#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 4.26 -0.27 7.33 0.00 -1.22 -3.14 121.76 128.73 1zrr s ALA 2 Ca 0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.35 1zrr s ALA 2 Cb 0.00 -1.82 0.12 0.00 0.00 0.00 0.00 23.12 21.43 1zrr s ALA 2 CO 0.00 -0.47 0.56 -1.17 0.00 0.00 0.00 175.76 174.68 1zrr s LEU 3 N -4.52 -0.99 -0.12 0.00 2.96 -0.91 -2.84 118.68 112.26 1zrr s LEU 3 Ca 0.56 1.30 -0.02 0.00 -0.22 0.00 0.00 54.13 55.75 1zrr s LEU 3 Cb -0.10 1.96 -0.03 0.00 0.50 0.00 0.00 46.19 48.52 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 2.80 3.79 -0.04 3.68 2.01 0.16 -3.53 115.64 124.51 1zrr s THR 4 Ca -0.02 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1zrr s THR 4 Cb -0.12 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 1zrr s THR 4 CO -0.17 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 1zrr s ILE 5 N -0.11 1.28 0.26 1.82 1.01 -1.11 0.09 121.20 124.44 1zrr s ILE 5 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1zrr s ILE 5 Cb -0.13 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1zrr s ILE 5 CO 0.03 0.37 -0.00 -0.36 0.00 0.00 0.00 174.94 174.97 1zrr s PHE 6 N 0.01 1.71 0.76 3.97 0.40 -0.93 -1.88 117.98 122.02 1zrr s PHE 6 Ca -0.02 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.36 1zrr s PHE 6 Cb -0.10 -1.01 0.11 0.00 0.51 0.00 0.00 43.02 42.53 1zrr s PHE 6 CO 0.01 0.03 1.06 -1.12 0.70 0.00 0.00 175.22 175.91 1zrr s SER 7 N -3.36 4.31 0.03 1.36 0.01 -1.21 -0.77 113.70 114.07 1zrr s SER 7 Ca 0.30 0.12 0.13 0.00 1.31 0.00 0.00 55.95 57.82 1zrr s SER 7 Cb 0.06 -0.56 -0.18 0.00 0.21 0.00 0.00 66.02 65.55 1zrr s SER 7 CO 0.11 -1.91 0.84 -0.37 0.41 0.00 0.00 173.24 172.31 1zrr h VAL 8 N -0.77 0.83 -0.10 3.43 -1.51 -1.90 -3.36 116.25 112.88 1zrr h VAL 8 Ca -0.42 -2.52 -0.20 0.00 -1.23 0.00 0.00 66.70 62.33 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 0.48 0.48 -0.76 0.11 -1.23 0.00 0.00 177.57 176.65 1zrr h LYS 9 N 0.00 0.55 -3.75 5.19 1.57 -1.94 -3.43 116.57 114.76 1zrr h LYS 9 Ca -0.20 -0.46 -0.40 0.00 -1.87 0.00 0.00 60.65 57.73 1zrr h LYS 9 Cb 1.81 0.10 -0.36 0.00 0.08 0.00 0.00 32.23 33.85 1zrr h LYS 9 CO 0.07 1.08 -0.76 0.16 -0.57 0.00 0.00 179.45 179.44 1zrr s ASP 10 N -7.03 1.07 0.04 0.86 -4.77 -1.26 -5.03 116.67 100.55 1zrr s ASP 10 Ca -0.07 -0.06 -0.10 0.00 -3.30 0.00 0.00 52.55 49.01 1zrr s ASP 10 Cb 0.10 -0.35 -0.32 0.00 -1.09 0.00 0.00 42.92 41.25 1zrr s ASP 10 CO 0.87 -0.14 1.01 1.55 0.70 0.00 0.00 175.17 179.16 1zrr h PRO 11 N 7.77 0.41 0.00 2.11 0.13 -1.85 -3.22 132.00 137.36 1zrr h PRO 11 Ca -0.30 -0.71 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1zrr h PRO 11 Cb 1.13 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1zrr h PRO 11 CO 0.36 1.33 0.00 0.94 -0.23 0.00 0.00 178.00 180.40 1zrr n GLN 12 N -3.62 0.47 -3.99 0.86 7.27 -1.26 -4.53 117.38 112.59 1zrr n GLN 12 Ca -0.15 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.58 1zrr n GLN 12 Cb 1.07 -1.19 -0.15 0.00 2.41 0.00 0.00 30.24 32.39 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1zrr s ASN 13 N -1.70 3.99 -0.26 1.69 0.02 -1.23 -5.08 114.94 112.36 1zrr s ASN 13 Ca 0.09 -0.45 -0.11 0.00 -1.02 0.00 0.00 52.86 51.36 1zrr s ASN 13 Cb 0.04 -1.67 -0.05 0.00 0.02 0.00 0.00 41.25 39.59 1zrr s ASN 13 CO 0.07 -0.01 0.17 -0.94 0.02 0.00 0.00 177.10 176.41 1zrr s SER 14 N 1.40 6.01 0.00 -1.22 1.04 -1.26 -3.34 113.70 116.33 1zrr s SER 14 Ca 0.05 0.03 0.26 0.00 0.48 0.00 0.00 55.95 56.77 1zrr s SER 14 Cb -0.14 -2.10 0.72 0.00 0.10 0.00 0.00 66.02 64.60 1zrr s SER 14 CO -0.05 -0.00 1.55 0.18 0.98 0.00 0.00 173.24 175.90 1zrr n LEU 15 N 4.75 0.67 -3.20 2.42 4.77 -0.78 -4.72 117.00 120.89 1zrr n LEU 15 Ca -0.14 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1zrr n LEU 15 Cb 0.52 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1zrr n LEU 15 CO 0.34 0.14 0.08 0.86 -1.33 0.00 0.00 177.39 177.47 1zrr s TRP 16 N -2.75 -1.47 -0.27 -1.77 -0.00 -1.23 -5.04 118.94 106.41 1zrr s TRP 16 Ca 0.18 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.50 1zrr s TRP 16 Cb 0.19 0.31 0.05 0.00 -0.00 0.00 0.00 33.47 34.02 1zrr s TRP 16 CO 0.60 -0.92 -0.08 -1.58 -0.00 0.00 0.00 176.95 174.97 1zrr s HIS 17 N 2.76 3.22 0.14 5.86 2.46 -1.26 -2.74 115.29 125.72 1zrr s HIS 17 Ca 0.15 -2.06 -0.24 0.00 0.47 0.00 0.00 55.06 53.37 1zrr s HIS 17 Cb -0.13 -2.00 0.07 0.00 -0.13 0.00 0.00 32.58 30.39 1zrr s HIS 17 CO -0.23 -0.84 0.73 -1.12 -2.47 0.00 0.00 174.74 170.82 1zrr s SER 18 N 1.18 -0.42 -0.42 9.88 0.01 -1.23 -5.08 113.70 117.62 1zrr s SER 18 Ca -0.06 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1zrr s SER 18 Cb -0.19 0.56 0.13 0.00 0.21 0.00 0.00 66.02 66.73 1zrr s SER 18 CO -0.04 -0.95 0.23 0.28 0.41 0.00 0.00 173.24 173.17 1zrr s THR 19 N -3.58 1.14 0.03 1.44 -1.32 -1.26 -2.14 115.64 109.95 1zrr s THR 19 Ca 0.05 -2.35 0.07 0.00 -1.21 0.00 0.00 61.69 58.25 1zrr s THR 19 Cb -0.02 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 1zrr s THR 19 CO -0.07 -0.90 -0.21 0.20 -2.21 0.00 0.00 174.62 171.43 1zrr s ASN 20 N 0.54 2.45 -0.01 8.08 0.01 -1.19 -4.68 114.94 120.14 1zrr s ASN 20 Ca 0.17 -0.48 -0.16 0.00 -0.71 0.00 0.00 52.86 51.69 1zrr s ASN 20 Cb -0.24 -0.22 -0.33 0.00 0.41 0.00 0.00 41.25 40.86 1zrr s ASN 20 CO -0.00 0.19 0.87 0.00 -1.51 0.00 0.00 177.10 176.65 1zrr h ALA 21 N 5.09 -0.06 0.03 0.60 0.00 -1.99 -3.04 119.26 119.90 1zrr h ALA 21 Ca -0.41 -0.92 -0.12 0.00 0.00 0.00 0.00 54.91 53.45 1zrr h ALA 21 Cb 1.15 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1zrr h ALA 21 CO 0.45 0.74 -0.62 0.93 0.00 0.00 0.00 179.25 180.75 1zrr h GLU 22 N 0.04 0.07 0.00 0.00 5.08 -1.99 -3.12 114.58 114.67 1zrr h GLU 22 Ca -0.27 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1zrr h GLU 22 Cb 2.06 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.35 1zrr h GLU 22 CO 0.22 1.06 -0.01 1.49 -1.00 0.00 0.00 179.01 180.77 1zrr h GLU 23 N -0.82 0.00 0.14 2.33 4.81 -1.98 0.49 114.58 119.55 1zrr h GLU 23 Ca -0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1zrr h GLU 23 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1zrr h GLU 23 CO -0.02 0.01 -0.07 0.82 -0.73 0.00 0.00 179.01 179.02 1zrr h ILE 24 N 0.00 0.95 0.23 2.32 2.04 -1.61 0.21 117.51 121.65 1zrr h ILE 24 Ca -0.00 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1zrr h ILE 24 Cb 0.04 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1zrr h ILE 24 CO 0.00 0.24 -0.15 -0.61 0.00 0.00 0.00 178.15 177.63 1zrr h GLN 25 N -0.82 -0.36 -1.00 2.37 4.15 -1.31 2.91 115.11 121.05 1zrr h GLN 25 Ca -0.02 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1zrr h GLN 25 Cb 0.54 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 1zrr h GLN 25 CO 0.03 -0.24 0.66 0.37 -1.93 0.00 0.00 178.83 177.72 1zrr h GLN 26 N -0.38 1.29 0.00 1.69 -0.00 -1.01 1.61 115.11 118.32 1zrr h GLN 26 Ca -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1zrr h GLN 26 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 27.48 27.51 1zrr h GLN 26 CO 0.02 0.86 -0.00 0.37 0.00 0.00 0.00 178.83 180.07 1zrr h GLN 27 N 1.33 -0.00 0.33 1.69 4.15 -0.05 -2.25 115.11 120.32 1zrr h GLN 27 Ca 0.37 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 1zrr h GLN 27 Cb -0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1zrr h GLN 27 CO -0.09 0.88 -0.16 1.25 -1.93 0.00 0.00 178.83 178.79 1zrr h LEU 28 N -0.91 -0.37 -2.48 -2.39 5.85 0.53 -2.76 115.31 112.79 1zrr h LEU 28 Ca -0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1zrr h LEU 28 Cb 0.89 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1zrr h LEU 28 CO 0.00 0.05 0.17 -1.13 -0.34 0.00 0.00 178.44 177.19 1zrr h ASN 29 N -0.89 0.00 0.45 1.25 -0.73 0.23 0.59 115.58 116.48 1zrr h ASN 29 Ca -0.05 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 1zrr h ASN 29 Cb 0.52 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1zrr h ASN 29 CO 0.07 0.00 -0.21 0.00 -0.37 0.00 0.00 177.43 176.93 1zrr h ALA 30 N 1.70 1.29 -0.25 1.57 0.00 -1.09 -1.01 119.26 121.47 1zrr h ALA 30 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 30 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1zrr h ALA 30 CO -0.00 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.14 1zrr n LYS 31 N -3.76 1.62 -0.35 0.00 4.01 0.21 -4.83 118.16 115.06 1zrr n LYS 31 Ca -0.02 -0.91 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 1zrr n LYS 31 Cb 0.31 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 32 N 0.85 0.95 3.87 0.72 0.00 -0.39 -5.00 105.19 106.20 1zrr n GLY 32 Ca 0.08 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 5.10 0.49 1.61 1.01 -1.20 -4.04 120.40 121.38 1zrr s VAL 33 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1zrr s VAL 33 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1zrr s VAL 33 CO 0.00 0.22 0.87 -0.60 0.00 0.00 0.00 175.10 175.59 1zrr s ARG 34 N -2.09 3.70 0.03 2.72 3.52 -0.47 -4.12 118.95 122.24 1zrr s ARG 34 Ca 0.35 0.54 -0.21 0.00 -0.13 0.00 0.00 55.73 56.28 1zrr s ARG 34 Cb -0.13 -2.28 0.05 0.00 -1.56 0.00 0.00 34.95 31.02 1zrr s ARG 34 CO 0.19 -0.24 0.48 0.12 -0.81 0.00 0.00 175.30 175.05 1zrr s PHE 35 N -2.69 -0.37 -0.01 5.12 5.36 -1.26 -3.72 117.98 120.42 1zrr s PHE 35 Ca 0.52 0.44 -0.29 0.00 -0.96 0.00 0.00 56.93 56.64 1zrr s PHE 35 Cb -0.10 0.28 0.11 0.00 -0.34 0.00 0.00 43.02 42.97 1zrr s PHE 35 CO 0.40 -0.59 1.28 -1.83 -1.46 0.00 0.00 175.22 173.02 1zrr s GLU 36 N -2.19 0.43 -0.21 10.12 1.03 -1.19 -4.93 118.70 121.77 1zrr s GLU 36 Ca -0.07 -0.25 -0.04 0.00 0.03 0.00 0.00 54.97 54.64 1zrr s GLU 36 Cb -0.01 0.13 0.10 0.00 -0.80 0.00 0.00 34.13 33.56 1zrr s GLU 36 CO 0.00 -0.20 0.32 1.03 -1.33 0.00 0.00 175.26 175.08 1zrr s ARG 37 N -2.29 0.26 0.10 -4.83 0.52 -1.26 -3.18 118.95 108.27 1zrr s ARG 37 Ca 0.19 0.53 0.06 0.00 -0.52 0.00 0.00 55.73 56.00 1zrr s ARG 37 Cb 0.03 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 1zrr s ARG 37 CO -0.03 -0.54 -0.07 -1.58 0.02 0.00 0.00 175.30 173.11 1zrr s TRP 38 N 2.47 2.83 0.06 -0.53 0.51 -1.26 -5.01 118.94 118.01 1zrr s TRP 38 Ca 0.07 -0.11 0.00 0.00 -2.12 0.00 0.00 56.10 53.95 1zrr s TRP 38 Cb -0.15 -1.47 -0.04 0.00 -0.81 0.00 0.00 33.47 31.01 1zrr s TRP 38 CO -0.13 0.44 -0.05 -0.65 -0.51 0.00 0.00 176.95 176.05 1zrr s GLN 39 N -2.22 0.65 0.23 4.98 -1.52 -1.26 -4.77 119.66 115.75 1zrr s GLN 39 Ca 0.23 -1.15 0.04 0.00 -1.95 0.00 0.00 55.36 52.53 1zrr s GLN 39 Cb -0.11 -0.00 -0.03 0.00 -0.22 0.00 0.00 33.01 32.64 1zrr s GLN 39 CO 0.15 -0.05 0.37 0.00 -0.25 0.00 0.00 175.29 175.50 1zrr s ALA 40 N -3.28 3.91 -0.66 6.09 0.00 -1.26 -5.00 121.76 121.55 1zrr s ALA 40 Ca 0.04 -1.14 0.20 0.00 0.00 0.00 0.00 51.96 51.07 1zrr s ALA 40 Cb 0.03 -1.79 -0.25 0.00 0.00 0.00 0.00 23.12 21.11 1zrr s ALA 40 CO -0.06 0.28 0.72 -0.25 0.00 0.00 0.00 175.76 176.45 1zrr n ASP 41 N -1.25 0.75 -4.93 0.00 8.00 -1.26 -4.94 116.55 112.93 1zrr n ASP 41 Ca -0.08 -0.68 -0.26 0.00 0.71 0.00 0.00 54.79 54.49 1zrr n ASP 41 Cb 0.56 1.28 -0.02 0.00 -0.02 0.00 0.00 41.12 42.92 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 -3.03 3.53 -0.27 -1.24 0.52 -1.26 -5.05 118.95 112.14 1zrr s ARG 42 Ca 0.03 -0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 1zrr s ARG 42 Cb 0.14 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 1zrr s ARG 42 CO 0.82 0.13 0.50 0.34 0.02 0.00 0.00 175.30 177.11 1zrr s ASP 43 N -3.77 6.39 0.48 0.23 2.15 -1.26 -5.06 116.67 115.82 1zrr s ASP 43 Ca 0.42 0.41 -0.01 0.00 0.43 0.00 0.00 52.55 53.80 1zrr s ASP 43 Cb -0.10 -2.27 -0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1zrr s ASP 43 CO 0.35 -0.30 0.72 -0.76 -0.17 0.00 0.00 175.17 175.02 1zrr s LEU 44 N 2.29 3.57 0.00 -1.34 1.43 -1.26 -5.03 118.68 118.34 1zrr s LEU 44 Ca 0.20 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1zrr s LEU 44 Cb -0.16 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1zrr s LEU 44 CO 0.10 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1zrr n GLY 45 N -2.19 0.46 3.56 -3.19 0.00 -1.26 -5.03 105.19 97.54 1zrr n GLY 45 Ca 0.02 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.06 2.68 -0.58 4.61 0.00 -1.26 -4.90 121.76 121.24 1zrr s ALA 46 Ca 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 51.96 49.65 1zrr s ALA 46 Cb 0.00 -4.55 0.15 0.00 0.00 0.00 0.00 23.12 18.72 1zrr s ALA 46 CO 0.00 -3.70 0.41 0.00 0.00 0.00 0.00 175.76 172.46 1zrr s ALA 47 N 5.40 3.52 0.16 0.00 0.00 -1.26 -4.91 121.76 124.67 1zrr s ALA 47 Ca 0.49 -3.08 0.13 0.00 0.00 0.00 0.00 51.96 49.50 1zrr s ALA 47 Cb -0.00 -2.67 0.32 0.00 0.00 0.00 0.00 23.12 20.77 1zrr s ALA 47 CO -0.07 -2.04 1.57 -1.00 0.00 0.00 0.00 175.76 174.22 1zrr h PRO 48 N 7.36 0.00 -6.63 0.00 0.13 -2.06 -3.44 132.00 127.35 1zrr h PRO 48 Ca -0.04 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.39 1zrr h PRO 48 Cb 0.98 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.82 1zrr h PRO 48 CO 0.72 0.60 -0.89 0.95 -0.23 0.00 0.00 178.00 179.15 1zrr s THR 49 N -3.37 2.09 -0.58 1.56 -4.23 -1.26 -5.01 115.64 104.84 1zrr s THR 49 Ca 0.00 -1.16 0.24 0.00 -1.18 0.00 0.00 61.69 59.59 1zrr s THR 49 Cb 0.11 -1.74 0.28 0.00 1.34 0.00 0.00 72.50 72.49 1zrr s THR 49 CO 0.75 0.53 1.64 0.00 -0.54 0.00 0.00 174.62 177.00 1zrr h ALA 50 N 5.34 0.95 -1.09 3.99 0.00 -2.00 -3.30 119.26 123.14 1zrr h ALA 50 Ca -0.44 0.00 0.31 0.00 0.00 0.00 0.00 54.91 54.78 1zrr h ALA 50 Cb 1.13 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1zrr h ALA 50 CO 0.46 0.00 0.68 1.49 0.00 0.00 0.00 179.25 181.88 1zrr h GLU 51 N 0.00 0.33 0.02 0.00 4.57 -1.99 1.15 114.58 118.66 1zrr h GLU 51 Ca 0.00 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.95 1zrr h GLU 51 Cb 0.86 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1zrr h GLU 51 CO 0.00 0.22 -0.99 1.79 -1.18 0.00 0.00 179.01 178.85 1zrr h THR 52 N 0.34 1.63 -0.05 0.32 1.35 -2.00 -3.01 112.91 111.50 1zrr h THR 52 Ca 0.68 -3.15 -0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1zrr h THR 52 Cb 1.73 2.75 -0.00 0.00 -1.73 0.00 0.00 68.15 70.90 1zrr h THR 52 CO -0.41 0.91 -0.04 0.58 -0.25 0.00 0.00 175.52 176.31 1zrr h VAL 53 N 0.03 1.35 -0.94 6.82 2.07 0.10 -2.43 116.25 123.25 1zrr h VAL 53 Ca -0.03 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1zrr h VAL 53 Cb 1.71 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1zrr h VAL 53 CO 0.14 0.30 0.62 0.40 0.02 0.00 0.00 177.57 179.05 1zrr h ILE 54 N -0.31 1.22 -0.09 4.57 2.04 -0.74 -0.47 117.51 123.73 1zrr h ILE 54 Ca 0.01 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1zrr h ILE 54 Cb 0.51 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1zrr h ILE 54 CO 0.01 0.23 -0.07 0.00 0.00 0.00 0.00 178.15 178.31 1zrr h ALA 55 N 1.42 1.72 0.00 1.87 0.00 -1.45 1.27 119.26 124.10 1zrr h ALA 55 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1zrr h ALA 55 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1zrr h ALA 55 CO -0.09 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1zrr h ALA 56 N 1.81 1.00 -0.00 0.00 0.00 -0.59 -3.13 119.26 118.35 1zrr h ALA 56 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zrr h ALA 56 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zrr h ALA 56 CO 0.01 0.00 -0.20 0.66 0.00 0.00 0.00 179.25 179.72 1zrr n TYR 57 N -2.74 0.00 -0.34 0.00 4.01 -0.21 -4.60 117.16 113.27 1zrr n TYR 57 Ca 0.03 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.95 1zrr n TYR 57 Cb 0.38 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.82 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1zrr h GLN 58 N 0.45 0.54 -0.59 -0.72 1.08 0.16 0.19 115.11 116.23 1zrr h GLN 58 Ca 0.00 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1zrr h GLN 58 Cb 0.20 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 1zrr h GLN 58 CO 0.00 0.36 0.13 1.12 -0.95 0.00 0.00 178.83 179.49 1zrr h HIS 59 N 0.56 0.21 0.75 2.96 2.07 -1.81 2.47 115.15 122.36 1zrr h HIS 59 Ca 0.64 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 58.16 1zrr h HIS 59 Cb 1.26 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.24 1zrr h HIS 59 CO -0.01 -0.02 -0.36 0.00 -3.07 0.00 0.00 177.93 174.47 1zrr h ALA 60 N 1.47 -1.15 0.00 6.11 0.00 -0.96 -2.75 119.26 121.98 1zrr h ALA 60 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1zrr h ALA 60 Cb 0.45 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1zrr h ALA 60 CO -0.39 -1.07 -0.05 -0.84 0.00 0.00 0.00 179.25 176.89 1zrr h ILE 61 N -1.11 0.98 -0.12 0.00 -0.00 -1.17 -0.27 117.51 115.83 1zrr h ILE 61 Ca -0.10 -0.19 0.03 0.00 -0.00 0.00 0.00 64.86 64.60 1zrr h ILE 61 Cb 0.77 1.10 -0.00 0.00 -0.00 0.00 0.00 36.82 38.69 1zrr h ILE 61 CO 0.17 0.05 0.12 -0.78 -0.00 0.00 0.00 178.15 177.71 1zrr h ASP 62 N 0.00 0.00 0.01 2.16 3.58 0.45 -0.34 116.42 122.29 1zrr h ASP 62 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1zrr h ASP 62 Cb 0.10 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.17 1zrr h ASP 62 CO 0.01 0.00 -0.97 0.11 -2.88 0.00 0.00 179.24 175.50 1zrr h LYS 63 N 0.00 0.69 -0.52 0.28 1.57 -0.76 -2.63 116.57 115.20 1zrr h LYS 63 Ca 0.06 -0.70 -0.05 0.00 -1.87 0.00 0.00 60.65 58.09 1zrr h LYS 63 Cb 0.30 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1zrr h LYS 63 CO -0.00 1.28 0.12 -0.07 -0.57 0.00 0.00 179.45 180.21 1zrr h LEU 64 N 0.41 0.75 -0.98 2.94 4.07 -1.10 -1.89 115.31 119.51 1zrr h LEU 64 Ca -0.11 -0.13 -0.10 0.00 0.08 0.00 0.00 57.88 57.62 1zrr h LEU 64 Cb 1.62 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1zrr h LEU 64 CO 0.19 0.74 -0.49 0.58 -1.08 0.00 0.00 178.44 178.38 1zrr h VAL 65 N 0.77 1.31 0.07 1.22 2.07 -1.35 0.01 116.25 120.34 1zrr h VAL 65 Ca 0.17 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1zrr h VAL 65 Cb 0.30 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1zrr h VAL 65 CO -0.00 0.48 -0.23 0.00 0.02 0.00 0.00 177.57 177.84 1zrr h ALA 66 N 1.51 -0.36 0.00 1.67 0.00 -0.95 1.40 119.26 122.53 1zrr h ALA 66 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1zrr h ALA 66 Cb 0.90 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1zrr h ALA 66 CO 0.06 -0.75 -0.33 1.49 0.00 0.00 0.00 179.25 179.72 1zrr h GLU 67 N -0.40 0.00 -0.49 0.00 4.81 -1.55 -3.33 114.58 113.62 1zrr h GLU 67 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1zrr h GLU 67 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1zrr h GLU 67 CO -0.16 0.96 0.00 1.63 -0.73 0.00 0.00 179.01 180.71 1zrr n LYS 68 N -4.57 1.82 0.00 1.92 5.02 -0.02 -4.93 118.16 117.40 1zrr n LYS 68 Ca -0.15 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 1zrr n LYS 68 Cb 0.52 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 69 N 0.60 0.00 3.85 0.72 0.00 0.48 -4.80 105.19 106.03 1zrr n GLY 69 Ca 0.08 0.00 -0.31 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 3.24 0.00 1.61 2.02 -1.26 -5.01 117.35 117.95 1zrr s TYR 70 Ca 0.00 1.22 0.00 0.00 -0.37 0.00 0.00 57.07 57.92 1zrr s TYR 70 Cb 0.00 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.62 1zrr s TYR 70 CO 0.00 -1.20 0.41 1.04 -1.57 0.00 0.00 175.55 174.24 1zrr n GLN 71 N -3.06 0.00 -4.04 -0.62 6.02 -1.26 -4.80 117.38 109.62 1zrr n GLN 71 Ca 0.07 0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 1zrr n GLN 71 Cb 0.55 -0.91 -0.04 0.00 1.02 0.00 0.00 30.24 30.86 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1zrr s SER 72 N -2.07 5.87 0.00 1.08 0.01 -1.19 -5.01 113.70 112.39 1zrr s SER 72 Ca 0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.19 1zrr s SER 72 Cb 0.00 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.60 1zrr s SER 72 CO 0.00 0.00 0.03 0.86 0.41 0.00 0.00 173.24 174.54 1zrr s TRP 73 N -1.91 0.11 0.00 2.43 -0.11 -1.26 -0.81 118.94 117.39 1zrr s TRP 73 Ca 0.33 -0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.42 1zrr s TRP 73 Cb -0.09 -0.09 0.00 0.00 -1.50 0.00 0.00 33.47 31.78 1zrr s TRP 73 CO 0.26 -0.15 0.00 -3.47 -4.62 0.00 0.00 176.95 168.97 1zrr n ASP 74 N 2.09 0.00 -4.50 5.86 4.64 -1.07 -4.85 116.55 118.72 1zrr n ASP 74 Ca -0.20 -0.52 -0.24 0.00 -1.38 0.00 0.00 54.79 52.45 1zrr n ASP 74 Cb 0.57 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.54 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 -2.13 1.94 -0.03 5.18 -7.23 -1.26 -1.71 120.40 115.17 1zrr s VAL 75 Ca 0.00 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.90 1zrr s VAL 75 Cb 0.00 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1zrr s VAL 75 CO 0.00 -0.21 0.32 0.27 -0.31 0.00 0.00 175.10 175.17 1zrr s ILE 76 N -2.81 5.18 0.44 -0.62 -4.36 -0.52 -4.82 121.20 113.71 1zrr s ILE 76 Ca 0.32 0.59 -0.01 0.00 -0.26 0.00 0.00 60.65 61.29 1zrr s ILE 76 Cb 0.04 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 1zrr s ILE 76 CO 0.15 0.55 0.68 -0.94 0.24 0.00 0.00 174.94 175.63 1zrr s SER 77 N -1.16 6.02 -0.29 4.36 1.04 -1.26 -3.57 113.70 118.85 1zrr s SER 77 Ca 0.22 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.07 1zrr s SER 77 Cb -0.15 -1.83 0.13 0.00 0.10 0.00 0.00 66.02 64.28 1zrr s SER 77 CO 0.11 -0.60 0.61 -0.22 0.98 0.00 0.00 173.24 174.12 1zrr s LEU 78 N -4.57 -1.11 -0.01 2.42 1.98 -1.25 -4.96 118.68 111.18 1zrr s LEU 78 Ca 0.46 1.39 0.03 0.00 -2.89 0.00 0.00 54.13 53.12 1zrr s LEU 78 Cb -0.10 2.15 -0.01 0.00 0.66 0.00 0.00 46.19 48.89 1zrr s LEU 78 CO 0.39 -0.23 -0.11 -0.60 -1.89 0.00 0.00 176.35 173.92 1zrr s ARG 79 N 2.85 0.89 0.50 1.98 6.06 -1.26 -4.02 118.95 125.95 1zrr s ARG 79 Ca -0.02 -0.38 0.33 0.00 -2.50 0.00 0.00 55.73 53.17 1zrr s ARG 79 Cb -0.12 -0.86 1.54 0.00 0.06 0.00 0.00 34.95 35.57 1zrr s ARG 79 CO -0.18 0.22 1.99 0.00 -2.50 0.00 0.00 175.30 174.83 1zrr h ALA 80 N 5.93 1.00 -0.79 6.12 0.00 -1.81 -1.96 119.26 127.74 1zrr h ALA 80 Ca -0.32 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.15 1zrr h ALA 80 Cb 1.17 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 1zrr h ALA 80 CO 0.49 0.00 0.40 -0.25 0.00 0.00 0.00 179.25 179.89 1zrr n ASP 81 N -2.82 3.94 -4.67 0.00 8.00 -1.26 -4.97 116.55 114.77 1zrr n ASP 81 Ca -0.00 -3.70 -0.39 0.00 0.71 0.00 0.00 54.79 51.41 1zrr n ASP 81 Cb 0.20 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 1zrr n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1zrr s ASN 82 N -1.85 6.54 0.00 -2.24 6.03 -0.74 -4.95 114.94 117.73 1zrr s ASN 82 Ca 0.54 0.64 0.27 0.00 -1.03 0.00 0.00 52.86 53.28 1zrr s ASN 82 Cb 0.46 -2.27 1.27 0.00 -3.03 0.00 0.00 41.25 37.68 1zrr s ASN 82 CO 0.06 -0.12 1.90 -0.81 -2.03 0.00 0.00 177.10 176.10 1zrr n PRO 83 N 4.52 0.22 -0.02 3.55 -0.04 -1.26 -3.17 135.00 138.80 1zrr n PRO 83 Ca -0.06 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1zrr n PRO 83 Cb 0.51 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.93 1zrr n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zrr n GLN 84 N -1.38 1.74 0.06 0.54 10.64 -1.26 -4.19 117.38 123.53 1zrr n GLN 84 Ca 0.10 -1.08 -0.12 0.00 -1.83 0.00 0.00 57.00 54.07 1zrr n GLN 84 Cb 0.26 -1.46 -0.06 0.00 -0.86 0.00 0.00 30.24 28.12 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1zrr h LYS 85 N 2.53 -0.15 0.58 2.61 2.10 -1.94 0.80 116.57 123.10 1zrr h LYS 85 Ca 0.00 0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 1zrr h LYS 85 Cb 0.54 0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1zrr h LYS 85 CO 0.00 -0.10 -0.28 1.49 -2.00 0.00 0.00 179.45 178.56 1zrr h GLU 86 N -0.16 -0.75 -0.64 0.07 4.57 -1.86 0.16 114.58 115.98 1zrr h GLU 86 Ca 0.03 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1zrr h GLU 86 Cb 0.19 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.89 1zrr h GLU 86 CO -0.07 -0.45 0.32 0.00 -1.18 0.00 0.00 179.01 177.63 1zrr h ALA 87 N -0.58 0.85 -0.71 2.92 0.00 -1.75 -0.67 119.26 119.32 1zrr h ALA 87 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1zrr h ALA 87 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1zrr h ALA 87 CO 0.13 -0.04 0.40 1.25 0.00 0.00 0.00 179.25 181.00 1zrr h LEU 88 N 0.59 0.88 -0.90 0.00 5.85 0.77 -2.01 115.31 120.49 1zrr h LEU 88 Ca 0.30 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1zrr h LEU 88 Cb 0.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1zrr h LEU 88 CO -0.22 0.71 0.55 0.03 -0.34 0.00 0.00 178.44 179.18 1zrr h ARG 89 N 0.98 1.21 0.56 1.25 3.08 0.66 -1.76 114.38 120.37 1zrr h ARG 89 Ca 0.25 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1zrr h ARG 89 Cb 0.02 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 29.82 1zrr h ARG 89 CO -0.04 0.84 -0.27 1.49 -1.07 0.00 0.00 179.97 180.92 1zrr h GLU 90 N 1.23 -0.73 -0.81 0.04 4.81 -0.73 0.49 114.58 118.87 1zrr h GLU 90 Ca 0.32 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.77 1zrr h GLU 90 Cb -0.06 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1zrr h GLU 90 CO -0.06 -0.43 0.54 0.87 -0.73 0.00 0.00 179.01 179.20 1zrr h LYS 91 N -1.09 0.39 0.00 1.92 1.57 -1.35 0.21 116.57 118.22 1zrr h LYS 91 Ca -0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1zrr h LYS 91 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1zrr h LYS 91 CO 0.13 0.26 -0.72 0.74 -0.57 0.00 0.00 179.45 179.29 1zrr h PHE 92 N 0.40 0.00 -0.76 -1.35 -1.00 -1.23 -3.34 116.94 109.66 1zrr h PHE 92 Ca 0.41 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1zrr h PHE 92 Cb 0.99 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.51 1zrr h PHE 92 CO -0.00 0.00 0.42 1.25 -1.61 0.00 0.00 178.31 178.37 1zrr h LEU 93 N 0.00 0.94 -9.51 1.54 5.85 0.33 -3.00 115.31 111.46 1zrr h LEU 93 Ca 0.00 -0.07 -0.59 0.00 0.84 0.00 0.00 57.88 58.06 1zrr h LEU 93 Cb 0.88 -0.24 0.06 0.00 0.37 0.00 0.00 40.66 41.74 1zrr h LEU 93 CO 0.00 0.75 0.74 -0.46 -0.34 0.00 0.00 178.44 179.13 1zrr n ASN 94 N -4.36 2.93 -4.74 1.25 6.94 -1.19 -4.50 115.26 111.59 1zrr n ASN 94 Ca 0.08 1.10 -0.30 0.00 -0.02 0.00 0.00 54.58 55.44 1zrr n ASN 94 Cb 0.10 -1.41 0.13 0.00 -2.36 0.00 0.00 39.78 36.23 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 0.57 1.43 0.00 -3.83 4.04 -1.26 -4.77 118.70 114.89 1zrr s GLU 95 Ca 0.77 0.72 0.00 0.00 0.04 0.00 0.00 54.97 56.49 1zrr s GLU 95 Cb -0.69 -1.84 0.00 0.00 0.02 0.00 0.00 34.13 31.63 1zrr s GLU 95 CO 0.41 -2.09 0.00 -2.39 -1.84 0.00 0.00 175.26 169.35 1zrr n HIS 96 N -3.77 -0.13 -3.64 4.83 1.44 -0.97 -4.61 115.22 108.37 1zrr n HIS 96 Ca 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.69 1zrr n HIS 96 Cb 0.56 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 1zrr n HIS 96 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1zrr s THR 97 N -2.24 0.00 0.17 0.61 -4.23 -1.25 -2.64 115.64 106.06 1zrr s THR 97 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1zrr s THR 97 CO 0.00 0.00 0.07 -1.00 -0.54 0.00 0.00 174.62 173.15 1zrr s HIS 98 N 0.83 2.99 -1.30 3.99 0.09 -1.26 -3.29 115.29 117.34 1zrr s HIS 98 Ca -0.03 -0.08 0.25 0.00 -0.00 0.00 0.00 55.06 55.19 1zrr s HIS 98 Cb -0.05 -1.44 1.19 0.00 -0.00 0.00 0.00 32.58 32.29 1zrr s HIS 98 CO -0.09 0.52 1.82 0.41 -0.00 0.00 0.00 174.74 177.40 1zrr n GLY 99 N -0.26 -1.17 3.48 -2.22 0.00 -1.26 -1.90 105.19 101.86 1zrr n GLY 99 Ca -0.09 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1zrr n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zrr s GLU 100 N -2.70 1.70 0.36 1.61 2.12 -1.26 -4.78 118.70 115.75 1zrr s GLU 100 Ca 0.20 -1.94 -0.26 0.00 0.36 0.00 0.00 54.97 53.34 1zrr s GLU 100 Cb 0.16 -1.08 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 1zrr s GLU 100 CO 0.40 -0.12 1.08 -0.51 -0.54 0.00 0.00 175.26 175.56 1zrr s ASP 101 N -3.53 6.88 -0.77 -1.70 -0.00 -1.26 -4.00 116.67 112.29 1zrr s ASP 101 Ca 0.35 2.14 -0.14 0.00 -0.00 0.00 0.00 52.55 54.90 1zrr s ASP 101 Cb 0.08 -2.60 0.20 0.00 -0.00 0.00 0.00 42.92 40.60 1zrr s ASP 101 CO 0.15 -0.41 0.70 -1.61 -0.00 0.00 0.00 175.17 174.01 1zrr s GLU 102 N -2.17 3.44 -0.02 8.23 2.02 -0.98 -4.93 118.70 124.28 1zrr s GLU 102 Ca 0.54 -2.35 -0.25 0.00 0.02 0.00 0.00 54.97 52.92 1zrr s GLU 102 Cb -0.26 -4.36 -0.04 0.00 0.10 0.00 0.00 34.13 29.57 1zrr s GLU 102 CO 0.33 -1.29 0.78 0.14 0.02 0.00 0.00 175.26 175.24 1zrr s VAL 103 N 0.37 4.92 -0.18 2.63 -7.23 -1.26 -3.01 120.40 116.63 1zrr s VAL 103 Ca 0.16 1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 61.95 1zrr s VAL 103 Cb -0.14 -4.12 0.05 0.00 0.56 0.00 0.00 36.38 32.73 1zrr s VAL 103 CO -0.07 0.26 -0.02 0.00 -0.31 0.00 0.00 175.10 174.97 1zrr s ARG 104 N 0.60 1.16 -0.15 4.82 1.70 -1.19 -4.69 118.95 121.20 1zrr s ARG 104 Ca 0.41 -0.54 -0.07 0.00 -0.47 0.00 0.00 55.73 55.05 1zrr s ARG 104 Cb -0.19 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.05 1zrr s ARG 104 CO 0.22 -0.53 0.11 0.12 -1.08 0.00 0.00 175.30 174.14 1zrr s PHE 105 N 1.68 3.45 -0.07 5.89 2.19 -1.17 -3.09 117.98 126.86 1zrr s PHE 105 Ca -0.01 0.38 -0.17 0.00 0.33 0.00 0.00 56.93 57.46 1zrr s PHE 105 Cb -0.16 -2.00 -0.05 0.00 -1.31 0.00 0.00 43.02 39.49 1zrr s PHE 105 CO -0.07 0.51 0.46 -0.06 1.83 0.00 0.00 175.22 177.88 1zrr s PHE 106 N -0.44 3.60 -0.09 10.12 0.40 -1.26 -0.65 117.98 129.66 1zrr s PHE 106 Ca 0.11 0.94 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 1zrr s PHE 106 Cb -0.12 -2.47 -0.08 0.00 0.51 0.00 0.00 43.02 40.87 1zrr s PHE 106 CO 0.02 0.34 -0.05 0.28 0.70 0.00 0.00 175.22 176.51 1zrr n VAL 107 N 2.98 0.56 -3.65 -0.44 0.31 -0.96 -4.58 118.33 112.55 1zrr n VAL 107 Ca -0.09 -0.26 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1zrr n VAL 107 Cb 0.52 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.54 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 -2.20 0.77 0.01 5.55 2.56 -1.08 -4.96 118.70 119.37 1zrr s GLU 108 Ca -0.10 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.46 1zrr s GLU 108 Cb 0.03 0.37 0.00 0.00 2.00 0.00 0.00 34.13 36.53 1zrr s GLU 108 CO 0.26 -0.15 0.00 0.41 -0.56 0.00 0.00 175.26 175.22 1zrr n GLY 109 N 2.20 -1.92 0.06 -1.50 0.00 -1.26 0.96 105.19 103.73 1zrr n GLY 109 Ca -0.16 -1.49 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr n ALA 110 N -2.43 0.01 -2.68 4.61 0.00 -1.26 -4.75 120.51 114.01 1zrr n ALA 110 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1zrr n ALA 110 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1zrr n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrr n GLY 111 N 4.91 1.28 3.13 0.00 0.00 -1.26 -4.81 105.19 108.44 1zrr n GLY 111 Ca -0.00 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 2.07 -0.42 0.99 2.96 -1.26 -4.70 118.68 118.31 1zrr s LEU 112 Ca 0.00 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1zrr s LEU 112 Cb 0.00 0.52 0.15 0.00 0.50 0.00 0.00 46.19 47.36 1zrr s LEU 112 CO 0.00 -0.64 0.27 -0.36 -1.32 0.00 0.00 176.35 174.30 1zrr s PHE 113 N -3.82 1.44 -0.23 5.38 0.08 -1.10 -4.98 117.98 114.75 1zrr s PHE 113 Ca 0.05 -2.18 -0.28 0.00 0.12 0.00 0.00 56.93 54.64 1zrr s PHE 113 Cb 0.06 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1zrr s PHE 113 CO -0.10 -0.79 1.00 0.00 -0.10 0.00 0.00 175.22 175.23 1zrr s LEU 115 N 3.08 1.12 -0.30 0.00 1.43 -0.31 -4.31 118.68 119.40 1zrr s LEU 115 Ca 0.42 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1zrr s LEU 115 Cb -0.15 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.48 1zrr s LEU 115 CO 0.07 -0.10 0.08 -2.28 0.23 0.00 0.00 176.35 174.35 1zrr s HIS 116 N 1.40 3.15 -0.16 0.29 2.46 -0.88 -0.68 115.29 120.86 1zrr s HIS 116 Ca -0.03 -1.00 -0.00 0.00 0.47 0.00 0.00 55.06 54.51 1zrr s HIS 116 Cb -0.13 -2.26 0.04 0.00 -0.13 0.00 0.00 32.58 30.09 1zrr s HIS 116 CO -0.03 -0.58 -0.08 0.42 -2.47 0.00 0.00 174.74 172.00 1zrr s ILE 117 N 1.50 1.24 0.00 0.89 1.01 -1.22 -3.28 121.20 121.34 1zrr s ILE 117 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1zrr s ILE 117 Cb -0.17 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1zrr s ILE 117 CO 0.03 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1zrr n GLY 118 N 4.84 0.84 3.18 6.18 0.00 -1.26 -3.74 105.19 115.24 1zrr n GLY 118 Ca -0.13 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 1.80 4.92 -3.73 1.61 8.00 -1.26 -4.96 116.55 122.92 1zrr n ASP 119 Ca 0.00 -3.12 -0.04 0.00 0.71 0.00 0.00 54.79 52.34 1zrr n ASP 119 Cb 0.00 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1zrr s GLU 120 N -1.47 1.20 -0.00 -1.24 2.12 -1.25 -4.44 118.70 113.62 1zrr s GLU 120 Ca 0.30 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 55.04 1zrr s GLU 120 Cb -0.07 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 1zrr s GLU 120 CO -0.09 -0.55 -0.18 0.08 -0.54 0.00 0.00 175.26 173.99 1zrr s VAL 121 N -3.32 1.41 -0.10 3.70 1.01 0.05 -3.37 120.40 119.79 1zrr s VAL 121 Ca 0.11 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1zrr s VAL 121 Cb -0.02 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1zrr s VAL 121 CO 0.01 0.35 -0.23 -0.36 0.00 0.00 0.00 175.10 174.87 1zrr s PHE 122 N -0.49 2.49 -0.18 5.22 0.08 0.14 -2.19 117.98 123.05 1zrr s PHE 122 Ca 0.07 -1.00 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 1zrr s PHE 122 Cb -0.07 -1.67 0.05 0.00 -0.57 0.00 0.00 43.02 40.76 1zrr s PHE 122 CO -0.00 -0.40 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.06 1zrr s GLN 123 N 0.32 1.10 -0.12 0.44 -0.21 0.11 -1.16 119.66 120.14 1zrr s GLN 123 Ca -0.18 -0.52 -0.06 0.00 0.02 0.00 0.00 55.36 54.63 1zrr s GLN 123 Cb -0.18 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 1zrr s GLN 123 CO 0.08 -0.54 0.08 0.08 -2.12 0.00 0.00 175.29 172.88 1zrr s VAL 124 N 1.70 5.01 -0.35 1.09 1.01 -1.17 0.38 120.40 128.06 1zrr s VAL 124 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1zrr s VAL 124 Cb -0.16 -3.18 0.13 0.00 0.00 0.00 0.00 36.38 33.16 1zrr s VAL 124 CO -0.07 0.58 0.19 -0.76 0.00 0.00 0.00 175.10 175.03 1zrr s LEU 125 N -0.68 1.46 -0.28 3.92 1.02 -1.13 -2.73 118.68 120.26 1zrr s LEU 125 Ca 0.12 -2.05 -0.24 0.00 0.02 0.00 0.00 54.13 51.98 1zrr s LEU 125 Cb -0.12 -0.60 0.11 0.00 0.02 0.00 0.00 46.19 45.61 1zrr s LEU 125 CO 0.02 -0.34 0.94 0.00 0.02 0.00 0.00 176.35 177.00 1zrr s GLU 127 N 0.45 2.89 0.12 0.00 -1.05 -1.26 -4.84 118.70 115.01 1zrr s GLU 127 Ca 0.01 -2.18 0.09 0.00 -0.15 0.00 0.00 54.97 52.73 1zrr s GLU 127 Cb -0.05 -4.06 -0.04 0.00 -0.44 0.00 0.00 34.13 29.54 1zrr s GLU 127 CO -0.06 -1.23 -0.18 0.15 0.95 0.00 0.00 175.26 174.89 1zrr s LYS 128 N 0.63 1.80 0.00 -4.83 1.02 -1.26 -4.96 119.74 112.13 1zrr s LYS 128 Ca 0.12 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1zrr s LYS 128 Cb -0.20 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1zrr s LYS 128 CO -0.04 0.48 0.59 0.09 -0.92 0.00 0.00 175.35 175.55 1zrr n ASN 129 N 0.73 0.00 -4.77 2.83 5.03 -1.26 -4.60 115.26 113.22 1zrr n ASN 129 Ca -0.15 0.10 -0.37 0.00 0.87 0.00 0.00 54.58 55.02 1zrr n ASN 129 Cb 0.53 -0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 -2.18 6.08 -0.09 6.41 3.84 -1.26 -4.19 116.67 125.28 1zrr s ASP 130 Ca 0.00 2.38 -0.03 0.00 -0.00 0.00 0.00 52.55 54.90 1zrr s ASP 130 Cb 0.00 -2.61 -0.03 0.00 -1.38 0.00 0.00 42.92 38.90 1zrr s ASP 130 CO 0.00 -0.99 0.04 -0.22 -0.00 0.00 0.00 175.17 174.00 1zrr s LEU 131 N -3.04 3.79 -0.12 2.11 2.96 -1.19 -4.18 118.68 119.01 1zrr s LEU 131 Ca 0.64 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 1zrr s LEU 131 Cb -0.31 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1zrr s LEU 131 CO 0.37 0.38 -0.09 -0.51 -1.32 0.00 0.00 176.35 175.18 1zrr s ILE 132 N -0.93 1.11 0.02 6.68 2.07 -1.18 -3.15 121.20 125.81 1zrr s ILE 132 Ca 0.14 -0.35 0.08 0.00 -1.41 0.00 0.00 60.65 59.11 1zrr s ILE 132 Cb -0.12 -1.10 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 1zrr s ILE 132 CO 0.03 0.38 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.66 1zrr s SER 133 N 1.62 3.36 0.05 4.50 0.15 -1.24 -3.14 113.70 118.99 1zrr s SER 133 Ca 0.04 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 1zrr s SER 133 Cb -0.13 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1zrr s SER 133 CO -0.08 0.28 0.23 0.68 1.20 0.00 0.00 173.24 175.55 1zrr s VAL 134 N -0.77 5.36 0.66 4.45 -7.23 -1.16 -1.37 120.40 120.34 1zrr s VAL 134 Ca 0.12 -0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 59.90 1zrr s VAL 134 Cb -0.10 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1zrr s VAL 134 CO 0.02 0.19 1.15 -2.16 -0.31 0.00 0.00 175.10 173.99 1zrr s PRO 135 N -2.32 2.68 0.20 4.82 0.04 -1.26 -2.32 135.00 136.84 1zrr s PRO 135 Ca 0.33 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1zrr s PRO 135 Cb -0.13 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1zrr s PRO 135 CO 0.24 -1.38 1.12 0.00 0.04 0.00 0.00 177.00 177.02 1zrr s ALA 136 N -2.06 3.39 0.00 8.56 0.00 -1.26 -3.13 121.76 127.26 1zrr s ALA 136 Ca 0.71 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1zrr s ALA 136 Cb -0.25 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1zrr s ALA 136 CO 0.40 -0.22 0.00 1.58 0.00 0.00 0.00 175.76 177.51 1zrr n HIS 137 N 2.12 0.00 -4.08 0.00 -0.00 -0.80 -4.93 115.22 107.54 1zrr n HIS 137 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.39 1zrr n HIS 137 Cb 0.46 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.99 30.32 1zrr n HIS 137 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1zrr s THR 138 N -2.00 4.32 0.27 3.57 -1.32 -1.18 -5.01 115.64 114.27 1zrr s THR 138 Ca 0.00 -0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 1zrr s THR 138 Cb 0.00 -2.95 -0.11 0.00 -1.51 0.00 0.00 72.50 67.93 1zrr s THR 138 CO 0.00 0.44 1.56 -2.16 -2.21 0.00 0.00 174.62 172.25 1zrr s PRO 139 N 0.71 4.17 -0.07 7.08 0.04 -1.21 -4.67 135.00 141.05 1zrr s PRO 139 Ca 0.01 2.49 -0.31 0.00 0.04 0.00 0.00 61.00 63.22 1zrr s PRO 139 Cb -0.14 -3.06 0.12 0.00 0.04 0.00 0.00 34.50 31.46 1zrr s PRO 139 CO 0.02 -0.58 1.09 -3.38 0.04 0.00 0.00 177.00 174.19 1zrr s HIS 140 N 0.16 -0.19 0.00 0.56 -3.43 -1.08 -2.08 115.29 109.22 1zrr s HIS 140 Ca 0.63 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 1zrr s HIS 140 Cb -0.46 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 1zrr s HIS 140 CO 0.44 -0.38 0.00 -2.67 -2.00 0.00 0.00 174.74 170.13 1zrr n TRP 141 N -0.23 0.00 -3.52 0.38 2.14 -1.26 -2.30 117.44 112.65 1zrr n TRP 141 Ca -0.04 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.54 1zrr n TRP 141 Cb 0.60 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 1.47 -0.29 -0.10 -2.67 2.19 -1.13 -4.84 117.98 112.61 1zrr s PHE 142 Ca 0.00 0.55 -0.08 0.00 0.33 0.00 0.00 56.93 57.73 1zrr s PHE 142 Cb 0.00 0.17 0.03 0.00 -1.31 0.00 0.00 43.02 41.91 1zrr s PHE 142 CO 0.00 -0.14 0.25 0.16 1.83 0.00 0.00 175.22 177.32 1zrr s ASP 143 N 1.52 -0.26 -0.19 6.13 3.84 -1.26 -3.62 116.67 122.83 1zrr s ASP 143 Ca -0.06 0.51 0.16 0.00 -0.00 0.00 0.00 52.55 53.16 1zrr s ASP 143 Cb -0.03 0.49 0.63 0.00 -1.38 0.00 0.00 42.92 42.63 1zrr s ASP 143 CO -0.13 -0.10 1.53 0.23 -0.00 0.00 0.00 175.17 176.70 1zrr n MET 144 N 3.20 3.61 0.00 2.11 2.81 -1.26 -4.83 117.12 122.75 1zrr n MET 144 Ca -0.15 -2.93 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 1zrr n MET 144 Cb 0.57 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.04 0.00 3.65 3.03 0.00 -1.26 -2.93 105.19 107.64 1zrr n GLY 145 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 6.83 -0.27 1.61 0.01 -1.25 -4.86 113.70 115.78 1zrr s SER 146 Ca 0.00 1.03 -0.09 0.00 1.31 0.00 0.00 55.95 58.20 1zrr s SER 146 Cb 0.00 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1zrr s SER 146 CO 0.00 -0.45 0.13 -1.61 0.41 0.00 0.00 173.24 171.72 1zrr s GLU 147 N 2.54 3.76 0.00 12.44 2.02 -1.15 -4.94 118.70 133.37 1zrr s GLU 147 Ca 0.35 -0.43 0.19 0.00 0.02 0.00 0.00 54.97 55.10 1zrr s GLU 147 Cb -0.16 -3.49 0.18 0.00 0.10 0.00 0.00 34.13 30.76 1zrr s GLU 147 CO 0.09 -0.20 1.13 -0.35 0.02 0.00 0.00 175.26 175.95 1zrr n PRO 148 N 4.99 1.73 -1.21 0.39 -0.04 -1.26 -4.50 135.00 135.10 1zrr n PRO 148 Ca -0.15 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1zrr n PRO 148 Cb 0.51 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1zrr n PRO 148 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1zrr n ASN 149 N 1.08 -1.61 -5.02 3.54 6.94 -1.26 -4.60 115.26 114.32 1zrr n ASN 149 Ca 0.12 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.48 1zrr n ASN 149 Cb 0.48 -0.54 0.05 0.00 -2.36 0.00 0.00 39.78 37.42 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1zrr s PHE 150 N -2.81 1.44 -0.01 -2.53 -0.71 -1.26 -4.79 117.98 107.32 1zrr s PHE 150 Ca 0.00 -0.73 0.03 0.00 -1.04 0.00 0.00 56.93 55.18 1zrr s PHE 150 Cb 0.00 -2.18 -0.00 0.00 -1.21 0.00 0.00 43.02 39.62 1zrr s PHE 150 CO 0.00 -1.09 -0.08 0.99 -1.34 0.00 0.00 175.22 173.70 1zrr s THR 151 N -2.67 0.67 0.08 -4.49 2.01 0.27 -3.75 115.64 107.76 1zrr s THR 151 Ca 0.59 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 1zrr s THR 151 Cb -0.05 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1zrr s THR 151 CO 0.37 0.19 0.04 0.00 -0.69 0.00 0.00 174.62 174.53 1zrr s ALA 152 N -0.13 0.49 -0.18 7.40 0.00 -1.23 -2.26 121.76 125.85 1zrr s ALA 152 Ca 0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 1zrr s ALA 152 Cb -0.04 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1zrr s ALA 152 CO -0.00 -0.43 -0.01 0.42 0.00 0.00 0.00 175.76 175.73 1zrr s ILE 153 N -3.95 4.00 0.17 0.00 1.01 0.18 -1.43 121.20 121.17 1zrr s ILE 153 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1zrr s ILE 153 Cb 0.07 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1zrr s ILE 153 CO -0.06 0.46 0.08 -0.13 0.00 0.00 0.00 174.94 175.28 1zrr s ARG 154 N 0.64 1.07 0.02 2.79 0.52 -0.69 -3.06 118.95 120.24 1zrr s ARG 154 Ca -0.01 -1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 53.66 1zrr s ARG 154 Cb -0.14 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 1zrr s ARG 154 CO 0.02 -0.29 0.15 0.42 0.02 0.00 0.00 175.30 175.62 1zrr s ILE 155 N -4.01 5.14 -0.30 1.52 1.01 -1.26 -2.61 121.20 120.69 1zrr s ILE 155 Ca 0.30 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 1zrr s ILE 155 Cb 0.07 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1zrr s ILE 155 CO 0.06 0.27 0.36 -0.36 0.00 0.00 0.00 174.94 175.27 1zrr s PHE 156 N -1.34 3.23 0.12 3.97 2.99 0.01 -4.90 117.98 122.06 1zrr s PHE 156 Ca 0.28 0.24 0.01 0.00 0.00 0.00 0.00 56.93 57.46 1zrr s PHE 156 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 43.02 40.25 1zrr s PHE 156 CO 0.20 -0.30 -0.03 0.16 -0.00 0.00 0.00 175.22 175.25 1zrr s ASP 157 N 1.69 1.05 0.35 1.36 1.47 -1.26 -3.19 116.67 118.13 1zrr s ASP 157 Ca 0.13 -1.07 0.02 0.00 1.18 0.00 0.00 52.55 52.81 1zrr s ASP 157 Cb -0.16 0.13 -0.02 0.00 -0.34 0.00 0.00 42.92 42.52 1zrr s ASP 157 CO 0.11 -0.53 0.53 0.54 0.68 0.00 0.00 175.17 176.50 1zrr s ASN 158 N -3.07 6.18 0.02 2.11 4.22 -1.26 -5.03 114.94 118.10 1zrr s ASN 158 Ca 0.16 0.29 -0.26 0.00 -2.14 0.00 0.00 52.86 50.91 1zrr s ASN 158 Cb 0.06 -1.82 -0.17 0.00 1.28 0.00 0.00 41.25 40.60 1zrr s ASN 158 CO -0.02 -0.35 1.34 1.55 -2.04 0.00 0.00 177.10 177.58 1zrr h PRO 159 N 0.77 -0.37 0.00 3.55 0.13 -2.02 -2.77 132.00 131.29 1zrr h PRO 159 Ca -0.49 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1zrr h PRO 159 Cb 1.23 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1zrr h PRO 159 CO 0.60 -0.08 0.67 1.49 -0.23 0.00 0.00 178.00 180.45 1zrr h GLU 160 N -0.67 0.00 0.00 0.86 4.57 -2.01 3.62 114.58 120.96 1zrr h GLU 160 Ca -0.04 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1zrr h GLU 160 Cb 0.47 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1zrr h GLU 160 CO 0.06 0.00 -0.85 0.78 -1.18 0.00 0.00 179.01 177.82 1zrr h GLY 161 N 0.00 0.00 -2.03 1.92 0.00 -1.90 -3.46 103.07 97.59 1zrr h GLY 161 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1zrr h GLY 161 CO 0.00 0.00 -0.61 -0.98 0.00 0.00 0.00 176.54 174.95 1zrr s TRP 162 N -3.10 2.54 0.13 5.60 0.52 1.20 -4.58 118.94 121.25 1zrr s TRP 162 Ca 0.01 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 55.68 1zrr s TRP 162 Cb 0.08 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1zrr s TRP 162 CO 0.77 0.45 0.20 0.96 0.02 0.00 0.00 176.95 179.34 1zrr s ILE 163 N -2.55 4.98 0.00 2.03 -4.36 -1.21 -4.89 121.20 115.20 1zrr s ILE 163 Ca 0.35 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1zrr s ILE 163 Cb 0.02 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1zrr s ILE 163 CO 0.19 -0.02 0.08 0.00 0.24 0.00 0.00 174.94 175.44 1zrr n ALA 164 N -0.17 -0.03 -2.25 2.27 0.00 -1.26 -3.96 120.51 115.10 1zrr n ALA 164 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1zrr n ALA 164 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.80 0.62 -0.25 0.00 -0.21 -1.26 -3.81 119.66 113.95 1zrr s GLN 165 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1zrr s GLN 165 Cb 0.00 0.22 -0.15 0.00 1.00 0.00 0.00 33.01 34.08 1zrr s GLN 165 CO 0.00 -0.13 -0.23 0.34 -2.12 0.00 0.00 175.29 173.15 1zrr n PHE 166 N 0.23 0.00 -0.09 0.91 -0.00 -1.26 -4.65 117.46 112.59 1zrr n PHE 166 Ca -0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.20 1zrr n PHE 166 Cb 0.61 -0.94 -0.15 0.00 -0.00 0.00 0.00 39.48 39.00 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1zrr n THR 167 N -3.32 1.29 -0.08 -2.13 -2.24 -1.26 -4.99 114.28 101.55 1zrr n THR 167 Ca -0.44 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 1zrr n THR 167 Cb 0.95 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zrr n GLY 168 N 1.86 0.50 3.80 3.38 0.00 -1.26 -5.06 105.19 108.41 1zrr n GLY 168 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.71 7.04 -0.72 1.61 1.01 -1.26 -5.02 116.67 116.63 1zrr s ASP 169 Ca 0.00 1.78 -0.04 0.00 0.71 0.00 0.00 52.55 55.00 1zrr s ASP 169 Cb 0.00 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.55 1zrr s ASP 169 CO 0.00 -0.28 0.57 1.51 0.21 0.00 0.00 175.17 177.17 1zrr s ASP 170 N -1.92 5.59 0.35 0.27 3.84 -1.26 -4.76 116.67 118.79 1zrr s ASP 170 Ca 0.58 -3.08 0.26 0.00 -0.00 0.00 0.00 52.55 50.31 1zrr s ASP 170 Cb -0.14 -1.91 0.81 0.00 -1.38 0.00 0.00 42.92 40.31 1zrr s ASP 170 CO 0.18 -0.34 1.75 -0.29 -0.00 0.00 0.00 175.17 176.48 1zrr h ILE 171 N 4.89 0.00 -0.82 2.11 2.10 -1.95 -3.13 117.51 120.70 1zrr h ILE 171 Ca 0.05 -0.59 0.01 0.00 1.08 0.00 0.00 64.86 65.41 1zrr h ILE 171 Cb 0.92 1.54 -0.04 0.00 -1.09 0.00 0.00 36.82 38.15 1zrr h ILE 171 CO 0.75 0.00 0.54 0.00 -1.08 0.00 0.00 178.15 178.37 1zrr h ALA 172 N 2.22 1.05 0.00 0.18 0.00 -1.89 -0.72 119.26 120.11 1zrr h ALA 172 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1zrr h ALA 172 Cb 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1zrr h ALA 172 CO 0.00 0.44 0.08 0.45 0.00 0.00 0.00 179.25 180.22 1zrr n SER 173 N -4.52 0.00 0.13 0.00 2.88 -1.18 -1.29 113.62 109.63 1zrr n SER 173 Ca 0.09 0.15 -0.24 0.00 -1.33 0.00 0.00 58.87 57.53 1zrr n SER 173 Cb 0.03 -0.15 -0.15 0.00 -0.75 0.00 0.00 64.21 63.19 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zrr h ALA 174 N 1.27 -0.13 -0.27 -1.46 0.00 -1.35 -3.36 119.26 113.96 1zrr h ALA 174 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 54.91 53.99 1zrr h ALA 174 Cb 0.17 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1zrr h ALA 174 CO 0.00 0.66 -0.06 0.66 0.00 0.00 0.00 179.25 180.51 1zrr n TYR 175 N -3.77 0.88 0.33 0.00 4.01 -0.41 -4.82 117.16 113.37 1zrr n TYR 175 Ca -0.16 -1.30 0.22 0.00 -0.16 0.00 0.00 57.90 56.50 1zrr n TYR 175 Cb 1.06 -0.39 1.16 0.00 -0.31 0.00 0.00 39.34 40.86 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 1.15 0.00 -5.74 -0.72 0.13 -1.69 -3.41 132.00 121.72 1zrr h PRO 176 Ca 0.12 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 176 Cb 1.49 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.54 1zrr h PRO 176 CO 0.28 0.00 0.03 1.03 -0.23 0.00 0.00 178.00 179.11 1zrr s ARG 177 N -4.14 4.29 -0.21 0.86 0.52 -1.26 -4.41 118.95 114.60 1zrr s ARG 177 Ca -0.04 0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 55.54 1zrr s ARG 177 Cb 0.13 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1zrr s ARG 177 CO 0.43 -0.07 0.72 -1.17 0.02 0.00 0.00 175.30 175.23 1zrr s LEU 178 N 1.34 4.13 0.00 2.53 0.20 -1.26 -4.93 118.68 120.68 1zrr s LEU 178 Ca 0.29 0.94 0.00 0.00 0.69 0.00 0.00 54.13 56.05 1zrr s LEU 178 Cb -0.16 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.58 1zrr s LEU 178 CO 0.12 -0.36 0.00 0.00 -0.29 0.00 0.00 176.35 175.81