#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcz s ASP 3 N 0.00 6.57 0.05 4.52 2.15 -1.26 -4.89 116.67 123.81 1pcz s ASP 3 Ca 0.00 -3.33 0.06 0.00 0.43 0.00 0.00 52.55 49.71 1pcz s ASP 3 Cb 0.00 -2.08 0.29 0.00 -0.30 0.00 0.00 42.92 40.83 1pcz s ASP 3 CO 0.00 -0.33 1.19 0.80 -0.17 0.00 0.00 175.17 176.66 1pcz n MET 4 N 2.99 0.02 0.11 4.34 0.00 -1.26 -3.47 117.12 119.85 1pcz n MET 4 Ca 0.19 0.47 0.20 0.00 -0.00 0.00 0.00 57.70 58.56 1pcz n MET 4 Cb 0.40 -1.57 0.75 0.00 0.00 0.00 0.00 33.22 32.80 1pcz n MET 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1pcz h SER 5 N 0.00 0.00 -0.17 6.12 4.64 -1.95 0.12 113.55 122.31 1pcz h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pcz h SER 5 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1pcz h SER 5 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1pcz n LYS 6 N -3.72 1.67 -3.01 4.77 5.02 -1.23 -4.94 118.16 116.73 1pcz n LYS 6 Ca 0.06 -1.57 -0.41 0.00 -2.02 0.00 0.00 58.31 54.37 1pcz n LYS 6 Cb 0.58 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.31 1pcz n LYS 6 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pcz s VAL 7 N -0.94 4.94 0.17 -0.18 1.01 0.03 -3.36 120.40 122.08 1pcz s VAL 7 Ca 0.17 1.39 0.11 0.00 0.00 0.00 0.00 61.98 63.64 1pcz s VAL 7 Cb 0.10 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1pcz s VAL 7 CO 0.14 0.05 -0.24 -0.54 0.00 0.00 0.00 175.10 174.50 1pcz s LYS 8 N 2.20 1.44 -0.16 2.72 1.02 -0.03 -4.98 119.74 121.95 1pcz s LYS 8 Ca 0.32 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 1pcz s LYS 8 Cb -0.16 -1.78 0.06 0.00 -0.52 0.00 0.00 37.83 35.43 1pcz s LYS 8 CO 0.10 0.40 0.36 -0.51 -0.92 0.00 0.00 175.35 174.77 1pcz s LEU 9 N -2.45 -0.14 -0.05 3.17 1.43 -1.26 -2.19 118.68 117.19 1pcz s LEU 9 Ca 0.17 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1pcz s LEU 9 Cb -0.08 1.13 0.02 0.00 0.03 0.00 0.00 46.19 47.28 1pcz s LEU 9 CO 0.08 -0.20 -0.08 0.00 0.23 0.00 0.00 176.35 176.38 1pcz s ARG 10 N 1.79 1.18 0.06 1.70 1.70 0.13 -4.94 118.95 120.57 1pcz s ARG 10 Ca -0.06 -0.23 -0.35 0.00 -0.47 0.00 0.00 55.73 54.62 1pcz s ARG 10 Cb -0.10 -1.07 -0.14 0.00 -0.57 0.00 0.00 34.95 33.07 1pcz s ARG 10 CO -0.11 -0.03 1.60 1.51 -1.08 0.00 0.00 175.30 177.18 1pcz n ILE 11 N 3.94 0.14 -0.06 4.99 0.13 -1.26 -0.81 119.36 126.43 1pcz n ILE 11 Ca -0.24 -0.02 -0.06 0.00 -1.10 0.00 0.00 62.75 61.32 1pcz n ILE 11 Cb 0.51 -1.43 -0.09 0.00 -0.84 0.00 0.00 39.64 37.80 1pcz n ILE 11 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1pcz n GLU 12 N 4.00 1.88 -3.58 9.51 -0.58 0.18 -4.81 120.64 127.24 1pcz n GLU 12 Ca 0.19 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 1pcz n GLU 12 Cb 0.26 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 1pcz n GLU 12 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1pcz s ASN 13 N -4.54 -0.52 -0.05 1.62 2.47 -0.86 -4.71 114.94 108.35 1pcz s ASN 13 Ca -0.08 0.74 0.02 0.00 0.42 0.00 0.00 52.86 53.96 1pcz s ASN 13 Cb 0.04 0.67 0.02 0.00 -1.45 0.00 0.00 41.25 40.52 1pcz s ASN 13 CO 0.44 -0.35 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.76 1pcz s ILE 14 N -0.60 0.80 -0.14 -5.21 1.01 0.17 -0.41 121.20 116.83 1pcz s ILE 14 Ca -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1pcz s ILE 14 Cb -0.02 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1pcz s ILE 14 CO 0.02 0.28 -0.21 -0.69 0.00 0.00 0.00 174.94 174.34 1pcz s VAL 15 N 0.81 2.21 -0.03 2.92 1.01 0.10 -3.21 120.40 124.21 1pcz s VAL 15 Ca -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1pcz s VAL 15 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1pcz s VAL 15 CO 0.02 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.42 1pcz s ALA 16 N 0.74 2.25 -0.16 5.51 0.00 -0.47 0.16 121.76 129.78 1pcz s ALA 16 Ca -0.08 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 1pcz s ALA 16 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1pcz s ALA 16 CO 0.00 0.53 0.70 -1.12 0.00 0.00 0.00 175.76 175.87 1pcz s SER 17 N -0.61 6.83 0.04 0.00 0.01 0.15 -0.82 113.70 119.31 1pcz s SER 17 Ca 0.10 1.01 0.09 0.00 1.31 0.00 0.00 55.95 58.45 1pcz s SER 17 Cb -0.10 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1pcz s SER 17 CO -0.01 -0.26 -0.25 -0.69 0.41 0.00 0.00 173.24 172.44 1pcz s VAL 18 N 1.68 2.01 -0.20 3.43 1.01 0.13 -1.21 120.40 127.24 1pcz s VAL 18 Ca 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1pcz s VAL 18 Cb -0.16 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.55 1pcz s VAL 18 CO 0.13 0.33 -0.06 -0.62 0.00 0.00 0.00 175.10 174.88 1pcz s ASP 19 N -1.19 3.41 0.34 3.32 -1.08 -0.68 0.90 116.67 121.69 1pcz s ASP 19 Ca 0.11 -0.94 0.20 0.00 -0.52 0.00 0.00 52.55 51.40 1pcz s ASP 19 Cb -0.10 -1.10 0.19 0.00 -1.46 0.00 0.00 42.92 40.45 1pcz s ASP 19 CO 0.02 -0.20 1.43 -0.07 0.52 0.00 0.00 175.17 176.88 1pcz h LEU 20 N 8.01 0.00 -2.52 -1.34 3.38 -0.83 0.84 115.31 122.86 1pcz h LEU 20 Ca -0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1pcz h LEU 20 Cb 1.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.91 1pcz h LEU 20 CO 0.43 0.16 -0.37 0.49 0.09 0.00 0.00 178.44 179.24 1pcz n PHE 21 N -3.06 -2.72 -3.16 1.13 3.72 -1.26 -4.32 117.46 107.80 1pcz n PHE 21 Ca 0.02 1.00 0.05 0.00 -0.05 0.00 0.00 57.45 58.47 1pcz n PHE 21 Cb 0.60 -4.01 -0.02 0.00 -0.94 0.00 0.00 39.48 35.12 1pcz n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pcz s ALA 22 N -3.14 -3.69 0.52 4.37 0.00 -1.26 0.02 121.76 118.59 1pcz s ALA 22 Ca 0.16 1.38 -0.22 0.00 0.00 0.00 0.00 51.96 53.28 1pcz s ALA 22 Cb -0.03 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 1pcz s ALA 22 CO 0.76 -1.43 1.29 0.94 0.00 0.00 0.00 175.76 177.31 1pcz n GLN 23 N 5.40 1.65 -4.47 0.00 -0.06 -1.26 -2.94 117.38 115.70 1pcz n GLN 23 Ca -0.08 0.60 -0.25 0.00 -2.00 0.00 0.00 57.00 55.27 1pcz n GLN 23 Cb 0.54 -2.47 -0.13 0.00 -4.06 0.00 0.00 30.24 24.12 1pcz n GLN 23 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1pcz s LEU 24 N -2.81 2.23 -0.69 1.69 1.43 0.54 -4.82 118.68 116.24 1pcz s LEU 24 Ca 0.69 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1pcz s LEU 24 Cb -0.44 -0.92 0.18 0.00 0.03 0.00 0.00 46.19 45.04 1pcz s LEU 24 CO 0.51 0.11 0.64 -0.62 0.23 0.00 0.00 176.35 177.22 1pcz s ASP 25 N -1.51 6.48 0.41 2.29 2.15 -1.26 -4.54 116.67 120.70 1pcz s ASP 25 Ca 0.07 -2.26 0.17 0.00 0.43 0.00 0.00 52.55 50.96 1pcz s ASP 25 Cb -0.09 -2.21 1.07 0.00 -0.30 0.00 0.00 42.92 41.39 1pcz s ASP 25 CO 0.03 -0.71 1.84 -0.07 -0.17 0.00 0.00 175.17 176.09 1pcz h LEU 26 N 8.32 0.43 -1.42 -1.34 4.07 -1.93 0.42 115.31 123.85 1pcz h LEU 26 Ca -0.09 0.05 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1pcz h LEU 26 Cb 1.07 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 1pcz h LEU 26 CO 0.89 0.16 0.42 -0.33 -1.08 0.00 0.00 178.44 178.50 1pcz h GLU 27 N 0.42 0.73 0.08 1.13 4.39 -2.00 0.32 114.58 119.65 1pcz h GLU 27 Ca 0.49 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 60.02 1pcz h GLU 27 Cb 1.21 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1pcz h GLU 27 CO -0.20 0.49 -0.60 0.87 -1.16 0.00 0.00 179.01 178.40 1pcz h LYS 28 N 0.76 0.16 -1.03 2.33 1.79 -0.76 -3.28 116.57 116.54 1pcz h LYS 28 Ca 0.26 -0.28 0.27 0.00 -2.18 0.00 0.00 60.65 58.71 1pcz h LYS 28 Cb 0.08 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1pcz h LYS 28 CO -0.07 1.13 0.68 0.28 -1.08 0.00 0.00 179.45 180.39 1pcz h VAL 29 N -0.64 0.53 -0.87 0.50 2.07 0.12 0.36 116.25 118.32 1pcz h VAL 29 Ca -0.12 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.47 1pcz h VAL 29 Cb 1.39 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1pcz h VAL 29 CO 0.06 0.06 0.58 -0.07 0.02 0.00 0.00 177.57 178.22 1pcz h LEU 30 N 0.35 0.42 -1.09 2.57 3.38 -0.45 0.35 115.31 120.84 1pcz h LEU 30 Ca 0.57 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.61 1pcz h LEU 30 Cb 1.54 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 1pcz h LEU 30 CO -0.24 0.18 0.62 0.44 0.09 0.00 0.00 178.44 179.53 1pcz h ASP 31 N 0.43 1.02 1.13 -0.43 3.32 -0.43 -0.48 116.42 120.98 1pcz h ASP 31 Ca 0.45 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1pcz h ASP 31 Cb 1.07 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pcz h ASP 31 CO -0.17 0.71 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.92 1pcz h LEU 32 N 1.19 0.00 -8.28 1.55 -0.00 -0.40 -3.41 115.31 105.95 1pcz h LEU 32 Ca 0.37 0.00 -0.70 0.00 -0.00 0.00 0.00 57.88 57.55 1pcz h LEU 32 Cb -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 40.39 1pcz h LEU 32 CO -0.11 0.06 -0.56 0.00 -0.00 0.00 0.00 178.44 177.83 1pcz s PRO 34 N 1.48 4.01 0.00 0.00 0.02 -1.26 -2.17 135.00 137.07 1pcz s PRO 34 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1pcz s PRO 34 Cb -0.19 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.20 1pcz s PRO 34 CO 0.05 -1.08 0.00 0.09 -0.33 0.00 0.00 177.00 175.72 1pcz n ASN 35 N 7.97 -0.46 -4.76 2.53 3.02 -1.26 -4.79 115.26 117.50 1pcz n ASN 35 Ca 0.20 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.39 1pcz n ASN 35 Cb 0.42 -1.21 0.02 0.00 -0.61 0.00 0.00 39.78 38.40 1pcz n ASN 35 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pcz s SER 36 N -2.49 5.45 0.07 6.41 0.15 -0.92 -5.01 113.70 117.35 1pcz s SER 36 Ca 0.00 2.40 0.05 0.00 0.70 0.00 0.00 55.95 59.11 1pcz s SER 36 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1pcz s SER 36 CO 0.00 -1.42 -0.15 -0.54 1.20 0.00 0.00 173.24 172.33 1pcz s LYS 37 N -3.15 0.85 -0.23 5.44 -0.14 -1.26 -5.02 119.74 116.23 1pcz s LYS 37 Ca 0.74 -0.96 0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1pcz s LYS 37 Cb -0.31 -0.87 0.05 0.00 -1.68 0.00 0.00 37.83 35.02 1pcz s LYS 37 CO 0.35 0.20 -0.13 -0.47 -0.76 0.00 0.00 175.35 174.53 1pcz s TYR 38 N -1.24 3.00 -0.43 3.18 5.04 -1.26 -4.46 117.35 121.17 1pcz s TYR 38 Ca -0.01 -2.03 0.02 0.00 -2.44 0.00 0.00 57.07 52.61 1pcz s TYR 38 Cb -0.10 -1.88 0.15 0.00 0.35 0.00 0.00 41.96 40.48 1pcz s TYR 38 CO 0.02 -0.84 0.27 -0.80 -1.34 0.00 0.00 175.55 172.86 1pcz s ASN 39 N 1.20 3.08 0.63 4.32 0.01 -1.26 -5.00 114.94 117.92 1pcz s ASN 39 Ca -0.04 -2.67 0.30 0.00 -0.71 0.00 0.00 52.86 49.73 1pcz s ASN 39 Cb -0.18 -0.76 1.61 0.00 0.41 0.00 0.00 41.25 42.33 1pcz s ASN 39 CO -0.08 -0.25 1.95 1.55 -1.51 0.00 0.00 177.10 178.77 1pcz h PRO 40 N 6.49 0.00 -0.01 -0.60 0.13 -1.87 0.49 132.00 136.63 1pcz h PRO 40 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1pcz h PRO 40 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1pcz h PRO 40 CO 0.41 0.00 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.24 1pcz n GLU 41 N -3.26 1.19 -0.11 0.86 0.00 -1.26 -3.63 120.64 114.42 1pcz n GLU 41 Ca 0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 57.16 56.38 1pcz n GLU 41 Cb 0.45 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.32 1pcz n GLU 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1pcz n GLU 42 N -0.39 0.48 -3.65 3.44 4.07 0.15 -5.01 120.64 119.72 1pcz n GLU 42 Ca 0.17 0.17 -0.09 0.00 -0.06 0.00 0.00 57.16 57.35 1pcz n GLU 42 Cb 0.31 -1.32 -0.08 0.00 -0.06 0.00 0.00 31.44 30.29 1pcz n GLU 42 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1pcz s PHE 43 N -2.40 -0.90 0.49 4.31 5.36 0.10 -5.05 117.98 119.90 1pcz s PHE 43 Ca -0.29 1.88 0.27 0.00 -0.96 0.00 0.00 56.93 57.82 1pcz s PHE 43 Cb 0.10 0.48 1.55 0.00 -0.34 0.00 0.00 43.02 44.81 1pcz s PHE 43 CO 0.41 -0.45 2.14 -1.00 -1.46 0.00 0.00 175.22 174.87 1pcz h PRO 44 N 6.59 0.00 0.00 10.12 0.13 -1.81 -3.23 132.00 143.81 1pcz h PRO 44 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1pcz h PRO 44 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pcz h PRO 44 CO 0.17 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.43 1pcz n GLY 45 N -1.01 2.64 3.33 1.56 0.00 -1.26 -4.72 105.19 105.73 1pcz n GLY 45 Ca -0.02 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 1pcz n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pcz s ILE 46 N 0.86 1.94 -0.51 -0.61 -4.36 -0.07 -4.62 121.20 113.82 1pcz s ILE 46 Ca 0.00 -1.62 -0.18 0.00 -0.26 0.00 0.00 60.65 58.59 1pcz s ILE 46 Cb 0.00 -1.74 0.07 0.00 1.25 0.00 0.00 42.46 42.05 1pcz s ILE 46 CO 0.00 0.01 0.58 -0.63 0.24 0.00 0.00 174.94 175.15 1pcz s ILE 47 N -1.11 4.96 -0.33 8.37 1.01 -1.26 -0.67 121.20 132.18 1pcz s ILE 47 Ca 0.10 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1pcz s ILE 47 Cb -0.10 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1pcz s ILE 47 CO 0.05 -0.81 0.50 0.00 0.00 0.00 0.00 174.94 174.68 1pcz s HIS 49 N 2.36 3.31 0.00 0.00 3.76 -1.26 0.59 115.29 124.06 1pcz s HIS 49 Ca 0.19 0.54 -0.09 0.00 -0.15 0.00 0.00 55.06 55.55 1pcz s HIS 49 Cb -0.15 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 1pcz s HIS 49 CO 0.12 -0.12 0.30 -0.51 -0.85 0.00 0.00 174.74 173.68 1pcz s LEU 50 N 1.70 4.39 -0.02 0.89 1.02 -0.05 -4.65 118.68 121.96 1pcz s LEU 50 Ca 0.18 0.66 0.19 0.00 0.02 0.00 0.00 54.13 55.18 1pcz s LEU 50 Cb -0.15 -2.63 -0.21 0.00 0.02 0.00 0.00 46.19 43.22 1pcz s LEU 50 CO 0.09 0.27 0.55 0.47 0.02 0.00 0.00 176.35 177.75 1pcz n ASP 51 N 1.32 0.39 -3.49 2.29 9.92 -1.26 -2.68 116.55 123.04 1pcz n ASP 51 Ca -0.12 0.17 -0.22 0.00 -0.53 0.00 0.00 54.79 54.09 1pcz n ASP 51 Cb 0.53 0.93 -0.13 0.00 -0.64 0.00 0.00 41.12 41.82 1pcz n ASP 51 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pcz s ASP 52 N -5.30 2.19 0.67 -2.24 -1.08 -1.26 -2.47 116.67 107.19 1pcz s ASP 52 Ca -0.06 -0.74 -0.11 0.00 -0.52 0.00 0.00 52.55 51.12 1pcz s ASP 52 Cb 0.10 0.15 -0.01 0.00 -1.46 0.00 0.00 42.92 41.70 1pcz s ASP 52 CO 0.84 -0.38 1.05 -2.16 0.52 0.00 0.00 175.17 175.04 1pcz s PRO 53 N 2.25 3.13 -0.53 4.34 0.04 -1.26 -4.90 135.00 138.07 1pcz s PRO 53 Ca 0.08 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1pcz s PRO 53 Cb -0.15 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1pcz s PRO 53 CO -0.26 -0.93 1.79 0.21 0.04 0.00 0.00 177.00 177.85 1pcz s LYS 54 N -5.11 2.89 0.09 4.56 2.20 -1.03 -4.42 119.74 118.92 1pcz s LYS 54 Ca 0.57 0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 56.85 1pcz s LYS 54 Cb -0.13 -4.31 0.02 0.00 -1.51 0.00 0.00 37.83 31.90 1pcz s LYS 54 CO 0.55 -2.41 0.31 0.08 -0.36 0.00 0.00 175.35 173.51 1pcz s VAL 55 N 8.17 0.10 -0.06 4.02 1.01 -1.09 -4.45 120.40 128.09 1pcz s VAL 55 Ca 0.69 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1pcz s VAL 55 Cb -0.15 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1pcz s VAL 55 CO 0.25 -0.44 -0.14 0.00 0.00 0.00 0.00 175.10 174.76 1pcz s ALA 56 N -3.47 1.38 -0.16 5.51 0.00 0.27 -0.87 121.76 124.42 1pcz s ALA 56 Ca 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1pcz s ALA 56 Cb 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1pcz s ALA 56 CO -0.09 0.16 -0.02 -0.51 0.00 0.00 0.00 175.76 175.29 1pcz s LEU 57 N 0.53 3.33 -0.59 0.00 1.43 0.20 0.04 118.68 123.61 1pcz s LEU 57 Ca -0.13 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1pcz s LEU 57 Cb -0.15 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.36 1pcz s LEU 57 CO 0.04 0.17 0.71 -0.76 0.23 0.00 0.00 176.35 176.74 1pcz s LEU 58 N 0.36 5.33 -0.20 1.79 1.43 0.45 0.45 118.68 128.29 1pcz s LEU 58 Ca -0.03 -1.38 -0.15 0.00 -1.03 0.00 0.00 54.13 51.53 1pcz s LEU 58 Cb -0.14 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1pcz s LEU 58 CO 0.03 -1.11 0.36 -0.63 0.23 0.00 0.00 176.35 175.22 1pcz s ILE 59 N 2.73 5.23 0.20 -0.59 1.01 0.16 -0.64 121.20 129.30 1pcz s ILE 59 Ca 0.12 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1pcz s ILE 59 Cb -0.24 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1pcz s ILE 59 CO 0.07 0.27 0.17 -0.36 0.00 0.00 0.00 174.94 175.09 1pcz s PHE 60 N 1.21 3.14 0.36 3.97 0.08 -0.45 -0.90 117.98 125.39 1pcz s PHE 60 Ca 0.17 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.22 1pcz s PHE 60 Cb -0.14 -1.46 0.73 0.00 -0.57 0.00 0.00 43.02 41.57 1pcz s PHE 60 CO 0.07 0.52 1.96 0.66 -0.10 0.00 0.00 175.22 178.33 1pcz h SER 61 N 1.98 0.68 0.04 1.36 4.64 -1.83 -0.52 113.55 119.89 1pcz h SER 61 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1pcz h SER 61 Cb 1.22 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1pcz h SER 61 CO 0.62 0.44 0.00 -1.54 -0.87 0.00 0.00 176.83 175.48 1pcz n SER 62 N -4.48 0.00 0.00 4.97 3.41 -1.26 0.20 113.62 116.46 1pcz n SER 62 Ca 0.11 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1pcz n SER 62 Cb 0.22 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1pcz n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pcz n GLY 63 N -1.31 1.85 3.78 5.00 0.00 -0.20 -4.19 105.19 110.12 1pcz n GLY 63 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1pcz n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcz s LYS 64 N -0.30 4.47 0.27 1.61 1.02 -1.26 -0.10 119.74 125.46 1pcz s LYS 64 Ca 0.00 1.37 -0.07 0.00 0.02 0.00 0.00 55.97 57.28 1pcz s LYS 64 Cb 0.00 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1pcz s LYS 64 CO 0.00 0.17 0.41 -0.48 -0.92 0.00 0.00 175.35 174.53 1pcz s LEU 65 N -2.24 0.70 -0.09 3.17 0.05 0.26 -1.34 118.68 119.19 1pcz s LEU 65 Ca 0.52 -1.20 -0.01 0.00 0.05 0.00 0.00 54.13 53.49 1pcz s LEU 65 Cb -0.19 1.42 0.03 0.00 -2.05 0.00 0.00 46.19 45.40 1pcz s LEU 65 CO 0.24 -1.14 -0.02 -0.69 -0.55 0.00 0.00 176.35 174.19 1pcz s VAL 66 N -3.71 0.57 -0.20 1.48 1.01 0.18 0.18 120.40 119.91 1pcz s VAL 66 Ca 0.28 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 1pcz s VAL 66 Cb 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1pcz s VAL 66 CO 0.13 0.27 0.80 -0.69 0.00 0.00 0.00 175.10 175.62 1pcz s VAL 67 N 1.89 4.88 0.12 2.92 1.01 0.00 -0.41 120.40 130.82 1pcz s VAL 67 Ca 0.05 1.54 0.06 0.00 0.00 0.00 0.00 61.98 63.62 1pcz s VAL 67 Cb -0.13 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1pcz s VAL 67 CO -0.06 -0.00 -0.14 0.42 0.00 0.00 0.00 175.10 175.31 1pcz s THR 68 N 2.41 1.33 0.00 3.92 -4.23 0.11 -1.36 115.64 117.82 1pcz s THR 68 Ca 0.35 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1pcz s THR 68 Cb -0.16 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1pcz s THR 68 CO 0.10 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1pcz n GLY 69 N 0.52 0.46 3.81 3.99 0.00 -1.26 -0.57 105.19 112.14 1pcz n GLY 69 Ca -0.15 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1pcz n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcz s ALA 70 N -2.00 3.54 -0.70 4.61 0.00 -1.20 -4.54 121.76 121.47 1pcz s ALA 70 Ca 0.00 0.08 0.20 0.00 0.00 0.00 0.00 51.96 52.23 1pcz s ALA 70 Cb 0.00 -2.69 -0.24 0.00 0.00 0.00 0.00 23.12 20.19 1pcz s ALA 70 CO 0.00 0.38 0.74 1.63 0.00 0.00 0.00 175.76 178.51 1pcz n LYS 71 N 1.40 0.55 -3.83 0.00 4.76 -1.26 0.46 118.16 120.24 1pcz n LYS 71 Ca -0.08 -0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.22 1pcz n LYS 71 Cb 0.51 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 1pcz n LYS 71 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1pcz s SER 72 N -3.22 -0.03 0.45 4.39 1.04 -1.26 -4.81 113.70 110.27 1pcz s SER 72 Ca 0.04 -0.63 0.19 0.00 0.48 0.00 0.00 55.95 56.03 1pcz s SER 72 Cb 0.14 0.43 1.07 0.00 0.10 0.00 0.00 66.02 67.76 1pcz s SER 72 CO 0.81 -0.84 1.96 0.58 0.98 0.00 0.00 173.24 176.73 1pcz h VAL 73 N 2.54 0.93 -0.56 5.02 2.07 -1.98 -2.03 116.25 122.23 1pcz h VAL 73 Ca -0.33 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 1pcz h VAL 73 Cb 1.23 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1pcz h VAL 73 CO 0.50 0.22 -0.07 -0.61 0.02 0.00 0.00 177.57 177.63 1pcz h GLN 74 N 0.00 1.03 -0.69 1.57 4.15 -1.99 -1.55 115.11 117.63 1pcz h GLN 74 Ca -0.00 -0.36 0.05 0.00 0.77 0.00 0.00 58.65 59.10 1pcz h GLN 74 Cb 0.46 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 1pcz h GLN 74 CO 0.03 1.05 0.41 -0.44 -1.93 0.00 0.00 178.83 177.95 1pcz h ASP 75 N 0.91 0.64 -0.10 -0.69 5.19 -1.76 0.25 116.42 120.86 1pcz h ASP 75 Ca 0.15 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1pcz h ASP 75 Cb 0.63 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1pcz h ASP 75 CO 0.04 0.43 0.05 0.40 -3.12 0.00 0.00 179.24 177.04 1pcz h ILE 76 N 0.77 1.09 0.60 0.35 2.04 -1.29 0.18 117.51 121.25 1pcz h ILE 76 Ca 0.30 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1pcz h ILE 76 Cb 0.12 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pcz h ILE 76 CO -0.15 0.08 -0.29 -0.33 0.00 0.00 0.00 178.15 177.46 1pcz h GLU 77 N 0.06 -0.78 -0.55 2.37 4.39 -0.88 -0.10 114.58 119.09 1pcz h GLU 77 Ca 0.03 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.89 1pcz h GLU 77 Cb 0.08 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1pcz h GLU 77 CO -0.01 -0.50 0.37 0.00 -1.16 0.00 0.00 179.01 177.72 1pcz h ARG 78 N -0.87 0.28 -0.09 2.33 3.08 -0.48 -1.57 114.38 117.07 1pcz h ARG 78 Ca -0.08 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1pcz h ARG 78 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1pcz h ARG 78 CO 0.14 0.19 -0.35 0.00 -1.07 0.00 0.00 179.97 178.87 1pcz h ALA 79 N 1.72 0.16 -0.59 0.04 0.00 -0.10 0.00 119.26 120.50 1pcz h ALA 79 Ca 0.26 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1pcz h ALA 79 Cb 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1pcz h ALA 79 CO -0.06 0.23 0.07 0.28 0.00 0.00 0.00 179.25 179.77 1pcz h VAL 80 N -0.07 1.25 0.49 0.00 2.07 -0.75 -1.19 116.25 118.05 1pcz h VAL 80 Ca -0.02 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1pcz h VAL 80 Cb 0.99 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1pcz h VAL 80 CO 0.07 0.37 -0.24 0.00 0.02 0.00 0.00 177.57 177.80 1pcz h ALA 81 N 1.16 -0.90 -1.10 1.67 0.00 -1.27 -0.01 119.26 118.81 1pcz h ALA 81 Ca 0.18 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.25 1pcz h ALA 81 Cb 0.44 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1pcz h ALA 81 CO 0.01 -0.85 0.75 -0.22 0.00 0.00 0.00 179.25 178.94 1pcz h LYS 82 N -0.85 0.21 0.42 0.00 3.64 -1.00 0.26 116.57 119.25 1pcz h LYS 82 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1pcz h LYS 82 Cb 0.50 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1pcz h LYS 82 CO 0.11 0.14 -0.20 1.25 -2.27 0.00 0.00 179.45 178.48 1pcz h LEU 83 N 0.22 -0.48 -2.12 5.20 7.12 -1.09 -2.22 115.31 121.94 1pcz h LEU 83 Ca 0.59 -0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.63 1pcz h LEU 83 Cb 1.85 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 42.09 1pcz h LEU 83 CO -0.19 -0.04 0.27 0.00 -0.13 0.00 0.00 178.44 178.35 1pcz h ALA 84 N -0.97 2.02 0.61 1.25 0.00 0.11 0.13 119.26 122.41 1pcz h ALA 84 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pcz h ALA 84 Cb 0.50 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pcz h ALA 84 CO 0.09 -0.41 -0.29 0.37 0.00 0.00 0.00 179.25 179.01 1pcz h GLN 85 N 0.00 -0.79 -0.70 0.00 4.15 -0.56 -1.42 115.11 115.79 1pcz h GLN 85 Ca 0.13 0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.74 1pcz h GLN 85 Cb 0.67 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1pcz h GLN 85 CO -0.00 -0.47 0.47 0.87 -1.93 0.00 0.00 178.83 177.76 1pcz h LYS 86 N -1.08 0.40 -0.21 1.69 1.57 -0.26 0.19 116.57 118.86 1pcz h LYS 86 Ca -0.08 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1pcz h LYS 86 Cb 0.68 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1pcz h LYS 86 CO 0.14 0.26 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.80 1pcz h LEU 87 N 0.41 0.73 -0.91 2.94 4.07 -0.65 -2.87 115.31 119.04 1pcz h LEU 87 Ca 0.34 -0.54 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 1pcz h LEU 87 Cb 0.74 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1pcz h LEU 87 CO -0.10 1.14 -0.23 0.11 -1.08 0.00 0.00 178.44 178.28 1pcz h LYS 88 N 0.35 0.54 0.00 1.13 1.57 -0.34 -0.11 116.57 119.71 1pcz h LYS 88 Ca 0.01 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1pcz h LYS 88 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1pcz h LYS 88 CO 0.09 0.73 0.00 -1.13 -0.57 0.00 0.00 179.45 178.58 1pcz n SER 89 N -4.13 0.00 0.00 0.86 3.41 -0.03 0.38 113.62 114.11 1pcz n SER 89 Ca -0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1pcz n SER 89 Cb 0.40 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1pcz n SER 89 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1pcz n ILE 90 N -1.25 0.66 -0.08 -1.33 -5.35 -0.53 -5.02 119.36 106.46 1pcz n ILE 90 Ca 0.02 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1pcz n ILE 90 Cb 0.03 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1pcz n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pcz n GLY 91 N -0.33 0.96 3.72 3.28 0.00 0.16 -5.07 105.19 107.90 1pcz n GLY 91 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1pcz n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pcz s VAL 92 N -2.00 4.94 -0.17 1.61 1.01 -0.17 -4.96 120.40 120.67 1pcz s VAL 92 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1pcz s VAL 92 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1pcz s VAL 92 CO 0.00 0.22 -0.15 -0.54 0.00 0.00 0.00 175.10 174.63 1pcz s LYS 93 N 0.82 3.16 -0.10 2.72 3.01 -1.26 -4.11 119.74 123.98 1pcz s LYS 93 Ca 0.44 -0.76 -0.16 0.00 -1.01 0.00 0.00 55.97 54.47 1pcz s LYS 93 Cb -0.19 -2.65 -0.05 0.00 -1.01 0.00 0.00 37.83 33.93 1pcz s LYS 93 CO 0.23 -0.08 0.42 -0.06 0.51 0.00 0.00 175.35 176.37 1pcz s PHE 94 N 1.05 3.55 0.33 3.18 0.40 -1.26 -4.81 117.98 120.41 1pcz s PHE 94 Ca -0.01 0.84 0.03 0.00 -0.60 0.00 0.00 56.93 57.19 1pcz s PHE 94 Cb -0.15 -2.45 0.57 0.00 0.51 0.00 0.00 43.02 41.51 1pcz s PHE 94 CO -0.04 0.28 1.89 0.87 0.70 0.00 0.00 175.22 178.92 1pcz h LYS 95 N 6.30 0.64 0.00 0.44 1.79 -0.61 -3.46 116.57 121.66 1pcz h LYS 95 Ca -0.43 -0.11 -0.22 0.00 -2.18 0.00 0.00 60.65 57.70 1pcz h LYS 95 Cb 1.18 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 1pcz h LYS 95 CO 0.73 0.59 -0.20 0.54 -1.08 0.00 0.00 179.45 180.03 1pcz n ARG 96 N -4.31 0.62 -3.17 3.15 1.74 -1.25 -5.11 116.66 108.32 1pcz n ARG 96 Ca 0.03 -1.44 -0.35 0.00 -0.77 0.00 0.00 57.85 55.32 1pcz n ARG 96 Cb 0.20 0.89 -0.06 0.00 -1.02 0.00 0.00 32.46 32.47 1pcz n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pcz s ALA 97 N -2.49 3.44 0.15 7.54 0.00 -1.26 -4.83 121.76 124.31 1pcz s ALA 97 Ca 0.11 0.06 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 1pcz s ALA 97 Cb 0.01 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 1pcz s ALA 97 CO 0.08 0.36 1.63 -2.30 0.00 0.00 0.00 175.76 175.53 1pcz n PRO 98 N 0.52 2.30 -2.97 0.00 -0.02 -1.25 -4.87 135.00 128.70 1pcz n PRO 98 Ca -0.02 0.83 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 1pcz n PRO 98 Cb 0.52 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1pcz n PRO 98 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1pcz s GLN 99 N 1.22 3.28 -0.19 -0.52 2.00 0.29 -4.89 119.66 120.86 1pcz s GLN 99 Ca 0.79 -1.35 -0.15 0.00 -2.00 0.00 0.00 55.36 52.64 1pcz s GLN 99 Cb -0.64 -4.48 -0.04 0.00 0.80 0.00 0.00 33.01 28.65 1pcz s GLN 99 CO 0.37 -1.71 0.37 0.42 -0.50 0.00 0.00 175.29 174.25 1pcz s ILE 100 N 3.05 5.23 -0.02 -2.34 1.01 -1.26 -1.69 121.20 125.18 1pcz s ILE 100 Ca 0.23 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1pcz s ILE 100 Cb -0.14 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1pcz s ILE 100 CO 0.02 0.29 -0.05 -1.81 0.00 0.00 0.00 174.94 173.39 1pcz s ASP 101 N 0.87 0.75 -0.12 3.58 1.01 -0.35 -5.00 116.67 117.42 1pcz s ASP 101 Ca 0.19 -0.11 -0.29 0.00 0.71 0.00 0.00 52.55 53.05 1pcz s ASP 101 Cb -0.14 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.54 1pcz s ASP 101 CO 0.07 0.01 1.43 -0.69 0.21 0.00 0.00 175.17 176.21 1pcz s VAL 102 N 0.33 3.98 -0.13 -1.27 1.01 -1.26 0.35 120.40 123.40 1pcz s VAL 102 Ca -0.04 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.90 1pcz s VAL 102 Cb -0.08 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.28 1pcz s VAL 102 CO -0.00 -0.11 0.60 -0.61 0.00 0.00 0.00 175.10 174.98 1pcz h GLN 103 N 8.79 0.12 -1.96 2.72 4.15 0.12 -3.45 115.11 125.61 1pcz h GLN 103 Ca -0.32 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 1pcz h GLN 103 Cb 1.13 0.08 -0.19 0.00 0.21 0.00 0.00 27.48 28.71 1pcz h GLN 103 CO 0.96 1.10 0.27 1.21 -1.93 0.00 0.00 178.83 180.45 1pcz s ASN 104 N -6.73 -0.59 -0.03 -0.69 2.47 -0.16 -4.74 114.94 104.47 1pcz s ASN 104 Ca -0.21 0.61 0.04 0.00 0.42 0.00 0.00 52.86 53.72 1pcz s ASN 104 Cb 0.02 0.49 -0.00 0.00 -1.45 0.00 0.00 41.25 40.30 1pcz s ASN 104 CO 0.71 -0.57 -0.15 -0.04 -3.72 0.00 0.00 177.10 173.33 1pcz s MET 105 N -1.33 1.50 -0.11 0.43 -1.94 0.02 0.01 119.30 117.88 1pcz s MET 105 Ca -0.08 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1pcz s MET 105 Cb -0.00 -1.35 -0.00 0.00 2.01 0.00 0.00 34.83 35.48 1pcz s MET 105 CO 0.07 0.25 -0.21 0.08 -0.01 0.00 0.00 175.02 175.19 1pcz s VAL 106 N -0.05 2.27 -0.05 -6.03 1.01 0.45 -3.67 120.40 114.34 1pcz s VAL 106 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1pcz s VAL 106 Cb -0.09 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1pcz s VAL 106 CO 0.01 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.06 1pcz s PHE 107 N 0.43 2.32 0.15 5.22 0.40 0.10 0.48 117.98 127.08 1pcz s PHE 107 Ca -0.15 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.58 1pcz s PHE 107 Cb -0.17 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1pcz s PHE 107 CO 0.07 -0.17 0.24 -1.54 0.70 0.00 0.00 175.22 174.52 1pcz s SER 108 N -0.26 6.10 0.00 1.36 1.04 0.01 0.34 113.70 122.30 1pcz s SER 108 Ca -0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1pcz s SER 108 Cb -0.12 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1pcz s SER 108 CO 0.02 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1pcz n GLY 109 N -0.45 2.01 3.20 7.32 0.00 0.25 0.21 105.19 117.72 1pcz n GLY 109 Ca -0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1pcz n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pcz s ASP 110 N -0.83 -0.11 0.00 1.61 2.15 -0.93 -1.08 116.67 117.48 1pcz s ASP 110 Ca 0.00 0.88 0.31 0.00 0.43 0.00 0.00 52.55 54.17 1pcz s ASP 110 Cb 0.00 1.14 1.69 0.00 -0.30 0.00 0.00 42.92 45.45 1pcz s ASP 110 CO 0.00 -0.23 2.13 2.30 -0.17 0.00 0.00 175.17 179.20 1pcz n ILE 111 N 5.31 0.00 0.00 4.11 -5.35 0.76 -0.85 119.36 123.35 1pcz n ILE 111 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1pcz n ILE 111 Cb 0.50 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 1pcz n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pcz n GLY 112 N 1.14 2.28 3.24 3.28 0.00 -1.21 -4.11 105.19 109.81 1pcz n GLY 112 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1pcz n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pcz s ARG 113 N -0.26 0.94 0.54 1.61 1.70 -1.26 -5.01 118.95 117.21 1pcz s ARG 113 Ca 0.00 -1.07 -0.16 0.00 -0.47 0.00 0.00 55.73 54.03 1pcz s ARG 113 Cb 0.00 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1pcz s ARG 113 CO 0.00 -0.31 1.00 -1.21 -1.08 0.00 0.00 175.30 173.70 1pcz s GLU 114 N -3.91 3.79 0.09 3.89 2.02 -1.26 -3.30 118.70 120.02 1pcz s GLU 114 Ca 0.10 0.97 0.02 0.00 0.02 0.00 0.00 54.97 56.09 1pcz s GLU 114 Cb 0.05 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1pcz s GLU 114 CO -0.07 -0.41 -0.08 -0.06 0.02 0.00 0.00 175.26 174.67 1pcz s PHE 115 N -2.67 0.90 -0.43 1.61 0.40 0.19 -4.86 117.98 113.11 1pcz s PHE 115 Ca 0.59 -0.75 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 1pcz s PHE 115 Cb -0.11 -0.51 0.07 0.00 0.51 0.00 0.00 43.02 42.98 1pcz s PHE 115 CO 0.35 -0.09 0.30 1.21 0.70 0.00 0.00 175.22 177.69 1pcz s ASN 116 N -2.57 5.78 0.37 1.36 3.84 -1.26 -4.33 114.94 118.14 1pcz s ASN 116 Ca 0.06 -1.43 0.07 0.00 0.21 0.00 0.00 52.86 51.76 1pcz s ASN 116 Cb -0.00 -2.04 0.78 0.00 -0.55 0.00 0.00 41.25 39.43 1pcz s ASN 116 CO -0.02 -0.56 1.97 -0.07 -2.79 0.00 0.00 177.10 175.63 1pcz h LEU 117 N 8.50 0.62 -0.50 3.21 4.07 -1.93 0.28 115.31 129.56 1pcz h LEU 117 Ca -0.24 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 1pcz h LEU 117 Cb 1.09 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 1pcz h LEU 117 CO 0.79 0.40 0.13 0.44 -1.08 0.00 0.00 178.44 179.12 1pcz h ASP 118 N 0.70 0.75 -0.17 -0.43 5.19 -1.97 0.45 116.42 120.94 1pcz h ASP 118 Ca 0.29 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1pcz h ASP 118 Cb 0.24 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1pcz h ASP 118 CO -0.09 0.78 -0.05 0.58 -3.12 0.00 0.00 179.24 177.34 1pcz h VAL 119 N 0.68 1.30 -0.44 -1.35 2.07 -1.83 0.17 116.25 116.84 1pcz h VAL 119 Ca 0.16 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1pcz h VAL 119 Cb 0.32 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1pcz h VAL 119 CO 0.00 0.31 0.21 0.58 0.02 0.00 0.00 177.57 178.69 1pcz h VAL 120 N 0.03 0.95 -0.15 2.57 2.07 -0.80 0.72 116.25 121.65 1pcz h VAL 120 Ca 0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1pcz h VAL 120 Cb 0.50 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1pcz h VAL 120 CO 0.02 0.08 -0.05 0.00 0.02 0.00 0.00 177.57 177.63 1pcz h ALA 121 N 1.24 1.64 0.08 1.67 0.00 0.17 0.88 119.26 124.94 1pcz h ALA 121 Ca 0.19 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 1pcz h ALA 121 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pcz h ALA 121 CO -0.15 0.27 -1.15 -0.07 0.00 0.00 0.00 179.25 178.15 1pcz h LEU 122 N 0.21 0.31 0.00 0.00 3.38 0.77 -3.38 115.31 116.60 1pcz h LEU 122 Ca 0.05 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1pcz h LEU 122 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1pcz h LEU 122 CO 0.01 1.24 -0.60 0.74 0.09 0.00 0.00 178.44 179.92 1pcz h THR 123 N 0.06 1.17 -2.62 0.22 2.02 0.14 -3.46 112.91 110.43 1pcz h THR 123 Ca -0.10 -2.10 -0.55 0.00 0.77 0.00 0.00 66.41 64.44 1pcz h THR 123 Cb 1.88 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 70.72 1pcz h THR 123 CO 0.18 0.40 1.07 -0.22 0.37 0.00 0.00 175.52 177.32 1pcz s LEU 124 N -8.08 4.33 0.05 2.58 2.96 0.30 -4.97 118.68 115.83 1pcz s LEU 124 Ca -0.22 2.27 -0.27 0.00 -0.22 0.00 0.00 54.13 55.69 1pcz s LEU 124 Cb 0.02 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.02 1pcz s LEU 124 CO 0.57 -0.92 1.41 1.55 -1.32 0.00 0.00 176.35 177.65 1pcz h PRO 125 N 9.37 -0.93 -3.03 0.98 0.13 -1.89 -3.35 132.00 133.28 1pcz h PRO 125 Ca -0.40 0.06 -0.81 0.00 -0.87 0.00 0.00 66.00 63.99 1pcz h PRO 125 Cb 1.18 0.21 -0.27 0.00 0.13 0.00 0.00 31.00 32.25 1pcz h PRO 125 CO 0.95 -0.62 0.84 0.27 -0.23 0.00 0.00 178.00 179.21 1pcz n ASN 126 N -4.68 6.26 -4.02 1.44 2.04 -1.26 -4.95 115.26 110.09 1pcz n ASN 126 Ca -0.12 -3.36 -0.08 0.00 -0.44 0.00 0.00 54.58 50.59 1pcz n ASN 126 Cb 0.39 -1.30 -0.09 0.00 -2.53 0.00 0.00 39.78 36.24 1pcz n ASN 126 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pcz s GLU 128 N -3.64 1.59 -0.30 0.00 2.02 0.10 -4.93 118.70 113.54 1pcz s GLU 128 Ca 0.04 -1.15 -0.01 0.00 0.02 0.00 0.00 54.97 53.87 1pcz s GLU 128 Cb 0.05 -1.85 0.19 0.00 0.10 0.00 0.00 34.13 32.63 1pcz s GLU 128 CO -0.09 0.46 0.62 -0.47 0.02 0.00 0.00 175.26 175.80 1pcz s TYR 129 N -0.89 -1.57 -0.45 1.61 5.04 -1.26 0.01 117.35 119.84 1pcz s TYR 129 Ca 0.11 1.63 0.06 0.00 -2.44 0.00 0.00 57.07 56.43 1pcz s TYR 129 Cb -0.10 0.54 0.20 0.00 0.35 0.00 0.00 41.96 42.94 1pcz s TYR 129 CO 0.03 -0.86 0.54 -0.85 -1.34 0.00 0.00 175.55 173.07 1pcz n GLU 130 N 5.43 0.43 -0.37 4.97 0.28 -1.26 -5.04 120.64 125.08 1pcz n GLU 130 Ca -0.01 -2.69 0.30 0.00 -0.16 0.00 0.00 57.16 54.60 1pcz n GLU 130 Cb 0.51 -1.52 0.60 0.00 1.43 0.00 0.00 31.44 32.46 1pcz n GLU 130 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1pcz h PRO 131 N 5.01 0.22 -0.41 3.44 0.13 -1.82 0.43 132.00 139.02 1pcz h PRO 131 Ca 0.13 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 1pcz h PRO 131 Cb 0.98 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1pcz h PRO 131 CO 0.27 0.15 0.18 0.93 -0.23 0.00 0.00 178.00 179.30 1pcz h GLU 132 N 0.23 0.60 0.20 0.86 4.39 -1.98 -3.19 114.58 115.68 1pcz h GLU 132 Ca 0.67 -0.10 -0.32 0.00 0.34 0.00 0.00 59.36 59.95 1pcz h GLU 132 Cb 2.00 -0.10 0.04 0.00 -0.10 0.00 0.00 28.75 30.58 1pcz h GLU 132 CO -0.28 0.54 -1.37 0.37 -1.16 0.00 0.00 179.01 177.10 1pcz h GLN 133 N 0.51 0.57 -2.59 2.33 5.75 -1.55 -3.46 115.11 116.68 1pcz h GLN 133 Ca 0.14 -0.89 -0.11 0.00 -0.15 0.00 0.00 58.65 57.64 1pcz h GLN 133 Cb 0.15 0.32 -0.27 0.00 1.07 0.00 0.00 27.48 28.75 1pcz h GLN 133 CO -0.01 1.42 -0.33 0.12 -2.65 0.00 0.00 178.83 177.38 1pcz s PHE 134 N -2.74 -0.68 0.49 3.99 2.19 -0.02 -5.10 117.98 116.11 1pcz s PHE 134 Ca -0.09 1.39 -0.21 0.00 0.33 0.00 0.00 56.93 58.34 1pcz s PHE 134 Cb 0.04 0.28 -0.07 0.00 -1.31 0.00 0.00 43.02 41.96 1pcz s PHE 134 CO 0.94 -0.40 1.12 -1.25 1.83 0.00 0.00 175.22 177.46 1pcz s PRO 135 N 1.91 3.63 0.00 10.12 0.04 -1.25 -3.21 135.00 146.24 1pcz s PRO 135 Ca -0.06 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1pcz s PRO 135 Cb -0.10 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1pcz s PRO 135 CO -0.13 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1pcz n GLY 136 N 0.23 -0.45 3.68 0.56 0.00 -1.26 -4.89 105.19 103.05 1pcz n GLY 136 Ca 0.09 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1pcz n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pcz s VAL 137 N -2.21 5.26 -0.28 1.61 1.01 0.56 -4.50 120.40 121.85 1pcz s VAL 137 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 1pcz s VAL 137 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1pcz s VAL 137 CO 0.00 0.40 0.51 -0.63 0.00 0.00 0.00 175.10 175.38 1pcz s ILE 138 N 0.71 5.06 -0.29 2.22 1.01 0.10 0.13 121.20 130.14 1pcz s ILE 138 Ca 0.07 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 1pcz s ILE 138 Cb -0.12 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.55 1pcz s ILE 138 CO 0.01 0.04 -0.02 -0.47 0.00 0.00 0.00 174.94 174.50 1pcz s TYR 139 N 2.32 3.22 -0.27 3.97 5.04 0.15 0.02 117.35 131.80 1pcz s TYR 139 Ca 0.21 -1.84 -0.13 0.00 -2.44 0.00 0.00 57.07 52.87 1pcz s TYR 139 Cb -0.16 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1pcz s TYR 139 CO 0.10 -0.79 0.28 1.03 -1.34 0.00 0.00 175.55 174.83 1pcz s ARG 140 N 1.26 3.99 0.01 4.97 0.52 -1.25 0.50 118.95 128.94 1pcz s ARG 140 Ca -0.04 -0.13 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1pcz s ARG 140 Cb -0.19 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.57 1pcz s ARG 140 CO -0.02 -0.22 0.51 0.08 0.02 0.00 0.00 175.30 175.67 1pcz s VAL 141 N 1.88 4.93 -0.06 3.52 1.01 0.72 -4.97 120.40 127.44 1pcz s VAL 141 Ca 0.11 1.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 1pcz s VAL 141 Cb -0.16 -3.83 -0.30 0.00 0.00 0.00 0.00 36.38 32.09 1pcz s VAL 141 CO 0.10 0.50 0.72 0.11 0.00 0.00 0.00 175.10 176.53 1pcz h LYS 142 N 5.14 0.33 -3.51 2.72 1.79 -1.95 -2.44 116.57 118.66 1pcz h LYS 142 Ca -0.48 -0.57 -0.54 0.00 -2.18 0.00 0.00 60.65 56.88 1pcz h LYS 142 Cb 1.21 0.21 -0.40 0.00 -1.58 0.00 0.00 32.23 31.67 1pcz h LYS 142 CO 0.66 1.27 -0.76 -1.21 -1.08 0.00 0.00 179.45 178.33 1pcz s GLU 143 N -2.51 0.66 0.64 3.15 8.01 -1.26 -2.34 118.70 125.05 1pcz s GLU 143 Ca -0.16 -0.60 -0.11 0.00 0.01 0.00 0.00 54.97 54.11 1pcz s GLU 143 Cb 0.04 -2.02 -0.03 0.00 -4.31 0.00 0.00 34.13 27.81 1pcz s GLU 143 CO 0.83 -0.75 1.04 -1.25 0.01 0.00 0.00 175.26 175.13 1pcz s PRO 144 N 1.81 3.42 -0.14 0.39 0.04 -1.26 -4.86 135.00 134.40 1pcz s PRO 144 Ca 0.02 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 1pcz s PRO 144 Cb -0.17 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1pcz s PRO 144 CO -0.14 -0.67 1.69 0.21 0.04 0.00 0.00 177.00 178.12 1pcz s LYS 145 N -5.21 3.93 0.21 4.56 2.20 -0.99 -4.53 119.74 119.90 1pcz s LYS 145 Ca 0.56 1.95 -0.23 0.00 -0.36 0.00 0.00 55.97 57.88 1pcz s LYS 145 Cb -0.11 -4.04 0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1pcz s LYS 145 CO 0.53 -1.15 0.80 -1.54 -0.36 0.00 0.00 175.35 173.64 1pcz s SER 146 N 4.15 -0.26 -0.02 1.43 1.04 -0.92 -3.81 113.70 115.31 1pcz s SER 146 Ca 0.75 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1pcz s SER 146 Cb -0.30 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1pcz s SER 146 CO 0.30 -1.12 -0.04 0.54 0.98 0.00 0.00 173.24 173.90 1pcz s VAL 147 N -3.63 0.43 -0.07 5.02 0.11 0.10 -0.20 120.40 122.15 1pcz s VAL 147 Ca 0.10 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1pcz s VAL 147 Cb -0.04 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1pcz s VAL 147 CO 0.03 0.16 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.20 1pcz s ILE 148 N 0.33 3.23 -0.25 7.04 1.01 0.18 -0.60 121.20 132.14 1pcz s ILE 148 Ca -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1pcz s ILE 148 Cb -0.07 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1pcz s ILE 148 CO -0.00 0.58 -0.00 -0.22 0.00 0.00 0.00 174.94 175.29 1pcz s LEU 149 N -0.48 3.23 -0.16 2.97 2.96 0.91 0.31 118.68 128.42 1pcz s LEU 149 Ca 0.06 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1pcz s LEU 149 Cb -0.12 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1pcz s LEU 149 CO 0.02 -0.08 0.02 -0.22 -1.32 0.00 0.00 176.35 174.77 1pcz s LEU 150 N 1.48 3.61 0.20 -0.68 0.20 0.12 -0.78 118.68 122.83 1pcz s LEU 150 Ca 0.04 0.03 0.07 0.00 0.69 0.00 0.00 54.13 54.96 1pcz s LEU 150 Cb -0.15 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1pcz s LEU 150 CO -0.01 0.21 0.07 -0.36 -0.29 0.00 0.00 176.35 175.96 1pcz s PHE 151 N 0.16 2.94 0.58 5.38 0.08 0.25 -0.32 117.98 127.05 1pcz s PHE 151 Ca 0.02 -0.12 0.27 0.00 0.12 0.00 0.00 56.93 57.22 1pcz s PHE 151 Cb -0.13 -1.38 1.61 0.00 -0.57 0.00 0.00 43.02 42.55 1pcz s PHE 151 CO 0.01 0.54 2.11 0.66 -0.10 0.00 0.00 175.22 178.44 1pcz h SER 152 N 2.26 0.00 0.77 1.36 4.64 -1.86 0.24 113.55 120.97 1pcz h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1pcz h SER 152 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1pcz h SER 152 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 1pcz h SER 153 N 0.00 0.00 0.00 4.97 4.64 -1.87 0.55 113.55 121.84 1pcz h SER 153 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pcz h SER 153 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1pcz h SER 153 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1pcz n GLY 154 N -0.18 0.46 3.76 -0.77 0.00 0.86 -3.99 105.19 105.33 1pcz n GLY 154 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1pcz n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcz s LYS 155 N -0.86 4.50 0.18 1.61 -0.14 -1.26 -0.17 119.74 123.60 1pcz s LYS 155 Ca 0.00 1.83 0.07 0.00 -1.36 0.00 0.00 55.97 56.51 1pcz s LYS 155 Cb 0.00 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 1pcz s LYS 155 CO 0.00 0.08 -0.14 0.96 -0.76 0.00 0.00 175.35 175.48 1pcz s ILE 156 N -1.23 1.62 -0.11 2.17 -4.36 -0.24 -0.58 121.20 118.46 1pcz s ILE 156 Ca 0.48 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1pcz s ILE 156 Cb -0.32 -1.91 0.04 0.00 1.25 0.00 0.00 42.46 41.52 1pcz s ILE 156 CO 0.41 -0.55 0.02 -0.69 0.24 0.00 0.00 174.94 174.37 1pcz s VAL 157 N -2.76 0.37 -0.17 8.37 1.01 0.04 0.86 120.40 128.12 1pcz s VAL 157 Ca 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1pcz s VAL 157 Cb -0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1pcz s VAL 157 CO 0.05 0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.31 1pcz s SER 159 N 0.06 0.17 0.00 0.00 0.15 0.23 0.03 113.70 114.34 1pcz s SER 159 Ca 0.06 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.44 1pcz s SER 159 Cb -0.12 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1pcz s SER 159 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1pcz n GLY 160 N -0.22 3.14 3.77 9.45 0.00 -1.24 0.00 105.19 120.09 1pcz n GLY 160 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1pcz n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcz s ALA 161 N -2.56 3.42 -2.00 4.61 0.00 -1.25 -4.59 121.76 119.39 1pcz s ALA 161 Ca 0.00 0.41 0.22 0.00 0.00 0.00 0.00 51.96 52.59 1pcz s ALA 161 Cb 0.00 -3.02 0.63 0.00 0.00 0.00 0.00 23.12 20.73 1pcz s ALA 161 CO 0.00 0.26 1.52 1.63 0.00 0.00 0.00 175.76 179.17 1pcz n LYS 162 N 1.65 2.64 -3.66 0.00 5.02 -1.26 -0.80 118.16 121.76 1pcz n LYS 162 Ca -0.05 -2.56 -0.14 0.00 -2.02 0.00 0.00 58.31 53.54 1pcz n LYS 162 Cb 0.48 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 1pcz n LYS 162 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pcz s SER 163 N -1.00 -0.36 0.31 4.39 1.04 -1.26 -4.87 113.70 111.95 1pcz s SER 163 Ca 0.47 0.24 0.06 0.00 0.48 0.00 0.00 55.95 57.20 1pcz s SER 163 Cb 0.25 0.42 0.53 0.00 0.10 0.00 0.00 66.02 67.31 1pcz s SER 163 CO 0.32 -0.57 1.77 -0.08 0.98 0.00 0.00 173.24 175.66 1pcz h GLU 164 N 3.33 0.33 -0.65 4.02 4.81 -1.99 -1.83 114.58 122.60 1pcz h GLU 164 Ca -0.29 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1pcz h GLU 164 Cb 1.18 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1pcz h GLU 164 CO 0.41 0.58 0.11 0.00 -0.73 0.00 0.00 179.01 179.38 1pcz h ALA 165 N 1.43 0.86 -0.16 2.92 0.00 -1.98 0.12 119.26 122.45 1pcz h ALA 165 Ca 0.04 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1pcz h ALA 165 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pcz h ALA 165 CO 0.05 0.62 -0.48 -0.44 0.00 0.00 0.00 179.25 178.99 1pcz h ASP 166 N 0.99 0.45 -0.04 0.00 5.19 -1.85 -0.63 116.42 120.53 1pcz h ASP 166 Ca 0.20 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1pcz h ASP 166 Cb 0.43 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1pcz h ASP 166 CO 0.01 0.86 0.01 0.00 -3.12 0.00 0.00 179.24 177.01 1pcz h ALA 167 N 1.15 0.05 -0.83 3.45 0.00 -0.99 0.77 119.26 122.86 1pcz h ALA 167 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1pcz h ALA 167 Cb 0.97 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1pcz h ALA 167 CO 0.08 -0.35 0.55 -1.49 0.00 0.00 0.00 179.25 178.04 1pcz h TRP 168 N -0.12 1.00 -0.19 0.00 4.06 -0.55 0.37 115.95 120.52 1pcz h TRP 168 Ca 0.01 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.85 1pcz h TRP 168 Cb 0.19 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1pcz h TRP 168 CO -0.01 0.58 -0.44 1.49 -3.56 0.00 0.00 178.44 176.50 1pcz h GLU 169 N 1.04 0.47 -0.37 0.49 4.81 -0.61 0.61 114.58 121.02 1pcz h GLU 169 Ca 0.33 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1pcz h GLU 169 Cb 0.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1pcz h GLU 169 CO -0.10 0.82 0.13 0.00 -0.73 0.00 0.00 179.01 179.13 1pcz h ALA 170 N 1.14 0.48 -0.62 2.92 0.00 0.35 0.31 119.26 123.84 1pcz h ALA 170 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1pcz h ALA 170 Cb 0.93 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1pcz h ALA 170 CO 0.08 0.10 0.09 0.28 0.00 0.00 0.00 179.25 179.80 1pcz h VAL 171 N 0.44 1.26 -0.51 0.00 2.07 -0.76 -1.43 116.25 117.32 1pcz h VAL 171 Ca 0.12 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1pcz h VAL 171 Cb 0.23 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1pcz h VAL 171 CO -0.01 0.37 0.06 -0.09 0.02 0.00 0.00 177.57 177.93 1pcz h ARG 172 N 0.95 0.86 -0.60 1.57 2.43 -0.47 -0.92 114.38 118.21 1pcz h ARG 172 Ca 0.19 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1pcz h ARG 172 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1pcz h ARG 172 CO 0.01 0.86 0.02 0.87 -1.51 0.00 0.00 179.97 180.23 1pcz h LYS 173 N 0.74 1.03 0.04 0.20 1.57 -0.05 -0.05 116.57 120.05 1pcz h LYS 173 Ca 0.15 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pcz h LYS 173 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1pcz h LYS 173 CO 0.01 0.99 -0.02 1.25 -0.57 0.00 0.00 179.45 181.12 1pcz h LEU 174 N 0.95 -0.05 -1.37 2.94 5.85 -0.96 0.46 115.31 123.13 1pcz h LEU 174 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1pcz h LEU 174 Cb 0.52 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1pcz h LEU 174 CO 0.03 0.15 0.43 -0.07 -0.34 0.00 0.00 178.44 178.63 1pcz h LEU 175 N -0.24 0.74 -0.41 2.25 3.38 -1.08 0.46 115.31 120.41 1pcz h LEU 175 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1pcz h LEU 175 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pcz h LEU 175 CO 0.01 0.53 -0.04 -0.09 0.09 0.00 0.00 178.44 178.94 1pcz h ARG 176 N 0.87 0.75 -0.29 1.13 2.43 -0.73 0.47 114.38 119.01 1pcz h ARG 176 Ca 0.24 -0.26 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1pcz h ARG 176 Cb -0.07 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1pcz h ARG 176 CO -0.06 0.85 -0.40 1.49 -1.51 0.00 0.00 179.97 180.34 1pcz h GLU 177 N 0.58 0.79 -0.35 0.20 4.57 0.10 0.96 114.58 121.43 1pcz h GLU 177 Ca 0.11 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 1pcz h GLU 177 Cb 0.54 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1pcz h GLU 177 CO 0.03 1.09 0.10 -0.07 -1.18 0.00 0.00 179.01 178.98 1pcz h LEU 178 N 0.56 0.52 -0.11 1.64 3.38 -0.06 -1.91 115.31 119.33 1pcz h LEU 178 Ca 0.03 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1pcz h LEU 178 Cb 1.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1pcz h LEU 178 CO 0.09 0.60 -0.05 -0.78 0.09 0.00 0.00 178.44 178.40 1pcz h ASP 179 N 0.41 -0.16 -0.41 -0.43 3.58 -0.80 0.17 116.42 118.78 1pcz h ASP 179 Ca 0.11 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.72 1pcz h ASP 179 Cb 0.28 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1pcz h ASP 179 CO -0.00 -0.07 0.31 0.50 -2.88 0.00 0.00 179.24 177.10 1pcz h LYS 180 N -0.04 0.00 -0.54 0.28 3.64 -0.57 0.11 116.57 119.46 1pcz h LYS 180 Ca 0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1pcz h LYS 180 Cb 0.13 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1pcz h LYS 180 CO -0.13 0.00 0.13 0.66 -2.27 0.00 0.00 179.45 177.84 1pcz n TYR 181 N -4.35 1.82 -3.78 1.91 4.02 -0.59 -4.96 117.16 111.23 1pcz n TYR 181 Ca 0.07 -1.15 -0.27 0.00 -0.01 0.00 0.00 57.90 56.54 1pcz n TYR 181 Cb 0.50 -0.55 0.02 0.00 -0.02 0.00 0.00 39.34 39.29 1pcz n TYR 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pcz n GLY 182 N -0.36 -0.58 0.05 2.72 0.00 0.39 -4.88 105.19 102.53 1pcz n GLY 182 Ca 0.34 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1pcz n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pcz n LEU 183 N -4.27 1.81 0.00 0.99 4.77 0.49 -5.01 117.00 115.78 1pcz n LEU 183 Ca -0.21 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1pcz n LEU 183 Cb 0.64 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1pcz n LEU 183 CO 0.70 0.45 0.20 0.18 -1.33 0.00 0.00 177.39 177.59