#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 3.47 0.00 -1.42 2.02 -1.26 0.41 117.35 120.57 1ypp s TYR 2 Ca 0.00 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1ypp s TYR 2 Cb 0.00 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.26 1ypp s TYR 2 CO 0.00 0.28 0.00 0.25 -1.57 0.00 0.00 175.55 174.51 1ypp n THR 3 N 3.46 0.00 -3.86 -0.71 -2.24 -0.82 -4.85 114.28 105.25 1ypp n THR 3 Ca -0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1ypp n THR 3 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.83 0.04 -0.33 4.28 -4.23 -1.26 -2.67 115.64 112.30 1ypp s THR 4 Ca 0.00 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 1ypp s THR 4 Cb 0.00 -0.28 0.08 0.00 1.34 0.00 0.00 72.50 73.64 1ypp s THR 4 CO 0.00 -0.18 0.03 -0.60 -0.54 0.00 0.00 174.62 173.34 1ypp s ARG 5 N -0.57 1.93 -0.23 3.99 3.52 -0.41 -4.93 118.95 122.25 1ypp s ARG 5 Ca -0.07 -1.64 -0.13 0.00 -0.13 0.00 0.00 55.73 53.77 1ypp s ARG 5 Cb -0.04 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 1ypp s ARG 5 CO 0.01 -0.82 0.25 -1.14 -0.81 0.00 0.00 175.30 172.78 1ypp s GLN 6 N 1.06 4.10 -0.21 5.12 0.74 -1.26 -1.60 119.66 127.60 1ypp s GLN 6 Ca 0.03 -0.10 -0.03 0.00 0.05 0.00 0.00 55.36 55.31 1ypp s GLN 6 Cb -0.20 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 1ypp s GLN 6 CO -0.05 0.00 -0.06 0.42 -0.55 0.00 0.00 175.29 175.05 1ypp s ILE 7 N 1.21 3.23 0.00 -2.34 1.01 0.17 -0.80 121.20 123.69 1ypp s ILE 7 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1ypp s ILE 7 Cb -0.14 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1ypp s ILE 7 CO 0.06 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1ypp n GLY 8 N 4.76 -2.85 3.65 6.18 0.00 -0.92 -1.00 105.19 115.01 1ypp n GLY 8 Ca -0.18 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.39 3.49 0.53 4.61 0.00 -1.26 -1.82 121.76 125.92 1ypp s ALA 9 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.98 1ypp s ALA 9 Cb 0.00 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 1ypp s ALA 9 CO 0.00 0.05 0.49 1.17 0.00 0.00 0.00 175.76 177.47 1ypp n LYS 10 N 3.78 0.51 -1.98 0.00 4.81 -1.26 -2.43 118.16 121.59 1ypp n LYS 10 Ca -0.16 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1ypp n LYS 10 Cb 0.52 -1.61 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 1ypp n LYS 10 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ypp n ASN 11 N 0.84 -3.12 -4.40 3.14 3.02 -1.26 -0.01 115.26 113.46 1ypp n ASN 11 Ca 0.11 0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.49 1ypp n ASN 11 Cb 0.46 -2.22 -0.10 0.00 -0.61 0.00 0.00 39.78 37.30 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 -2.39 1.50 -0.02 3.41 -4.23 -1.02 -4.74 115.64 108.16 1ypp s THR 12 Ca 0.00 -2.10 0.26 0.00 -1.18 0.00 0.00 61.69 58.67 1ypp s THR 12 Cb 0.00 -2.41 0.29 0.00 1.34 0.00 0.00 72.50 71.72 1ypp s THR 12 CO 0.00 -0.31 1.80 -0.07 -0.54 0.00 0.00 174.62 175.49 1ypp h LEU 13 N 2.33 0.00 0.00 4.79 -0.00 -1.97 -3.24 115.31 117.23 1ypp h LEU 13 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1ypp h LEU 13 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1ypp h LEU 13 CO 0.66 0.14 -0.22 -0.08 -0.00 0.00 0.00 178.44 178.95 1ypp h GLU 14 N 0.00 0.00 -6.37 1.13 4.81 -1.94 -3.47 114.58 108.74 1ypp h GLU 14 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.69 1ypp h GLU 14 Cb 0.78 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.18 1ypp h GLU 14 CO 0.02 0.00 1.15 -0.47 -0.73 0.00 0.00 179.01 178.98 1ypp s TYR 15 N -3.17 1.71 0.02 0.92 5.04 -1.22 -4.61 117.35 116.03 1ypp s TYR 15 Ca 0.08 -0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.58 1ypp s TYR 15 Cb 0.10 -4.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.27 1ypp s TYR 15 CO 0.66 -4.87 -0.08 0.15 -1.34 0.00 0.00 175.55 170.07 1ypp s LYS 16 N 3.88 0.60 -0.13 4.97 -0.14 -0.17 -4.34 119.74 124.41 1ypp s LYS 16 Ca 0.82 -0.52 -0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1ypp s LYS 16 Cb -0.41 -0.51 0.04 0.00 -1.68 0.00 0.00 37.83 35.27 1ypp s LYS 16 CO 0.37 0.13 0.03 0.08 -0.76 0.00 0.00 175.35 175.19 1ypp s VAL 17 N -0.72 0.35 -0.06 3.17 1.01 -0.29 -0.65 120.40 123.21 1ypp s VAL 17 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1ypp s VAL 17 Cb -0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1ypp s VAL 17 CO 0.00 0.01 0.13 -0.31 0.00 0.00 0.00 175.10 174.93 1ypp s TYR 18 N 1.96 3.48 0.03 5.22 2.02 -0.62 0.96 117.35 130.40 1ypp s TYR 18 Ca 0.02 0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.93 1ypp s TYR 18 Cb -0.15 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.50 1ypp s TYR 18 CO -0.07 0.65 0.49 0.42 -1.57 0.00 0.00 175.55 175.47 1ypp s ILE 19 N -1.14 4.89 -0.00 2.71 -1.09 -1.26 -1.28 121.20 124.03 1ypp s ILE 19 Ca 0.20 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.68 1ypp s ILE 19 Cb -0.12 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1ypp s ILE 19 CO 0.10 0.56 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.71 1ypp s GLU 20 N -1.05 2.60 -0.38 2.79 2.02 -1.09 -0.92 118.70 122.67 1ypp s GLU 20 Ca 0.26 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 1ypp s GLU 20 Cb -0.18 -2.53 0.08 0.00 0.10 0.00 0.00 34.13 31.60 1ypp s GLU 20 CO 0.16 0.61 0.16 0.21 0.02 0.00 0.00 175.26 176.42 1ypp s LYS 21 N -1.39 2.37 -1.21 1.61 2.36 -0.65 -1.94 119.74 120.87 1ypp s LYS 21 Ca 0.17 -1.50 -0.29 0.00 -2.55 0.00 0.00 55.97 51.80 1ypp s LYS 21 Cb -0.11 -3.53 0.03 0.00 -1.05 0.00 0.00 37.83 33.16 1ypp s LYS 21 CO 0.07 -0.88 0.68 -0.25 1.55 0.00 0.00 175.35 176.53 1ypp n ASP 22 N 4.73 -4.19 0.00 1.43 8.00 0.17 -0.70 116.55 125.99 1ypp n ASP 22 Ca -0.08 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1ypp n ASP 22 Cb 0.43 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.36 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 -2.00 0.95 2.94 0.44 0.00 -1.26 -5.02 105.19 101.24 1ypp n GLY 23 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 1.79 -0.36 1.61 -0.14 0.13 -5.03 119.74 117.72 1ypp s LYS 24 Ca 0.00 -0.45 -0.44 0.00 -1.36 0.00 0.00 55.97 53.72 1ypp s LYS 24 Cb 0.00 -1.90 -0.19 0.00 -1.68 0.00 0.00 37.83 34.06 1ypp s LYS 24 CO 0.00 -0.30 1.56 -2.30 -0.76 0.00 0.00 175.35 173.54 1ypp n PRO 25 N 4.86 0.32 -4.48 -1.68 -0.02 -1.26 -1.64 135.00 131.08 1ypp n PRO 25 Ca -0.14 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.20 1ypp n PRO 25 Cb 0.49 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 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 2.65 2.33 -0.51 -1.45 -7.23 -0.10 -4.46 120.40 111.64 1ypp s VAL 26 Ca 1.01 -2.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.78 1ypp s VAL 26 Cb -1.35 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 32.88 1ypp s VAL 26 CO 0.74 -0.18 1.30 -0.55 -0.31 0.00 0.00 175.10 176.10 1ypp s SER 27 N -3.65 6.37 0.64 4.85 0.15 -1.26 -4.20 113.70 116.59 1ypp s SER 27 Ca 0.34 0.43 0.25 0.00 0.70 0.00 0.00 55.95 57.67 1ypp s SER 27 Cb 0.02 -2.55 1.31 0.00 -1.71 0.00 0.00 66.02 63.10 1ypp s SER 27 CO 0.18 -1.49 1.74 0.00 1.20 0.00 0.00 173.24 174.88 1ypp h ALA 28 N 10.23 1.76 0.03 5.45 0.00 -1.72 -0.22 119.26 134.78 1ypp h ALA 28 Ca -0.26 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.29 1ypp h ALA 28 Cb 1.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1ypp h ALA 28 CO 1.14 -0.62 -2.16 0.34 0.00 0.00 0.00 179.25 177.96 1ypp n PHE 29 N -3.08 0.51 -0.06 0.00 -0.00 -1.26 -4.67 117.46 108.90 1ypp n PHE 29 Ca 0.03 0.15 -0.10 0.00 -0.00 0.00 0.00 57.45 57.52 1ypp n PHE 29 Cb 0.62 -1.08 -0.05 0.00 -0.00 0.00 0.00 39.48 38.96 1ypp n PHE 29 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1ypp n HIS 30 N -3.09 0.00 1.15 -5.13 8.25 -0.45 -0.40 115.22 115.54 1ypp n HIS 30 Ca -0.32 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.18 1ypp n HIS 30 Cb 1.07 -0.48 0.11 0.00 1.12 0.00 0.00 29.99 31.81 1ypp n HIS 30 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ypp n ASP 31 N -3.08 1.42 -4.18 0.41 8.00 -0.22 -4.76 116.55 114.15 1ypp n ASP 31 Ca -0.23 -2.02 -0.34 0.00 0.71 0.00 0.00 54.79 52.92 1ypp n ASP 31 Cb 0.72 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.66 2.42 0.22 0.53 1.01 -1.26 -4.87 121.20 117.59 1ypp s ILE 32 Ca 0.17 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.69 1ypp s ILE 32 Cb 0.09 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.42 1ypp s ILE 32 CO 0.11 0.51 1.50 -2.84 0.00 0.00 0.00 174.94 174.22 1ypp s PRO 33 N 1.30 4.24 0.17 2.79 0.02 -1.26 -4.29 135.00 137.97 1ypp s PRO 33 Ca 0.04 2.34 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 1ypp s PRO 33 Cb -0.13 -3.12 0.10 0.00 0.02 0.00 0.00 34.50 31.36 1ypp s PRO 33 CO -0.10 -0.51 1.63 1.25 -0.33 0.00 0.00 177.00 178.95 1ypp h LEU 34 N 5.72 -0.69 -9.48 -5.54 6.46 -1.89 -3.38 115.31 106.52 1ypp h LEU 34 Ca -0.45 0.16 -0.62 0.00 -0.12 0.00 0.00 57.88 56.85 1ypp h LEU 34 Cb 1.21 0.37 -0.09 0.00 -0.73 0.00 0.00 40.66 41.43 1ypp h LEU 34 CO 0.83 -0.23 -0.39 -0.31 -0.62 0.00 0.00 178.44 177.72 1ypp s TYR 35 N -6.14 3.55 -0.11 1.25 2.02 -1.26 -0.40 117.35 116.26 1ypp s TYR 35 Ca -0.14 0.59 0.20 0.00 -0.37 0.00 0.00 57.07 57.35 1ypp s TYR 35 Cb 0.15 -2.16 -0.24 0.00 -0.40 0.00 0.00 41.96 39.30 1ypp s TYR 35 CO 0.70 0.49 0.52 0.00 -1.57 0.00 0.00 175.55 175.70 1ypp n ALA 36 N 2.71 2.37 -3.12 3.71 0.00 0.27 -4.72 120.51 121.74 1ypp n ALA 36 Ca -0.16 -0.65 -0.00 0.00 0.00 0.00 0.00 53.44 52.63 1ypp n ALA 36 Cb 0.53 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 -5.02 -1.48 0.28 0.00 -1.08 -1.00 -4.98 116.67 103.40 1ypp s ASP 37 Ca -0.07 -0.99 -0.03 0.00 -0.52 0.00 0.00 52.55 50.94 1ypp s ASP 37 Cb 0.11 1.93 0.39 0.00 -1.46 0.00 0.00 42.92 43.89 1ypp s ASP 37 CO 0.86 -0.15 1.92 0.50 0.52 0.00 0.00 175.17 178.82 1ypp h LYS 38 N 6.58 1.07 -0.31 4.34 1.63 -1.84 0.58 116.57 128.61 1ypp h LYS 38 Ca 0.05 -0.10 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1ypp h LYS 38 Cb 1.16 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.54 1ypp h LYS 38 CO 0.08 0.77 0.10 1.49 -3.45 0.00 0.00 179.45 178.44 1ypp h GLU 39 N 1.09 0.23 0.00 1.90 4.57 -1.96 -2.69 114.58 117.71 1ypp h GLU 39 Ca 0.28 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 1ypp h GLU 39 Cb -0.01 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1ypp h GLU 39 CO -0.05 0.15 -0.81 -0.91 -1.18 0.00 0.00 179.01 176.21 1ypp h ASN 40 N 0.23 0.00 -3.00 1.04 2.35 -2.01 -3.49 115.58 110.71 1ypp h ASN 40 Ca 0.14 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1ypp h ASN 40 Cb 0.12 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.53 1ypp h ASN 40 CO -0.15 0.37 -0.19 0.59 -1.65 0.00 0.00 177.43 176.40 1ypp n ASN 41 N -3.00 -2.19 -4.49 5.81 5.03 0.12 -5.01 115.26 111.52 1ypp n ASN 41 Ca -0.02 -0.15 -0.38 0.00 0.87 0.00 0.00 54.58 54.89 1ypp n ASN 41 Cb 0.71 -1.63 -0.11 0.00 -1.02 0.00 0.00 39.78 37.73 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 -3.09 4.84 0.28 2.41 1.01 0.16 -4.60 121.20 122.22 1ypp s ILE 42 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1ypp s ILE 42 Cb -0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1ypp s ILE 42 CO 0.18 0.15 0.47 -0.36 0.00 0.00 0.00 174.94 175.37 1ypp s PHE 43 N 1.67 3.48 -0.24 3.97 0.08 -0.69 0.98 117.98 127.23 1ypp s PHE 43 Ca 0.06 0.31 -0.12 0.00 0.12 0.00 0.00 56.93 57.30 1ypp s PHE 43 Cb -0.16 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 1ypp s PHE 43 CO 0.08 0.26 0.23 -0.80 -0.10 0.00 0.00 175.22 174.88 1ypp s ASN 44 N -3.70 6.19 -0.08 1.36 0.01 0.46 -1.76 114.94 117.43 1ypp s ASN 44 Ca 0.39 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.76 1ypp s ASN 44 Cb -0.10 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1ypp s ASN 44 CO 0.32 0.01 -0.12 -0.32 -1.51 0.00 0.00 177.10 175.48 1ypp s MET 45 N 1.21 2.82 -0.27 -0.60 1.75 0.13 -4.21 119.30 120.13 1ypp s MET 45 Ca 0.10 -0.67 -0.11 0.00 -1.25 0.00 0.00 55.69 53.77 1ypp s MET 45 Cb -0.14 -2.50 -0.05 0.00 2.84 0.00 0.00 34.83 34.98 1ypp s MET 45 CO 0.06 0.50 0.18 0.08 -0.65 0.00 0.00 175.02 175.19 1ypp s VAL 46 N -0.40 5.29 -0.16 10.11 1.01 0.49 -1.53 120.40 135.19 1ypp s VAL 46 Ca 0.05 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 1ypp s VAL 46 Cb -0.12 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1ypp s VAL 46 CO 0.02 0.27 0.82 -0.69 0.00 0.00 0.00 175.10 175.51 1ypp s VAL 47 N 1.66 4.90 -0.26 2.92 1.01 -0.66 0.42 120.40 130.39 1ypp s VAL 47 Ca 0.07 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 1ypp s VAL 47 Cb -0.16 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1ypp s VAL 47 CO 0.10 0.04 -0.34 -0.62 0.00 0.00 0.00 175.10 174.28 1ypp n GLU 48 N 5.13 0.58 -4.48 2.72 1.02 0.94 -0.48 120.64 126.08 1ypp n GLU 48 Ca 0.04 0.27 -0.32 0.00 -0.02 0.00 0.00 57.16 57.13 1ypp n GLU 48 Cb 0.49 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.55 1.91 0.71 -3.67 1.01 -0.51 -4.53 121.20 113.58 1ypp s ILE 49 Ca -0.37 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.25 1ypp s ILE 49 Cb 0.13 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1ypp s ILE 49 CO 0.48 0.52 1.16 -2.84 0.00 0.00 0.00 174.94 174.27 1ypp s PRO 50 N 0.99 2.33 0.37 2.79 0.02 -1.26 -0.54 135.00 139.70 1ypp s PRO 50 Ca -0.04 1.58 -0.28 0.00 0.02 0.00 0.00 61.00 62.29 1ypp s PRO 50 Cb -0.15 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 1ypp s PRO 50 CO -0.05 -1.65 1.40 0.50 -0.33 0.00 0.00 177.00 176.88 1ypp s ARG 51 N -4.06 4.13 -1.44 5.54 3.52 -1.23 -3.09 118.95 122.32 1ypp s ARG 51 Ca 0.70 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.70 1ypp s ARG 51 Cb -0.25 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1ypp s ARG 51 CO 0.45 -0.44 0.00 0.91 -0.81 0.00 0.00 175.30 175.40 1ypp n TRP 52 N 0.47 -0.76 -4.09 5.12 8.01 1.00 -4.90 117.44 122.30 1ypp n TRP 52 Ca 0.01 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.96 1ypp n TRP 52 Cb 0.41 -3.36 -0.07 0.00 -2.01 0.00 0.00 31.31 26.28 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 -2.82 2.30 0.00 -0.99 -4.23 -1.18 -4.71 115.64 104.00 1ypp s THR 53 Ca 0.00 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1ypp s THR 53 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1ypp s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 1ypp n ASN 54 N -1.28 3.94 -4.62 3.99 4.13 -1.26 -1.06 115.26 119.09 1ypp n ASN 54 Ca -0.01 0.00 -0.50 0.00 1.68 0.00 0.00 54.58 55.76 1ypp n ASN 54 Cb 0.64 0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 39.26 1ypp n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ypp n ALA 55 N -1.63 -0.06 -2.72 5.41 0.00 -1.26 -0.55 120.51 119.70 1ypp n ALA 55 Ca 0.00 0.49 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 1ypp n ALA 55 Cb 0.36 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1ypp n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ypp n LYS 56 N 2.81 3.81 -2.43 0.00 0.00 -0.90 -4.83 118.16 116.62 1ypp n LYS 56 Ca 0.18 -3.95 -0.41 0.00 0.00 0.00 0.00 58.31 54.13 1ypp n LYS 56 Cb 0.23 -2.80 -0.04 0.00 0.00 0.00 0.00 35.03 32.43 1ypp n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ypp s LEU 57 N -0.68 4.51 0.00 3.14 2.01 -1.26 -0.72 118.68 125.67 1ypp s LEU 57 Ca 0.37 2.25 -0.08 0.00 0.01 0.00 0.00 54.13 56.68 1ypp s LEU 57 Cb 0.04 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1ypp s LEU 57 CO 0.02 -0.24 0.15 -1.61 1.01 0.00 0.00 176.35 175.69 1ypp s GLU 58 N -0.95 0.50 -0.20 1.70 2.02 0.88 -4.60 118.70 118.05 1ypp s GLU 58 Ca 0.48 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.79 1ypp s GLU 58 Cb -0.32 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1ypp s GLU 58 CO 0.39 -0.12 1.23 0.42 0.02 0.00 0.00 175.26 177.20 1ypp s ILE 59 N -1.38 4.33 -0.52 -1.63 1.01 -1.26 0.72 121.20 122.47 1ypp s ILE 59 Ca -0.15 1.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.83 1ypp s ILE 59 Cb -0.07 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1ypp s ILE 59 CO 0.02 -0.21 1.03 0.28 0.00 0.00 0.00 174.94 176.07 1ypp s THR 60 N 3.59 4.29 0.26 2.92 -1.32 -0.24 -4.92 115.64 120.23 1ypp s THR 60 Ca 0.53 0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 61.73 1ypp s THR 60 Cb -0.20 -4.57 0.25 0.00 -1.51 0.00 0.00 72.50 66.47 1ypp s THR 60 CO 0.14 -1.07 1.81 0.11 -2.21 0.00 0.00 174.62 173.41 1ypp h LYS 61 N 9.29 0.83 -0.64 7.08 1.57 -1.90 -3.01 116.57 129.78 1ypp h LYS 61 Ca -0.25 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1ypp h LYS 61 Cb 1.07 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1ypp h LYS 61 CO 1.10 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 180.92 1ypp n GLU 62 N -4.71 3.08 -4.16 3.15 4.71 -1.26 -1.80 120.64 119.64 1ypp n GLU 62 Ca 0.16 -2.44 -0.26 0.00 -0.01 0.00 0.00 57.16 54.61 1ypp n GLU 62 Cb 0.33 -1.71 -0.07 0.00 -1.01 0.00 0.00 31.44 28.98 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 -1.57 2.59 -0.05 3.49 2.02 -1.14 -4.79 118.70 119.25 1ypp s GLU 63 Ca 0.44 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1ypp s GLU 63 Cb 0.27 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1ypp s GLU 63 CO 0.24 0.47 1.24 0.99 0.02 0.00 0.00 175.26 178.22 1ypp s THR 64 N -1.74 4.14 -0.68 3.63 2.01 -1.26 -2.78 115.64 118.97 1ypp s THR 64 Ca 0.29 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1ypp s THR 64 Cb -0.10 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1ypp s THR 64 CO 0.20 -0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.31 1ypp n LEU 65 N 5.28 -0.74 -2.75 4.42 4.32 -1.26 -4.39 117.00 121.88 1ypp n LEU 65 Ca 0.11 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1ypp n LEU 65 Cb 0.46 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1ypp n LEU 65 CO 0.56 -0.27 0.00 0.59 -1.22 0.00 0.00 177.39 177.05 1ypp n ASN 66 N 0.84 0.00 -4.64 -1.43 4.13 -1.12 -3.59 115.26 109.45 1ypp n ASN 66 Ca -0.07 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.89 1ypp n ASN 66 Cb 0.32 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 38.74 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 -2.87 0.68 -0.15 3.52 0.04 -1.26 -4.15 135.00 130.80 1ypp s PRO 67 Ca 0.00 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1ypp s PRO 67 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1ypp s PRO 67 CO 0.00 -2.77 0.50 0.42 0.04 0.00 0.00 177.00 175.19 1ypp s ILE 68 N -2.66 5.15 0.13 0.56 1.01 0.27 -1.07 121.20 124.58 1ypp s ILE 68 Ca 0.66 0.97 0.04 0.00 0.00 0.00 0.00 60.65 62.33 1ypp s ILE 68 Cb -0.22 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ypp s ILE 68 CO 0.59 0.25 -0.11 0.27 0.00 0.00 0.00 174.94 175.95 1ypp s ILE 69 N 1.10 1.11 0.08 2.92 -4.36 0.22 -1.13 121.20 121.14 1ypp s ILE 69 Ca 0.25 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 1ypp s ILE 69 Cb -0.15 -1.66 -0.06 0.00 1.25 0.00 0.00 42.46 41.84 1ypp s ILE 69 CO 0.10 -0.65 1.09 -1.58 0.24 0.00 0.00 174.94 174.14 1ypp s GLN 70 N -3.33 4.53 0.69 0.37 0.74 -1.26 -0.09 119.66 121.32 1ypp s GLN 70 Ca 0.12 1.64 -0.16 0.00 0.05 0.00 0.00 55.36 57.01 1ypp s GLN 70 Cb 0.00 -3.36 0.02 0.00 1.10 0.00 0.00 33.01 30.77 1ypp s GLN 70 CO 0.01 -0.07 1.21 0.34 -0.55 0.00 0.00 175.29 176.23 1ypp s ASP 71 N 0.62 4.49 0.09 6.67 2.15 0.10 -4.83 116.67 125.95 1ypp s ASP 71 Ca 0.53 2.36 0.08 0.00 0.43 0.00 0.00 52.55 55.95 1ypp s ASP 71 Cb -0.27 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.73 1ypp s ASP 71 CO 0.31 -2.06 -0.20 0.42 -0.17 0.00 0.00 175.17 173.46 1ypp s THR 72 N -1.88 1.64 -0.08 1.71 -4.23 -1.26 0.22 115.64 111.76 1ypp s THR 72 Ca 0.75 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1ypp s THR 72 Cb -0.29 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.09 1ypp s THR 72 CO 0.42 -0.01 -0.07 0.00 -0.54 0.00 0.00 174.62 174.42 1ypp s ALA 73 N -1.08 1.04 -1.30 3.99 0.00 0.11 -4.83 121.76 119.70 1ypp s ALA 73 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1ypp s ALA 73 Cb -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 1ypp s ALA 73 CO 0.03 -0.19 0.67 1.63 0.00 0.00 0.00 175.76 177.91 1ypp n LYS 74 N 4.46 -4.22 -0.41 0.00 5.02 -1.26 -0.48 118.16 121.27 1ypp n LYS 74 Ca -0.17 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1ypp n LYS 74 Cb 0.51 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 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 -1.63 1.58 3.58 0.72 0.00 -1.26 -4.99 105.19 103.19 1ypp n GLY 75 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.11 2.26 0.08 1.61 1.02 0.36 -5.08 119.74 119.89 1ypp s LYS 76 Ca 0.00 -0.93 -0.36 0.00 0.02 0.00 0.00 55.97 54.70 1ypp s LYS 76 Cb 0.00 -2.36 -0.15 0.00 -0.52 0.00 0.00 37.83 34.79 1ypp s LYS 76 CO 0.00 0.54 1.47 1.28 -0.92 0.00 0.00 175.35 177.72 1ypp n LEU 77 N 0.99 2.27 -4.83 3.17 4.77 -1.26 0.10 117.00 122.20 1ypp n LEU 77 Ca -0.14 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.56 1ypp n LEU 77 Cb 0.52 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 1ypp n LEU 77 CO 0.32 -0.70 0.15 -0.60 -1.33 0.00 0.00 177.39 175.23 1ypp s ARG 78 N 1.03 3.97 -0.00 3.23 3.52 0.13 -4.73 118.95 126.10 1ypp s ARG 78 Ca 0.84 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1ypp s ARG 78 Cb -0.86 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1ypp s ARG 78 CO 0.45 0.66 -0.00 -0.06 -0.81 0.00 0.00 175.30 175.55 1ypp s PHE 79 N -1.12 0.05 0.20 5.12 0.40 -1.26 -2.11 117.98 119.25 1ypp s PHE 79 Ca 0.26 0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.43 1ypp s PHE 79 Cb -0.17 -0.05 -0.08 0.00 0.51 0.00 0.00 43.02 43.23 1ypp s PHE 79 CO 0.15 -0.01 0.64 0.08 0.70 0.00 0.00 175.22 176.78 1ypp s VAL 80 N 0.11 4.71 0.23 -0.44 1.01 0.29 -4.89 120.40 121.42 1ypp s VAL 80 Ca -0.01 1.04 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 1ypp s VAL 80 Cb -0.02 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 1ypp s VAL 80 CO -0.00 0.19 0.73 -0.13 0.00 0.00 0.00 175.10 175.88 1ypp s ARG 81 N -2.05 4.23 0.02 2.72 1.81 -1.26 -4.80 118.95 119.62 1ypp s ARG 81 Ca 0.41 0.86 -0.30 0.00 -1.72 0.00 0.00 55.73 54.98 1ypp s ARG 81 Cb -0.15 -2.85 -0.05 0.00 -0.45 0.00 0.00 34.95 31.45 1ypp s ARG 81 CO 0.20 0.38 1.30 -0.80 -0.68 0.00 0.00 175.30 175.70 1ypp s ASN 82 N -1.70 6.95 -0.23 0.23 0.01 -1.26 -4.75 114.94 114.19 1ypp s ASN 82 Ca 0.44 2.06 0.02 0.00 -0.71 0.00 0.00 52.86 54.67 1ypp s ASN 82 Cb -0.16 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 38.98 1ypp s ASN 82 CO 0.21 -0.61 -0.11 0.00 -1.51 0.00 0.00 177.10 175.07 1ypp n PHE 84 N 4.56 0.57 0.57 0.00 7.35 -0.40 -1.27 117.46 128.83 1ypp n PHE 84 Ca -0.15 0.90 0.06 0.00 -0.76 0.00 0.00 57.45 57.49 1ypp n PHE 84 Cb 0.45 -2.12 0.18 0.00 0.35 0.00 0.00 39.48 38.34 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 1.46 2.20 -2.82 -7.13 -0.05 -1.26 -4.74 135.00 122.66 1ypp n PRO 85 Ca 0.18 -1.46 -0.31 0.00 -0.05 0.00 0.00 63.50 61.86 1ypp n PRO 85 Cb 0.19 -1.46 -0.04 0.00 -0.05 0.00 0.00 33.50 32.14 1ypp n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1ypp s HIS 86 N -1.60 3.46 -0.35 0.54 3.76 -0.40 -5.07 115.29 115.62 1ypp s HIS 86 Ca 0.27 1.13 0.02 0.00 -0.15 0.00 0.00 55.06 56.33 1ypp s HIS 86 Cb 0.16 -2.51 0.11 0.00 1.11 0.00 0.00 32.58 31.45 1ypp s HIS 86 CO 0.15 -0.12 0.10 -1.58 -0.85 0.00 0.00 174.74 172.44 1ypp s HIS 87 N -2.36 2.81 0.00 1.40 2.46 -1.26 -3.39 115.29 114.94 1ypp s HIS 87 Ca 0.53 -2.51 0.00 0.00 0.47 0.00 0.00 55.06 53.55 1ypp s HIS 87 Cb -0.10 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.96 1ypp s HIS 87 CO 0.30 -0.89 0.00 0.41 -2.47 0.00 0.00 174.74 172.08 1ypp n GLY 88 N 4.31 1.58 3.71 1.59 0.00 -1.26 -4.09 105.19 111.03 1ypp n GLY 88 Ca 0.02 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 3.56 -1.65 1.61 2.02 -0.23 -4.81 117.35 117.85 1ypp s TYR 89 Ca 0.00 1.51 0.12 0.00 -0.37 0.00 0.00 57.07 58.33 1ypp s TYR 89 Cb 0.00 -3.27 0.41 0.00 -0.40 0.00 0.00 41.96 38.70 1ypp s TYR 89 CO 0.00 -0.63 1.30 0.44 -1.57 0.00 0.00 175.55 175.09 1ypp n ILE 90 N 3.76 0.83 -3.95 2.71 -5.35 -1.26 0.33 119.36 116.44 1ypp n ILE 90 Ca 0.07 -0.64 -0.08 0.00 -0.27 0.00 0.00 62.75 61.83 1ypp n ILE 90 Cb 0.48 0.13 -0.09 0.00 -1.74 0.00 0.00 39.64 38.43 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 -1.57 0.29 -0.08 4.28 3.76 -1.26 -4.94 115.29 115.78 1ypp s HIS 91 Ca 0.30 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 1ypp s HIS 91 Cb 0.17 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.66 1ypp s HIS 91 CO 0.17 -0.46 1.01 -0.80 -0.85 0.00 0.00 174.74 173.81 1ypp s ASN 92 N -2.76 7.27 -0.00 1.40 0.01 -0.84 -3.58 114.94 116.44 1ypp s ASN 92 Ca 0.04 1.57 0.08 0.00 -0.71 0.00 0.00 52.86 53.84 1ypp s ASN 92 Cb 0.05 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ypp s ASN 92 CO -0.10 -0.41 -0.25 -0.47 -1.51 0.00 0.00 177.10 174.37 1ypp s TYR 93 N 1.77 2.22 0.00 2.20 6.14 0.30 -1.04 117.35 128.94 1ypp s TYR 93 Ca 0.49 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.79 1ypp s TYR 93 Cb -0.19 -1.40 0.00 0.00 0.42 0.00 0.00 41.96 40.79 1ypp s TYR 93 CO 0.20 0.01 0.00 0.41 0.64 0.00 0.00 175.55 176.81 1ypp n GLY 94 N 2.28 1.61 3.68 8.97 0.00 -0.88 -0.04 105.19 120.80 1ypp n GLY 94 Ca -0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.50 -0.23 4.61 0.00 0.17 -1.75 121.76 123.07 1ypp s ALA 95 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 1ypp s ALA 95 Cb 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 1ypp s ALA 95 CO 0.00 -0.92 0.30 -0.06 0.00 0.00 0.00 175.76 175.09 1ypp s PHE 96 N -3.79 3.33 0.99 0.00 0.08 -1.10 0.18 117.98 117.68 1ypp s PHE 96 Ca 0.19 0.42 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1ypp s PHE 96 Cb -0.03 -2.44 0.19 0.00 -0.57 0.00 0.00 43.02 40.17 1ypp s PHE 96 CO 0.09 -0.03 1.09 -1.25 -0.10 0.00 0.00 175.22 175.03 1ypp s PRO 97 N 1.36 0.44 -1.40 0.24 0.04 -1.26 -3.63 135.00 130.79 1ypp s PRO 97 Ca 0.14 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 1ypp s PRO 97 Cb -0.15 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1ypp s PRO 97 CO 0.07 -2.87 0.62 1.04 0.04 0.00 0.00 177.00 175.90 1ypp n GLN 98 N -4.35 -4.17 -4.25 4.56 6.02 0.46 -4.42 117.38 111.24 1ypp n GLN 98 Ca 0.07 0.60 -0.19 0.00 -0.01 0.00 0.00 57.00 57.47 1ypp n GLN 98 Cb 0.54 -5.38 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 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 -3.06 1.40 -0.14 5.09 -4.23 -1.24 -4.42 115.64 109.04 1ypp s THR 99 Ca 0.43 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.24 1ypp s THR 99 Cb -0.22 -1.49 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1ypp s THR 99 CO 0.54 -0.32 0.30 0.86 -0.54 0.00 0.00 174.62 175.45 1ypp s TRP 100 N -1.85 -0.46 -0.83 3.99 -0.00 -0.25 -3.95 118.94 115.59 1ypp s TRP 100 Ca 0.07 1.02 -0.20 0.00 -0.00 0.00 0.00 56.10 57.00 1ypp s TRP 100 Cb -0.07 0.10 0.11 0.00 -0.00 0.00 0.00 33.47 33.61 1ypp s TRP 100 CO 0.03 -0.32 1.05 -1.21 -0.00 0.00 0.00 176.95 176.51 1ypp s GLU 101 N 1.77 3.42 -0.16 5.86 0.41 -0.50 -4.42 118.70 125.08 1ypp s GLU 101 Ca -0.05 -1.45 -0.33 0.00 -0.41 0.00 0.00 54.97 52.72 1ypp s GLU 101 Cb -0.11 -4.67 -0.10 0.00 -1.78 0.00 0.00 34.13 27.47 1ypp s GLU 101 CO -0.10 -1.77 2.01 -3.47 -0.49 0.00 0.00 175.26 171.44 1ypp n ASP 102 N 6.90 3.21 -0.01 -0.19 -0.08 -1.26 -1.83 116.55 123.29 1ypp n ASP 102 Ca 0.14 0.71 -0.10 0.00 -1.51 0.00 0.00 54.79 54.03 1ypp n ASP 102 Cb 0.48 -1.40 0.05 0.00 2.34 0.00 0.00 41.12 42.59 1ypp n ASP 102 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ypp h PRO 103 N 11.04 0.61 0.00 -0.67 0.13 -1.92 0.20 132.00 141.39 1ypp h PRO 103 Ca -0.43 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1ypp h PRO 103 Cb 1.27 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ypp h PRO 103 CO 0.96 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.80 1ypp n ASN 104 N -3.99 0.02 -4.07 1.44 3.02 -1.26 -4.38 115.26 106.03 1ypp n ASN 104 Ca -0.03 0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 54.88 1ypp n ASN 104 Cb 0.58 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 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 -3.01 0.67 -0.82 2.41 1.01 -1.06 -5.05 120.40 114.56 1ypp s VAL 105 Ca 0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1ypp s VAL 105 Cb 0.07 -0.69 0.14 0.00 0.00 0.00 0.00 36.38 35.90 1ypp s VAL 105 CO 0.20 -0.24 0.97 -0.55 0.00 0.00 0.00 175.10 175.48 1ypp s SER 106 N -1.34 6.52 0.13 3.32 0.15 -1.26 -2.61 113.70 118.60 1ypp s SER 106 Ca -0.06 -1.94 -0.33 0.00 0.70 0.00 0.00 55.95 54.32 1ypp s SER 106 Cb -0.09 -2.35 -0.13 0.00 -1.71 0.00 0.00 66.02 61.75 1ypp s SER 106 CO 0.01 -1.03 1.67 1.41 1.20 0.00 0.00 173.24 176.50 1ypp n HIS 107 N 6.17 2.39 0.30 3.44 8.25 -1.10 -4.69 115.22 129.98 1ypp n HIS 107 Ca 0.13 0.15 0.19 0.00 -0.26 0.00 0.00 57.72 57.93 1ypp n HIS 107 Cb 0.47 -2.60 1.00 0.00 1.12 0.00 0.00 29.99 29.98 1ypp n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ypp h PRO 108 N 6.82 0.00 0.06 -0.41 0.13 -1.95 -0.29 132.00 136.37 1ypp h PRO 108 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1ypp h PRO 108 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ypp h PRO 108 CO 0.91 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 179.05 1ypp h GLU 109 N 0.00 0.13 0.00 0.86 4.39 -1.97 -3.37 114.58 114.62 1ypp h GLU 109 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ypp h GLU 109 Cb 0.08 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1ypp h GLU 109 CO 0.00 1.11 -0.90 0.25 -1.16 0.00 0.00 179.01 178.30 1ypp n THR 110 N -4.35 0.44 -2.94 1.13 -2.24 -1.22 -4.95 114.28 100.15 1ypp n THR 110 Ca -0.15 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.04 1ypp n THR 110 Cb 0.67 -0.17 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1ypp n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ypp n LYS 111 N -2.36 -4.32 -3.76 -0.78 5.02 -0.12 -5.02 118.16 106.83 1ypp n LYS 111 Ca 0.01 0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1ypp n LYS 111 Cb 0.49 -5.26 -0.07 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.09 -0.69 0.90 7.82 0.00 -1.22 -4.89 121.76 120.60 1ypp s ALA 112 Ca 0.28 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.17 1ypp s ALA 112 Cb -0.12 0.29 0.13 0.00 0.00 0.00 0.00 23.12 23.42 1ypp s ALA 112 CO 0.34 -0.39 1.13 0.14 0.00 0.00 0.00 175.76 176.97 1ypp s VAL 113 N -2.41 2.34 0.88 0.00 -7.23 -1.24 -2.72 120.40 110.02 1ypp s VAL 113 Ca -0.06 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1ypp s VAL 113 Cb -0.01 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.80 1ypp s VAL 113 CO -0.02 -0.15 1.15 -0.83 -0.31 0.00 0.00 175.10 174.94 1ypp s GLY 114 N -2.84 1.58 -0.12 2.32 0.00 0.69 -0.47 107.32 108.47 1ypp s GLY 114 Ca 0.66 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.90 1ypp s GLY 114 CO 0.58 -0.02 1.20 2.09 0.00 0.00 0.00 173.10 176.94 1ypp n ASP 115 N -3.63 3.55 -3.50 1.64 5.75 -0.70 -3.95 116.55 115.72 1ypp n ASP 115 Ca 0.07 -2.49 -0.23 0.00 -0.01 0.00 0.00 54.79 52.13 1ypp n ASP 115 Cb 0.60 -0.59 0.05 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.36 -5.96 -3.59 -1.12 5.15 -0.76 -5.00 115.26 104.35 1ypp n ASN 116 Ca 0.15 -0.84 -0.06 0.00 -0.60 0.00 0.00 54.58 53.24 1ypp n ASN 116 Cb 0.75 -4.06 -0.02 0.00 -0.53 0.00 0.00 39.78 35.92 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 -3.38 -0.25 0.52 1.20 1.01 -1.25 -4.93 116.67 109.58 1ypp s ASP 117 Ca 0.42 -0.12 -0.20 0.00 0.71 0.00 0.00 52.55 53.36 1ypp s ASP 117 Cb -0.12 0.35 -0.09 0.00 1.01 0.00 0.00 42.92 44.08 1ypp s ASP 117 CO 0.81 -0.61 0.64 -2.65 0.21 0.00 0.00 175.17 173.58 1ypp n PRO 118 N -0.30 0.67 -1.97 8.23 -0.02 -1.25 -1.41 135.00 138.95 1ypp n PRO 118 Ca -0.07 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 1ypp n PRO 118 Cb 0.61 -1.76 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.59 2.79 -0.15 4.25 2.07 -1.26 -4.79 121.20 122.52 1ypp s ILE 119 Ca 0.68 0.46 -0.08 0.00 -1.41 0.00 0.00 60.65 60.30 1ypp s ILE 119 Cb -0.49 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 38.93 1ypp s ILE 119 CO 0.54 -0.13 0.13 -1.81 -1.91 0.00 0.00 174.94 171.76 1ypp s ASP 120 N -1.81 6.29 -0.09 4.50 1.01 -1.22 -2.71 116.67 122.64 1ypp s ASP 120 Ca 0.75 0.37 0.04 0.00 0.71 0.00 0.00 52.55 54.42 1ypp s ASP 120 Cb -0.27 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.59 1ypp s ASP 120 CO 0.34 0.33 -0.24 -0.69 0.21 0.00 0.00 175.17 175.12 1ypp s VAL 121 N -0.52 2.02 -0.42 -1.27 1.01 -0.72 0.54 120.40 121.05 1ypp s VAL 121 Ca 0.12 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1ypp s VAL 121 Cb -0.12 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1ypp s VAL 121 CO 0.02 0.55 0.49 -0.76 0.00 0.00 0.00 175.10 175.40 1ypp s LEU 122 N 0.25 4.73 -0.35 3.92 1.43 0.18 -2.08 118.68 126.77 1ypp s LEU 122 Ca -0.16 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 1ypp s LEU 122 Cb -0.17 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1ypp s LEU 122 CO 0.08 -0.61 0.22 -0.70 0.23 0.00 0.00 176.35 175.57 1ypp s GLU 123 N 2.31 3.19 -0.05 1.70 -6.30 -0.20 -1.47 118.70 117.87 1ypp s GLU 123 Ca 0.15 -0.84 0.12 0.00 -2.50 0.00 0.00 54.97 51.90 1ypp s GLU 123 Cb -0.16 -3.76 0.43 0.00 0.00 0.00 0.00 34.13 30.64 1ypp s GLU 123 CO 0.15 -0.56 1.31 0.44 0.02 0.00 0.00 175.26 176.62 1ypp n ILE 124 N 5.06 0.95 -0.46 -3.70 -5.35 -0.95 -1.99 119.36 112.92 1ypp n ILE 124 Ca -0.12 -0.68 -0.29 0.00 -0.27 0.00 0.00 62.75 61.38 1ypp n ILE 124 Cb 0.48 0.08 0.27 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.83 1.49 0.20 3.28 0.00 -1.26 -4.93 107.32 105.27 1ypp s GLY 125 Ca 0.31 -0.37 0.23 0.00 0.00 0.00 0.00 44.72 44.89 1ypp s GLY 125 CO 0.17 0.46 1.24 1.05 0.00 0.00 0.00 173.10 176.02 1ypp h GLU 126 N -2.95 0.00 -6.03 2.90 4.11 -1.97 -3.46 114.58 107.18 1ypp h GLU 126 Ca -0.57 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.26 1ypp h GLU 126 Cb 1.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 1ypp h GLU 126 CO 0.44 0.00 -0.24 0.99 0.07 0.00 0.00 179.01 180.26 1ypp s THR 127 N -3.26 5.10 0.00 -1.06 2.01 -1.26 -5.03 115.64 112.13 1ypp s THR 127 Ca 0.03 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1ypp s THR 127 Cb 0.11 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1ypp s THR 127 CO 0.74 0.45 0.98 -0.63 -0.69 0.00 0.00 174.62 175.47 1ypp s ILE 128 N -1.23 4.85 0.76 1.82 1.01 -1.26 -4.95 121.20 122.20 1ypp s ILE 128 Ca 0.27 2.05 -0.13 0.00 0.00 0.00 0.00 60.65 62.85 1ypp s ILE 128 Cb -0.15 -4.32 0.18 0.00 0.01 0.00 0.00 42.46 38.18 1ypp s ILE 128 CO 0.15 0.16 0.93 0.00 0.00 0.00 0.00 174.94 176.18 1ypp n ALA 129 N 3.88 -1.46 -2.37 9.38 0.00 -1.26 -4.97 120.51 123.72 1ypp n ALA 129 Ca 0.06 -1.24 -0.19 0.00 0.00 0.00 0.00 53.44 52.07 1ypp n ALA 129 Cb 0.51 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.95 1.77 0.04 0.00 -0.85 -1.26 -4.60 117.35 109.50 1ypp s TYR 130 Ca 0.54 -0.61 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 1ypp s TYR 130 Cb -0.02 -0.87 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 1ypp s TYR 130 CO 0.39 0.33 1.05 0.99 -1.52 0.00 0.00 175.55 176.79 1ypp s THR 131 N -2.99 4.51 0.00 -3.49 2.01 -1.26 -3.33 115.64 111.09 1ypp s THR 131 Ca 0.24 1.86 0.00 0.00 0.31 0.00 0.00 61.69 64.10 1ypp s THR 131 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1ypp s THR 131 CO 0.08 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1ypp n GLY 132 N 2.86 0.44 3.75 4.40 0.00 0.37 -5.02 105.19 111.98 1ypp n GLY 132 Ca 0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1ypp n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ypp s GLN 133 N -1.10 4.38 -0.22 1.61 0.74 -1.21 -4.76 119.66 119.10 1ypp s GLN 133 Ca 0.00 0.84 -0.12 0.00 0.05 0.00 0.00 55.36 56.12 1ypp s GLN 133 Cb 0.00 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 1ypp s GLN 133 CO 0.00 0.29 0.24 0.08 -0.55 0.00 0.00 175.29 175.35 1ypp s VAL 134 N 0.01 5.31 0.06 1.34 1.01 -1.26 -1.65 120.40 125.23 1ypp s VAL 134 Ca 0.34 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.78 1ypp s VAL 134 Cb -0.19 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ypp s VAL 134 CO 0.19 0.32 -0.26 -1.59 0.00 0.00 0.00 175.10 173.76 1ypp s LYS 135 N 1.07 1.70 -0.13 2.72 -2.85 -0.58 -4.94 119.74 116.73 1ypp s LYS 135 Ca 0.12 -1.14 -0.13 0.00 -1.00 0.00 0.00 55.97 53.81 1ypp s LYS 135 Cb -0.14 -1.93 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 1ypp s LYS 135 CO 0.05 0.49 0.29 -0.65 0.10 0.00 0.00 175.35 175.63 1ypp s GLN 136 N -1.38 4.11 0.22 1.78 1.11 -1.26 -0.70 119.66 123.54 1ypp s GLN 136 Ca 0.12 0.11 0.00 0.00 0.01 0.00 0.00 55.36 55.60 1ypp s GLN 136 Cb -0.10 -3.37 -0.05 0.00 -1.01 0.00 0.00 33.01 28.49 1ypp s GLN 136 CO 0.03 0.37 0.10 0.14 0.01 0.00 0.00 175.29 175.93 1ypp s VAL 137 N 0.07 0.34 -0.12 1.09 -7.23 -0.72 -2.28 120.40 111.55 1ypp s VAL 137 Ca 0.17 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1ypp s VAL 137 Cb -0.13 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1ypp s VAL 137 CO 0.05 -0.07 -0.22 -1.59 -0.31 0.00 0.00 175.10 172.95 1ypp s LYS 138 N -4.07 3.05 0.35 4.82 -2.85 -0.84 -1.71 119.74 118.49 1ypp s LYS 138 Ca 0.36 -0.86 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 1ypp s LYS 138 Cb 0.07 -2.39 -0.11 0.00 -2.06 0.00 0.00 37.83 33.35 1ypp s LYS 138 CO 0.11 0.07 1.39 0.00 0.10 0.00 0.00 175.35 177.02 1ypp s ALA 139 N 0.62 3.54 -0.03 0.59 0.00 -1.26 -2.85 121.76 122.36 1ypp s ALA 139 Ca -0.12 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.26 1ypp s ALA 139 Cb -0.17 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1ypp s ALA 139 CO 0.03 -0.83 0.04 1.28 0.00 0.00 0.00 175.76 176.28 1ypp n LEU 140 N 0.70 0.03 0.00 0.00 4.77 0.14 -4.86 117.00 117.78 1ypp n LEU 140 Ca 0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1ypp n LEU 140 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ypp n LEU 140 CO 0.61 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1ypp n GLY 141 N 1.77 -1.64 3.38 -0.72 0.00 -1.17 -1.28 105.19 105.54 1ypp n GLY 141 Ca -0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.40 0.02 -0.05 -0.61 2.07 0.24 -1.37 121.20 119.10 1ypp s ILE 142 Ca 0.00 -0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.10 1ypp s ILE 142 Cb 0.00 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1ypp s ILE 142 CO 0.00 -0.10 -0.19 -0.04 -1.91 0.00 0.00 174.94 172.70 1ypp s MET 143 N -0.83 2.51 -1.02 3.50 -1.94 0.73 0.37 119.30 122.61 1ypp s MET 143 Ca -0.09 -0.79 -0.15 0.00 -1.71 0.00 0.00 55.69 52.95 1ypp s MET 143 Cb -0.03 -2.29 0.18 0.00 2.01 0.00 0.00 34.83 34.70 1ypp s MET 143 CO 0.05 0.53 1.16 0.00 -0.01 0.00 0.00 175.02 176.75 1ypp s ALA 144 N -0.49 3.86 -0.06 3.03 0.00 -1.26 -0.12 121.76 126.72 1ypp s ALA 144 Ca 0.06 -3.18 -0.30 0.00 0.00 0.00 0.00 51.96 48.54 1ypp s ALA 144 Cb -0.12 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 1ypp s ALA 144 CO 0.01 -2.70 1.03 -1.17 0.00 0.00 0.00 175.76 172.93 1ypp s LEU 145 N 1.41 4.30 -0.65 0.00 2.96 -1.22 -0.06 118.68 125.42 1ypp s LEU 145 Ca 0.33 1.63 -0.13 0.00 -0.22 0.00 0.00 54.13 55.74 1ypp s LEU 145 Cb -0.06 -3.56 0.17 0.00 0.50 0.00 0.00 46.19 43.24 1ypp s LEU 145 CO -0.06 -0.40 0.58 -0.76 -1.32 0.00 0.00 176.35 174.38 1ypp s LEU 146 N 1.65 6.26 -0.75 -0.68 1.43 0.72 -0.83 118.68 126.49 1ypp s LEU 146 Ca 0.51 -2.25 -0.18 0.00 -1.03 0.00 0.00 54.13 51.17 1ypp s LEU 146 Cb -0.21 -2.15 0.13 0.00 0.03 0.00 0.00 46.19 44.00 1ypp s LEU 146 CO 0.22 -0.68 0.88 -0.62 0.23 0.00 0.00 176.35 176.38 1ypp s ASP 147 N 2.65 6.44 -0.51 2.29 2.15 -0.34 -3.14 116.67 126.21 1ypp s ASP 147 Ca 0.10 -1.83 -0.03 0.00 0.43 0.00 0.00 52.55 51.22 1ypp s ASP 147 Cb -0.21 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1ypp s ASP 147 CO -0.03 -1.03 0.43 -0.62 -0.17 0.00 0.00 175.17 173.75 1ypp n GLU 148 N 6.09 -2.90 -0.56 4.34 1.02 -1.26 -3.34 120.64 124.04 1ypp n GLU 148 Ca 0.06 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ypp n GLU 148 Cb 0.46 -3.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.11 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 -1.06 1.70 3.87 0.62 0.00 -1.26 -5.03 105.19 104.03 1ypp n GLY 149 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 3.49 0.01 1.61 2.02 -1.21 -4.66 118.70 119.89 1ypp s GLU 150 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 1ypp s GLU 150 Cb 0.00 -3.20 -0.07 0.00 0.10 0.00 0.00 34.13 30.96 1ypp s GLU 150 CO 0.00 0.74 1.62 0.99 0.02 0.00 0.00 175.26 178.64 1ypp s THR 151 N -0.92 3.35 -0.45 3.63 2.01 0.38 -1.20 115.64 122.43 1ypp s THR 151 Ca 0.14 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.85 1ypp s THR 151 Cb -0.12 -3.42 0.20 0.00 0.01 0.00 0.00 72.50 69.17 1ypp s THR 151 CO 0.04 -0.03 0.59 -0.67 -0.69 0.00 0.00 174.62 173.86 1ypp n ASP 152 N 6.22 -1.72 -4.77 3.53 2.03 -0.01 -1.71 116.55 120.11 1ypp n ASP 152 Ca 0.16 -2.76 -0.41 0.00 0.52 0.00 0.00 54.79 52.30 1ypp n ASP 152 Cb 0.42 0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 41.37 1ypp n ASP 152 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1ypp s TRP 153 N 0.20 2.76 -0.25 -0.67 0.52 -1.26 -3.42 118.94 116.82 1ypp s TRP 153 Ca 0.32 1.28 -0.02 0.00 0.02 0.00 0.00 56.10 57.69 1ypp s TRP 153 Cb 0.08 -3.88 0.02 0.00 -1.15 0.00 0.00 33.47 28.55 1ypp s TRP 153 CO -0.15 -2.53 -0.05 0.15 0.02 0.00 0.00 176.95 174.40 1ypp s LYS 154 N -2.01 2.91 -0.15 4.98 -0.14 0.83 -3.46 119.74 122.71 1ypp s LYS 154 Ca 0.52 -0.93 -0.21 0.00 -1.36 0.00 0.00 55.97 53.98 1ypp s LYS 154 Cb -0.43 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 1ypp s LYS 154 CO 0.58 -0.38 0.63 0.08 -0.76 0.00 0.00 175.35 175.50 1ypp s VAL 155 N 1.36 5.05 -0.26 3.17 1.01 0.19 -0.19 120.40 130.72 1ypp s VAL 155 Ca 0.01 1.23 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 1ypp s VAL 155 Cb -0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1ypp s VAL 155 CO -0.04 0.18 0.59 -0.63 0.00 0.00 0.00 175.10 175.20 1ypp s ILE 156 N 1.44 5.01 0.22 2.22 1.01 -0.47 0.52 121.20 131.15 1ypp s ILE 156 Ca 0.31 1.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 1ypp s ILE 156 Cb -0.16 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1ypp s ILE 156 CO 0.12 0.02 0.19 0.00 0.00 0.00 0.00 174.94 175.27 1ypp s ALA 157 N 2.46 1.12 -0.02 9.38 0.00 -0.55 0.28 121.76 134.42 1ypp s ALA 157 Ca 0.24 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1ypp s ALA 157 Cb -0.15 1.37 0.01 0.00 0.00 0.00 0.00 23.12 24.34 1ypp s ALA 157 CO 0.09 -0.63 0.06 -1.50 0.00 0.00 0.00 175.76 173.79 1ypp s ILE 158 N -4.04 -0.00 0.18 0.00 2.07 -1.13 -2.24 121.20 116.03 1ypp s ILE 158 Ca 0.38 0.01 -0.32 0.00 -1.41 0.00 0.00 60.65 59.31 1ypp s ILE 158 Cb 0.06 -0.10 -0.11 0.00 0.13 0.00 0.00 42.46 42.44 1ypp s ILE 158 CO 0.14 0.00 1.72 -0.62 -1.91 0.00 0.00 174.94 174.27 1ypp s ASP 159 N 0.06 6.43 0.54 4.50 -1.08 -1.26 -1.98 116.67 123.89 1ypp s ASP 159 Ca -0.00 2.78 0.32 0.00 -0.52 0.00 0.00 52.55 55.13 1ypp s ASP 159 Cb -0.01 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.30 1ypp s ASP 159 CO -0.00 -0.95 2.02 0.16 0.52 0.00 0.00 175.17 176.92 1ypp h ILE 160 N 4.08 0.22 -0.00 4.11 3.07 -1.80 -0.17 117.51 127.02 1ypp h ILE 160 Ca -0.44 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.40 1ypp h ILE 160 Cb 1.20 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1ypp h ILE 160 CO 0.95 0.07 -0.02 0.59 -1.05 0.00 0.00 178.15 178.68 1ypp n ASN 161 N -3.25 0.16 -4.73 2.16 3.02 -1.26 -4.72 115.26 106.63 1ypp n ASN 161 Ca -0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 1ypp n ASN 161 Cb 0.29 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -2.35 6.97 0.57 6.41 2.15 -0.08 -4.91 116.67 125.42 1ypp s ASP 162 Ca 0.35 2.31 0.38 0.00 0.43 0.00 0.00 52.55 56.02 1ypp s ASP 162 Cb 0.21 -2.60 1.49 0.00 -0.30 0.00 0.00 42.92 41.72 1ypp s ASP 162 CO 0.43 -0.48 1.66 -0.65 -0.17 0.00 0.00 175.17 175.95 1ypp h PRO 163 N 5.59 0.00 -0.03 4.34 0.11 -1.87 1.53 132.00 141.67 1ypp h PRO 163 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ypp h PRO 163 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ypp h PRO 163 CO 0.78 0.00 -0.10 1.28 -0.21 0.00 0.00 178.00 179.75 1ypp n LEU 164 N -3.88 2.69 -0.40 2.35 4.77 -1.26 -4.61 117.00 116.66 1ypp n LEU 164 Ca 0.29 -0.91 -0.07 0.00 -0.03 0.00 0.00 56.01 55.29 1ypp n LEU 164 Cb 1.47 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.51 1ypp n LEU 164 CO 0.37 0.46 0.52 0.00 -1.33 0.00 0.00 177.39 177.41 1ypp h ALA 165 N 4.51 -0.27 -0.85 -1.18 0.00 0.19 0.15 119.26 121.82 1ypp h ALA 165 Ca 0.00 0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.32 1ypp h ALA 165 Cb 0.92 1.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1ypp h ALA 165 CO 0.00 -0.83 0.59 -1.35 0.00 0.00 0.00 179.25 177.66 1ypp h PRO 166 N -0.00 0.14 -0.00 0.00 0.11 -1.82 -0.59 132.00 129.84 1ypp h PRO 166 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1ypp h PRO 166 Cb 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1ypp h PRO 166 CO -0.96 0.09 -0.48 1.63 -0.21 0.00 0.00 178.00 178.07 1ypp n LYS 167 N -4.37 0.03 -3.76 1.05 5.02 0.50 -4.78 118.16 111.85 1ypp n LYS 167 Ca 0.18 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 1ypp n LYS 167 Cb 0.82 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 1ypp n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ypp s LEU 168 N -2.98 3.58 0.00 -0.35 1.43 -0.23 -4.91 118.68 115.22 1ypp s LEU 168 Ca 0.12 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1ypp s LEU 168 Cb 0.18 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ypp s LEU 168 CO 0.69 -0.10 0.00 0.59 0.23 0.00 0.00 176.35 177.76 1ypp n ASN 169 N 4.91 0.33 -3.77 2.29 4.13 -1.26 -4.94 115.26 116.94 1ypp n ASN 169 Ca -0.16 -0.09 -0.10 0.00 1.68 0.00 0.00 54.58 55.91 1ypp n ASN 169 Cb 0.50 0.25 -0.05 0.00 -1.54 0.00 0.00 39.78 38.94 1ypp n ASN 169 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ypp s ASP 170 N -0.32 -0.13 0.30 6.41 -1.08 -1.26 -4.88 116.67 115.71 1ypp s ASP 170 Ca 0.00 -0.54 0.05 0.00 -0.52 0.00 0.00 52.55 51.54 1ypp s ASP 170 Cb 0.00 0.48 0.77 0.00 -1.46 0.00 0.00 42.92 42.71 1ypp s ASP 170 CO 0.00 -0.90 1.70 -0.29 0.52 0.00 0.00 175.17 176.20 1ypp h ILE 171 N 2.41 0.47 0.00 4.11 6.09 -1.51 -1.29 117.51 127.79 1ypp h ILE 171 Ca -0.32 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1ypp h ILE 171 Cb 1.24 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1ypp h ILE 171 CO 0.46 0.08 0.00 -1.84 -3.07 0.00 0.00 178.15 173.77 1ypp n GLU 172 N -5.02 0.13 0.15 2.19 0.00 -1.26 -0.16 120.64 116.67 1ypp n GLU 172 Ca 0.23 0.59 0.12 0.00 0.00 0.00 0.00 57.16 58.10 1ypp n GLU 172 Cb 0.69 -1.90 0.12 0.00 0.00 0.00 0.00 31.44 30.35 1ypp n GLU 172 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ypp h ASP 173 N 0.00 0.00 -0.47 -1.84 3.32 -1.60 -3.30 116.42 112.53 1ypp h ASP 173 Ca 0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1ypp h ASP 173 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1ypp h ASP 173 CO 0.00 0.01 0.03 0.58 -1.72 0.00 0.00 179.24 178.14 1ypp h VAL 174 N 0.00 1.26 0.00 -1.35 2.07 -0.67 -2.89 116.25 114.66 1ypp h VAL 174 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ypp h VAL 174 Cb 0.95 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ypp h VAL 174 CO 0.00 0.35 0.00 -0.08 0.02 0.00 0.00 177.57 177.86 1ypp h GLU 175 N 0.66 0.00 0.00 1.57 4.57 -1.67 0.30 114.58 120.02 1ypp h GLU 175 Ca 0.14 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.02 1ypp h GLU 175 Cb 0.46 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1ypp h GLU 175 CO 0.02 0.00 -1.74 1.17 -1.18 0.00 0.00 179.01 177.27 1ypp n LYS 176 N -2.30 0.64 -0.00 1.92 4.81 -1.16 -3.73 118.16 118.34 1ypp n LYS 176 Ca 0.04 0.29 0.06 0.00 -0.87 0.00 0.00 58.31 57.82 1ypp n LYS 176 Cb 0.35 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.54 1ypp n LYS 176 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ypp n TYR 177 N -3.05 0.00 -2.92 5.64 4.01 -1.10 -4.71 117.16 115.03 1ypp n TYR 177 Ca -0.18 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.40 1ypp n TYR 177 Cb 1.06 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.90 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 -1.71 1.09 -1.64 -0.72 3.72 0.11 -5.09 117.46 113.22 1ypp n PHE 178 Ca -0.01 -3.40 -0.46 0.00 -0.05 0.00 0.00 57.45 53.53 1ypp n PHE 178 Cb 0.26 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.06 1.72 -0.22 -1.08 -0.04 -1.24 -2.03 135.00 132.16 1ypp n PRO 179 Ca 0.20 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1ypp n PRO 179 Cb 0.70 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.97 2.44 0.18 0.55 0.00 -1.26 -4.87 105.19 104.20 1ypp n GLY 180 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.99 5.85 -1.75 -2.57 115.31 117.83 1ypp h LEU 181 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1ypp h LEU 181 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ypp h LEU 181 CO 0.00 0.40 -0.96 -0.07 -0.34 0.00 0.00 178.44 177.47 1ypp h LEU 182 N 0.00 0.00 0.06 2.25 4.07 -1.90 -2.81 115.31 116.98 1ypp h LEU 182 Ca -0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 1ypp h LEU 182 Cb 0.76 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 1ypp h LEU 182 CO 0.05 0.77 -1.19 -0.09 -1.08 0.00 0.00 178.44 176.90 1ypp h ARG 183 N 0.00 0.12 0.00 1.13 2.43 -1.93 -2.99 114.38 113.15 1ypp h ARG 183 Ca -0.06 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1ypp h ARG 183 Cb 1.64 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.26 1ypp h ARG 183 CO 0.09 1.06 -0.18 0.00 -1.51 0.00 0.00 179.97 179.42 1ypp h ALA 184 N 0.79 1.03 0.15 2.80 0.00 -1.54 -1.96 119.26 120.53 1ypp h ALA 184 Ca -0.10 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 1ypp h ALA 184 Cb 1.89 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.68 1ypp h ALA 184 CO 0.16 0.23 -1.30 1.15 0.00 0.00 0.00 179.25 179.49 1ypp h THR 185 N 0.00 1.30 0.33 0.00 2.02 -1.44 -0.00 112.91 115.12 1ypp h THR 185 Ca -0.00 -2.57 -0.02 0.00 0.77 0.00 0.00 66.41 64.60 1ypp h THR 185 Cb 0.70 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1ypp h THR 185 CO 0.02 0.78 -0.16 -1.13 0.37 0.00 0.00 175.52 175.40 1ypp h ASN 186 N 0.23 -0.38 -0.28 4.18 -0.73 -1.48 -2.36 115.58 114.76 1ypp h ASN 186 Ca -0.20 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 57.91 1ypp h ASN 186 Cb 1.98 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 40.65 1ypp h ASN 186 CO 0.24 -0.23 0.03 -0.08 -0.37 0.00 0.00 177.43 177.03 1ypp h GLU 187 N -0.50 0.47 -0.83 6.67 4.81 -1.42 -2.44 114.58 121.34 1ypp h GLU 187 Ca -0.05 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1ypp h GLU 187 Cb 0.38 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1ypp h GLU 187 CO 0.08 0.60 0.50 2.35 -0.73 0.00 0.00 179.01 181.80 1ypp h TRP 188 N 0.28 0.91 0.00 0.92 7.01 -0.92 -1.62 115.95 122.52 1ypp h TRP 188 Ca 0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1ypp h TRP 188 Cb 0.37 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1ypp h TRP 188 CO 0.03 0.42 -0.17 1.19 -2.79 0.00 0.00 178.44 177.11 1ypp n PHE 189 N -4.69 0.31 0.08 2.65 3.72 -0.90 -2.41 117.46 116.23 1ypp n PHE 189 Ca 0.13 0.09 -0.21 0.00 -0.05 0.00 0.00 57.45 57.40 1ypp n PHE 189 Cb 0.22 -0.59 -0.15 0.00 -0.94 0.00 0.00 39.48 38.03 1ypp n PHE 189 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ypp h ARG 190 N 0.00 0.39 -0.01 -1.08 3.08 -0.79 -3.41 114.38 112.55 1ypp h ARG 190 Ca 0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1ypp h ARG 190 Cb 0.59 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1ypp h ARG 190 CO 0.00 1.30 -0.25 0.44 -1.07 0.00 0.00 179.97 180.39 1ypp n ILE 191 N -4.00 0.00 0.29 2.04 -5.35 -1.10 -0.57 119.36 110.67 1ypp n ILE 191 Ca -0.15 -0.37 0.16 0.00 -0.27 0.00 0.00 62.75 62.12 1ypp n ILE 191 Cb 0.91 1.22 0.88 0.00 -1.74 0.00 0.00 39.64 40.91 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 2.10 0.00 -0.26 4.28 -0.00 -1.72 -2.32 116.97 119.06 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 0.05 0.00 1.63 -0.00 0.00 0.00 178.16 179.84 1ypp n LYS 193 N -3.53 2.08 -0.20 0.10 5.02 -1.26 -4.41 118.16 115.96 1ypp n LYS 193 Ca -0.02 -1.94 -0.08 0.00 -2.02 0.00 0.00 58.31 54.24 1ypp n LYS 193 Cb 0.17 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 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 3.52 1.24 0.00 -0.18 2.04 -1.55 -2.18 117.51 120.40 1ypp h ILE 194 Ca 0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1ypp h ILE 194 Cb 0.82 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1ypp h ILE 194 CO 0.00 0.30 0.00 -2.65 0.00 0.00 0.00 178.15 175.80 1ypp n PRO 195 N -4.45 0.24 0.00 2.37 -0.02 -1.26 -0.92 135.00 130.96 1ypp n PRO 195 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1ypp n PRO 195 Cb 0.20 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.18 0.40 0.00 2.55 8.00 -0.90 -5.00 116.55 121.43 1ypp n ASP 196 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1ypp n ASP 196 Cb 0.02 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.20 0.66 3.82 0.44 0.00 -0.10 -5.05 105.19 105.16 1ypp n GLY 197 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.74 4.25 1.15 1.61 -0.14 -0.87 -5.01 119.74 119.98 1ypp s LYS 198 Ca 0.00 0.97 -0.13 0.00 -1.36 0.00 0.00 55.97 55.46 1ypp s LYS 198 Cb 0.00 -2.56 0.28 0.00 -1.68 0.00 0.00 37.83 33.86 1ypp s LYS 198 CO 0.00 0.20 1.04 -2.14 -0.76 0.00 0.00 175.35 173.68 1ypp s PRO 199 N -2.58 -0.81 0.14 -1.68 0.02 -1.26 -4.02 135.00 124.81 1ypp s PRO 199 Ca 0.52 0.83 -0.27 0.00 0.02 0.00 0.00 61.00 62.11 1ypp s PRO 199 Cb -0.13 -1.57 -0.07 0.00 0.02 0.00 0.00 34.50 32.75 1ypp s PRO 199 CO 0.19 -3.65 0.83 -2.00 -0.33 0.00 0.00 177.00 172.04 1ypp s GLU 200 N -4.50 4.62 0.87 5.54 2.12 -1.26 -4.68 118.70 121.42 1ypp s GLU 200 Ca 0.68 1.24 -0.12 0.00 0.36 0.00 0.00 54.97 57.13 1ypp s GLU 200 Cb -0.24 -3.31 0.12 0.00 0.26 0.00 0.00 34.13 30.95 1ypp s GLU 200 CO 0.64 0.42 1.12 -0.80 -0.54 0.00 0.00 175.26 176.10 1ypp s ASN 201 N -0.66 3.83 0.03 -1.70 0.01 0.26 -5.00 114.94 111.71 1ypp s ASN 201 Ca 0.39 1.10 -0.00 0.00 -0.71 0.00 0.00 52.86 53.64 1ypp s ASN 201 Cb -0.23 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 1ypp s ASN 201 CO 0.27 -2.37 -0.03 0.00 -1.51 0.00 0.00 177.10 173.46 1ypp s GLN 202 N -5.22 0.41 -0.02 -0.60 -2.07 -1.19 -4.79 119.66 106.19 1ypp s GLN 202 Ca 0.63 -0.79 0.03 0.00 -1.82 0.00 0.00 55.36 53.41 1ypp s GLN 202 Cb -0.15 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1ypp s GLN 202 CO 0.54 -0.06 -0.11 -0.06 -1.32 0.00 0.00 175.29 174.29 1ypp s PHE 203 N -2.10 2.79 0.78 9.60 0.08 -1.26 -0.20 117.98 127.66 1ypp s PHE 203 Ca -0.09 -0.09 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 1ypp s PHE 203 Cb -0.05 -1.61 0.06 0.00 -0.57 0.00 0.00 43.02 40.84 1ypp s PHE 203 CO -0.03 0.29 1.13 0.00 -0.10 0.00 0.00 175.22 176.52 1ypp s ALA 204 N -0.88 2.62 -1.58 5.36 0.00 0.92 -4.01 121.76 124.19 1ypp s ALA 204 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1ypp s ALA 204 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1ypp s ALA 204 CO 0.04 -1.52 0.51 1.19 0.00 0.00 0.00 175.76 175.98 1ypp n PHE 205 N -3.25 -1.82 -4.40 0.00 3.72 -1.26 -2.64 117.46 107.82 1ypp n PHE 205 Ca 0.07 0.44 -0.38 0.00 -0.05 0.00 0.00 57.45 57.53 1ypp n PHE 205 Cb 0.59 -4.33 -0.07 0.00 -0.94 0.00 0.00 39.48 34.73 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 -2.43 -1.66 -0.35 4.37 7.64 -1.26 0.32 113.62 120.25 1ypp n SER 206 Ca -0.13 -1.18 -0.05 0.00 1.01 0.00 0.00 58.87 58.52 1ypp n SER 206 Cb 0.63 -1.97 -0.02 0.00 -1.01 0.00 0.00 64.21 61.84 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 -1.44 0.72 3.71 0.23 0.00 -1.08 -4.99 105.19 102.33 1ypp n GLY 207 Ca 0.01 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.92 4.37 -0.34 1.61 2.12 0.15 -4.99 118.70 119.71 1ypp s GLU 208 Ca 0.00 1.85 -0.22 0.00 0.36 0.00 0.00 54.97 56.95 1ypp s GLU 208 Cb 0.00 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1ypp s GLU 208 CO 0.00 -0.37 0.74 0.00 -0.54 0.00 0.00 175.26 175.09 1ypp s ALA 209 N 1.45 3.47 0.58 6.30 0.00 -1.26 -4.48 121.76 127.81 1ypp s ALA 209 Ca 0.60 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1ypp s ALA 209 Cb -0.31 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1ypp s ALA 209 CO 0.28 -1.34 1.05 0.15 0.00 0.00 0.00 175.76 175.91 1ypp s LYS 210 N 2.94 3.39 0.96 0.00 -0.14 0.16 -4.78 119.74 122.26 1ypp s LYS 210 Ca 0.30 1.21 -0.15 0.00 -1.36 0.00 0.00 55.97 55.96 1ypp s LYS 210 Cb -0.14 -2.04 0.18 0.00 -1.68 0.00 0.00 37.83 34.15 1ypp s LYS 210 CO 0.15 -0.76 1.23 0.54 -0.76 0.00 0.00 175.35 175.75 1ypp s ASN 211 N -2.74 3.14 0.51 2.83 2.20 -1.26 -0.60 114.94 119.02 1ypp s ASN 211 Ca 0.64 0.56 0.19 0.00 -0.94 0.00 0.00 52.86 53.30 1ypp s ASN 211 Cb -0.16 -0.82 1.26 0.00 -2.00 0.00 0.00 41.25 39.53 1ypp s ASN 211 CO 0.35 -2.74 2.06 0.50 -2.94 0.00 0.00 177.10 174.34 1ypp h LYS 212 N -1.64 0.09 0.39 3.55 3.64 -1.89 -0.71 116.57 120.00 1ypp h LYS 212 Ca -0.46 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1ypp h LYS 212 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ypp h LYS 212 CO 0.48 0.06 -0.19 0.87 -2.27 0.00 0.00 179.45 178.40 1ypp h LYS 213 N 0.09 -0.50 -0.10 1.90 6.56 -1.92 -0.46 116.57 122.14 1ypp h LYS 213 Ca 0.14 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.78 1ypp h LYS 213 Cb 0.45 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1ypp h LYS 213 CO -0.01 -0.19 0.00 -0.92 -2.06 0.00 0.00 179.45 176.27 1ypp h TYR 214 N -0.86 0.00 -0.50 -1.35 5.03 -1.83 -0.84 116.97 116.62 1ypp h TYR 214 Ca -0.05 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.36 1ypp h TYR 214 Cb 0.54 0.01 -0.09 0.00 1.55 0.00 0.00 36.73 38.75 1ypp h TYR 214 CO 0.02 -0.01 -0.07 0.00 -1.32 0.00 0.00 178.16 176.78 1ypp h ALA 215 N 1.08 0.39 -0.45 1.82 0.00 -1.19 -0.06 119.26 120.84 1ypp h ALA 215 Ca 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ypp h ALA 215 Cb 0.05 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ypp h ALA 215 CO -0.07 -0.42 0.17 -0.07 0.00 0.00 0.00 179.25 178.85 1ypp h LEU 216 N 0.04 0.59 -0.24 0.00 3.38 -0.26 0.50 115.31 119.33 1ypp h LEU 216 Ca 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ypp h LEU 216 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ypp h LEU 216 CO -0.47 0.55 0.13 0.44 0.09 0.00 0.00 178.44 179.17 1ypp h ASP 217 N 0.65 0.30 -0.53 -0.43 3.32 -0.05 -2.56 116.42 117.12 1ypp h ASP 217 Ca 0.16 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ypp h ASP 217 Cb 0.15 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1ypp h ASP 217 CO -0.01 0.32 0.23 0.40 -1.72 0.00 0.00 179.24 178.45 1ypp h ILE 218 N 0.27 1.21 0.00 0.35 1.08 -0.01 -2.15 117.51 118.26 1ypp h ILE 218 Ca 0.08 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 63.91 1ypp h ILE 218 Cb 0.09 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1ypp h ILE 218 CO -0.01 0.24 -0.08 0.40 -0.69 0.00 0.00 178.15 178.01 1ypp h ILE 219 N 0.71 1.02 0.06 -0.67 5.03 -0.88 -2.54 117.51 120.25 1ypp h ILE 219 Ca 0.18 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1ypp h ILE 219 Cb 0.17 1.15 0.00 0.00 -3.03 0.00 0.00 36.82 35.11 1ypp h ILE 219 CO -0.02 0.08 -0.03 0.50 -0.68 0.00 0.00 178.15 178.00 1ypp h LYS 220 N 0.00 -0.08 -0.54 2.37 3.64 -0.98 -2.26 116.57 118.72 1ypp h LYS 220 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1ypp h LYS 220 Cb 0.14 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 1ypp h LYS 220 CO 0.01 0.47 -0.25 0.93 -2.27 0.00 0.00 179.45 178.34 1ypp h GLU 221 N -0.71 -0.11 -0.83 1.90 5.08 -1.33 0.18 114.58 118.75 1ypp h GLU 221 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ypp h GLU 221 Cb 0.59 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1ypp h GLU 221 CO 0.01 -0.07 0.55 1.15 -1.00 0.00 0.00 179.01 179.65 1ypp h THR 222 N -0.12 1.20 -0.09 1.13 2.02 -1.52 -0.56 112.91 114.97 1ypp h THR 222 Ca 0.24 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 1ypp h THR 222 Cb 0.50 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ypp h THR 222 CO -0.61 0.20 -0.52 -0.74 0.37 0.00 0.00 175.52 174.22 1ypp h HIS 223 N 1.11 0.30 -0.27 3.16 -0.00 -0.50 -0.41 115.15 118.54 1ypp h HIS 223 Ca 0.31 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 1ypp h HIS 223 Cb -0.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1ypp h HIS 223 CO -0.00 0.72 -0.14 -0.44 -0.00 0.00 0.00 177.93 178.07 1ypp h ASP 224 N 0.19 0.59 -0.17 3.26 3.32 -0.35 -2.38 116.42 120.88 1ypp h ASP 224 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.69 1ypp h ASP 224 Cb 0.99 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1ypp h ASP 224 CO 0.08 0.87 -0.16 0.28 -1.72 0.00 0.00 179.24 178.59 1ypp h SER 225 N 0.30 -0.51 -0.24 6.45 0.02 -0.90 0.27 113.55 118.94 1ypp h SER 225 Ca 0.06 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1ypp h SER 225 Cb 0.65 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1ypp h SER 225 CO 0.04 -0.20 0.18 -0.25 -1.14 0.00 0.00 176.83 175.46 1ypp h TRP 226 N -0.18 0.00 0.01 3.45 7.01 -1.28 -2.10 115.95 122.87 1ypp h TRP 226 Ca 0.11 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1ypp h TRP 226 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1ypp h TRP 226 CO -0.30 0.00 -0.00 0.87 -2.79 0.00 0.00 178.44 176.22 1ypp h LYS 227 N 0.00 -0.01 -0.61 2.65 1.57 0.04 -1.11 116.57 119.09 1ypp h LYS 227 Ca 0.11 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 1ypp h LYS 227 Cb 0.48 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 1ypp h LYS 227 CO -0.00 0.22 0.18 1.96 -0.57 0.00 0.00 179.45 181.24 1ypp h GLN 228 N -0.24 0.33 0.32 3.15 4.20 -0.67 -2.89 115.11 119.31 1ypp h GLN 228 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1ypp h GLN 228 Cb 0.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1ypp h GLN 228 CO 0.00 0.22 -0.28 1.25 -0.67 0.00 0.00 178.83 179.34 1ypp h LEU 229 N 0.34 -0.77 -1.23 1.46 5.85 -1.07 -1.46 115.31 118.43 1ypp h LEU 229 Ca 0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1ypp h LEU 229 Cb 0.44 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1ypp h LEU 229 CO -0.36 -0.39 0.00 -0.29 -0.34 0.00 0.00 178.44 177.07 1ypp h ILE 230 N -0.59 0.00 -0.13 4.05 6.09 -1.26 -2.91 117.51 122.76 1ypp h ILE 230 Ca -0.04 -0.39 -0.23 0.00 -1.37 0.00 0.00 64.86 62.83 1ypp h ILE 230 Cb 0.50 1.29 0.01 0.00 0.47 0.00 0.00 36.82 39.09 1ypp h ILE 230 CO -0.02 0.00 -0.83 0.00 -3.07 0.00 0.00 178.15 174.23 1ypp h ALA 231 N 2.10 0.28 0.00 0.18 0.00 -1.48 -3.42 119.26 116.93 1ypp h ALA 231 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ypp h ALA 231 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ypp h ALA 231 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1ypp n GLY 232 N 0.77 1.02 1.60 0.00 0.00 -0.93 -4.57 105.19 103.08 1ypp n GLY 232 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.07 3.94 -2.46 1.61 5.02 -0.60 -4.96 118.16 120.65 1ypp n LYS 233 Ca 0.00 -2.69 -0.40 0.00 -2.02 0.00 0.00 58.31 53.19 1ypp n LYS 233 Cb 0.00 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 32.97 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 -0.78 7.24 0.26 4.39 0.15 -1.15 -4.84 113.70 118.97 1ypp s SER 234 Ca 0.47 2.29 -0.03 0.00 0.70 0.00 0.00 55.95 59.38 1ypp s SER 234 Cb 0.33 -2.63 0.40 0.00 -1.71 0.00 0.00 66.02 62.41 1ypp s SER 234 CO 0.19 -0.17 1.88 -1.28 1.20 0.00 0.00 173.24 175.06 1ypp h SER 235 N 3.86 1.04 -2.24 5.45 0.87 -1.94 -3.40 113.55 117.18 1ypp h SER 235 Ca -0.47 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 59.92 1ypp h SER 235 Cb 1.21 -0.21 -0.31 0.00 -0.44 0.00 0.00 62.40 62.65 1ypp h SER 235 CO 0.67 0.66 -0.50 -0.62 -0.53 0.00 0.00 176.83 176.52 1ypp s ASP 236 N -5.90 0.39 0.00 6.23 -1.08 -1.26 -5.03 116.67 110.02 1ypp s ASP 236 Ca -0.12 0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.52 1ypp s ASP 236 Cb 0.20 0.96 1.40 0.00 -1.46 0.00 0.00 42.92 44.02 1ypp s ASP 236 CO 0.81 -0.29 1.96 -1.54 0.52 0.00 0.00 175.17 176.63 1ypp n SER 237 N 5.36 0.42 -2.70 -0.34 3.41 -1.26 -4.86 113.62 113.64 1ypp n SER 237 Ca -0.05 -0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 1ypp n SER 237 Cb 0.50 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.88 -2.65 -1.36 4.33 4.76 -1.26 -0.81 118.16 120.30 1ypp n LYS 238 Ca 0.17 0.46 -0.12 0.00 -2.87 0.00 0.00 58.31 55.95 1ypp n LYS 238 Cb 0.24 -5.07 -0.05 0.00 -1.84 0.00 0.00 35.03 28.31 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 -0.85 1.32 3.77 0.72 0.00 -1.26 -4.97 105.19 103.92 1ypp n GLY 239 Ca -0.09 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1ypp n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ypp s ILE 240 N -2.39 2.54 -0.24 -0.61 1.01 0.01 -4.74 121.20 116.78 1ypp s ILE 240 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 1ypp s ILE 240 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1ypp s ILE 240 CO 0.00 0.09 1.02 -0.62 0.00 0.00 0.00 174.94 175.43 1ypp s ASP 241 N -0.62 7.06 0.00 3.58 -1.08 -0.75 -4.94 116.67 119.93 1ypp s ASP 241 Ca 0.55 1.32 0.21 0.00 -0.52 0.00 0.00 52.55 54.11 1ypp s ASP 241 Cb -0.40 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.07 1ypp s ASP 241 CO 0.52 -0.67 1.44 0.18 0.52 0.00 0.00 175.17 177.16 1ypp n LEU 242 N 6.33 2.89 -4.62 -1.34 4.77 -1.26 -4.89 117.00 118.88 1ypp n LEU 242 Ca 0.11 -1.31 -0.45 0.00 -0.03 0.00 0.00 56.01 54.33 1ypp n LEU 242 Cb 0.46 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1ypp n LEU 242 CO 0.52 0.65 0.76 0.41 -1.33 0.00 0.00 177.39 178.40 1ypp n THR 243 N 1.10 1.47 -4.04 -5.08 -1.04 -1.26 -4.73 114.28 100.70 1ypp n THR 243 Ca 0.18 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1ypp n THR 243 Cb 0.50 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 1ypp n THR 243 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ypp s ASN 244 N -0.19 0.67 0.00 8.00 2.20 -1.23 -4.51 114.94 119.88 1ypp s ASN 244 Ca 0.64 -1.37 0.01 0.00 -0.94 0.00 0.00 52.86 51.20 1ypp s ASN 244 Cb -0.71 0.68 0.02 0.00 -2.00 0.00 0.00 41.25 39.24 1ypp s ASN 244 CO 0.56 -1.33 0.98 1.33 -2.94 0.00 0.00 177.10 175.69 1ypp n VAL 245 N -0.54 0.00 -0.73 3.54 0.24 -1.26 -1.45 118.33 118.14 1ypp n VAL 245 Ca -0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1ypp n VAL 245 Cb 0.61 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.02 0.00 -3.80 3.34 -2.24 -1.26 -4.85 114.28 105.49 1ypp n THR 246 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1ypp n THR 246 Cb 0.71 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.00 5.02 0.59 3.22 1.02 -1.26 -4.98 118.68 122.30 1ypp s LEU 247 Ca 0.00 -3.44 0.37 0.00 0.02 0.00 0.00 54.13 51.08 1ypp s LEU 247 Cb 0.00 -1.76 1.79 0.00 0.02 0.00 0.00 46.19 46.24 1ypp s LEU 247 CO 0.00 -0.20 2.15 -0.65 0.02 0.00 0.00 176.35 177.67 1ypp h PRO 248 N 6.13 0.00 -0.18 1.29 0.11 -1.97 -2.47 132.00 134.91 1ypp h PRO 248 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ypp h PRO 248 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ypp h PRO 248 CO 0.75 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 1ypp n ASP 249 N -3.18 1.47 -4.83 -2.05 5.75 -1.26 -4.85 116.55 107.61 1ypp n ASP 249 Ca -0.01 -1.75 -0.37 0.00 -0.01 0.00 0.00 54.79 52.65 1ypp n ASP 249 Cb 0.20 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.76 5.28 0.24 2.12 -4.23 -0.93 -5.00 115.64 111.36 1ypp s THR 250 Ca 0.29 0.52 -0.06 0.00 -1.18 0.00 0.00 61.69 61.26 1ypp s THR 250 Cb 0.15 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1ypp s THR 250 CO 0.23 0.55 1.66 -0.65 -0.54 0.00 0.00 174.62 175.86 1ypp h PRO 251 N 5.30 0.17 -0.00 3.99 0.11 -1.80 -0.21 132.00 139.54 1ypp h PRO 251 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ypp h PRO 251 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ypp h PRO 251 CO 0.64 0.11 -0.03 0.25 -0.21 0.00 0.00 178.00 178.76 1ypp n THR 252 N -5.26 0.00 -1.69 -1.15 -2.24 -1.26 -4.93 114.28 97.75 1ypp n THR 252 Ca 0.14 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1ypp n THR 252 Cb 0.47 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1ypp n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ypp n TYR 253 N -0.87 1.96 -3.05 4.78 4.19 -0.09 -3.53 117.16 120.54 1ypp n TYR 253 Ca 0.19 0.51 0.00 0.00 3.31 0.00 0.00 57.90 61.91 1ypp n TYR 253 Cb 0.21 -2.35 -0.00 0.00 0.49 0.00 0.00 39.34 37.69 1ypp n TYR 253 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1ypp s SER 254 N -0.60 -1.29 0.85 2.98 0.15 -0.53 -4.89 113.70 110.37 1ypp s SER 254 Ca 0.62 -0.83 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 1ypp s SER 254 Cb -0.51 1.66 0.05 0.00 -1.71 0.00 0.00 66.02 65.51 1ypp s SER 254 CO 0.57 -0.12 0.81 0.29 1.20 0.00 0.00 173.24 175.99 1ypp n LYS 255 N 3.99 -0.02 0.00 5.44 5.02 -1.26 -1.80 118.16 129.53 1ypp n LYS 255 Ca 0.11 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1ypp n LYS 255 Cb 0.58 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1ypp n LYS 255 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ypp n ALA 256 N -3.32 0.00 -0.13 7.82 0.00 -1.26 -4.81 120.51 118.81 1ypp n ALA 256 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ypp n ALA 256 Cb 0.51 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.09 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 1.04 0.00 0.00 0.00 -1.70 -2.41 119.26 116.19 1ypp h ALA 257 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ypp h ALA 257 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ypp h ALA 257 CO 0.00 0.60 -0.16 0.77 0.00 0.00 0.00 179.25 180.46 1ypp h SER 258 N 0.80 0.00 0.59 0.00 0.02 -1.81 -2.56 113.55 110.59 1ypp h SER 258 Ca 0.15 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1ypp h SER 258 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1ypp h SER 258 CO 0.02 0.16 -1.50 0.47 -1.14 0.00 0.00 176.83 174.84 1ypp n ASP 259 N -3.97 0.63 -0.01 3.07 9.92 -1.12 -3.85 116.55 121.24 1ypp n ASP 259 Ca -0.02 0.27 -0.10 0.00 -0.53 0.00 0.00 54.79 54.40 1ypp n ASP 259 Cb 0.25 0.61 -0.05 0.00 -0.64 0.00 0.00 41.12 41.29 1ypp n ASP 259 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ypp h ALA 260 N 1.62 0.12 -2.03 2.24 0.00 -1.02 -3.43 119.26 116.75 1ypp h ALA 260 Ca -0.13 0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.17 1ypp h ALA 260 Cb 1.41 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.29 1ypp h ALA 260 CO 0.03 -0.42 0.37 -0.89 0.00 0.00 0.00 179.25 178.34 1ypp n ILE 261 N -5.06 1.19 -2.68 0.00 2.08 -1.12 -4.96 119.36 108.81 1ypp n ILE 261 Ca -0.05 -0.30 -0.34 0.00 0.56 0.00 0.00 62.75 62.62 1ypp n ILE 261 Cb 0.05 -1.12 -0.05 0.00 -0.75 0.00 0.00 39.64 37.76 1ypp n ILE 261 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ypp s PRO 262 N -0.70 4.08 0.82 0.38 0.04 -1.26 -5.03 135.00 133.33 1ypp s PRO 262 Ca 0.68 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1ypp s PRO 262 Cb -0.74 -2.24 0.07 0.00 0.04 0.00 0.00 34.50 31.63 1ypp s PRO 262 CO 0.53 -0.17 1.02 -0.35 0.04 0.00 0.00 177.00 178.07 1ypp n PRO 263 N -0.60 0.10 -1.78 0.56 -0.04 -1.26 -4.93 135.00 127.05 1ypp n PRO 263 Ca 0.07 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 1ypp n PRO 263 Cb 0.53 -2.29 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1ypp n PRO 263 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ypp s ALA 264 N -2.16 2.79 -0.34 0.55 0.00 -1.26 -4.84 121.76 116.50 1ypp s ALA 264 Ca 0.70 1.33 0.16 0.00 0.00 0.00 0.00 51.96 54.15 1ypp s ALA 264 Cb -0.29 -3.57 0.44 0.00 0.00 0.00 0.00 23.12 19.70 1ypp s ALA 264 CO 0.54 -1.39 0.99 -1.13 0.00 0.00 0.00 175.76 174.76 1ypp n SER 265 N -1.08 0.84 -4.66 0.00 3.41 0.02 -4.96 113.62 107.20 1ypp n SER 265 Ca 0.11 -2.73 -0.46 0.00 -0.26 0.00 0.00 58.87 55.53 1ypp n SER 265 Cb 0.45 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1ypp n SER 265 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ypp n PRO 266 N -0.09 1.93 -4.27 4.33 -0.04 -1.03 -2.16 135.00 133.67 1ypp n PRO 266 Ca 0.09 0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 64.09 1ypp n PRO 266 Cb 0.80 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 1ypp n PRO 266 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ypp s LYS 267 N -0.16 1.11 0.35 0.54 1.02 -0.76 -4.89 119.74 116.96 1ypp s LYS 267 Ca 0.71 -1.49 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 1ypp s LYS 267 Cb -0.69 -0.68 -0.11 0.00 -0.52 0.00 0.00 37.83 35.83 1ypp s LYS 267 CO 0.48 0.07 1.48 0.00 -0.92 0.00 0.00 175.35 176.46 1ypp s ALA 268 N -3.29 3.59 0.14 5.17 0.00 -1.26 -4.39 121.76 121.72 1ypp s ALA 268 Ca 0.18 1.53 -0.34 0.00 0.00 0.00 0.00 51.96 53.33 1ypp s ALA 268 Cb 0.02 -3.60 -0.17 0.00 0.00 0.00 0.00 23.12 19.38 1ypp s ALA 268 CO 0.02 -0.98 1.10 -0.25 0.00 0.00 0.00 175.76 175.64 1ypp n ASP 269 N 0.80 0.89 -4.85 0.00 9.92 -1.26 -4.54 116.55 117.50 1ypp n ASP 269 Ca 0.02 1.14 -0.32 0.00 -0.53 0.00 0.00 54.79 55.11 1ypp n ASP 269 Cb 0.39 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.71 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 -0.19 3.11 0.52 2.24 0.00 0.99 -4.89 121.76 123.55 1ypp s ALA 270 Ca 0.76 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1ypp s ALA 270 Cb -0.94 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.07 1ypp s ALA 270 CO 0.53 -0.29 1.06 -2.14 0.00 0.00 0.00 175.76 174.92 1ypp s PRO 271 N -4.26 3.61 -0.13 0.00 0.02 -1.26 -4.68 135.00 128.30 1ypp s PRO 271 Ca 0.57 1.38 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 1ypp s PRO 271 Cb -0.10 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1ypp s PRO 271 CO 0.36 -0.60 0.13 0.42 -0.33 0.00 0.00 177.00 176.98 1ypp s ILE 272 N -2.04 5.39 0.31 2.83 1.01 -1.26 -5.01 121.20 122.43 1ypp s ILE 272 Ca 0.68 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 1ypp s ILE 272 Cb -0.18 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 38.81 1ypp s ILE 272 CO 0.25 0.60 1.42 -0.67 0.00 0.00 0.00 174.94 176.54 1ypp n ASP 273 N 2.16 3.15 0.00 3.58 2.03 -1.26 -4.88 116.55 121.33 1ypp n ASP 273 Ca -0.19 1.18 0.02 0.00 0.52 0.00 0.00 54.79 56.32 1ypp n ASP 273 Cb 0.55 -1.51 0.13 0.00 -0.72 0.00 0.00 41.12 39.57 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 1.32 0.14 0.20 -0.67 5.02 -1.26 -1.42 118.16 121.49 1ypp n LYS 274 Ca 0.07 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.46 1ypp n LYS 274 Cb 0.35 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.05 1ypp n LYS 274 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ypp h SER 275 N 0.00 0.00 0.05 4.39 4.64 -2.00 -3.01 113.55 117.62 1ypp h SER 275 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1ypp h SER 275 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ypp h SER 275 CO 0.00 0.18 -0.16 0.40 -0.87 0.00 0.00 176.83 176.37 1ypp h ILE 276 N 0.00 1.19 -0.90 0.95 1.08 -1.61 -2.53 117.51 115.68 1ypp h ILE 276 Ca -0.00 -0.86 0.19 0.00 -0.39 0.00 0.00 64.86 63.79 1ypp h ILE 276 Cb 1.06 1.27 -0.11 0.00 -3.07 0.00 0.00 36.82 35.98 1ypp h ILE 276 CO 0.02 0.27 0.46 0.44 -0.69 0.00 0.00 178.15 178.65 1ypp h ASP 277 N 0.21 0.52 -0.99 1.72 5.19 -1.72 -3.41 116.42 117.94 1ypp h ASP 277 Ca 0.04 0.12 -0.71 0.00 -0.62 0.00 0.00 57.03 55.86 1ypp h ASP 277 Cb 0.42 0.04 0.09 0.00 0.18 0.00 0.00 39.33 40.06 1ypp h ASP 277 CO 0.03 0.15 -0.32 1.17 -3.12 0.00 0.00 179.24 177.15 1ypp n LYS 278 N -4.91 0.00 -3.69 3.56 4.81 -0.96 -4.90 118.16 112.07 1ypp n LYS 278 Ca 0.21 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.26 1ypp n LYS 278 Cb 0.55 -1.17 -0.12 0.00 0.02 0.00 0.00 35.03 34.31 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 -0.64 3.21 0.04 5.64 -0.11 -1.26 -4.09 118.94 121.73 1ypp s TRP 279 Ca 0.73 -1.03 -0.29 0.00 1.22 0.00 0.00 56.10 56.73 1ypp s TRP 279 Cb -1.05 -2.33 -0.05 0.00 -1.50 0.00 0.00 33.47 28.55 1ypp s TRP 279 CO 0.56 -0.62 0.91 -0.06 -4.62 0.00 0.00 176.95 173.12 1ypp s PHE 280 N 1.51 3.72 -1.02 5.86 0.40 -0.44 -4.84 117.98 123.18 1ypp s PHE 280 Ca 0.02 1.66 -0.11 0.00 -0.60 0.00 0.00 56.93 57.90 1ypp s PHE 280 Cb -0.18 -3.01 0.26 0.00 0.51 0.00 0.00 43.02 40.59 1ypp s PHE 280 CO 0.04 0.13 0.99 -0.06 0.70 0.00 0.00 175.22 177.03 1ypp s PHE 281 N 0.42 4.10 -2.11 0.36 0.40 -1.26 -1.28 117.98 118.61 1ypp s PHE 281 Ca 0.46 -2.47 0.31 0.00 -0.60 0.00 0.00 56.93 54.63 1ypp s PHE 281 Cb -0.21 -3.82 1.72 0.00 0.51 0.00 0.00 43.02 41.21 1ypp s PHE 281 CO 0.27 -0.96 2.12 -0.89 0.70 0.00 0.00 175.22 176.46