 54.79 54.41 1ypp n ASP 269 Cb 0.52 -0.40 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 1ypp n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ypp s ALA 270 N 1.77 2.82 0.50 2.24 0.00 -0.57 -4.90 121.76 123.62 1ypp s ALA 270 Ca 0.49 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 1ypp s ALA 270 Cb -0.67 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1ypp s ALA 270 CO 0.35 -0.50 1.17 -1.25 0.00 0.00 0.00 175.76 175.52 1ypp s PRO 271 N -3.51 3.52 -0.20 0.00 0.04 -1.26 -4.74 135.00 128.85 1ypp s PRO 271 Ca 0.66 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 1ypp s PRO 271 Cb -0.17 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1ypp s PRO 271 CO 0.26 -0.74 0.07 0.42 0.04 0.00 0.00 177.00 177.05 1ypp s ILE 272 N -1.61 4.72 0.09 0.56 1.01 -1.26 -5.04 121.20 119.66 1ypp s ILE 272 Ca 0.68 -0.05 -0.36 0.00 0.00 0.00 0.00 60.65 60.92 1ypp s ILE 272 Cb -0.28 -3.15 -0.18 0.00 0.01 0.00 0.00 42.46 38.86 1ypp s ILE 272 CO 0.33 0.42 1.04 -0.67 0.00 0.00 0.00 174.94 176.06 1ypp n ASP 273 N 3.89 0.36 0.00 3.58 2.03 -1.26 -4.80 116.55 120.35 1ypp n ASP 273 Ca -0.16 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1ypp n ASP 273 Cb 0.52 -1.04 0.01 0.00 -0.72 0.00 0.00 41.12 39.89 1ypp n ASP 273 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ypp n LYS 274 N 1.64 0.00 0.19 -0.67 4.01 -1.26 -1.92 118.16 120.15 1ypp n LYS 274 Ca 0.18 0.27 0.07 0.00 -0.51 0.00 0.00 58.31 58.33 1ypp n LYS 274 Cb 0.16 -1.50 0.24 0.00 -0.51 0.00 0.00 35.03 33.43 1ypp n LYS 274 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ypp h SER 275 N 0.00 0.00 0.14 4.39 4.64 -2.01 -3.15 113.55 117.56 1ypp h SER 275 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ypp h SER 275 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ypp h SER 275 CO 0.00 0.32 -0.05 0.40 -0.87 0.00 0.00 176.83 176.63 1ypp h ILE 276 N 0.00 0.56 0.00 0.95 1.08 -1.73 -2.16 117.51 116.21 1ypp h ILE 276 Ca -0.00 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.21 1ypp h ILE 276 Cb 1.04 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1ypp h ILE 276 CO 0.04 0.05 -0.24 0.44 -0.69 0.00 0.00 178.15 177.75 1ypp h ASP 277 N 0.00 0.00 -3.46 1.72 3.32 -1.75 -3.41 116.42 112.84 1ypp h ASP 277 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1ypp h ASP 277 Cb 0.13 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.82 1ypp h ASP 277 CO 0.01 0.24 0.26 1.17 -1.72 0.00 0.00 179.24 179.20 1ypp n LYS 278 N -4.17 1.34 -3.94 3.56 4.81 -0.82 -4.95 118.16 114.00 1ypp n LYS 278 Ca -0.02 0.49 -0.35 0.00 -0.87 0.00 0.00 58.31 57.56 1ypp n LYS 278 Cb 0.30 -2.22 -0.14 0.00 0.02 0.00 0.00 35.03 32.99 1ypp n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1ypp s TRP 279 N -1.35 2.96 -0.03 5.64 -0.11 -1.26 -3.94 118.94 120.85 1ypp s TRP 279 Ca 0.68 -1.13 -0.24 0.00 1.22 0.00 0.00 56.10 56.63 1ypp s TRP 279 Cb -0.48 -2.08 -0.04 0.00 -1.50 0.00 0.00 33.47 29.37 1ypp s TRP 279 CO 0.53 -0.61 0.71 -0.06 -4.62 0.00 0.00 176.95 172.89 1ypp s PHE 280 N 1.43 3.63 -1.06 5.86 0.40 -0.10 -4.86 117.98 123.29 1ypp s PHE 280 Ca 0.05 1.31 -0.07 0.00 -0.60 0.00 0.00 56.93 57.62 1ypp s PHE 280 Cb -0.15 -2.79 0.27 0.00 0.51 0.00 0.00 43.02 40.86 1ypp s PHE 280 CO -0.05 0.17 1.08 1.19 0.70 0.00 0.00 175.22 178.32 1ypp n PHE 281 N 3.39 4.68 0.95 0.36 3.01 -1.26 -1.91 117.46 126.68 1ypp n PHE 281 Ca -0.02 -3.82 0.11 0.00 1.01 0.00 0.00 57.45 54.74 1ypp n PHE 281 Cb 0.51 -1.51 0.10 0.00 -0.01 0.00 0.00 39.48 38.57 1ypp n PHE 281 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88