#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 3.63 -0.01 0.00 5.04 -1.26 -5.06 117.35 119.69 1piy s TYR 2 Ca 0.00 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 1piy s TYR 2 Cb 0.00 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1piy s TYR 2 CO 0.00 0.13 -0.03 -0.08 -1.34 0.00 0.00 175.55 174.23 1piy s THR 3 N -1.68 0.24 -0.75 4.34 -1.32 -1.26 -5.02 115.64 110.20 1piy s THR 3 Ca 0.52 -0.11 0.22 0.00 -1.21 0.00 0.00 61.69 61.11 1piy s THR 3 Cb -0.18 -0.23 0.22 0.00 -1.51 0.00 0.00 72.50 70.81 1piy s THR 3 CO 0.23 0.08 1.69 0.35 -2.21 0.00 0.00 174.62 174.76 1piy n THR 4 N 3.15 0.70 -3.21 5.08 -2.24 -1.26 -4.35 114.28 112.15 1piy n THR 4 Ca -0.14 0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1piy n THR 4 Cb 0.58 -0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.14 -1.41 0.23 4.78 5.36 -1.26 -4.86 117.98 117.67 1piy s PHE 5 Ca 0.08 -0.05 -0.32 0.00 -0.96 0.00 0.00 56.93 55.68 1piy s PHE 5 Cb 0.11 0.16 -0.12 0.00 -0.34 0.00 0.00 43.02 42.83 1piy s PHE 5 CO 0.42 -1.14 1.71 -1.54 -1.46 0.00 0.00 175.22 173.21 1piy s SER 6 N 1.67 6.36 0.00 6.13 1.04 -1.26 -4.90 113.70 122.74 1piy s SER 6 Ca 0.17 2.90 0.29 0.00 0.48 0.00 0.00 55.95 59.80 1piy s SER 6 Cb -0.06 -2.61 1.33 0.00 0.10 0.00 0.00 66.02 64.79 1piy s SER 6 CO -0.06 -0.97 1.91 0.00 0.98 0.00 0.00 173.24 175.10 1piy n GLN 7 N 3.65 1.14 -3.04 4.02 1.13 -1.26 -4.74 117.38 118.28 1piy n GLN 7 Ca 0.15 -0.45 -0.40 0.00 -1.94 0.00 0.00 57.00 54.36 1piy n GLN 7 Cb 0.35 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.17 1piy n GLN 7 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1piy s THR 8 N -2.17 5.05 -0.74 5.09 2.01 -1.26 -5.00 115.64 118.62 1piy s THR 8 Ca 0.37 1.44 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 1piy s THR 8 Cb 0.21 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1piy s THR 8 CO 0.40 0.25 1.38 -0.75 -0.69 0.00 0.00 174.62 175.21 1piy s LYS 9 N 0.82 3.13 0.29 4.92 2.20 -1.26 -4.99 119.74 124.85 1piy s LYS 9 Ca 0.37 -0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.89 1piy s LYS 9 Cb -0.18 -4.30 -0.04 0.00 -1.51 0.00 0.00 37.83 31.80 1piy s LYS 9 CO 0.18 -2.25 0.13 0.54 -0.36 0.00 0.00 175.35 173.58 1piy s ASN 10 N 4.51 4.95 -0.66 1.43 4.22 -1.26 -5.06 114.94 123.07 1piy s ASN 10 Ca 0.41 -0.54 -0.21 0.00 -2.14 0.00 0.00 52.86 50.37 1piy s ASN 10 Cb -0.08 -0.99 0.08 0.00 1.28 0.00 0.00 41.25 41.54 1piy s ASN 10 CO 0.14 -0.13 0.90 -0.62 -2.04 0.00 0.00 177.10 175.35 1piy s ASP 11 N -3.81 6.20 0.65 3.54 -1.08 -1.26 -4.89 116.67 116.03 1piy s ASP 11 Ca 0.35 -1.18 0.39 0.00 -0.52 0.00 0.00 52.55 51.58 1piy s ASP 11 Cb -0.06 -2.38 2.16 0.00 -1.46 0.00 0.00 42.92 41.17 1piy s ASP 11 CO 0.23 -1.33 2.25 1.56 0.52 0.00 0.00 175.17 178.40 1piy h GLN 12 N 9.41 0.00 0.00 4.34 4.20 -1.97 -0.79 115.11 130.30 1piy h GLN 12 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 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 1.15 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.24 1piy h LEU 13 N 0.00 0.00 -1.25 1.46 3.38 -1.95 -3.16 115.31 113.79 1piy h LEU 13 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1piy h LEU 13 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1piy h LEU 13 CO -0.00 0.00 -0.21 0.29 0.09 0.00 0.00 178.44 178.61 1piy n LYS 14 N -2.85 1.58 -2.04 1.13 5.02 -0.31 -4.76 118.16 115.93 1piy n LYS 14 Ca 0.02 -1.17 -0.32 0.00 -2.02 0.00 0.00 58.31 54.82 1piy n LYS 14 Cb 0.35 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.83 3.41 0.74 1.97 0.41 -1.19 -5.04 118.70 117.17 1piy s GLU 15 Ca 0.18 1.09 -0.12 0.00 -0.41 0.00 0.00 54.97 55.71 1piy s GLU 15 Cb 0.15 -2.05 0.04 0.00 -1.78 0.00 0.00 34.13 30.49 1piy s GLU 15 CO 0.36 -0.72 1.13 -1.25 -0.49 0.00 0.00 175.26 174.28 1piy s PRO 16 N -4.27 2.51 0.20 0.39 0.04 -1.26 -4.92 135.00 127.69 1piy s PRO 16 Ca 0.61 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1piy s PRO 16 Cb -0.14 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1piy s PRO 16 CO 0.39 -1.25 1.87 0.52 0.04 0.00 0.00 177.00 178.56 1piy h MET 17 N -0.81 0.90 -5.67 4.56 2.86 -1.96 -3.38 114.93 111.44 1piy h MET 17 Ca -0.45 -0.06 -0.47 0.00 -2.06 0.00 0.00 59.70 56.66 1piy h MET 17 Cb 1.28 -0.20 -0.16 0.00 0.06 0.00 0.00 31.60 32.58 1piy h MET 17 CO 0.65 0.60 -0.75 -0.06 1.06 0.00 0.00 176.91 178.40 1piy s PHE 18 N -6.13 1.71 -0.07 -0.22 0.08 -1.26 -1.11 117.98 110.98 1piy s PHE 18 Ca -0.13 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.39 1piy s PHE 18 Cb 0.14 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 1piy s PHE 18 CO 0.77 0.33 0.00 1.19 -0.10 0.00 0.00 175.22 177.40 1piy n PHE 19 N -0.05 0.00 -0.91 0.36 3.72 0.29 -4.84 117.46 116.04 1piy n PHE 19 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1piy n PHE 19 Cb 0.59 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.72 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 -0.35 1.12 3.73 1.37 0.00 -1.26 -5.01 105.19 104.79 1piy n GLY 20 Ca -0.01 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 2.02 4.38 0.54 1.61 0.74 -1.26 -4.81 119.66 122.89 1piy s GLN 21 Ca 0.00 2.01 -0.22 0.00 0.05 0.00 0.00 55.36 57.20 1piy s GLN 21 Cb 0.00 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 1piy s GLN 21 CO 0.00 -0.30 1.27 -0.35 -0.55 0.00 0.00 175.29 175.36 1piy n PRO 22 N 3.22 1.54 -1.89 1.67 -0.04 -1.26 -4.46 135.00 133.79 1piy n PRO 22 Ca 0.08 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 1piy n PRO 22 Cb 0.43 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 1piy n PRO 22 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1piy s VAL 23 N -1.32 2.43 0.00 0.52 1.01 -1.25 -4.50 120.40 117.29 1piy s VAL 23 Ca 0.71 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1piy s VAL 23 Cb -0.43 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1piy s VAL 23 CO 0.50 0.04 0.00 -0.46 0.00 0.00 0.00 175.10 175.17 1piy n ASN 24 N 3.31 0.00 -4.72 3.32 0.23 -1.26 -4.55 115.26 111.59 1piy n ASN 24 Ca 0.12 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.75 1piy n ASN 24 Cb 0.38 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 1piy n ASN 24 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1piy s VAL 25 N -0.07 4.32 -0.50 3.53 -7.23 -1.26 -4.95 120.40 114.25 1piy s VAL 25 Ca 0.00 1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 61.80 1piy s VAL 25 Cb 0.00 -4.17 0.05 0.00 0.56 0.00 0.00 36.38 32.82 1piy s VAL 25 CO 0.00 0.23 0.66 0.00 -0.31 0.00 0.00 175.10 175.68 1piy s ALA 26 N 0.35 3.36 0.06 1.32 0.00 -1.26 -4.86 121.76 120.73 1piy s ALA 26 Ca 0.51 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.91 1piy s ALA 26 Cb -0.26 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1piy s ALA 26 CO 0.31 -2.01 -0.16 -0.98 0.00 0.00 0.00 175.76 172.92 1piy s ARG 27 N 2.79 0.94 -0.07 0.00 1.70 -1.26 -5.06 118.95 117.98 1piy s ARG 27 Ca 0.18 -0.93 0.10 0.00 -0.47 0.00 0.00 55.73 54.61 1piy s ARG 27 Cb -0.18 -0.99 0.17 0.00 -0.57 0.00 0.00 34.95 33.38 1piy s ARG 27 CO 0.14 0.23 1.09 0.66 -1.08 0.00 0.00 175.30 176.34 1piy n TYR 28 N 1.47 0.00 1.02 5.89 4.01 -1.26 -4.70 117.16 123.59 1piy n TYR 28 Ca -0.20 -0.56 0.13 0.00 -0.16 0.00 0.00 57.90 57.12 1piy n TYR 28 Cb 0.54 -0.11 0.40 0.00 -0.31 0.00 0.00 39.34 39.86 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 -0.70 0.33 -3.49 7.72 5.75 -1.26 -4.88 116.55 120.01 1piy n ASP 29 Ca 0.09 -0.01 -0.14 0.00 -0.01 0.00 0.00 54.79 54.72 1piy n ASP 29 Cb 0.69 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 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 -2.97 1.16 0.00 0.11 -2.07 -1.26 -5.18 119.66 109.46 1piy s GLN 30 Ca 0.13 -0.28 -0.26 0.00 -1.82 0.00 0.00 55.36 53.14 1piy s GLN 30 Cb 0.18 0.53 0.06 0.00 -1.09 0.00 0.00 33.01 32.70 1piy s GLN 30 CO 0.63 -0.46 0.58 1.14 -1.32 0.00 0.00 175.29 175.86 1piy s GLN 31 N -2.91 1.03 0.14 9.60 0.00 -1.26 -4.92 119.66 121.34 1piy s GLN 31 Ca -0.03 -0.01 -0.11 0.00 -0.00 0.00 0.00 55.36 55.21 1piy s GLN 31 Cb -0.00 0.48 -0.06 0.00 0.00 0.00 0.00 33.01 33.42 1piy s GLN 31 CO -0.05 -0.35 1.45 -0.22 0.00 0.00 0.00 175.29 176.11 1piy h LYS 32 N 2.93 0.92 -4.03 9.60 3.64 -1.86 -3.40 116.57 124.37 1piy h LYS 32 Ca -0.29 -0.53 -0.59 0.00 -1.27 0.00 0.00 60.65 57.97 1piy h LYS 32 Cb 1.18 0.04 -0.39 0.00 -0.41 0.00 0.00 32.23 32.65 1piy h LYS 32 CO 0.40 1.17 -0.76 0.71 -2.27 0.00 0.00 179.45 178.70 1piy s TYR 33 N -4.29 2.18 0.54 1.91 2.02 -1.26 -5.00 117.35 113.44 1piy s TYR 33 Ca -0.11 -1.80 0.32 0.00 -0.37 0.00 0.00 57.07 55.11 1piy s TYR 33 Cb 0.11 -1.73 1.81 0.00 -0.40 0.00 0.00 41.96 41.75 1piy s TYR 33 CO 0.89 -0.81 2.22 0.22 -1.57 0.00 0.00 175.55 176.50 1piy h ASP 34 N 7.99 0.00 -0.68 2.29 -0.00 -2.00 -2.92 116.42 121.10 1piy h ASP 34 Ca -0.14 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 56.98 1piy h ASP 34 Cb 1.05 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.34 1piy h ASP 34 CO 0.43 0.04 0.45 -0.29 -0.00 0.00 0.00 179.24 179.87 1piy h ILE 35 N 0.00 0.94 -0.08 2.25 6.09 -1.98 -0.53 117.51 124.20 1piy h ILE 35 Ca -0.00 -0.20 -0.17 0.00 -1.37 0.00 0.00 64.86 63.12 1piy h ILE 35 Cb 0.12 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1piy h ILE 35 CO 0.00 0.10 -0.68 -0.26 -3.07 0.00 0.00 178.15 174.25 1piy h PHE 36 N 0.57 0.47 -0.39 2.19 0.04 -1.86 -0.71 116.94 117.26 1piy h PHE 36 Ca 0.31 -0.20 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 1piy h PHE 36 Cb 0.45 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1piy h PHE 36 CO -0.00 0.93 -0.32 1.49 -0.60 0.00 0.00 178.31 179.81 1piy h GLU 37 N 0.25 0.86 -0.48 1.51 4.57 -1.49 -1.14 114.58 118.66 1piy h GLU 37 Ca -0.02 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.67 1piy h GLU 37 Cb 1.23 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1piy h GLU 37 CO 0.11 1.05 -0.04 0.87 -1.18 0.00 0.00 179.01 179.83 1piy h LYS 38 N 0.72 0.82 -0.43 1.92 1.79 -0.93 -1.28 116.57 119.19 1piy h LYS 38 Ca 0.08 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.18 1piy h LYS 38 Cb 0.88 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1piy h LYS 38 CO 0.08 0.85 -0.21 -0.07 -1.08 0.00 0.00 179.45 179.02 1piy h LEU 39 N 0.76 0.88 0.05 2.94 3.38 -0.90 -0.50 115.31 121.93 1piy h LEU 39 Ca 0.14 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1piy h LEU 39 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1piy h LEU 39 CO 0.03 1.06 -0.03 0.40 0.09 0.00 0.00 178.44 179.99 1piy h ILE 40 N 0.75 1.04 -0.82 1.22 2.04 -0.91 -0.33 117.51 120.50 1piy h ILE 40 Ca 0.10 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1piy h ILE 40 Cb 0.75 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1piy h ILE 40 CO 0.06 0.08 0.50 -0.33 0.00 0.00 0.00 178.15 178.46 1piy h GLU 41 N -0.21 0.88 0.06 2.37 5.08 -1.10 -0.52 114.58 121.14 1piy h GLU 41 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1piy h GLU 41 Cb 0.18 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1piy h GLU 41 CO 0.01 0.58 -0.03 0.87 -1.00 0.00 0.00 179.01 179.44 1piy h LYS 42 N 0.90 -0.08 -0.78 2.33 1.79 -0.85 -1.70 116.57 118.18 1piy h LYS 42 Ca 0.36 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.86 1piy h LYS 42 Cb 0.19 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1piy h LYS 42 CO -0.18 0.12 0.50 0.37 -1.08 0.00 0.00 179.45 179.18 1piy h GLN 43 N -0.27 0.97 -0.29 3.15 5.75 -0.76 -1.46 115.11 122.21 1piy h GLN 43 Ca -0.01 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1piy h GLN 43 Cb 0.23 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1piy h GLN 43 CO 0.01 0.64 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.75 1piy h LEU 44 N 1.00 0.41 -1.16 -2.39 3.38 -1.00 -1.57 115.31 113.98 1piy h LEU 44 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1piy h LEU 44 Cb -0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1piy h LEU 44 CO -0.10 0.49 -0.07 0.77 0.09 0.00 0.00 178.44 179.63 1piy h SER 45 N 0.42 0.00 -0.03 -0.43 4.64 -0.33 -2.86 113.55 114.97 1piy h SER 45 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1piy h SER 45 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1piy h SER 45 CO 0.01 0.07 0.00 0.49 -0.87 0.00 0.00 176.83 176.53 1piy n PHE 46 N -3.17 0.02 -1.59 4.77 3.72 -0.61 -4.97 117.46 115.62 1piy n PHE 46 Ca 0.01 -0.01 -0.55 0.00 -0.05 0.00 0.00 57.45 56.85 1piy n PHE 46 Cb 0.37 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.30 1.41 -4.03 1.38 -0.00 -1.08 -4.96 117.46 110.48 1piy n PHE 47 Ca 0.18 0.73 -0.08 0.00 -0.00 0.00 0.00 57.45 58.29 1piy n PHE 47 Cb 0.38 -2.29 -0.10 0.00 -0.00 0.00 0.00 39.48 37.46 1piy n PHE 47 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.76 178.43 1piy s TRP 48 N 0.87 0.40 -0.21 -5.13 1.48 -1.26 -5.13 118.94 109.95 1piy s TRP 48 Ca 0.88 -0.85 -0.03 0.00 -1.06 0.00 0.00 56.10 55.04 1piy s TRP 48 Cb -1.05 -0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 30.96 1piy s TRP 48 CO 0.53 -0.36 -0.07 1.03 -4.06 0.00 0.00 176.95 174.02 1piy s ARG 49 N -3.28 3.31 0.12 3.25 1.81 -1.26 -5.03 118.95 117.86 1piy s ARG 49 Ca 0.01 -0.66 -0.19 0.00 -1.72 0.00 0.00 55.73 53.16 1piy s ARG 49 Cb 0.03 -2.94 -0.07 0.00 -0.45 0.00 0.00 34.95 31.52 1piy s ARG 49 CO -0.08 -0.20 1.75 -1.00 -0.68 0.00 0.00 175.30 175.09 1piy h PRO 50 N 8.09 0.29 0.00 3.54 0.13 -1.93 -2.78 132.00 139.34 1piy h PRO 50 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1piy h PRO 50 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1piy h PRO 50 CO 0.61 0.23 0.07 0.39 -0.23 0.00 0.00 178.00 179.08 1piy n GLU 51 N -4.91 0.09 0.13 0.86 4.71 -1.26 -0.58 120.64 119.68 1piy n GLU 51 Ca -0.03 0.57 0.02 0.00 -0.01 0.00 0.00 57.16 57.71 1piy n GLU 51 Cb 0.05 -1.87 0.01 0.00 -1.01 0.00 0.00 31.44 28.61 1piy n GLU 51 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1piy h GLU 52 N 0.00 0.00 -6.57 3.49 5.08 -1.93 -3.45 114.58 111.20 1piy h GLU 52 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1piy h GLU 52 Cb 0.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.42 1piy h GLU 52 CO 0.00 0.52 0.67 0.54 -1.00 0.00 0.00 179.01 179.74 1piy s VAL 53 N -2.94 3.45 -0.50 3.13 0.11 0.25 -4.94 120.40 118.96 1piy s VAL 53 Ca 0.03 1.07 -0.28 0.00 -2.93 0.00 0.00 61.98 59.87 1piy s VAL 53 Cb 0.08 -3.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1piy s VAL 53 CO 0.76 0.10 1.40 -0.62 -3.33 0.00 0.00 175.10 173.41 1piy s ASP 54 N 0.89 6.23 -0.11 3.54 2.15 -1.26 -4.82 116.67 123.30 1piy s ASP 54 Ca 0.61 0.52 0.14 0.00 0.43 0.00 0.00 52.55 54.25 1piy s ASP 54 Cb -0.35 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.10 1piy s ASP 54 CO 0.32 -1.58 1.28 1.33 -0.17 0.00 0.00 175.17 176.35 1piy n VAL 55 N 6.96 1.77 0.29 1.11 0.24 -1.26 -4.26 118.33 123.18 1piy n VAL 55 Ca 0.14 -1.65 0.14 0.00 -2.04 0.00 0.00 64.34 60.93 1piy n VAL 55 Cb 0.49 0.01 0.88 0.00 -1.47 0.00 0.00 33.84 33.75 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 1.30 0.00 0.32 -1.34 4.64 -1.93 -2.41 113.55 114.13 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 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1piy h SER 56 CO 0.10 0.00 -1.09 -1.14 -0.87 0.00 0.00 176.83 173.84 1piy n ARG 57 N -3.92 0.26 0.26 4.77 0.63 -1.26 -4.19 116.66 113.21 1piy n ARG 57 Ca -0.03 -0.02 0.09 0.00 -0.92 0.00 0.00 57.85 56.97 1piy n ARG 57 Cb 0.09 -1.57 0.66 0.00 0.45 0.00 0.00 32.46 32.09 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 0.00 0.00 -0.26 6.15 5.19 -1.77 -1.94 116.42 123.80 1piy h ASP 58 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1piy h ASP 58 Cb 0.70 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1piy h ASP 58 CO 0.00 0.09 0.02 -0.09 -3.12 0.00 0.00 179.24 176.14 1piy h ARG 59 N 0.00 0.44 -0.55 3.56 2.43 -1.70 0.52 114.38 119.07 1piy h ARG 59 Ca -0.00 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1piy h ARG 59 Cb 0.18 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1piy h ARG 59 CO 0.01 0.59 0.32 0.82 -1.51 0.00 0.00 179.97 180.20 1piy h ILE 60 N 0.23 1.18 0.24 1.20 1.08 -1.64 -0.94 117.51 118.86 1piy h ILE 60 Ca 0.08 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1piy h ILE 60 Cb 0.38 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1piy h ILE 60 CO 0.01 0.19 -0.11 0.44 -0.69 0.00 0.00 178.15 177.98 1piy h ASP 61 N 0.74 -0.27 -0.23 1.72 3.45 -1.22 -2.72 116.42 117.89 1piy h ASP 61 Ca 0.20 -0.10 0.03 0.00 0.43 0.00 0.00 57.03 57.58 1piy h ASP 61 Cb 0.02 0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1piy h ASP 61 CO -0.03 -0.06 0.05 0.22 -1.57 0.00 0.00 179.24 177.84 1piy h TYR 62 N -0.47 0.08 -0.82 4.55 3.20 -0.79 -2.17 116.97 120.55 1piy h TYR 62 Ca -0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1piy h TYR 62 Cb 0.35 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1piy h TYR 62 CO -0.02 0.03 0.54 0.37 -1.64 0.00 0.00 178.16 177.44 1piy h GLN 63 N 0.14 0.88 -0.00 1.82 4.15 -1.20 -1.69 115.11 119.21 1piy h GLN 63 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1piy h GLN 63 Cb 0.10 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1piy h GLN 63 CO -0.13 0.58 -0.11 0.00 -1.93 0.00 0.00 178.83 177.24 1piy n ALA 64 N -2.42 2.68 -1.77 3.38 0.00 -1.00 -4.88 120.51 116.50 1piy n ALA 64 Ca 0.12 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1piy n ALA 64 Cb 0.21 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1piy n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1piy s LEU 65 N -2.75 4.26 0.78 0.00 1.02 -0.64 -4.97 118.68 116.38 1piy s LEU 65 Ca 0.21 2.55 -0.13 0.00 0.02 0.00 0.00 54.13 56.78 1piy s LEU 65 Cb 0.19 -3.89 0.07 0.00 0.02 0.00 0.00 46.19 42.59 1piy s LEU 65 CO 0.52 -0.72 1.18 -2.16 0.02 0.00 0.00 176.35 175.20 1piy s PRO 66 N -2.15 1.84 0.22 1.29 0.04 -1.26 -4.70 135.00 130.28 1piy s PRO 66 Ca 0.55 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1piy s PRO 66 Cb -0.36 -1.81 0.35 0.00 0.04 0.00 0.00 34.50 32.72 1piy s PRO 66 CO 0.46 -2.04 1.70 0.93 0.04 0.00 0.00 177.00 178.09 1piy h GLU 67 N -0.81 0.27 -0.03 4.56 4.39 -1.96 -1.24 114.58 119.76 1piy h GLU 67 Ca -0.46 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 1piy h GLU 67 Cb 1.28 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1piy h GLU 67 CO 0.48 0.18 -0.24 1.12 -1.16 0.00 0.00 179.01 179.38 1piy h HIS 68 N 0.28 0.06 -0.04 4.33 2.07 -1.90 -1.33 115.15 118.61 1piy h HIS 68 Ca 0.35 -0.01 -0.15 0.00 -2.85 0.00 0.00 60.37 57.71 1piy h HIS 68 Cb 0.53 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 1piy h HIS 68 CO -0.25 0.29 -0.66 0.93 -3.07 0.00 0.00 177.93 175.17 1piy h GLU 69 N 0.05 0.17 -0.39 5.12 5.08 -1.60 -1.23 114.58 121.77 1piy h GLU 69 Ca 0.01 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1piy h GLU 69 Cb 0.45 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1piy h GLU 69 CO 0.03 0.77 -0.00 0.87 -1.00 0.00 0.00 179.01 179.68 1piy h LYS 70 N 0.12 0.70 -0.49 2.33 1.57 -0.55 -0.77 116.57 119.48 1piy h LYS 70 Ca -0.01 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1piy h LYS 70 Cb 1.19 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1piy h LYS 70 CO 0.10 0.79 0.29 1.25 -0.57 0.00 0.00 179.45 181.31 1piy h HIS 71 N 0.53 0.55 0.26 -1.35 2.76 -1.04 0.99 115.15 117.85 1piy h HIS 71 Ca 0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1piy h HIS 71 Cb 0.48 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1piy h HIS 71 CO 0.04 0.32 -0.12 0.82 -1.30 0.00 0.00 177.93 177.68 1piy h ILE 72 N 0.59 0.79 0.07 6.26 2.04 -1.05 -0.95 117.51 125.26 1piy h ILE 72 Ca 0.19 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1piy h ILE 72 Cb 0.01 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1piy h ILE 72 CO -0.08 0.07 -0.15 0.15 0.00 0.00 0.00 178.15 178.13 1piy h PHE 73 N -0.50 -0.40 -0.22 1.37 3.57 -0.93 -2.21 116.94 117.63 1piy h PHE 73 Ca -0.04 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1piy h PHE 73 Cb 0.37 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1piy h PHE 73 CO -0.02 -0.23 -0.28 0.97 -2.23 0.00 0.00 178.31 176.53 1piy h ILE 74 N -0.29 1.27 -0.55 1.41 6.09 -0.83 -1.56 117.51 123.05 1piy h ILE 74 Ca 0.03 -1.30 -0.09 0.00 -1.37 0.00 0.00 64.86 62.13 1piy h ILE 74 Cb 0.32 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 1piy h ILE 74 CO -0.10 0.41 -0.00 0.28 -3.07 0.00 0.00 178.15 175.67 1piy h SER 75 N 0.38 0.96 -0.34 2.19 0.02 -1.05 -0.89 113.55 114.82 1piy h SER 75 Ca 0.05 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1piy h SER 75 Cb 0.69 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1piy h SER 75 CO 0.05 1.03 0.08 -1.13 -1.14 0.00 0.00 176.83 175.73 1piy h ASN 76 N 0.86 0.52 -0.75 3.07 -1.24 -1.19 -2.51 115.58 114.34 1piy h ASN 76 Ca 0.16 -0.23 0.02 0.00 0.71 0.00 0.00 56.30 56.96 1piy h ASN 76 Cb 0.54 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.41 1piy h ASN 76 CO 0.03 0.62 0.48 0.25 -1.29 0.00 0.00 177.43 177.51 1piy h LEU 77 N 0.40 0.80 -1.08 0.34 6.46 -1.07 -1.56 115.31 119.60 1piy h LEU 77 Ca 0.11 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1piy h LEU 77 Cb 0.30 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1piy h LEU 77 CO 0.00 0.56 0.45 0.11 -0.62 0.00 0.00 178.44 178.94 1piy h LYS 78 N 0.94 1.09 -0.45 1.25 1.57 -0.94 -0.01 116.57 120.03 1piy h LYS 78 Ca 0.29 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1piy h LYS 78 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1piy h LYS 78 CO -0.10 0.78 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.50 1piy h TYR 79 N 1.10 1.00 -0.78 -1.35 3.20 -0.98 -0.50 116.97 118.66 1piy h TYR 79 Ca 0.28 -0.22 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1piy h TYR 79 Cb -0.01 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 1piy h TYR 79 CO 0.01 0.99 0.38 1.96 -1.64 0.00 0.00 178.16 179.86 1piy h GLN 80 N 0.72 1.13 -0.73 1.82 4.20 -0.80 -0.73 115.11 120.72 1piy h GLN 80 Ca 0.11 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1piy h GLN 80 Cb 0.69 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1piy h GLN 80 CO 0.05 0.87 0.25 1.15 -0.67 0.00 0.00 178.83 180.48 1piy h THR 81 N 1.10 1.25 0.00 -0.54 2.02 -0.72 -2.03 112.91 114.01 1piy h THR 81 Ca 0.27 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1piy h THR 81 Cb 0.12 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1piy h THR 81 CO -0.03 0.34 -0.00 0.25 0.37 0.00 0.00 175.52 176.44 1piy h LEU 82 N 1.07 -0.00 -0.27 2.58 6.46 -0.42 -1.62 115.31 123.10 1piy h LEU 82 Ca 0.24 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1piy h LEU 82 Cb 0.27 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1piy h LEU 82 CO -0.01 0.12 0.04 -0.07 -0.62 0.00 0.00 178.44 177.89 1piy h LEU 83 N -0.12 -0.03 -1.11 2.25 3.38 -0.86 -1.91 115.31 116.92 1piy h LEU 83 Ca -0.00 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1piy h LEU 83 Cb 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1piy h LEU 83 CO 0.00 0.02 -0.24 0.44 0.09 0.00 0.00 178.44 178.75 1piy h ASP 84 N 0.13 0.00 -0.24 -0.43 3.32 -1.37 0.20 116.42 118.04 1piy h ASP 84 Ca 0.13 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1piy h ASP 84 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1piy h ASP 84 CO -0.18 0.24 -0.00 0.28 -1.72 0.00 0.00 179.24 177.86 1piy h SER 85 N 0.00 0.41 -0.35 6.45 0.02 -0.70 -0.70 113.55 118.69 1piy h SER 85 Ca -0.00 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 1piy h SER 85 Cb 0.76 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1piy h SER 85 CO 0.03 0.62 -0.13 0.40 -1.14 0.00 0.00 176.83 176.61 1piy h ILE 86 N 0.19 1.28 0.00 3.27 2.04 -1.02 -3.13 117.51 120.15 1piy h ILE 86 Ca 0.07 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1piy h ILE 86 Cb 0.41 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1piy h ILE 86 CO 0.01 0.40 0.00 1.56 0.00 0.00 0.00 178.15 180.12 1piy h GLN 87 N 0.48 0.00 -0.01 2.37 1.08 -0.56 -0.31 115.11 118.17 1piy h GLN 87 Ca 0.08 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.06 1piy h GLN 87 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1piy h GLN 87 CO 0.04 0.00 -0.90 0.78 -0.95 0.00 0.00 178.83 177.80 1piy h GLY 88 N 2.46 0.44 0.00 3.46 0.00 -1.06 -3.39 103.07 104.98 1piy h GLY 88 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 47.33 46.25 1piy h GLY 88 CO 0.00 0.66 -2.25 -0.96 0.00 0.00 0.00 176.54 174.00 1piy n ARG 89 N -3.75 0.84 -0.19 4.80 1.85 -1.15 -4.66 116.66 114.40 1piy n ARG 89 Ca -0.06 0.06 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 1piy n ARG 89 Cb 0.81 -1.45 0.03 0.00 -1.05 0.00 0.00 32.46 30.80 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 0.65 -0.99 2.89 0.02 -1.24 -1.53 113.55 113.35 1piy h SER 90 Ca -0.49 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.46 1piy h SER 90 Cb 1.93 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 64.25 1piy h SER 90 CO -0.03 0.50 0.64 -0.65 -1.14 0.00 0.00 176.83 176.16 1piy h PRO 91 N 0.74 1.20 -0.16 3.45 0.11 -1.80 0.15 132.00 135.69 1piy h PRO 91 Ca 0.20 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1piy h PRO 91 Cb -0.04 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.80 1piy h PRO 91 CO -0.04 0.79 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.56 1piy h ASN 92 N 1.24 0.34 0.06 -2.05 2.35 -1.78 -0.74 115.58 115.00 1piy h ASN 92 Ca 0.40 -0.42 -0.19 0.00 -0.55 0.00 0.00 56.30 55.54 1piy h ASN 92 Cb 0.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1piy h ASN 92 CO -0.13 0.68 -0.71 0.58 -1.65 0.00 0.00 177.43 176.21 1piy h VAL 93 N 0.01 1.33 0.08 2.81 2.07 -1.03 -3.09 116.25 118.44 1piy h VAL 93 Ca 0.03 -2.01 -0.35 0.00 0.82 0.00 0.00 66.70 65.19 1piy h VAL 93 Cb 0.56 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1piy h VAL 93 CO 0.02 0.62 -2.01 0.00 0.02 0.00 0.00 177.57 176.23 1piy n ALA 94 N -2.55 1.09 -0.07 1.67 0.00 0.50 -4.59 120.51 116.56 1piy n ALA 94 Ca -0.05 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.49 1piy n ALA 94 Cb 0.70 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 1piy n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1piy n LEU 95 N -3.35 2.81 -0.29 0.00 4.77 -0.32 -4.50 117.00 116.12 1piy n LEU 95 Ca -0.30 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1piy n LEU 95 Cb 1.05 -1.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.40 1piy n LEU 95 CO 0.42 0.89 1.01 0.25 -1.33 0.00 0.00 177.39 178.63 1piy h LEU 96 N 0.01 0.22 0.00 2.23 5.85 -1.37 0.16 115.31 122.41 1piy h LEU 96 Ca -0.51 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1piy h LEU 96 Cb 1.95 0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1piy h LEU 96 CO -0.02 -0.02 0.00 -2.65 -0.34 0.00 0.00 178.44 175.42 1piy n PRO 97 N -5.09 0.02 0.00 5.25 -0.02 -1.26 -3.11 135.00 130.80 1piy n PRO 97 Ca 0.20 0.26 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1piy n PRO 97 Cb 0.60 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.47 1.61 -4.76 2.45 4.77 0.55 -4.99 117.00 115.15 1piy n LEU 98 Ca 0.04 -0.90 -0.40 0.00 -0.03 0.00 0.00 56.01 54.72 1piy n LEU 98 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1piy n LEU 98 CO 0.12 0.31 0.47 -0.63 -1.33 0.00 0.00 177.39 176.33 1piy s ILE 99 N -1.09 4.53 -0.07 -0.08 1.01 -1.10 -0.54 121.20 123.84 1piy s ILE 99 Ca 0.11 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.43 1piy s ILE 99 Cb 0.09 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1piy s ILE 99 CO 0.18 0.46 0.99 -1.54 0.00 0.00 0.00 174.94 175.03 1piy n SER 100 N 2.10 2.00 -4.07 3.58 3.41 -0.27 -3.84 113.62 116.54 1piy n SER 100 Ca -0.04 -1.94 -0.23 0.00 -0.26 0.00 0.00 58.87 56.40 1piy n SER 100 Cb 0.49 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.27 1piy n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1piy s ILE 101 N -0.94 1.10 0.29 -1.33 -4.36 -1.26 -4.59 121.20 110.10 1piy s ILE 101 Ca 0.02 -0.54 -0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1piy s ILE 101 Cb 0.01 -0.95 0.28 0.00 1.25 0.00 0.00 42.46 43.04 1piy s ILE 101 CO 0.01 0.33 1.89 1.55 0.24 0.00 0.00 174.94 178.95 1piy h PRO 102 N 6.28 1.05 -0.47 0.37 0.13 -1.89 -2.09 132.00 135.38 1piy h PRO 102 Ca -0.33 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1piy h PRO 102 Cb 1.17 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1piy h PRO 102 CO 0.48 0.70 0.05 1.05 -0.23 0.00 0.00 178.00 180.05 1piy h GLU 103 N 1.08 0.75 -0.01 0.86 9.09 -1.91 -1.56 114.58 122.87 1piy h GLU 103 Ca 0.43 -0.17 -0.23 0.00 0.05 0.00 0.00 59.36 59.43 1piy h GLU 103 Cb 0.24 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1piy h GLU 103 CO -0.18 0.72 -0.94 1.25 0.05 0.00 0.00 179.01 179.92 1piy h LEU 104 N 0.71 0.62 -0.05 3.06 5.85 -1.87 -1.65 115.31 121.98 1piy h LEU 104 Ca 0.15 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1piy h LEU 104 Cb 0.36 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1piy h LEU 104 CO 0.01 1.28 0.03 -0.08 -0.34 0.00 0.00 178.44 179.34 1piy h GLU 105 N 0.28 0.07 -0.08 1.25 4.81 -1.08 -1.09 114.58 118.73 1piy h GLU 105 Ca -0.08 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1piy h GLU 105 Cb 1.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 1piy h GLU 105 CO 0.17 0.05 -0.46 1.15 -0.73 0.00 0.00 179.01 179.18 1piy h THR 106 N 0.07 1.33 -0.50 0.32 2.02 -1.33 -2.37 112.91 112.45 1piy h THR 106 Ca 0.02 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 1piy h THR 106 Cb -0.01 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1piy h THR 106 CO -0.01 0.49 0.15 -0.25 0.37 0.00 0.00 175.52 176.27 1piy h TRP 107 N 0.16 0.81 -0.51 3.16 -0.00 -0.97 -0.13 115.95 118.48 1piy h TRP 107 Ca 0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 1piy h TRP 107 Cb 0.89 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.79 1piy h TRP 107 CO 0.01 0.71 0.23 0.28 -0.00 0.00 0.00 178.44 179.67 1piy h VAL 108 N 0.68 1.20 -0.26 2.65 2.07 -1.04 0.20 116.25 121.76 1piy h VAL 108 Ca 0.16 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1piy h VAL 108 Cb 0.28 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1piy h VAL 108 CO -0.00 0.23 -0.19 -0.33 0.02 0.00 0.00 177.57 177.30 1piy h GLU 109 N 0.68 0.45 -0.15 1.57 5.08 -1.23 0.12 114.58 121.10 1piy h GLU 109 Ca 0.17 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1piy h GLU 109 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1piy h GLU 109 CO -0.02 0.63 -0.47 1.15 -1.00 0.00 0.00 179.01 179.30 1piy h THR 110 N 0.41 1.34 0.00 1.13 2.02 -0.66 -0.97 112.91 116.19 1piy h THR 110 Ca 0.07 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.51 1piy h THR 110 Cb 0.57 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1piy h THR 110 CO 0.04 0.53 -0.00 -0.25 0.37 0.00 0.00 175.52 176.21 1piy h TRP 111 N 0.22 -0.00 -0.69 3.16 7.01 -0.38 -0.67 115.95 124.61 1piy h TRP 111 Ca -0.02 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.99 1piy h TRP 111 Cb 1.09 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 1piy h TRP 111 CO 0.10 -0.00 0.45 0.00 -2.79 0.00 0.00 178.44 176.20 1piy h ALA 112 N 0.99 0.87 -0.93 2.65 0.00 -0.75 -2.20 119.26 119.88 1piy h ALA 112 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1piy h ALA 112 Cb 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1piy h ALA 112 CO 0.00 0.30 0.61 0.35 0.00 0.00 0.00 179.25 180.51 1piy h PHE 113 N 0.93 1.14 0.00 0.00 3.57 -0.80 -1.60 116.94 120.17 1piy h PHE 113 Ca 0.25 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1piy h PHE 113 Cb -0.10 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.26 1piy h PHE 113 CO -0.02 0.66 -0.17 0.66 -2.23 0.00 0.00 178.31 177.20 1piy h SER 114 N 1.18 0.00 0.39 0.41 4.64 -0.51 -1.75 113.55 117.92 1piy h SER 114 Ca 0.37 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1piy h SER 114 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1piy h SER 114 CO -0.12 0.17 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.11 1piy h GLU 115 N 0.00 0.19 0.00 4.77 4.39 -0.97 -2.49 114.58 120.48 1piy h GLU 115 Ca -0.00 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1piy h GLU 115 Cb 0.33 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1piy h GLU 115 CO 0.02 0.72 -0.32 1.79 -1.16 0.00 0.00 179.01 180.05 1piy h THR 116 N 0.14 1.00 -0.34 1.13 1.35 -1.05 -0.89 112.91 114.25 1piy h THR 116 Ca -0.00 -1.21 -0.15 0.00 -0.55 0.00 0.00 66.41 64.50 1piy h THR 116 Cb 1.06 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1piy h THR 116 CO 0.09 0.32 -0.38 0.40 -0.25 0.00 0.00 175.52 175.70 1piy h ILE 117 N 0.00 1.28 -0.50 6.82 1.08 -1.25 -1.09 117.51 123.85 1piy h ILE 117 Ca -0.00 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 1piy h ILE 117 Cb 0.67 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1piy h ILE 117 CO 0.04 0.51 0.26 0.45 -0.69 0.00 0.00 178.15 178.73 1piy h HIS 118 N 0.67 0.70 -0.80 1.37 3.86 -0.89 -0.91 115.15 119.15 1piy h HIS 118 Ca 0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1piy h HIS 118 Cb 0.94 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 1piy h HIS 118 CO 0.05 0.53 0.50 0.77 0.86 0.00 0.00 177.93 180.64 1piy h SER 119 N 0.66 0.94 0.06 2.45 0.02 -0.97 -0.93 113.55 115.78 1piy h SER 119 Ca 0.17 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1piy h SER 119 Cb 0.07 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1piy h SER 119 CO -0.03 0.71 -0.10 0.03 -1.14 0.00 0.00 176.83 176.30 1piy h ARG 120 N 1.09 0.11 -0.07 3.45 3.08 -0.63 -1.98 114.38 119.43 1piy h ARG 120 Ca 0.29 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 1piy h ARG 120 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1piy h ARG 120 CO -0.06 0.22 -0.64 0.66 -1.07 0.00 0.00 179.97 179.08 1piy h SER 121 N 0.11 0.31 -0.07 7.04 4.64 0.16 -2.30 113.55 123.43 1piy h SER 121 Ca 0.02 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1piy h SER 121 Cb 0.24 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1piy h SER 121 CO 0.01 0.86 -0.27 1.88 -0.87 0.00 0.00 176.83 178.45 1piy h TYR 122 N 0.19 0.58 -0.56 4.77 0.05 -0.62 -0.48 116.97 120.91 1piy h TYR 122 Ca -0.01 -0.13 -0.11 0.00 0.05 0.00 0.00 58.73 58.53 1piy h TYR 122 Cb 1.16 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 1piy h TYR 122 CO 0.03 0.73 -0.09 1.15 -1.05 0.00 0.00 178.16 178.92 1piy h THR 123 N 0.45 1.27 -0.77 -2.88 2.02 -1.32 0.15 112.91 111.83 1piy h THR 123 Ca 0.06 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.00 1piy h THR 123 Cb 0.70 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1piy h THR 123 CO 0.05 0.45 0.50 -0.74 0.37 0.00 0.00 175.52 176.15 1piy h HIS 124 N 0.93 0.95 0.27 3.16 -0.00 -0.87 0.08 115.15 119.68 1piy h HIS 124 Ca 0.15 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1piy h HIS 124 Cb 0.67 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1piy h HIS 124 CO 0.05 0.58 -0.13 0.82 -0.00 0.00 0.00 177.93 179.25 1piy h ILE 125 N 1.02 0.60 -0.15 6.26 2.04 -0.79 -3.14 117.51 123.35 1piy h ILE 125 Ca 0.29 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1piy h ILE 125 Cb -0.08 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1piy h ILE 125 CO -0.07 0.14 -0.22 0.40 0.00 0.00 0.00 178.15 178.40 1piy h ILE 126 N -0.91 0.46 -0.14 -0.67 2.04 -0.63 -1.43 117.51 116.23 1piy h ILE 126 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1piy h ILE 126 Cb 0.51 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1piy h ILE 126 CO 0.06 0.00 0.14 -0.09 0.00 0.00 0.00 178.15 178.27 1piy h ARG 127 N -0.27 0.00 -0.18 2.37 2.43 -1.10 -2.04 114.38 115.58 1piy h ARG 127 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1piy h ARG 127 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1piy h ARG 127 CO -0.30 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.25 1piy n ASN 128 N -3.95 2.69 0.00 -3.80 4.13 -0.58 -4.40 115.26 109.35 1piy n ASN 128 Ca 0.01 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.39 1piy n ASN 128 Cb 0.26 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 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 1.03 0.00 -4.26 2.41 -5.35 -0.81 -4.00 119.36 108.39 1piy n ILE 129 Ca 0.17 -0.19 -0.20 0.00 -0.27 0.00 0.00 62.75 62.26 1piy n ILE 129 Cb 0.52 0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 38.99 1piy n ILE 129 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1piy s VAL 130 N -1.16 1.48 0.09 7.28 1.01 -0.96 -4.81 120.40 123.34 1piy s VAL 130 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.15 1piy s VAL 130 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 1piy s VAL 130 CO 0.00 -0.30 1.45 0.78 0.00 0.00 0.00 175.10 177.03 1piy h ASN 131 N 3.68 0.64 -3.47 3.32 -0.26 -1.89 -3.41 115.58 114.18 1piy h ASN 131 Ca -0.42 -0.43 -0.62 0.00 -0.56 0.00 0.00 56.30 54.28 1piy h ASN 131 Cb 1.19 -0.18 -0.40 0.00 -1.06 0.00 0.00 38.32 37.88 1piy h ASN 131 CO 0.47 0.93 -0.73 -0.62 -1.06 0.00 0.00 177.43 176.42 1piy s ASP 132 N -6.34 4.32 0.54 5.81 2.15 -1.26 -4.98 116.67 116.91 1piy s ASP 132 Ca -0.13 -2.02 0.21 0.00 0.43 0.00 0.00 52.55 51.05 1piy s ASP 132 Cb 0.08 -1.24 1.40 0.00 -0.30 0.00 0.00 42.92 42.87 1piy s ASP 132 CO 0.80 -0.38 2.12 -0.65 -0.17 0.00 0.00 175.17 176.89 1piy h PRO 133 N 7.69 0.00 -0.66 4.34 0.11 -1.88 -2.46 132.00 139.14 1piy h PRO 133 Ca -0.08 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.14 1piy h PRO 133 Cb 1.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1piy h PRO 133 CO 0.50 0.00 0.44 0.77 -0.21 0.00 0.00 178.00 179.51 1piy h SER 134 N 0.00 0.41 -0.62 -2.05 0.02 -1.98 0.25 113.55 109.57 1piy h SER 134 Ca 0.07 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1piy h SER 134 Cb 0.30 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1piy h SER 134 CO -0.00 0.24 0.14 0.58 -1.14 0.00 0.00 176.83 176.64 1piy h VAL 135 N 0.45 1.26 0.19 2.27 2.07 -1.87 0.58 116.25 121.20 1piy h VAL 135 Ca 0.31 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1piy h VAL 135 Cb 0.61 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1piy h VAL 135 CO -0.09 0.35 -0.09 0.58 0.02 0.00 0.00 177.57 178.34 1piy h VAL 136 N 0.92 0.88 -0.61 2.57 2.07 -1.23 -2.62 116.25 118.23 1piy h VAL 136 Ca 0.19 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1piy h VAL 136 Cb 0.38 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1piy h VAL 136 CO 0.00 0.18 0.37 -0.26 0.02 0.00 0.00 177.57 177.89 1piy h PHE 137 N -0.73 0.80 -0.83 1.57 0.04 -1.02 -2.65 116.94 114.12 1piy h PHE 137 Ca -0.03 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1piy h PHE 137 Cb 0.50 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1piy h PHE 137 CO 0.06 0.54 0.45 -0.44 -0.60 0.00 0.00 178.31 178.32 1piy h ASP 138 N 0.82 1.03 0.30 2.17 3.45 -0.96 -2.55 116.42 120.68 1piy h ASP 138 Ca 0.22 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.53 1piy h ASP 138 Cb -0.03 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.47 1piy h ASP 138 CO -0.04 0.83 -0.29 -0.78 -1.57 0.00 0.00 179.24 177.39 1piy h ASP 139 N 1.16 0.00 -0.91 6.45 3.58 -1.13 -2.62 116.42 122.95 1piy h ASP 139 Ca 0.29 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.84 1piy h ASP 139 Cb 0.03 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.01 1piy h ASP 139 CO -0.05 0.29 0.55 0.40 -2.88 0.00 0.00 179.24 177.56 1piy h ILE 140 N 0.00 0.95 -0.07 2.25 2.04 -1.16 0.56 117.51 122.09 1piy h ILE 140 Ca -0.00 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1piy h ILE 140 Cb 0.52 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1piy h ILE 140 CO 0.04 0.17 -0.37 0.58 0.00 0.00 0.00 178.15 178.56 1piy h VAL 141 N 0.93 1.42 0.00 1.67 2.07 -1.55 -3.35 116.25 117.43 1piy h VAL 141 Ca 0.43 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1piy h VAL 141 Cb 0.36 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1piy h VAL 141 CO -0.23 0.52 -0.57 0.71 0.02 0.00 0.00 177.57 178.01 1piy h THR 142 N -0.11 0.00 -2.27 2.57 1.35 -1.26 -3.46 112.91 109.72 1piy h THR 142 Ca -0.03 -0.50 -0.55 0.00 -0.55 0.00 0.00 66.41 64.78 1piy h THR 142 Cb 1.03 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1piy h THR 142 CO 0.08 0.00 1.38 0.21 -0.25 0.00 0.00 175.52 176.94 1piy s ASN 143 N -4.28 5.51 0.25 5.36 3.04 0.19 -4.87 114.94 120.15 1piy s ASN 143 Ca 0.07 1.28 -0.03 0.00 0.04 0.00 0.00 52.86 54.21 1piy s ASN 143 Cb 0.13 -2.52 0.43 0.00 -1.54 0.00 0.00 41.25 37.75 1piy s ASN 143 CO 0.71 -2.02 1.81 1.05 -3.04 0.00 0.00 177.10 175.62 1piy h GLU 144 N 14.55 0.79 -0.20 0.43 4.11 -1.89 -1.39 114.58 130.98 1piy h GLU 144 Ca -0.33 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 58.94 1piy h GLU 144 Cb 1.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1piy h GLU 144 CO 1.06 0.52 -0.37 1.96 0.07 0.00 0.00 179.01 182.25 1piy h GLN 145 N 0.82 0.44 -0.28 1.06 1.08 -1.98 0.20 115.11 116.44 1piy h GLN 145 Ca 0.42 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1piy h GLN 145 Cb 0.40 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1piy h GLN 145 CO -0.26 0.75 -0.31 0.82 -0.95 0.00 0.00 178.83 178.88 1piy h ILE 146 N 0.37 1.30 0.00 2.54 2.04 -1.77 -2.19 117.51 119.81 1piy h ILE 146 Ca 0.04 -1.49 -0.11 0.00 1.00 0.00 0.00 64.86 64.30 1piy h ILE 146 Cb 0.82 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1piy h ILE 146 CO 0.07 0.47 -0.52 1.56 0.00 0.00 0.00 178.15 179.73 1piy h GLN 147 N 0.43 0.00 -0.29 2.37 1.08 -1.17 -2.21 115.11 115.33 1piy h GLN 147 Ca 0.04 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.10 1piy h GLN 147 Cb 0.88 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1piy h GLN 147 CO 0.07 0.52 -0.40 0.87 -0.95 0.00 0.00 178.83 178.94 1piy h LYS 148 N 0.00 0.69 -0.16 1.46 1.79 -0.86 0.21 116.57 119.69 1piy h LYS 148 Ca -0.01 -0.35 -0.11 0.00 -2.18 0.00 0.00 60.65 58.00 1piy h LYS 148 Cb 1.02 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1piy h LYS 148 CO 0.07 0.96 -0.39 -0.09 -1.08 0.00 0.00 179.45 178.92 1piy h ARG 149 N 0.56 0.35 -0.01 3.15 2.43 -1.17 -3.06 114.38 116.63 1piy h ARG 149 Ca 0.05 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1piy h ARG 149 Cb 0.93 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1piy h ARG 149 CO 0.08 0.69 -0.49 0.00 -1.51 0.00 0.00 179.97 178.75 1piy n ALA 150 N -2.48 3.58 -1.61 2.80 0.00 -0.85 -4.78 120.51 117.17 1piy n ALA 150 Ca -0.01 -0.49 -0.50 0.00 0.00 0.00 0.00 53.44 52.43 1piy n ALA 150 Cb 0.48 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1piy n ALA 150 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1piy n GLU 151 N -0.79 1.39 0.00 0.00 0.28 0.72 -2.06 120.64 120.18 1piy n GLU 151 Ca 0.09 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 1piy n GLU 151 Cb 0.38 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 31.09 1piy n GLU 151 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1piy n GLY 152 N 2.65 2.70 0.14 -1.84 0.00 -1.26 -4.97 105.19 102.60 1piy n GLY 152 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1piy n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1piy h ILE 153 N 0.00 0.00 -0.47 -0.61 2.04 -1.82 -2.86 117.51 113.80 1piy h ILE 153 Ca 0.00 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1piy h ILE 153 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1piy h ILE 153 CO 0.00 0.00 -0.01 0.77 0.00 0.00 0.00 178.15 178.91 1piy h SER 154 N -0.76 0.75 -0.85 1.72 4.64 -1.94 -2.67 113.55 114.43 1piy h SER 154 Ca -0.03 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1piy h SER 154 Cb 0.22 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1piy h SER 154 CO 0.05 0.82 0.47 0.77 -0.87 0.00 0.00 176.83 178.06 1piy h SER 155 N 0.72 1.07 -0.24 4.97 4.64 -1.93 0.84 113.55 123.62 1piy h SER 155 Ca 0.14 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1piy h SER 155 Cb 0.46 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1piy h SER 155 CO 0.02 0.86 -0.03 0.22 -0.87 0.00 0.00 176.83 177.03 1piy h TYR 156 N 1.19 0.49 -0.52 4.77 3.20 -1.27 -1.44 116.97 123.40 1piy h TYR 156 Ca 0.30 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1piy h TYR 156 Cb 0.03 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1piy h TYR 156 CO 0.01 0.65 0.32 1.88 -1.64 0.00 0.00 178.16 179.38 1piy h TYR 157 N 0.20 0.61 -0.73 -3.82 0.05 -1.25 -2.13 116.97 109.90 1piy h TYR 157 Ca 0.06 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1piy h TYR 157 Cb 0.47 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 1piy h TYR 157 CO 0.04 0.37 0.47 -0.44 -1.05 0.00 0.00 178.16 177.55 1piy h ASP 158 N 0.66 0.79 -0.50 3.88 3.32 -0.66 -0.77 116.42 123.14 1piy h ASP 158 Ca 0.20 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1piy h ASP 158 Cb -0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1piy h ASP 158 CO -0.07 0.56 0.09 -0.33 -1.72 0.00 0.00 179.24 177.77 1piy h GLU 159 N 0.94 0.82 -0.65 3.56 5.08 -1.02 -1.25 114.58 122.06 1piy h GLU 159 Ca 0.28 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1piy h GLU 159 Cb -0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1piy h GLU 159 CO -0.09 0.81 0.39 1.25 -1.00 0.00 0.00 179.01 180.38 1piy h LEU 160 N 0.70 0.78 -0.54 1.33 5.85 -1.00 -0.01 115.31 122.42 1piy h LEU 160 Ca 0.15 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1piy h LEU 160 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1piy h LEU 160 CO 0.01 0.61 0.23 0.40 -0.34 0.00 0.00 178.44 179.35 1piy h ILE 161 N 0.89 1.21 -0.45 4.05 2.04 -0.95 0.26 117.51 124.57 1piy h ILE 161 Ca 0.23 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1piy h ILE 161 Cb -0.03 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1piy h ILE 161 CO -0.04 0.25 0.09 -0.08 0.00 0.00 0.00 178.15 178.37 1piy h GLU 162 N 0.73 0.72 -0.25 2.37 4.81 -0.86 -1.19 114.58 120.90 1piy h GLU 162 Ca 0.18 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1piy h GLU 162 Cb 0.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1piy h GLU 162 CO -0.02 0.73 -0.17 1.98 -0.73 0.00 0.00 179.01 180.80 1piy h MET 163 N 0.59 0.45 -0.50 1.92 4.05 -0.80 -2.16 114.93 118.47 1piy h MET 163 Ca 0.14 -0.14 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1piy h MET 163 Cb 0.34 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1piy h MET 163 CO 0.00 0.61 -0.06 1.15 0.23 0.00 0.00 176.91 178.85 1piy h THR 164 N 0.41 1.27 -0.62 -0.77 2.02 -0.63 -1.71 112.91 112.88 1piy h THR 164 Ca 0.07 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 1piy h THR 164 Cb 0.54 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1piy h THR 164 CO 0.04 0.41 0.26 0.28 0.37 0.00 0.00 175.52 176.88 1piy h SER 165 N 0.79 0.84 -0.89 4.18 0.02 -0.89 -0.30 113.55 117.30 1piy h SER 165 Ca 0.14 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1piy h SER 165 Cb 0.60 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1piy h SER 165 CO 0.04 0.77 0.57 1.88 -1.14 0.00 0.00 176.83 178.95 1piy h TYR 166 N 0.86 1.14 -0.05 3.45 0.05 -1.20 -0.23 116.97 120.99 1piy h TYR 166 Ca 0.21 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 1piy h TYR 166 Cb 0.18 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.54 1piy h TYR 166 CO 0.01 0.74 0.02 2.35 -1.05 0.00 0.00 178.16 180.22 1piy h TRP 167 N 1.21 0.08 -0.27 4.88 7.01 -0.77 0.10 115.95 128.20 1piy h TRP 167 Ca 0.32 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.26 1piy h TRP 167 Cb -0.10 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1piy h TRP 167 CO -0.00 0.26 -0.08 0.45 -2.79 0.00 0.00 178.44 176.27 1piy h HIS 168 N -0.12 0.45 0.21 2.65 3.86 -0.88 0.16 115.15 121.48 1piy h HIS 168 Ca 0.02 -0.05 -0.29 0.00 -1.16 0.00 0.00 60.37 58.88 1piy h HIS 168 Cb 0.21 -0.13 0.03 0.00 1.06 0.00 0.00 27.41 28.58 1piy h HIS 168 CO -0.00 0.51 -1.34 -0.07 0.86 0.00 0.00 177.93 177.89 1piy h LEU 169 N 0.41 0.69 0.00 2.43 3.38 -0.88 2.70 115.31 124.03 1piy h LEU 169 Ca 0.08 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.08 1piy h LEU 169 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1piy h LEU 169 CO 0.02 1.63 -1.53 0.18 0.09 0.00 0.00 178.44 178.83 1piy n LEU 170 N -3.83 0.00 -0.32 1.67 4.77 0.33 -4.78 117.00 114.84 1piy n LEU 170 Ca -0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.84 1piy n LEU 170 Cb 1.01 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 42.15 1piy n LEU 170 CO 0.55 0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 177.20 1piy n GLY 171 N 2.04 -1.87 3.77 -0.72 0.00 0.54 -4.86 105.19 104.08 1piy n GLY 171 Ca -0.06 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 1piy n GLY 171 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1piy n GLU 172 N -2.50 2.33 -0.15 1.61 4.07 -1.26 -4.72 120.64 120.02 1piy n GLU 172 Ca -0.01 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 1piy n GLU 172 Cb 0.15 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 1piy n GLU 172 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1piy n GLY 173 N 0.55 0.90 3.28 8.31 0.00 -0.33 -4.97 105.19 112.93 1piy n GLY 173 Ca 0.04 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1piy n GLY 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1piy s THR 174 N -1.60 3.18 0.43 2.61 -4.23 -1.26 -0.12 115.64 114.65 1piy s THR 174 Ca 0.00 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.98 1piy s THR 174 Cb 0.00 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 1piy s THR 174 CO 0.00 0.41 0.13 -1.00 -0.54 0.00 0.00 174.62 173.62 1piy s HIS 175 N 1.44 2.44 -0.27 3.99 3.76 0.11 -4.95 115.29 121.82 1piy s HIS 175 Ca 0.05 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.32 1piy s HIS 175 Cb -0.14 -1.87 0.07 0.00 1.11 0.00 0.00 32.58 31.74 1piy s HIS 175 CO -0.05 0.21 -0.06 0.99 -0.85 0.00 0.00 174.74 174.99 1piy s THR 176 N -2.67 1.94 -0.26 1.30 2.01 -1.26 -0.73 115.64 115.97 1piy s THR 176 Ca 0.35 -1.62 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 1piy s THR 176 Cb 0.05 -2.17 0.04 0.00 0.01 0.00 0.00 72.50 70.43 1piy s THR 176 CO 0.19 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1piy s VAL 177 N 1.18 2.69 -1.52 3.82 1.01 0.71 -4.66 120.40 123.63 1piy s VAL 177 Ca -0.04 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1piy s VAL 177 Cb -0.19 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.80 1piy s VAL 177 CO -0.07 0.07 0.91 0.59 0.00 0.00 0.00 175.10 176.60 1piy n ASN 178 N 4.59 -4.02 0.00 3.32 3.02 -1.26 -1.48 115.26 119.44 1piy n ASN 178 Ca -0.15 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1piy n ASN 178 Cb 0.45 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 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 -1.66 0.81 3.49 7.41 0.00 -1.26 -5.03 105.19 108.95 1piy n GLY 179 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 2.07 -0.19 1.61 1.02 -0.55 -5.09 119.74 118.58 1piy s LYS 180 Ca 0.00 -1.00 -0.25 0.00 0.02 0.00 0.00 55.97 54.74 1piy s LYS 180 Cb 0.00 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1piy s LYS 180 CO 0.00 0.53 0.81 0.99 -0.92 0.00 0.00 175.35 176.76 1piy s THR 181 N -1.02 4.89 -0.14 2.17 2.01 -1.26 -0.21 115.64 122.09 1piy s THR 181 Ca 0.16 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.75 1piy s THR 181 Cb -0.11 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1piy s THR 181 CO 0.08 0.02 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.14 1piy s VAL 182 N 2.24 1.88 -0.18 3.82 1.01 0.09 -4.96 120.40 124.30 1piy s VAL 182 Ca 0.36 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1piy s VAL 182 Cb -0.16 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1piy s VAL 182 CO 0.11 0.51 0.24 -0.89 0.00 0.00 0.00 175.10 175.07 1piy s THR 183 N 1.02 5.34 -0.35 3.92 2.01 -1.26 0.08 115.64 126.40 1piy s THR 183 Ca -0.03 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1piy s THR 183 Cb -0.15 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 68.88 1piy s THR 183 CO -0.05 0.40 0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 1piy s VAL 184 N 0.48 2.70 -0.19 3.82 1.01 0.83 -5.00 120.40 124.04 1piy s VAL 184 Ca 0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 1piy s VAL 184 Cb -0.12 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1piy s VAL 184 CO 0.02 -0.53 -0.03 -0.55 0.00 0.00 0.00 175.10 174.01 1piy s SER 185 N 1.28 4.59 0.20 3.32 0.15 -1.26 -1.18 113.70 120.80 1piy s SER 185 Ca 0.07 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.39 1piy s SER 185 Cb -0.20 -1.77 0.15 0.00 -1.71 0.00 0.00 66.02 62.48 1piy s SER 185 CO -0.06 0.06 1.66 0.25 1.20 0.00 0.00 173.24 176.35 1piy h LEU 186 N 7.51 0.94 -1.02 3.45 5.85 -1.97 -1.25 115.31 128.82 1piy h LEU 186 Ca -0.36 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.10 1piy h LEU 186 Cb 1.18 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1piy h LEU 186 CO 0.60 1.03 0.66 -0.09 -0.34 0.00 0.00 178.44 180.30 1piy h ARG 187 N 0.87 1.29 -0.23 1.25 2.43 -1.99 0.30 114.38 118.30 1piy h ARG 187 Ca 0.15 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 1piy h ARG 187 Cb 0.58 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1piy h ARG 187 CO 0.04 0.85 -0.35 1.49 -1.51 0.00 0.00 179.97 180.49 1piy h GLU 188 N 1.33 0.50 -0.19 0.20 4.57 -1.90 -1.40 114.58 117.69 1piy h GLU 188 Ca 0.38 -0.23 -0.15 0.00 -1.18 0.00 0.00 59.36 58.18 1piy h GLU 188 Cb -0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1piy h GLU 188 CO -0.10 0.79 -0.49 1.25 -1.18 0.00 0.00 179.01 179.28 1piy h LEU 189 N 0.43 0.56 -0.72 1.64 5.85 -0.04 -1.56 115.31 121.46 1piy h LEU 189 Ca 0.05 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1piy h LEU 189 Cb 0.81 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1piy h LEU 189 CO 0.07 0.96 -0.09 0.11 -0.34 0.00 0.00 178.44 179.14 1piy h LYS 190 N 0.41 0.89 -0.70 1.25 1.57 -0.14 -0.84 116.57 119.01 1piy h LYS 190 Ca 0.02 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1piy h LYS 190 Cb 1.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1piy h LYS 190 CO 0.09 0.94 0.23 0.87 -0.57 0.00 0.00 179.45 181.01 1piy h LYS 191 N 0.80 1.08 -0.37 3.15 1.57 -0.99 0.89 116.57 122.70 1piy h LYS 191 Ca 0.13 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1piy h LYS 191 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1piy h LYS 191 CO 0.04 0.93 0.09 -0.22 -0.57 0.00 0.00 179.45 179.72 1piy h LYS 192 N 1.02 0.60 -0.36 3.15 1.63 -0.89 -0.98 116.57 120.76 1piy h LYS 192 Ca 0.23 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1piy h LYS 192 Cb 0.29 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1piy h LYS 192 CO -0.01 0.64 0.17 1.25 -3.45 0.00 0.00 179.45 178.06 1piy h LEU 193 N 0.46 0.46 -0.23 5.20 5.85 -0.93 -0.47 115.31 125.66 1piy h LEU 193 Ca 0.12 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1piy h LEU 193 Cb 0.31 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1piy h LEU 193 CO 0.00 0.45 0.07 0.22 -0.34 0.00 0.00 178.44 178.84 1piy h TYR 194 N 0.44 0.12 0.00 1.25 3.20 -0.61 -0.48 116.97 120.89 1piy h TYR 194 Ca 0.12 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1piy h TYR 194 Cb 0.11 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1piy h TYR 194 CO -0.02 0.05 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.14 1piy h LEU 195 N 0.17 0.00 -0.07 2.82 3.38 -1.07 -1.82 115.31 118.71 1piy h LEU 195 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1piy h LEU 195 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1piy h LEU 195 CO -0.11 0.34 0.01 0.00 0.09 0.00 0.00 178.44 178.76 1piy h LEU 197 N -0.14 1.07 -1.00 0.00 3.38 -0.80 0.17 115.31 118.00 1piy h LEU 197 Ca 0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1piy h LEU 197 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1piy h LEU 197 CO 0.00 0.73 -0.12 -0.03 0.09 0.00 0.00 178.44 179.11 1piy h MET 198 N 1.24 0.58 -0.41 1.13 4.05 -1.12 0.71 114.93 121.10 1piy h MET 198 Ca 0.39 -0.18 -0.14 0.00 -0.28 0.00 0.00 59.70 59.50 1piy h MET 198 Cb 0.01 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1piy h MET 198 CO -0.12 0.69 -0.27 0.77 0.23 0.00 0.00 176.91 178.21 1piy h SER 199 N 0.53 0.96 -0.20 1.39 0.02 0.37 -1.52 113.55 115.10 1piy h SER 199 Ca 0.10 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1piy h SER 199 Cb 0.53 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1piy h SER 199 CO 0.03 1.18 -0.16 0.58 -1.14 0.00 0.00 176.83 177.32 1piy h VAL 200 N 0.74 1.25 -0.60 2.27 2.07 -0.41 -0.63 116.25 120.95 1piy h VAL 200 Ca 0.08 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1piy h VAL 200 Cb 0.86 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1piy h VAL 200 CO 0.08 0.39 0.34 -1.13 0.02 0.00 0.00 177.57 177.26 1piy h ASN 201 N 0.56 0.74 -0.05 0.57 -0.73 -0.51 0.01 115.58 116.16 1piy h ASN 201 Ca 0.09 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.10 1piy h ASN 201 Cb 0.60 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1piy h ASN 201 CO 0.04 0.60 -0.19 0.00 -0.37 0.00 0.00 177.43 177.51 1piy h ALA 202 N 1.16 1.22 -0.23 1.57 0.00 -0.78 0.32 119.26 122.52 1piy h ALA 202 Ca 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1piy h ALA 202 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1piy h ALA 202 CO -0.04 0.50 0.04 1.25 0.00 0.00 0.00 179.25 181.01 1piy h LEU 203 N 0.39 0.36 0.00 0.00 6.46 -0.47 -0.65 115.31 121.40 1piy h LEU 203 Ca 0.07 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1piy h LEU 203 Cb 0.56 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1piy h LEU 203 CO 0.04 0.53 -0.00 -0.33 -0.62 0.00 0.00 178.44 178.05 1piy h GLU 204 N 0.18 -0.01 -0.04 1.25 4.39 -0.71 -2.16 114.58 117.49 1piy h GLU 204 Ca 0.07 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1piy h GLU 204 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1piy h GLU 204 CO 0.00 0.31 -0.68 0.00 -1.16 0.00 0.00 179.01 177.49 1piy h ALA 205 N 0.67 0.80 0.00 3.43 0.00 -0.40 -3.38 119.26 120.37 1piy h ALA 205 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1piy h ALA 205 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1piy h ALA 205 CO 0.00 0.79 -0.21 -0.89 0.00 0.00 0.00 179.25 178.94 1piy n ILE 206 N -3.80 1.16 -0.11 0.00 5.41 -0.27 -4.54 119.36 117.22 1piy n ILE 206 Ca -0.02 0.34 -0.06 0.00 1.00 0.00 0.00 62.75 64.01 1piy n ILE 206 Cb 0.67 -1.66 0.01 0.00 -0.71 0.00 0.00 39.64 37.95 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 -0.11 -0.07 -0.65 0.38 3.08 -1.37 -0.75 114.38 114.90 1piy h ARG 207 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1piy h ARG 207 Cb 0.20 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1piy h ARG 207 CO -0.00 -0.05 0.23 0.74 -1.07 0.00 0.00 179.97 179.82 1piy h PHE 208 N -0.07 1.01 -0.22 3.04 0.04 -1.57 -2.89 116.94 116.27 1piy h PHE 208 Ca 0.18 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 1piy h PHE 208 Cb 0.35 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1piy h PHE 208 CO -0.38 0.81 -0.24 1.88 -0.60 0.00 0.00 178.31 179.78 1piy h TYR 209 N 0.92 0.46 -0.64 -0.55 -1.99 -1.59 -0.52 116.97 113.06 1piy h TYR 209 Ca 0.21 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1piy h TYR 209 Cb 0.25 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1piy h TYR 209 CO 0.02 0.63 0.22 0.28 -0.00 0.00 0.00 178.16 179.31 1piy h VAL 210 N 0.37 1.24 -0.09 -2.88 2.07 -1.08 -1.79 116.25 114.09 1piy h VAL 210 Ca 0.06 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1piy h VAL 210 Cb 0.63 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1piy h VAL 210 CO 0.04 0.31 -0.37 0.77 0.02 0.00 0.00 177.57 178.35 1piy h SER 211 N 0.91 0.20 -0.61 0.57 4.64 -1.23 -2.67 113.55 115.36 1piy h SER 211 Ca 0.21 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1piy h SER 211 Cb 0.26 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1piy h SER 211 CO -0.01 0.56 0.07 -0.26 -0.87 0.00 0.00 176.83 176.32 1piy h PHE 212 N 0.17 1.11 -0.63 4.77 0.04 -0.54 -1.71 116.94 120.14 1piy h PHE 212 Ca 0.02 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.68 1piy h PHE 212 Cb 0.73 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 1piy h PHE 212 CO 0.01 0.96 0.35 0.00 -0.60 0.00 0.00 178.31 179.03 1piy h ALA 213 N 1.01 0.84 -0.60 2.45 0.00 -1.01 0.96 119.26 122.91 1piy h ALA 213 Ca 0.18 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1piy h ALA 213 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1piy h ALA 213 CO 0.02 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1piy h SER 215 N 0.95 0.23 0.75 0.00 0.02 -0.55 -3.00 113.55 111.96 1piy h SER 215 Ca 0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1piy h SER 215 Cb 0.52 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1piy h SER 215 CO 0.03 0.39 0.00 0.49 -1.14 0.00 0.00 176.83 176.59 1piy n PHE 216 N -4.83 0.59 0.09 3.45 3.72 0.26 -2.24 117.46 118.50 1piy n PHE 216 Ca -0.05 0.22 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1piy n PHE 216 Cb 0.15 -0.86 0.34 0.00 -0.94 0.00 0.00 39.48 38.18 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 2.38 1.41 0.08 4.37 0.00 -1.22 0.14 119.26 126.42 1piy h ALA 217 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1piy h ALA 217 Cb 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1piy h ALA 217 CO 0.00 0.41 -1.12 0.74 0.00 0.00 0.00 179.25 179.27 1piy h PHE 218 N 0.28 0.69 -0.18 0.00 -1.00 -1.56 -3.15 116.94 112.02 1piy h PHE 218 Ca 0.06 -0.43 -0.02 0.00 2.81 0.00 0.00 57.97 60.38 1piy h PHE 218 Cb 0.43 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1piy h PHE 218 CO 0.01 1.28 0.02 0.00 -1.61 0.00 0.00 178.31 178.02 1piy h ALA 219 N 0.56 1.70 -0.24 2.45 0.00 -1.34 -1.61 119.26 120.77 1piy h ALA 219 Ca -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1piy h ALA 219 Cb 1.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1piy h ALA 219 CO 0.20 0.23 -0.03 0.93 0.00 0.00 0.00 179.25 180.58 1piy h GLU 220 N 0.26 0.37 -0.67 0.00 4.39 -0.95 -2.02 114.58 115.96 1piy h GLU 220 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1piy h GLU 220 Cb 0.14 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1piy h GLU 220 CO 0.00 0.42 0.02 2.89 -1.16 0.00 0.00 179.01 181.18 1piy n ARG 221 N -4.31 4.11 -2.81 2.33 0.00 -0.67 -4.92 116.66 110.39 1piy n ARG 221 Ca 0.00 -2.55 -0.19 0.00 -0.00 0.00 0.00 57.85 55.12 1piy n ARG 221 Cb 0.23 -2.12 0.02 0.00 -0.00 0.00 0.00 32.46 30.59 1piy n ARG 221 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1piy n GLU 222 N 0.47 -3.72 -4.46 2.89 1.02 -0.76 -5.03 120.64 111.06 1piy n GLU 222 Ca 0.23 0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 57.91 1piy n GLU 222 Cb 1.03 -5.31 -0.10 0.00 -0.02 0.00 0.00 31.44 27.04 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 -5.56 2.56 -1.27 -4.62 1.02 -0.84 -4.78 118.68 105.19 1piy s LEU 223 Ca 0.22 -1.00 -0.11 0.00 0.02 0.00 0.00 54.13 53.26 1piy s LEU 223 Cb -0.10 -1.09 -0.00 0.00 0.02 0.00 0.00 46.19 45.02 1piy s LEU 223 CO 0.27 0.04 0.61 0.23 0.02 0.00 0.00 176.35 177.52 1piy n MET 224 N -0.45 -2.34 0.21 1.70 2.81 -1.26 -3.67 117.12 114.13 1piy n MET 224 Ca -0.07 0.42 0.09 0.00 -1.81 0.00 0.00 57.70 56.34 1piy n MET 224 Cb 0.59 -4.29 0.35 0.00 -0.71 0.00 0.00 33.22 29.16 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 -1.91 0.00 -0.14 0.03 5.08 -1.93 -1.26 114.58 114.44 1piy h GLU 225 Ca -0.65 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.61 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 0.55 0.25 -0.32 0.78 -1.00 0.00 0.00 179.01 179.27 1piy h GLY 226 N 2.61 0.51 1.04 -3.84 0.00 -1.90 -2.19 103.07 99.30 1piy h GLY 226 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1piy h GLY 226 CO 0.03 0.56 0.42 -0.57 0.00 0.00 0.00 176.54 176.98 1piy h ASN 227 N 0.08 1.12 -0.69 0.19 -0.73 -1.86 -2.36 115.58 111.32 1piy h ASN 227 Ca 0.00 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 1piy h ASN 227 Cb 0.92 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1piy h ASN 227 CO 0.07 0.93 0.39 0.00 -0.37 0.00 0.00 177.43 178.45 1piy h ALA 228 N 1.23 0.89 -0.77 1.57 0.00 -1.15 0.16 119.26 121.18 1piy h ALA 228 Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1piy h ALA 228 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1piy h ALA 228 CO -0.04 0.39 0.27 0.87 0.00 0.00 0.00 179.25 180.75 1piy h LYS 229 N 0.95 1.17 -0.17 0.00 1.79 -1.11 -0.26 116.57 118.94 1piy h LYS 229 Ca 0.24 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1piy h LYS 229 Cb 0.03 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1piy h LYS 229 CO -0.04 0.97 -0.03 0.82 -1.08 0.00 0.00 179.45 180.10 1piy h ILE 230 N 1.13 1.28 -0.16 1.86 2.04 -0.91 -2.30 117.51 120.45 1piy h ILE 230 Ca 0.25 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 1piy h ILE 230 Cb 0.27 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1piy h ILE 230 CO -0.01 0.28 -0.12 0.40 0.00 0.00 0.00 178.15 178.70 1piy h ILE 231 N 0.04 1.17 -0.62 -0.67 1.08 -0.52 0.67 117.51 118.66 1piy h ILE 231 Ca 0.04 -0.76 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 1piy h ILE 231 Cb 0.45 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1piy h ILE 231 CO 0.01 0.24 0.17 0.03 -0.69 0.00 0.00 178.15 177.91 1piy h ARG 232 N 0.24 0.99 -0.35 2.37 3.08 -0.90 0.20 114.38 120.01 1piy h ARG 232 Ca 0.05 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 1piy h ARG 232 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1piy h ARG 232 CO 0.02 0.89 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.42 1piy h LEU 233 N 0.91 0.82 -0.40 3.04 3.38 -0.74 -2.02 115.31 120.29 1piy h LEU 233 Ca 0.20 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1piy h LEU 233 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1piy h LEU 233 CO -0.00 1.07 -0.12 0.40 0.09 0.00 0.00 178.44 179.88 1piy h ILE 234 N 0.66 1.28 -0.91 1.22 2.04 -0.65 -2.65 117.51 118.49 1piy h ILE 234 Ca 0.07 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1piy h ILE 234 Cb 0.86 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1piy h ILE 234 CO 0.08 0.41 0.59 0.00 0.00 0.00 0.00 178.15 179.22 1piy h ALA 235 N 0.84 1.20 -0.79 1.87 0.00 -0.46 0.58 119.26 122.50 1piy h ALA 235 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1piy h ALA 235 Cb 0.65 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1piy h ALA 235 CO 0.04 0.46 0.51 -0.09 0.00 0.00 0.00 179.25 180.17 1piy h ARG 236 N 1.15 1.05 -0.12 0.00 2.43 -1.18 -0.89 114.38 116.82 1piy h ARG 236 Ca 0.36 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1piy h ARG 236 Cb -0.01 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1piy h ARG 236 CO -0.12 0.70 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.47 1piy h ASP 237 N 1.08 0.33 -0.24 -3.80 3.32 -0.87 -3.17 116.42 113.08 1piy h ASP 237 Ca 0.29 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1piy h ASP 237 Cb -0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1piy h ASP 237 CO -0.06 0.77 0.15 -0.33 -1.72 0.00 0.00 179.24 178.04 1piy h GLU 238 N -0.10 0.33 -0.88 3.56 4.39 -0.54 -0.79 114.58 120.54 1piy h GLU 238 Ca 0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1piy h GLU 238 Cb 0.68 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1piy h GLU 238 CO 0.03 0.23 0.54 0.00 -1.16 0.00 0.00 179.01 178.65 1piy h ALA 239 N 1.83 1.28 -0.33 3.43 0.00 -1.14 0.15 119.26 124.47 1piy h ALA 239 Ca 0.09 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1piy h ALA 239 Cb -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1piy h ALA 239 CO -0.02 0.62 -0.37 -0.07 0.00 0.00 0.00 179.25 179.42 1piy h LEU 240 N 1.22 0.90 -0.65 0.00 3.38 -1.18 -2.37 115.31 116.61 1piy h LEU 240 Ca 0.32 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1piy h LEU 240 Cb -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1piy h LEU 240 CO -0.06 1.20 0.39 0.45 0.09 0.00 0.00 178.44 180.50 1piy h HIS 241 N 0.62 0.86 0.00 1.13 3.86 -0.50 -0.81 115.15 120.32 1piy h HIS 241 Ca 0.05 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1piy h HIS 241 Cb 0.95 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1piy h HIS 241 CO 0.07 0.59 -0.44 1.37 0.86 0.00 0.00 177.93 180.38 1piy h LEU 242 N 0.88 0.00 -0.66 2.43 8.10 -1.01 -1.82 115.31 123.24 1piy h LEU 242 Ca 0.23 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.13 1piy h LEU 242 Cb -0.02 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.18 1piy h LEU 242 CO -0.04 0.44 -0.01 0.74 -4.11 0.00 0.00 178.44 175.45 1piy h THR 243 N 0.00 1.26 -0.38 0.15 2.02 -0.86 -0.00 112.91 115.11 1piy h THR 243 Ca -0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1piy h THR 243 Cb 0.99 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1piy h THR 243 CO 0.06 0.42 0.20 1.23 0.37 0.00 0.00 175.52 177.79 1piy h GLY 244 N 0.99 0.57 1.28 2.16 0.00 -0.62 -1.58 103.07 105.88 1piy h GLY 244 Ca 0.17 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1piy h GLY 244 CO 0.03 0.26 -0.52 -0.91 0.00 0.00 0.00 176.54 175.40 1piy h THR 245 N 0.48 1.29 -0.80 4.70 1.35 -1.12 -1.44 112.91 117.38 1piy h THR 245 Ca 0.13 -1.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.25 1piy h THR 245 Cb 0.08 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 1piy h THR 245 CO -0.02 0.55 0.41 1.56 -0.25 0.00 0.00 175.52 177.78 1piy h GLN 246 N 0.59 1.12 -0.24 4.72 4.20 -0.89 -0.70 115.11 123.91 1piy h GLN 246 Ca 0.02 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 1piy h GLN 246 Cb 1.10 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1piy h GLN 246 CO 0.11 0.84 -0.41 0.45 -0.67 0.00 0.00 178.83 179.14 1piy h HIS 247 N 1.12 0.89 -0.23 2.96 3.86 -1.16 0.30 115.15 122.89 1piy h HIS 247 Ca 0.28 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1piy h HIS 247 Cb 0.06 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1piy h HIS 247 CO 0.01 1.08 0.03 0.52 0.86 0.00 0.00 177.93 180.44 1piy h MET 248 N 0.43 0.12 -0.26 2.45 2.86 -0.96 0.67 114.93 120.24 1piy h MET 248 Ca 0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1piy h MET 248 Cb 1.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1piy h MET 248 CO 0.09 0.08 0.09 -0.07 1.06 0.00 0.00 176.91 178.16 1piy h LEU 249 N 0.12 0.37 -0.99 1.22 3.38 -1.06 -1.90 115.31 116.45 1piy h LEU 249 Ca 0.11 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1piy h LEU 249 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1piy h LEU 249 CO -0.15 0.46 -0.49 0.78 0.09 0.00 0.00 178.44 179.13 1piy h ASN 250 N 0.26 0.00 -0.37 -0.43 2.35 -0.77 -1.14 115.58 115.48 1piy h ASN 250 Ca 0.08 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1piy h ASN 250 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1piy h ASN 250 CO -0.00 0.49 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.79 1piy h LEU 251 N 0.00 1.00 -0.65 1.61 3.38 -0.77 -1.54 115.31 118.35 1piy h LEU 251 Ca -0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1piy h LEU 251 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1piy h LEU 251 CO 0.06 1.27 0.19 -0.07 0.09 0.00 0.00 178.44 179.99 1piy h LEU 252 N 0.75 0.95 -1.29 1.67 3.38 -1.07 -2.71 115.31 117.00 1piy h LEU 252 Ca 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1piy h LEU 252 Cb 1.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1piy h LEU 252 CO 0.10 0.92 0.06 -0.09 0.09 0.00 0.00 178.44 179.52 1piy h ARG 253 N 0.94 0.55 0.00 1.13 9.65 -1.05 -2.91 114.38 122.69 1piy h ARG 253 Ca 0.21 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1piy h ARG 253 Cb 0.31 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1piy h ARG 253 CO -0.00 0.53 -0.02 0.66 2.80 0.00 0.00 179.97 183.93 1piy h SER 254 N 0.54 0.00 0.00 -3.80 4.64 -0.94 -3.45 113.55 110.54 1piy h SER 254 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1piy h SER 254 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1piy h SER 254 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1piy n GLY 255 N -0.92 0.72 0.08 -0.77 0.00 -1.10 -4.89 105.19 98.30 1piy n GLY 255 Ca -0.02 0.00 0.13 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 n ALA 256 N 0.74 2.48 -2.33 4.61 0.00 -1.25 -4.63 120.51 120.13 1piy n ALA 256 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1piy n ALA 256 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1piy n ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1piy n ASP 257 N -2.11 0.00 -4.65 0.00 2.03 -1.26 -4.98 116.55 105.58 1piy n ASP 257 Ca 0.05 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.92 1piy n ASP 257 Cb 0.42 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.78 1piy n ASP 257 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1piy n ASP 258 N 0.00 3.80 0.07 1.67 -0.08 -1.26 -4.85 116.55 115.90 1piy n ASP 258 Ca 0.00 0.81 0.07 0.00 -1.51 0.00 0.00 54.79 54.17 1piy n ASP 258 Cb 0.00 -1.48 0.52 0.00 2.34 0.00 0.00 41.12 42.50 1piy n ASP 258 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1piy h PRO 259 N 10.90 0.32 -0.28 -0.67 0.13 -1.94 -1.71 132.00 138.75 1piy h PRO 259 Ca -0.48 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1piy h PRO 259 Cb 1.25 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1piy h PRO 259 CO 0.95 0.21 -0.08 1.49 -0.23 0.00 0.00 178.00 180.34 1piy h GLU 260 N 0.33 0.45 -0.09 0.86 4.81 -1.97 -2.19 114.58 116.78 1piy h GLU 260 Ca 0.13 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1piy h GLU 260 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1piy h GLU 260 CO -0.03 0.54 -0.29 0.52 -0.73 0.00 0.00 179.01 179.02 1piy h MET 261 N 0.42 0.17 -0.44 1.92 2.86 -1.63 -0.74 114.93 117.49 1piy h MET 261 Ca 0.09 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1piy h MET 261 Cb 0.40 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1piy h MET 261 CO 0.02 0.45 -0.23 0.00 1.06 0.00 0.00 176.91 178.21 1piy h ALA 262 N 1.55 0.62 -0.31 6.32 0.00 -1.33 0.23 119.26 126.35 1piy h ALA 262 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1piy h ALA 262 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1piy h ALA 262 CO 0.04 0.62 0.14 0.93 0.00 0.00 0.00 179.25 180.98 1piy h GLU 263 N 0.77 0.45 -0.52 0.00 5.08 -1.13 -2.74 114.58 116.50 1piy h GLU 263 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1piy h GLU 263 Cb 0.81 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1piy h GLU 263 CO 0.07 0.43 0.34 0.82 -1.00 0.00 0.00 179.01 179.67 1piy h ILE 264 N 0.36 1.14 -0.90 3.13 2.04 -0.96 -0.43 117.51 121.90 1piy h ILE 264 Ca 0.11 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.78 1piy h ILE 264 Cb 0.14 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 1piy h ILE 264 CO -0.01 0.13 0.55 0.00 0.00 0.00 0.00 178.15 178.82 1piy h ALA 265 N 1.18 1.27 -0.05 1.87 0.00 -0.79 0.56 119.26 123.30 1piy h ALA 265 Ca 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1piy h ALA 265 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1piy h ALA 265 CO -0.04 0.24 -0.10 1.49 0.00 0.00 0.00 179.25 180.85 1piy h GLU 266 N 0.96 0.16 -0.23 0.00 4.57 -1.16 -2.74 114.58 116.12 1piy h GLU 266 Ca 0.41 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1piy h GLU 266 Cb 0.28 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1piy h GLU 266 CO -0.21 0.68 -0.01 0.93 -1.18 0.00 0.00 179.01 179.21 1piy h GLU 267 N -0.35 0.34 -0.65 1.92 5.08 -0.76 -2.70 114.58 117.46 1piy h GLU 267 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1piy h GLU 267 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1piy h GLU 267 CO 0.02 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1piy h LYS 269 N 3.80 0.53 -0.18 0.00 3.11 -1.16 0.43 116.57 123.10 1piy h LYS 269 Ca 0.00 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.67 1piy h LYS 269 Cb 0.99 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1piy h LYS 269 CO 0.05 0.35 -0.47 0.37 -2.81 0.00 0.00 179.45 176.95 1piy h GLN 270 N 0.55 0.47 -0.45 1.90 5.75 -1.84 -1.82 115.11 119.67 1piy h GLN 270 Ca 0.65 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.79 1piy h GLN 270 Cb 1.29 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.84 1piy h GLN 270 CO -0.48 0.84 -0.12 0.93 -2.65 0.00 0.00 178.83 177.35 1piy h GLU 271 N 0.38 0.82 -0.06 1.69 4.39 -1.28 0.24 114.58 120.76 1piy h GLU 271 Ca 0.02 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1piy h GLU 271 Cb 0.96 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1piy h GLU 271 CO 0.08 0.90 0.04 0.00 -1.16 0.00 0.00 179.01 178.87 1piy h TYR 273 N 0.05 -0.03 -0.69 0.00 3.20 -1.01 -2.77 116.97 115.72 1piy h TYR 273 Ca 0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1piy h TYR 273 Cb 0.03 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1piy h TYR 273 CO -0.06 -0.03 0.40 -0.44 -1.64 0.00 0.00 178.16 176.40 1piy h ASP 274 N 0.03 0.63 0.13 -2.11 3.32 -0.24 -1.89 116.42 116.29 1piy h ASP 274 Ca 0.06 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1piy h ASP 274 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1piy h ASP 274 CO -0.11 0.42 -0.24 0.17 -1.72 0.00 0.00 179.24 177.76 1piy h LEU 275 N 0.76 0.20 -0.22 1.55 8.10 -1.00 0.05 115.31 124.75 1piy h LEU 275 Ca 0.30 -0.05 -0.07 0.00 0.11 0.00 0.00 57.88 58.16 1piy h LEU 275 Cb 0.13 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1piy h LEU 275 CO -0.15 0.45 -0.13 -0.26 -4.11 0.00 0.00 178.44 174.23 1piy h PHE 276 N 0.18 0.55 -0.85 0.17 0.04 -1.16 -0.21 116.94 115.66 1piy h PHE 276 Ca 0.03 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1piy h PHE 276 Cb 0.53 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1piy h PHE 276 CO 0.01 0.77 0.45 0.28 -0.60 0.00 0.00 178.31 179.22 1piy h VAL 277 N 0.17 1.25 -0.32 -0.55 2.07 -0.99 -0.52 116.25 117.35 1piy h VAL 277 Ca 0.04 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1piy h VAL 277 Cb 0.64 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1piy h VAL 277 CO 0.04 0.29 -0.06 1.56 0.02 0.00 0.00 177.57 179.42 1piy h GLN 278 N 1.20 0.60 -0.68 1.57 1.08 -0.86 -1.94 115.11 116.07 1piy h GLN 278 Ca 0.30 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1piy h GLN 278 Cb 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1piy h GLN 278 CO -0.04 0.77 0.26 0.00 -0.95 0.00 0.00 178.83 178.86 1piy h ALA 279 N 0.81 1.17 -0.61 3.87 0.00 -0.72 -1.73 119.26 122.04 1piy h ALA 279 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1piy h ALA 279 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1piy h ALA 279 CO 0.03 0.60 0.14 0.00 0.00 0.00 0.00 179.25 180.01 1piy h ALA 280 N 1.29 0.81 -0.49 0.00 0.00 -0.96 -2.08 119.26 117.83 1piy h ALA 280 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1piy h ALA 280 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1piy h ALA 280 CO -0.02 0.53 0.01 0.37 0.00 0.00 0.00 179.25 180.14 1piy h GLN 281 N 0.90 0.81 -0.55 0.00 5.75 -0.93 -1.76 115.11 119.32 1piy h GLN 281 Ca 0.19 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1piy h GLN 281 Cb 0.37 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1piy h GLN 281 CO 0.00 0.81 0.17 1.96 -2.65 0.00 0.00 178.83 179.12 1piy h GLN 282 N 0.76 0.86 -0.80 1.69 4.20 -1.07 0.30 115.11 121.05 1piy h GLN 282 Ca 0.15 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1piy h GLN 282 Cb 0.45 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 1piy h GLN 282 CO 0.02 0.79 0.38 0.93 -0.67 0.00 0.00 178.83 180.27 1piy h GLU 283 N 0.77 1.16 -0.16 1.46 4.39 -1.06 -2.23 114.58 118.91 1piy h GLU 283 Ca 0.18 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1piy h GLU 283 Cb 0.29 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1piy h GLU 283 CO -0.00 0.90 0.01 0.87 -1.16 0.00 0.00 179.01 179.63 1piy h LYS 284 N 1.14 0.27 -0.55 2.33 1.57 -0.98 -3.02 116.57 117.34 1piy h LYS 284 Ca 0.27 -0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.07 1piy h LYS 284 Cb 0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1piy h LYS 284 CO -0.03 0.47 0.37 -0.44 -0.57 0.00 0.00 179.45 179.26 1piy h ASP 285 N 0.04 0.31 -0.10 0.86 3.45 -0.74 -1.30 116.42 118.93 1piy h ASP 285 Ca 0.05 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.54 1piy h ASP 285 Cb 0.34 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1piy h ASP 285 CO 0.01 0.19 0.10 -0.25 -1.57 0.00 0.00 179.24 177.71 1piy h TRP 286 N 0.34 0.00 -0.62 4.55 2.91 -1.27 -2.62 115.95 119.25 1piy h TRP 286 Ca 0.26 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.28 1piy h TRP 286 Cb 0.55 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 1piy h TRP 286 CO -0.00 0.00 0.41 0.00 -1.03 0.00 0.00 178.44 177.82 1piy h ALA 287 N 1.90 1.55 -0.55 2.65 0.00 -1.33 -0.82 119.26 122.66 1piy h ALA 287 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1piy h ALA 287 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1piy h ALA 287 CO -0.00 0.41 0.37 -0.44 0.00 0.00 0.00 179.25 179.59 1piy h ASP 288 N 0.84 0.43 0.13 0.00 3.32 -1.65 -0.69 116.42 118.80 1piy h ASP 288 Ca 0.23 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.00 1piy h ASP 288 Cb -0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1piy h ASP 288 CO -0.05 0.28 -1.40 0.22 -1.72 0.00 0.00 179.24 176.57 1piy h TYR 289 N 0.49 0.50 -0.73 4.55 3.20 -1.55 -3.06 116.97 120.38 1piy h TYR 289 Ca 0.24 -0.37 0.09 0.00 3.14 0.00 0.00 58.73 61.83 1piy h TYR 289 Cb 0.32 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1piy h TYR 289 CO -0.00 1.55 0.39 1.25 -1.64 0.00 0.00 178.16 179.71 1piy h LEU 290 N -0.24 0.54 -3.47 2.82 6.46 -0.79 -2.55 115.31 118.07 1piy h LEU 290 Ca -0.29 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.47 1piy h LEU 290 Cb 1.81 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 41.66 1piy h LEU 290 CO 0.09 0.32 0.04 0.49 -0.62 0.00 0.00 178.44 178.76 1piy n PHE 291 N -4.81 1.65 0.04 1.25 3.72 -0.30 -4.43 117.46 114.57 1piy n PHE 291 Ca 0.11 -0.92 0.13 0.00 -0.05 0.00 0.00 57.45 56.72 1piy n PHE 291 Cb 0.25 -0.47 0.60 0.00 -0.94 0.00 0.00 39.48 38.93 1piy n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1piy h ARG 292 N 2.73 0.16 -0.46 -1.08 0.11 -1.34 -1.05 114.38 113.45 1piy h ARG 292 Ca 0.06 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1piy h ARG 292 Cb 1.82 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.86 1piy h ARG 292 CO 0.43 0.11 0.00 -0.25 0.10 0.00 0.00 179.97 180.35 1piy n ASP 293 N -4.46 3.56 0.00 0.08 8.00 -1.26 -5.04 116.55 117.43 1piy n ASP 293 Ca 0.06 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1piy n ASP 293 Cb 0.36 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1piy n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1piy n GLY 294 N 1.51 3.82 1.08 0.44 0.00 -0.40 -4.73 105.19 106.91 1piy n GLY 294 Ca 0.20 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1piy n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1piy n SER 295 N 0.00 1.24 -4.34 1.61 3.41 -1.26 -4.58 113.62 109.70 1piy n SER 295 Ca 0.00 -1.51 -0.18 0.00 -0.26 0.00 0.00 58.87 56.92 1piy n SER 295 Cb 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1piy n SER 295 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1piy s MET 296 N -2.66 1.32 0.11 4.33 -1.94 -0.51 -4.99 119.30 114.96 1piy s MET 296 Ca 0.11 -1.61 -0.31 0.00 -1.71 0.00 0.00 55.69 52.17 1piy s MET 296 Cb -0.01 -0.98 -0.09 0.00 2.01 0.00 0.00 34.83 35.75 1piy s MET 296 CO 0.07 0.11 1.67 0.42 -0.01 0.00 0.00 175.02 177.27 1piy s ILE 297 N -3.09 2.80 0.00 2.53 -1.09 -1.26 -1.50 121.20 119.60 1piy s ILE 297 Ca 0.23 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1piy s ILE 297 Cb 0.01 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1piy s ILE 297 CO 0.07 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 1piy n GLY 298 N 3.98 0.88 2.70 6.18 0.00 -1.26 -4.97 105.19 112.71 1piy n GLY 298 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1piy n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1piy s LEU 299 N 0.00 -0.02 0.00 0.99 2.96 -0.56 -4.99 118.68 117.06 1piy s LEU 299 Ca 0.00 -0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1piy s LEU 299 Cb 0.00 0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.98 1piy s LEU 299 CO 0.00 -0.38 0.54 -0.46 -1.32 0.00 0.00 176.35 174.73 1piy n ASN 300 N 5.30 -1.52 -0.22 3.68 0.23 -1.26 -1.42 115.26 120.04 1piy n ASN 300 Ca -0.04 -2.76 -0.01 0.00 -0.53 0.00 0.00 54.58 51.25 1piy n ASN 300 Cb 0.46 2.74 0.11 0.00 -2.08 0.00 0.00 39.78 41.01 1piy n ASN 300 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1piy h LYS 301 N 0.00 0.53 -0.41 -3.83 3.64 -1.98 -0.53 116.57 113.99 1piy h LYS 301 Ca -0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1piy h LYS 301 Cb 1.16 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1piy h LYS 301 CO 0.37 0.35 0.16 -0.44 -2.27 0.00 0.00 179.45 177.62 1piy h ASP 302 N 0.54 0.57 -0.59 4.20 5.19 -1.99 -0.69 116.42 123.65 1piy h ASP 302 Ca 0.31 -0.17 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1piy h ASP 302 Cb 0.30 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1piy h ASP 302 CO -0.24 0.59 0.05 0.40 -3.12 0.00 0.00 179.24 176.92 1piy h ILE 303 N 0.52 1.26 -0.45 0.35 2.04 -1.87 -1.39 117.51 117.98 1piy h ILE 303 Ca 0.14 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1piy h ILE 303 Cb 0.20 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1piy h ILE 303 CO -0.01 0.39 0.21 0.25 0.00 0.00 0.00 178.15 178.99 1piy h LEU 304 N 0.90 0.59 -0.48 1.44 6.46 -0.91 -1.10 115.31 122.21 1piy h LEU 304 Ca 0.17 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1piy h LEU 304 Cb 0.48 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1piy h LEU 304 CO 0.02 0.56 0.19 0.00 -0.62 0.00 0.00 178.44 178.58 1piy h GLN 306 N 0.64 1.10 -0.54 0.00 4.20 -1.04 -1.86 115.11 117.61 1piy h GLN 306 Ca 0.16 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1piy h GLN 306 Cb 0.21 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1piy h GLN 306 CO -0.01 0.73 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.86 1piy h TYR 307 N 1.13 1.14 -0.33 2.96 3.20 -0.83 -0.85 116.97 123.40 1piy h TYR 307 Ca 0.31 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1piy h TYR 307 Cb -0.13 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.84 1piy h TYR 307 CO -0.01 1.05 0.17 0.28 -1.64 0.00 0.00 178.16 178.01 1piy h VAL 308 N 0.89 1.00 -0.77 1.81 2.07 -0.68 -0.45 116.25 120.13 1piy h VAL 308 Ca 0.14 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1piy h VAL 308 Cb 0.67 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1piy h VAL 308 CO 0.05 0.06 0.30 -0.33 0.02 0.00 0.00 177.57 177.67 1piy h GLU 309 N 0.35 1.15 0.36 1.57 5.08 -1.18 -0.35 114.58 121.56 1piy h GLU 309 Ca 0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1piy h GLU 309 Cb 0.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1piy h GLU 309 CO -0.08 0.94 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.76 1piy h TYR 310 N 1.11 -0.50 -0.10 4.33 3.20 -0.63 -2.37 116.97 122.00 1piy h TYR 310 Ca 0.25 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 1piy h TYR 310 Cb 0.23 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1piy h TYR 310 CO 0.02 -0.31 -0.59 0.97 -1.64 0.00 0.00 178.16 176.61 1piy h ILE 311 N -0.51 1.36 -0.66 1.81 6.09 -1.04 -3.03 117.51 121.53 1piy h ILE 311 Ca -0.04 -1.92 -0.02 0.00 -1.37 0.00 0.00 64.86 61.50 1piy h ILE 311 Cb 0.41 1.93 -0.03 0.00 0.47 0.00 0.00 36.82 39.60 1piy h ILE 311 CO 0.06 0.58 0.32 0.74 -3.07 0.00 0.00 178.15 176.77 1piy h THR 312 N 0.25 1.22 -0.58 2.19 2.02 -0.99 -0.36 112.91 116.67 1piy h THR 312 Ca -0.00 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1piy h THR 312 Cb 1.11 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1piy h THR 312 CO 0.10 0.26 0.32 0.78 0.37 0.00 0.00 175.52 177.35 1piy h ASN 313 N 0.92 0.73 -0.28 4.18 4.21 -1.39 0.26 115.58 124.20 1piy h ASN 313 Ca 0.23 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 1piy h ASN 313 Cb 0.12 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1piy h ASN 313 CO -0.03 0.61 0.17 0.40 -1.29 0.00 0.00 177.43 177.29 1piy h ILE 314 N 0.79 1.10 -0.41 2.81 2.04 -1.33 -1.01 117.51 121.49 1piy h ILE 314 Ca 0.20 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 1piy h ILE 314 Cb 0.04 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1piy h ILE 314 CO -0.03 0.09 -0.22 0.03 0.00 0.00 0.00 178.15 178.02 1piy h ARG 315 N 0.36 0.82 -0.41 2.37 2.47 -0.79 -2.29 114.38 116.91 1piy h ARG 315 Ca 0.10 -0.33 -0.14 0.00 -1.26 0.00 0.00 59.98 58.35 1piy h ARG 315 Cb 0.00 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1piy h ARG 315 CO -0.02 0.96 -0.30 0.52 0.56 0.00 0.00 179.97 181.69 1piy h MET 316 N 0.71 0.91 -0.68 0.04 2.86 -0.82 -2.74 114.93 115.22 1piy h MET 316 Ca 0.10 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1piy h MET 316 Cb 0.74 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1piy h MET 316 CO 0.06 1.08 0.41 0.37 1.06 0.00 0.00 176.91 179.90 1piy h GLN 317 N 0.77 0.91 0.00 1.72 5.75 -1.07 -0.83 115.11 122.35 1piy h GLN 317 Ca 0.08 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1piy h GLN 317 Cb 0.87 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.23 1piy h GLN 317 CO 0.08 0.63 -0.05 0.00 -2.65 0.00 0.00 178.83 176.84 1piy h ALA 318 N 1.53 1.21 -0.16 3.38 0.00 -1.09 -2.43 119.26 121.69 1piy h ALA 318 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1piy h ALA 318 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1piy h ALA 318 CO -0.05 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1piy n VAL 319 N -3.44 2.03 -0.96 0.00 0.24 -0.88 -4.99 118.33 110.33 1piy n VAL 319 Ca -0.02 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.34 1piy n VAL 319 Cb 0.17 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.79 0.43 3.92 7.63 0.00 -0.92 -4.96 105.19 110.50 1piy n GLY 320 Ca 0.18 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 4.30 0.79 0.99 1.43 -0.37 -5.01 118.68 120.82 1piy s LEU 321 Ca 0.00 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 1piy s LEU 321 Cb 0.00 -3.11 0.08 0.00 0.03 0.00 0.00 46.19 43.18 1piy s LEU 321 CO 0.00 0.08 1.16 -1.81 0.23 0.00 0.00 176.35 176.00 1piy s ASP 322 N -2.68 3.90 -0.22 2.29 1.01 -1.26 -4.01 116.67 115.70 1piy s ASP 322 Ca 0.38 2.17 -0.18 0.00 0.71 0.00 0.00 52.55 55.63 1piy s ASP 322 Cb -0.12 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1piy s ASP 322 CO 0.27 -2.45 0.49 -0.76 0.21 0.00 0.00 175.17 172.93 1piy s LEU 323 N -5.77 4.12 0.30 1.23 1.43 -1.26 -4.83 118.68 113.90 1piy s LEU 323 Ca 0.69 0.59 0.18 0.00 -1.03 0.00 0.00 54.13 54.55 1piy s LEU 323 Cb -0.24 -2.65 0.12 0.00 0.03 0.00 0.00 46.19 43.45 1piy s LEU 323 CO 0.51 -0.19 1.42 1.55 0.23 0.00 0.00 176.35 179.87 1piy h PRO 324 N 7.63 0.00 -6.18 1.29 0.13 -1.94 -3.47 132.00 129.45 1piy h PRO 324 Ca -0.33 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 1piy h PRO 324 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1piy h PRO 324 CO 0.73 0.32 -0.48 -0.06 -0.23 0.00 0.00 178.00 178.27 1piy s PHE 325 N -3.05 3.30 0.37 1.56 0.08 -1.26 -5.07 117.98 113.91 1piy s PHE 325 Ca 0.04 -0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.77 1piy s PHE 325 Cb 0.07 -1.51 -0.11 0.00 -0.57 0.00 0.00 43.02 40.90 1piy s PHE 325 CO 0.73 0.48 1.47 1.21 -0.10 0.00 0.00 175.22 179.02 1piy s ASN 326 N -3.79 6.39 0.40 1.36 2.47 -1.26 -4.94 114.94 115.57 1piy s ASN 326 Ca 0.33 3.01 -0.24 0.00 0.42 0.00 0.00 52.86 56.38 1piy s ASN 326 Cb -0.09 -2.67 -0.09 0.00 -1.45 0.00 0.00 41.25 36.96 1piy s ASN 326 CO 0.27 -0.84 1.10 0.42 -3.72 0.00 0.00 177.10 174.33 1piy s THR 327 N -1.10 3.46 0.21 -5.21 -4.23 -1.26 -4.89 115.64 102.62 1piy s THR 327 Ca 0.53 1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 61.99 1piy s THR 327 Cb -0.46 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 69.80 1piy s THR 327 CO 0.62 0.05 0.62 0.00 -0.54 0.00 0.00 174.62 175.36 1piy s ARG 328 N -2.41 1.46 0.62 3.99 1.70 -1.26 -5.15 118.95 117.90 1piy s ARG 328 Ca 0.58 -0.73 -0.07 0.00 -0.47 0.00 0.00 55.73 55.03 1piy s ARG 328 Cb -0.26 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1piy s ARG 328 CO 0.32 -0.65 0.95 -1.12 -1.08 0.00 0.00 175.30 173.73 1piy s SER 329 N -2.83 5.56 -0.04 -2.89 0.01 -1.26 -4.96 113.70 107.28 1piy s SER 329 Ca 0.06 0.83 -0.32 0.00 1.31 0.00 0.00 55.95 57.83 1piy s SER 329 Cb -0.03 -1.78 -0.11 0.00 0.21 0.00 0.00 66.02 64.32 1piy s SER 329 CO -0.04 -1.13 1.93 -3.20 0.41 0.00 0.00 173.24 171.20 1piy n ASN 330 N -2.70 3.75 0.16 2.44 2.85 -1.26 -4.85 115.26 115.65 1piy n ASN 330 Ca 0.05 0.94 0.13 0.00 -0.11 0.00 0.00 54.58 55.59 1piy n ASN 330 Cb 0.57 -1.43 0.45 0.00 1.24 0.00 0.00 39.78 40.61 1piy n ASN 330 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1piy h PRO 331 N 9.83 0.00 -2.06 1.20 0.13 -1.93 -3.34 132.00 135.84 1piy h PRO 331 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1piy h PRO 331 Cb 1.26 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 1piy h PRO 331 CO 0.95 0.00 -1.03 0.44 -0.23 0.00 0.00 178.00 178.12 1piy n ILE 332 N -2.52 0.39 0.28 -3.56 -5.35 -1.26 -4.95 119.36 102.38 1piy n ILE 332 Ca 0.03 -4.62 0.16 0.00 -0.27 0.00 0.00 62.75 58.05 1piy n ILE 332 Cb 0.35 -1.11 0.78 0.00 -1.74 0.00 0.00 39.64 37.93 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 3.41 0.00 0.00 6.28 0.13 -1.98 -0.53 132.00 139.31 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 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1piy h PRO 333 CO 0.57 0.00 -0.00 0.11 -0.23 0.00 0.00 178.00 178.44 1piy h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.95 -2.37 115.95 118.27 1piy h TRP 334 Ca 0.05 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.97 1piy h TRP 334 Cb 0.80 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.95 1piy h TRP 334 CO 0.00 0.00 -0.20 -0.84 -1.28 0.00 0.00 178.44 176.12 1piy h ILE 335 N 0.00 1.08 -0.88 0.12 3.07 -1.51 -3.09 117.51 116.29 1piy h ILE 335 Ca -0.00 -0.71 0.14 0.00 1.55 0.00 0.00 64.86 65.84 1piy h ILE 335 Cb 0.22 1.39 -0.09 0.00 -0.27 0.00 0.00 36.82 38.07 1piy h ILE 335 CO 0.00 0.20 0.49 0.78 -1.05 0.00 0.00 178.15 178.57 1piy h ASN 336 N 0.00 0.64 0.34 2.16 2.35 -1.64 -0.65 115.58 118.79 1piy h ASN 336 Ca -0.00 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1piy h ASN 336 Cb 0.38 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1piy h ASN 336 CO 0.03 0.29 0.00 0.71 -1.65 0.00 0.00 177.43 176.81 1piy h THR 337 N 0.72 0.00 0.00 2.81 1.35 -1.75 -2.41 112.91 113.62 1piy h THR 337 Ca 0.47 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1piy h THR 337 Cb 0.61 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1piy h THR 337 CO -0.33 0.00 -1.65 0.79 -0.25 0.00 0.00 175.52 174.08 1piy n TRP 338 N -2.90 0.33 -3.67 4.73 7.02 -0.28 -4.89 117.44 117.77 1piy n TRP 338 Ca -0.01 0.10 -0.36 0.00 -1.02 0.00 0.00 57.50 56.20 1piy n TRP 338 Cb 0.14 -0.65 -0.09 0.00 -2.42 0.00 0.00 31.31 28.30 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 -4.78 4.17 0.00 -0.99 2.01 -0.91 -4.76 118.68 113.42 1piy s LEU 339 Ca -0.05 0.21 0.00 0.00 0.01 0.00 0.00 54.13 54.30 1piy s LEU 339 Cb 0.13 -2.14 0.00 0.00 0.01 0.00 0.00 46.19 44.19 1piy s LEU 339 CO 0.87 0.12 0.00 0.52 1.01 0.00 0.00 176.35 178.86