#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2piy s HIS 7 N 0.00 3.86 -0.00 1.61 2.46 -1.26 -5.05 115.29 116.90 2piy s HIS 7 Ca 0.00 1.83 0.02 0.00 0.47 0.00 0.00 55.06 57.38 2piy s HIS 7 Cb 0.00 -3.07 -0.00 0.00 -0.13 0.00 0.00 32.58 29.38 2piy s HIS 7 CO 0.00 0.16 -0.05 0.45 -2.47 0.00 0.00 174.74 172.83 2piy s SER 8 N -0.76 0.63 0.19 9.88 0.15 -1.26 -5.04 113.70 117.49 2piy s SER 8 Ca 0.44 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 57.24 2piy s SER 8 Cb -0.26 -0.07 0.88 0.00 -1.71 0.00 0.00 66.02 64.85 2piy s SER 8 CO 0.33 0.06 1.79 -1.22 1.20 0.00 0.00 173.24 175.39 2piy n TYR 9 N 2.90 0.80 -1.17 3.44 4.01 -1.26 -3.14 117.16 122.75 2piy n TYR 9 Ca -0.13 0.24 0.02 0.00 -0.16 0.00 0.00 57.90 57.87 2piy n TYR 9 Cb 0.58 -0.89 0.24 0.00 -0.31 0.00 0.00 39.34 38.96 2piy n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2piy n GLU 10 N -2.16 2.60 -4.18 -0.72 1.02 -1.26 -4.80 120.64 111.13 2piy n GLU 10 Ca 0.05 -2.99 -0.13 0.00 -0.02 0.00 0.00 57.16 54.07 2piy n GLU 10 Cb 0.40 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 2piy n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2piy s LYS 11 N -3.01 0.87 -0.03 3.49 1.02 -1.19 -4.77 119.74 116.13 2piy s LYS 11 Ca 0.45 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 2piy s LYS 11 Cb 0.38 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 2piy s LYS 11 CO 0.06 0.04 0.99 0.71 -0.92 0.00 0.00 175.35 176.24 2piy s TYR 12 N -3.02 3.61 -0.09 3.18 2.02 -1.26 -4.75 117.35 117.05 2piy s TYR 12 Ca 0.09 1.66 -0.02 0.00 -0.37 0.00 0.00 57.07 58.44 2piy s TYR 12 Cb 0.01 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.39 2piy s TYR 12 CO -0.02 -0.09 -0.01 -0.80 -1.57 0.00 0.00 175.55 173.07 2piy s ASN 13 N 1.04 5.17 0.95 2.29 0.01 -1.26 -5.02 114.94 118.11 2piy s ASN 13 Ca 0.51 0.12 -0.13 0.00 -0.71 0.00 0.00 52.86 52.65 2piy s ASN 13 Cb -0.20 -1.46 0.16 0.00 0.41 0.00 0.00 41.25 40.16 2piy s ASN 13 CO 0.25 0.37 1.13 0.54 -1.51 0.00 0.00 177.10 177.88 2piy s ASN 14 N -0.83 3.16 0.21 -1.22 2.20 -1.26 -4.71 114.94 112.48 2piy s ASN 14 Ca 0.13 0.96 -0.09 0.00 -0.94 0.00 0.00 52.86 52.92 2piy s ASN 14 Cb -0.11 -1.52 0.15 0.00 -2.00 0.00 0.00 41.25 37.76 2piy s ASN 14 CO 0.02 -2.77 1.81 -0.25 -2.94 0.00 0.00 177.10 172.97 2piy h TRP 15 N -1.65 1.08 -0.94 1.54 2.91 -1.96 -0.41 115.95 116.52 2piy h TRP 15 Ca -0.51 -0.04 0.07 0.00 1.13 0.00 0.00 58.89 59.54 2piy h TRP 15 Cb 1.33 -0.34 -0.06 0.00 -0.51 0.00 0.00 29.16 29.58 2piy h TRP 15 CO 0.12 0.78 0.61 1.49 -1.03 0.00 0.00 178.44 180.41 2piy h GLU 16 N 1.06 1.03 -0.17 2.65 4.81 -1.99 0.24 114.58 122.21 2piy h GLU 16 Ca 0.26 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2piy h GLU 16 Cb 0.09 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.25 2piy h GLU 16 CO -0.04 0.68 -0.64 1.15 -0.73 0.00 0.00 179.01 179.43 2piy h THR 17 N 1.06 1.30 -0.42 0.32 2.02 -1.70 -1.78 112.91 113.71 2piy h THR 17 Ca 0.41 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 2piy h THR 17 Cb 0.23 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2piy h THR 17 CO -0.17 0.59 0.17 0.40 0.37 0.00 0.00 175.52 176.88 2piy h ILE 18 N 0.45 1.20 -0.27 3.11 2.04 -0.53 -0.26 117.51 123.24 2piy h ILE 18 Ca -0.03 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.25 2piy h ILE 18 Cb 1.27 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2piy h ILE 18 CO 0.14 0.22 0.05 -0.08 0.00 0.00 0.00 178.15 178.48 2piy h GLU 19 N 0.53 0.15 -0.27 2.37 4.81 -0.52 -0.17 114.58 121.48 2piy h GLU 19 Ca 0.14 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2piy h GLU 19 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2piy h GLU 19 CO -0.01 0.10 0.05 0.00 -0.73 0.00 0.00 179.01 178.41 2piy h ALA 20 N 1.20 1.59 -0.48 2.92 0.00 -1.15 -2.21 119.26 121.12 2piy h ALA 20 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2piy h ALA 20 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2piy h ALA 20 CO -0.17 0.31 -0.16 2.35 0.00 0.00 0.00 179.25 181.58 2piy h TRP 21 N 0.38 1.06 -0.48 0.00 7.01 -0.03 -1.65 115.95 122.24 2piy h TRP 21 Ca 0.09 -0.23 -0.02 0.00 2.11 0.00 0.00 58.89 60.84 2piy h TRP 21 Cb 0.18 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2piy h TRP 21 CO 0.00 1.02 0.22 1.79 -2.79 0.00 0.00 178.44 178.69 2piy h THR 22 N 0.83 1.17 -0.09 2.65 1.35 -0.44 0.03 112.91 118.41 2piy h THR 22 Ca 0.12 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.44 2piy h THR 22 Cb 0.71 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2piy h THR 22 CO 0.05 0.20 -0.17 0.50 -0.25 0.00 0.00 175.52 175.85 2piy h LYS 23 N 0.67 0.26 -0.02 4.72 1.63 -1.31 -2.95 116.57 119.58 2piy h LYS 23 Ca 0.17 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2piy h LYS 23 Cb 0.09 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2piy h LYS 23 CO -0.02 0.76 0.01 0.37 -3.45 0.00 0.00 179.45 177.12 2piy h GLN 24 N -0.20 0.02 -0.06 1.90 5.75 -0.90 0.02 115.11 121.63 2piy h GLN 24 Ca 0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2piy h GLN 24 Cb 0.75 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2piy h GLN 24 CO 0.04 0.18 -0.30 -0.24 -2.65 0.00 0.00 178.83 175.86 2piy h VAL 25 N -0.13 1.24 -0.10 2.39 3.04 -1.12 -0.71 116.25 120.85 2piy h VAL 25 Ca 0.01 -1.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.49 2piy h VAL 25 Cb 0.16 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2piy h VAL 25 CO -0.00 0.33 -0.19 0.74 -1.01 0.00 0.00 177.57 177.44 2piy h THR 26 N 0.11 1.39 -0.21 3.17 2.02 -1.35 -2.81 112.91 115.23 2piy h THR 26 Ca 0.01 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 2piy h THR 26 Cb 0.58 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2piy h THR 26 CO 0.04 0.42 0.07 0.28 0.37 0.00 0.00 175.52 176.70 2piy h SER 27 N -0.12 0.26 1.20 4.18 0.02 -0.58 -1.80 113.55 116.71 2piy h SER 27 Ca 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2piy h SER 27 Cb 0.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2piy h SER 27 CO 0.04 0.25 -0.09 -0.62 -1.14 0.00 0.00 176.83 175.28 2piy n GLU 28 N -4.43 0.16 -2.80 3.45 1.02 -0.31 -4.28 120.64 113.45 2piy n GLU 28 Ca 0.00 0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 2piy n GLU 28 Cb 0.13 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2piy n GLU 28 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2piy n ASN 29 N -1.95 0.85 0.31 1.62 3.02 -0.71 -4.93 115.26 113.47 2piy n ASN 29 Ca 0.06 -2.80 0.20 0.00 -0.03 0.00 0.00 54.58 52.01 2piy n ASN 29 Cb 0.40 -0.32 0.99 0.00 -0.61 0.00 0.00 39.78 40.23 2piy n ASN 29 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2piy h PRO 30 N 2.91 0.00 -0.00 3.52 0.11 -1.66 0.12 132.00 137.01 2piy h PRO 30 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2piy h PRO 30 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2piy h PRO 30 CO 0.44 0.01 -0.03 -0.40 -0.21 0.00 0.00 178.00 177.81 2piy n ASP 31 N -3.15 0.05 0.00 -2.05 3.85 -1.26 -4.02 116.55 109.96 2piy n ASP 31 Ca -0.02 0.12 0.00 0.00 -0.71 0.00 0.00 54.79 54.19 2piy n ASP 31 Cb 0.17 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 2piy n ASP 31 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2piy n LEU 32 N -1.37 0.00 -3.96 -2.12 4.77 -0.41 -4.49 117.00 109.42 2piy n LEU 32 Ca 0.11 -0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 2piy n LEU 32 Cb 0.29 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 2piy n LEU 32 CO 0.25 0.00 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.25 2piy s ILE 33 N -0.76 0.82 -0.04 -0.08 1.01 0.30 -0.33 121.20 122.12 2piy s ILE 33 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2piy s ILE 33 Cb 0.00 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 2piy s ILE 33 CO 0.00 0.28 -0.26 -0.94 0.00 0.00 0.00 174.94 174.03 2piy s SER 34 N 0.73 3.06 -0.14 3.58 1.04 -0.76 -4.35 113.70 116.85 2piy s SER 34 Ca -0.12 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 2piy s SER 34 Cb -0.15 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 2piy s SER 34 CO 0.02 0.29 -0.03 -0.60 0.98 0.00 0.00 173.24 173.90 2piy s ARG 35 N -0.42 3.50 0.29 4.02 3.52 -1.26 -0.87 118.95 127.72 2piy s ARG 35 Ca 0.04 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 2piy s ARG 35 Cb -0.12 -2.88 -0.06 0.00 -1.56 0.00 0.00 34.95 30.33 2piy s ARG 35 CO 0.01 0.36 0.05 0.95 -0.81 0.00 0.00 175.30 175.86 2piy s THR 36 N 0.05 1.01 -0.09 4.11 -4.23 -0.66 -5.00 115.64 110.83 2piy s THR 36 Ca 0.01 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2piy s THR 36 Cb -0.13 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 2piy s THR 36 CO 0.02 -0.07 -0.06 0.00 -0.54 0.00 0.00 174.62 173.97 2piy s ALA 37 N -3.43 2.96 -2.38 3.99 0.00 -1.26 -0.51 121.76 121.13 2piy s ALA 37 Ca 0.35 -0.87 0.21 0.00 0.00 0.00 0.00 51.96 51.65 2piy s ALA 37 Cb 0.08 -1.31 0.31 0.00 0.00 0.00 0.00 23.12 22.20 2piy s ALA 37 CO 0.14 0.46 1.29 0.44 0.00 0.00 0.00 175.76 178.09 2piy n ILE 38 N 2.63 0.34 -2.90 0.00 -5.35 -0.33 -4.95 119.36 108.80 2piy n ILE 38 Ca -0.18 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 2piy n ILE 38 Cb 0.53 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 2piy n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2piy n GLY 39 N 1.30 -1.76 3.36 3.28 0.00 -1.26 -4.79 105.19 105.32 2piy n GLY 39 Ca 0.16 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2piy n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2piy s THR 40 N -2.74 2.07 0.92 2.61 -4.23 -1.26 -1.44 115.64 111.57 2piy s THR 40 Ca 0.00 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 2piy s THR 40 Cb 0.00 -1.91 0.17 0.00 1.34 0.00 0.00 72.50 72.10 2piy s THR 40 CO 0.00 -0.11 1.28 0.42 -0.54 0.00 0.00 174.62 175.67 2piy s THR 41 N -1.52 2.00 0.32 3.99 -4.23 0.05 -4.55 115.64 111.71 2piy s THR 41 Ca 0.15 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2piy s THR 41 Cb -0.08 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.06 2piy s THR 41 CO 0.07 0.00 1.88 0.15 -0.54 0.00 0.00 174.62 176.18 2piy h PHE 42 N -1.47 0.96 -0.54 3.99 3.57 -1.96 -1.29 116.94 120.21 2piy h PHE 42 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2piy h PHE 42 Cb 1.26 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2piy h PHE 42 CO -0.76 0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.01 2piy n LEU 43 N -4.55 2.92 0.00 0.59 4.77 -1.26 -4.93 117.00 114.54 2piy n LEU 43 Ca 0.16 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2piy n LEU 43 Cb 0.35 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2piy n LEU 43 CO 0.30 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2piy n GLY 44 N 1.37 0.71 3.85 -0.72 0.00 -0.48 -5.07 105.19 104.85 2piy n GLY 44 Ca 0.18 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2piy n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2piy s ASN 45 N -2.27 6.66 -0.13 1.61 0.01 -1.26 -4.73 114.94 114.83 2piy s ASN 45 Ca 0.00 1.41 -0.25 0.00 -0.71 0.00 0.00 52.86 53.31 2piy s ASN 45 Cb 0.00 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 2piy s ASN 45 CO 0.00 -0.43 0.78 0.20 -1.51 0.00 0.00 177.10 176.14 2piy s ASN 46 N -2.83 6.96 -0.77 -1.22 0.02 -1.26 -0.77 114.94 115.06 2piy s ASN 46 Ca 0.56 1.17 -0.21 0.00 -1.02 0.00 0.00 52.86 53.36 2piy s ASN 46 Cb -0.10 -2.44 0.09 0.00 0.02 0.00 0.00 41.25 38.83 2piy s ASN 46 CO 0.26 -0.29 1.04 -0.63 0.02 0.00 0.00 177.10 177.49 2piy s ILE 47 N 1.66 4.48 0.36 0.60 1.01 -0.52 -4.95 121.20 123.83 2piy s ILE 47 Ca 0.38 -0.87 -0.25 0.00 0.00 0.00 0.00 60.65 59.91 2piy s ILE 47 Cb -0.17 -4.73 -0.10 0.00 0.01 0.00 0.00 42.46 37.47 2piy s ILE 47 CO 0.15 -1.49 0.97 -0.31 0.00 0.00 0.00 174.94 174.26 2piy s TYR 48 N 3.53 3.54 -0.05 3.97 2.02 -1.26 -1.19 117.35 127.91 2piy s TYR 48 Ca 0.27 1.73 0.02 0.00 -0.37 0.00 0.00 57.07 58.72 2piy s TYR 48 Cb -0.12 -2.95 0.01 0.00 -0.40 0.00 0.00 41.96 38.50 2piy s TYR 48 CO 0.02 -0.02 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.70 2piy s LEU 49 N -2.36 1.64 -0.23 -1.29 2.96 0.33 -4.15 118.68 115.60 2piy s LEU 49 Ca 0.54 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.12 2piy s LEU 49 Cb -0.18 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 2piy s LEU 49 CO 0.23 0.04 0.04 -0.76 -1.32 0.00 0.00 176.35 174.57 2piy s LEU 50 N 0.58 3.34 -0.44 -0.68 1.43 0.51 -1.65 118.68 121.77 2piy s LEU 50 Ca -0.12 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 2piy s LEU 50 Cb -0.14 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2piy s LEU 50 CO 0.03 0.00 0.52 -0.75 0.23 0.00 0.00 176.35 176.38 2piy s LYS 51 N 1.38 3.14 -0.21 1.70 2.20 -0.05 0.01 119.74 127.90 2piy s LYS 51 Ca 0.05 -0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 54.87 2piy s LYS 51 Cb -0.15 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 2piy s LYS 51 CO 0.02 -0.97 0.04 0.08 -0.36 0.00 0.00 175.35 174.16 2piy s VAL 52 N 2.37 4.26 0.00 4.02 1.01 0.14 -1.84 120.40 130.36 2piy s VAL 52 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2piy s VAL 52 Cb -0.17 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2piy s VAL 52 CO 0.14 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2piy n GLY 53 N 4.28 3.11 3.62 4.51 0.00 0.55 -0.15 105.19 121.12 2piy n GLY 53 Ca -0.17 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2piy n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2piy s LYS 54 N -2.13 3.99 0.34 1.61 2.47 -0.00 -4.34 119.74 121.68 2piy s LYS 54 Ca 0.00 0.83 -0.28 0.00 -1.56 0.00 0.00 55.97 54.96 2piy s LYS 54 Cb 0.00 -3.74 -0.12 0.00 -1.46 0.00 0.00 37.83 32.50 2piy s LYS 54 CO 0.00 -0.83 1.25 -2.30 0.16 0.00 0.00 175.35 173.63 2piy n PRO 55 N 6.63 2.02 -3.66 4.03 -0.02 -1.26 -4.80 135.00 137.94 2piy n PRO 55 Ca 0.08 0.71 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2piy n PRO 55 Cb 0.48 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2piy n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2piy s GLY 56 N -0.35 -0.33 0.32 -1.23 0.00 -1.26 -5.14 107.32 99.33 2piy s GLY 56 Ca 0.56 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 45.58 2piy s GLY 56 CO 0.62 0.13 1.07 2.56 0.00 0.00 0.00 173.10 177.48 2piy s PRO 57 N -2.85 4.48 -1.55 2.90 0.04 -1.26 -4.24 135.00 132.52 2piy s PRO 57 Ca 0.12 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 2piy s PRO 57 Cb 0.01 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.63 2piy s PRO 57 CO -0.02 0.11 0.21 0.27 0.04 0.00 0.00 177.00 177.60 2piy n ASN 58 N 0.74 0.16 -4.76 6.66 6.94 -1.26 -4.92 115.26 118.82 2piy n ASN 58 Ca 0.01 -1.19 -0.40 0.00 -0.02 0.00 0.00 54.58 52.99 2piy n ASN 58 Cb 0.47 -2.06 -0.05 0.00 -2.36 0.00 0.00 39.78 35.77 2piy n ASN 58 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2piy s LYS 59 N -7.12 4.57 0.92 -3.83 1.02 -1.26 -5.07 119.74 108.97 2piy s LYS 59 Ca 0.11 1.17 -0.12 0.00 0.02 0.00 0.00 55.97 57.15 2piy s LYS 59 Cb -0.06 -3.32 0.14 0.00 -0.52 0.00 0.00 37.83 34.07 2piy s LYS 59 CO 0.97 0.40 1.09 -1.25 -0.92 0.00 0.00 175.35 175.65 2piy s PRO 60 N -0.55 1.03 0.04 -1.68 0.04 -1.26 -4.82 135.00 127.80 2piy s PRO 60 Ca 0.39 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 2piy s PRO 60 Cb -0.22 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2piy s PRO 60 CO 0.26 -2.36 0.03 0.00 0.04 0.00 0.00 177.00 174.97 2piy s ALA 61 N -2.98 0.15 -0.08 8.56 0.00 0.44 -1.49 121.76 126.36 2piy s ALA 61 Ca 0.64 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2piy s ALA 61 Cb -0.18 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2piy s ALA 61 CO 0.57 -0.31 -0.22 0.42 0.00 0.00 0.00 175.76 176.22 2piy s ILE 62 N -2.82 2.31 -0.18 0.00 1.01 -0.05 -0.63 121.20 120.85 2piy s ILE 62 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 2piy s ILE 62 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2piy s ILE 62 CO -0.06 0.56 0.01 0.12 0.00 0.00 0.00 174.94 175.57 2piy s PHE 63 N 0.03 3.12 -0.04 3.97 5.36 -0.49 -0.60 117.98 129.33 2piy s PHE 63 Ca -0.08 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 2piy s PHE 63 Cb -0.15 -2.03 0.02 0.00 -0.34 0.00 0.00 43.02 40.51 2piy s PHE 63 CO 0.05 0.00 -0.06 1.41 -1.46 0.00 0.00 175.22 175.16 2piy s MET 64 N 0.49 0.92 0.21 10.12 -2.45 0.61 -0.40 119.30 128.81 2piy s MET 64 Ca -0.00 -0.18 0.10 0.00 -1.25 0.00 0.00 55.69 54.35 2piy s MET 64 Cb -0.14 -0.88 -0.05 0.00 1.25 0.00 0.00 34.83 35.02 2piy s MET 64 CO 0.02 -0.01 -0.19 0.16 1.05 0.00 0.00 175.02 176.04 2piy s ASP 65 N 0.66 3.07 0.22 1.11 1.47 -0.57 -0.84 116.67 121.79 2piy s ASP 65 Ca -0.10 -0.94 0.04 0.00 1.18 0.00 0.00 52.55 52.73 2piy s ASP 65 Cb -0.13 -0.21 -0.05 0.00 -0.34 0.00 0.00 42.92 42.19 2piy s ASP 65 CO 0.01 -0.01 -0.02 0.00 0.68 0.00 0.00 175.17 175.83 2piy n GLY 67 N -0.39 0.07 0.12 0.00 0.00 -1.26 -1.82 105.19 101.90 2piy n GLY 67 Ca -0.06 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 2piy n GLY 67 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2piy h PHE 68 N 0.00 0.11 -3.45 1.61 -1.00 -1.92 -1.23 116.94 111.06 2piy h PHE 68 Ca -0.19 0.01 -0.64 0.00 2.81 0.00 0.00 57.97 59.97 2piy h PHE 68 Cb 1.12 -0.01 -0.21 0.00 3.61 0.00 0.00 35.95 40.46 2piy h PHE 68 CO 0.21 0.04 -0.63 -1.01 -1.61 0.00 0.00 178.31 175.31 2piy s HIS 69 N -6.18 3.10 0.24 -0.55 3.76 -1.26 -4.44 115.29 109.95 2piy s HIS 69 Ca -0.13 -0.30 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 2piy s HIS 69 Cb 0.10 -2.11 0.29 0.00 1.11 0.00 0.00 32.58 31.97 2piy s HIS 69 CO 0.69 -0.15 1.87 0.00 -0.85 0.00 0.00 174.74 176.30 2piy h ALA 70 N 7.42 1.17 -0.00 -1.40 0.00 -1.55 -2.26 119.26 122.63 2piy h ALA 70 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2piy h ALA 70 Cb 1.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2piy h ALA 70 CO 0.62 0.38 -0.01 2.89 0.00 0.00 0.00 179.25 183.13 2piy n ARG 71 N -4.56 0.26 -2.03 0.00 1.85 -0.71 -4.40 116.66 107.07 2piy n ARG 71 Ca 0.11 -0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.54 2piy n ARG 71 Cb 0.11 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.02 2piy n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2piy n GLU 72 N -1.36 3.83 0.27 2.89 1.02 -0.85 -4.79 120.64 121.65 2piy n GLU 72 Ca 0.11 -3.23 0.12 0.00 -0.02 0.00 0.00 57.16 54.14 2piy n GLU 72 Cb 0.28 -2.87 0.77 0.00 -0.02 0.00 0.00 31.44 29.61 2piy n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2piy h TRP 73 N 5.34 0.00 0.00 -0.32 4.06 -1.78 -0.76 115.95 122.49 2piy h TRP 73 Ca 0.57 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.47 2piy h TRP 73 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2piy h TRP 73 CO 1.46 0.06 -0.21 0.97 -3.56 0.00 0.00 178.44 177.15 2piy h ILE 74 N 0.00 0.63 0.48 1.49 6.09 -1.87 -2.45 117.51 121.89 2piy h ILE 74 Ca -0.00 -0.96 -0.02 0.00 -1.37 0.00 0.00 64.86 62.50 2piy h ILE 74 Cb 0.13 1.62 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2piy h ILE 74 CO 0.01 0.21 -0.23 -1.28 -3.07 0.00 0.00 178.15 173.78 2piy h SER 75 N 0.00 -0.55 -0.79 2.19 0.87 -1.43 -1.29 113.55 112.56 2piy h SER 75 Ca -0.00 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2piy h SER 75 Cb 0.61 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.65 2piy h SER 75 CO 0.03 -0.38 0.47 0.45 -0.53 0.00 0.00 176.83 176.87 2piy h HIS 76 N -0.67 0.86 -0.67 2.24 3.86 -1.61 -1.36 115.15 117.80 2piy h HIS 76 Ca -0.07 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2piy h HIS 76 Cb 0.51 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2piy h HIS 76 CO -0.04 0.41 0.40 0.00 0.86 0.00 0.00 177.93 179.57 2piy h ALA 77 N 1.39 1.46 -0.40 2.45 0.00 -1.23 -2.85 119.26 120.07 2piy h ALA 77 Ca 0.35 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2piy h ALA 77 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2piy h ALA 77 CO -0.19 0.47 -0.16 0.35 0.00 0.00 0.00 179.25 179.73 2piy h PHE 78 N 0.91 0.94 -0.75 0.00 3.57 -0.07 -1.82 116.94 119.72 2piy h PHE 78 Ca 0.24 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2piy h PHE 78 Cb -0.04 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 2piy h PHE 78 CO 0.00 0.97 0.49 0.00 -2.23 0.00 0.00 178.31 177.55 2piy h GLN 80 N 0.91 0.45 -0.68 0.00 4.20 -1.42 -2.80 115.11 115.77 2piy h GLN 80 Ca 0.30 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.91 2piy h GLN 80 Cb 0.05 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 2piy h GLN 80 CO -0.09 0.69 0.36 2.35 -0.67 0.00 0.00 178.83 181.47 2piy h TRP 81 N 0.18 0.64 -0.57 2.96 2.91 -0.63 -2.56 115.95 118.88 2piy h TRP 81 Ca 0.06 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 2piy h TRP 81 Cb 0.53 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 2piy h TRP 81 CO 0.05 0.27 0.36 0.35 -1.03 0.00 0.00 178.44 178.44 2piy h PHE 82 N 0.63 0.75 -0.68 2.65 3.04 -0.96 -2.22 116.94 120.15 2piy h PHE 82 Ca 0.32 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 2piy h PHE 82 Cb 0.28 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 2piy h PHE 82 CO -0.10 0.50 0.34 0.28 -2.02 0.00 0.00 178.31 177.31 2piy h VAL 83 N 0.78 1.22 -0.30 1.41 2.07 -1.20 -1.18 116.25 119.05 2piy h VAL 83 Ca 0.21 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2piy h VAL 83 Cb -0.04 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2piy h VAL 83 CO -0.04 0.25 0.04 -0.09 0.02 0.00 0.00 177.57 177.76 2piy h ARG 84 N 0.94 0.50 -0.85 1.57 2.43 -1.28 -2.38 114.38 115.31 2piy h ARG 84 Ca 0.23 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2piy h ARG 84 Cb 0.09 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2piy h ARG 84 CO -0.03 0.61 0.53 1.49 -1.51 0.00 0.00 179.97 181.05 2piy h GLU 85 N 0.32 0.96 0.26 0.20 4.57 -1.16 -0.19 114.58 119.54 2piy h GLU 85 Ca 0.09 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2piy h GLU 85 Cb 0.35 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2piy h GLU 85 CO 0.01 0.64 -0.12 0.00 -1.18 0.00 0.00 179.01 178.35 2piy h ALA 86 N 1.38 -0.35 0.00 2.92 0.00 -1.01 -1.97 119.26 120.23 2piy h ALA 86 Ca 0.36 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 2piy h ALA 86 Cb 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2piy h ALA 86 CO -0.15 -0.69 -0.80 -0.39 0.00 0.00 0.00 179.25 177.22 2piy h VAL 87 N -0.36 1.54 -0.02 0.00 -1.51 -1.18 -2.37 116.25 112.36 2piy h VAL 87 Ca -0.04 -2.76 -0.20 0.00 -1.23 0.00 0.00 66.70 62.47 2piy h VAL 87 Cb 0.28 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 2piy h VAL 87 CO 0.06 0.78 -0.86 -0.07 -1.23 0.00 0.00 177.57 176.24 2piy h LEU 88 N 0.00 0.42 -0.17 4.19 3.38 -1.02 -3.30 115.31 118.81 2piy h LEU 88 Ca -0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2piy h LEU 88 Cb 1.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2piy h LEU 88 CO 0.10 1.10 -0.65 0.35 0.09 0.00 0.00 178.44 179.44 2piy n THR 89 N -3.74 0.00 -1.73 0.22 -2.24 -0.75 -4.89 114.28 101.15 2piy n THR 89 Ca -0.05 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2piy n THR 89 Cb 0.79 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 2piy n THR 89 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2piy s TYR 90 N -2.88 2.31 0.00 4.78 5.04 -0.89 -1.30 117.35 124.40 2piy s TYR 90 Ca 0.12 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 2piy s TYR 90 Cb 0.17 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.32 2piy s TYR 90 CO 0.73 -4.70 0.00 0.41 -1.34 0.00 0.00 175.55 170.64 2piy n GLY 91 N 4.17 0.56 1.12 8.97 0.00 -1.26 -4.87 105.19 113.88 2piy n GLY 91 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2piy n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2piy n TYR 92 N -2.00 0.00 -3.23 1.61 4.02 -0.42 -5.00 117.16 112.13 2piy n TYR 92 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 2piy n TYR 92 Cb 0.00 0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.43 2piy n TYR 92 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2piy s GLU 93 N -1.87 4.12 0.29 -0.72 -6.30 -0.61 -4.98 118.70 108.63 2piy s GLU 93 Ca 0.00 0.37 -0.01 0.00 -2.50 0.00 0.00 54.97 52.83 2piy s GLU 93 Cb 0.00 -3.61 0.43 0.00 0.00 0.00 0.00 34.13 30.95 2piy s GLU 93 CO 0.00 -0.26 1.89 0.66 0.02 0.00 0.00 175.26 177.56 2piy h SER 94 N 7.76 0.84 -0.02 -1.70 4.64 -1.95 -1.60 113.55 121.52 2piy h SER 94 Ca -0.31 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2piy h SER 94 Cb 1.15 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2piy h SER 94 CO 0.73 0.72 -0.04 0.45 -0.87 0.00 0.00 176.83 177.82 2piy h HIS 95 N 0.92 0.09 -0.32 4.77 3.86 -1.97 -0.84 115.15 121.66 2piy h HIS 95 Ca 0.22 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2piy h HIS 95 Cb 0.12 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2piy h HIS 95 CO 0.01 0.60 0.11 1.98 0.86 0.00 0.00 177.93 181.50 2piy h MET 96 N -0.45 0.45 -0.29 2.45 -1.53 -1.89 0.16 114.93 113.82 2piy h MET 96 Ca 0.00 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.18 2piy h MET 96 Cb 0.60 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 2piy h MET 96 CO 0.01 0.39 0.09 1.15 0.14 0.00 0.00 176.91 178.69 2piy h THR 97 N 0.45 1.20 -0.70 -0.77 2.02 -1.16 -1.28 112.91 112.67 2piy h THR 97 Ca 0.11 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2piy h THR 97 Cb 0.12 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2piy h THR 97 CO -0.01 0.22 0.33 -0.08 0.37 0.00 0.00 175.52 176.34 2piy h GLU 98 N 0.31 1.01 -0.12 6.66 4.81 -0.45 -1.72 114.58 125.08 2piy h GLU 98 Ca 0.09 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2piy h GLU 98 Cb 0.24 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2piy h GLU 98 CO -0.00 0.80 -0.11 0.74 -0.73 0.00 0.00 179.01 179.70 2piy h PHE 99 N 0.97 -0.28 0.00 0.92 0.05 -0.41 -1.16 116.94 117.03 2piy h PHE 99 Ca 0.24 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.99 2piy h PHE 99 Cb 0.13 0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 2piy h PHE 99 CO 0.01 -0.17 -0.27 -0.07 -0.18 0.00 0.00 178.31 177.62 2piy h LEU 100 N -0.14 0.00 -0.12 1.54 3.38 -1.11 0.13 115.31 119.00 2piy h LEU 100 Ca 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 2piy h LEU 100 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2piy h LEU 100 CO -0.20 0.27 -0.87 0.78 0.09 0.00 0.00 178.44 178.51 2piy h ASN 101 N 0.00 0.92 0.43 -0.43 2.35 -1.06 0.03 115.58 117.83 2piy h ASN 101 Ca -0.00 -0.65 -0.26 0.00 -0.55 0.00 0.00 56.30 54.84 2piy h ASN 101 Cb 0.99 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 2piy h ASN 101 CO 0.04 1.45 -1.77 0.29 -1.65 0.00 0.00 177.43 175.78 2piy n LYS 102 N -3.90 0.64 -4.22 0.81 5.02 -0.46 -4.84 118.16 111.20 2piy n LYS 102 Ca -0.09 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 2piy n LYS 102 Cb 0.79 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 2piy n LYS 102 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2piy s LEU 103 N -5.81 1.36 -0.01 -0.35 0.05 0.02 -4.13 118.68 109.80 2piy s LEU 103 Ca -0.05 -1.36 0.02 0.00 0.05 0.00 0.00 54.13 52.78 2piy s LEU 103 Cb 0.08 0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 44.46 2piy s LEU 103 CO 0.83 -0.79 -0.03 -1.81 -0.55 0.00 0.00 176.35 173.99 2piy s ASP 104 N -3.18 4.89 -0.27 1.48 1.01 -0.56 -4.30 116.67 115.74 2piy s ASP 104 Ca 0.37 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.48 2piy s ASP 104 Cb 0.07 -1.23 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 2piy s ASP 104 CO 0.11 0.30 0.16 -0.36 0.21 0.00 0.00 175.17 175.58 2piy s PHE 105 N -1.00 3.19 -0.35 4.23 0.40 0.79 -0.87 117.98 124.37 2piy s PHE 105 Ca 0.17 -0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.29 2piy s PHE 105 Cb -0.11 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.09 2piy s PHE 105 CO 0.08 -0.19 0.65 0.71 0.70 0.00 0.00 175.22 177.17 2piy s TYR 106 N 1.64 3.15 -0.25 0.36 1.51 0.23 0.24 117.35 124.24 2piy s TYR 106 Ca 0.07 0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 56.48 2piy s TYR 106 Cb -0.16 -3.15 -0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2piy s TYR 106 CO 0.08 -0.62 -0.00 0.08 -1.11 0.00 0.00 175.55 173.98 2piy s VAL 107 N 2.74 3.56 -0.53 0.71 1.01 0.10 -0.28 120.40 127.71 2piy s VAL 107 Ca 0.25 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2piy s VAL 107 Cb -0.14 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.66 2piy s VAL 107 CO 0.15 0.29 0.44 -0.22 0.00 0.00 0.00 175.10 175.76 2piy s LEU 108 N 1.48 5.95 0.24 3.92 0.20 -0.02 -0.36 118.68 130.09 2piy s LEU 108 Ca 0.04 -1.96 -0.04 0.00 0.69 0.00 0.00 54.13 52.87 2piy s LEU 108 Cb -0.15 -2.10 0.26 0.00 -0.43 0.00 0.00 46.19 43.77 2piy s LEU 108 CO -0.01 -0.74 1.72 1.55 -0.29 0.00 0.00 176.35 178.58 2piy h PRO 109 N 8.52 0.85 -2.99 0.98 0.13 -1.86 -1.36 132.00 136.27 2piy h PRO 109 Ca -0.22 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 2piy h PRO 109 Cb 1.08 -0.09 -0.38 0.00 0.13 0.00 0.00 31.00 31.74 2piy h PRO 109 CO 0.92 0.87 -0.68 0.08 -0.23 0.00 0.00 178.00 178.95 2piy s VAL 110 N -4.96 -0.21 -0.11 1.56 1.01 -1.25 -4.19 120.40 112.25 2piy s VAL 110 Ca -0.10 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2piy s VAL 110 Cb 0.14 -0.42 -0.11 0.00 0.00 0.00 0.00 36.38 35.99 2piy s VAL 110 CO 0.82 -0.03 0.34 0.25 0.00 0.00 0.00 175.10 176.48 2piy h LEU 111 N 8.38 -0.01 -6.65 3.92 5.85 -1.41 -3.40 115.31 121.98 2piy h LEU 111 Ca -0.14 -0.41 -0.76 0.00 0.84 0.00 0.00 57.88 57.41 2piy h LEU 111 Cb 1.13 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.00 2piy h LEU 111 CO 0.21 0.69 1.81 -3.20 -0.34 0.00 0.00 178.44 177.62 2piy n ASN 112 N -4.72 5.24 -0.20 1.25 5.15 -0.46 -4.78 115.26 116.73 2piy n ASN 112 Ca -0.04 -3.12 -0.08 0.00 -0.60 0.00 0.00 54.58 50.73 2piy n ASN 112 Cb 0.20 -1.47 0.02 0.00 -0.53 0.00 0.00 39.78 38.00 2piy n ASN 112 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2piy h ILE 113 N 3.81 1.25 -0.43 -1.44 2.04 -1.84 -2.06 117.51 118.85 2piy h ILE 113 Ca 0.37 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2piy h ILE 113 Cb 0.66 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2piy h ILE 113 CO 1.55 0.32 0.17 0.44 0.00 0.00 0.00 178.15 180.63 2piy h ASP 114 N 0.81 0.59 -0.79 1.72 3.32 -1.96 -1.09 116.42 119.02 2piy h ASP 114 Ca 0.18 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2piy h ASP 114 Cb 0.33 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2piy h ASP 114 CO 0.00 0.59 0.31 1.23 -1.72 0.00 0.00 179.24 179.65 2piy h GLY 115 N 0.55 1.27 0.90 2.75 0.00 -1.74 -2.25 103.07 104.55 2piy h GLY 115 Ca 0.14 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.79 2piy h GLY 115 CO -0.01 0.65 0.21 -1.82 0.00 0.00 0.00 176.54 175.57 2piy h TYR 116 N 1.15 0.39 -0.87 5.60 3.20 -0.86 -1.22 116.97 124.36 2piy h TYR 116 Ca 0.26 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.19 2piy h TYR 116 Cb 0.22 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 2piy h TYR 116 CO 0.02 0.22 0.56 0.82 -1.64 0.00 0.00 178.16 178.14 2piy h ILE 117 N 0.42 1.12 -0.42 1.81 2.04 -1.05 -1.69 117.51 119.75 2piy h ILE 117 Ca 0.14 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2piy h ILE 117 Cb 0.01 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 2piy h ILE 117 CO -0.07 0.19 0.17 0.22 0.00 0.00 0.00 178.15 178.66 2piy h TYR 118 N 1.07 0.59 0.00 1.37 3.20 -0.75 -1.18 116.97 121.26 2piy h TYR 118 Ca 0.36 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 2piy h TYR 118 Cb 0.05 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2piy h TYR 118 CO -0.02 0.46 -0.13 1.79 -1.64 0.00 0.00 178.16 178.62 2piy h THR 119 N 0.59 0.32 0.00 1.81 1.35 -0.32 0.64 112.91 117.30 2piy h THR 119 Ca 0.15 -0.90 -0.19 0.00 -0.55 0.00 0.00 66.41 64.92 2piy h THR 119 Cb 0.12 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 2piy h THR 119 CO -0.01 0.13 -1.09 -0.50 -0.25 0.00 0.00 175.52 173.80 2piy h TRP 120 N 0.00 0.00 0.00 4.73 4.06 -0.94 -3.28 115.95 120.53 2piy h TRP 120 Ca -0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 2piy h TRP 120 Cb 0.68 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.80 2piy h TRP 120 CO 0.00 0.79 -1.92 0.25 -3.56 0.00 0.00 178.44 174.00 2piy n THR 121 N -3.17 0.80 0.00 1.49 -2.24 -0.54 -4.92 114.28 105.70 2piy n THR 121 Ca -0.05 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2piy n THR 121 Cb 0.89 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2piy n THR 121 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2piy n LYS 122 N -2.44 0.00 -3.33 -0.78 5.02 0.13 -5.08 118.16 111.69 2piy n LYS 122 Ca -0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 2piy n LYS 122 Cb 0.86 -0.44 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 2piy n LYS 122 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2piy s ASN 123 N -3.74 0.45 0.60 4.39 3.84 -0.70 -5.01 114.94 114.76 2piy s ASN 123 Ca 0.00 -0.19 0.39 0.00 0.21 0.00 0.00 52.86 53.27 2piy s ASN 123 Cb 0.00 1.06 2.04 0.00 -0.55 0.00 0.00 41.25 43.80 2piy s ASN 123 CO 0.00 -0.34 2.20 -0.09 -2.79 0.00 0.00 177.10 176.08 2piy h ARG 124 N 8.18 0.00 -0.62 0.43 9.65 -1.81 -2.27 114.38 127.93 2piy h ARG 124 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2piy h ARG 124 Cb 1.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2piy h ARG 124 CO 0.27 0.00 0.00 -1.33 2.80 0.00 0.00 179.97 181.71 2piy n MET 125 N -2.97 3.20 -2.03 0.20 2.81 -1.26 -4.58 117.12 112.48 2piy n MET 125 Ca -0.02 -2.69 -0.38 0.00 -1.81 0.00 0.00 57.70 52.81 2piy n MET 125 Cb 0.12 -1.68 0.02 0.00 -0.71 0.00 0.00 33.22 30.97 2piy n MET 125 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 2piy s TRP 126 N -1.45 2.58 -0.01 2.03 -0.11 -0.85 -4.85 118.94 116.27 2piy s TRP 126 Ca 0.46 1.46 -0.00 0.00 1.22 0.00 0.00 56.10 59.24 2piy s TRP 126 Cb 0.27 -3.58 -0.00 0.00 -1.50 0.00 0.00 33.47 28.66 2piy s TRP 126 CO 0.26 -2.18 -0.01 -2.13 -4.62 0.00 0.00 176.95 168.27 2piy n ARG 127 N -0.81 0.02 -0.96 5.86 0.63 -1.26 -1.74 116.66 118.40 2piy n ARG 127 Ca 0.09 0.01 -0.14 0.00 -0.92 0.00 0.00 57.85 56.89 2piy n ARG 127 Cb 0.47 -0.63 0.09 0.00 0.45 0.00 0.00 32.46 32.84 2piy n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2piy n LYS 128 N -2.93 -0.54 -0.37 -0.14 5.02 -1.26 -2.06 118.16 115.86 2piy n LYS 128 Ca -0.02 -1.01 -0.08 0.00 -2.02 0.00 0.00 58.31 55.18 2piy n LYS 128 Cb 0.51 -0.62 0.06 0.00 -0.02 0.00 0.00 35.03 34.96 2piy n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2piy n THR 129 N -2.81 0.00 -1.47 -0.18 -2.24 -0.51 -4.36 114.28 102.71 2piy n THR 129 Ca 0.08 -0.18 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 2piy n THR 129 Cb 0.28 -1.41 0.13 0.00 -2.10 0.00 0.00 70.33 67.23 2piy n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2piy n ARG 130 N -2.11 1.10 -2.33 -0.78 5.12 -1.26 -4.04 116.66 112.36 2piy n ARG 130 Ca 0.04 -2.55 -0.33 0.00 -1.93 0.00 0.00 57.85 53.08 2piy n ARG 130 Cb 0.15 -1.28 -0.02 0.00 -1.16 0.00 0.00 32.46 30.15 2piy n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2piy s SER 131 N -2.67 6.18 0.58 0.55 1.04 -1.26 -4.71 113.70 113.41 2piy s SER 131 Ca 0.30 1.82 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 2piy s SER 131 Cb 0.28 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 2piy s SER 131 CO -0.02 -0.89 0.99 0.42 0.98 0.00 0.00 173.24 174.72 2piy s THR 132 N -2.27 4.70 -0.06 2.02 -4.23 -1.26 -0.81 115.64 113.73 2piy s THR 132 Ca 0.64 0.86 0.04 0.00 -1.18 0.00 0.00 61.69 62.06 2piy s THR 132 Cb -0.15 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.85 2piy s THR 132 CO 0.28 -1.02 -0.18 0.20 -0.54 0.00 0.00 174.62 173.36 2piy s ASN 133 N -3.94 2.32 0.25 3.99 0.01 -1.25 -4.84 114.94 111.47 2piy s ASN 133 Ca 0.55 -0.39 -0.30 0.00 -0.71 0.00 0.00 52.86 52.00 2piy s ASN 133 Cb -0.11 -0.78 -0.11 0.00 0.41 0.00 0.00 41.25 40.66 2piy s ASN 133 CO 0.48 0.14 1.54 0.00 -1.51 0.00 0.00 177.10 177.75 2piy s ALA 134 N 0.17 3.72 0.00 0.60 0.00 -1.26 -3.10 121.76 121.90 2piy s ALA 134 Ca -0.08 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2piy s ALA 134 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2piy s ALA 134 CO 0.04 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2piy n GLY 135 N 2.57 0.58 3.30 0.00 0.00 -1.26 -5.00 105.19 105.38 2piy n GLY 135 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2piy n GLY 135 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2piy s THR 136 N -2.16 0.08 -1.89 2.61 -1.32 -1.18 -5.03 115.64 106.76 2piy s THR 136 Ca 0.00 -0.74 0.25 0.00 -1.21 0.00 0.00 61.69 59.99 2piy s THR 136 Cb 0.00 -1.24 0.20 0.00 -1.51 0.00 0.00 72.50 69.94 2piy s THR 136 CO 0.00 -0.38 1.43 0.35 -2.21 0.00 0.00 174.62 173.81 2piy n THR 137 N -0.19 0.00 -2.28 5.08 -2.24 -1.26 -4.57 114.28 108.82 2piy n THR 137 Ca -0.15 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2piy n THR 137 Cb 0.63 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 2piy n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2piy s ILE 139 N -0.51 3.87 0.00 0.00 -1.09 -1.26 -3.95 121.20 118.25 2piy s ILE 139 Ca 0.51 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2piy s ILE 139 Cb -0.36 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2piy s ILE 139 CO 0.42 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 175.34 2piy n GLY 140 N 2.21 1.71 3.31 6.18 0.00 0.01 -4.92 105.19 113.68 2piy n GLY 140 Ca -0.18 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 2piy n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2piy s THR 141 N -2.28 1.92 -0.40 2.61 2.01 -1.26 -4.83 115.64 113.41 2piy s THR 141 Ca 0.00 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.25 2piy s THR 141 Cb 0.00 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.84 2piy s THR 141 CO 0.00 0.15 1.26 -0.62 -0.69 0.00 0.00 174.62 174.72 2piy s ASP 142 N -1.58 6.56 0.53 3.53 -1.08 -0.40 -1.43 116.67 122.81 2piy s ASP 142 Ca 0.10 0.80 0.19 0.00 -0.52 0.00 0.00 52.55 53.11 2piy s ASP 142 Cb -0.10 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.18 2piy s ASP 142 CO 0.03 -1.25 2.16 1.55 0.52 0.00 0.00 175.17 178.18 2piy h PRO 143 N 9.66 0.00 -0.60 4.34 0.13 -1.86 -0.62 132.00 143.06 2piy h PRO 143 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2piy h PRO 143 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2piy h PRO 143 CO 1.09 0.02 0.00 -1.71 -0.23 0.00 0.00 178.00 177.16 2piy n ASN 144 N -4.38 2.51 -0.01 1.44 5.15 -1.26 -2.22 115.26 116.48 2piy n ASN 144 Ca -0.03 -2.23 0.01 0.00 -0.60 0.00 0.00 54.58 51.73 2piy n ASN 144 Cb 0.10 -0.42 0.01 0.00 -0.53 0.00 0.00 39.78 38.94 2piy n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2piy n ARG 145 N 0.36 2.55 -0.12 1.20 5.12 -0.25 -3.30 116.66 122.22 2piy n ARG 145 Ca 0.12 -1.50 0.06 0.00 -1.93 0.00 0.00 57.85 54.60 2piy n ARG 145 Cb 0.50 -0.99 0.12 0.00 -1.16 0.00 0.00 32.46 30.93 2piy n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2piy n ASN 146 N -0.53 2.65 -4.96 0.55 4.05 -0.94 -4.55 115.26 111.53 2piy n ASN 146 Ca 0.01 -1.83 -0.22 0.00 0.45 0.00 0.00 54.58 52.99 2piy n ASN 146 Cb 0.31 -0.16 -0.01 0.00 1.23 0.00 0.00 39.78 41.15 2piy n ASN 146 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2piy s PHE 147 N -1.00 3.41 -1.46 1.20 0.40 -0.18 -0.05 117.98 120.31 2piy s PHE 147 Ca 0.21 0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.63 2piy s PHE 147 Cb 0.12 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.80 2piy s PHE 147 CO 0.16 0.12 2.53 -3.47 0.70 0.00 0.00 175.22 175.27 2piy n ASP 148 N -1.72 7.39 -3.70 1.36 2.03 -1.26 -4.25 116.55 116.41 2piy n ASP 148 Ca -0.05 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 2piy n ASP 148 Cb 0.57 -1.50 -0.15 0.00 -0.72 0.00 0.00 41.12 39.32 2piy n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2piy s ALA 149 N 0.97 1.28 -1.67 -1.67 0.00 -1.26 -4.77 121.76 114.64 2piy s ALA 149 Ca 0.58 -1.42 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 2piy s ALA 149 Cb 0.17 -1.52 0.14 0.00 0.00 0.00 0.00 23.12 21.91 2piy s ALA 149 CO -0.07 -1.59 0.73 0.41 0.00 0.00 0.00 175.76 175.24 2piy n GLY 150 N 4.96 -0.41 3.66 0.00 0.00 -1.26 -0.85 105.19 111.28 2piy n GLY 150 Ca -0.04 0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 2piy n GLY 150 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2piy n TRP 151 N -4.39 2.17 -1.94 1.61 -0.00 -1.26 -2.08 117.44 111.54 2piy n TRP 151 Ca 0.03 0.27 -0.18 0.00 -0.00 0.00 0.00 57.50 57.62 2piy n TRP 151 Cb 0.52 -2.54 -0.04 0.00 -0.00 0.00 0.00 31.31 29.24 2piy n TRP 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2piy n THR 153 N -2.93 1.08 -3.56 0.00 -2.24 -0.89 -4.86 114.28 100.89 2piy n THR 153 Ca -0.19 -0.70 -0.17 0.00 -2.27 0.00 0.00 64.05 60.72 2piy n THR 153 Cb 0.62 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 2piy n THR 153 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2piy s THR 154 N -2.92 0.00 -1.75 4.28 -1.32 -1.26 -4.92 115.64 107.75 2piy s THR 154 Ca -0.05 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2piy s THR 154 Cb 0.09 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2piy s THR 154 CO 0.83 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.84 2piy n GLY 155 N 1.38 1.09 3.03 6.08 0.00 -1.26 -0.85 105.19 114.66 2piy n GLY 155 Ca -0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 2piy n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2piy s ALA 156 N -2.72 -0.03 -0.02 4.61 0.00 -1.26 -4.37 121.76 117.96 2piy s ALA 156 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2piy s ALA 156 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2piy s ALA 156 CO 0.00 -0.19 -0.09 0.45 0.00 0.00 0.00 175.76 175.93 2piy s SER 157 N -1.51 4.46 0.00 0.00 0.15 -0.87 -4.90 113.70 111.04 2piy s SER 157 Ca -0.14 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.63 2piy s SER 157 Cb -0.08 -1.03 1.02 0.00 -1.71 0.00 0.00 66.02 64.22 2piy s SER 157 CO -0.00 0.31 1.72 0.35 1.20 0.00 0.00 173.24 176.82 2piy n THR 158 N 1.86 0.05 -2.98 6.45 -2.24 -1.26 -1.46 114.28 114.70 2piy n THR 158 Ca -0.16 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 2piy n THR 158 Cb 0.53 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 2piy n THR 158 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2piy s ASP 159 N -1.90 6.62 0.63 3.42 3.68 -1.26 -4.93 116.67 122.93 2piy s ASP 159 Ca 0.37 0.60 0.33 0.00 2.13 0.00 0.00 52.55 55.98 2piy s ASP 159 Cb 0.20 -2.39 1.85 0.00 -1.45 0.00 0.00 42.92 41.13 2piy s ASP 159 CO 0.32 -0.59 2.13 -0.65 0.13 0.00 0.00 175.17 176.51 2piy h PRO 160 N 8.14 0.00 0.00 4.34 0.11 -1.93 -0.53 132.00 142.14 2piy h PRO 160 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2piy h PRO 160 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2piy h PRO 160 CO 0.87 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.53 2piy s ASP 162 N -3.16 6.82 0.54 0.00 1.01 -0.21 -4.96 116.67 116.71 2piy s ASP 162 Ca 0.13 1.61 0.34 0.00 0.71 0.00 0.00 52.55 55.34 2piy s ASP 162 Cb 0.18 -2.51 1.43 0.00 1.01 0.00 0.00 42.92 43.02 2piy s ASP 162 CO 0.58 -0.42 1.99 -0.33 0.21 0.00 0.00 175.17 177.20 2piy h GLU 163 N 1.61 0.00 -0.39 8.23 4.39 -1.90 -2.80 114.58 123.72 2piy h GLU 163 Ca -0.48 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.07 2piy h GLU 163 Cb 1.18 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.74 2piy h GLU 163 CO 0.61 0.00 0.03 0.25 -1.16 0.00 0.00 179.01 178.74 2piy n THR 164 N -3.01 2.54 -1.67 1.13 -2.24 -1.26 -4.53 114.28 105.23 2piy n THR 164 Ca 0.00 -2.33 -0.46 0.00 -2.27 0.00 0.00 64.05 59.00 2piy n THR 164 Cb 0.28 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 2piy n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2piy n TYR 165 N -0.87 2.30 1.26 4.78 9.36 -1.06 -2.05 117.16 130.88 2piy n TYR 165 Ca 0.32 0.26 0.13 0.00 3.32 0.00 0.00 57.90 61.93 2piy n TYR 165 Cb 1.06 -2.55 0.41 0.00 -0.63 0.00 0.00 39.34 37.63 2piy n TYR 165 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2piy n GLY 167 N 1.34 -0.39 0.13 0.00 0.00 -1.26 -4.34 105.19 100.67 2piy n GLY 167 Ca 0.12 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.33 2piy n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2piy h SER 168 N 0.00 0.00 -4.95 1.61 4.64 -1.96 -3.47 113.55 109.41 2piy h SER 168 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2piy h SER 168 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2piy h SER 168 CO 0.00 0.53 0.31 0.00 -0.87 0.00 0.00 176.83 176.80 2piy s ALA 169 N -2.94 -1.58 0.28 5.18 0.00 -1.26 -5.06 121.76 116.37 2piy s ALA 169 Ca 0.04 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2piy s ALA 169 Cb 0.08 0.75 -0.13 0.00 0.00 0.00 0.00 23.12 23.82 2piy s ALA 169 CO 0.75 -0.83 1.45 0.00 0.00 0.00 0.00 175.76 177.13 2piy n ALA 170 N -0.37 1.61 -1.70 0.00 0.00 -1.26 -1.79 120.51 117.00 2piy n ALA 170 Ca -0.11 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 2piy n ALA 170 Cb 0.63 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 2piy n ALA 170 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2piy n GLU 171 N 1.76 -1.19 0.28 0.00 1.02 0.93 -4.89 120.64 118.55 2piy n GLU 171 Ca 0.09 1.00 0.16 0.00 -0.02 0.00 0.00 57.16 58.39 2piy n GLU 171 Cb 0.34 -5.26 0.77 0.00 -0.02 0.00 0.00 31.44 27.27 2piy n GLU 171 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2piy h SER 172 N 0.00 0.00 -3.43 1.62 4.64 -1.59 -3.38 113.55 111.40 2piy h SER 172 Ca -0.35 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.43 2piy h SER 172 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 2piy h SER 172 CO 0.48 0.07 0.12 -1.61 -0.87 0.00 0.00 176.83 175.03 2piy s GLU 173 N -3.94 4.47 0.36 4.77 0.41 -1.26 -4.96 118.70 118.54 2piy s GLU 173 Ca -0.01 1.03 0.05 0.00 -0.41 0.00 0.00 54.97 55.63 2piy s GLU 173 Cb 0.11 -3.28 0.71 0.00 -1.78 0.00 0.00 34.13 29.90 2piy s GLU 173 CO 0.55 0.52 1.97 0.87 -0.49 0.00 0.00 175.26 178.68 2piy h LYS 174 N 4.69 0.76 -0.32 1.61 1.57 -1.89 -1.67 116.57 121.32 2piy h LYS 174 Ca -0.47 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 2piy h LYS 174 Cb 1.21 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2piy h LYS 174 CO 0.67 0.50 -0.35 0.93 -0.57 0.00 0.00 179.45 180.63 2piy h GLU 175 N 0.78 0.80 -0.03 3.15 3.07 -1.93 -0.77 114.58 119.64 2piy h GLU 175 Ca 0.29 -0.43 -0.22 0.00 -0.50 0.00 0.00 59.36 58.50 2piy h GLU 175 Cb 0.16 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2piy h GLU 175 CO -0.09 1.06 -0.88 1.79 -1.40 0.00 0.00 179.01 179.49 2piy h THR 176 N 0.57 1.37 -0.86 1.13 1.35 -1.86 -2.27 112.91 112.34 2piy h THR 176 Ca 0.05 -2.31 -0.02 0.00 -0.55 0.00 0.00 66.41 63.57 2piy h THR 176 Cb 0.93 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 69.62 2piy h THR 176 CO 0.09 0.70 0.45 0.50 -0.25 0.00 0.00 175.52 177.01 2piy h LYS 177 N 0.28 1.21 -0.51 4.72 3.64 -1.28 -0.30 116.57 124.33 2piy h LYS 177 Ca -0.07 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2piy h LYS 177 Cb 1.51 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2piy h LYS 177 CO 0.16 0.90 0.25 0.00 -2.27 0.00 0.00 179.45 178.49 2piy h ALA 178 N 1.24 0.66 -0.32 5.00 0.00 -1.01 0.16 119.26 125.00 2piy h ALA 178 Ca 0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2piy h ALA 178 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2piy h ALA 178 CO -0.05 0.22 -0.17 1.25 0.00 0.00 0.00 179.25 180.50 2piy h LEU 179 N 0.68 0.70 -0.60 0.00 6.46 -1.18 -1.93 115.31 119.44 2piy h LEU 179 Ca 0.18 -0.42 -0.07 0.00 -0.12 0.00 0.00 57.88 57.45 2piy h LEU 179 Cb 0.11 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2piy h LEU 179 CO -0.02 0.96 0.10 0.00 -0.62 0.00 0.00 178.44 178.86 2piy h ALA 180 N 0.76 0.80 -0.44 1.25 0.00 -0.92 -1.97 119.26 118.74 2piy h ALA 180 Ca 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2piy h ALA 180 Cb 0.71 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2piy h ALA 180 CO 0.05 0.55 0.19 -0.44 0.00 0.00 0.00 179.25 179.61 2piy h ASP 181 N 0.90 0.26 -0.34 0.00 3.32 -0.58 -0.56 116.42 119.43 2piy h ASP 181 Ca 0.18 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2piy h ASP 181 Cb 0.43 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2piy h ASP 181 CO 0.01 0.19 0.12 0.15 -1.72 0.00 0.00 179.24 177.99 2piy h PHE 182 N 0.39 0.52 -0.50 4.55 3.57 -1.04 -1.87 116.94 122.57 2piy h PHE 182 Ca 0.19 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2piy h PHE 182 Cb 0.14 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2piy h PHE 182 CO -0.12 0.50 0.14 0.82 -2.23 0.00 0.00 178.31 177.42 2piy h ILE 183 N 0.39 1.24 -0.78 1.41 2.04 -1.19 -2.31 117.51 118.30 2piy h ILE 183 Ca 0.11 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.25 2piy h ILE 183 Cb 0.21 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2piy h ILE 183 CO -0.01 0.30 0.51 0.03 0.00 0.00 0.00 178.15 178.98 2piy h ARG 184 N 0.69 0.72 0.00 2.37 3.08 -0.96 -1.66 114.38 118.62 2piy h ARG 184 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2piy h ARG 184 Cb 0.31 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2piy h ARG 184 CO -0.00 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 179.46 2piy n ASN 185 N -4.50 0.72 -0.71 7.04 3.02 -0.71 -3.56 115.26 116.56 2piy n ASN 185 Ca 0.13 0.59 0.06 0.00 -0.03 0.00 0.00 54.58 55.32 2piy n ASN 185 Cb 0.31 -0.77 0.13 0.00 -0.61 0.00 0.00 39.78 38.84 2piy n ASN 185 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2piy n ASN 186 N -2.20 1.51 -0.10 6.41 3.02 -0.76 -4.86 115.26 118.29 2piy n ASN 186 Ca 0.05 -3.14 -0.01 0.00 -0.03 0.00 0.00 54.58 51.45 2piy n ASN 186 Cb 0.38 -0.43 0.26 0.00 -0.61 0.00 0.00 39.78 39.39 2piy n ASN 186 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2piy h LEU 187 N 0.73 0.68 -1.21 3.41 5.85 -1.38 -2.15 115.31 121.24 2piy h LEU 187 Ca -0.05 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2piy h LEU 187 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2piy h LEU 187 CO 0.02 0.62 0.00 0.77 -0.34 0.00 0.00 178.44 179.52 2piy h SER 187 N 0.73 0.00 0.00 1.25 4.64 -1.89 -3.18 113.55 115.11 2piy h SER 187 Ca 0.18 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 2piy h SER 187 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 2piy h SER 187 CO -0.01 0.00 -2.14 -1.54 -0.87 0.00 0.00 176.83 172.27 2piy n SER 188 N -2.70 0.82 -4.66 4.97 3.41 -0.85 -4.95 113.62 109.66 2piy n SER 188 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 2piy n SER 188 Cb 0.25 0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 2piy n SER 188 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2piy s ILE 189 N -2.47 4.63 -0.10 -1.33 1.01 -0.97 -0.42 121.20 121.55 2piy s ILE 189 Ca -0.08 1.95 0.13 0.00 0.00 0.00 0.00 60.65 62.65 2piy s ILE 189 Cb 0.06 -4.33 -0.20 0.00 0.01 0.00 0.00 42.46 38.00 2piy s ILE 189 CO 0.70 -0.25 0.33 0.29 0.00 0.00 0.00 174.94 176.01 2piy n LYS 190 N 6.46 0.70 -3.84 2.79 4.76 0.20 -4.79 118.16 124.44 2piy n LYS 190 Ca 0.12 -0.11 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 2piy n LYS 190 Cb 0.46 -1.29 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 2piy n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2piy s ALA 191 N -2.84 -0.45 -0.08 7.82 0.00 -1.24 -3.74 121.76 121.21 2piy s ALA 191 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2piy s ALA 191 Cb 0.09 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2piy s ALA 191 CO 0.56 -0.22 -0.12 -0.47 0.00 0.00 0.00 175.76 175.50 2piy s TYR 192 N -1.36 1.60 -0.10 0.00 5.04 0.10 -1.39 117.35 121.23 2piy s TYR 192 Ca -0.14 -0.67 0.01 0.00 -2.44 0.00 0.00 57.07 53.82 2piy s TYR 192 Cb -0.07 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.07 2piy s TYR 192 CO 0.02 -0.37 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.24 2piy s LEU 193 N 0.93 1.47 -0.09 6.97 1.43 0.47 -1.20 118.68 128.65 2piy s LEU 193 Ca -0.09 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2piy s LEU 193 Cb -0.15 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.18 2piy s LEU 193 CO 0.00 -0.04 -0.17 0.28 0.23 0.00 0.00 176.35 176.65 2piy s THR 194 N 1.22 1.60 -0.22 5.49 -1.32 -0.46 -1.52 115.64 120.43 2piy s THR 194 Ca -0.04 -0.73 -0.08 0.00 -1.21 0.00 0.00 61.69 59.64 2piy s THR 194 Cb -0.14 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 2piy s THR 194 CO -0.03 0.46 0.08 -0.63 -2.21 0.00 0.00 174.62 172.28 2piy s ILE 195 N 0.68 4.59 0.39 5.08 -1.09 -0.51 -1.04 121.20 129.31 2piy s ILE 195 Ca -0.13 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.24 2piy s ILE 195 Cb -0.16 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 2piy s ILE 195 CO 0.03 0.38 0.11 -1.00 -1.23 0.00 0.00 174.94 173.24 2piy s HIS 196 N 1.07 1.81 0.13 3.97 3.76 0.16 -4.06 115.29 122.12 2piy s HIS 196 Ca 0.04 -1.21 -0.08 0.00 -0.15 0.00 0.00 55.06 53.66 2piy s HIS 196 Cb -0.14 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 2piy s HIS 196 CO 0.03 -0.24 0.22 -1.54 -0.85 0.00 0.00 174.74 172.36 2piy s SER 197 N -3.57 0.11 0.49 1.40 1.04 -1.26 -1.22 113.70 110.68 2piy s SER 197 Ca 0.27 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2piy s SER 197 Cb 0.04 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2piy s SER 197 CO 0.15 -0.80 0.02 -0.72 0.98 0.00 0.00 173.24 172.87 2piy s TYR 198 N -3.92 2.01 0.00 5.02 1.13 -1.26 -4.88 117.35 115.45 2piy s TYR 198 Ca 0.12 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 2piy s TYR 198 Cb 0.04 -1.67 0.00 0.00 -1.10 0.00 0.00 41.96 39.24 2piy s TYR 198 CO -0.05 0.25 0.00 0.43 -2.51 0.00 0.00 175.55 173.67 2piy n SER 199 N -1.22 0.00 -3.12 -0.18 7.64 -0.40 -4.80 113.62 111.53 2piy n SER 199 Ca -0.15 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.69 2piy n SER 199 Cb 0.67 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.88 2piy n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2piy n GLN 200 N 0.00 -1.52 -4.02 1.43 6.02 -0.49 -4.81 117.38 113.99 2piy n GLN 200 Ca 0.00 1.34 -0.09 0.00 -0.01 0.00 0.00 57.00 58.24 2piy n GLN 200 Cb 0.00 -5.70 -0.11 0.00 1.02 0.00 0.00 30.24 25.45 2piy n GLN 200 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2piy s MET 201 N -3.37 0.41 -0.22 -1.09 -1.94 -0.41 -1.72 119.30 110.96 2piy s MET 201 Ca 0.10 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2piy s MET 201 Cb -0.01 0.08 0.01 0.00 2.01 0.00 0.00 34.83 36.91 2piy s MET 201 CO 0.75 -0.05 -0.09 0.42 -0.01 0.00 0.00 175.02 176.05 2piy s ILE 202 N -2.01 2.93 0.13 2.53 1.01 -0.25 -0.76 121.20 124.78 2piy s ILE 202 Ca -0.10 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2piy s ILE 202 Cb -0.06 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2piy s ILE 202 CO -0.03 0.40 0.02 -0.76 0.00 0.00 0.00 174.94 174.57 2piy s LEU 203 N 1.40 3.48 0.26 2.97 1.43 0.31 -2.11 118.68 126.42 2piy s LEU 203 Ca 0.04 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2piy s LEU 203 Cb -0.14 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2piy s LEU 203 CO -0.06 0.13 0.22 -0.72 0.23 0.00 0.00 176.35 176.15 2piy s TYR 204 N -1.50 1.40 0.79 0.29 -0.85 -0.90 -0.92 117.35 115.66 2piy s TYR 204 Ca 0.27 -1.49 -0.14 0.00 -0.52 0.00 0.00 57.07 55.19 2piy s TYR 204 Cb -0.11 -0.59 0.06 0.00 0.38 0.00 0.00 41.96 41.70 2piy s TYR 204 CO 0.19 -0.77 1.10 -2.30 -1.52 0.00 0.00 175.55 172.26 2piy n PRO 205 N -0.44 0.27 -4.19 -3.49 -0.02 -1.26 -0.49 135.00 125.38 2piy n PRO 205 Ca 0.04 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 2piy n PRO 205 Cb 0.64 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 2piy n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2piy s TYR 206 N -2.04 2.88 -0.04 6.00 2.02 -1.26 -4.42 117.35 120.50 2piy s TYR 206 Ca 0.73 -0.13 0.11 0.00 -0.37 0.00 0.00 57.07 57.41 2piy s TYR 206 Cb -0.30 -1.38 -0.16 0.00 -0.40 0.00 0.00 41.96 39.71 2piy s TYR 206 CO 0.51 0.53 0.24 0.43 -1.57 0.00 0.00 175.55 175.69 2piy n SER 207 N -0.24 2.46 -0.36 2.29 7.64 -1.26 -1.41 113.62 122.74 2piy n SER 207 Ca -0.09 -0.03 0.14 0.00 1.01 0.00 0.00 58.87 59.89 2piy n SER 207 Cb 0.55 1.47 0.48 0.00 -1.01 0.00 0.00 64.21 65.70 2piy n SER 207 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2piy n TYR 208 N -1.84 0.00 -3.44 1.43 0.18 -1.26 -0.75 117.16 111.48 2piy n TYR 208 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.63 2piy n TYR 208 Cb 0.27 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.15 2piy n TYR 208 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2piy s ASP 209 N -2.22 -0.57 0.00 9.48 2.15 -1.26 -4.81 116.67 119.44 2piy s ASP 209 Ca 0.32 0.10 0.28 0.00 0.43 0.00 0.00 52.55 53.68 2piy s ASP 209 Cb 0.20 0.59 1.04 0.00 -0.30 0.00 0.00 42.92 44.45 2piy s ASP 209 CO 0.41 -0.91 1.74 -1.22 -0.17 0.00 0.00 175.17 175.02 2piy n TYR 210 N -0.18 0.00 -1.52 -5.34 4.02 -1.26 -4.47 117.16 108.42 2piy n TYR 210 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.36 2piy n TYR 210 Cb 0.64 -0.12 0.08 0.00 -0.02 0.00 0.00 39.34 39.92 2piy n TYR 210 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2piy n LYS 211 N -0.65 0.78 -3.85 -0.72 2.85 -1.26 -4.96 118.16 110.35 2piy n LYS 211 Ca 0.15 0.32 -0.35 0.00 -1.05 0.00 0.00 58.31 57.38 2piy n LYS 211 Cb 0.31 -2.39 -0.05 0.00 -0.65 0.00 0.00 35.03 32.25 2piy n LYS 211 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2piy s LEU 212 N -3.94 4.38 0.67 -5.58 1.43 -1.26 -4.12 118.68 110.26 2piy s LEU 212 Ca 0.78 0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 2piy s LEU 212 Cb -0.36 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2piy s LEU 212 CO 0.45 0.32 1.17 -2.16 0.23 0.00 0.00 176.35 176.36 2piy s PRO 213 N -1.50 2.61 0.49 1.29 0.04 -1.26 -4.92 135.00 131.75 2piy s PRO 213 Ca 0.22 1.64 0.14 0.00 0.04 0.00 0.00 61.00 63.04 2piy s PRO 213 Cb -0.13 -1.90 1.16 0.00 0.04 0.00 0.00 34.50 33.67 2piy s PRO 213 CO 0.12 -1.45 2.12 1.05 0.04 0.00 0.00 177.00 178.88 2piy h GLU 214 N 0.16 0.15 -0.92 4.56 -0.00 -1.98 -0.70 114.58 115.84 2piy h GLU 214 Ca -0.48 -0.01 -0.58 0.00 -0.00 0.00 0.00 59.36 58.29 2piy h GLU 214 Cb 1.28 -0.03 -0.29 0.00 -0.00 0.00 0.00 28.75 29.70 2piy h GLU 214 CO 0.53 0.10 0.57 0.27 -0.00 0.00 0.00 179.01 180.48 2piy n ASN 215 N -4.52 5.88 -0.23 3.06 2.04 -1.26 -4.72 115.26 115.51 2piy n ASN 215 Ca -0.01 -3.74 0.02 0.00 -0.44 0.00 0.00 54.58 50.42 2piy n ASN 215 Cb 0.10 -0.85 0.14 0.00 -2.53 0.00 0.00 39.78 36.64 2piy n ASN 215 CO 0.00 0.00 0.00 -1.13 -0.44 0.00 0.00 177.26 175.69 2piy h ASN 216 N 1.65 0.28 -0.47 0.53 -1.24 -1.48 -1.35 115.58 113.51 2piy h ASN 216 Ca 0.56 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.57 2piy h ASN 216 Cb 1.54 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 40.63 2piy h ASN 216 CO 1.28 0.14 -0.06 0.00 -1.29 0.00 0.00 177.43 177.50 2piy h ALA 217 N 1.47 0.64 -0.69 1.57 0.00 -1.85 0.35 119.26 120.75 2piy h ALA 217 Ca 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2piy h ALA 217 Cb 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2piy h ALA 217 CO -0.34 0.50 0.35 1.49 0.00 0.00 0.00 179.25 181.25 2piy h GLU 218 N 0.71 0.98 -0.31 0.00 4.81 -1.83 -0.82 114.58 118.11 2piy h GLU 218 Ca 0.12 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2piy h GLU 218 Cb 0.60 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2piy h GLU 218 CO 0.04 0.76 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.63 2piy h LEU 219 N 0.95 0.78 -0.38 1.64 3.38 -0.98 -1.47 115.31 119.22 2piy h LEU 219 Ca 0.24 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2piy h LEU 219 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2piy h LEU 219 CO -0.03 1.07 0.06 -1.13 0.09 0.00 0.00 178.44 178.49 2piy h ASN 220 N 0.61 0.61 -0.86 -0.43 -0.73 -0.71 -0.36 115.58 113.71 2piy h ASN 220 Ca 0.05 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 57.93 2piy h ASN 220 Cb 0.92 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.30 2piy h ASN 220 CO 0.08 0.72 0.42 0.78 -0.37 0.00 0.00 177.43 179.06 2piy h ASN 221 N 0.48 1.12 -0.31 1.15 2.35 -1.04 -0.32 115.58 119.00 2piy h ASN 221 Ca 0.12 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2piy h ASN 221 Cb 0.37 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2piy h ASN 221 CO 0.01 0.94 -0.16 0.25 -1.65 0.00 0.00 177.43 176.82 2piy h LEU 222 N 1.22 0.68 -0.73 1.61 5.85 -1.09 -1.83 115.31 121.02 2piy h LEU 222 Ca 0.29 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2piy h LEU 222 Cb 0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2piy h LEU 222 CO -0.04 0.94 0.34 0.00 -0.34 0.00 0.00 178.44 179.34 2piy h ALA 223 N 0.76 0.94 -0.55 1.25 0.00 -0.89 -0.59 119.26 120.19 2piy h ALA 223 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2piy h ALA 223 Cb 0.68 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2piy h ALA 223 CO 0.05 0.52 0.34 -0.22 0.00 0.00 0.00 179.25 179.94 2piy h LYS 224 N 1.02 0.67 -0.40 0.00 3.64 -0.93 -1.19 116.57 119.38 2piy h LYS 224 Ca 0.25 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2piy h LYS 224 Cb 0.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2piy h LYS 224 CO -0.03 0.44 -0.23 0.00 -2.27 0.00 0.00 179.45 177.37 2piy h ALA 225 N 1.22 0.84 -0.46 5.00 0.00 -1.07 -2.47 119.26 122.33 2piy h ALA 225 Ca 0.21 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2piy h ALA 225 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2piy h ALA 225 CO -0.07 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 2piy h ALA 226 N 1.04 0.80 -0.04 0.00 0.00 -0.74 -1.28 119.26 119.04 2piy h ALA 226 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2piy h ALA 226 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2piy h ALA 226 CO 0.06 0.65 -0.62 -0.39 0.00 0.00 0.00 179.25 178.95 2piy h VAL 227 N 0.79 1.41 -0.38 0.00 -1.51 -1.17 -0.94 116.25 114.44 2piy h VAL 227 Ca 0.11 -2.05 -0.02 0.00 -1.23 0.00 0.00 66.70 63.51 2piy h VAL 227 Cb 0.73 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.95 2piy h VAL 227 CO 0.06 0.60 0.17 0.50 -1.23 0.00 0.00 177.57 177.66 2piy h LYS 228 N 0.11 0.56 -0.65 5.19 3.64 -1.22 -2.13 116.57 122.08 2piy h LYS 228 Ca -0.01 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2piy h LYS 228 Cb 1.12 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2piy h LYS 228 CO 0.09 0.52 0.34 1.49 -2.27 0.00 0.00 179.45 179.62 2piy h GLU 229 N 0.47 0.92 -0.72 1.90 4.57 -1.03 -2.80 114.58 117.89 2piy h GLU 229 Ca 0.13 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2piy h GLU 229 Cb 0.16 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2piy h GLU 229 CO -0.01 0.71 0.42 1.25 -1.18 0.00 0.00 179.01 180.19 2piy h LEU 230 N 0.89 0.87 -0.96 1.64 6.46 -1.00 -2.48 115.31 120.73 2piy h LEU 230 Ca 0.23 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2piy h LEU 230 Cb 0.07 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2piy h LEU 230 CO -0.03 0.68 0.00 0.00 -0.62 0.00 0.00 178.44 178.47 2piy h ALA 231 N 1.47 1.00 0.00 1.25 0.00 -1.11 -3.19 119.26 118.68 2piy h ALA 231 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2piy h ALA 231 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2piy h ALA 231 CO -0.05 0.00 -0.09 1.79 0.00 0.00 0.00 179.25 180.90 2piy h THR 232 N 0.00 0.78 0.01 0.00 1.35 -1.39 0.10 112.91 113.76 2piy h THR 232 Ca 0.00 -0.35 -0.06 0.00 -0.55 0.00 0.00 66.41 65.45 2piy h THR 232 Cb 0.48 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2piy h THR 232 CO 0.00 0.09 -0.31 0.25 -0.25 0.00 0.00 175.52 175.30 2piy h LEU 233 N 0.00 0.04 -1.12 3.87 5.85 -1.75 -3.42 115.31 118.79 2piy h LEU 233 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2piy h LEU 233 Cb 0.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2piy h LEU 233 CO 0.01 1.13 0.00 -1.22 -0.34 0.00 0.00 178.44 178.02 2piy n TYR 234 N -4.53 0.00 -1.00 1.25 4.01 -1.23 -5.01 117.16 110.65 2piy n TYR 234 Ca -0.15 -0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2piy n TYR 234 Cb 0.55 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2piy n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2piy n GLY 235 N -0.08 0.48 3.72 2.72 0.00 0.36 -4.99 105.19 107.39 2piy n GLY 235 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2piy n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2piy s THR 236 N -1.98 2.89 -0.25 2.61 2.01 -1.26 -4.95 115.64 114.71 2piy s THR 236 Ca 0.00 0.64 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 2piy s THR 236 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2piy s THR 236 CO 0.00 0.05 0.16 -0.54 -0.69 0.00 0.00 174.62 173.60 2piy s LYS 237 N 1.12 3.98 0.05 4.92 1.02 -1.26 -4.05 119.74 125.52 2piy s LYS 237 Ca 0.68 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.40 2piy s LYS 237 Cb -0.41 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2piy s LYS 237 CO 0.31 -0.05 -0.03 0.71 -0.92 0.00 0.00 175.35 175.36 2piy s TYR 238 N 1.37 2.93 0.47 3.18 1.51 -1.26 -4.88 117.35 120.67 2piy s TYR 238 Ca 0.07 -0.03 0.08 0.00 -1.01 0.00 0.00 57.07 56.17 2piy s TYR 238 Cb -0.15 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2piy s TYR 238 CO 0.07 0.44 0.49 0.95 -1.11 0.00 0.00 175.55 176.39 2piy s THR 239 N -1.17 2.46 0.11 -0.71 -4.23 -0.70 -4.97 115.64 106.42 2piy s THR 239 Ca 0.22 -1.24 -0.24 0.00 -1.18 0.00 0.00 61.69 59.24 2piy s THR 239 Cb -0.11 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.09 2piy s THR 239 CO 0.13 0.00 0.61 -0.72 -0.54 0.00 0.00 174.62 174.10 2piy s TYR 240 N -2.53 -0.55 -5.00 3.99 1.13 -1.26 -1.09 117.35 112.04 2piy s TYR 240 Ca 0.50 0.50 0.00 0.00 -1.41 0.00 0.00 57.07 56.65 2piy s TYR 240 Cb -0.05 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 2piy s TYR 240 CO 0.30 -0.78 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 2piy n GLY 241 N -0.05 -1.88 3.77 5.49 0.00 -0.90 -4.98 105.19 106.64 2piy n GLY 241 Ca -0.17 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2piy n GLY 241 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2piy s PRO 242 N -1.80 3.70 0.15 1.61 0.02 -1.26 -2.11 135.00 135.31 2piy s PRO 242 Ca 0.00 2.42 -0.17 0.00 0.02 0.00 0.00 61.00 63.27 2piy s PRO 242 Cb 0.00 -2.66 0.05 0.00 0.02 0.00 0.00 34.50 31.91 2piy s PRO 242 CO 0.00 -0.81 1.74 0.78 -0.33 0.00 0.00 177.00 178.38 2piy h GLY 243 N 2.34 0.41 0.97 0.52 0.00 -0.71 -1.33 103.07 105.26 2piy h GLY 243 Ca -0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2piy h GLY 243 CO 0.61 0.01 0.22 0.00 0.00 0.00 0.00 176.54 177.38 2piy h ALA 244 N 1.23 0.63 0.01 3.60 0.00 -1.38 -1.33 119.26 122.01 2piy h ALA 244 Ca 0.15 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2piy h ALA 244 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2piy h ALA 244 CO -0.18 0.21 -1.04 0.00 0.00 0.00 0.00 179.25 178.24 2piy h THR 245 N 0.64 1.67 0.04 0.00 1.03 -1.80 -3.02 112.91 111.48 2piy h THR 245 Ca 0.17 -3.38 -0.25 0.00 -0.01 0.00 0.00 66.41 62.93 2piy h THR 245 Cb 0.15 2.84 -0.02 0.00 -1.07 0.00 0.00 68.15 70.04 2piy h THR 245 CO -0.02 0.96 -1.26 0.74 -0.01 0.00 0.00 175.52 175.93 2piy h THR 246 N 0.00 1.43 0.00 0.00 2.02 -1.09 -3.44 112.91 111.82 2piy h THR 246 Ca -0.03 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.03 2piy h THR 246 Cb 1.79 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.98 2piy h THR 246 CO 0.13 0.85 0.00 -0.38 0.37 0.00 0.00 175.52 176.49 2piy n ILE 247 N -3.35 0.00 -3.63 3.11 5.41 -0.52 -5.08 119.36 115.30 2piy n ILE 247 Ca -0.07 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.63 2piy n ILE 247 Cb 0.99 -0.55 -0.02 0.00 -0.71 0.00 0.00 39.64 39.36 2piy n ILE 247 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2piy s TYR 248 N -0.10 -0.21 0.33 1.39 -0.85 -1.14 -5.01 117.35 111.75 2piy s TYR 248 Ca 0.00 0.00 -0.29 0.00 -0.52 0.00 0.00 57.07 56.26 2piy s TYR 248 Cb 0.00 0.59 -0.11 0.00 0.38 0.00 0.00 41.96 42.81 2piy s TYR 248 CO 0.00 -0.64 1.57 -2.14 -1.52 0.00 0.00 175.55 172.82 2piy s PRO 249 N -3.10 4.10 -0.42 -3.49 0.02 -1.24 -4.10 135.00 126.77 2piy s PRO 249 Ca 0.09 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.79 2piy s PRO 249 Cb -0.01 -2.99 0.18 0.00 0.02 0.00 0.00 34.50 31.70 2piy s PRO 249 CO -0.03 -0.62 0.60 0.00 -0.33 0.00 0.00 177.00 176.63 2piy s ALA 250 N -0.44 -1.96 0.65 -1.55 0.00 0.07 -4.23 121.76 114.30 2piy s ALA 250 Ca 0.59 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 2piy s ALA 250 Cb -0.48 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2piy s ALA 250 CO 0.55 -2.21 1.10 0.00 0.00 0.00 0.00 175.76 175.19 2piy s ALA 251 N 1.57 2.53 0.00 0.00 0.00 -0.03 -4.04 121.76 121.79 2piy s ALA 251 Ca 0.19 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2piy s ALA 251 Cb -0.05 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2piy s ALA 251 CO -0.06 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2piy n GLY 252 N -0.70 0.60 3.83 0.00 0.00 -0.03 -4.37 105.19 104.53 2piy n GLY 252 Ca 0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2piy n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2piy s GLY 253 N -2.57 2.35 0.25 -0.02 0.00 -1.21 -1.01 107.32 105.10 2piy s GLY 253 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.05 2piy s GLY 253 CO 0.00 0.49 1.55 1.48 0.00 0.00 0.00 173.10 176.62 2piy h SER 254 N 1.99 0.03 -0.40 1.64 4.64 -1.87 -2.14 113.55 117.45 2piy h SER 254 Ca -0.48 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 2piy h SER 254 Cb 1.18 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2piy h SER 254 CO 0.63 0.70 -0.19 -2.24 -0.87 0.00 0.00 176.83 174.86 2piy h ASP 255 N 0.01 0.85 -0.72 4.97 2.03 -1.93 -0.68 116.42 120.96 2piy h ASP 255 Ca -0.01 -0.40 -0.07 0.00 -0.73 0.00 0.00 57.03 55.82 2piy h ASP 255 Cb 1.21 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 39.44 2piy h ASP 255 CO 0.09 1.07 0.19 0.44 -1.03 0.00 0.00 179.24 180.00 2piy h ASP 256 N 0.64 1.08 -0.29 4.15 3.32 -1.94 -1.81 116.42 121.56 2piy h ASP 256 Ca 0.09 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2piy h ASP 256 Cb 0.74 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2piy h ASP 256 CO 0.06 1.02 0.09 -0.25 -1.72 0.00 0.00 179.24 178.43 2piy h TRP 257 N 1.08 0.48 -0.79 4.55 7.01 -1.25 -1.02 115.95 126.01 2piy h TRP 257 Ca 0.23 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.21 2piy h TRP 257 Cb 0.35 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 2piy h TRP 257 CO 0.03 0.50 0.51 0.00 -2.79 0.00 0.00 178.44 176.69 2piy h ALA 258 N 0.92 1.03 -0.41 2.65 0.00 -1.02 -1.70 119.26 120.73 2piy h ALA 258 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2piy h ALA 258 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2piy h ALA 258 CO -0.00 0.33 0.16 -0.92 0.00 0.00 0.00 179.25 178.81 2piy h TYR 259 N 0.99 0.63 0.00 0.00 3.20 -1.12 -2.09 116.97 118.59 2piy h TYR 259 Ca 0.31 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2piy h TYR 259 Cb -0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2piy h TYR 259 CO -0.03 0.56 0.00 -0.44 -1.64 0.00 0.00 178.16 176.61 2piy h ASP 260 N 0.52 0.00 0.73 -2.11 3.45 -0.73 0.65 116.42 118.93 2piy h ASP 260 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2piy h ASP 260 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2piy h ASP 260 CO -0.01 0.00 -0.09 0.00 -1.57 0.00 0.00 179.24 177.57 2piy n GLN 261 N -2.95 0.20 0.00 3.56 1.13 -0.68 -4.91 117.38 113.74 2piy n GLN 261 Ca -0.01 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2piy n GLN 261 Cb 0.18 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.03 2piy n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2piy n GLY 262 N 1.42 1.00 3.51 1.08 0.00 0.22 -5.06 105.19 107.35 2piy n GLY 262 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2piy n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2piy s ILE 263 N -2.00 4.31 -0.13 -0.61 1.01 -0.95 -4.90 121.20 117.92 2piy s ILE 263 Ca 0.00 0.13 0.21 0.00 0.00 0.00 0.00 60.65 60.98 2piy s ILE 263 Cb 0.00 -4.62 0.20 0.00 0.01 0.00 0.00 42.46 38.06 2piy s ILE 263 CO 0.00 -1.28 1.63 0.11 0.00 0.00 0.00 174.94 175.40 2piy h LYS 264 N 9.45 0.00 -4.17 2.79 1.79 -1.85 -3.34 116.57 121.23 2piy h LYS 264 Ca -0.27 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.48 2piy h LYS 264 Cb 1.07 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.41 2piy h LYS 264 CO 1.13 0.26 -0.38 0.71 -1.08 0.00 0.00 179.45 180.10 2piy s TYR 265 N -3.26 3.48 -0.10 -1.35 2.02 -1.25 -5.02 117.35 111.88 2piy s TYR 265 Ca 0.04 -2.15 -0.00 0.00 -0.37 0.00 0.00 57.07 54.59 2piy s TYR 265 Cb 0.08 -3.42 0.02 0.00 -0.40 0.00 0.00 41.96 38.24 2piy s TYR 265 CO 0.68 -0.96 -0.07 0.45 -1.57 0.00 0.00 175.55 174.08 2piy s SER 266 N 2.11 1.97 0.01 2.29 0.15 -1.26 -0.72 113.70 118.24 2piy s SER 266 Ca 0.09 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2piy s SER 266 Cb -0.23 -0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 2piy s SER 266 CO -0.03 -0.11 -0.05 -0.36 1.20 0.00 0.00 173.24 173.89 2piy s PHE 267 N 1.59 0.48 -0.19 3.44 0.08 -0.34 -4.31 117.98 118.73 2piy s PHE 267 Ca 0.02 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 2piy s PHE 267 Cb -0.13 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.98 2piy s PHE 267 CO -0.06 -0.02 0.04 0.99 -0.10 0.00 0.00 175.22 176.07 2piy s THR 268 N -0.38 4.52 -0.18 0.64 2.01 -0.10 -1.35 115.64 120.80 2piy s THR 268 Ca -0.01 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2piy s THR 268 Cb -0.04 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 2piy s THR 268 CO -0.00 0.45 0.13 -0.36 -0.69 0.00 0.00 174.62 174.15 2piy s PHE 269 N 0.55 3.45 -0.29 4.92 0.40 -0.20 -0.53 117.98 126.29 2piy s PHE 269 Ca 0.02 0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 2piy s PHE 269 Cb -0.13 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.33 2piy s PHE 269 CO 0.01 0.41 0.03 -1.21 0.70 0.00 0.00 175.22 175.17 2piy s GLU 270 N -0.05 2.88 0.00 0.44 0.41 0.07 0.37 118.70 122.81 2piy s GLU 270 Ca 0.10 -0.98 0.00 0.00 -0.41 0.00 0.00 54.97 53.68 2piy s GLU 270 Cb -0.11 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 2piy s GLU 270 CO -0.00 -0.48 0.00 1.28 -0.49 0.00 0.00 175.26 175.57 2piy n LEU 271 N 4.77 0.00 -4.70 1.80 4.77 -0.36 -1.29 117.00 121.99 2piy n LEU 271 Ca -0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 2piy n LEU 271 Cb 0.47 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 2piy n LEU 271 CO 0.29 -0.37 0.77 -0.13 -1.33 0.00 0.00 177.39 176.63 2piy s ARG 272 N -1.82 1.67 0.00 3.23 0.52 -1.26 -1.74 118.95 119.55 2piy s ARG 272 Ca 0.00 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 2piy s ARG 272 Cb 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.69 2piy s ARG 272 CO 0.00 -2.19 0.00 -0.40 0.02 0.00 0.00 175.30 172.73 2piy n ASP 273 N -3.26 0.00 -0.85 0.23 3.85 -1.26 -4.64 116.55 110.62 2piy n ASP 273 Ca 0.13 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.30 2piy n ASP 273 Cb 0.50 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.45 2piy n ASP 273 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2piy n LYS 274 N 0.00 2.29 0.00 0.11 4.76 -1.26 -1.28 118.16 122.78 2piy n LYS 274 Ca 0.00 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 2piy n LYS 274 Cb 0.00 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2piy n LYS 274 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2piy n GLY 275 N 0.97 1.10 0.12 0.72 0.00 -1.26 -4.94 105.19 101.90 2piy n GLY 275 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2piy n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2piy h ARG 276 N 0.00 0.33 0.00 1.61 2.43 -2.02 -3.28 114.38 113.45 2piy h ARG 276 Ca 0.00 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2piy h ARG 276 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2piy h ARG 276 CO 0.00 0.24 -1.61 0.66 -1.51 0.00 0.00 179.97 177.74 2piy n TYR 277 N -4.90 0.00 0.00 2.20 4.02 -1.26 -5.07 117.16 112.14 2piy n TYR 277 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2piy n TYR 277 Cb 0.04 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 2piy n TYR 277 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2piy n GLY 278 N 1.96 3.27 0.22 2.72 0.00 -1.24 -1.78 105.19 110.34 2piy n GLY 278 Ca -0.07 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.91 2piy n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2piy h PHE 279 N 0.00 0.00 -1.48 1.61 0.04 -1.92 -3.30 116.94 111.89 2piy h PHE 279 Ca 0.00 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.09 2piy h PHE 279 Cb 0.00 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 37.96 2piy h PHE 279 CO 0.00 0.23 1.25 -0.89 -0.60 0.00 0.00 178.31 178.30 2piy n ILE 280 N -3.44 4.47 -2.13 -0.55 2.08 -0.73 -4.44 119.36 114.62 2piy n ILE 280 Ca -0.00 -4.18 -0.42 0.00 0.56 0.00 0.00 62.75 58.71 2piy n ILE 280 Cb 0.42 -1.67 -0.03 0.00 -0.75 0.00 0.00 39.64 37.61 2piy n ILE 280 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2piy s LEU 281 N -2.90 4.37 0.41 1.39 2.96 -1.24 -4.85 118.68 118.82 2piy s LEU 281 Ca 0.53 2.39 -0.26 0.00 -0.22 0.00 0.00 54.13 56.56 2piy s LEU 281 Cb 0.30 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.30 2piy s LEU 281 CO -0.20 -0.67 1.36 -2.65 -1.32 0.00 0.00 176.35 172.86 2piy n PRO 282 N 3.80 2.18 0.21 0.98 -0.02 -1.26 -4.86 135.00 136.03 2piy n PRO 282 Ca 0.11 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 2piy n PRO 282 Cb 0.42 -2.50 0.81 0.00 -0.02 0.00 0.00 33.50 32.21 2piy n PRO 282 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2piy h GLU 283 N 2.36 0.00 0.00 -0.52 5.08 -1.92 -0.68 114.58 118.90 2piy h GLU 283 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2piy h GLU 283 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2piy h GLU 283 CO 0.61 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.49 2piy n SER 284 N -3.97 0.36 -0.79 1.42 3.41 -1.26 -1.93 113.62 110.85 2piy n SER 284 Ca 0.01 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 2piy n SER 284 Cb 0.27 -0.68 0.08 0.00 -0.26 0.00 0.00 64.21 63.62 2piy n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2piy n GLN 285 N -1.93 1.83 0.03 4.33 6.02 -0.26 -4.61 117.38 122.80 2piy n GLN 285 Ca 0.01 -1.66 -0.12 0.00 -0.01 0.00 0.00 57.00 55.22 2piy n GLN 285 Cb 0.12 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 2piy n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2piy h ILE 286 N 3.90 1.04 -0.00 5.09 2.04 -1.48 -1.32 117.51 126.78 2piy h ILE 286 Ca 0.00 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2piy h ILE 286 Cb 0.84 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2piy h ILE 286 CO 0.00 0.03 -0.07 -0.61 0.00 0.00 0.00 178.15 177.50 2piy h GLN 287 N -0.01 -0.12 -0.49 2.37 -0.00 -1.81 -0.34 115.11 114.70 2piy h GLN 287 Ca 0.01 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 2piy h GLN 287 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 2piy h GLN 287 CO -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 178.83 178.58 2piy h ALA 288 N 0.87 0.68 -0.29 3.38 0.00 -1.84 -0.71 119.26 121.36 2piy h ALA 288 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2piy h ALA 288 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2piy h ALA 288 CO -0.07 0.64 0.19 1.15 0.00 0.00 0.00 179.25 181.15 2piy h THR 289 N 0.84 1.08 -0.47 0.00 2.02 -1.08 -2.33 112.91 112.97 2piy h THR 289 Ca 0.12 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2piy h THR 289 Cb 0.74 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2piy h THR 289 CO 0.06 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.93 2piy h GLU 291 N 0.74 1.03 -0.16 0.00 5.08 -1.03 -0.32 114.58 119.91 2piy h GLU 291 Ca 0.12 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 2piy h GLU 291 Cb 0.64 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2piy h GLU 291 CO 0.04 0.93 -0.58 1.05 -1.00 0.00 0.00 179.01 179.46 2piy h GLU 292 N 0.95 0.49 -0.52 2.33 4.11 -1.41 -2.94 114.58 117.59 2piy h GLU 292 Ca 0.20 -0.32 -0.06 0.00 0.07 0.00 0.00 59.36 59.25 2piy h GLU 292 Cb 0.36 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2piy h GLU 292 CO 0.00 0.93 0.07 1.15 0.07 0.00 0.00 179.01 181.23 2piy h THR 293 N 0.37 1.23 -0.99 -1.06 2.02 -1.06 -2.48 112.91 110.94 2piy h THR 293 Ca 0.00 -0.91 0.13 0.00 0.77 0.00 0.00 66.41 66.40 2piy h THR 293 Cb 1.11 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 2piy h THR 293 CO 0.10 0.33 0.62 0.24 0.37 0.00 0.00 175.52 177.19 2piy h MET 294 N 0.78 0.92 -0.75 6.66 2.86 -0.88 -1.17 114.93 123.35 2piy h MET 294 Ca 0.16 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2piy h MET 294 Cb 0.37 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2piy h MET 294 CO 0.01 0.61 0.23 -0.07 1.06 0.00 0.00 176.91 178.74 2piy h LEU 295 N 0.94 1.10 -0.30 1.22 3.38 -1.39 0.97 115.31 121.23 2piy h LEU 295 Ca 0.50 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2piy h LEU 295 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2piy h LEU 295 CO -0.26 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.13 2piy h ALA 296 N 1.12 0.42 -0.56 1.53 0.00 -1.35 -1.05 119.26 119.38 2piy h ALA 296 Ca 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2piy h ALA 296 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2piy h ALA 296 CO -0.01 0.33 0.22 0.82 0.00 0.00 0.00 179.25 180.61 2piy h ILE 297 N 0.39 1.22 -0.32 0.00 1.08 -0.94 -1.45 117.51 117.49 2piy h ILE 297 Ca 0.07 -0.71 -0.09 0.00 -0.39 0.00 0.00 64.86 63.74 2piy h ILE 297 Cb 0.69 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2piy h ILE 297 CO 0.05 0.27 -0.18 0.11 -0.69 0.00 0.00 178.15 177.71 2piy h LYS 298 N 0.77 0.58 -0.34 2.37 1.57 -0.80 -0.72 116.57 120.00 2piy h LYS 298 Ca 0.19 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2piy h LYS 298 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2piy h LYS 298 CO -0.01 0.73 0.16 -0.92 -0.57 0.00 0.00 179.45 178.84 2piy h TYR 299 N 0.52 0.49 -0.78 -1.35 3.20 -0.81 -0.57 116.97 117.67 2piy h TYR 299 Ca 0.09 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2piy h TYR 299 Cb 0.60 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 2piy h TYR 299 CO 0.02 0.42 0.27 0.28 -1.64 0.00 0.00 178.16 177.52 2piy h VAL 300 N 0.41 1.26 -0.35 1.81 2.07 -1.10 -2.15 116.25 118.21 2piy h VAL 300 Ca 0.12 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2piy h VAL 300 Cb 0.12 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2piy h VAL 300 CO -0.01 0.35 0.18 0.74 0.02 0.00 0.00 177.57 178.85 2piy h THR 301 N 1.14 1.15 -0.62 2.57 2.02 -0.84 -1.14 112.91 117.19 2piy h THR 301 Ca 0.25 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2piy h THR 301 Cb 0.27 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2piy h THR 301 CO -0.01 0.15 0.27 -1.13 0.37 0.00 0.00 175.52 175.17 2piy h ASN 302 N 0.43 0.82 -0.22 4.18 -1.24 -0.99 -1.57 115.58 116.99 2piy h ASN 302 Ca 0.12 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 2piy h ASN 302 Cb 0.08 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2piy h ASN 302 CO -0.02 0.72 0.06 0.22 -1.29 0.00 0.00 177.43 177.12 2piy h TYR 303 N 0.89 0.36 -0.71 0.67 3.20 -1.02 -2.72 116.97 117.64 2piy h TYR 303 Ca 0.21 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2piy h TYR 303 Cb 0.14 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2piy h TYR 303 CO 0.01 0.44 0.46 0.28 -1.64 0.00 0.00 178.16 177.71 2piy h VAL 304 N 0.17 1.15 -0.38 1.81 2.07 -0.87 -0.79 116.25 119.41 2piy h VAL 304 Ca 0.07 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2piy h VAL 304 Cb 0.26 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2piy h VAL 304 CO -0.00 0.17 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 2piy h LEU 305 N 0.92 0.19 -0.53 2.57 3.38 -1.19 -0.65 115.31 120.01 2piy h LEU 305 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2piy h LEU 305 Cb -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2piy h LEU 305 CO -0.08 0.12 -0.07 0.61 0.09 0.00 0.00 178.44 179.12 2piy n GLY 306 N -1.55 -0.51 2.59 0.83 0.00 -0.35 -3.95 105.19 102.25 2piy n GLY 306 Ca 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2piy n GLY 306 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2piy n HIS 307 N -0.45 1.77 1.77 1.61 8.25 -0.27 -5.09 115.22 122.82 2piy n HIS 307 Ca 0.18 -2.46 0.15 0.00 -0.26 0.00 0.00 57.72 55.32 2piy n HIS 307 Cb 0.29 -0.27 0.75 0.00 1.12 0.00 0.00 29.99 31.88 2piy n HIS 307 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26