#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 4.35 -0.29 7.33 0.00 -1.20 -3.19 121.76 128.76 1zrr s ALA 2 Ca 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.26 1zrr s ALA 2 Cb 0.00 -1.74 0.14 0.00 0.00 0.00 0.00 23.12 21.52 1zrr s ALA 2 CO 0.00 -0.50 0.61 -1.17 0.00 0.00 0.00 175.76 174.70 1zrr s LEU 3 N -4.51 -1.15 -0.12 0.00 2.96 -0.97 -2.97 118.68 111.91 1zrr s LEU 3 Ca 0.57 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.75 1zrr s LEU 3 Cb -0.10 2.14 -0.03 0.00 0.50 0.00 0.00 46.19 48.71 1zrr s LEU 3 CO 0.35 -0.23 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.21 1zrr s THR 4 N 2.85 3.78 -0.04 3.68 2.01 0.11 -3.53 115.64 124.50 1zrr s THR 4 Ca 0.02 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1zrr s THR 4 Cb -0.13 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1zrr s THR 4 CO -0.19 0.53 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.50 1zrr s ILE 5 N -0.06 1.20 0.31 1.82 1.01 -1.09 -0.78 121.20 123.62 1zrr s ILE 5 Ca 0.01 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1zrr s ILE 5 Cb -0.13 -1.05 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 1zrr s ILE 5 CO 0.03 0.36 0.01 -0.36 0.00 0.00 0.00 174.94 174.98 1zrr s PHE 6 N 0.16 2.00 0.79 3.97 0.08 -1.23 -1.84 117.98 121.91 1zrr s PHE 6 Ca -0.05 -0.84 -0.08 0.00 0.12 0.00 0.00 56.93 56.08 1zrr s PHE 6 Cb -0.11 -1.26 0.12 0.00 -0.57 0.00 0.00 43.02 41.20 1zrr s PHE 6 CO 0.02 0.14 1.11 -1.12 -0.10 0.00 0.00 175.22 175.27 1zrr s SER 7 N -3.49 4.19 0.03 1.36 0.01 -1.20 -3.34 113.70 111.26 1zrr s SER 7 Ca 0.34 0.21 0.13 0.00 1.31 0.00 0.00 55.95 57.94 1zrr s SER 7 Cb 0.07 -0.61 -0.18 0.00 0.21 0.00 0.00 66.02 65.51 1zrr s SER 7 CO 0.14 -2.01 0.84 -0.37 0.41 0.00 0.00 173.24 172.25 1zrr h VAL 8 N -0.90 0.84 0.02 3.43 -1.51 -1.93 -3.35 116.25 112.84 1zrr h VAL 8 Ca -0.42 -2.52 -0.23 0.00 -1.23 0.00 0.00 66.70 62.30 1zrr h VAL 8 Cb 1.28 2.34 -0.00 0.00 -2.13 0.00 0.00 31.29 32.78 1zrr h VAL 8 CO 0.49 0.48 -0.97 0.11 -1.23 0.00 0.00 177.57 176.44 1zrr h LYS 9 N 0.00 0.32 -3.72 5.19 1.57 -1.98 -3.44 116.57 114.51 1zrr h LYS 9 Ca -0.19 -0.37 -0.40 0.00 -1.87 0.00 0.00 60.65 57.81 1zrr h LYS 9 Cb 1.80 0.11 -0.36 0.00 0.08 0.00 0.00 32.23 33.86 1zrr h LYS 9 CO 0.07 1.08 -0.76 0.16 -0.57 0.00 0.00 179.45 179.43 1zrr s ASP 10 N -7.04 1.14 0.04 0.86 -4.77 -1.26 -5.03 116.67 100.60 1zrr s ASP 10 Ca -0.05 -0.06 -0.08 0.00 -3.30 0.00 0.00 52.55 49.07 1zrr s ASP 10 Cb 0.09 -0.35 -0.30 0.00 -1.09 0.00 0.00 42.92 41.26 1zrr s ASP 10 CO 0.86 -0.15 0.99 1.55 0.70 0.00 0.00 175.17 179.12 1zrr h PRO 11 N 7.88 0.35 0.00 2.11 0.13 -1.86 -3.16 132.00 137.45 1zrr h PRO 11 Ca -0.28 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1zrr h PRO 11 Cb 1.13 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1zrr h PRO 11 CO 0.34 1.26 0.00 0.94 -0.23 0.00 0.00 178.00 180.31 1zrr n GLN 12 N -3.56 0.48 -3.90 0.86 0.00 -1.26 -4.53 117.38 105.47 1zrr n GLN 12 Ca -0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.51 1zrr n GLN 12 Cb 1.06 -1.30 -0.14 0.00 0.00 0.00 0.00 30.24 29.86 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1zrr s ASN 13 N -1.81 4.38 -0.27 1.69 0.01 -1.23 -5.08 114.94 112.62 1zrr s ASN 13 Ca 0.14 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.71 1zrr s ASN 13 Cb 0.06 -1.74 -0.05 0.00 0.41 0.00 0.00 41.25 39.93 1zrr s ASN 13 CO 0.11 -0.05 0.21 -0.94 -1.51 0.00 0.00 177.10 174.92 1zrr s SER 14 N 1.47 6.07 0.00 -1.22 1.04 -1.26 -3.28 113.70 116.51 1zrr s SER 14 Ca 0.05 0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.80 1zrr s SER 14 Cb -0.15 -2.13 0.72 0.00 0.10 0.00 0.00 66.02 64.57 1zrr s SER 14 CO -0.03 -0.05 1.55 0.18 0.98 0.00 0.00 173.24 175.87 1zrr n LEU 15 N 4.95 1.24 -3.22 2.42 4.32 -0.77 -4.73 117.00 121.22 1zrr n LEU 15 Ca -0.13 -0.37 -0.01 0.00 -0.02 0.00 0.00 56.01 55.48 1zrr n LEU 15 Cb 0.52 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 1zrr n LEU 15 CO 0.34 0.23 0.05 0.86 -1.22 0.00 0.00 177.39 177.65 1zrr s TRP 16 N -2.40 -1.43 -0.25 -1.77 -0.00 -1.22 -5.04 118.94 106.83 1zrr s TRP 16 Ca 0.26 1.05 0.02 0.00 -0.00 0.00 0.00 56.10 57.43 1zrr s TRP 16 Cb 0.19 0.23 0.05 0.00 -0.00 0.00 0.00 33.47 33.95 1zrr s TRP 16 CO 0.49 -0.95 -0.11 -1.58 -0.00 0.00 0.00 176.95 174.80 1zrr s HIS 17 N 2.73 3.17 0.17 5.86 5.65 -1.26 -2.68 115.29 128.92 1zrr s HIS 17 Ca 0.13 -2.10 -0.23 0.00 0.25 0.00 0.00 55.06 53.11 1zrr s HIS 17 Cb -0.13 -1.96 0.06 0.00 -1.18 0.00 0.00 32.58 29.37 1zrr s HIS 17 CO -0.24 -0.85 0.70 -1.12 -0.65 0.00 0.00 174.74 172.58 1zrr s SER 18 N 1.17 -0.42 -0.43 9.88 0.01 -1.23 -5.08 113.70 117.60 1zrr s SER 18 Ca -0.05 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1zrr s SER 18 Cb -0.18 0.60 0.14 0.00 0.21 0.00 0.00 66.02 66.78 1zrr s SER 18 CO -0.06 -1.03 0.24 -0.89 0.41 0.00 0.00 173.24 171.91 1zrr s THR 19 N -3.68 1.20 0.01 1.44 2.01 -1.26 -2.28 115.64 113.07 1zrr s THR 19 Ca 0.05 -2.45 0.05 0.00 0.31 0.00 0.00 61.69 59.66 1zrr s THR 19 Cb -0.02 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 1zrr s THR 19 CO -0.05 -0.92 -0.16 0.20 -0.69 0.00 0.00 174.62 172.99 1zrr s ASN 20 N 0.44 1.91 0.00 3.53 0.02 -1.19 -4.71 114.94 114.94 1zrr s ASN 20 Ca 0.18 -0.37 -0.08 0.00 -1.02 0.00 0.00 52.86 51.57 1zrr s ASN 20 Cb -0.23 -0.18 -0.31 0.00 0.02 0.00 0.00 41.25 40.55 1zrr s ASN 20 CO -0.00 0.15 0.87 0.00 0.02 0.00 0.00 177.10 178.13 1zrr h ALA 21 N 5.40 0.11 0.00 0.60 0.00 -1.99 -3.08 119.26 120.30 1zrr h ALA 21 Ca -0.37 -1.04 -0.08 0.00 0.00 0.00 0.00 54.91 53.42 1zrr h ALA 21 Cb 1.16 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1zrr h ALA 21 CO 0.47 0.98 -0.45 0.93 0.00 0.00 0.00 179.25 181.18 1zrr h GLU 22 N 0.10 0.00 -0.02 0.00 4.39 -1.99 -3.05 114.58 114.02 1zrr h GLU 22 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1zrr h GLU 22 Cb 2.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1zrr h GLU 22 CO 0.20 0.94 0.05 1.49 -1.16 0.00 0.00 179.01 180.52 1zrr h GLU 23 N -1.00 0.00 0.00 2.33 4.81 -1.98 -0.89 114.58 117.84 1zrr h GLU 23 Ca -0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1zrr h GLU 23 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1zrr h GLU 23 CO -0.07 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 179.02 1zrr h ILE 24 N 0.00 1.64 -0.53 2.32 2.04 -1.61 -0.13 117.51 121.23 1zrr h ILE 24 Ca 0.01 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 63.98 1zrr h ILE 24 Cb 0.10 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 1zrr h ILE 24 CO -0.00 0.49 0.35 -0.61 0.00 0.00 0.00 178.15 178.38 1zrr h GLN 25 N -0.79 0.68 -0.28 2.37 -0.00 -1.14 2.26 115.11 118.20 1zrr h GLN 25 Ca -0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.44 1zrr h GLN 25 Cb 0.81 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 28.14 1zrr h GLN 25 CO 0.00 0.45 -0.50 -0.56 0.00 0.00 0.00 178.83 178.22 1zrr h GLN 26 N 0.70 0.78 0.00 1.69 -0.00 -1.30 -0.43 115.11 116.55 1zrr h GLN 26 Ca 0.20 -0.47 -0.01 0.00 -0.00 0.00 0.00 58.65 58.38 1zrr h GLN 26 Cb -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.47 1zrr h GLN 26 CO -0.06 1.10 -0.02 0.37 -0.00 0.00 0.00 178.83 180.22 1zrr h GLN 27 N 0.61 0.01 0.41 0.06 4.15 -0.51 -2.00 115.11 117.84 1zrr h GLN 27 Ca 0.03 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1zrr h GLN 27 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1zrr h GLN 27 CO 0.11 0.86 -0.20 1.25 -1.93 0.00 0.00 178.83 178.92 1zrr h LEU 28 N -0.83 -0.47 -1.75 -2.39 5.85 0.37 -1.33 115.31 114.77 1zrr h LEU 28 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1zrr h LEU 28 Cb 0.87 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1zrr h LEU 28 CO 0.00 -0.26 0.00 0.78 -0.34 0.00 0.00 178.44 178.63 1zrr h ASN 29 N -0.66 0.00 0.13 1.25 4.21 -1.17 -1.13 115.58 118.22 1zrr h ASN 29 Ca -0.06 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 1zrr h ASN 29 Cb 0.48 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1zrr h ASN 29 CO 0.09 0.00 -0.13 0.00 -1.29 0.00 0.00 177.43 176.10 1zrr h ALA 30 N 2.03 1.77 -0.22 -0.83 0.00 -0.44 0.41 119.26 121.98 1zrr h ALA 30 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zrr h ALA 30 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zrr h ALA 30 CO 0.00 0.18 0.00 1.17 0.00 0.00 0.00 179.25 180.60 1zrr n LYS 31 N -4.37 1.59 -0.87 0.00 3.00 -0.43 -4.82 118.16 112.26 1zrr n LYS 31 Ca -0.03 -0.82 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1zrr n LYS 31 Cb 0.21 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zrr n GLY 32 N 0.78 0.85 3.88 3.14 0.00 0.13 -5.04 105.19 108.93 1zrr n GLY 32 Ca 0.08 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 5.17 0.48 1.61 1.01 -1.21 -4.78 120.40 120.68 1zrr s VAL 33 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1zrr s VAL 33 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1zrr s VAL 33 CO 0.00 0.26 0.86 -0.60 0.00 0.00 0.00 175.10 175.61 1zrr s ARG 34 N -2.02 3.72 -0.04 2.72 3.52 -1.21 -4.01 118.95 121.63 1zrr s ARG 34 Ca 0.33 0.54 -0.22 0.00 -0.13 0.00 0.00 55.73 56.25 1zrr s ARG 34 Cb -0.13 -2.29 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1zrr s ARG 34 CO 0.19 -0.21 0.47 0.12 -0.81 0.00 0.00 175.30 175.06 1zrr s PHE 35 N -2.64 -0.40 0.06 5.12 5.99 -1.26 -4.18 117.98 120.67 1zrr s PHE 35 Ca 0.52 0.67 -0.28 0.00 0.00 0.00 0.00 56.93 57.84 1zrr s PHE 35 Cb -0.10 0.23 0.09 0.00 0.00 0.00 0.00 43.02 43.24 1zrr s PHE 35 CO 0.38 -0.48 1.06 -1.21 -0.00 0.00 0.00 175.22 174.97 1zrr s GLU 36 N -1.21 0.86 -0.22 10.12 0.41 -1.25 -4.98 118.70 122.42 1zrr s GLU 36 Ca -0.12 -0.45 -0.05 0.00 -0.41 0.00 0.00 54.97 53.94 1zrr s GLU 36 Cb -0.03 0.31 0.11 0.00 -1.78 0.00 0.00 34.13 32.74 1zrr s GLU 36 CO 0.07 -0.39 0.40 -0.98 -0.49 0.00 0.00 175.26 173.87 1zrr s ARG 37 N -2.96 0.33 0.22 1.61 1.70 -1.26 -3.25 118.95 115.34 1zrr s ARG 37 Ca 0.12 0.83 0.09 0.00 -0.47 0.00 0.00 55.73 56.30 1zrr s ARG 37 Cb 0.00 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1zrr s ARG 37 CO -0.02 -0.41 -0.04 -1.58 -1.08 0.00 0.00 175.30 172.18 1zrr s TRP 38 N 2.59 2.69 0.16 5.89 0.51 -1.26 -4.97 118.94 124.56 1zrr s TRP 38 Ca 0.05 -0.21 -0.05 0.00 -2.12 0.00 0.00 56.10 53.76 1zrr s TRP 38 Cb -0.13 -1.25 -0.02 0.00 -0.81 0.00 0.00 33.47 31.25 1zrr s TRP 38 CO -0.14 0.57 0.20 1.14 -0.51 0.00 0.00 176.95 178.21 1zrr s GLN 39 N -3.28 1.12 0.34 4.98 -2.07 -1.26 -4.67 119.66 114.82 1zrr s GLN 39 Ca 0.29 -1.34 0.03 0.00 -1.82 0.00 0.00 55.36 52.52 1zrr s GLN 39 Cb -0.08 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1zrr s GLN 39 CO 0.18 -0.38 0.51 0.00 -1.32 0.00 0.00 175.29 174.28 1zrr s ALA 40 N -4.03 3.90 -0.12 2.60 0.00 -1.26 -5.01 121.76 117.83 1zrr s ALA 40 Ca 0.23 -1.16 0.18 0.00 0.00 0.00 0.00 51.96 51.22 1zrr s ALA 40 Cb 0.05 -1.91 -0.20 0.00 0.00 0.00 0.00 23.12 21.05 1zrr s ALA 40 CO 0.03 -0.03 0.56 -0.25 0.00 0.00 0.00 175.76 176.07 1zrr n ASP 41 N -1.72 0.48 -4.91 0.00 8.00 -1.26 -4.92 116.55 112.22 1zrr n ASP 41 Ca -0.03 0.21 -0.21 0.00 0.71 0.00 0.00 54.79 55.47 1zrr n ASP 41 Cb 0.57 0.70 0.05 0.00 -0.02 0.00 0.00 41.12 42.42 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 -2.90 2.34 -0.07 -1.24 0.52 -1.26 -5.07 118.95 111.27 1zrr s ARG 42 Ca -0.06 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 53.91 1zrr s ARG 42 Cb 0.09 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1zrr s ARG 42 CO 0.83 -0.84 0.56 -0.51 0.02 0.00 0.00 175.30 175.36 1zrr s ASP 43 N -4.52 6.83 0.52 0.23 -0.00 -1.26 -5.07 116.67 113.41 1zrr s ASP 43 Ca 0.60 1.00 0.01 0.00 -0.00 0.00 0.00 52.55 54.15 1zrr s ASP 43 Cb -0.08 -2.33 0.02 0.00 -0.00 0.00 0.00 42.92 40.52 1zrr s ASP 43 CO 0.39 0.01 0.75 -0.76 -0.00 0.00 0.00 175.17 175.56 1zrr s LEU 44 N 0.40 3.39 0.00 1.23 1.43 -1.26 -4.95 118.68 118.93 1zrr s LEU 44 Ca 0.30 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1zrr s LEU 44 Cb -0.17 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1zrr s LEU 44 CO 0.14 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1zrr n GLY 45 N -2.27 -1.44 3.59 -3.19 0.00 -1.26 -5.07 105.19 95.55 1zrr n GLY 45 Ca 0.06 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.00 2.91 -0.51 4.61 0.00 -1.26 -4.93 121.76 121.58 1zrr s ALA 46 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.59 1zrr s ALA 46 Cb 0.00 -4.03 0.13 0.00 0.00 0.00 0.00 23.12 19.22 1zrr s ALA 46 CO 0.00 -2.69 0.25 0.00 0.00 0.00 0.00 175.76 173.32 1zrr s ALA 47 N 5.83 3.24 -0.13 0.00 0.00 -1.26 -4.95 121.76 124.50 1zrr s ALA 47 Ca 0.57 -3.22 -0.01 0.00 0.00 0.00 0.00 51.96 49.31 1zrr s ALA 47 Cb -0.12 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.92 1zrr s ALA 47 CO 0.29 -2.01 2.13 -0.35 0.00 0.00 0.00 175.76 175.82 1zrr n PRO 48 N 3.17 1.39 -3.64 0.00 -0.04 -1.26 -4.79 135.00 129.83 1zrr n PRO 48 Ca 0.05 -0.69 -0.09 0.00 -0.04 0.00 0.00 63.50 62.73 1zrr n PRO 48 Cb 0.33 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 1zrr n PRO 48 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1zrr s THR 49 N -0.83 0.00 -0.15 0.52 2.01 -1.26 -5.06 115.64 110.87 1zrr s THR 49 Ca 0.17 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 1zrr s THR 49 Cb 0.12 -1.00 -0.20 0.00 0.01 0.00 0.00 72.50 71.43 1zrr s THR 49 CO -0.01 0.00 0.50 0.00 -0.69 0.00 0.00 174.62 174.42 1zrr h ALA 50 N 4.75 0.06 0.00 7.40 0.00 -2.03 -3.27 119.26 126.17 1zrr h ALA 50 Ca -0.28 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1zrr h ALA 50 Cb 1.18 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1zrr h ALA 50 CO 0.11 0.18 0.00 -0.85 0.00 0.00 0.00 179.25 178.69 1zrr n GLU 51 N -4.59 0.19 0.01 0.00 0.28 -1.26 -2.87 120.64 112.40 1zrr n GLU 51 Ca -0.13 0.03 -0.06 0.00 -0.16 0.00 0.00 57.16 56.83 1zrr n GLU 51 Cb 0.45 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 1zrr n GLU 51 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1zrr h THR 52 N 0.00 0.53 -0.33 3.84 2.02 -1.97 -1.85 112.91 115.15 1zrr h THR 52 Ca 0.00 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1zrr h THR 52 Cb 0.01 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1zrr h THR 52 CO 0.00 0.17 0.10 0.58 0.37 0.00 0.00 175.52 176.73 1zrr h VAL 53 N -0.99 1.21 -0.90 3.16 2.07 -1.69 -1.55 116.25 117.56 1zrr h VAL 53 Ca -0.01 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1zrr h VAL 53 Cb 0.38 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1zrr h VAL 53 CO 0.02 0.24 0.60 0.40 0.02 0.00 0.00 177.57 178.85 1zrr h ILE 54 N 0.38 1.22 0.00 4.57 2.04 -1.69 0.22 117.51 124.25 1zrr h ILE 54 Ca 0.11 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1zrr h ILE 54 Cb 0.26 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1zrr h ILE 54 CO -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 178.15 178.27 1zrr h ALA 55 N 1.34 1.25 0.00 1.87 0.00 -0.96 0.42 119.26 123.18 1zrr h ALA 55 Ca 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1zrr h ALA 55 Cb -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zrr h ALA 55 CO -0.08 0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 1zrr h ALA 56 N 1.90 0.95 -0.00 0.00 0.00 0.06 -3.20 119.26 118.98 1zrr h ALA 56 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1zrr h ALA 56 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1zrr h ALA 56 CO 0.01 0.15 -0.25 0.66 0.00 0.00 0.00 179.25 179.82 1zrr n TYR 57 N -3.17 0.00 -0.35 0.00 4.02 -0.55 -4.58 117.16 112.53 1zrr n TYR 57 Ca 0.02 0.00 0.24 0.00 -0.01 0.00 0.00 57.90 58.15 1zrr n TYR 57 Cb 0.49 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.29 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1zrr h GLN 58 N 0.63 0.35 -0.57 -0.72 1.08 -0.20 0.39 115.11 116.08 1zrr h GLN 58 Ca 0.00 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1zrr h GLN 58 Cb 0.26 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.52 1zrr h GLN 58 CO 0.00 0.23 0.03 1.12 -0.95 0.00 0.00 178.83 179.26 1zrr h HIS 59 N 0.36 0.01 0.88 2.96 2.07 -1.81 2.21 115.15 121.83 1zrr h HIS 59 Ca 0.71 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 58.22 1zrr h HIS 59 Cb 1.65 0.08 0.01 0.00 2.57 0.00 0.00 27.41 31.72 1zrr h HIS 59 CO -0.01 -0.12 -0.42 0.00 -3.07 0.00 0.00 177.93 174.31 1zrr h ALA 60 N 1.50 -1.25 0.00 6.11 0.00 -0.55 -2.75 119.26 122.32 1zrr h ALA 60 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 60 Cb 0.46 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1zrr h ALA 60 CO -0.46 -1.16 -0.13 -0.84 0.00 0.00 0.00 179.25 176.66 1zrr h ILE 61 N -1.24 1.06 -0.39 0.00 -0.00 -1.26 -1.33 117.51 114.34 1zrr h ILE 61 Ca -0.12 -0.44 0.11 0.00 -0.00 0.00 0.00 64.86 64.42 1zrr h ILE 61 Cb 0.90 1.24 -0.02 0.00 -0.00 0.00 0.00 36.82 38.94 1zrr h ILE 61 CO 0.20 0.12 0.34 -0.78 -0.00 0.00 0.00 178.15 178.04 1zrr h ASP 62 N 0.00 0.00 0.32 2.16 3.58 0.40 0.72 116.42 123.59 1zrr h ASP 62 Ca -0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 1zrr h ASP 62 Cb 0.23 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.29 1zrr h ASP 62 CO 0.02 0.00 -1.16 0.11 -2.88 0.00 0.00 179.24 175.33 1zrr h LYS 63 N 0.00 0.47 -0.70 0.28 1.79 -1.08 -2.93 116.57 114.40 1zrr h LYS 63 Ca 0.19 -0.63 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 1zrr h LYS 63 Cb 0.87 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 1zrr h LYS 63 CO -0.00 1.26 0.21 -0.07 -1.08 0.00 0.00 179.45 179.76 1zrr h LEU 64 N 0.21 1.01 -1.13 2.94 4.07 -0.91 -2.07 115.31 119.44 1zrr h LEU 64 Ca -0.14 -0.19 -0.09 0.00 0.08 0.00 0.00 57.88 57.54 1zrr h LEU 64 Cb 1.83 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 1zrr h LEU 64 CO 0.21 0.95 -0.42 0.58 -1.08 0.00 0.00 178.44 178.68 1zrr h VAL 65 N 1.04 1.21 0.07 1.22 2.07 -1.45 0.94 116.25 121.35 1zrr h VAL 65 Ca 0.23 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1zrr h VAL 65 Cb 0.31 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1zrr h VAL 65 CO -0.01 0.41 -0.25 0.00 0.02 0.00 0.00 177.57 177.75 1zrr h ALA 66 N 1.58 -0.38 0.00 1.67 0.00 -1.18 1.19 119.26 122.14 1zrr h ALA 66 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1zrr h ALA 66 Cb 0.78 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1zrr h ALA 66 CO 0.05 -0.77 -0.59 1.49 0.00 0.00 0.00 179.25 179.44 1zrr h GLU 67 N -0.42 0.00 -0.53 0.00 4.22 -1.53 -3.35 114.58 112.96 1zrr h GLU 67 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1zrr h GLU 67 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1zrr h GLU 67 CO -0.18 0.75 0.00 1.63 -2.18 0.00 0.00 179.01 179.04 1zrr n LYS 68 N -4.56 1.94 0.00 1.92 4.01 0.32 -4.93 118.16 116.86 1zrr n LYS 68 Ca -0.18 -1.00 0.00 0.00 -0.51 0.00 0.00 58.31 56.63 1zrr n LYS 68 Cb 0.48 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 69 N 0.59 0.00 3.85 0.72 0.00 0.41 -4.79 105.19 105.97 1zrr n GLY 69 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 3.08 0.00 1.61 1.51 -1.26 -5.02 117.35 117.26 1zrr s TYR 70 Ca 0.00 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.15 1zrr s TYR 70 Cb 0.00 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.74 1zrr s TYR 70 CO 0.00 -1.48 0.10 1.04 -1.11 0.00 0.00 175.55 174.10 1zrr n GLN 71 N -3.22 0.00 -4.00 -0.62 1.13 -1.26 -4.84 117.38 104.57 1zrr n GLN 71 Ca 0.07 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.92 1zrr n GLN 71 Cb 0.57 -0.60 -0.03 0.00 0.11 0.00 0.00 30.24 30.29 1zrr n GLN 71 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1zrr s SER 72 N -2.07 6.15 -0.00 1.08 0.15 -1.24 -4.97 113.70 112.79 1zrr s SER 72 Ca 0.00 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1zrr s SER 72 Cb 0.00 -1.76 -0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1zrr s SER 72 CO 0.00 -0.06 -0.05 0.86 1.20 0.00 0.00 173.24 175.20 1zrr s TRP 73 N -2.00 0.43 0.07 3.44 -0.11 -1.26 -0.99 118.94 118.53 1zrr s TRP 73 Ca 0.34 -0.08 -0.07 0.00 1.22 0.00 0.00 56.10 57.50 1zrr s TRP 73 Cb -0.09 -0.28 0.03 0.00 -1.50 0.00 0.00 33.47 31.63 1zrr s TRP 73 CO 0.28 -0.01 0.36 -3.47 -4.62 0.00 0.00 176.95 169.49 1zrr n ASP 74 N 2.96 -0.62 -4.32 5.86 4.64 -1.03 -4.96 116.55 119.07 1zrr n ASP 74 Ca -0.13 -1.33 -0.26 0.00 -1.38 0.00 0.00 54.79 51.69 1zrr n ASP 74 Cb 0.58 1.01 -0.13 0.00 -1.04 0.00 0.00 41.12 41.54 1zrr n ASP 74 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1zrr s VAL 75 N -2.41 1.91 -0.30 5.18 -7.23 -1.26 -1.33 120.40 114.96 1zrr s VAL 75 Ca 0.08 -1.53 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 1zrr s VAL 75 Cb -0.01 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1zrr s VAL 75 CO 0.02 0.08 0.19 -0.51 -0.31 0.00 0.00 175.10 174.57 1zrr s ILE 76 N -1.03 5.16 -0.30 -0.62 2.07 -0.45 -4.87 121.20 121.17 1zrr s ILE 76 Ca 0.09 -0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.21 1zrr s ILE 76 Cb -0.10 -3.53 0.18 0.00 0.13 0.00 0.00 42.46 39.14 1zrr s ILE 76 CO 0.04 0.16 0.97 -0.94 -1.91 0.00 0.00 174.94 173.25 1zrr s SER 77 N 1.72 -0.63 0.49 4.50 1.04 -1.26 -2.79 113.70 116.77 1zrr s SER 77 Ca 0.06 0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.74 1zrr s SER 77 Cb -0.16 1.45 0.06 0.00 0.10 0.00 0.00 66.02 67.46 1zrr s SER 77 CO 0.10 -0.12 0.51 -0.11 0.98 0.00 0.00 173.24 174.60 1zrr n LEU 78 N 5.29 0.00 -4.86 2.42 -0.00 -1.26 -4.92 117.00 113.66 1zrr n LEU 78 Ca 0.03 -2.34 -0.33 0.00 -0.00 0.00 0.00 56.01 53.37 1zrr n LEU 78 Cb 0.56 -0.19 -0.06 0.00 -0.00 0.00 0.00 43.42 43.73 1zrr n LEU 78 CO -0.12 -0.61 0.27 -0.60 -0.00 0.00 0.00 177.39 176.33 1zrr s ARG 79 N -4.10 3.90 0.00 1.96 6.06 -1.26 -4.03 118.95 121.48 1zrr s ARG 79 Ca 0.39 0.42 0.00 0.00 -2.50 0.00 0.00 55.73 54.04 1zrr s ARG 79 Cb -0.03 -2.67 0.02 0.00 0.06 0.00 0.00 34.95 32.34 1zrr s ARG 79 CO 0.24 0.32 0.33 0.00 -2.50 0.00 0.00 175.30 173.70 1zrr n ALA 80 N 0.04 1.52 0.03 6.12 0.00 -1.26 -0.90 120.51 126.06 1zrr n ALA 80 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1zrr n ALA 80 Cb 0.52 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1zrr n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1zrr n ASP 81 N -0.80 0.68 -4.65 0.00 10.43 -1.26 -4.86 116.55 116.09 1zrr n ASP 81 Ca 0.00 0.29 -0.42 0.00 2.57 0.00 0.00 54.79 57.23 1zrr n ASP 81 Cb 0.00 0.52 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 1zrr n ASP 81 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1zrr s ASN 82 N -5.51 6.27 0.14 -2.24 4.22 -0.07 -4.84 114.94 112.91 1zrr s ASN 82 Ca -0.04 2.49 0.18 0.00 -2.14 0.00 0.00 52.86 53.36 1zrr s ASN 82 Cb 0.09 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 40.04 1zrr s ASN 82 CO 0.82 -1.22 0.99 1.55 -2.04 0.00 0.00 177.10 177.20 1zrr h PRO 83 N 11.40 0.00 0.00 3.55 0.13 -1.90 -3.35 132.00 141.83 1zrr h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 83 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1zrr h PRO 83 CO 0.95 0.22 -0.88 0.00 -0.23 0.00 0.00 178.00 178.05 1zrr n GLN 84 N -2.87 0.30 -0.10 0.86 10.64 -1.26 -3.88 117.38 121.07 1zrr n GLN 84 Ca -0.05 0.03 0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1zrr n GLN 84 Cb 0.73 -1.63 0.31 0.00 -0.86 0.00 0.00 30.24 28.80 1zrr n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1zrr h LYS 85 N 0.00 0.74 -0.96 2.61 3.11 -1.97 -1.30 116.57 118.81 1zrr h LYS 85 Ca 0.00 -0.07 0.07 0.00 -2.81 0.00 0.00 60.65 57.84 1zrr h LYS 85 Cb 0.74 -0.16 -0.07 0.00 -1.00 0.00 0.00 32.23 31.75 1zrr h LYS 85 CO 0.00 0.54 0.61 0.93 -2.81 0.00 0.00 179.45 178.72 1zrr h GLU 86 N 0.76 1.08 0.00 1.90 5.08 -1.78 0.28 114.58 121.89 1zrr h GLU 86 Ca 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1zrr h GLU 86 Cb 0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1zrr h GLU 86 CO -0.03 0.71 -0.20 0.00 -1.00 0.00 0.00 179.01 178.49 1zrr h ALA 87 N 1.44 1.40 -0.23 3.43 0.00 -1.46 -2.84 119.26 121.01 1zrr h ALA 87 Ca 0.42 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1zrr h ALA 87 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1zrr h ALA 87 CO -0.18 0.25 0.14 1.25 0.00 0.00 0.00 179.25 180.71 1zrr h LEU 88 N 0.00 0.27 -1.72 0.00 5.85 -0.15 -1.56 115.31 118.00 1zrr h LEU 88 Ca -0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1zrr h LEU 88 Cb 0.42 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1zrr h LEU 88 CO 0.03 0.23 -0.18 0.08 -0.34 0.00 0.00 178.44 178.26 1zrr h ARG 89 N 0.29 0.00 0.66 1.25 0.11 -1.34 -1.26 114.38 114.09 1zrr h ARG 89 Ca 0.08 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.13 1zrr h ARG 89 Cb 0.01 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1zrr h ARG 89 CO -0.02 0.18 -0.32 0.93 0.10 0.00 0.00 179.97 180.84 1zrr h GLU 90 N 0.00 -0.85 -0.59 0.08 5.08 -1.19 0.98 114.58 118.08 1zrr h GLU 90 Ca -0.00 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1zrr h GLU 90 Cb 0.36 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1zrr h GLU 90 CO 0.02 -0.57 0.39 0.87 -1.00 0.00 0.00 179.01 178.73 1zrr h LYS 91 N -1.16 0.62 0.00 2.33 1.57 -1.30 0.53 116.57 119.16 1zrr h LYS 91 Ca -0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1zrr h LYS 91 Cb 0.68 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1zrr h LYS 91 CO 0.15 0.41 0.00 0.74 -0.57 0.00 0.00 179.45 180.18 1zrr h PHE 92 N 0.64 0.00 0.00 -1.35 -1.00 -1.13 -3.19 116.94 110.90 1zrr h PHE 92 Ca 0.25 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1zrr h PHE 92 Cb 0.18 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 1zrr h PHE 92 CO -0.00 0.00 -0.02 1.25 -1.61 0.00 0.00 178.31 177.93 1zrr h LEU 93 N 0.00 0.00 -9.25 1.54 6.46 0.34 -3.41 115.31 110.98 1zrr h LEU 93 Ca 0.00 0.00 -0.67 0.00 -0.12 0.00 0.00 57.88 57.09 1zrr h LEU 93 Cb 0.91 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 40.92 1zrr h LEU 93 CO 0.00 0.02 0.11 -0.46 -0.62 0.00 0.00 178.44 177.50 1zrr n ASN 94 N -4.00 0.78 -4.69 1.25 6.94 -1.21 -4.53 115.26 109.81 1zrr n ASN 94 Ca -0.03 1.15 -0.31 0.00 -0.02 0.00 0.00 54.58 55.36 1zrr n ASN 94 Cb 0.11 -1.15 0.15 0.00 -2.36 0.00 0.00 39.78 36.53 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1zrr s GLU 95 N -0.53 1.28 0.00 -3.83 -1.05 -1.26 -4.81 118.70 108.50 1zrr s GLU 95 Ca 0.73 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 57.08 1zrr s GLU 95 Cb -0.90 -1.76 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1zrr s GLU 95 CO 0.54 -2.43 0.00 -2.39 0.95 0.00 0.00 175.26 171.93 1zrr n HIS 96 N -3.99 -0.39 -3.64 4.83 1.44 -1.06 -4.63 115.22 107.78 1zrr n HIS 96 Ca 0.12 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.76 1zrr n HIS 96 Cb 0.52 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.56 1zrr n HIS 96 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1zrr s THR 97 N -2.40 0.00 0.14 0.61 2.01 -1.24 -2.66 115.64 112.09 1zrr s THR 97 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1zrr s THR 97 CO 0.00 0.00 0.26 -1.00 -0.69 0.00 0.00 174.62 173.19 1zrr s HIS 98 N 1.46 3.45 -1.20 4.92 0.09 -1.26 -3.66 115.29 119.09 1zrr s HIS 98 Ca -0.09 0.12 0.27 0.00 -0.00 0.00 0.00 55.06 55.36 1zrr s HIS 98 Cb -0.05 -1.66 1.25 0.00 -0.00 0.00 0.00 32.58 32.12 1zrr s HIS 98 CO -0.17 0.52 1.89 0.41 -0.00 0.00 0.00 174.74 177.39 1zrr n GLY 99 N -0.43 -1.30 3.56 -2.22 0.00 -1.26 -1.78 105.19 101.75 1zrr n GLY 99 Ca -0.07 -0.11 -0.26 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 -2.80 1.86 0.35 1.61 2.02 -1.26 -4.77 118.70 115.71 1zrr s GLU 100 Ca 0.19 -2.06 -0.27 0.00 0.02 0.00 0.00 54.97 52.85 1zrr s GLU 100 Cb 0.18 -1.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.01 1zrr s GLU 100 CO 0.45 -0.14 1.09 -0.51 0.02 0.00 0.00 175.26 176.17 1zrr s ASP 101 N -3.64 6.94 -0.78 -0.19 -0.00 -1.26 -3.95 116.67 113.80 1zrr s ASP 101 Ca 0.33 2.19 -0.11 0.00 -0.00 0.00 0.00 52.55 54.96 1zrr s ASP 101 Cb 0.09 -2.61 0.20 0.00 -0.00 0.00 0.00 42.92 40.60 1zrr s ASP 101 CO 0.16 -0.37 0.68 -0.70 -0.00 0.00 0.00 175.17 174.94 1zrr s GLU 102 N -2.00 3.32 -0.11 8.23 2.12 -0.84 -4.94 118.70 124.48 1zrr s GLU 102 Ca 0.52 -2.50 -0.24 0.00 0.36 0.00 0.00 54.97 53.11 1zrr s GLU 102 Cb -0.28 -4.24 -0.03 0.00 0.26 0.00 0.00 34.13 29.85 1zrr s GLU 102 CO 0.35 -1.26 0.76 0.08 -0.54 0.00 0.00 175.26 174.65 1zrr s VAL 103 N 0.07 4.98 -0.16 3.70 1.01 -1.26 -2.94 120.40 125.80 1zrr s VAL 103 Ca 0.18 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1zrr s VAL 103 Cb -0.13 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1zrr s VAL 103 CO -0.07 0.15 -0.04 -0.13 0.00 0.00 0.00 175.10 175.00 1zrr s ARG 104 N 1.40 1.33 -0.18 2.72 3.00 -1.13 -4.51 118.95 121.59 1zrr s ARG 104 Ca 0.38 -0.45 -0.09 0.00 0.00 0.00 0.00 55.73 55.56 1zrr s ARG 104 Cb -0.17 -1.92 -0.05 0.00 0.00 0.00 0.00 34.95 32.81 1zrr s ARG 104 CO 0.16 -0.43 0.13 0.12 0.00 0.00 0.00 175.30 175.29 1zrr s PHE 105 N 1.67 3.45 -0.03 -0.53 5.36 -1.11 -2.57 117.98 124.23 1zrr s PHE 105 Ca 0.01 0.38 -0.18 0.00 -0.96 0.00 0.00 56.93 56.18 1zrr s PHE 105 Cb -0.15 -2.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.36 1zrr s PHE 105 CO -0.08 0.39 0.50 -0.06 -1.46 0.00 0.00 175.22 174.51 1zrr s PHE 106 N 0.06 3.66 -0.02 10.12 0.40 -1.26 0.17 117.98 131.11 1zrr s PHE 106 Ca 0.10 1.06 0.03 0.00 -0.60 0.00 0.00 56.93 57.51 1zrr s PHE 106 Cb -0.11 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1zrr s PHE 106 CO -0.01 0.41 0.03 0.28 0.70 0.00 0.00 175.22 176.63 1zrr n VAL 107 N 2.63 0.15 -3.54 -0.44 0.31 -0.00 -4.46 118.33 112.99 1zrr n VAL 107 Ca -0.09 -0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1zrr n VAL 107 Cb 0.51 -0.51 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.13 0.67 -0.02 5.55 2.12 -0.26 -4.89 118.70 119.75 1zrr s GLU 108 Ca -0.01 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 1zrr s GLU 108 Cb 0.01 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.72 1zrr s GLU 108 CO 0.13 -0.28 0.03 0.41 -0.54 0.00 0.00 175.26 175.02 1zrr n GLY 109 N -0.02 -2.41 3.00 -1.50 0.00 -1.26 -1.29 105.19 101.71 1zrr n GLY 109 Ca -0.07 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.26 -1.15 0.17 4.61 0.00 -1.26 -4.28 121.76 119.59 1zrr s ALA 110 Ca -0.04 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1zrr s ALA 110 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1zrr s ALA 110 CO 0.10 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1zrr n GLY 111 N 5.37 1.04 3.19 0.00 0.00 -1.26 -4.34 105.19 109.18 1zrr n GLY 111 Ca -0.05 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1zrr n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1zrr s LEU 112 N 0.00 5.51 0.06 0.99 2.34 -1.26 -4.15 118.68 122.17 1zrr s LEU 112 Ca 0.00 -1.92 -0.30 0.00 0.06 0.00 0.00 54.13 51.97 1zrr s LEU 112 Cb 0.00 -1.95 -0.04 0.00 -0.56 0.00 0.00 46.19 43.64 1zrr s LEU 112 CO 0.00 -0.63 0.99 0.72 -1.06 0.00 0.00 176.35 176.37 1zrr s PHE 113 N 1.29 3.71 0.54 3.48 -0.12 -1.12 -4.80 117.98 120.96 1zrr s PHE 113 Ca 0.06 1.71 -0.16 0.00 -0.05 0.00 0.00 56.93 58.49 1zrr s PHE 113 Cb -0.25 -3.12 -0.07 0.00 -0.63 0.00 0.00 43.02 38.96 1zrr s PHE 113 CO -0.02 -0.02 1.01 0.00 -0.05 0.00 0.00 175.22 176.14 1zrr s LEU 115 N -4.22 -0.13 -0.31 0.00 2.96 0.93 -4.61 118.68 113.30 1zrr s LEU 115 Ca 0.60 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.94 1zrr s LEU 115 Cb -0.12 0.51 0.04 0.00 0.50 0.00 0.00 46.19 47.13 1zrr s LEU 115 CO 0.34 -0.23 0.05 -2.28 -1.32 0.00 0.00 176.35 172.90 1zrr s HIS 116 N 2.25 3.22 -0.21 5.38 2.46 -1.22 0.24 115.29 127.41 1zrr s HIS 116 Ca 0.01 -1.51 0.01 0.00 0.47 0.00 0.00 55.06 54.04 1zrr s HIS 116 Cb -0.12 -2.20 0.05 0.00 -0.13 0.00 0.00 32.58 30.18 1zrr s HIS 116 CO -0.07 -0.73 -0.11 0.42 -2.47 0.00 0.00 174.74 171.78 1zrr s ILE 117 N 1.36 1.74 0.00 0.89 1.09 -1.20 -3.81 121.20 121.28 1zrr s ILE 117 Ca -0.02 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.41 1zrr s ILE 117 Cb -0.19 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.39 1zrr s ILE 117 CO 0.01 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.60 1zrr n GLY 118 N 4.64 0.61 3.25 6.18 0.00 -1.26 -3.82 105.19 114.79 1zrr n GLY 118 Ca -0.15 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1zrr n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zrr n ASP 119 N 1.32 5.65 -3.76 1.61 8.00 -1.26 -4.93 116.55 123.17 1zrr n ASP 119 Ca 0.00 -3.13 -0.03 0.00 0.71 0.00 0.00 54.79 52.34 1zrr n ASP 119 Cb 0.00 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 39.75 1zrr n ASP 119 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zrr s GLU 120 N -1.65 1.20 -0.01 -1.24 2.02 -1.25 -4.81 118.70 112.96 1zrr s GLU 120 Ca 0.31 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.69 1zrr s GLU 120 Cb -0.06 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.56 1zrr s GLU 120 CO -0.04 -0.55 -0.18 0.08 0.02 0.00 0.00 175.26 174.59 1zrr s VAL 121 N -3.29 1.38 -0.07 2.63 1.01 -1.21 -3.24 120.40 117.62 1zrr s VAL 121 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1zrr s VAL 121 Cb -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1zrr s VAL 121 CO 0.02 0.37 -0.15 -0.36 0.00 0.00 0.00 175.10 174.99 1zrr s PHE 122 N -0.44 1.67 -0.21 5.22 0.40 0.68 -3.47 117.98 121.83 1zrr s PHE 122 Ca 0.07 -0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1zrr s PHE 122 Cb -0.07 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.34 1zrr s PHE 122 CO -0.01 -0.29 0.00 -0.65 0.70 0.00 0.00 175.22 174.98 1zrr s GLN 123 N 0.53 1.02 -0.11 0.44 -0.21 0.04 0.31 119.66 121.68 1zrr s GLN 123 Ca -0.14 -0.63 -0.09 0.00 0.02 0.00 0.00 55.36 54.52 1zrr s GLN 123 Cb -0.16 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 1zrr s GLN 123 CO 0.04 -0.62 0.20 0.14 -2.12 0.00 0.00 175.29 172.93 1zrr s VAL 124 N 1.69 5.40 -0.47 1.09 -7.23 -1.18 0.06 120.40 119.76 1zrr s VAL 124 Ca -0.03 0.35 0.03 0.00 -1.81 0.00 0.00 61.98 60.51 1zrr s VAL 124 Cb -0.18 -3.48 0.14 0.00 0.56 0.00 0.00 36.38 33.42 1zrr s VAL 124 CO -0.07 0.58 0.27 -0.76 -0.31 0.00 0.00 175.10 174.81 1zrr s LEU 125 N -0.78 2.93 -0.28 1.32 1.02 -1.16 -2.80 118.68 118.92 1zrr s LEU 125 Ca 0.16 -2.81 -0.22 0.00 0.02 0.00 0.00 54.13 51.28 1zrr s LEU 125 Cb -0.13 -1.09 0.13 0.00 0.02 0.00 0.00 46.19 45.12 1zrr s LEU 125 CO 0.05 -0.24 0.99 0.00 0.02 0.00 0.00 176.35 177.17 1zrr s GLU 127 N 0.68 2.85 0.23 0.00 8.01 -1.26 -4.95 118.70 124.26 1zrr s GLU 127 Ca -0.02 -1.99 0.10 0.00 0.01 0.00 0.00 54.97 53.08 1zrr s GLU 127 Cb -0.05 -4.10 -0.05 0.00 -4.31 0.00 0.00 34.13 25.63 1zrr s GLU 127 CO -0.10 -1.25 -0.13 0.15 0.01 0.00 0.00 175.26 173.95 1zrr s LYS 128 N 1.00 1.91 0.00 1.61 -0.14 -1.26 -4.96 119.74 117.90 1zrr s LYS 128 Ca 0.09 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.19 1zrr s LYS 128 Cb -0.23 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1zrr s LYS 128 CO -0.02 0.38 0.57 0.09 -0.76 0.00 0.00 175.35 175.61 1zrr n ASN 129 N -0.36 0.00 -4.77 2.83 3.02 -1.26 -4.60 115.26 110.12 1zrr n ASN 129 Ca -0.08 0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.20 1zrr n ASN 129 Cb 0.58 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 1zrr n ASN 129 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1zrr s ASP 130 N -2.13 6.13 0.18 6.41 -0.00 -1.26 -4.09 116.67 121.91 1zrr s ASP 130 Ca 0.00 2.24 0.07 0.00 -0.00 0.00 0.00 52.55 54.86 1zrr s ASP 130 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 1zrr s ASP 130 CO 0.00 -0.94 -0.01 -1.48 -0.00 0.00 0.00 175.17 172.74 1zrr s LEU 131 N -3.18 3.27 -0.21 1.23 0.05 -1.20 -4.01 118.68 114.63 1zrr s LEU 131 Ca 0.65 -0.42 -0.01 0.00 0.05 0.00 0.00 54.13 54.40 1zrr s LEU 131 Cb -0.26 -1.92 0.01 0.00 -2.05 0.00 0.00 46.19 41.97 1zrr s LEU 131 CO 0.32 0.09 -0.12 -0.63 -0.55 0.00 0.00 176.35 175.45 1zrr s ILE 132 N -1.73 2.62 -0.15 1.48 -1.09 -1.06 -3.95 121.20 117.31 1zrr s ILE 132 Ca 0.27 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1zrr s ILE 132 Cb -0.09 -2.19 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 1zrr s ILE 132 CO 0.18 0.42 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.69 1zrr s SER 133 N 1.35 4.49 -0.07 3.58 0.15 -1.26 -2.82 113.70 119.12 1zrr s SER 133 Ca 0.04 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 1zrr s SER 133 Cb -0.14 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1zrr s SER 133 CO -0.08 0.17 0.06 -0.69 1.20 0.00 0.00 173.24 173.89 1zrr s VAL 134 N 0.37 4.73 0.64 4.45 1.01 -1.15 -3.36 120.40 127.08 1zrr s VAL 134 Ca -0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1zrr s VAL 134 Cb -0.15 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1zrr s VAL 134 CO 0.04 0.53 1.12 -2.16 0.00 0.00 0.00 175.10 174.63 1zrr s PRO 135 N -1.19 2.88 0.21 2.72 0.04 -1.26 -1.98 135.00 136.41 1zrr s PRO 135 Ca 0.17 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1zrr s PRO 135 Cb -0.12 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1zrr s PRO 135 CO 0.06 -1.20 1.25 0.00 0.04 0.00 0.00 177.00 177.15 1zrr s ALA 136 N -2.16 3.48 0.00 8.56 0.00 -1.25 -2.91 121.76 127.48 1zrr s ALA 136 Ca 0.69 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1zrr s ALA 136 Cb -0.22 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1zrr s ALA 136 CO 0.38 -0.45 0.00 0.72 0.00 0.00 0.00 175.76 176.41 1zrr n HIS 137 N 2.35 0.00 -4.08 0.00 8.25 -0.74 -4.94 115.22 116.06 1zrr n HIS 137 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1zrr n HIS 137 Cb 0.44 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.31 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1zrr s THR 138 N -2.00 4.32 0.20 1.59 2.01 -1.14 -5.02 115.64 115.60 1zrr s THR 138 Ca 0.00 -0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1zrr s THR 138 Cb 0.00 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 1zrr s THR 138 CO 0.00 0.44 1.57 -2.16 -0.69 0.00 0.00 174.62 173.78 1zrr s PRO 139 N 0.70 4.20 -0.02 4.92 0.04 -1.25 -4.65 135.00 138.95 1zrr s PRO 139 Ca 0.01 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1zrr s PRO 139 Cb -0.14 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.39 1zrr s PRO 139 CO 0.02 -0.59 1.03 -3.38 0.04 0.00 0.00 177.00 174.12 1zrr s HIS 140 N 0.77 -0.21 0.00 0.56 -3.43 -1.09 -3.46 115.29 108.43 1zrr s HIS 140 Ca 0.68 0.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 1zrr s HIS 140 Cb -0.45 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1zrr s HIS 140 CO 0.36 -0.48 0.00 -2.67 -2.00 0.00 0.00 174.74 169.95 1zrr n TRP 141 N -0.28 0.00 -3.50 0.38 2.14 -1.26 -2.57 117.44 112.35 1zrr n TRP 141 Ca -0.06 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.53 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.05 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 1.44 -0.19 -0.07 -2.67 5.99 -1.26 -4.88 117.98 116.34 1zrr s PHE 142 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 56.93 57.24 1zrr s PHE 142 Cb 0.00 0.11 0.03 0.00 0.00 0.00 0.00 43.02 43.16 1zrr s PHE 142 CO 0.00 -0.09 0.17 0.16 -0.00 0.00 0.00 175.22 175.46 1zrr s ASP 143 N 1.47 -0.17 -0.15 6.13 3.84 -1.26 -4.23 116.67 122.30 1zrr s ASP 143 Ca -0.05 0.36 0.16 0.00 -0.00 0.00 0.00 52.55 53.02 1zrr s ASP 143 Cb -0.02 0.30 0.46 0.00 -1.38 0.00 0.00 42.92 42.27 1zrr s ASP 143 CO -0.13 -0.11 1.35 1.15 -0.00 0.00 0.00 175.17 177.43 1zrr n MET 144 N 3.69 2.60 0.00 2.11 0.00 -1.26 -4.84 117.12 119.42 1zrr n MET 144 Ca -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 57.70 54.78 1zrr n MET 144 Cb 0.55 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zrr n GLY 145 N -0.63 0.00 3.64 3.17 0.00 -1.26 -3.19 105.19 106.93 1zrr n GLY 145 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1zrr n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zrr s SER 146 N 0.00 6.84 -0.29 1.61 1.04 -1.26 -4.84 113.70 116.81 1zrr s SER 146 Ca 0.00 1.03 -0.03 0.00 0.48 0.00 0.00 55.95 57.43 1zrr s SER 146 Cb 0.00 -2.45 0.04 0.00 0.10 0.00 0.00 66.02 63.71 1zrr s SER 146 CO 0.00 -0.55 -0.00 -1.83 0.98 0.00 0.00 173.24 171.83 1zrr s GLU 147 N 2.92 2.65 -0.49 4.02 1.03 -1.19 -4.97 118.70 122.67 1zrr s GLU 147 Ca 0.36 -1.12 0.03 0.00 0.03 0.00 0.00 54.97 54.27 1zrr s GLU 147 Cb -0.15 -3.16 0.55 0.00 -0.80 0.00 0.00 34.13 30.57 1zrr s GLU 147 CO 0.08 -0.53 1.84 -0.35 -1.33 0.00 0.00 175.26 174.96 1zrr n PRO 148 N 4.68 2.43 -1.38 -4.83 -0.04 -1.26 -4.49 135.00 130.12 1zrr n PRO 148 Ca -0.14 -3.22 0.00 0.00 -0.04 0.00 0.00 63.50 60.10 1zrr n PRO 148 Cb 0.45 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.04 -1.84 -4.80 3.54 4.05 -1.26 -4.74 115.26 109.18 1zrr n ASN 149 Ca 0.56 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 55.21 1zrr n ASN 149 Cb 1.18 -0.92 -0.06 0.00 1.23 0.00 0.00 39.78 41.20 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 -2.92 3.59 -0.28 1.20 -0.12 -1.26 -4.74 117.98 113.45 1zrr s PHE 150 Ca 0.00 0.75 -0.13 0.00 -0.05 0.00 0.00 56.93 57.50 1zrr s PHE 150 Cb 0.00 -2.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.10 1zrr s PHE 150 CO 0.00 0.49 0.29 0.99 -0.05 0.00 0.00 175.22 176.94 1zrr s THR 151 N -0.42 5.24 0.05 -4.49 2.01 -0.41 -4.01 115.64 113.61 1zrr s THR 151 Ca 0.19 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 1zrr s THR 151 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1zrr s THR 151 CO 0.08 0.18 -0.02 0.00 -0.69 0.00 0.00 174.62 174.18 1zrr s ALA 152 N 1.93 0.46 -0.19 7.40 0.00 -1.12 -0.82 121.76 129.41 1zrr s ALA 152 Ca 0.11 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 1zrr s ALA 152 Cb -0.16 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1zrr s ALA 152 CO 0.10 -0.38 -0.01 0.42 0.00 0.00 0.00 175.76 175.90 1zrr s ILE 153 N -3.91 3.93 0.15 0.00 1.01 0.13 -1.33 121.20 121.17 1zrr s ILE 153 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1zrr s ILE 153 Cb 0.08 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1zrr s ILE 153 CO -0.10 0.45 -0.08 -0.13 0.00 0.00 0.00 174.94 175.07 1zrr s ARG 154 N 0.84 1.05 0.21 2.79 0.52 -0.44 -2.74 118.95 121.16 1zrr s ARG 154 Ca 0.00 -1.45 0.07 0.00 -0.52 0.00 0.00 55.73 53.83 1zrr s ARG 154 Cb -0.14 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.76 1zrr s ARG 154 CO 0.02 0.03 0.09 0.42 0.02 0.00 0.00 175.30 175.88 1zrr s ILE 155 N -3.41 4.09 -0.28 1.52 -1.09 -1.26 -2.48 121.20 118.29 1zrr s ILE 155 Ca 0.17 -1.39 -0.11 0.00 -2.23 0.00 0.00 60.65 57.09 1zrr s ILE 155 Cb 0.03 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 1zrr s ILE 155 CO 0.00 -0.21 0.18 -0.36 -1.23 0.00 0.00 174.94 173.33 1zrr s PHE 156 N -1.93 3.21 0.11 3.97 0.40 -0.16 -4.94 117.98 118.64 1zrr s PHE 156 Ca 0.30 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.72 1zrr s PHE 156 Cb -0.09 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1zrr s PHE 156 CO 0.22 -0.19 -0.08 0.16 0.70 0.00 0.00 175.22 176.03 1zrr s ASP 157 N 1.75 1.31 0.03 1.36 1.47 -1.26 -3.65 116.67 117.68 1zrr s ASP 157 Ca 0.07 -0.97 -0.04 0.00 1.18 0.00 0.00 52.55 52.78 1zrr s ASP 157 Cb -0.16 0.06 -0.05 0.00 -0.34 0.00 0.00 42.92 42.43 1zrr s ASP 157 CO 0.10 -0.41 0.25 0.20 0.68 0.00 0.00 175.17 176.00 1zrr s ASN 158 N -2.97 6.44 -0.04 2.11 -0.87 -1.26 -5.03 114.94 113.32 1zrr s ASN 158 Ca 0.12 0.46 -0.24 0.00 -1.57 0.00 0.00 52.86 51.62 1zrr s ASN 158 Cb 0.03 -2.04 -0.18 0.00 -0.02 0.00 0.00 41.25 39.04 1zrr s ASN 158 CO -0.03 0.21 1.06 1.55 -2.57 0.00 0.00 177.10 177.32 1zrr h PRO 159 N 3.61 -0.15 0.00 -0.60 0.13 -2.01 -3.12 132.00 129.85 1zrr h PRO 159 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 159 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1zrr h PRO 159 CO 0.70 0.32 0.59 0.39 -0.23 0.00 0.00 178.00 179.77 1zrr n GLU 160 N -4.91 0.03 0.08 0.86 -0.58 -1.26 0.30 120.64 115.16 1zrr n GLU 160 Ca -0.08 0.46 -0.10 0.00 -0.42 0.00 0.00 57.16 57.01 1zrr n GLU 160 Cb 0.27 -2.19 -0.11 0.00 -0.57 0.00 0.00 31.44 28.84 1zrr n GLU 160 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1zrr h GLY 161 N 0.00 0.14 -0.80 0.62 0.00 -1.97 -3.46 103.07 97.60 1zrr h GLY 161 Ca 0.00 -0.34 -0.65 0.00 0.00 0.00 0.00 47.33 46.33 1zrr h GLY 161 CO 0.00 0.30 -0.51 0.66 0.00 0.00 0.00 176.54 176.99 1zrr s TRP 162 N -2.75 2.03 0.09 5.60 1.48 0.86 -4.69 118.94 121.56 1zrr s TRP 162 Ca -0.01 -0.86 -0.09 0.00 -1.06 0.00 0.00 56.10 54.07 1zrr s TRP 162 Cb 0.09 -1.70 -0.06 0.00 -1.16 0.00 0.00 33.47 30.64 1zrr s TRP 162 CO 0.84 0.21 0.40 0.42 -4.06 0.00 0.00 176.95 174.77 1zrr s ILE 163 N -2.82 5.10 0.00 0.66 1.01 -1.24 -4.90 121.20 119.01 1zrr s ILE 163 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1zrr s ILE 163 Cb 0.03 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1zrr s ILE 163 CO 0.09 0.25 0.11 0.00 0.00 0.00 0.00 174.94 175.40 1zrr n ALA 164 N 0.79 -0.05 -2.42 9.38 0.00 -1.26 -3.73 120.51 123.22 1zrr n ALA 164 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1zrr n ALA 164 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.92 1.38 -0.24 0.00 -0.21 -1.26 -3.96 119.66 114.45 1zrr s GLN 165 Ca 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.03 1zrr s GLN 165 Cb 0.00 -1.79 -0.15 0.00 1.00 0.00 0.00 33.01 32.06 1zrr s GLN 165 CO 0.00 0.41 -0.22 1.97 -2.12 0.00 0.00 175.29 175.34 1zrr n PHE 166 N 0.77 0.00 -0.05 0.91 1.16 -1.26 -4.70 117.46 114.28 1zrr n PHE 166 Ca -0.17 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.36 1zrr n PHE 166 Cb 0.54 -0.92 -0.08 0.00 -1.61 0.00 0.00 39.48 37.41 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1zrr n THR 167 N -3.24 0.69 0.00 1.97 -1.04 -1.26 -5.01 114.28 106.38 1zrr n THR 167 Ca -0.43 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 1zrr n THR 167 Cb 0.95 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 2.45 0.34 3.83 3.41 0.00 -1.26 -5.08 105.19 108.87 1zrr n GLY 168 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.38 6.94 -0.70 1.61 -0.00 -1.26 -5.03 116.67 115.86 1zrr s ASP 169 Ca 0.00 1.53 -0.05 0.00 -0.00 0.00 0.00 52.55 54.03 1zrr s ASP 169 Cb 0.00 -2.47 0.18 0.00 -0.00 0.00 0.00 42.92 40.63 1zrr s ASP 169 CO 0.00 -0.22 0.54 -0.62 -0.00 0.00 0.00 175.17 174.87 1zrr s ASP 170 N -2.08 5.61 0.42 0.27 3.68 -1.26 -4.74 116.67 118.56 1zrr s ASP 170 Ca 0.55 -2.93 0.23 0.00 2.13 0.00 0.00 52.55 52.53 1zrr s ASP 170 Cb -0.11 -1.93 0.59 0.00 -1.45 0.00 0.00 42.92 40.02 1zrr s ASP 170 CO 0.17 -0.38 1.69 -0.29 0.13 0.00 0.00 175.17 176.48 1zrr h ILE 171 N 5.03 0.38 -0.93 4.11 2.10 -1.95 -3.10 117.51 123.14 1zrr h ILE 171 Ca 0.03 -1.27 0.00 0.00 1.08 0.00 0.00 64.86 64.70 1zrr h ILE 171 Cb 0.95 1.97 -0.05 0.00 -1.09 0.00 0.00 36.82 38.60 1zrr h ILE 171 CO 0.73 0.19 0.60 0.00 -1.08 0.00 0.00 178.15 178.59 1zrr h ALA 172 N 1.81 1.18 0.00 0.18 0.00 -1.89 -0.92 119.26 119.63 1zrr h ALA 172 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1zrr h ALA 172 Cb 0.95 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1zrr h ALA 172 CO 0.02 0.61 0.08 0.43 0.00 0.00 0.00 179.25 180.39 1zrr n SER 173 N -4.41 0.00 0.06 0.00 7.64 -1.17 -1.22 113.62 114.52 1zrr n SER 173 Ca 0.10 0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.87 1zrr n SER 173 Cb 0.03 -0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zrr h ALA 174 N 1.12 0.02 -0.29 -0.43 0.00 -1.38 -3.36 119.26 114.94 1zrr h ALA 174 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1zrr h ALA 174 Cb 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1zrr h ALA 174 CO 0.00 0.57 -0.04 0.66 0.00 0.00 0.00 179.25 180.44 1zrr n TYR 175 N -3.94 0.94 0.30 0.00 4.02 -0.36 -4.81 117.16 113.32 1zrr n TYR 175 Ca -0.13 -1.28 0.18 0.00 -0.01 0.00 0.00 57.90 56.66 1zrr n TYR 175 Cb 0.88 -0.40 0.96 0.00 -0.02 0.00 0.00 39.34 40.76 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1zrr h PRO 176 N 1.21 0.00 -5.75 -0.72 0.13 -1.70 -3.41 132.00 121.77 1zrr h PRO 176 Ca 0.12 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.67 1zrr h PRO 176 Cb 1.52 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.57 1zrr h PRO 176 CO 0.29 0.03 0.04 -0.98 -0.23 0.00 0.00 178.00 177.16 1zrr s ARG 177 N -4.24 4.29 -0.28 0.86 1.70 -1.26 -4.21 118.95 115.82 1zrr s ARG 177 Ca -0.04 0.62 -0.22 0.00 -0.47 0.00 0.00 55.73 55.62 1zrr s ARG 177 Cb 0.13 -3.52 -0.01 0.00 -0.57 0.00 0.00 34.95 30.99 1zrr s ARG 177 CO 0.51 -0.07 0.72 -1.17 -1.08 0.00 0.00 175.30 174.21 1zrr s LEU 178 N 1.35 4.09 0.00 -1.89 2.96 -1.26 -4.90 118.68 119.02 1zrr s LEU 178 Ca 0.30 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 1zrr s LEU 178 Cb -0.16 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.54 1zrr s LEU 178 CO 0.12 -0.50 0.00 0.00 -1.32 0.00 0.00 176.35 174.65