#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrr s ALA 2 N 0.00 4.31 -0.28 7.33 0.00 -1.19 -3.15 121.76 128.77 1zrr s ALA 2 Ca 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 51.96 50.36 1zrr s ALA 2 Cb 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 23.12 21.49 1zrr s ALA 2 CO 0.00 -0.40 0.57 -1.17 0.00 0.00 0.00 175.76 174.76 1zrr s LEU 3 N -4.46 -1.12 -0.12 0.00 2.96 -0.96 -3.03 118.68 111.96 1zrr s LEU 3 Ca 0.55 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1zrr s LEU 3 Cb -0.10 2.00 -0.03 0.00 0.50 0.00 0.00 46.19 48.56 1zrr s LEU 3 CO 0.35 -0.25 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.18 1zrr s THR 4 N 2.81 3.75 -0.05 3.68 2.01 0.22 -3.46 115.64 124.60 1zrr s THR 4 Ca 0.07 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1zrr s THR 4 Cb -0.14 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1zrr s THR 4 CO -0.19 0.54 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 1zrr s ILE 5 N -0.13 1.03 0.33 1.82 1.01 -1.10 0.04 121.20 124.21 1zrr s ILE 5 Ca 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1zrr s ILE 5 Cb -0.13 -0.94 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 1zrr s ILE 5 CO 0.03 0.32 -0.02 -0.36 0.00 0.00 0.00 174.94 174.91 1zrr s PHE 6 N 0.49 2.16 0.77 3.97 0.08 -1.25 -2.13 117.98 122.07 1zrr s PHE 6 Ca -0.10 -0.73 -0.07 0.00 0.12 0.00 0.00 56.93 56.15 1zrr s PHE 6 Cb -0.13 -1.36 0.12 0.00 -0.57 0.00 0.00 43.02 41.07 1zrr s PHE 6 CO 0.02 0.30 1.08 -1.54 -0.10 0.00 0.00 175.22 174.98 1zrr s SER 7 N -3.55 4.23 -0.03 1.36 1.04 -1.20 -3.33 113.70 112.22 1zrr s SER 7 Ca 0.33 0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.98 1zrr s SER 7 Cb 0.06 -0.54 -0.23 0.00 0.10 0.00 0.00 66.02 65.41 1zrr s SER 7 CO 0.15 -1.97 0.71 -0.37 0.98 0.00 0.00 173.24 172.74 1zrr h VAL 8 N -0.83 0.93 -0.13 5.02 -1.51 -1.93 -3.36 116.25 114.44 1zrr h VAL 8 Ca -0.42 -2.75 -0.20 0.00 -1.23 0.00 0.00 66.70 62.11 1zrr h VAL 8 Cb 1.28 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 1zrr h VAL 8 CO 0.48 0.60 -0.71 0.50 -1.23 0.00 0.00 177.57 177.20 1zrr h LYS 9 N 0.01 0.60 -3.72 5.19 3.64 -1.96 -3.43 116.57 116.90 1zrr h LYS 9 Ca -0.27 -0.47 -0.40 0.00 -1.27 0.00 0.00 60.65 58.25 1zrr h LYS 9 Cb 1.99 0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 33.54 1zrr h LYS 9 CO 0.09 1.09 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.09 1zrr s ASP 10 N -7.02 1.07 0.05 4.20 -0.00 -1.26 -5.03 116.67 108.69 1zrr s ASP 10 Ca -0.08 -0.06 -0.05 0.00 -0.00 0.00 0.00 52.55 52.37 1zrr s ASP 10 Cb 0.10 -0.34 -0.29 0.00 -0.00 0.00 0.00 42.92 42.39 1zrr s ASP 10 CO 0.87 -0.15 1.06 1.55 -0.00 0.00 0.00 175.17 178.50 1zrr h PRO 11 N 7.81 0.29 0.00 8.23 0.13 -1.85 -3.19 132.00 143.42 1zrr h PRO 11 Ca -0.29 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1zrr h PRO 11 Cb 1.13 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1zrr h PRO 11 CO 0.35 1.21 0.00 0.00 -0.23 0.00 0.00 178.00 179.33 1zrr n GLN 12 N -3.53 0.48 -3.97 0.86 10.64 -1.26 -4.51 117.38 116.10 1zrr n GLN 12 Ca -0.11 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.71 1zrr n GLN 12 Cb 1.04 -1.25 -0.15 0.00 -0.86 0.00 0.00 30.24 29.02 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1zrr s ASN 13 N -1.76 4.02 -0.25 2.61 0.01 -1.23 -5.08 114.94 113.26 1zrr s ASN 13 Ca 0.12 -0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 51.59 1zrr s ASN 13 Cb 0.05 -1.66 -0.05 0.00 0.41 0.00 0.00 41.25 40.00 1zrr s ASN 13 CO 0.09 -0.04 0.23 -0.94 -1.51 0.00 0.00 177.10 174.93 1zrr s SER 14 N 1.40 6.15 0.00 -1.22 1.04 -1.26 -3.25 113.70 116.56 1zrr s SER 14 Ca 0.04 0.16 0.25 0.00 0.48 0.00 0.00 55.95 56.89 1zrr s SER 14 Cb -0.14 -2.14 0.55 0.00 0.10 0.00 0.00 66.02 64.39 1zrr s SER 14 CO -0.06 -0.02 1.44 0.00 0.98 0.00 0.00 173.24 175.59 1zrr n LEU 15 N 4.64 0.80 -3.20 2.42 -0.00 -0.91 -4.73 117.00 116.01 1zrr n LEU 15 Ca -0.13 -0.16 -0.00 0.00 -0.00 0.00 0.00 56.01 55.72 1zrr n LEU 15 Cb 0.52 -0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 43.74 1zrr n LEU 15 CO 0.35 0.17 0.07 0.86 -0.00 0.00 0.00 177.39 178.85 1zrr s TRP 16 N -2.77 -1.48 -0.21 1.47 -0.00 -1.23 -5.05 118.94 109.67 1zrr s TRP 16 Ca 0.17 1.16 0.02 0.00 -0.00 0.00 0.00 56.10 57.45 1zrr s TRP 16 Cb 0.18 0.29 0.04 0.00 -0.00 0.00 0.00 33.47 33.98 1zrr s TRP 16 CO 0.63 -0.94 -0.16 -1.58 -0.00 0.00 0.00 176.95 174.90 1zrr s HIS 17 N 2.75 2.89 0.17 5.86 5.65 -1.26 -2.70 115.29 128.65 1zrr s HIS 17 Ca 0.14 -1.86 -0.24 0.00 0.25 0.00 0.00 55.06 53.35 1zrr s HIS 17 Cb -0.13 -1.88 0.06 0.00 -1.18 0.00 0.00 32.58 29.44 1zrr s HIS 17 CO -0.23 -0.82 0.75 0.45 -0.65 0.00 0.00 174.74 174.23 1zrr s SER 18 N 1.24 -0.37 -0.42 9.88 0.15 -1.23 -5.08 113.70 117.88 1zrr s SER 18 Ca -0.00 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.39 1zrr s SER 18 Cb -0.16 0.59 0.13 0.00 -1.71 0.00 0.00 66.02 64.87 1zrr s SER 18 CO -0.10 -1.02 0.23 -0.89 1.20 0.00 0.00 173.24 172.66 1zrr s THR 19 N -3.62 1.19 0.10 6.45 2.01 -1.26 -2.26 115.64 118.25 1zrr s THR 19 Ca 0.07 -2.38 0.07 0.00 0.31 0.00 0.00 61.69 59.76 1zrr s THR 19 Cb -0.03 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1zrr s THR 19 CO -0.03 -0.90 -0.18 0.20 -0.69 0.00 0.00 174.62 173.02 1zrr s ASN 20 N 0.51 2.27 -0.10 3.53 0.01 -1.19 -4.73 114.94 115.24 1zrr s ASN 20 Ca 0.17 -0.71 -0.19 0.00 -0.71 0.00 0.00 52.86 51.43 1zrr s ASN 20 Cb -0.24 -0.11 -0.28 0.00 0.41 0.00 0.00 41.25 41.03 1zrr s ASN 20 CO 0.00 -0.01 0.65 0.00 -1.51 0.00 0.00 177.10 176.23 1zrr h ALA 21 N 3.96 0.08 0.09 0.60 0.00 -1.99 -3.15 119.26 118.84 1zrr h ALA 21 Ca -0.44 -0.92 -0.18 0.00 0.00 0.00 0.00 54.91 53.38 1zrr h ALA 21 Cb 1.19 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1zrr h ALA 21 CO 0.42 0.60 -0.86 1.05 0.00 0.00 0.00 179.25 180.47 1zrr h GLU 22 N -0.44 0.18 0.00 0.00 4.11 -1.99 -3.18 114.58 113.27 1zrr h GLU 22 Ca -0.23 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 58.88 1zrr h GLU 22 Cb 1.62 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 1zrr h GLU 22 CO 0.06 1.15 -0.05 1.49 0.07 0.00 0.00 179.01 181.73 1zrr h GLU 23 N -0.56 0.00 0.42 1.06 4.57 -1.98 -1.57 114.58 116.52 1zrr h GLU 23 Ca -0.18 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 1zrr h GLU 23 Cb 1.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1zrr h GLU 23 CO 0.05 0.05 -0.20 0.82 -1.18 0.00 0.00 179.01 178.55 1zrr h ILE 24 N 0.00 0.19 -0.66 2.32 2.04 -1.62 -2.17 117.51 117.61 1zrr h ILE 24 Ca -0.00 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1zrr h ILE 24 Cb 0.18 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1zrr h ILE 24 CO 0.01 0.04 0.36 0.06 0.00 0.00 0.00 178.15 178.62 1zrr h GLN 25 N -1.09 0.63 -0.48 2.37 3.07 -1.48 0.13 115.11 118.26 1zrr h GLN 25 Ca -0.06 -0.04 0.06 0.00 0.09 0.00 0.00 58.65 58.71 1zrr h GLN 25 Cb 0.51 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 27.89 1zrr h GLN 25 CO 0.10 0.42 0.32 1.96 0.09 0.00 0.00 178.83 181.72 1zrr h GLN 26 N 0.65 0.39 0.43 0.06 4.20 -1.33 1.06 115.11 120.56 1zrr h GLN 26 Ca 0.30 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1zrr h GLN 26 Cb 0.22 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1zrr h GLN 26 CO -0.20 0.25 -0.20 0.37 -0.67 0.00 0.00 178.83 178.38 1zrr h GLN 27 N 0.40 -0.55 0.36 1.46 4.15 -0.30 -1.94 115.11 118.68 1zrr h GLN 27 Ca 0.21 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1zrr h GLN 27 Cb 0.33 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1zrr h GLN 27 CO -0.05 -0.37 -0.17 1.37 -1.93 0.00 0.00 178.83 177.68 1zrr h LEU 28 N -1.02 -0.41 -1.81 -2.39 8.10 -1.21 -2.83 115.31 113.74 1zrr h LEU 28 Ca -0.06 -0.15 0.28 0.00 0.11 0.00 0.00 57.88 58.06 1zrr h LEU 28 Cb 0.44 0.10 -0.06 0.00 -0.44 0.00 0.00 40.66 40.71 1zrr h LEU 28 CO 0.10 -0.03 0.70 -1.13 -4.11 0.00 0.00 178.44 173.96 1zrr h ASN 29 N -0.83 0.14 0.28 0.17 -0.73 0.10 2.21 115.58 116.93 1zrr h ASN 29 Ca -0.05 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 1zrr h ASN 29 Cb 0.53 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 1zrr h ASN 29 CO 0.08 0.04 -0.08 0.00 -0.37 0.00 0.00 177.43 177.10 1zrr h ALA 30 N 1.53 1.32 -0.42 1.57 0.00 -1.09 -0.06 119.26 122.11 1zrr h ALA 30 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1zrr h ALA 30 Cb 1.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1zrr h ALA 30 CO -0.09 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1zrr n LYS 31 N -3.66 2.65 -0.61 0.00 5.02 0.75 -4.85 118.16 117.46 1zrr n LYS 31 Ca -0.02 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 1zrr n LYS 31 Cb 0.19 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 32 N 0.89 0.99 3.88 0.72 0.00 -0.04 -5.07 105.19 106.57 1zrr n GLY 32 Ca 0.16 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1zrr n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zrr s VAL 33 N -2.00 5.22 0.43 1.61 1.01 -1.12 -4.76 120.40 120.80 1zrr s VAL 33 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 1zrr s VAL 33 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1zrr s VAL 33 CO 0.00 0.26 0.79 -0.60 0.00 0.00 0.00 175.10 175.55 1zrr s ARG 34 N -2.05 3.74 -0.04 2.72 3.52 -1.24 -4.00 118.95 121.60 1zrr s ARG 34 Ca 0.32 0.46 -0.22 0.00 -0.13 0.00 0.00 55.73 56.16 1zrr s ARG 34 Cb -0.13 -2.36 0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1zrr s ARG 34 CO 0.19 -0.10 0.49 0.12 -0.81 0.00 0.00 175.30 175.20 1zrr s PHE 35 N -2.48 -0.42 0.00 5.12 2.19 -1.26 -4.08 117.98 117.05 1zrr s PHE 35 Ca 0.51 0.72 -0.29 0.00 0.33 0.00 0.00 56.93 58.20 1zrr s PHE 35 Cb -0.10 0.25 0.11 0.00 -1.31 0.00 0.00 43.02 41.96 1zrr s PHE 35 CO 0.35 -0.48 1.26 -1.21 1.83 0.00 0.00 175.22 176.96 1zrr s GLU 36 N -1.18 0.48 -0.21 10.12 2.02 -1.24 -4.96 118.70 123.73 1zrr s GLU 36 Ca -0.12 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 1zrr s GLU 36 Cb -0.03 0.15 0.11 0.00 0.10 0.00 0.00 34.13 34.46 1zrr s GLU 36 CO 0.07 -0.22 0.37 0.50 0.02 0.00 0.00 175.26 176.00 1zrr s ARG 37 N -2.34 0.31 0.14 1.61 3.52 -1.26 -3.31 118.95 117.61 1zrr s ARG 37 Ca 0.18 0.73 0.07 0.00 -0.13 0.00 0.00 55.73 56.58 1zrr s ARG 37 Cb 0.03 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1zrr s ARG 37 CO -0.02 -0.46 -0.02 -1.58 -0.81 0.00 0.00 175.30 172.41 1zrr s TRP 38 N 2.55 2.86 0.18 5.12 0.51 -1.26 -4.98 118.94 123.92 1zrr s TRP 38 Ca 0.06 -0.11 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 1zrr s TRP 38 Cb -0.14 -1.43 -0.03 0.00 -0.81 0.00 0.00 33.47 31.06 1zrr s TRP 38 CO -0.14 0.49 0.18 -0.65 -0.51 0.00 0.00 176.95 176.33 1zrr s GLN 39 N -2.65 1.14 0.34 4.98 -0.21 -1.26 -4.74 119.66 117.26 1zrr s GLN 39 Ca 0.26 -1.42 -0.01 0.00 0.02 0.00 0.00 55.36 54.21 1zrr s GLN 39 Cb -0.10 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.18 1zrr s GLN 39 CO 0.18 -0.39 0.56 0.00 -2.12 0.00 0.00 175.29 173.52 1zrr s ALA 40 N -4.06 3.67 -0.24 6.09 0.00 -1.26 -5.00 121.76 120.95 1zrr s ALA 40 Ca 0.27 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.61 1zrr s ALA 40 Cb 0.05 -2.18 -0.27 0.00 0.00 0.00 0.00 23.12 20.73 1zrr s ALA 40 CO 0.06 0.03 0.50 -0.25 0.00 0.00 0.00 175.76 176.09 1zrr n ASP 41 N -1.60 0.77 -4.93 0.00 8.00 -1.26 -4.96 116.55 112.57 1zrr n ASP 41 Ca -0.04 -0.24 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 1zrr n ASP 41 Cb 0.55 1.63 0.05 0.00 -0.02 0.00 0.00 41.12 43.34 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1zrr s ARG 42 N -3.14 2.40 -0.32 -1.24 1.81 -1.26 -5.05 118.95 112.15 1zrr s ARG 42 Ca -0.03 -0.87 -0.17 0.00 -1.72 0.00 0.00 55.73 52.94 1zrr s ARG 42 Cb 0.12 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 32.14 1zrr s ARG 42 CO 0.77 -0.83 0.46 0.34 -0.68 0.00 0.00 175.30 175.36 1zrr s ASP 43 N -4.48 6.30 0.48 0.23 3.68 -1.26 -5.06 116.67 116.56 1zrr s ASP 43 Ca 0.59 0.10 -0.02 0.00 2.13 0.00 0.00 52.55 55.36 1zrr s ASP 43 Cb -0.09 -2.25 -0.01 0.00 -1.45 0.00 0.00 42.92 39.12 1zrr s ASP 43 CO 0.39 -0.37 0.72 -0.76 0.13 0.00 0.00 175.17 175.29 1zrr s LEU 44 N 2.26 3.58 0.00 -1.34 1.43 -1.26 -5.03 118.68 118.33 1zrr s LEU 44 Ca 0.17 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1zrr s LEU 44 Cb -0.16 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1zrr s LEU 44 CO 0.12 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1zrr n GLY 45 N -2.18 0.13 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.20 1zrr n GLY 45 Ca 0.01 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 46 N -1.07 2.61 -0.54 4.61 0.00 -1.26 -4.91 121.76 121.20 1zrr s ALA 46 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.08 1zrr s ALA 46 Cb 0.00 -4.45 0.14 0.00 0.00 0.00 0.00 23.12 18.81 1zrr s ALA 46 CO 0.00 -3.65 0.31 0.00 0.00 0.00 0.00 175.76 172.42 1zrr s ALA 47 N 5.80 3.38 0.04 0.00 0.00 -1.26 -4.92 121.76 124.81 1zrr s ALA 47 Ca 0.46 -3.17 0.14 0.00 0.00 0.00 0.00 51.96 49.39 1zrr s ALA 47 Cb -0.03 -2.36 0.21 0.00 0.00 0.00 0.00 23.12 20.93 1zrr s ALA 47 CO -0.01 -2.01 1.51 -1.00 0.00 0.00 0.00 175.76 174.24 1zrr h PRO 48 N 6.89 0.00 -6.64 0.00 0.13 -2.06 -3.44 132.00 126.88 1zrr h PRO 48 Ca -0.05 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.38 1zrr h PRO 48 Cb 0.93 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.78 1zrr h PRO 48 CO 0.69 0.59 -0.89 0.95 -0.23 0.00 0.00 178.00 179.11 1zrr s THR 49 N -3.15 2.09 -0.38 1.56 -4.23 -1.26 -5.01 115.64 105.26 1zrr s THR 49 Ca 0.02 -1.18 0.22 0.00 -1.18 0.00 0.00 61.69 59.56 1zrr s THR 49 Cb 0.10 -1.74 0.26 0.00 1.34 0.00 0.00 72.50 72.46 1zrr s THR 49 CO 0.75 0.52 1.53 0.00 -0.54 0.00 0.00 174.62 176.88 1zrr h ALA 50 N 5.30 0.91 -1.11 3.99 0.00 -2.00 -3.30 119.26 123.05 1zrr h ALA 50 Ca -0.44 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 50 Cb 1.13 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1zrr h ALA 50 CO 0.46 0.11 0.68 1.49 0.00 0.00 0.00 179.25 181.99 1zrr h GLU 51 N 0.00 0.25 0.05 0.00 4.81 -1.99 1.44 114.58 119.14 1zrr h GLU 51 Ca -0.00 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1zrr h GLU 51 Cb 1.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1zrr h GLU 51 CO 0.01 0.17 -1.08 1.79 -0.73 0.00 0.00 179.01 179.17 1zrr h THR 52 N 0.26 1.63 -0.12 0.32 1.35 -2.00 -3.06 112.91 111.28 1zrr h THR 52 Ca 0.73 -3.24 -0.03 0.00 -0.55 0.00 0.00 66.41 63.32 1zrr h THR 52 Cb 1.93 2.86 -0.00 0.00 -1.73 0.00 0.00 68.15 71.20 1zrr h THR 52 CO -0.48 0.93 -0.04 0.58 -0.25 0.00 0.00 175.52 176.27 1zrr h VAL 53 N 0.03 1.30 -0.72 6.82 2.07 0.16 -2.71 116.25 123.21 1zrr h VAL 53 Ca -0.06 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1zrr h VAL 53 Cb 1.82 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 1zrr h VAL 53 CO 0.16 0.29 0.46 0.40 0.02 0.00 0.00 177.57 178.90 1zrr h ILE 54 N -0.09 1.19 0.00 4.57 1.08 -0.61 -0.20 117.51 123.45 1zrr h ILE 54 Ca 0.03 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1zrr h ILE 54 Cb 0.47 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1zrr h ILE 54 CO 0.01 0.19 -0.06 0.00 -0.69 0.00 0.00 178.15 177.60 1zrr h ALA 55 N 1.53 1.88 0.00 1.87 0.00 -1.41 2.41 119.26 125.54 1zrr h ALA 55 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1zrr h ALA 55 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1zrr h ALA 55 CO -0.05 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1zrr h ALA 56 N 1.94 1.00 -0.00 0.00 0.00 -0.71 -3.21 119.26 118.27 1zrr h ALA 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 56 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zrr h ALA 56 CO 0.01 0.00 -0.06 0.66 0.00 0.00 0.00 179.25 179.86 1zrr n TYR 57 N -2.88 0.00 -0.34 0.00 0.53 -0.01 -4.64 117.16 109.81 1zrr n TYR 57 Ca 0.03 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.06 1zrr n TYR 57 Cb 0.40 0.00 0.36 0.00 -1.03 0.00 0.00 39.34 39.07 1zrr n TYR 57 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1zrr h GLN 58 N 0.09 0.66 -0.81 -0.72 5.75 0.40 0.24 115.11 120.72 1zrr h GLN 58 Ca 0.00 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.59 1zrr h GLN 58 Cb 0.05 -0.15 -0.09 0.00 1.07 0.00 0.00 27.48 28.36 1zrr h GLN 58 CO 0.00 0.44 0.41 1.12 -2.65 0.00 0.00 178.83 178.15 1zrr h HIS 59 N 0.68 0.73 0.80 3.99 2.07 -1.82 2.01 115.15 123.61 1zrr h HIS 59 Ca 0.59 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.10 1zrr h HIS 59 Cb 1.03 -0.20 0.01 0.00 2.57 0.00 0.00 27.41 30.82 1zrr h HIS 59 CO -0.00 0.20 -0.39 0.00 -3.07 0.00 0.00 177.93 174.67 1zrr h ALA 60 N 1.52 -1.08 0.00 6.11 0.00 -0.85 -2.63 119.26 122.32 1zrr h ALA 60 Ca 0.43 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1zrr h ALA 60 Cb 0.55 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1zrr h ALA 60 CO -0.33 -1.06 -0.18 -0.84 0.00 0.00 0.00 179.25 176.84 1zrr h ILE 61 N -1.17 0.98 -0.25 0.00 -0.00 -1.14 -1.66 117.51 114.27 1zrr h ILE 61 Ca -0.11 -0.65 0.07 0.00 -0.00 0.00 0.00 64.86 64.17 1zrr h ILE 61 Cb 0.84 1.37 -0.01 0.00 -0.00 0.00 0.00 36.82 39.01 1zrr h ILE 61 CO 0.18 0.18 0.29 -0.78 -0.00 0.00 0.00 178.15 178.02 1zrr h ASP 62 N 0.00 0.00 0.38 2.16 1.82 0.36 0.12 116.42 121.26 1zrr h ASP 62 Ca -0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 1zrr h ASP 62 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1zrr h ASP 62 CO 0.02 0.00 -1.56 0.07 -1.61 0.00 0.00 179.24 176.16 1zrr h LYS 63 N 0.00 0.33 -0.20 0.28 2.10 -1.16 -2.65 116.57 115.27 1zrr h LYS 63 Ca 0.12 -0.56 -0.06 0.00 -2.00 0.00 0.00 60.65 58.15 1zrr h LYS 63 Cb 0.70 0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1zrr h LYS 63 CO -0.00 1.22 -0.13 1.25 -2.00 0.00 0.00 179.45 179.79 1zrr h LEU 64 N 0.09 0.46 -0.96 7.07 5.85 -0.88 -2.99 115.31 123.94 1zrr h LEU 64 Ca -0.26 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 57.92 1zrr h LEU 64 Cb 2.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 1zrr h LEU 64 CO 0.18 0.79 -0.38 1.62 -0.34 0.00 0.00 178.44 180.31 1zrr h VAL 65 N 0.12 1.30 -0.67 1.05 3.04 -1.06 -2.09 116.25 117.94 1zrr h VAL 65 Ca 0.04 -1.46 0.11 0.00 -1.01 0.00 0.00 66.70 64.39 1zrr h VAL 65 Cb 0.64 1.63 -0.08 0.00 -2.01 0.00 0.00 31.29 31.46 1zrr h VAL 65 CO 0.04 0.44 0.26 0.00 -1.01 0.00 0.00 177.57 177.29 1zrr h ALA 66 N 1.38 0.90 0.00 3.17 0.00 -1.32 2.89 119.26 126.28 1zrr h ALA 66 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zrr h ALA 66 Cb 0.78 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1zrr h ALA 66 CO 0.06 -0.19 -0.00 0.93 0.00 0.00 0.00 179.25 180.05 1zrr h GLU 67 N 0.43 -0.00 -0.49 0.00 4.39 -1.50 -3.29 114.58 114.12 1zrr h GLU 67 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1zrr h GLU 67 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1zrr h GLU 67 CO -0.35 0.97 0.00 1.63 -1.16 0.00 0.00 179.01 180.10 1zrr n LYS 68 N -4.62 1.77 0.00 2.33 4.76 -0.80 -4.93 118.16 116.67 1zrr n LYS 68 Ca -0.10 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 1zrr n LYS 68 Cb 0.47 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 69 N 0.57 0.00 3.82 0.72 0.00 0.96 -4.78 105.19 106.49 1zrr n GLY 69 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1zrr n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zrr s TYR 70 N 0.00 2.79 0.26 1.61 2.02 -1.26 -4.93 117.35 117.84 1zrr s TYR 70 Ca 0.00 1.01 -0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1zrr s TYR 70 Cb 0.00 -3.23 0.37 0.00 -0.40 0.00 0.00 41.96 38.69 1zrr s TYR 70 CO 0.00 -1.90 1.88 0.37 -1.57 0.00 0.00 175.55 174.33 1zrr h GLN 71 N -1.17 1.10 -3.28 -0.62 5.75 -1.87 -3.45 115.11 111.57 1zrr h GLN 71 Ca -0.48 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 57.96 1zrr h GLN 71 Cb 1.29 -0.25 -0.08 0.00 1.07 0.00 0.00 27.48 29.51 1zrr h GLN 71 CO 0.61 0.73 0.07 -1.54 -2.65 0.00 0.00 178.83 176.04 1zrr s SER 72 N -5.88 -0.23 -0.01 -0.69 1.04 -1.22 -5.01 113.70 101.70 1zrr s SER 72 Ca -0.13 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.71 1zrr s SER 72 Cb 0.19 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1zrr s SER 72 CO 0.81 -1.17 -0.07 0.86 0.98 0.00 0.00 173.24 174.65 1zrr s TRP 73 N -3.92 0.69 0.37 5.02 -0.11 -1.26 -1.30 118.94 118.43 1zrr s TRP 73 Ca 0.13 -0.15 -0.16 0.00 1.22 0.00 0.00 56.10 57.14 1zrr s TRP 73 Cb -0.03 -0.49 0.06 0.00 -1.50 0.00 0.00 33.47 31.52 1zrr s TRP 73 CO 0.03 -0.05 0.81 0.34 -4.62 0.00 0.00 176.95 173.46 1zrr s ASP 74 N 0.07 0.01 0.10 5.86 3.68 -0.83 -4.92 116.67 120.64 1zrr s ASP 74 Ca -0.01 -1.12 0.09 0.00 2.13 0.00 0.00 52.55 53.64 1zrr s ASP 74 Cb -0.06 0.83 -0.03 0.00 -1.45 0.00 0.00 42.92 42.21 1zrr s ASP 74 CO -0.00 -1.64 -0.22 0.68 0.13 0.00 0.00 175.17 174.12 1zrr s VAL 75 N -2.26 1.80 -0.31 1.11 -7.23 -1.26 -0.63 120.40 111.61 1zrr s VAL 75 Ca 0.16 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 1zrr s VAL 75 Cb -0.05 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1zrr s VAL 75 CO 0.11 -0.00 0.21 -0.63 -0.31 0.00 0.00 175.10 174.47 1zrr s ILE 76 N -1.10 5.16 -0.30 -0.62 1.01 -0.72 -4.87 121.20 119.76 1zrr s ILE 76 Ca 0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1zrr s ILE 76 Cb -0.10 -3.58 0.19 0.00 0.01 0.00 0.00 42.46 38.98 1zrr s ILE 76 CO 0.04 0.10 0.91 -0.94 0.00 0.00 0.00 174.94 175.04 1zrr s SER 77 N 1.71 -0.79 0.56 3.58 1.04 -1.25 -2.89 113.70 115.66 1zrr s SER 77 Ca 0.06 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1zrr s SER 77 Cb -0.17 1.52 0.04 0.00 0.10 0.00 0.00 66.02 67.52 1zrr s SER 77 CO 0.10 -0.14 0.37 -0.22 0.98 0.00 0.00 173.24 174.33 1zrr s LEU 78 N 2.92 2.57 0.15 2.42 0.20 -1.26 -4.93 118.68 120.75 1zrr s LEU 78 Ca 0.19 -1.35 -0.15 0.00 0.69 0.00 0.00 54.13 53.52 1zrr s LEU 78 Cb -0.06 -1.05 -0.07 0.00 -0.43 0.00 0.00 46.19 44.58 1zrr s LEU 78 CO -0.22 -1.15 0.57 -0.60 -0.29 0.00 0.00 176.35 174.66 1zrr s ARG 79 N -4.27 4.02 0.00 1.98 3.00 -1.26 -4.04 118.95 118.37 1zrr s ARG 79 Ca 0.29 0.54 0.01 0.00 -1.00 0.00 0.00 55.73 55.57 1zrr s ARG 79 Cb -0.02 -2.93 0.05 0.00 0.00 0.00 0.00 34.95 32.04 1zrr s ARG 79 CO 0.18 0.47 0.44 0.00 0.00 0.00 0.00 175.30 176.40 1zrr n ALA 80 N 0.82 1.54 0.04 6.12 0.00 -1.26 -1.27 120.51 126.50 1zrr n ALA 80 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1zrr n ALA 80 Cb 0.52 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1zrr n ALA 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1zrr h ASP 81 N 0.00 0.00 -2.64 0.00 3.58 -1.94 -3.45 116.42 111.97 1zrr h ASP 81 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1zrr h ASP 81 Cb 0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 1zrr h ASP 81 CO 0.00 0.83 1.04 0.54 -2.88 0.00 0.00 179.24 178.77 1zrr s ASN 82 N -6.26 6.59 0.00 2.28 6.03 -0.39 -4.86 114.94 118.33 1zrr s ASN 82 Ca -0.01 2.48 0.28 0.00 -1.03 0.00 0.00 52.86 54.57 1zrr s ASN 82 Cb 0.09 -2.56 1.26 0.00 -3.03 0.00 0.00 41.25 37.01 1zrr s ASN 82 CO 0.81 -0.91 1.92 -0.81 -2.03 0.00 0.00 177.10 176.08 1zrr n PRO 83 N 6.01 0.10 -0.06 3.55 -0.04 -1.26 -3.19 135.00 140.11 1zrr n PRO 83 Ca 0.16 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1zrr n PRO 83 Cb 0.41 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.78 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.45 1.74 -0.07 0.54 6.02 -1.26 -4.09 117.38 118.81 1zrr n GLN 84 Ca 0.08 -1.11 -0.10 0.00 -0.01 0.00 0.00 57.00 55.87 1zrr n GLN 84 Cb 0.30 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1zrr h LYS 85 N 2.35 0.34 -0.51 -1.09 2.10 -1.93 0.31 116.57 118.13 1zrr h LYS 85 Ca 0.00 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 1zrr h LYS 85 Cb 0.51 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 1zrr h LYS 85 CO 0.00 0.27 0.13 0.93 -2.00 0.00 0.00 179.45 178.78 1zrr h GLU 86 N 0.31 0.82 -0.25 0.07 5.08 -1.85 -2.41 114.58 116.34 1zrr h GLU 86 Ca 0.09 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1zrr h GLU 86 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1zrr h GLU 86 CO -0.02 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.67 1zrr h ALA 87 N 1.00 1.35 0.02 3.43 0.00 -1.68 -2.32 119.26 121.05 1zrr h ALA 87 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1zrr h ALA 87 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zrr h ALA 87 CO 0.00 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.93 1zrr h LEU 88 N 0.39 -0.02 -1.89 0.00 5.85 0.08 -2.29 115.31 117.43 1zrr h LEU 88 Ca 0.08 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1zrr h LEU 88 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1zrr h LEU 88 CO 0.02 0.11 -0.12 0.08 -0.34 0.00 0.00 178.44 178.20 1zrr h ARG 89 N -0.15 0.00 0.74 1.25 0.11 -1.29 -2.95 114.38 112.10 1zrr h ARG 89 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1zrr h ARG 89 Cb 0.14 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.23 1zrr h ARG 89 CO 0.00 0.12 -0.36 0.93 0.10 0.00 0.00 179.97 180.76 1zrr h GLU 90 N 0.00 -0.96 -0.52 0.08 4.39 -0.86 0.23 114.58 116.94 1zrr h GLU 90 Ca -0.00 0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.92 1zrr h GLU 90 Cb 0.34 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1zrr h GLU 90 CO 0.02 -0.64 0.45 0.87 -1.16 0.00 0.00 179.01 178.54 1zrr h LYS 91 N -1.27 0.00 0.00 2.33 1.57 -1.39 0.65 116.57 118.46 1zrr h LYS 91 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1zrr h LYS 91 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1zrr h LYS 91 CO 0.17 0.00 -0.53 0.35 -0.57 0.00 0.00 179.45 178.87 1zrr h PHE 92 N 0.00 0.00 -0.78 -1.35 3.04 -1.31 -3.32 116.94 113.22 1zrr h PHE 92 Ca 0.25 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.28 1zrr h PHE 92 Cb 1.14 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.60 1zrr h PHE 92 CO 0.00 0.00 0.51 1.25 -2.02 0.00 0.00 178.31 178.05 1zrr h LEU 93 N 0.00 0.69 -9.29 0.59 7.12 0.38 -3.36 115.31 111.44 1zrr h LEU 93 Ca 0.00 0.01 -0.65 0.00 0.13 0.00 0.00 57.88 57.37 1zrr h LEU 93 Cb 0.92 -0.14 0.09 0.00 -0.53 0.00 0.00 40.66 41.01 1zrr h LEU 93 CO 0.00 0.43 0.04 0.59 -0.13 0.00 0.00 178.44 179.37 1zrr n ASN 94 N -4.49 0.70 -4.74 1.25 4.13 -1.24 -4.56 115.26 106.30 1zrr n ASN 94 Ca 0.12 1.15 -0.30 0.00 1.68 0.00 0.00 54.58 57.24 1zrr n ASN 94 Cb 0.27 -1.17 0.12 0.00 -1.54 0.00 0.00 39.78 37.47 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1zrr s GLU 95 N -0.87 1.52 0.00 3.52 -1.05 -1.26 -4.80 118.70 115.76 1zrr s GLU 95 Ca 0.68 0.81 0.00 0.00 -0.15 0.00 0.00 54.97 56.30 1zrr s GLU 95 Cb -0.84 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 1zrr s GLU 95 CO 0.56 -2.05 0.00 -2.39 0.95 0.00 0.00 175.26 172.32 1zrr n HIS 96 N -3.75 -0.15 -3.64 4.83 1.44 -1.04 -4.28 115.22 108.62 1zrr n HIS 96 Ca 0.07 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 1zrr n HIS 96 Cb 0.55 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.59 1zrr n HIS 96 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1zrr s THR 97 N -2.21 0.00 0.16 0.61 -1.32 -1.21 -2.45 115.64 109.22 1zrr s THR 97 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1zrr s THR 97 CO 0.00 0.00 0.19 -1.00 -2.21 0.00 0.00 174.62 171.60 1zrr s HIS 98 N 1.00 3.26 -1.34 9.09 0.09 -1.26 -1.58 115.29 124.54 1zrr s HIS 98 Ca -0.05 0.03 0.26 0.00 -0.00 0.00 0.00 55.06 55.30 1zrr s HIS 98 Cb -0.05 -1.57 1.28 0.00 -0.00 0.00 0.00 32.58 32.25 1zrr s HIS 98 CO -0.11 0.52 1.88 0.41 -0.00 0.00 0.00 174.74 177.43 1zrr n GLY 99 N -0.40 -1.20 3.54 -2.22 0.00 -1.03 -1.80 105.19 102.07 1zrr n GLY 99 Ca -0.08 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1zrr n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrr s GLU 100 N -2.66 1.81 0.35 1.61 2.02 -1.26 -4.77 118.70 115.81 1zrr s GLU 100 Ca 0.22 -2.02 -0.26 0.00 0.02 0.00 0.00 54.97 52.93 1zrr s GLU 100 Cb 0.17 -1.26 -0.09 0.00 0.10 0.00 0.00 34.13 33.05 1zrr s GLU 100 CO 0.41 -0.12 1.10 -0.51 0.02 0.00 0.00 175.26 176.16 1zrr s ASP 101 N -3.60 6.91 -0.64 -0.19 1.01 -1.26 -3.89 116.67 115.01 1zrr s ASP 101 Ca 0.36 2.20 -0.11 0.00 0.71 0.00 0.00 52.55 55.71 1zrr s ASP 101 Cb 0.09 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.58 1zrr s ASP 101 CO 0.17 -0.39 0.54 -0.70 0.21 0.00 0.00 175.17 175.00 1zrr s GLU 102 N -2.03 2.98 0.01 8.23 2.12 -0.44 -4.91 118.70 124.66 1zrr s GLU 102 Ca 0.52 -2.17 -0.28 0.00 0.36 0.00 0.00 54.97 53.40 1zrr s GLU 102 Cb -0.28 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 29.95 1zrr s GLU 102 CO 0.35 -1.25 0.91 0.08 -0.54 0.00 0.00 175.26 174.81 1zrr s VAL 103 N 0.67 4.83 -0.22 3.70 1.01 -1.26 -2.35 120.40 126.78 1zrr s VAL 103 Ca 0.12 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 1zrr s VAL 103 Cb -0.20 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 31.99 1zrr s VAL 103 CO -0.04 0.22 -0.01 -0.13 0.00 0.00 0.00 175.10 175.15 1zrr s ARG 104 N 0.72 1.14 -0.16 2.72 1.81 -1.14 -4.56 118.95 119.47 1zrr s ARG 104 Ca 0.47 -0.73 -0.06 0.00 -1.72 0.00 0.00 55.73 53.69 1zrr s ARG 104 Cb -0.21 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 1zrr s ARG 104 CO 0.26 -0.63 0.04 0.12 -0.68 0.00 0.00 175.30 174.41 1zrr s PHE 105 N 1.62 3.22 -0.06 -0.53 2.19 -1.20 -3.07 117.98 120.15 1zrr s PHE 105 Ca -0.03 0.04 -0.20 0.00 0.33 0.00 0.00 56.93 57.08 1zrr s PHE 105 Cb -0.18 -2.02 -0.05 0.00 -1.31 0.00 0.00 43.02 39.47 1zrr s PHE 105 CO -0.08 0.19 0.55 -0.06 1.83 0.00 0.00 175.22 177.65 1zrr s PHE 106 N 0.16 3.59 -0.07 10.12 0.08 -1.26 -0.50 117.98 130.11 1zrr s PHE 106 Ca 0.03 1.06 0.05 0.00 0.12 0.00 0.00 56.93 58.20 1zrr s PHE 106 Cb -0.13 -2.60 -0.08 0.00 -0.57 0.00 0.00 43.02 39.65 1zrr s PHE 106 CO 0.01 0.25 0.01 0.28 -0.10 0.00 0.00 175.22 175.67 1zrr n VAL 107 N 3.26 0.46 -3.53 -0.44 0.31 0.14 -4.49 118.33 114.03 1zrr n VAL 107 Ca -0.06 -0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 1zrr n VAL 107 Cb 0.51 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.59 1zrr n VAL 107 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1zrr s GLU 108 N -2.16 0.74 0.05 5.55 2.56 0.46 -4.89 118.70 121.00 1zrr s GLU 108 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.97 54.82 1zrr s GLU 108 Cb 0.02 0.34 0.00 0.00 2.00 0.00 0.00 34.13 36.49 1zrr s GLU 108 CO 0.26 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.08 1zrr n GLY 109 N 0.16 -2.78 3.52 -1.50 0.00 -1.26 -0.07 105.19 103.25 1zrr n GLY 109 Ca -0.09 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -3.54 2.79 0.00 4.61 0.00 -1.26 -4.78 121.76 119.57 1zrr s ALA 110 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1zrr s ALA 110 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1zrr s ALA 110 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1zrr n GLY 111 N 0.94 5.37 3.06 0.00 0.00 -1.26 -4.93 105.19 108.37 1zrr n GLY 111 Ca -0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 1zrr n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zrr s LEU 112 N 0.00 2.35 0.06 0.99 2.96 -1.25 -4.80 118.68 118.98 1zrr s LEU 112 Ca 0.00 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.28 1zrr s LEU 112 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 1zrr s LEU 112 CO 0.00 -0.37 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.06 1zrr s PHE 113 N -2.39 2.08 -0.23 5.38 0.40 -0.97 -4.72 117.98 117.52 1zrr s PHE 113 Ca -0.04 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1zrr s PHE 113 Cb -0.03 -1.22 0.11 0.00 0.51 0.00 0.00 43.02 42.39 1zrr s PHE 113 CO -0.03 0.14 0.29 0.00 0.70 0.00 0.00 175.22 176.31 1zrr s LEU 115 N 2.41 3.16 -0.33 0.00 1.98 -0.75 -4.22 118.68 120.93 1zrr s LEU 115 Ca 0.09 -1.16 -0.09 0.00 -2.89 0.00 0.00 54.13 50.08 1zrr s LEU 115 Cb -0.15 -1.56 0.01 0.00 0.66 0.00 0.00 46.19 45.14 1zrr s LEU 115 CO -0.16 -0.15 0.16 -2.28 -1.89 0.00 0.00 176.35 172.03 1zrr s HIS 116 N 1.18 3.20 -0.11 5.38 5.65 -1.13 -1.64 115.29 127.82 1zrr s HIS 116 Ca -0.04 -0.82 -0.01 0.00 0.25 0.00 0.00 55.06 54.44 1zrr s HIS 116 Cb -0.18 -2.37 0.03 0.00 -1.18 0.00 0.00 32.58 28.88 1zrr s HIS 116 CO -0.06 -0.56 -0.04 -1.50 -0.65 0.00 0.00 174.74 171.92 1zrr s ILE 117 N 1.56 0.80 0.00 0.89 2.07 -1.22 -3.80 121.20 121.50 1zrr s ILE 117 Ca 0.03 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1zrr s ILE 117 Cb -0.18 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.52 1zrr s ILE 117 CO 0.06 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 1zrr n GLY 118 N 5.01 0.97 3.19 1.50 0.00 -1.26 -3.73 105.19 110.87 1zrr n GLY 118 Ca -0.10 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1zrr n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zrr n ASP 119 N 1.79 4.93 -3.67 1.61 5.68 -1.26 -4.96 116.55 120.67 1zrr n ASP 119 Ca 0.00 -3.11 -0.06 0.00 -0.50 0.00 0.00 54.79 51.12 1zrr n ASP 119 Cb 0.00 -1.21 -0.02 0.00 -1.14 0.00 0.00 41.12 38.76 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1zrr s GLU 120 N -1.45 1.18 0.10 0.11 2.12 -1.24 -4.70 118.70 114.81 1zrr s GLU 120 Ca 0.30 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 55.10 1zrr s GLU 120 Cb -0.07 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.73 1zrr s GLU 120 CO -0.09 -0.53 -0.14 0.08 -0.54 0.00 0.00 175.26 174.03 1zrr s VAL 121 N -3.37 1.23 -0.06 3.70 1.01 -1.21 -3.38 120.40 118.32 1zrr s VAL 121 Ca 0.09 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.59 1zrr s VAL 121 Cb -0.02 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1zrr s VAL 121 CO -0.02 -0.31 -0.12 -0.36 0.00 0.00 0.00 175.10 174.29 1zrr s PHE 122 N -1.68 1.37 -0.17 5.22 0.08 -0.65 -3.78 117.98 118.35 1zrr s PHE 122 Ca 0.03 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1zrr s PHE 122 Cb -0.07 -1.00 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1zrr s PHE 122 CO 0.03 -0.23 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.20 1zrr s GLN 123 N 0.55 1.53 -0.09 0.44 -0.21 0.11 -1.80 119.66 120.18 1zrr s GLN 123 Ca -0.12 -0.58 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 1zrr s GLN 123 Cb -0.14 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 1zrr s GLN 123 CO 0.03 -0.43 -0.02 0.08 -2.12 0.00 0.00 175.29 172.82 1zrr s VAL 124 N 1.59 4.08 -0.39 1.09 1.01 -1.19 0.71 120.40 127.29 1zrr s VAL 124 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1zrr s VAL 124 Cb -0.15 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.65 1zrr s VAL 124 CO -0.08 0.58 0.22 -0.76 0.00 0.00 0.00 175.10 175.06 1zrr s LEU 125 N -0.63 1.87 -0.28 3.92 1.02 -1.17 -2.30 118.68 121.11 1zrr s LEU 125 Ca 0.10 -2.38 -0.21 0.00 0.02 0.00 0.00 54.13 51.66 1zrr s LEU 125 Cb -0.12 -0.73 0.12 0.00 0.02 0.00 0.00 46.19 45.48 1zrr s LEU 125 CO 0.02 -0.29 0.93 0.00 0.02 0.00 0.00 176.35 177.03 1zrr s GLU 127 N 0.81 2.75 0.23 0.00 -1.05 -1.26 -4.92 118.70 115.26 1zrr s GLU 127 Ca -0.03 -2.16 0.10 0.00 -0.15 0.00 0.00 54.97 52.73 1zrr s GLU 127 Cb -0.05 -3.98 -0.04 0.00 -0.44 0.00 0.00 34.13 29.62 1zrr s GLU 127 CO -0.10 -1.21 -0.07 0.15 0.95 0.00 0.00 175.26 174.98 1zrr s LYS 128 N 0.66 2.11 0.00 -4.83 1.02 -1.26 -4.96 119.74 112.48 1zrr s LYS 128 Ca 0.12 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1zrr s LYS 128 Cb -0.21 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1zrr s LYS 128 CO -0.03 0.39 0.67 0.09 -0.92 0.00 0.00 175.35 175.54 1zrr n ASN 129 N -0.47 0.00 -4.79 2.83 5.03 -1.26 -4.57 115.26 112.03 1zrr n ASN 129 Ca -0.08 0.19 -0.34 0.00 0.87 0.00 0.00 54.58 55.22 1zrr n ASN 129 Cb 0.58 -0.19 0.01 0.00 -1.02 0.00 0.00 39.78 39.16 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1zrr s ASP 130 N -2.33 5.72 0.24 6.41 1.47 -1.26 -4.12 116.67 122.79 1zrr s ASP 130 Ca 0.00 1.97 0.07 0.00 1.18 0.00 0.00 52.55 55.77 1zrr s ASP 130 Cb 0.00 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.97 1zrr s ASP 130 CO 0.00 -1.21 -0.11 -1.48 0.68 0.00 0.00 175.17 173.05 1zrr s LEU 131 N -4.22 2.51 -0.06 2.11 0.05 -1.21 -4.11 118.68 113.76 1zrr s LEU 131 Ca 0.67 -1.09 0.02 0.00 0.05 0.00 0.00 54.13 53.78 1zrr s LEU 131 Cb -0.19 -0.65 0.01 0.00 -2.05 0.00 0.00 46.19 43.31 1zrr s LEU 131 CO 0.32 -0.24 -0.11 -0.63 -0.55 0.00 0.00 176.35 175.14 1zrr s ILE 132 N -2.99 1.01 -0.11 1.48 1.01 -1.17 -3.73 121.20 116.69 1zrr s ILE 132 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1zrr s ILE 132 Cb 0.01 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1zrr s ILE 132 CO 0.09 0.32 0.00 -0.55 0.00 0.00 0.00 174.94 174.81 1zrr s SER 133 N 0.63 5.22 -0.16 3.58 0.15 -1.26 -2.87 113.70 118.99 1zrr s SER 133 Ca -0.13 0.09 -0.07 0.00 0.70 0.00 0.00 55.95 56.54 1zrr s SER 133 Cb -0.15 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1zrr s SER 133 CO 0.03 0.32 0.10 -0.69 1.20 0.00 0.00 173.24 174.19 1zrr s VAL 134 N -0.50 5.11 0.60 4.45 1.01 -0.99 -3.62 120.40 126.46 1zrr s VAL 134 Ca 0.09 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1zrr s VAL 134 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1zrr s VAL 134 CO 0.02 0.51 1.17 -2.16 0.00 0.00 0.00 175.10 174.64 1zrr s PRO 135 N -0.13 2.97 0.21 2.72 0.04 -1.26 -1.32 135.00 138.22 1zrr s PRO 135 Ca 0.09 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1zrr s PRO 135 Cb -0.12 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1zrr s PRO 135 CO 0.01 -1.17 1.28 0.00 0.04 0.00 0.00 177.00 177.15 1zrr s ALA 136 N -1.82 3.50 0.00 8.56 0.00 -1.25 -2.81 121.76 127.94 1zrr s ALA 136 Ca 0.74 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1zrr s ALA 136 Cb -0.27 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1zrr s ALA 136 CO 0.34 -0.50 0.00 1.58 0.00 0.00 0.00 175.76 177.18 1zrr n HIS 137 N 2.44 0.00 -3.91 0.00 -0.00 -0.74 -4.93 115.22 108.08 1zrr n HIS 137 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 1zrr n HIS 137 Cb 0.43 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.99 30.30 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1zrr s THR 138 N -2.00 4.64 0.18 3.57 2.01 -1.12 -5.01 115.64 117.90 1zrr s THR 138 Ca 0.00 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 1zrr s THR 138 Cb 0.00 -3.13 -0.10 0.00 0.01 0.00 0.00 72.50 69.28 1zrr s THR 138 CO 0.00 0.40 1.57 -2.16 -0.69 0.00 0.00 174.62 173.74 1zrr s PRO 139 N 0.90 4.21 0.08 4.92 0.04 -1.25 -4.64 135.00 139.26 1zrr s PRO 139 Ca 0.04 2.37 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 1zrr s PRO 139 Cb -0.14 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1zrr s PRO 139 CO 0.03 -0.60 0.93 -3.38 0.04 0.00 0.00 177.00 174.02 1zrr s HIS 140 N 1.01 -0.23 0.00 0.56 -3.43 -1.03 -2.85 115.29 109.33 1zrr s HIS 140 Ca 0.69 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1zrr s HIS 140 Cb -0.44 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1zrr s HIS 140 CO 0.33 -0.69 0.00 -2.67 -2.00 0.00 0.00 174.74 169.70 1zrr n TRP 141 N -0.37 0.00 -3.46 0.38 2.14 -1.26 -2.50 117.44 112.37 1zrr n TRP 141 Ca -0.07 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.51 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 1zrr n TRP 141 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1zrr s PHE 142 N 1.22 -0.30 -0.04 -2.67 2.19 -1.26 -4.80 117.98 112.32 1zrr s PHE 142 Ca 0.00 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 57.80 1zrr s PHE 142 Cb 0.00 0.18 0.03 0.00 -1.31 0.00 0.00 43.02 41.92 1zrr s PHE 142 CO 0.00 -0.15 0.08 0.16 1.83 0.00 0.00 175.22 177.14 1zrr s ASP 143 N 1.69 -0.02 -0.13 6.13 3.84 -1.26 -4.03 116.67 122.88 1zrr s ASP 143 Ca -0.05 0.15 0.15 0.00 -0.00 0.00 0.00 52.55 52.81 1zrr s ASP 143 Cb -0.03 0.06 0.43 0.00 -1.38 0.00 0.00 42.92 42.00 1zrr s ASP 143 CO -0.14 -0.11 1.33 0.23 -0.00 0.00 0.00 175.17 176.48 1zrr n MET 144 N 3.96 2.68 0.00 2.11 2.81 -1.26 -3.96 117.12 123.45 1zrr n MET 144 Ca -0.24 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.04 1zrr n MET 144 Cb 0.53 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zrr n GLY 145 N -0.47 0.00 3.60 3.03 0.00 -1.25 -2.96 105.19 107.15 1zrr n GLY 145 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrr s SER 146 N 0.00 6.64 -0.24 1.61 0.01 -1.26 -4.87 113.70 115.58 1zrr s SER 146 Ca 0.00 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.84 1zrr s SER 146 Cb 0.00 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.86 1zrr s SER 146 CO 0.00 -0.67 -0.10 -1.83 0.41 0.00 0.00 173.24 171.04 1zrr s GLU 147 N 3.05 2.57 -0.61 12.44 -1.05 -1.15 -4.93 118.70 129.02 1zrr s GLU 147 Ca 0.33 -1.13 -0.00 0.00 -0.15 0.00 0.00 54.97 54.01 1zrr s GLU 147 Cb -0.14 -2.88 0.45 0.00 -0.44 0.00 0.00 34.13 31.12 1zrr s GLU 147 CO 0.14 -0.46 1.90 -0.35 0.95 0.00 0.00 175.26 177.44 1zrr n PRO 148 N 4.55 2.85 -1.37 -4.83 -0.04 -1.26 -4.62 135.00 130.28 1zrr n PRO 148 Ca -0.16 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 59.86 1zrr n PRO 148 Cb 0.45 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1zrr n PRO 148 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zrr n ASN 149 N -0.88 -1.82 -4.82 3.54 4.05 -1.26 -4.76 115.26 109.30 1zrr n ASN 149 Ca 0.60 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 55.25 1zrr n ASN 149 Cb 0.70 -0.91 -0.06 0.00 1.23 0.00 0.00 39.78 40.74 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1zrr s PHE 150 N -2.45 3.67 -0.28 1.20 -0.12 -1.26 -4.67 117.98 114.07 1zrr s PHE 150 Ca 0.00 0.87 -0.09 0.00 -0.05 0.00 0.00 56.93 57.66 1zrr s PHE 150 Cb 0.00 -2.26 -0.03 0.00 -0.63 0.00 0.00 43.02 40.10 1zrr s PHE 150 CO 0.00 0.58 0.13 0.99 -0.05 0.00 0.00 175.22 176.88 1zrr s THR 151 N -0.79 4.73 0.12 -4.49 2.01 0.89 -3.79 115.64 114.33 1zrr s THR 151 Ca 0.22 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 1zrr s THR 151 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1zrr s THR 151 CO 0.11 0.23 0.14 0.00 -0.69 0.00 0.00 174.62 174.41 1zrr s ALA 152 N 1.66 0.31 -0.18 7.40 0.00 -1.14 0.24 121.76 130.06 1zrr s ALA 152 Ca 0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1zrr s ALA 152 Cb -0.16 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1zrr s ALA 152 CO 0.07 -0.52 -0.03 0.42 0.00 0.00 0.00 175.76 175.70 1zrr s ILE 153 N -3.96 3.83 0.14 0.00 1.01 0.34 -1.76 121.20 120.80 1zrr s ILE 153 Ca 0.15 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1zrr s ILE 153 Cb 0.06 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1zrr s ILE 153 CO -0.03 0.46 -0.13 -0.60 0.00 0.00 0.00 174.94 174.64 1zrr s ARG 154 N 0.70 1.07 0.06 2.79 6.06 0.19 -3.21 118.95 126.62 1zrr s ARG 154 Ca -0.01 -1.36 0.01 0.00 -2.50 0.00 0.00 55.73 51.87 1zrr s ARG 154 Cb -0.14 -0.82 -0.04 0.00 0.06 0.00 0.00 34.95 34.01 1zrr s ARG 154 CO 0.02 0.14 0.14 0.42 -2.50 0.00 0.00 175.30 173.51 1zrr s ILE 155 N -2.68 4.94 -0.26 4.11 -1.09 -1.26 -1.97 121.20 122.99 1zrr s ILE 155 Ca 0.13 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.87 1zrr s ILE 155 Cb -0.02 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1zrr s ILE 155 CO 0.03 0.17 0.35 -0.36 -1.23 0.00 0.00 174.94 173.89 1zrr s PHE 156 N -1.41 3.26 0.17 3.97 0.40 -0.42 -4.91 117.98 119.04 1zrr s PHE 156 Ca 0.31 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 57.06 1zrr s PHE 156 Cb -0.13 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 1zrr s PHE 156 CO 0.23 -0.18 -0.03 0.16 0.70 0.00 0.00 175.22 176.10 1zrr s ASP 157 N 1.55 1.42 0.38 1.36 3.84 -1.26 -3.40 116.67 120.57 1zrr s ASP 157 Ca 0.14 -1.12 0.01 0.00 -0.00 0.00 0.00 52.55 51.58 1zrr s ASP 157 Cb -0.16 0.07 -0.02 0.00 -1.38 0.00 0.00 42.92 41.43 1zrr s ASP 157 CO 0.10 -0.49 0.58 0.54 -0.00 0.00 0.00 175.17 175.89 1zrr s ASN 158 N -3.17 6.11 0.02 2.11 2.20 -1.26 -5.03 114.94 115.91 1zrr s ASN 158 Ca 0.21 0.33 -0.27 0.00 -0.94 0.00 0.00 52.86 52.20 1zrr s ASN 158 Cb 0.05 -1.79 -0.16 0.00 -2.00 0.00 0.00 41.25 37.35 1zrr s ASN 158 CO 0.03 -0.44 1.25 1.55 -2.94 0.00 0.00 177.10 176.54 1zrr h PRO 159 N 0.65 -0.72 0.00 3.55 0.13 -2.02 -2.61 132.00 130.98 1zrr h PRO 159 Ca -0.48 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1zrr h PRO 159 Cb 1.23 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1zrr h PRO 159 CO 0.59 -0.41 0.55 0.39 -0.23 0.00 0.00 178.00 178.89 1zrr n GLU 160 N -5.32 0.03 0.08 0.86 1.02 -1.26 0.29 120.64 116.35 1zrr n GLU 160 Ca -0.11 0.41 -0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1zrr n GLU 160 Cb 0.33 -2.15 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1zrr n GLU 160 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1zrr h GLY 161 N 0.00 0.23 -2.44 0.62 0.00 -1.87 -3.46 103.07 96.16 1zrr h GLY 161 Ca 0.00 -0.44 -0.60 0.00 0.00 0.00 0.00 47.33 46.29 1zrr h GLY 161 CO 0.00 0.39 -0.74 0.66 0.00 0.00 0.00 176.54 176.84 1zrr s TRP 162 N -3.11 2.39 0.02 5.60 -2.14 0.84 -2.48 118.94 120.06 1zrr s TRP 162 Ca -0.03 -0.31 -0.01 0.00 2.66 0.00 0.00 56.10 58.41 1zrr s TRP 162 Cb 0.10 -1.06 -0.04 0.00 -3.10 0.00 0.00 33.47 29.37 1zrr s TRP 162 CO 0.84 0.67 0.17 0.42 -2.66 0.00 0.00 176.95 176.38 1zrr s ILE 163 N -2.34 5.26 0.00 0.66 -1.09 -0.62 -4.89 121.20 118.18 1zrr s ILE 163 Ca 0.29 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1zrr s ILE 163 Cb -0.06 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1zrr s ILE 163 CO 0.15 0.27 0.87 0.00 -1.23 0.00 0.00 174.94 175.00 1zrr n ALA 164 N 0.78 -0.32 -2.25 9.38 0.00 -1.26 -3.35 120.51 123.48 1zrr n ALA 164 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1zrr n ALA 164 Cb 0.52 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 1zrr n ALA 164 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zrr s GLN 165 N -2.47 0.97 -0.26 0.00 1.11 -1.26 -3.54 119.66 114.21 1zrr s GLN 165 Ca 0.00 -1.39 -0.00 0.00 0.01 0.00 0.00 55.36 53.98 1zrr s GLN 165 Cb 0.00 0.27 -0.16 0.00 -1.01 0.00 0.00 33.01 32.10 1zrr s GLN 165 CO 0.00 -0.29 -0.25 0.34 0.01 0.00 0.00 175.29 175.10 1zrr n PHE 166 N -0.11 0.00 -0.07 0.91 7.35 -1.26 -4.66 117.46 119.61 1zrr n PHE 166 Ca -0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.55 1zrr n PHE 166 Cb 0.64 -1.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.35 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1zrr n THR 167 N -3.40 1.03 0.00 -2.13 -1.04 -1.26 -5.00 114.28 102.47 1zrr n THR 167 Ca -0.47 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 60.92 1zrr n THR 167 Cb 0.97 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zrr n GLY 168 N 2.11 0.33 3.82 3.41 0.00 -1.26 -5.08 105.19 108.52 1zrr n GLY 168 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1zrr n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zrr s ASP 169 N -2.22 6.93 -0.77 1.61 1.01 -1.26 -5.02 116.67 116.94 1zrr s ASP 169 Ca 0.00 1.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.77 1zrr s ASP 169 Cb 0.00 -2.49 0.20 0.00 1.01 0.00 0.00 42.92 41.64 1zrr s ASP 169 CO 0.00 -0.28 0.65 1.51 0.21 0.00 0.00 175.17 177.26 1zrr s ASP 170 N -2.14 5.95 0.25 0.27 3.84 -1.26 -4.77 116.67 118.80 1zrr s ASP 170 Ca 0.58 -3.05 0.13 0.00 -0.00 0.00 0.00 52.55 50.22 1zrr s ASP 170 Cb -0.10 -1.99 0.10 0.00 -1.38 0.00 0.00 42.92 39.55 1zrr s ASP 170 CO 0.15 -0.38 1.45 -0.29 -0.00 0.00 0.00 175.17 176.11 1zrr h ILE 171 N 4.77 1.15 -0.77 2.11 2.10 -1.95 -3.21 117.51 121.71 1zrr h ILE 171 Ca 0.07 -2.46 0.04 0.00 1.08 0.00 0.00 64.86 63.59 1zrr h ILE 171 Cb 0.94 2.45 -0.05 0.00 -1.09 0.00 0.00 36.82 39.08 1zrr h ILE 171 CO 0.77 0.62 0.48 0.00 -1.08 0.00 0.00 178.15 178.94 1zrr h ALA 172 N 1.37 1.02 0.00 0.18 0.00 -1.88 0.86 119.26 120.80 1zrr h ALA 172 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 172 Cb 1.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1zrr h ALA 172 CO 0.08 0.26 0.03 -1.13 0.00 0.00 0.00 179.25 178.49 1zrr n SER 173 N -4.64 0.00 0.12 0.00 3.41 -1.21 -1.43 113.62 109.88 1zrr n SER 173 Ca 0.09 0.08 -0.24 0.00 -0.26 0.00 0.00 58.87 58.55 1zrr n SER 173 Cb 0.11 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zrr h ALA 174 N 1.45 -0.09 -0.32 7.33 0.00 -1.02 -3.36 119.26 123.25 1zrr h ALA 174 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1zrr h ALA 174 Cb 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1zrr h ALA 174 CO 0.00 0.70 -0.00 0.66 0.00 0.00 0.00 179.25 180.61 1zrr n TYR 175 N -3.75 1.07 0.31 0.00 4.01 -0.51 -4.78 117.16 113.52 1zrr n TYR 175 Ca -0.15 -1.18 0.20 0.00 -0.16 0.00 0.00 57.90 56.60 1zrr n TYR 175 Cb 1.05 -0.40 0.96 0.00 -0.31 0.00 0.00 39.34 40.64 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1zrr h PRO 176 N 1.45 0.00 -5.76 -0.72 0.13 -1.71 -3.42 132.00 121.97 1zrr h PRO 176 Ca 0.11 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 176 Cb 1.58 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.63 1zrr h PRO 176 CO 0.32 0.00 0.04 1.03 -0.23 0.00 0.00 178.00 179.16 1zrr s ARG 177 N -3.92 4.30 0.28 0.86 1.81 -1.26 -3.75 118.95 117.27 1zrr s ARG 177 Ca -0.02 0.63 -0.17 0.00 -1.72 0.00 0.00 55.73 54.46 1zrr s ARG 177 Cb 0.11 -3.51 -0.09 0.00 -0.45 0.00 0.00 34.95 31.01 1zrr s ARG 177 CO 0.48 -0.06 0.72 -0.51 -0.68 0.00 0.00 175.30 175.24 1zrr s LEU 178 N 1.31 4.18 0.00 2.53 1.02 -1.26 -4.94 118.68 121.52 1zrr s LEU 178 Ca 0.30 1.31 0.00 0.00 0.02 0.00 0.00 54.13 55.76 1zrr s LEU 178 Cb -0.16 -3.85 0.00 0.00 0.02 0.00 0.00 46.19 42.20 1zrr s LEU 178 CO 0.12 -0.10 0.00 0.00 0.02 0.00 0.00 176.35 176.39