#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piy s TYR 2 N 0.00 3.56 0.00 0.00 5.04 -1.26 -5.05 117.35 119.64 1piy s TYR 2 Ca 0.00 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.18 1piy s TYR 2 Cb 0.00 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 1piy s TYR 2 CO 0.00 0.17 -0.06 -0.08 -1.34 0.00 0.00 175.55 174.24 1piy s THR 3 N -1.75 0.47 -1.03 4.34 -1.32 -1.26 -5.02 115.64 110.07 1piy s THR 3 Ca 0.51 -0.40 0.24 0.00 -1.21 0.00 0.00 61.69 60.83 1piy s THR 3 Cb -0.15 -0.43 0.22 0.00 -1.51 0.00 0.00 72.50 70.64 1piy s THR 3 CO 0.20 0.03 1.79 0.35 -2.21 0.00 0.00 174.62 174.78 1piy n THR 4 N 2.66 0.31 -3.19 5.08 -2.24 -1.26 -4.43 114.28 111.20 1piy n THR 4 Ca -0.15 0.08 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1piy n THR 4 Cb 0.57 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1piy n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1piy s PHE 5 N -2.97 -1.72 0.19 4.78 5.36 -1.26 -4.87 117.98 117.49 1piy s PHE 5 Ca 0.13 0.34 -0.32 0.00 -0.96 0.00 0.00 56.93 56.12 1piy s PHE 5 Cb 0.16 0.31 -0.12 0.00 -0.34 0.00 0.00 43.02 43.04 1piy s PHE 5 CO 0.44 -1.15 1.75 -1.54 -1.46 0.00 0.00 175.22 173.27 1piy s SER 6 N 1.96 6.39 0.00 6.13 1.04 -1.26 -4.88 113.70 123.07 1piy s SER 6 Ca 0.15 2.85 0.31 0.00 0.48 0.00 0.00 55.95 59.74 1piy s SER 6 Cb -0.04 -2.59 1.66 0.00 0.10 0.00 0.00 66.02 65.14 1piy s SER 6 CO -0.09 -0.98 2.09 0.00 0.98 0.00 0.00 173.24 175.23 1piy n GLN 7 N 4.41 1.19 -3.32 4.02 0.00 -1.26 -4.73 117.38 117.70 1piy n GLN 7 Ca 0.16 -0.28 -0.38 0.00 0.00 0.00 0.00 57.00 56.51 1piy n GLN 7 Cb 0.36 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 29.04 1piy n GLN 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1piy s THR 8 N -2.00 5.16 -0.22 -0.39 2.01 -1.26 -5.02 115.64 113.91 1piy s THR 8 Ca 0.45 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 1piy s THR 8 Cb 0.22 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 1piy s THR 8 CO 0.36 0.35 1.23 -0.75 -0.69 0.00 0.00 174.62 175.12 1piy s LYS 9 N 0.45 4.14 0.17 4.92 2.20 -1.26 -4.99 119.74 125.36 1piy s LYS 9 Ca 0.26 1.47 0.06 0.00 -0.36 0.00 0.00 55.97 57.40 1piy s LYS 9 Cb -0.15 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1piy s LYS 9 CO 0.11 -0.82 -0.12 0.54 -0.36 0.00 0.00 175.35 174.70 1piy s ASN 10 N 2.08 2.09 -0.59 1.43 6.03 -1.26 -5.10 114.94 119.62 1piy s ASN 10 Ca 0.53 -1.01 -0.23 0.00 -1.03 0.00 0.00 52.86 51.12 1piy s ASN 10 Cb -0.19 -0.06 0.05 0.00 -3.03 0.00 0.00 41.25 38.03 1piy s ASN 10 CO 0.16 -0.27 0.91 -0.62 -2.03 0.00 0.00 177.10 175.26 1piy s ASP 11 N -3.21 6.26 0.33 3.54 -1.08 -1.26 -4.89 116.67 116.36 1piy s ASP 11 Ca 0.19 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 51.80 1piy s ASP 11 Cb 0.01 -2.41 1.17 0.00 -1.46 0.00 0.00 42.92 40.23 1piy s ASP 11 CO 0.03 -1.27 1.75 1.56 0.52 0.00 0.00 175.17 177.75 1piy h GLN 12 N 9.38 0.00 0.00 4.34 4.20 -1.97 -1.76 115.11 129.29 1piy h GLN 12 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1piy h GLN 12 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1piy h GLN 12 CO 1.11 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.20 1piy h LEU 13 N 0.00 0.00 -0.83 1.46 3.38 -1.95 -3.28 115.31 114.09 1piy h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1piy h LEU 13 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1piy h LEU 13 CO 0.00 0.00 -0.46 0.29 0.09 0.00 0.00 178.44 178.36 1piy n LYS 14 N -2.67 1.39 -2.45 1.13 5.02 -0.67 -4.74 118.16 115.17 1piy n LYS 14 Ca 0.05 -0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 55.22 1piy n LYS 14 Cb 0.47 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1piy n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1piy s GLU 15 N -2.25 3.90 0.79 1.97 0.41 -1.20 -5.05 118.70 117.25 1piy s GLU 15 Ca 0.15 1.07 -0.12 0.00 -0.41 0.00 0.00 54.97 55.66 1piy s GLU 15 Cb 0.15 -2.13 0.06 0.00 -1.78 0.00 0.00 34.13 30.44 1piy s GLU 15 CO 0.52 -0.32 1.13 -1.25 -0.49 0.00 0.00 175.26 174.86 1piy s PRO 16 N -3.79 2.18 0.22 0.39 0.04 -1.26 -4.91 135.00 127.88 1piy s PRO 16 Ca 0.61 0.34 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 1piy s PRO 16 Cb -0.11 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.67 1piy s PRO 16 CO 0.27 -1.49 1.89 0.52 0.04 0.00 0.00 177.00 178.24 1piy h MET 17 N -0.98 1.12 -5.53 4.56 2.86 -1.92 -3.38 114.93 111.65 1piy h MET 17 Ca -0.46 -0.07 -0.44 0.00 -2.06 0.00 0.00 59.70 56.67 1piy h MET 17 Cb 1.29 -0.25 -0.18 0.00 0.06 0.00 0.00 31.60 32.52 1piy h MET 17 CO 0.64 0.75 -0.76 -0.06 1.06 0.00 0.00 176.91 178.53 1piy s PHE 18 N -6.11 1.49 -0.10 -0.22 0.08 -1.26 -0.75 117.98 111.11 1piy s PHE 18 Ca -0.13 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1piy s PHE 18 Cb 0.16 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 1piy s PHE 18 CO 0.80 0.18 0.00 1.19 -0.10 0.00 0.00 175.22 177.29 1piy n PHE 19 N 0.47 0.00 -0.96 0.36 3.72 0.14 -4.86 117.46 116.34 1piy n PHE 19 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1piy n PHE 19 Cb 0.57 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1piy n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1piy n GLY 20 N -1.03 0.95 3.73 1.37 0.00 -1.26 -5.01 105.19 103.94 1piy n GLY 20 Ca -0.01 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1piy n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1piy s GLN 21 N 1.84 4.43 0.48 1.61 0.74 -1.26 -4.83 119.66 122.68 1piy s GLN 21 Ca 0.00 1.95 -0.23 0.00 0.05 0.00 0.00 55.36 57.13 1piy s GLN 21 Cb 0.00 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.79 1piy s GLN 21 CO 0.00 -0.20 1.09 -2.30 -0.55 0.00 0.00 175.29 173.33 1piy n PRO 22 N 2.83 1.41 -1.95 1.67 -0.02 -1.26 -4.49 135.00 133.19 1piy n PRO 22 Ca 0.06 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1piy n PRO 22 Cb 0.44 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1piy n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1piy s VAL 23 N -1.32 2.73 0.00 -1.45 1.01 -1.25 -4.45 120.40 115.67 1piy s VAL 23 Ca 0.66 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1piy s VAL 23 Cb -0.50 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1piy s VAL 23 CO 0.54 0.03 0.00 -0.46 0.00 0.00 0.00 175.10 175.21 1piy n ASN 24 N 4.21 0.00 -4.72 3.32 0.23 -1.26 -4.52 115.26 112.52 1piy n ASN 24 Ca 0.14 0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 53.78 1piy n ASN 24 Cb 0.39 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1piy n ASN 24 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1piy s VAL 25 N -0.20 4.72 -0.51 3.53 1.01 -1.26 -4.93 120.40 122.77 1piy s VAL 25 Ca 0.00 2.05 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 1piy s VAL 25 Cb 0.00 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1piy s VAL 25 CO 0.00 0.23 0.75 0.00 0.00 0.00 0.00 175.10 176.08 1piy s ALA 26 N 0.57 3.30 0.07 5.51 0.00 -1.26 -4.84 121.76 125.11 1piy s ALA 26 Ca 0.49 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1piy s ALA 26 Cb -0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1piy s ALA 26 CO 0.28 -2.11 -0.15 -0.98 0.00 0.00 0.00 175.76 172.81 1piy s ARG 27 N 3.15 0.87 -0.05 0.00 1.70 -1.26 -5.06 118.95 118.29 1piy s ARG 27 Ca 0.22 -0.96 0.10 0.00 -0.47 0.00 0.00 55.73 54.62 1piy s ARG 27 Cb -0.16 -0.91 0.18 0.00 -0.57 0.00 0.00 34.95 33.49 1piy s ARG 27 CO 0.16 0.20 1.09 0.66 -1.08 0.00 0.00 175.30 176.33 1piy n TYR 28 N 1.31 0.00 0.63 5.89 4.01 -1.26 -4.68 117.16 123.06 1piy n TYR 28 Ca -0.21 -0.48 0.12 0.00 -0.16 0.00 0.00 57.90 57.17 1piy n TYR 28 Cb 0.54 -0.11 0.21 0.00 -0.31 0.00 0.00 39.34 39.67 1piy n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1piy n ASP 29 N -0.42 0.67 -3.70 7.72 5.75 -1.26 -4.90 116.55 120.40 1piy n ASP 29 Ca 0.07 0.12 -0.12 0.00 -0.01 0.00 0.00 54.79 54.85 1piy n ASP 29 Cb 0.75 0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.86 1piy n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1piy s GLN 30 N -3.14 0.88 -0.10 0.11 -2.07 -1.26 -5.18 119.66 108.90 1piy s GLN 30 Ca 0.07 -0.42 -0.21 0.00 -1.82 0.00 0.00 55.36 52.98 1piy s GLN 30 Cb 0.14 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.49 1piy s GLN 30 CO 0.71 -0.29 0.50 1.14 -1.32 0.00 0.00 175.29 176.02 1piy s GLN 31 N -2.52 0.76 0.15 9.60 0.00 -1.26 -4.91 119.66 121.48 1piy s GLN 31 Ca -0.05 0.30 -0.11 0.00 -0.00 0.00 0.00 55.36 55.50 1piy s GLN 31 Cb -0.01 0.36 0.01 0.00 0.00 0.00 0.00 33.01 33.37 1piy s GLN 31 CO -0.03 -0.18 1.57 -0.22 0.00 0.00 0.00 175.29 176.43 1piy h LYS 32 N 4.19 0.94 -4.31 9.60 3.64 -1.85 -3.40 116.57 125.37 1piy h LYS 32 Ca -0.28 -0.35 -0.61 0.00 -1.27 0.00 0.00 60.65 58.14 1piy h LYS 32 Cb 1.16 -0.06 -0.38 0.00 -0.41 0.00 0.00 32.23 32.55 1piy h LYS 32 CO 0.31 1.02 -0.78 0.71 -2.27 0.00 0.00 179.45 178.43 1piy s TYR 33 N -4.82 2.32 0.42 1.91 2.02 -1.26 -5.01 117.35 112.93 1piy s TYR 33 Ca -0.12 -1.71 0.11 0.00 -0.37 0.00 0.00 57.07 54.98 1piy s TYR 33 Cb 0.12 -1.55 0.96 0.00 -0.40 0.00 0.00 41.96 41.09 1piy s TYR 33 CO 0.85 -0.77 1.99 -0.44 -1.57 0.00 0.00 175.55 175.62 1piy h ASP 34 N 7.97 0.42 -0.96 2.29 3.45 -2.00 -3.07 116.42 124.52 1piy h ASP 34 Ca -0.18 0.00 0.17 0.00 0.43 0.00 0.00 57.03 57.45 1piy h ASP 34 Cb 1.07 -0.09 -0.10 0.00 -0.56 0.00 0.00 39.33 39.66 1piy h ASP 34 CO 0.41 0.27 0.57 -0.29 -1.57 0.00 0.00 179.24 178.63 1piy h ILE 35 N 0.48 0.75 -0.16 0.35 6.09 -1.98 -0.88 117.51 122.16 1piy h ILE 35 Ca 0.25 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 63.37 1piy h ILE 35 Cb 0.37 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.56 1piy h ILE 35 CO -0.07 0.14 -0.36 -0.26 -3.07 0.00 0.00 178.15 174.53 1piy h PHE 36 N 0.77 0.39 -0.19 2.19 0.04 -1.88 0.10 116.94 118.37 1piy h PHE 36 Ca 0.54 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 61.08 1piy h PHE 36 Cb 0.76 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1piy h PHE 36 CO -0.03 0.66 -0.39 1.49 -0.60 0.00 0.00 178.31 179.44 1piy h GLU 37 N 0.29 0.61 -0.43 1.51 4.57 -1.46 -1.37 114.58 118.30 1piy h GLU 37 Ca 0.03 -0.40 -0.05 0.00 -1.18 0.00 0.00 59.36 57.77 1piy h GLU 37 Cb 0.77 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1piy h GLU 37 CO 0.06 1.01 0.08 0.87 -1.18 0.00 0.00 179.01 179.85 1piy h LYS 38 N 0.28 0.66 -0.39 1.92 6.56 -0.94 -0.37 116.57 124.29 1piy h LYS 38 Ca 0.01 -0.13 -0.11 0.00 -1.06 0.00 0.00 60.65 59.36 1piy h LYS 38 Cb 1.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1piy h LYS 38 CO 0.09 0.62 -0.19 -0.07 -2.06 0.00 0.00 179.45 177.84 1piy h LEU 39 N 0.63 0.84 -0.15 2.94 3.38 -0.66 -0.81 115.31 121.48 1piy h LEU 39 Ca 0.14 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1piy h LEU 39 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1piy h LEU 39 CO 0.00 1.06 0.08 0.40 0.09 0.00 0.00 178.44 180.07 1piy h ILE 40 N 0.62 1.00 -0.17 1.22 2.04 -0.70 0.42 117.51 121.94 1piy h ILE 40 Ca 0.09 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1piy h ILE 40 Cb 0.74 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1piy h ILE 40 CO 0.06 0.03 -0.03 -0.33 0.00 0.00 0.00 178.15 177.88 1piy h GLU 41 N 0.16 0.02 -0.34 2.37 5.08 -0.95 -1.10 114.58 119.83 1piy h GLU 41 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1piy h GLU 41 Cb 0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1piy h GLU 41 CO -0.04 0.01 0.20 0.87 -1.00 0.00 0.00 179.01 179.05 1piy h LYS 42 N 0.02 0.45 -0.77 2.33 1.79 -0.88 -1.49 116.57 118.03 1piy h LYS 42 Ca 0.08 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1piy h LYS 42 Cb 0.12 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1piy h LYS 42 CO -0.16 0.34 0.50 0.37 -1.08 0.00 0.00 179.45 179.42 1piy h GLN 43 N 0.44 0.98 -0.47 3.15 5.75 -0.64 -1.32 115.11 122.99 1piy h GLN 43 Ca 0.12 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1piy h GLN 43 Cb 0.00 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 1piy h GLN 43 CO -0.02 0.65 0.02 -0.07 -2.65 0.00 0.00 178.83 176.75 1piy h LEU 44 N 1.01 0.73 -1.57 -2.39 3.38 -0.99 -2.02 115.31 113.46 1piy h LEU 44 Ca 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1piy h LEU 44 Cb -0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1piy h LEU 44 CO -0.08 0.79 -0.06 0.77 0.09 0.00 0.00 178.44 179.94 1piy h SER 45 N 0.72 0.00 -0.28 -0.43 4.64 -0.29 -2.63 113.55 115.28 1piy h SER 45 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1piy h SER 45 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1piy h SER 45 CO 0.02 0.06 0.00 0.49 -0.87 0.00 0.00 176.83 176.53 1piy n PHE 46 N -3.22 0.36 -1.61 4.77 3.72 -0.59 -4.98 117.46 115.92 1piy n PHE 46 Ca -0.00 -0.18 -0.50 0.00 -0.05 0.00 0.00 57.45 56.72 1piy n PHE 46 Cb 0.30 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.79 1piy n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1piy n PHE 47 N 0.79 1.66 -4.02 1.38 7.35 -0.99 -4.98 117.46 118.65 1piy n PHE 47 Ca 0.17 0.56 -0.08 0.00 -0.76 0.00 0.00 57.45 57.34 1piy n PHE 47 Cb 0.43 -2.37 -0.10 0.00 0.35 0.00 0.00 39.48 37.79 1piy n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1piy s TRP 48 N 0.46 0.38 -0.20 -5.13 1.48 -1.26 -5.13 118.94 109.54 1piy s TRP 48 Ca 0.81 -0.84 -0.00 0.00 -1.06 0.00 0.00 56.10 55.01 1piy s TRP 48 Cb -0.87 -0.28 0.02 0.00 -1.16 0.00 0.00 33.47 31.18 1piy s TRP 48 CO 0.46 -0.38 -0.15 1.03 -4.06 0.00 0.00 176.95 173.85 1piy s ARG 49 N -3.38 3.03 0.32 3.25 0.52 -1.26 -5.02 118.95 116.41 1piy s ARG 49 Ca 0.02 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1piy s ARG 49 Cb 0.04 -2.71 0.59 0.00 0.52 0.00 0.00 34.95 33.38 1piy s ARG 49 CO -0.08 -0.24 1.95 -1.00 0.02 0.00 0.00 175.30 175.95 1piy h PRO 50 N 7.98 0.92 0.00 3.54 0.13 -1.95 -2.16 132.00 140.46 1piy h PRO 50 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1piy h PRO 50 Cb 1.14 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1piy h PRO 50 CO 0.62 0.61 0.12 0.93 -0.23 0.00 0.00 178.00 180.05 1piy h GLU 51 N 0.95 0.00 -0.00 0.86 3.07 -1.95 0.50 114.58 118.00 1piy h GLU 51 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1piy h GLU 51 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1piy h GLU 51 CO -0.11 0.00 -0.05 0.39 -1.40 0.00 0.00 179.01 177.84 1piy n GLU 52 N -2.80 0.93 -3.54 2.33 -0.58 -0.81 -4.78 120.64 111.39 1piy n GLU 52 Ca -0.02 -0.29 -0.36 0.00 -0.42 0.00 0.00 57.16 56.07 1piy n GLU 52 Cb 0.18 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.48 1piy n GLU 52 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1piy s VAL 53 N -2.27 5.31 -0.37 2.62 1.01 0.17 -5.04 120.40 121.82 1piy s VAL 53 Ca 0.36 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 1piy s VAL 53 Cb 0.21 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1piy s VAL 53 CO 0.42 0.38 1.22 -0.62 0.00 0.00 0.00 175.10 176.50 1piy s ASP 54 N 0.54 6.67 -0.09 3.32 3.68 -1.26 -4.85 116.67 124.68 1piy s ASP 54 Ca 0.16 0.89 0.12 0.00 2.13 0.00 0.00 52.55 55.86 1piy s ASP 54 Cb -0.13 -2.54 0.24 0.00 -1.45 0.00 0.00 42.92 39.04 1piy s ASP 54 CO 0.04 -1.14 1.16 1.33 0.13 0.00 0.00 175.17 176.69 1piy n VAL 55 N 6.45 1.61 0.25 1.11 0.24 -1.26 -4.24 118.33 122.49 1piy n VAL 55 Ca 0.14 -1.72 0.17 0.00 -2.04 0.00 0.00 64.34 60.88 1piy n VAL 55 Cb 0.48 0.04 0.89 0.00 -1.47 0.00 0.00 33.84 33.78 1piy n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1piy h SER 56 N 0.46 0.00 -0.01 -1.34 4.64 -1.92 -2.25 113.55 113.13 1piy h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1piy h SER 56 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1piy h SER 56 CO 0.03 0.00 -0.52 -1.14 -0.87 0.00 0.00 176.83 174.34 1piy n ARG 57 N -3.70 1.15 0.20 4.77 0.63 -1.26 -4.24 116.66 114.21 1piy n ARG 57 Ca -0.00 -0.89 0.05 0.00 -0.92 0.00 0.00 57.85 56.09 1piy n ARG 57 Cb 0.24 -1.46 0.42 0.00 0.45 0.00 0.00 32.46 32.11 1piy n ARG 57 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1piy h ASP 58 N 2.16 0.00 0.62 6.15 5.19 -1.73 -2.62 116.42 126.19 1piy h ASP 58 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1piy h ASP 58 Cb 0.72 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 1piy h ASP 58 CO 0.00 0.33 -0.43 -0.09 -3.12 0.00 0.00 179.24 175.93 1piy h ARG 59 N 0.00 -0.97 -0.71 3.56 9.65 -1.71 -0.26 114.38 123.94 1piy h ARG 59 Ca -0.00 0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1piy h ARG 59 Cb 0.67 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 29.43 1piy h ARG 59 CO 0.04 -0.65 0.33 0.97 2.80 0.00 0.00 179.97 183.47 1piy h ILE 60 N -1.01 1.24 -0.45 1.20 -0.00 -1.81 -1.94 117.51 114.73 1piy h ILE 60 Ca -0.08 -0.69 0.04 0.00 -0.00 0.00 0.00 64.86 64.14 1piy h ILE 60 Cb 0.83 0.37 -0.04 0.00 -0.00 0.00 0.00 36.82 37.97 1piy h ILE 60 CO 0.05 0.28 0.22 0.44 -0.00 0.00 0.00 178.15 179.14 1piy h ASP 61 N 1.00 0.31 -0.65 2.19 3.32 -1.32 -1.18 116.42 120.08 1piy h ASP 61 Ca 0.24 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1piy h ASP 61 Cb 0.14 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1piy h ASP 61 CO -0.03 0.22 0.18 0.22 -1.72 0.00 0.00 179.24 178.11 1piy h TYR 62 N 0.43 1.09 -0.38 4.55 3.20 -0.73 -2.27 116.97 122.86 1piy h TYR 62 Ca 0.20 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1piy h TYR 62 Cb 0.12 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1piy h TYR 62 CO -0.11 0.88 -0.27 1.96 -1.64 0.00 0.00 178.16 178.99 1piy h GLN 63 N 1.01 0.79 0.00 1.82 1.08 -0.99 -2.99 115.11 115.82 1piy h GLN 63 Ca 0.22 -0.34 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1piy h GLN 63 Cb 0.33 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1piy h GLN 63 CO -0.00 0.96 -0.16 0.00 -0.95 0.00 0.00 178.83 178.68 1piy h ALA 64 N 1.02 1.00 -3.02 3.87 0.00 -0.99 -3.46 119.26 117.68 1piy h ALA 64 Ca 0.08 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1piy h ALA 64 Cb 0.79 -0.03 0.13 0.00 0.00 0.00 0.00 17.79 18.69 1piy h ALA 64 CO 0.07 0.20 0.66 -0.51 0.00 0.00 0.00 179.25 179.67 1piy s LEU 65 N -6.57 3.97 0.81 0.00 1.43 -0.88 -4.96 118.68 112.48 1piy s LEU 65 Ca 0.01 2.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1piy s LEU 65 Cb 0.09 -4.12 0.09 0.00 0.03 0.00 0.00 46.19 42.28 1piy s LEU 65 CO 0.62 -1.42 1.16 -2.84 0.23 0.00 0.00 176.35 174.11 1piy s PRO 66 N -2.71 1.68 0.23 1.29 0.02 -1.26 -4.71 135.00 129.53 1piy s PRO 66 Ca 0.67 1.58 -0.06 0.00 0.02 0.00 0.00 61.00 63.21 1piy s PRO 66 Cb -0.42 -1.80 0.33 0.00 0.02 0.00 0.00 34.50 32.63 1piy s PRO 66 CO 0.52 -2.15 1.80 0.93 -0.33 0.00 0.00 177.00 177.77 1piy h GLU 67 N -1.09 0.68 -0.05 5.54 4.39 -1.95 -1.61 114.58 120.49 1piy h GLU 67 Ca -0.45 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 1piy h GLU 67 Cb 1.27 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1piy h GLU 67 CO 0.46 0.45 -0.24 1.12 -1.16 0.00 0.00 179.01 179.64 1piy h HIS 68 N 0.70 0.09 -0.02 4.33 2.07 -1.91 -1.93 115.15 118.50 1piy h HIS 68 Ca 0.35 -0.01 -0.17 0.00 -2.85 0.00 0.00 60.37 57.69 1piy h HIS 68 Cb 0.31 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 1piy h HIS 68 CO -0.08 0.33 -0.76 0.93 -3.07 0.00 0.00 177.93 175.28 1piy h GLU 69 N 0.08 0.14 -0.53 5.12 5.08 -1.69 -1.60 114.58 121.18 1piy h GLU 69 Ca 0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1piy h GLU 69 Cb 0.48 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1piy h GLU 69 CO 0.03 0.83 0.15 0.87 -1.00 0.00 0.00 179.01 179.89 1piy h LYS 70 N 0.09 0.84 -0.49 2.33 1.57 -0.75 -0.65 116.57 119.51 1piy h LYS 70 Ca -0.02 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1piy h LYS 70 Cb 1.33 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1piy h LYS 70 CO 0.11 0.78 0.32 1.25 -0.57 0.00 0.00 179.45 181.34 1piy h HIS 71 N 0.74 0.60 0.30 -1.35 2.76 -1.19 0.86 115.15 117.88 1piy h HIS 71 Ca 0.17 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1piy h HIS 71 Cb 0.31 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1piy h HIS 71 CO 0.02 0.37 -0.14 0.82 -1.30 0.00 0.00 177.93 177.70 1piy h ILE 72 N 0.65 0.71 -0.07 6.26 2.04 -0.96 -0.78 117.51 125.36 1piy h ILE 72 Ca 0.18 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1piy h ILE 72 Cb -0.06 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1piy h ILE 72 CO -0.05 0.01 0.04 0.15 0.00 0.00 0.00 178.15 178.31 1piy h PHE 73 N -0.43 0.10 -0.15 1.37 3.57 -0.89 -2.11 116.94 118.40 1piy h PHE 73 Ca -0.04 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1piy h PHE 73 Cb 0.33 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1piy h PHE 73 CO -0.05 0.12 -0.48 0.97 -2.23 0.00 0.00 178.31 176.64 1piy h ILE 74 N 0.05 1.33 -0.55 1.41 6.09 -0.84 -1.62 117.51 123.38 1piy h ILE 74 Ca 0.03 -1.70 -0.10 0.00 -1.37 0.00 0.00 64.86 61.72 1piy h ILE 74 Cb 0.05 1.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1piy h ILE 74 CO -0.00 0.52 -0.05 0.28 -3.07 0.00 0.00 178.15 175.82 1piy h SER 75 N 0.31 1.01 -0.30 2.19 0.02 -1.10 -0.66 113.55 115.01 1piy h SER 75 Ca 0.02 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 1piy h SER 75 Cb 0.96 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1piy h SER 75 CO 0.08 1.10 0.01 -1.13 -1.14 0.00 0.00 176.83 175.75 1piy h ASN 76 N 0.89 0.52 -0.48 3.07 -1.24 -1.27 -2.19 115.58 114.89 1piy h ASN 76 Ca 0.15 -0.30 -0.03 0.00 0.71 0.00 0.00 56.30 56.83 1piy h ASN 76 Cb 0.61 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 1piy h ASN 76 CO 0.04 0.69 0.19 0.25 -1.29 0.00 0.00 177.43 177.31 1piy h LEU 77 N 0.33 0.70 -0.76 0.34 5.85 -1.14 -1.30 115.31 119.33 1piy h LEU 77 Ca 0.09 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1piy h LEU 77 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1piy h LEU 77 CO 0.01 0.65 0.01 0.11 -0.34 0.00 0.00 178.44 178.88 1piy h LYS 78 N 0.76 0.94 -0.50 1.25 1.57 -0.92 -1.10 116.57 118.57 1piy h LYS 78 Ca 0.18 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1piy h LYS 78 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1piy h LYS 78 CO -0.01 0.93 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.76 1piy h TYR 79 N 0.87 1.08 -0.71 -1.35 3.20 -0.74 -0.88 116.97 118.44 1piy h TYR 79 Ca 0.16 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1piy h TYR 79 Cb 0.51 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1piy h TYR 79 CO 0.03 1.03 0.31 1.96 -1.64 0.00 0.00 178.16 179.85 1piy h GLN 80 N 0.82 1.05 -0.84 1.82 4.20 -1.03 -0.83 115.11 120.29 1piy h GLN 80 Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1piy h GLN 80 Cb 0.68 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1piy h GLN 80 CO 0.05 0.85 0.44 1.15 -0.67 0.00 0.00 178.83 180.64 1piy h THR 81 N 1.01 1.25 -0.09 -0.54 2.02 -0.93 -1.63 112.91 113.99 1piy h THR 81 Ca 0.24 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1piy h THR 81 Cb 0.17 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1piy h THR 81 CO -0.02 0.29 0.04 0.25 0.37 0.00 0.00 175.52 176.45 1piy h LEU 82 N 1.18 0.13 -0.45 2.58 7.12 -0.66 -1.26 115.31 123.96 1piy h LEU 82 Ca 0.29 -0.15 0.05 0.00 0.13 0.00 0.00 57.88 58.20 1piy h LEU 82 Cb 0.07 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.12 1piy h LEU 82 CO -0.04 0.25 0.19 -0.07 -0.13 0.00 0.00 178.44 178.64 1piy h LEU 83 N 0.00 0.25 -0.61 2.25 3.38 -0.84 -2.07 115.31 117.68 1piy h LEU 83 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1piy h LEU 83 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1piy h LEU 83 CO -0.00 0.18 -0.21 0.44 0.09 0.00 0.00 178.44 178.94 1piy h ASP 84 N 0.39 0.00 -0.20 -0.43 3.32 -1.25 -0.37 116.42 117.87 1piy h ASP 84 Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1piy h ASP 84 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1piy h ASP 84 CO -0.17 0.21 0.02 0.28 -1.72 0.00 0.00 179.24 177.86 1piy h SER 85 N 0.00 0.32 -0.45 6.45 0.02 -0.71 -0.03 113.55 119.15 1piy h SER 85 Ca -0.00 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1piy h SER 85 Cb 0.94 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1piy h SER 85 CO 0.03 0.51 -0.03 0.40 -1.14 0.00 0.00 176.83 176.60 1piy h ILE 86 N 0.12 1.27 0.00 3.27 2.04 -1.25 -3.11 117.51 119.84 1piy h ILE 86 Ca 0.06 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1piy h ILE 86 Cb 0.33 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1piy h ILE 86 CO 0.01 0.38 0.00 1.56 0.00 0.00 0.00 178.15 180.09 1piy h GLN 87 N 0.65 0.00 -0.04 2.37 1.08 -0.94 -0.90 115.11 117.32 1piy h GLN 87 Ca 0.12 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.16 1piy h GLN 87 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1piy h GLN 87 CO 0.03 0.00 -0.71 0.78 -0.95 0.00 0.00 178.83 177.98 1piy h GLY 88 N 2.96 0.25 0.00 3.46 0.00 -0.92 -3.39 103.07 105.43 1piy h GLY 88 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.71 1piy h GLY 88 CO 0.00 0.32 -2.01 -0.96 0.00 0.00 0.00 176.54 173.89 1piy n ARG 89 N -3.79 0.81 -0.21 4.80 1.85 -1.15 -4.66 116.66 114.32 1piy n ARG 89 Ca -0.03 0.07 -0.06 0.00 -1.00 0.00 0.00 57.85 56.83 1piy n ARG 89 Cb 0.69 -1.36 0.03 0.00 -1.05 0.00 0.00 32.46 30.78 1piy n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1piy h SER 90 N 0.00 0.71 -0.81 2.89 0.02 -1.35 -1.66 113.55 113.35 1piy h SER 90 Ca -0.40 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1piy h SER 90 Cb 1.69 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 64.01 1piy h SER 90 CO -0.04 0.56 0.53 -0.65 -1.14 0.00 0.00 176.83 176.09 1piy h PRO 91 N 0.80 0.95 0.28 3.45 0.11 -1.80 0.12 132.00 135.91 1piy h PRO 91 Ca 0.21 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1piy h PRO 91 Cb -0.02 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1piy h PRO 91 CO -0.04 0.63 -0.14 -0.91 -0.21 0.00 0.00 178.00 177.33 1piy h ASN 92 N 0.98 -0.32 -0.15 -2.05 2.35 -1.76 -0.34 115.58 114.29 1piy h ASN 92 Ca 0.32 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1piy h ASN 92 Cb 0.06 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1piy h ASN 92 CO -0.10 0.05 -0.16 0.58 -1.65 0.00 0.00 177.43 176.15 1piy h VAL 93 N -0.73 1.25 0.16 2.81 2.07 -1.10 -2.73 116.25 117.98 1piy h VAL 93 Ca -0.04 -1.13 -0.35 0.00 0.82 0.00 0.00 66.70 66.00 1piy h VAL 93 Cb 0.49 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1piy h VAL 93 CO 0.06 0.37 -1.77 0.00 0.02 0.00 0.00 177.57 176.25 1piy h ALA 94 N 1.33 0.23 0.06 1.67 0.00 -0.83 -3.42 119.26 118.30 1piy h ALA 94 Ca 0.08 -1.19 -0.37 0.00 0.00 0.00 0.00 54.91 53.43 1piy h ALA 94 Cb 0.57 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1piy h ALA 94 CO 0.04 1.10 -2.19 1.28 0.00 0.00 0.00 179.25 179.48 1piy n LEU 95 N -3.54 2.54 -0.32 0.00 4.77 -0.14 -4.49 117.00 115.82 1piy n LEU 95 Ca -0.25 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1piy n LEU 95 Cb 1.07 -0.88 0.30 0.00 -2.33 0.00 0.00 43.42 41.58 1piy n LEU 95 CO 0.50 0.84 1.10 -0.07 -1.33 0.00 0.00 177.39 178.43 1piy h LEU 96 N 0.04 0.51 0.00 2.23 4.07 -1.52 0.22 115.31 120.86 1piy h LEU 96 Ca -0.48 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1piy h LEU 96 Cb 1.99 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.79 1piy h LEU 96 CO 0.01 0.12 0.00 -2.65 -1.08 0.00 0.00 178.44 174.84 1piy n PRO 97 N -4.93 0.34 -0.00 1.13 -0.02 -1.26 -3.13 135.00 127.12 1piy n PRO 97 Ca 0.22 0.08 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1piy n PRO 97 Cb 0.60 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 1piy n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1piy n LEU 98 N -1.17 0.05 -4.76 2.45 4.77 0.70 -4.98 117.00 114.06 1piy n LEU 98 Ca 0.09 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.32 1piy n LEU 98 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1piy n LEU 98 CO 0.11 0.01 0.78 -0.63 -1.33 0.00 0.00 177.39 176.33 1piy s ILE 99 N -1.42 3.53 0.00 -0.08 1.01 -0.80 -0.68 121.20 122.76 1piy s ILE 99 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1piy s ILE 99 Cb 0.01 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1piy s ILE 99 CO 0.06 0.36 0.72 -0.24 0.00 0.00 0.00 174.94 175.84 1piy n SER 100 N 1.26 1.42 -4.04 3.58 2.88 0.07 -3.86 113.62 114.93 1piy n SER 100 Ca -0.01 -1.46 -0.22 0.00 -1.33 0.00 0.00 58.87 55.85 1piy n SER 100 Cb 0.45 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.75 1piy n SER 100 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1piy s ILE 101 N -0.46 0.99 0.27 2.46 -4.36 -1.26 -4.59 121.20 114.25 1piy s ILE 101 Ca 0.00 -0.47 -0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1piy s ILE 101 Cb 0.00 -0.87 0.26 0.00 1.25 0.00 0.00 42.46 43.10 1piy s ILE 101 CO 0.00 0.30 1.81 1.55 0.24 0.00 0.00 174.94 178.84 1piy h PRO 102 N 6.38 0.83 -0.30 0.37 0.13 -1.88 -2.22 132.00 135.30 1piy h PRO 102 Ca -0.33 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1piy h PRO 102 Cb 1.17 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1piy h PRO 102 CO 0.48 0.55 -0.11 1.05 -0.23 0.00 0.00 178.00 179.74 1piy h GLU 103 N 0.85 0.51 -0.06 0.86 9.09 -1.91 -1.64 114.58 122.28 1piy h GLU 103 Ca 0.47 -0.14 -0.24 0.00 0.05 0.00 0.00 59.36 59.50 1piy h GLU 103 Cb 0.53 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1piy h GLU 103 CO -0.29 0.62 -0.91 1.25 0.05 0.00 0.00 179.01 179.73 1piy h LEU 104 N 0.47 0.81 -0.02 3.06 5.85 -1.84 -1.64 115.31 122.00 1piy h LEU 104 Ca 0.09 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1piy h LEU 104 Cb 0.47 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1piy h LEU 104 CO 0.03 1.39 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.44 1piy h GLU 105 N 0.40 0.01 -0.08 1.25 4.81 -1.14 -0.69 114.58 119.14 1piy h GLU 105 Ca -0.09 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1piy h GLU 105 Cb 1.55 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1piy h GLU 105 CO 0.18 0.00 -0.44 1.15 -0.73 0.00 0.00 179.01 179.17 1piy h THR 106 N 0.01 1.32 -0.33 0.32 2.02 -1.35 -2.35 112.91 112.55 1piy h THR 106 Ca 0.01 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1piy h THR 106 Cb 0.01 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1piy h THR 106 CO -0.02 0.46 0.11 -0.25 0.37 0.00 0.00 175.52 176.20 1piy h TRP 107 N 0.15 0.53 -0.84 3.16 -0.00 -0.94 0.16 115.95 118.16 1piy h TRP 107 Ca 0.01 -0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1piy h TRP 107 Cb 0.84 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.80 1piy h TRP 107 CO 0.01 0.51 0.55 0.28 -0.00 0.00 0.00 178.44 179.79 1piy h VAL 108 N 0.39 1.18 -0.15 2.65 2.07 -0.89 0.35 116.25 121.85 1piy h VAL 108 Ca 0.11 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1piy h VAL 108 Cb 0.23 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1piy h VAL 108 CO -0.01 0.20 -0.40 -0.33 0.02 0.00 0.00 177.57 177.06 1piy h GLU 109 N 1.10 0.32 -0.16 1.57 5.08 -1.14 0.01 114.58 121.36 1piy h GLU 109 Ca 0.32 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1piy h GLU 109 Cb -0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1piy h GLU 109 CO -0.09 0.67 -0.34 1.15 -1.00 0.00 0.00 179.01 179.40 1piy h THR 110 N 0.27 1.35 0.12 1.13 2.02 -0.17 -1.40 112.91 116.23 1piy h THR 110 Ca 0.03 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1piy h THR 110 Cb 0.82 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1piy h THR 110 CO 0.07 0.48 -0.12 -0.25 0.37 0.00 0.00 175.52 176.07 1piy h TRP 111 N 0.14 -0.30 -0.61 3.16 7.01 -0.19 -0.47 115.95 124.69 1piy h TRP 111 Ca 0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1piy h TRP 111 Cb 0.95 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.08 1piy h TRP 111 CO 0.10 -0.18 0.37 0.00 -2.79 0.00 0.00 178.44 175.93 1piy h ALA 112 N 0.61 0.79 -0.69 2.65 0.00 -1.01 -2.09 119.26 119.52 1piy h ALA 112 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1piy h ALA 112 Cb 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1piy h ALA 112 CO -0.03 0.10 0.42 0.35 0.00 0.00 0.00 179.25 180.08 1piy h PHE 113 N 0.72 0.78 -0.07 0.00 3.57 -0.85 -1.17 116.94 119.92 1piy h PHE 113 Ca 0.25 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1piy h PHE 113 Cb 0.04 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1piy h PHE 113 CO -0.06 0.43 0.00 0.66 -2.23 0.00 0.00 178.31 177.11 1piy h SER 114 N 0.81 0.09 0.27 0.41 4.64 -0.42 -0.84 113.55 118.51 1piy h SER 114 Ca 0.29 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1piy h SER 114 Cb 0.07 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1piy h SER 114 CO -0.13 0.11 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.17 1piy h GLU 115 N 0.10 0.22 0.00 4.77 4.39 -0.79 -2.48 114.58 120.78 1piy h GLU 115 Ca 0.03 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1piy h GLU 115 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1piy h GLU 115 CO 0.00 0.62 -0.32 1.79 -1.16 0.00 0.00 179.01 179.94 1piy h THR 116 N 0.18 1.15 -0.42 1.13 1.35 -0.82 -1.28 112.91 114.20 1piy h THR 116 Ca 0.01 -1.14 -0.13 0.00 -0.55 0.00 0.00 66.41 64.61 1piy h THR 116 Cb 0.86 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1piy h THR 116 CO 0.07 0.32 -0.25 0.40 -0.25 0.00 0.00 175.52 175.80 1piy h ILE 117 N 0.00 1.28 -0.25 6.82 1.08 -1.27 -1.35 117.51 123.81 1piy h ILE 117 Ca -0.00 -1.41 0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1piy h ILE 117 Cb 0.60 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1piy h ILE 117 CO 0.04 0.48 0.09 0.45 -0.69 0.00 0.00 178.15 178.52 1piy h HIS 118 N 0.73 0.17 -0.98 1.37 3.86 -1.08 0.10 115.15 119.33 1piy h HIS 118 Ca 0.09 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1piy h HIS 118 Cb 0.83 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 1piy h HIS 118 CO 0.06 0.08 0.63 0.77 0.86 0.00 0.00 177.93 180.33 1piy h SER 119 N 0.21 1.01 -0.41 2.45 0.02 -1.05 0.01 113.55 115.79 1piy h SER 119 Ca 0.11 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1piy h SER 119 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1piy h SER 119 CO -0.11 0.65 0.00 0.03 -1.14 0.00 0.00 176.83 176.26 1piy h ARG 120 N 1.15 0.80 -0.48 3.45 3.08 -0.30 -2.64 114.38 119.44 1piy h ARG 120 Ca 0.42 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 1piy h ARG 120 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1piy h ARG 120 CO -0.17 0.81 0.00 0.66 -1.07 0.00 0.00 179.97 180.20 1piy h SER 121 N 0.75 0.76 -0.53 7.04 4.64 0.10 -1.94 113.55 124.37 1piy h SER 121 Ca 0.15 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1piy h SER 121 Cb 0.46 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1piy h SER 121 CO 0.02 0.82 0.10 1.88 -0.87 0.00 0.00 176.83 178.78 1piy h TYR 122 N 0.74 0.96 -0.70 4.77 0.05 -0.92 -0.91 116.97 120.96 1piy h TYR 122 Ca 0.14 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1piy h TYR 122 Cb 0.45 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1piy h TYR 122 CO 0.02 0.82 0.31 1.15 -1.05 0.00 0.00 178.16 179.41 1piy h THR 123 N 0.87 1.24 -0.63 -2.88 2.02 -1.16 1.00 112.91 113.35 1piy h THR 123 Ca 0.18 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1piy h THR 123 Cb 0.37 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1piy h THR 123 CO 0.01 0.29 0.37 -0.74 0.37 0.00 0.00 175.52 175.81 1piy h HIS 124 N 0.98 0.68 0.44 3.16 -0.00 -0.58 -0.59 115.15 119.24 1piy h HIS 124 Ca 0.24 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.61 1piy h HIS 124 Cb 0.15 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1piy h HIS 124 CO 0.01 0.35 -0.21 0.82 -0.00 0.00 0.00 177.93 178.90 1piy h ILE 125 N 0.70 0.35 -0.52 6.26 2.04 -0.74 -3.15 117.51 122.46 1piy h ILE 125 Ca 0.27 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.66 1piy h ILE 125 Cb 0.11 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1piy h ILE 125 CO -0.14 0.07 0.09 0.40 0.00 0.00 0.00 178.15 178.56 1piy h ILE 126 N -1.00 0.69 0.00 -0.67 2.04 -0.73 -0.40 117.51 117.43 1piy h ILE 126 Ca -0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1piy h ILE 126 Cb 0.56 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1piy h ILE 126 CO 0.10 0.04 0.00 0.08 0.00 0.00 0.00 178.15 178.37 1piy h ARG 127 N 0.22 0.00 -0.39 2.37 0.11 -1.21 -2.15 114.38 113.33 1piy h ARG 127 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1piy h ARG 127 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1piy h ARG 127 CO -0.36 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.80 1piy n ASN 128 N -2.34 3.33 0.00 0.08 4.13 -0.19 -4.57 115.26 115.70 1piy n ASN 128 Ca 0.01 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1piy n ASN 128 Cb 0.16 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1piy n ASN 128 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1piy n ILE 129 N 1.31 0.00 -0.24 2.41 -5.35 -0.83 -3.99 119.36 112.67 1piy n ILE 129 Ca 0.18 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1piy n ILE 129 Cb 0.56 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 1piy n ILE 129 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1piy n VAL 130 N -0.38 0.00 0.00 7.28 0.24 -1.10 -4.87 118.33 119.50 1piy n VAL 130 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1piy n VAL 130 Cb 0.02 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1piy n VAL 130 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1piy n ASN 131 N -0.25 0.00 -3.71 -1.34 5.03 -1.26 -4.70 115.26 109.02 1piy n ASN 131 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 1piy n ASN 131 Cb 0.06 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.70 1piy n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1piy s ASP 132 N 0.00 3.56 0.47 6.41 3.68 -1.26 -4.98 116.67 124.55 1piy s ASP 132 Ca 0.00 -3.39 0.26 0.00 2.13 0.00 0.00 52.55 51.55 1piy s ASP 132 Cb 0.00 -1.17 1.31 0.00 -1.45 0.00 0.00 42.92 41.61 1piy s ASP 132 CO 0.00 -0.14 1.82 -0.65 0.13 0.00 0.00 175.17 176.32 1piy h PRO 133 N 5.72 0.19 -0.97 4.34 0.11 -1.86 -2.50 132.00 137.03 1piy h PRO 133 Ca 0.15 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.41 1piy h PRO 133 Cb 0.83 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.81 1piy h PRO 133 CO 0.57 0.13 0.61 0.77 -0.21 0.00 0.00 178.00 179.87 1piy h SER 134 N 0.20 0.75 -0.99 -2.05 0.02 -1.99 0.10 113.55 109.59 1piy h SER 134 Ca 0.53 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.55 1piy h SER 134 Cb 1.72 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 64.13 1piy h SER 134 CO -0.14 0.34 0.64 0.58 -1.14 0.00 0.00 176.83 177.11 1piy h VAL 135 N 0.77 1.26 0.02 2.27 2.07 -1.89 -0.79 116.25 119.96 1piy h VAL 135 Ca 0.51 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1piy h VAL 135 Cb 0.78 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1piy h VAL 135 CO -0.28 0.26 -0.01 0.58 0.02 0.00 0.00 177.57 178.14 1piy h VAL 136 N 1.35 1.34 -0.72 2.57 2.07 -1.18 -3.02 116.25 118.66 1piy h VAL 136 Ca 0.36 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1piy h VAL 136 Cb -0.13 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1piy h VAL 136 CO -0.08 0.29 0.28 -0.26 0.02 0.00 0.00 177.57 177.83 1piy h PHE 137 N -0.51 1.11 -0.51 1.57 0.04 -1.12 -2.97 116.94 114.56 1piy h PHE 137 Ca -0.00 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.61 1piy h PHE 137 Cb 0.49 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1piy h PHE 137 CO 0.09 0.85 0.03 -0.44 -0.60 0.00 0.00 178.31 178.24 1piy h ASP 138 N 1.04 0.79 0.38 2.17 3.32 -1.24 -2.50 116.42 120.39 1piy h ASP 138 Ca 0.24 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1piy h ASP 138 Cb 0.22 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1piy h ASP 138 CO -0.02 0.84 -0.04 -0.78 -1.72 0.00 0.00 179.24 177.52 1piy h ASP 139 N 0.78 0.00 -0.59 6.45 3.58 -1.38 -2.63 116.42 122.63 1piy h ASP 139 Ca 0.15 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1piy h ASP 139 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1piy h ASP 139 CO 0.02 0.04 0.15 0.40 -2.88 0.00 0.00 179.24 176.96 1piy h ILE 140 N 0.00 1.25 -0.02 2.25 2.04 -1.40 0.38 117.51 122.01 1piy h ILE 140 Ca -0.00 -0.90 -0.23 0.00 1.00 0.00 0.00 64.86 64.74 1piy h ILE 140 Cb 0.24 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1piy h ILE 140 CO 0.01 0.33 -0.92 1.62 0.00 0.00 0.00 178.15 179.19 1piy h VAL 141 N 0.86 1.37 0.00 1.67 3.04 -1.59 -3.36 116.25 118.24 1piy h VAL 141 Ca 0.19 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.53 1piy h VAL 141 Cb 0.35 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1piy h VAL 141 CO 0.00 0.71 -1.36 0.35 -1.01 0.00 0.00 177.57 176.25 1piy n THR 142 N -3.79 0.29 -1.57 3.17 -2.24 -1.15 -4.82 114.28 104.17 1piy n THR 142 Ca -0.07 -0.46 -0.45 0.00 -2.27 0.00 0.00 64.05 60.80 1piy n THR 142 Cb 0.82 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1piy n THR 142 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1piy n ASN 143 N -2.36 3.06 -0.22 3.42 5.15 0.13 -4.86 115.26 119.60 1piy n ASN 143 Ca -0.01 0.37 0.01 0.00 -0.60 0.00 0.00 54.58 54.35 1piy n ASN 143 Cb 0.53 -1.47 0.12 0.00 -0.53 0.00 0.00 39.78 38.43 1piy n ASN 143 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1piy h GLU 144 N 13.59 0.44 0.00 1.20 5.08 -1.91 0.50 114.58 133.48 1piy h GLU 144 Ca -0.39 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1piy h GLU 144 Cb 1.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1piy h GLU 144 CO 0.97 0.29 -0.14 0.37 -1.00 0.00 0.00 179.01 179.50 1piy h GLN 145 N 0.45 0.00 0.00 2.33 5.75 -1.98 -3.05 115.11 118.61 1piy h GLN 145 Ca 0.32 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.64 1piy h GLN 145 Cb 0.39 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1piy h GLN 145 CO -0.30 0.14 -1.03 0.82 -2.65 0.00 0.00 178.83 175.81 1piy h ILE 146 N 0.00 0.98 0.00 2.39 2.04 -1.71 -3.37 117.51 117.84 1piy h ILE 146 Ca -0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1piy h ILE 146 Cb 0.52 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1piy h ILE 146 CO 0.02 0.33 0.16 1.56 0.00 0.00 0.00 178.15 180.22 1piy h GLN 147 N -1.00 0.00 0.46 2.37 1.08 -0.94 -2.21 115.11 114.87 1piy h GLN 147 Ca -0.28 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 1piy h GLN 147 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1piy h GLN 147 CO -0.17 0.00 -0.29 0.87 -0.95 0.00 0.00 178.83 178.30 1piy h LYS 148 N 0.00 -0.68 -0.62 1.46 1.57 -1.70 -1.36 116.57 115.24 1piy h LYS 148 Ca 0.00 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1piy h LYS 148 Cb 0.33 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1piy h LYS 148 CO 0.00 -0.45 0.32 0.00 -0.57 0.00 0.00 179.45 178.75 1piy h ARG 149 N -0.70 0.86 0.03 3.15 -0.00 -1.65 -2.91 114.38 113.15 1piy h ARG 149 Ca -0.06 -0.10 0.03 0.00 -0.50 0.00 0.00 59.98 59.35 1piy h ARG 149 Cb 0.56 -0.17 -0.05 0.00 0.00 0.00 0.00 29.97 30.32 1piy h ARG 149 CO 0.06 0.65 -0.29 0.00 0.00 0.00 0.00 179.97 180.39 1piy h ALA 150 N 1.49 -0.43 -0.86 0.04 0.00 -1.33 -0.56 119.26 117.62 1piy h ALA 150 Ca 0.22 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1piy h ALA 150 Cb 0.05 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1piy h ALA 150 CO -0.03 -0.81 0.56 0.93 0.00 0.00 0.00 179.25 179.91 1piy h GLU 151 N -0.45 1.05 -0.73 0.00 4.39 -1.09 0.07 114.58 117.82 1piy h GLU 151 Ca 0.06 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1piy h GLU 151 Cb 0.53 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1piy h GLU 151 CO -0.23 0.69 0.24 0.78 -1.16 0.00 0.00 179.01 179.33 1piy h GLY 152 N 1.08 1.20 0.52 -3.84 0.00 -1.18 -0.28 103.07 100.57 1piy h GLY 152 Ca 0.34 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1piy h GLY 152 CO -0.10 0.65 -0.09 -2.22 0.00 0.00 0.00 176.54 174.78 1piy h ILE 153 N 1.08 1.45 -0.39 2.60 2.04 -0.55 -3.23 117.51 120.50 1piy h ILE 153 Ca 0.24 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 1piy h ILE 153 Cb 0.29 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1piy h ILE 153 CO -0.01 0.40 0.22 0.28 0.00 0.00 0.00 178.15 179.04 1piy h SER 154 N -0.41 0.46 -0.09 1.72 0.02 -0.93 -2.94 113.55 111.39 1piy h SER 154 Ca -0.00 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1piy h SER 154 Cb 0.69 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1piy h SER 154 CO 0.02 0.37 -0.05 0.28 -1.14 0.00 0.00 176.83 176.31 1piy h SER 155 N 0.53 -0.16 -0.55 3.07 0.02 -1.06 0.40 113.55 115.81 1piy h SER 155 Ca 0.14 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1piy h SER 155 Cb -0.00 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1piy h SER 155 CO -0.03 -0.07 0.29 1.88 -1.14 0.00 0.00 176.83 177.77 1piy h TYR 156 N -0.05 0.54 0.04 3.45 0.05 -1.55 -0.35 116.97 119.10 1piy h TYR 156 Ca 0.05 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1piy h TYR 156 Cb 0.12 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1piy h TYR 156 CO -0.16 0.28 -0.02 1.88 -1.05 0.00 0.00 178.16 179.08 1piy h TYR 157 N 0.57 -0.05 -0.99 4.88 0.99 -1.42 -2.56 116.97 118.39 1piy h TYR 157 Ca 0.24 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.02 1piy h TYR 157 Cb 0.12 0.02 -0.06 0.00 1.00 0.00 0.00 36.73 37.80 1piy h TYR 157 CO -0.09 0.30 0.64 -0.44 -0.00 0.00 0.00 178.16 178.57 1piy h ASP 158 N -0.39 1.04 -0.28 3.88 3.32 0.02 0.49 116.42 124.50 1piy h ASP 158 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1piy h ASP 158 Cb 0.36 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1piy h ASP 158 CO 0.01 0.69 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.42 1piy h GLU 159 N 1.19 0.81 -0.46 3.56 5.08 -1.10 -1.13 114.58 122.54 1piy h GLU 159 Ca 0.41 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1piy h GLU 159 Cb 0.10 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1piy h GLU 159 CO -0.15 1.13 0.24 1.25 -1.00 0.00 0.00 179.01 180.48 1piy h LEU 160 N 0.58 0.58 -0.33 1.33 5.85 -1.01 0.00 115.31 122.31 1piy h LEU 160 Ca 0.02 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1piy h LEU 160 Cb 1.07 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1piy h LEU 160 CO 0.11 0.52 0.18 0.40 -0.34 0.00 0.00 178.44 179.31 1piy h ILE 161 N 0.60 1.14 -0.41 4.05 2.04 -0.84 0.23 117.51 124.33 1piy h ILE 161 Ca 0.16 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1piy h ILE 161 Cb 0.07 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1piy h ILE 161 CO -0.02 0.14 0.21 -0.08 0.00 0.00 0.00 178.15 178.39 1piy h GLU 162 N 0.42 0.58 -0.13 2.37 4.81 -0.94 -1.65 114.58 120.05 1piy h GLU 162 Ca 0.12 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1piy h GLU 162 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1piy h GLU 162 CO -0.02 0.49 -0.26 1.98 -0.73 0.00 0.00 179.01 180.47 1piy h MET 163 N 0.52 0.23 -0.61 1.92 4.05 -0.79 -2.33 114.93 117.91 1piy h MET 163 Ca 0.14 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1piy h MET 163 Cb 0.09 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1piy h MET 163 CO -0.02 0.48 0.01 1.15 0.23 0.00 0.00 176.91 178.76 1piy h THR 164 N 0.20 1.27 -0.36 -0.77 2.02 -0.52 -1.29 112.91 113.46 1piy h THR 164 Ca 0.03 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1piy h THR 164 Cb 0.58 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1piy h THR 164 CO 0.04 0.42 0.14 0.28 0.37 0.00 0.00 175.52 176.77 1piy h SER 165 N 0.98 0.50 -0.74 4.18 0.02 -0.92 0.10 113.55 117.66 1piy h SER 165 Ca 0.17 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1piy h SER 165 Cb 0.55 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1piy h SER 165 CO 0.03 0.53 0.47 1.88 -1.14 0.00 0.00 176.83 178.60 1piy h TYR 166 N 0.43 0.89 -0.11 3.45 0.05 -1.23 0.58 116.97 121.04 1piy h TYR 166 Ca 0.12 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 1piy h TYR 166 Cb 0.19 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1piy h TYR 166 CO -0.00 0.53 0.05 2.35 -1.05 0.00 0.00 178.16 180.04 1piy h TRP 167 N 0.94 0.16 -0.48 4.88 7.01 -0.86 0.24 115.95 127.83 1piy h TRP 167 Ca 0.29 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.22 1piy h TRP 167 Cb -0.03 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1piy h TRP 167 CO -0.03 0.23 0.05 0.45 -2.79 0.00 0.00 178.44 176.35 1piy h HIS 168 N 0.04 0.81 0.08 2.65 3.86 -0.69 0.72 115.15 122.62 1piy h HIS 168 Ca 0.04 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 58.99 1piy h HIS 168 Cb 0.13 -0.23 0.02 0.00 1.06 0.00 0.00 27.41 28.39 1piy h HIS 168 CO -0.03 0.73 -0.69 -0.07 0.86 0.00 0.00 177.93 178.73 1piy h LEU 169 N 0.73 0.46 0.00 2.43 3.38 -0.68 1.22 115.31 122.85 1piy h LEU 169 Ca 0.15 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1piy h LEU 169 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1piy h LEU 169 CO 0.01 1.30 -1.10 0.18 0.09 0.00 0.00 178.44 178.92 1piy n LEU 170 N -4.19 0.18 0.00 1.67 4.77 0.82 -4.79 117.00 115.46 1piy n LEU 170 Ca -0.12 -0.19 0.04 0.00 -0.03 0.00 0.00 56.01 55.70 1piy n LEU 170 Cb 0.74 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1piy n LEU 170 CO 0.47 0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 177.13 1piy n GLY 171 N 1.65 -2.18 3.77 -0.72 0.00 0.24 -4.85 105.19 103.11 1piy n GLY 171 Ca -0.00 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1piy n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1piy s GLU 172 N -1.18 4.08 0.00 1.61 2.02 -1.26 -4.71 118.70 119.26 1piy s GLU 172 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.67 1piy s GLU 172 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1piy s GLU 172 CO 0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1piy n GLY 173 N 0.50 0.63 3.30 -1.39 0.00 -0.17 -4.96 105.19 103.10 1piy n GLY 173 Ca 0.05 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1piy n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1piy s THR 174 N -1.65 4.02 0.46 2.61 2.01 -1.26 -0.34 115.64 121.49 1piy s THR 174 Ca 0.00 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1piy s THR 174 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 1piy s THR 174 CO 0.00 -0.23 0.25 -1.00 -0.69 0.00 0.00 174.62 172.95 1piy s HIS 175 N 1.44 2.24 -0.02 4.92 3.76 0.18 -4.94 115.29 122.87 1piy s HIS 175 Ca -0.00 -0.69 0.04 0.00 -0.15 0.00 0.00 55.06 54.25 1piy s HIS 175 Cb -0.20 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1piy s HIS 175 CO 0.04 -0.05 -0.13 0.95 -0.85 0.00 0.00 174.74 174.70 1piy s THR 176 N -2.67 1.04 -0.13 1.30 -4.23 -1.26 0.33 115.64 110.02 1piy s THR 176 Ca 0.36 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1piy s THR 176 Cb 0.01 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 73.01 1piy s THR 176 CO 0.21 0.30 0.04 -0.69 -0.54 0.00 0.00 174.62 173.94 1piy s VAL 177 N -0.10 0.25 -1.36 2.29 1.01 0.72 -4.89 120.40 118.32 1piy s VAL 177 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1piy s VAL 177 Cb -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1piy s VAL 177 CO 0.00 -0.04 0.46 0.59 0.00 0.00 0.00 175.10 176.12 1piy n ASN 178 N 5.17 -1.34 0.00 3.32 3.02 -1.26 -1.43 115.26 122.73 1piy n ASN 178 Ca -0.07 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1piy n ASN 178 Cb 0.49 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 1piy n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1piy n GLY 179 N -1.99 1.71 3.53 7.41 0.00 -1.26 -5.02 105.19 109.57 1piy n GLY 179 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1piy n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piy s LYS 180 N -0.09 2.34 0.09 1.61 1.02 -0.52 -5.10 119.74 119.09 1piy s LYS 180 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1piy s LYS 180 Cb 0.00 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 1piy s LYS 180 CO 0.00 0.57 0.93 0.99 -0.92 0.00 0.00 175.35 176.93 1piy s THR 181 N -0.96 4.56 -0.22 2.17 2.01 -1.26 -0.20 115.64 121.74 1piy s THR 181 Ca 0.16 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.16 1piy s THR 181 Cb -0.11 -4.29 0.06 0.00 0.01 0.00 0.00 72.50 68.17 1piy s THR 181 CO 0.07 0.31 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.58 1piy s VAL 182 N 0.06 1.32 -0.16 3.82 1.01 0.15 -4.91 120.40 121.69 1piy s VAL 182 Ca 0.46 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1piy s VAL 182 Cb -0.23 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1piy s VAL 182 CO 0.29 -0.07 0.36 -0.89 0.00 0.00 0.00 175.10 174.79 1piy s THR 183 N 1.50 5.26 -0.22 3.92 2.01 -1.26 -0.64 115.64 126.21 1piy s THR 183 Ca -0.04 0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1piy s THR 183 Cb -0.18 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1piy s THR 183 CO -0.07 0.35 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.41 1piy s VAL 184 N 0.66 2.63 -0.13 3.82 1.01 0.54 -4.99 120.40 123.95 1piy s VAL 184 Ca 0.19 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1piy s VAL 184 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1piy s VAL 184 CO 0.06 0.36 -0.16 -0.55 0.00 0.00 0.00 175.10 174.81 1piy s SER 185 N 1.33 2.65 0.37 3.32 0.15 -1.26 -1.00 113.70 119.25 1piy s SER 185 Ca 0.03 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.24 1piy s SER 185 Cb -0.15 -1.19 0.71 0.00 -1.71 0.00 0.00 66.02 63.68 1piy s SER 185 CO -0.07 0.01 1.97 0.25 1.20 0.00 0.00 173.24 176.59 1piy h LEU 186 N 7.59 0.52 -0.51 3.45 5.85 -1.98 -1.06 115.31 129.16 1piy h LEU 186 Ca -0.34 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1piy h LEU 186 Cb 1.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1piy h LEU 186 CO 0.52 0.47 0.24 -0.09 -0.34 0.00 0.00 178.44 179.24 1piy h ARG 187 N 0.58 0.73 -0.16 1.25 2.43 -1.99 0.29 114.38 117.50 1piy h ARG 187 Ca 0.14 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1piy h ARG 187 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1piy h ARG 187 CO -0.02 0.61 -0.29 0.93 -1.51 0.00 0.00 179.97 179.69 1piy h GLU 188 N 0.67 0.30 -0.39 0.20 4.39 -1.81 -1.85 114.58 116.10 1piy h GLU 188 Ca 0.17 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1piy h GLU 188 Cb 0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1piy h GLU 188 CO -0.02 0.57 -0.36 1.25 -1.16 0.00 0.00 179.01 179.29 1piy h LEU 189 N 0.27 0.97 -0.79 1.33 6.46 -0.70 -1.35 115.31 121.50 1piy h LEU 189 Ca 0.04 -0.43 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1piy h LEU 189 Cb 0.66 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1piy h LEU 189 CO 0.05 1.22 0.31 0.11 -0.62 0.00 0.00 178.44 179.51 1piy h LYS 190 N 0.75 1.19 -0.67 1.25 1.57 -0.62 -0.41 116.57 119.63 1piy h LYS 190 Ca 0.07 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1piy h LYS 190 Cb 0.95 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1piy h LYS 190 CO 0.09 0.96 0.25 -0.22 -0.57 0.00 0.00 179.45 179.96 1piy h LYS 191 N 1.15 1.02 -0.50 3.15 3.64 -1.16 -0.30 116.57 123.57 1piy h LYS 191 Ca 0.26 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1piy h LYS 191 Cb 0.22 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1piy h LYS 191 CO -0.02 0.86 0.32 -0.22 -2.27 0.00 0.00 179.45 178.12 1piy h LYS 192 N 0.96 0.62 -0.34 1.90 1.63 -0.62 0.30 116.57 121.02 1piy h LYS 192 Ca 0.22 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1piy h LYS 192 Cb 0.24 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1piy h LYS 192 CO -0.01 0.41 0.14 1.25 -3.45 0.00 0.00 179.45 177.78 1piy h LEU 193 N 0.64 0.47 -0.34 5.20 5.85 -0.72 -0.38 115.31 126.03 1piy h LEU 193 Ca 0.19 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1piy h LEU 193 Cb -0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1piy h LEU 193 CO -0.07 0.50 0.18 0.22 -0.34 0.00 0.00 178.44 178.94 1piy h TYR 194 N 0.40 0.34 -0.60 1.25 3.20 -0.58 0.11 116.97 121.08 1piy h TYR 194 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1piy h TYR 194 Cb 0.18 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1piy h TYR 194 CO -0.00 0.19 0.38 -0.07 -1.64 0.00 0.00 178.16 177.02 1piy h LEU 195 N 0.38 0.71 -0.31 2.82 3.38 -0.83 -0.90 115.31 120.56 1piy h LEU 195 Ca 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1piy h LEU 195 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1piy h LEU 195 CO -0.08 0.54 0.16 0.00 0.09 0.00 0.00 178.44 179.16 1piy h LEU 197 N 0.38 0.96 -0.70 0.00 3.38 -0.54 -0.11 115.31 118.68 1piy h LEU 197 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1piy h LEU 197 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1piy h LEU 197 CO -0.02 0.83 0.18 0.24 0.09 0.00 0.00 178.44 179.76 1piy h MET 198 N 1.04 1.12 -0.65 1.13 2.86 -0.86 0.82 114.93 120.39 1piy h MET 198 Ca 0.25 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1piy h MET 198 Cb 0.14 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1piy h MET 198 CO -0.03 0.99 0.25 1.03 1.06 0.00 0.00 176.91 180.21 1piy h SER 199 N 1.06 0.90 -0.05 1.22 0.87 -0.47 -0.54 113.55 116.54 1piy h SER 199 Ca 0.22 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1piy h SER 199 Cb 0.37 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1piy h SER 199 CO 0.00 0.83 -0.23 0.58 -0.53 0.00 0.00 176.83 177.48 1piy h VAL 200 N 0.92 1.26 -0.64 2.23 2.07 -0.63 -0.45 116.25 121.00 1piy h VAL 200 Ca 0.22 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1piy h VAL 200 Cb 0.22 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1piy h VAL 200 CO -0.02 0.39 0.14 -1.13 0.02 0.00 0.00 177.57 176.97 1piy h ASN 201 N 0.42 0.99 -0.22 0.57 -1.24 -0.13 0.78 115.58 116.74 1piy h ASN 201 Ca 0.06 -0.24 -0.11 0.00 0.71 0.00 0.00 56.30 56.72 1piy h ASN 201 Cb 0.64 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1piy h ASN 201 CO 0.05 0.98 -0.25 0.00 -1.29 0.00 0.00 177.43 176.91 1piy h ALA 202 N 1.05 0.91 -0.03 1.57 0.00 -0.73 0.22 119.26 122.24 1piy h ALA 202 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1piy h ALA 202 Cb 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1piy h ALA 202 CO 0.01 0.62 0.01 1.25 0.00 0.00 0.00 179.25 181.14 1piy h LEU 203 N 0.61 0.05 -0.23 0.00 6.46 -0.65 0.28 115.31 121.83 1piy h LEU 203 Ca 0.08 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 1piy h LEU 203 Cb 0.75 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1piy h LEU 203 CO 0.06 0.24 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.74 1piy h GLU 204 N -0.14 0.44 0.00 1.25 4.39 -0.77 -1.63 114.58 118.12 1piy h GLU 204 Ca 0.01 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1piy h GLU 204 Cb 0.21 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1piy h GLU 204 CO -0.00 0.67 -0.96 0.00 -1.16 0.00 0.00 179.01 177.56 1piy h ALA 205 N 0.76 0.64 0.00 3.43 0.00 -0.59 -3.39 119.26 120.12 1piy h ALA 205 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1piy h ALA 205 Cb 0.50 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1piy h ALA 205 CO 0.02 0.45 -0.42 -0.89 0.00 0.00 0.00 179.25 178.41 1piy n ILE 206 N -2.90 0.91 -0.12 0.00 5.41 0.93 -4.50 119.36 119.09 1piy n ILE 206 Ca -0.03 0.25 -0.05 0.00 1.00 0.00 0.00 62.75 63.92 1piy n ILE 206 Cb 0.69 -1.62 0.03 0.00 -0.71 0.00 0.00 39.64 38.03 1piy n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1piy h ARG 207 N -0.09 0.23 -0.32 0.38 3.08 -1.22 -1.32 114.38 115.11 1piy h ARG 207 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1piy h ARG 207 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1piy h ARG 207 CO -0.01 0.15 0.10 0.74 -1.07 0.00 0.00 179.97 179.88 1piy h PHE 208 N 0.23 0.51 -0.32 3.04 0.04 -1.49 -2.94 116.94 116.01 1piy h PHE 208 Ca 0.19 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 1piy h PHE 208 Cb 0.21 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1piy h PHE 208 CO -0.18 0.51 0.09 1.88 -0.60 0.00 0.00 178.31 180.01 1piy h TYR 209 N 0.36 0.45 -0.61 -0.55 -1.99 -1.67 -0.89 116.97 112.06 1piy h TYR 209 Ca 0.10 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.75 1piy h TYR 209 Cb 0.24 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1piy h TYR 209 CO 0.00 0.39 0.12 0.28 -0.00 0.00 0.00 178.16 178.95 1piy h VAL 210 N 0.45 1.26 -0.26 -2.88 2.07 -1.17 -2.30 116.25 113.42 1piy h VAL 210 Ca 0.11 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1piy h VAL 210 Cb 0.15 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1piy h VAL 210 CO -0.01 0.36 -0.06 0.77 0.02 0.00 0.00 177.57 178.65 1piy h SER 211 N 0.91 0.39 -0.47 0.57 4.64 -1.10 -2.39 113.55 116.10 1piy h SER 211 Ca 0.19 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1piy h SER 211 Cb 0.40 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1piy h SER 211 CO 0.01 0.50 0.12 -0.26 -0.87 0.00 0.00 176.83 176.33 1piy h PHE 212 N 0.39 0.84 -0.34 4.77 0.04 -0.65 -0.19 116.94 121.79 1piy h PHE 212 Ca 0.08 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1piy h PHE 212 Cb 0.36 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1piy h PHE 212 CO 0.01 0.71 0.07 0.00 -0.60 0.00 0.00 178.31 178.50 1piy h ALA 213 N 1.35 0.45 -0.54 2.45 0.00 -1.06 0.16 119.26 122.06 1piy h ALA 213 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1piy h ALA 213 Cb 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1piy h ALA 213 CO -0.00 0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.68 1piy h SER 215 N 0.58 0.51 0.96 0.00 0.02 -0.59 -3.25 113.55 111.78 1piy h SER 215 Ca 0.23 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1piy h SER 215 Cb 0.10 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1piy h SER 215 CO -0.14 0.91 0.00 0.49 -1.14 0.00 0.00 176.83 176.96 1piy n PHE 216 N -4.43 0.48 -0.01 3.45 3.72 0.51 -2.64 117.46 118.53 1piy n PHE 216 Ca -0.06 0.16 -0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1piy n PHE 216 Cb 0.42 -0.76 0.30 0.00 -0.94 0.00 0.00 39.48 38.50 1piy n PHE 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1piy h ALA 217 N 2.57 1.37 -0.19 4.37 0.00 -1.40 -0.63 119.26 125.36 1piy h ALA 217 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1piy h ALA 217 Cb 0.48 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1piy h ALA 217 CO 0.00 0.44 -0.71 0.74 0.00 0.00 0.00 179.25 179.72 1piy h PHE 218 N 0.52 1.08 -0.80 0.00 0.04 -1.66 -3.16 116.94 112.96 1piy h PHE 218 Ca 0.11 -0.45 0.02 0.00 2.80 0.00 0.00 57.97 60.45 1piy h PHE 218 Cb 0.31 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 1piy h PHE 218 CO 0.01 1.29 0.53 0.00 -0.60 0.00 0.00 178.31 179.54 1piy h ALA 219 N 0.58 1.48 -0.06 2.45 0.00 -1.39 -0.14 119.26 122.18 1piy h ALA 219 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1piy h ALA 219 Cb 1.34 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1piy h ALA 219 CO 0.15 0.46 0.06 0.93 0.00 0.00 0.00 179.25 180.86 1piy h GLU 220 N 1.03 0.00 -0.71 0.00 4.39 -1.10 0.15 114.58 118.34 1piy h GLU 220 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1piy h GLU 220 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1piy h GLU 220 CO -0.08 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.31 1piy n ARG 221 N -3.87 3.05 -2.83 2.33 1.74 -0.15 -4.93 116.66 112.00 1piy n ARG 221 Ca -0.02 -2.71 -0.20 0.00 -0.77 0.00 0.00 57.85 54.15 1piy n ARG 221 Cb 0.16 -1.68 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 1piy n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1piy n GLU 222 N 1.48 -3.87 -4.38 5.56 1.02 0.53 -5.00 120.64 115.97 1piy n GLU 222 Ca 0.25 0.86 -0.28 0.00 -0.02 0.00 0.00 57.16 57.97 1piy n GLU 222 Cb 0.71 -5.54 -0.12 0.00 -0.02 0.00 0.00 31.44 26.48 1piy n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1piy s LEU 223 N -6.02 2.47 -1.39 -4.62 1.43 -0.71 -4.69 118.68 105.14 1piy s LEU 223 Ca 0.22 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1piy s LEU 223 Cb -0.10 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1piy s LEU 223 CO 0.27 0.15 0.47 0.23 0.23 0.00 0.00 176.35 177.70 1piy n MET 224 N 0.58 -3.51 0.23 1.70 2.81 -1.26 -3.46 117.12 114.21 1piy n MET 224 Ca -0.15 0.44 0.11 0.00 -1.81 0.00 0.00 57.70 56.29 1piy n MET 224 Cb 0.54 -4.62 0.46 0.00 -0.71 0.00 0.00 33.22 28.89 1piy n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1piy h GLU 225 N -1.84 0.00 -0.18 0.03 5.08 -1.92 -1.74 114.58 114.00 1piy h GLU 225 Ca -0.63 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.59 1piy h GLU 225 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1piy h GLU 225 CO 0.61 0.20 -0.42 0.78 -1.00 0.00 0.00 179.01 179.18 1piy h GLY 226 N 2.19 0.67 1.00 -3.84 0.00 -1.89 -2.27 103.07 98.92 1piy h GLY 226 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1piy h GLY 226 CO 0.03 0.73 0.37 -0.57 0.00 0.00 0.00 176.54 177.09 1piy h ASN 227 N 0.28 0.70 -0.44 0.19 -1.24 -1.84 -2.65 115.58 110.58 1piy h ASN 227 Ca -0.00 -0.05 0.07 0.00 0.71 0.00 0.00 56.30 57.03 1piy h ASN 227 Cb 1.03 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.85 1piy h ASN 227 CO 0.09 0.54 0.11 0.00 -1.29 0.00 0.00 177.43 176.88 1piy h ALA 228 N 1.19 0.50 -0.90 1.57 0.00 -1.20 0.12 119.26 120.54 1piy h ALA 228 Ca 0.21 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1piy h ALA 228 Cb -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1piy h ALA 228 CO -0.04 -0.29 0.55 0.87 0.00 0.00 0.00 179.25 180.34 1piy h LYS 229 N 0.26 1.22 -0.18 0.00 1.57 -1.16 -0.24 116.57 118.04 1piy h LYS 229 Ca 0.21 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1piy h LYS 229 Cb 0.25 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1piy h LYS 229 CO -0.26 0.85 -0.14 0.82 -0.57 0.00 0.00 179.45 180.16 1piy h ILE 230 N 1.24 1.33 -0.01 1.86 2.04 -1.02 -2.57 117.51 120.38 1piy h ILE 230 Ca 0.32 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1piy h ILE 230 Cb -0.06 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1piy h ILE 230 CO -0.06 0.38 -0.18 0.40 0.00 0.00 0.00 178.15 178.69 1piy h ILE 231 N 0.09 1.13 -0.54 -0.67 1.08 -0.57 -0.38 117.51 117.65 1piy h ILE 231 Ca 0.03 -0.63 -0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1piy h ILE 231 Cb 0.66 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1piy h ILE 231 CO 0.04 0.18 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.56 1piy h ARG 232 N 0.02 0.98 -0.22 2.37 2.43 -0.90 0.19 114.38 119.25 1piy h ARG 232 Ca 0.00 -0.32 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 1piy h ARG 232 Cb 0.32 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1piy h ARG 232 CO 0.02 1.00 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.98 1piy h LEU 233 N 0.86 0.57 -0.36 3.80 3.38 -0.93 -2.34 115.31 120.28 1piy h LEU 233 Ca 0.15 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1piy h LEU 233 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1piy h LEU 233 CO 0.03 0.92 -0.15 0.40 0.09 0.00 0.00 178.44 179.74 1piy h ILE 234 N 0.43 1.28 0.00 1.22 2.04 -0.81 -2.72 117.51 118.96 1piy h ILE 234 Ca 0.03 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1piy h ILE 234 Cb 0.93 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1piy h ILE 234 CO 0.08 0.41 -0.17 0.00 0.00 0.00 0.00 178.15 178.47 1piy h ALA 235 N 0.80 1.70 -0.41 1.87 0.00 -0.50 0.16 119.26 122.87 1piy h ALA 235 Ca 0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1piy h ALA 235 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1piy h ALA 235 CO 0.05 0.21 -0.23 -0.09 0.00 0.00 0.00 179.25 179.19 1piy h ARG 236 N 0.00 0.84 -0.22 0.00 2.43 -1.20 -2.01 114.38 114.22 1piy h ARG 236 Ca -0.00 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1piy h ARG 236 Cb 0.31 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1piy h ARG 236 CO 0.02 0.98 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.75 1piy h ASP 237 N 0.72 0.62 -0.15 -3.80 3.32 -1.00 -3.16 116.42 112.97 1piy h ASP 237 Ca 0.10 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1piy h ASP 237 Cb 0.76 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1piy h ASP 237 CO 0.06 1.00 0.09 -0.33 -1.72 0.00 0.00 179.24 178.34 1piy h GLU 238 N 0.25 0.22 -0.92 3.56 4.39 -0.87 -0.32 114.58 120.90 1piy h GLU 238 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1piy h GLU 238 Cb 0.85 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 1piy h GLU 238 CO 0.07 0.16 0.52 0.00 -1.16 0.00 0.00 179.01 178.59 1piy h ALA 239 N 1.88 1.17 -0.38 3.43 0.00 -1.33 -0.13 119.26 123.90 1piy h ALA 239 Ca 0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1piy h ALA 239 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1piy h ALA 239 CO -0.01 0.66 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1piy h LEU 240 N 1.27 0.71 -0.67 0.00 3.38 -1.12 -2.01 115.31 116.89 1piy h LEU 240 Ca 0.32 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1piy h LEU 240 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1piy h LEU 240 CO -0.05 0.89 0.43 0.45 0.09 0.00 0.00 178.44 180.24 1piy h HIS 241 N 0.53 0.85 -0.03 1.13 3.86 -0.69 -0.89 115.15 119.90 1piy h HIS 241 Ca 0.10 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1piy h HIS 241 Cb 0.56 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1piy h HIS 241 CO 0.05 0.55 -0.54 1.37 0.86 0.00 0.00 177.93 180.22 1piy h LEU 242 N 0.90 0.10 -0.72 2.43 8.10 -1.01 -1.92 115.31 123.19 1piy h LEU 242 Ca 0.24 -0.05 -0.04 0.00 0.11 0.00 0.00 57.88 58.13 1piy h LEU 242 Cb -0.08 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.08 1piy h LEU 242 CO -0.05 0.62 0.28 0.74 -4.11 0.00 0.00 178.44 175.92 1piy h THR 243 N 0.07 1.25 -0.41 0.15 2.02 -0.70 -1.13 112.91 114.17 1piy h THR 243 Ca -0.00 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1piy h THR 243 Cb 0.98 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1piy h THR 243 CO 0.08 0.32 0.17 1.23 0.37 0.00 0.00 175.52 177.69 1piy h GLY 244 N 1.04 0.65 1.81 2.16 0.00 -0.69 -1.94 103.07 106.11 1piy h GLY 244 Ca 0.24 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 1piy h GLY 244 CO -0.02 0.33 -0.56 -0.91 0.00 0.00 0.00 176.54 175.39 1piy h THR 245 N 0.52 1.37 -0.69 4.70 1.35 -1.20 -1.99 112.91 116.97 1piy h THR 245 Ca 0.14 -1.88 -0.07 0.00 -0.55 0.00 0.00 66.41 64.06 1piy h THR 245 Cb 0.18 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1piy h THR 245 CO -0.01 0.55 0.17 1.56 -0.25 0.00 0.00 175.52 177.54 1piy h GLN 246 N 0.15 1.10 -0.42 4.72 4.20 -1.03 -0.70 115.11 123.13 1piy h GLN 246 Ca -0.00 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.30 1piy h GLN 246 Cb 1.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1piy h GLN 246 CO 0.08 0.97 -0.30 0.45 -0.67 0.00 0.00 178.83 179.37 1piy h HIS 247 N 1.03 1.11 0.07 2.96 3.86 -1.23 -1.00 115.15 121.94 1piy h HIS 247 Ca 0.22 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1piy h HIS 247 Cb 0.36 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1piy h HIS 247 CO 0.03 1.13 -0.05 0.52 0.86 0.00 0.00 177.93 180.41 1piy h MET 248 N 0.78 -0.12 -0.63 2.45 2.86 -1.08 -0.42 114.93 118.77 1piy h MET 248 Ca 0.08 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1piy h MET 248 Cb 0.89 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1piy h MET 248 CO 0.08 -0.08 0.28 -0.07 1.06 0.00 0.00 176.91 178.18 1piy h LEU 249 N -0.12 0.85 -0.77 1.22 3.38 -1.11 -1.30 115.31 117.47 1piy h LEU 249 Ca -0.00 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1piy h LEU 249 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1piy h LEU 249 CO -0.00 0.77 -0.27 0.78 0.09 0.00 0.00 178.44 179.81 1piy h ASN 250 N 0.88 0.65 0.24 -0.43 2.35 -1.03 -1.21 115.58 117.02 1piy h ASN 250 Ca 0.21 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1piy h ASN 250 Cb 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1piy h ASN 250 CO -0.02 0.89 -0.48 -0.07 -1.65 0.00 0.00 177.43 176.10 1piy h LEU 251 N 0.55 0.30 -0.25 1.61 3.38 -0.89 -2.04 115.31 117.97 1piy h LEU 251 Ca 0.07 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 1piy h LEU 251 Cb 0.75 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1piy h LEU 251 CO 0.06 0.74 -0.88 -0.07 0.09 0.00 0.00 178.44 178.38 1piy h LEU 252 N 0.23 0.45 0.00 1.67 3.38 -0.95 -3.26 115.31 116.82 1piy h LEU 252 Ca 0.01 -0.35 -0.17 0.00 0.09 0.00 0.00 57.88 57.47 1piy h LEU 252 Cb 0.93 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1piy h LEU 252 CO 0.08 1.13 -1.09 0.08 0.09 0.00 0.00 178.44 178.72 1piy h ARG 253 N 0.21 0.00 -0.03 1.13 0.11 -1.18 -2.54 114.38 112.08 1piy h ARG 253 Ca -0.06 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 1piy h ARG 253 Cb 1.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.57 1piy h ARG 253 CO 0.15 0.48 -0.32 0.66 0.10 0.00 0.00 179.97 181.04 1piy h SER 254 N 0.00 0.05 0.00 0.08 4.64 -1.48 -3.41 113.55 113.44 1piy h SER 254 Ca -0.10 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1piy h SER 254 Cb 1.60 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1piy h SER 254 CO 0.07 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1piy n GLY 255 N -0.56 0.78 0.16 -0.77 0.00 -1.25 -4.96 105.19 98.60 1piy n GLY 255 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1piy n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piy h ALA 256 N 0.00 0.94 0.00 4.61 0.00 -1.88 -3.36 119.26 119.57 1piy h ALA 256 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1piy h ALA 256 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1piy h ALA 256 CO 0.00 0.00 -2.18 -3.47 0.00 0.00 0.00 179.25 173.60 1piy n ASP 257 N -2.73 2.39 -3.18 0.00 2.03 -1.23 -4.98 116.55 108.86 1piy n ASP 257 Ca 0.04 -0.11 0.02 0.00 0.52 0.00 0.00 54.79 55.26 1piy n ASP 257 Cb 0.49 -0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 1piy n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1piy s ASP 258 N -6.00 -1.19 0.28 1.67 2.15 -1.26 -4.71 116.67 107.61 1piy s ASP 258 Ca -0.28 0.77 0.02 0.00 0.43 0.00 0.00 52.55 53.50 1piy s ASP 258 Cb 0.07 2.03 0.65 0.00 -0.30 0.00 0.00 42.92 45.38 1piy s ASP 258 CO 0.48 -0.27 1.74 -0.65 -0.17 0.00 0.00 175.17 176.30 1piy h PRO 259 N 8.02 0.56 -0.76 4.34 0.11 -1.92 -1.23 132.00 141.13 1piy h PRO 259 Ca -0.22 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.87 1piy h PRO 259 Cb 1.16 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1piy h PRO 259 CO 0.26 0.37 0.50 1.49 -0.21 0.00 0.00 178.00 180.41 1piy h GLU 260 N 0.58 0.99 -0.67 1.05 4.81 -1.94 -1.07 114.58 118.33 1piy h GLU 260 Ca 0.53 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.64 1piy h GLU 260 Cb 0.86 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1piy h GLU 260 CO -0.42 0.65 0.20 0.52 -0.73 0.00 0.00 179.01 179.23 1piy h MET 261 N 1.02 1.03 -0.50 1.92 2.86 -1.50 -0.04 114.93 119.71 1piy h MET 261 Ca 0.28 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1piy h MET 261 Cb -0.10 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1piy h MET 261 CO -0.07 0.88 0.19 0.00 1.06 0.00 0.00 176.91 178.97 1piy h ALA 262 N 1.23 0.65 -0.45 6.32 0.00 -0.96 -0.51 119.26 125.54 1piy h ALA 262 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1piy h ALA 262 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1piy h ALA 262 CO -0.01 0.27 0.27 1.49 0.00 0.00 0.00 179.25 181.27 1piy h GLU 263 N 0.67 0.61 -0.43 0.00 4.81 -0.77 -2.58 114.58 116.90 1piy h GLU 263 Ca 0.17 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1piy h GLU 263 Cb 0.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1piy h GLU 263 CO -0.01 0.46 0.13 0.82 -0.73 0.00 0.00 179.01 179.68 1piy h ILE 264 N 0.60 1.22 -0.22 2.32 2.04 -0.73 -2.18 117.51 120.56 1piy h ILE 264 Ca 0.16 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1piy h ILE 264 Cb 0.01 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1piy h ILE 264 CO -0.03 0.26 -0.10 0.00 0.00 0.00 0.00 178.15 178.28 1piy h ALA 265 N 0.98 0.09 -0.91 1.87 0.00 -0.93 -0.32 119.26 120.04 1piy h ALA 265 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1piy h ALA 265 Cb 0.27 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1piy h ALA 265 CO -0.00 -0.52 0.60 1.49 0.00 0.00 0.00 179.25 180.82 1piy h GLU 266 N -0.07 1.19 0.25 0.00 4.57 -1.40 -1.51 114.58 117.61 1piy h GLU 266 Ca 0.12 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1piy h GLU 266 Cb 0.25 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1piy h GLU 266 CO -0.27 0.79 -0.31 1.49 -1.18 0.00 0.00 179.01 179.54 1piy h GLU 267 N 1.23 -0.59 -0.91 1.92 4.81 -0.55 -2.80 114.58 117.70 1piy h GLU 267 Ca 0.33 0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.33 1piy h GLU 267 Cb -0.14 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.21 1piy h GLU 267 CO -0.07 -0.39 0.35 0.00 -0.73 0.00 0.00 179.01 178.17 1piy h LYS 269 N 1.40 0.81 -0.38 0.00 3.64 -0.99 -1.07 116.57 119.98 1piy h LYS 269 Ca 0.34 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1piy h LYS 269 Cb 2.17 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.79 1piy h LYS 269 CO 0.69 0.53 -0.16 0.37 -2.27 0.00 0.00 179.45 178.62 1piy h GLN 270 N 0.83 0.70 -0.53 1.90 5.75 -1.83 -1.69 115.11 120.24 1piy h GLN 270 Ca 0.32 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1piy h GLN 270 Cb 0.14 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1piy h GLN 270 CO -0.16 0.82 0.18 1.49 -2.65 0.00 0.00 178.83 178.51 1piy h GLU 271 N 0.62 0.81 -0.65 1.69 4.81 -1.74 -1.79 114.58 118.34 1piy h GLU 271 Ca 0.10 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1piy h GLU 271 Cb 0.62 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1piy h GLU 271 CO 0.04 0.74 0.38 0.00 -0.73 0.00 0.00 179.01 179.44 1piy h TYR 273 N 0.88 0.33 0.00 0.00 5.03 -1.04 -1.57 116.97 120.60 1piy h TYR 273 Ca 0.23 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.47 1piy h TYR 273 Cb -0.01 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1piy h TYR 273 CO -0.02 0.26 -0.34 -0.44 -1.32 0.00 0.00 178.16 176.31 1piy h ASP 274 N 0.31 0.00 -0.40 -2.11 3.32 -1.09 -1.73 116.42 114.71 1piy h ASP 274 Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1piy h ASP 274 Cb 0.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1piy h ASP 274 CO -0.02 0.34 0.14 0.25 -1.72 0.00 0.00 179.24 178.24 1piy h LEU 275 N 0.00 0.58 -0.26 1.55 6.46 -0.48 0.47 115.31 123.62 1piy h LEU 275 Ca -0.00 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1piy h LEU 275 Cb 0.74 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1piy h LEU 275 CO 0.04 0.61 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.19 1piy h PHE 276 N 0.51 0.52 -0.68 1.25 0.04 -0.87 -2.01 116.94 115.69 1piy h PHE 276 Ca 0.13 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1piy h PHE 276 Cb 0.23 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1piy h PHE 276 CO 0.01 0.65 0.39 0.28 -0.60 0.00 0.00 178.31 179.04 1piy h VAL 277 N 0.23 1.20 -0.22 -0.55 2.07 -1.22 -1.03 116.25 116.74 1piy h VAL 277 Ca 0.07 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1piy h VAL 277 Cb 0.46 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1piy h VAL 277 CO 0.02 0.22 -0.04 -0.61 0.02 0.00 0.00 177.57 177.17 1piy h GLN 278 N 0.93 0.01 -0.75 1.57 -0.00 -0.78 0.23 115.11 116.32 1piy h GLN 278 Ca 0.24 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.92 1piy h GLN 278 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.43 1piy h GLN 278 CO -0.04 0.01 0.47 0.00 0.00 0.00 0.00 178.83 179.27 1piy h ALA 279 N 1.21 0.99 -0.59 3.38 0.00 -0.91 -0.10 119.26 123.24 1piy h ALA 279 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1piy h ALA 279 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1piy h ALA 279 CO -0.22 0.26 0.22 0.00 0.00 0.00 0.00 179.25 179.52 1piy h ALA 280 N 1.32 0.77 -0.66 0.00 0.00 -0.38 -2.18 119.26 118.13 1piy h ALA 280 Ca 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1piy h ALA 280 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1piy h ALA 280 CO -0.11 0.40 0.29 0.37 0.00 0.00 0.00 179.25 180.20 1piy h GLN 281 N 0.83 0.94 -0.63 0.00 5.75 0.18 -1.32 115.11 120.86 1piy h GLN 281 Ca 0.20 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1piy h GLN 281 Cb 0.23 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1piy h GLN 281 CO -0.01 0.75 0.13 1.96 -2.65 0.00 0.00 178.83 179.01 1piy h GLN 282 N 0.93 1.02 -0.13 1.69 4.20 -0.64 0.10 115.11 122.28 1piy h GLN 282 Ca 0.23 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1piy h GLN 282 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1piy h GLN 282 CO -0.03 0.94 -0.35 0.93 -0.67 0.00 0.00 178.83 179.65 1piy h GLU 283 N 0.94 0.25 0.13 1.46 4.39 -0.97 -1.64 114.58 119.13 1piy h GLU 283 Ca 0.19 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1piy h GLU 283 Cb 0.39 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1piy h GLU 283 CO 0.01 0.57 -0.06 0.87 -1.16 0.00 0.00 179.01 179.24 1piy h LYS 284 N 0.22 -0.17 0.00 2.33 1.57 -0.67 -1.72 116.57 118.13 1piy h LYS 284 Ca 0.03 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1piy h LYS 284 Cb 0.72 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1piy h LYS 284 CO 0.05 0.13 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.62 1piy h ASP 285 N -0.47 0.00 0.09 0.86 3.32 -0.84 -2.28 116.42 117.09 1piy h ASP 285 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1piy h ASP 285 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1piy h ASP 285 CO 0.03 0.00 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.26 1piy h TRP 286 N 0.00 -0.11 -1.29 4.55 2.91 -1.04 -2.97 115.95 118.00 1piy h TRP 286 Ca -0.00 -0.00 0.39 0.00 1.13 0.00 0.00 58.89 60.41 1piy h TRP 286 Cb 0.00 0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 28.59 1piy h TRP 286 CO 0.00 0.40 0.86 0.00 -1.03 0.00 0.00 178.44 178.67 1piy h ALA 287 N 0.08 2.77 -0.32 2.65 0.00 -0.74 0.74 119.26 124.45 1piy h ALA 287 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1piy h ALA 287 Cb 0.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1piy h ALA 287 CO 0.02 -1.29 0.00 -3.47 0.00 0.00 0.00 179.25 174.51 1piy n ASP 288 N -4.52 0.00 -0.42 0.00 -0.08 -1.08 -2.09 116.55 108.36 1piy n ASP 288 Ca 0.33 0.95 0.37 0.00 -1.51 0.00 0.00 54.79 54.93 1piy n ASP 288 Cb 1.31 -0.45 0.71 0.00 2.34 0.00 0.00 41.12 45.04 1piy n ASP 288 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1piy h TYR 289 N 0.00 0.18 -0.59 -0.67 3.20 -0.88 0.34 116.97 118.55 1piy h TYR 289 Ca 0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1piy h TYR 289 Cb 0.00 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1piy h TYR 289 CO 0.01 -0.02 0.05 1.25 -1.64 0.00 0.00 178.16 177.82 1piy h LEU 290 N 0.07 0.95 -3.44 2.82 5.85 -0.79 -3.09 115.31 117.69 1piy h LEU 290 Ca 0.68 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 59.04 1piy h LEU 290 Cb 2.49 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 43.20 1piy h LEU 290 CO -0.11 0.98 0.07 0.49 -0.34 0.00 0.00 178.44 179.53 1piy n PHE 291 N -4.21 1.46 0.64 1.25 3.72 0.11 -4.45 117.46 115.98 1piy n PHE 291 Ca 0.04 -1.20 0.06 0.00 -0.05 0.00 0.00 57.45 56.29 1piy n PHE 291 Cb 0.30 -0.49 0.32 0.00 -0.94 0.00 0.00 39.48 38.67 1piy n PHE 291 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1piy n ARG 292 N -0.61 0.28 0.00 -1.08 -4.01 -0.77 -1.90 116.66 108.57 1piy n ARG 292 Ca 0.31 0.07 0.00 0.00 -1.04 0.00 0.00 57.85 57.19 1piy n ARG 292 Cb 1.09 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 29.01 1piy n ARG 292 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1piy n ASP 293 N -1.11 0.73 0.00 2.89 10.43 -1.26 -5.11 116.55 123.12 1piy n ASP 293 Ca 0.07 -1.30 0.00 0.00 2.57 0.00 0.00 54.79 56.14 1piy n ASP 293 Cb 0.06 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1piy n ASP 293 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1piy n GLY 294 N -0.15 2.79 0.00 0.44 0.00 -0.80 -4.81 105.19 102.66 1piy n GLY 294 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1piy n GLY 294 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1piy n SER 295 N 0.00 1.74 -3.31 1.61 7.64 -1.26 -4.40 113.62 115.64 1piy n SER 295 Ca 0.00 -0.89 -0.13 0.00 1.01 0.00 0.00 58.87 58.86 1piy n SER 295 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1piy n SER 295 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1piy s MET 296 N -1.65 1.91 -0.17 1.43 0.23 -0.95 -4.92 119.30 115.18 1piy s MET 296 Ca 0.00 -1.62 -0.28 0.00 -1.03 0.00 0.00 55.69 52.75 1piy s MET 296 Cb 0.00 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.72 1piy s MET 296 CO 0.00 -0.81 2.18 -0.89 -2.03 0.00 0.00 175.02 173.47 1piy n ILE 297 N -0.53 0.42 0.00 3.16 5.41 -1.26 -2.23 119.36 124.34 1piy n ILE 297 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1piy n ILE 297 Cb 0.61 -2.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 1piy n ILE 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1piy n GLY 298 N 5.55 2.47 2.89 7.39 0.00 -1.26 -4.90 105.19 117.33 1piy n GLY 298 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1piy n GLY 298 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1piy s LEU 299 N 0.00 1.78 0.35 0.99 1.43 -0.95 -4.98 118.68 117.31 1piy s LEU 299 Ca 0.00 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 1piy s LEU 299 Cb 0.00 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.35 1piy s LEU 299 CO 0.00 -0.03 0.69 0.54 0.23 0.00 0.00 176.35 177.78 1piy s ASN 300 N 0.15 0.13 0.18 2.29 2.20 -1.26 -2.24 114.94 116.38 1piy s ASN 300 Ca -0.01 -1.10 -0.17 0.00 -0.94 0.00 0.00 52.86 50.64 1piy s ASN 300 Cb -0.02 0.77 0.13 0.00 -2.00 0.00 0.00 41.25 40.13 1piy s ASN 300 CO -0.00 -1.51 1.65 0.11 -2.94 0.00 0.00 177.10 174.41 1piy h LYS 301 N 2.04 -0.03 -0.28 3.55 1.57 -1.95 -2.02 116.57 119.45 1piy h LYS 301 Ca -0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1piy h LYS 301 Cb 1.25 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1piy h LYS 301 CO 0.37 -0.02 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.63 1piy h ASP 302 N -0.03 0.63 -0.46 0.86 3.32 -1.97 -0.97 116.42 117.79 1piy h ASP 302 Ca 0.22 -0.42 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1piy h ASP 302 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1piy h ASP 302 CO -0.48 0.91 0.02 -0.29 -1.72 0.00 0.00 179.24 177.68 1piy h ILE 303 N 0.34 1.25 -0.14 0.35 6.09 -1.93 -0.17 117.51 123.29 1piy h ILE 303 Ca 0.06 -1.03 -0.17 0.00 -1.37 0.00 0.00 64.86 62.35 1piy h ILE 303 Cb 0.69 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 38.80 1piy h ILE 303 CO 0.05 0.37 -0.62 0.25 -3.07 0.00 0.00 178.15 175.13 1piy h LEU 304 N 0.81 0.57 -1.00 2.19 5.85 -1.36 -1.52 115.31 120.86 1piy h LEU 304 Ca 0.16 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1piy h LEU 304 Cb 0.46 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1piy h LEU 304 CO 0.02 1.05 0.36 0.00 -0.34 0.00 0.00 178.44 179.52 1piy h GLN 306 N 1.06 0.73 -0.82 0.00 5.75 -0.72 -2.74 115.11 118.37 1piy h GLN 306 Ca 0.26 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1piy h GLN 306 Cb 0.11 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1piy h GLN 306 CO -0.03 0.84 0.35 -0.92 -2.65 0.00 0.00 178.83 176.42 1piy h TYR 307 N 0.55 1.22 -0.54 3.99 3.20 -0.85 -0.79 116.97 123.74 1piy h TYR 307 Ca 0.11 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1piy h TYR 307 Cb 0.55 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1piy h TYR 307 CO 0.04 0.91 0.33 0.28 -1.64 0.00 0.00 178.16 178.08 1piy h VAL 308 N 1.18 1.07 -0.54 1.81 2.07 -1.13 -0.36 116.25 120.34 1piy h VAL 308 Ca 0.28 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1piy h VAL 308 Cb 0.18 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1piy h VAL 308 CO -0.03 0.12 -0.11 -0.33 0.02 0.00 0.00 177.57 177.25 1piy h GLU 309 N 0.66 1.02 0.38 1.57 5.08 -1.16 -0.58 114.58 121.55 1piy h GLU 309 Ca 0.22 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1piy h GLU 309 Cb 0.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1piy h GLU 309 CO -0.09 1.07 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.86 1piy h TYR 310 N 0.90 -0.54 -0.36 4.33 3.20 -0.72 -1.73 116.97 122.05 1piy h TYR 310 Ca 0.14 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1piy h TYR 310 Cb 0.67 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1piy h TYR 310 CO 0.05 -0.33 -0.22 0.97 -1.64 0.00 0.00 178.16 176.99 1piy h ILE 311 N -0.54 1.27 -0.55 1.81 6.09 -1.08 -2.92 117.51 121.58 1piy h ILE 311 Ca -0.05 -1.31 -0.00 0.00 -1.37 0.00 0.00 64.86 62.13 1piy h ILE 311 Cb 0.44 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 1piy h ILE 311 CO 0.06 0.43 0.33 0.74 -3.07 0.00 0.00 178.15 176.65 1piy h THR 312 N 0.62 1.17 -0.09 2.19 2.02 -0.98 0.00 112.91 117.85 1piy h THR 312 Ca 0.09 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1piy h THR 312 Cb 0.71 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1piy h THR 312 CO 0.05 0.17 -0.06 0.78 0.37 0.00 0.00 175.52 176.84 1piy h ASN 313 N 0.75 -0.19 -0.12 4.18 2.35 -1.22 0.51 115.58 121.84 1piy h ASN 313 Ca 0.20 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1piy h ASN 313 Cb -0.01 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1piy h ASN 313 CO -0.04 -0.08 -0.02 0.40 -1.65 0.00 0.00 177.43 176.04 1piy h ILE 314 N -0.06 0.89 -0.58 2.81 2.04 -1.29 -0.67 117.51 120.65 1piy h ILE 314 Ca 0.06 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 1piy h ILE 314 Cb 0.15 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1piy h ILE 314 CO -0.13 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.05 1piy h ARG 315 N 0.01 1.03 -0.42 2.37 2.47 -0.82 -2.16 114.38 116.86 1piy h ARG 315 Ca 0.06 -0.33 -0.11 0.00 -1.26 0.00 0.00 59.98 58.34 1piy h ARG 315 Cb 0.08 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1piy h ARG 315 CO -0.11 1.01 -0.19 0.52 0.56 0.00 0.00 179.97 181.76 1piy h MET 316 N 0.92 0.82 -0.70 0.04 2.86 -0.76 -2.65 114.93 115.46 1piy h MET 316 Ca 0.17 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1piy h MET 316 Cb 0.55 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1piy h MET 316 CO 0.03 0.94 0.29 0.37 1.06 0.00 0.00 176.91 179.60 1piy h GLN 317 N 0.72 1.02 0.00 1.72 4.15 -0.97 -0.44 115.11 121.31 1piy h GLN 317 Ca 0.10 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1piy h GLN 317 Cb 0.71 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1piy h GLN 317 CO 0.05 0.82 -0.01 0.00 -1.93 0.00 0.00 178.83 177.76 1piy h ALA 318 N 1.32 1.66 -0.36 3.38 0.00 -1.02 -2.18 119.26 122.06 1piy h ALA 318 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1piy h ALA 318 Cb 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1piy h ALA 318 CO -0.02 0.01 0.02 1.33 0.00 0.00 0.00 179.25 180.59 1piy n VAL 319 N -4.06 2.46 -1.49 0.00 0.24 -0.98 -4.96 118.33 109.55 1piy n VAL 319 Ca -0.03 -2.13 -0.07 0.00 -2.04 0.00 0.00 64.34 60.07 1piy n VAL 319 Cb 0.10 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1piy n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1piy n GLY 320 N -0.70 0.64 3.87 7.63 0.00 -0.82 -4.95 105.19 110.86 1piy n GLY 320 Ca 0.28 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1piy n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1piy s LEU 321 N -1.64 4.09 0.77 0.99 1.43 -0.21 -5.01 118.68 119.09 1piy s LEU 321 Ca 0.00 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 1piy s LEU 321 Cb 0.00 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1piy s LEU 321 CO 0.00 0.08 1.11 -1.81 0.23 0.00 0.00 176.35 175.96 1piy s ASP 322 N -3.04 4.36 -0.24 2.29 1.01 -1.26 -3.91 116.67 115.87 1piy s ASP 322 Ca 0.33 1.95 -0.24 0.00 0.71 0.00 0.00 52.55 55.30 1piy s ASP 322 Cb -0.11 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1piy s ASP 322 CO 0.26 -2.13 0.79 -0.76 0.21 0.00 0.00 175.17 173.53 1piy s LEU 323 N -5.77 4.08 0.36 1.23 1.43 -1.26 -4.80 118.68 113.94 1piy s LEU 323 Ca 0.64 0.97 0.21 0.00 -1.03 0.00 0.00 54.13 54.92 1piy s LEU 323 Cb -0.19 -3.12 0.22 0.00 0.03 0.00 0.00 46.19 43.13 1piy s LEU 323 CO 0.53 -0.48 1.45 1.55 0.23 0.00 0.00 176.35 179.63 1piy h PRO 324 N 7.71 0.00 -6.19 1.29 0.13 -1.93 -3.47 132.00 129.54 1piy h PRO 324 Ca -0.24 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 1piy h PRO 324 Cb 1.10 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1piy h PRO 324 CO 0.85 0.10 -0.67 -0.06 -0.23 0.00 0.00 178.00 177.99 1piy s PHE 325 N -3.18 2.59 0.30 1.56 0.08 -1.26 -5.10 117.98 112.96 1piy s PHE 325 Ca 0.05 -0.27 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 1piy s PHE 325 Cb 0.06 -1.17 -0.10 0.00 -0.57 0.00 0.00 43.02 41.24 1piy s PHE 325 CO 0.71 0.63 1.24 0.54 -0.10 0.00 0.00 175.22 178.24 1piy s ASN 326 N -3.64 6.95 0.41 1.36 2.20 -1.26 -4.97 114.94 115.99 1piy s ASN 326 Ca 0.31 2.53 -0.25 0.00 -0.94 0.00 0.00 52.86 54.51 1piy s ASN 326 Cb -0.06 -2.64 -0.08 0.00 -2.00 0.00 0.00 41.25 36.47 1piy s ASN 326 CO 0.19 -0.41 1.17 -0.89 -2.94 0.00 0.00 177.10 174.22 1piy s THR 327 N -1.03 3.16 0.20 0.54 2.01 -1.26 -4.92 115.64 114.34 1piy s THR 327 Ca 0.48 0.94 -0.22 0.00 0.31 0.00 0.00 61.69 63.20 1piy s THR 327 Cb -0.37 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 68.68 1piy s THR 327 CO 0.48 0.06 0.64 -0.60 -0.69 0.00 0.00 174.62 174.50 1piy s ARG 328 N -2.41 1.44 0.71 4.92 3.52 -1.26 -5.17 118.95 120.71 1piy s ARG 328 Ca 0.59 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 55.46 1piy s ARG 328 Cb -0.30 0.60 0.05 0.00 -1.56 0.00 0.00 34.95 33.74 1piy s ARG 328 CO 0.37 -0.64 1.06 -1.54 -0.81 0.00 0.00 175.30 173.74 1piy s SER 329 N -2.80 4.99 -0.08 -2.12 1.04 -1.26 -4.95 113.70 108.52 1piy s SER 329 Ca 0.04 0.73 -0.37 0.00 0.48 0.00 0.00 55.95 56.83 1piy s SER 329 Cb -0.03 -1.43 -0.14 0.00 0.10 0.00 0.00 66.02 64.53 1piy s SER 329 CO -0.07 -1.54 1.70 -3.20 0.98 0.00 0.00 173.24 171.11 1piy n ASN 330 N -2.99 2.74 0.19 7.02 4.05 -1.26 -4.86 115.26 120.15 1piy n ASN 330 Ca 0.07 1.05 0.04 0.00 0.45 0.00 0.00 54.58 56.19 1piy n ASN 330 Cb 0.59 -1.27 0.38 0.00 1.23 0.00 0.00 39.78 40.71 1piy n ASN 330 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1piy h PRO 331 N 7.26 0.00 -2.05 1.20 0.11 -1.92 -3.34 132.00 133.25 1piy h PRO 331 Ca -0.47 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 1piy h PRO 331 Cb 1.30 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.01 1piy h PRO 331 CO 0.91 0.37 -1.01 0.44 -0.21 0.00 0.00 178.00 178.51 1piy n ILE 332 N -3.93 0.18 0.31 4.15 -5.35 -1.26 -4.95 119.36 108.52 1piy n ILE 332 Ca -0.02 -4.44 0.17 0.00 -0.27 0.00 0.00 62.75 58.20 1piy n ILE 332 Cb 0.42 -1.62 0.87 0.00 -1.74 0.00 0.00 39.64 37.57 1piy n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1piy h PRO 333 N 3.77 0.00 0.00 6.28 0.13 -1.98 -0.43 132.00 139.77 1piy h PRO 333 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1piy h PRO 333 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1piy h PRO 333 CO 0.56 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.43 1piy h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.95 -1.15 115.95 119.49 1piy h TRP 334 Ca 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 1piy h TRP 334 Cb 0.60 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.76 1piy h TRP 334 CO 0.00 0.01 -0.01 0.97 -1.28 0.00 0.00 178.44 178.12 1piy h ILE 335 N 0.00 0.04 0.00 0.12 2.10 -1.49 -2.77 117.51 115.51 1piy h ILE 335 Ca -0.00 -0.53 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 1piy h ILE 335 Cb 0.07 1.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1piy h ILE 335 CO 0.00 0.01 -0.03 0.78 -1.08 0.00 0.00 178.15 177.84 1piy h ASN 336 N 0.00 0.00 0.21 2.19 -0.26 -1.40 -1.05 115.58 115.27 1piy h ASN 336 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1piy h ASN 336 Cb 0.50 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1piy h ASN 336 CO 0.00 0.03 -0.18 0.74 -1.06 0.00 0.00 177.43 176.96 1piy h THR 337 N 0.00 1.04 -0.01 2.81 2.02 -1.68 -3.08 112.91 114.01 1piy h THR 337 Ca -0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1piy h THR 337 Cb 0.21 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1piy h THR 337 CO 0.00 0.17 -0.61 0.79 0.37 0.00 0.00 175.52 176.24 1piy n TRP 338 N -4.20 0.00 -3.80 3.16 7.02 -0.41 -5.01 117.44 114.19 1piy n TRP 338 Ca -0.02 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.24 1piy n TRP 338 Cb 0.25 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.10 1piy n TRP 338 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1piy s LEU 339 N -2.53 3.49 0.00 -0.99 1.43 -1.11 -4.80 118.68 114.17 1piy s LEU 339 Ca 0.11 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1piy s LEU 339 Cb 0.14 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.33 1piy s LEU 339 CO 0.60 -0.42 0.54 0.52 0.23 0.00 0.00 176.35 177.82