#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 4.36 -0.29 7.33 0.00 -1.17 -3.07 121.76 128.92 1zrr s ALA 2 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 1zrr s ALA 2 Cb 0.00 -1.73 0.16 0.00 0.00 0.00 0.00 23.12 21.55 1zrr s ALA 2 CO 0.00 -0.53 0.58 -1.17 0.00 0.00 0.00 175.76 174.64 1zrr s LEU 3 N -4.53 -1.22 -0.16 0.00 2.96 -0.86 -3.04 118.68 111.83 1zrr s LEU 3 Ca 0.57 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 55.45 1zrr s LEU 3 Cb -0.09 2.07 -0.03 0.00 0.50 0.00 0.00 46.19 48.64 1zrr s LEU 3 CO 0.36 -0.25 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.23 1zrr s THR 4 N 2.83 4.12 -0.06 3.68 2.01 0.29 -3.35 115.64 125.16 1zrr s THR 4 Ca 0.12 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1zrr s THR 4 Cb -0.14 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.55 1zrr s THR 4 CO -0.20 0.49 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.41 1zrr s ILE 5 N 0.31 1.58 0.28 1.82 1.01 -1.10 0.11 121.20 125.20 1zrr s ILE 5 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1zrr s ILE 5 Cb -0.14 -1.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 1zrr s ILE 5 CO 0.02 0.45 -0.04 -0.36 0.00 0.00 0.00 174.94 175.01 1zrr s PHE 6 N 0.16 1.90 0.70 3.97 0.08 -0.66 -2.66 117.98 121.46 1zrr s PHE 6 Ca -0.08 -0.75 -0.01 0.00 0.12 0.00 0.00 56.93 56.21 1zrr s PHE 6 Cb -0.14 -1.10 0.11 0.00 -0.57 0.00 0.00 43.02 41.32 1zrr s PHE 6 CO 0.04 0.21 0.97 -1.12 -0.10 0.00 0.00 175.22 175.22 1zrr s SER 7 N -3.43 4.49 0.11 1.36 0.01 -1.23 -0.69 113.70 114.32 1zrr s SER 7 Ca 0.30 -0.28 0.16 0.00 1.31 0.00 0.00 55.95 57.44 1zrr s SER 7 Cb 0.05 -0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 1zrr s SER 7 CO 0.12 -1.76 0.96 -0.37 0.41 0.00 0.00 173.24 172.60 1zrr h VAL 8 N -0.46 0.59 -0.16 3.43 -1.51 -1.89 -3.36 116.25 112.89 1zrr h VAL 8 Ca -0.38 -2.06 -0.20 0.00 -1.23 0.00 0.00 66.70 62.83 1zrr h VAL 8 Cb 1.27 2.12 0.01 0.00 -2.13 0.00 0.00 31.29 32.56 1zrr h VAL 8 CO 0.43 0.34 -0.70 0.50 -1.23 0.00 0.00 177.57 176.91 1zrr h LYS 9 N 0.00 0.76 -3.68 5.19 1.63 -1.95 -3.43 116.57 115.09 1zrr h LYS 9 Ca -0.13 -0.60 -0.39 0.00 -0.85 0.00 0.00 60.65 58.68 1zrr h LYS 9 Cb 1.54 0.12 -0.37 0.00 -0.60 0.00 0.00 32.23 32.93 1zrr h LYS 9 CO 0.05 1.21 -0.76 -0.51 -3.45 0.00 0.00 179.45 176.00 1zrr s ASP 10 N -7.01 1.09 0.06 4.20 1.11 -1.26 -5.03 116.67 109.84 1zrr s ASP 10 Ca -0.11 -0.04 0.01 0.00 0.18 0.00 0.00 52.55 52.59 1zrr s ASP 10 Cb 0.08 -0.33 -0.25 0.00 1.07 0.00 0.00 42.92 43.49 1zrr s ASP 10 CO 0.89 -0.16 1.06 1.55 1.18 0.00 0.00 175.17 179.69 1zrr h PRO 11 N 7.90 0.15 0.00 8.23 0.13 -1.85 -3.25 132.00 143.30 1zrr h PRO 11 Ca -0.27 -0.26 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1zrr h PRO 11 Cb 1.13 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1zrr h PRO 11 CO 0.33 1.05 -0.25 0.37 -0.23 0.00 0.00 178.00 179.27 1zrr h GLN 12 N 0.04 0.00 -5.20 0.86 -0.00 -1.95 -3.41 115.11 105.45 1zrr h GLN 12 Ca -0.14 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.89 1zrr h GLN 12 Cb 1.92 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 29.26 1zrr h GLN 12 CO 0.16 0.25 -0.22 -0.80 0.00 0.00 0.00 178.83 178.22 1zrr s ASN 13 N -6.39 6.28 -0.13 -0.69 0.02 -1.25 -5.05 114.94 107.74 1zrr s ASN 13 Ca -0.01 0.33 -0.14 0.00 -1.02 0.00 0.00 52.86 52.01 1zrr s ASN 13 Cb 0.12 -2.22 -0.05 0.00 0.02 0.00 0.00 41.25 39.13 1zrr s ASN 13 CO 0.65 -0.17 0.33 -0.94 0.02 0.00 0.00 177.10 176.98 1zrr s SER 14 N 1.54 6.52 0.00 -1.22 1.04 -1.26 -3.96 113.70 116.36 1zrr s SER 14 Ca 0.16 0.61 0.25 0.00 0.48 0.00 0.00 55.95 57.45 1zrr s SER 14 Cb -0.16 -2.20 0.53 0.00 0.10 0.00 0.00 66.02 64.30 1zrr s SER 14 CO 0.09 0.13 1.43 0.00 0.98 0.00 0.00 173.24 175.88 1zrr n LEU 15 N 3.26 0.63 -3.20 2.42 -0.00 -1.09 -4.74 117.00 114.27 1zrr n LEU 15 Ca -0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1zrr n LEU 15 Cb 0.52 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 1zrr n LEU 15 CO 0.39 0.14 0.08 0.86 -0.00 0.00 0.00 177.39 178.87 1zrr s TRP 16 N -2.90 -1.46 -0.18 1.47 -0.00 -1.23 -5.08 118.94 109.57 1zrr s TRP 16 Ca 0.14 1.27 0.01 0.00 -0.00 0.00 0.00 56.10 57.52 1zrr s TRP 16 Cb 0.18 0.34 0.02 0.00 -0.00 0.00 0.00 33.47 34.01 1zrr s TRP 16 CO 0.67 -0.91 -0.19 -1.58 -0.00 0.00 0.00 176.95 174.94 1zrr s HIS 17 N 2.76 2.68 0.15 5.86 5.65 -1.26 -2.71 115.29 128.42 1zrr s HIS 17 Ca 0.16 -1.59 -0.24 0.00 0.25 0.00 0.00 55.06 53.64 1zrr s HIS 17 Cb -0.14 -1.87 0.07 0.00 -1.18 0.00 0.00 32.58 29.47 1zrr s HIS 17 CO -0.22 -0.79 0.68 -1.12 -0.65 0.00 0.00 174.74 172.64 1zrr s SER 18 N 1.32 -0.48 -0.43 9.88 0.01 -1.21 -5.08 113.70 117.71 1zrr s SER 18 Ca 0.05 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1zrr s SER 18 Cb -0.13 0.58 0.14 0.00 0.21 0.00 0.00 66.02 66.82 1zrr s SER 18 CO -0.12 -0.96 0.25 0.28 0.41 0.00 0.00 173.24 173.09 1zrr s THR 19 N -3.65 1.22 0.01 1.44 -1.32 -1.26 -2.03 115.64 110.05 1zrr s THR 19 Ca 0.04 -2.49 0.06 0.00 -1.21 0.00 0.00 61.69 58.08 1zrr s THR 19 Cb -0.02 -1.85 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 1zrr s THR 19 CO -0.09 -0.93 -0.18 0.20 -2.21 0.00 0.00 174.62 171.41 1zrr s ASN 20 N 0.38 2.16 0.03 8.08 0.01 -1.17 -4.68 114.94 119.74 1zrr s ASN 20 Ca 0.19 -0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 51.85 1zrr s ASN 20 Cb -0.22 -0.21 -0.30 0.00 0.41 0.00 0.00 41.25 40.93 1zrr s ASN 20 CO -0.01 0.17 0.97 0.00 -1.51 0.00 0.00 177.10 176.72 1zrr h ALA 21 N 5.32 0.08 0.00 0.60 0.00 -1.99 -2.97 119.26 120.31 1zrr h ALA 21 Ca -0.39 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.49 1zrr h ALA 21 Cb 1.16 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1zrr h ALA 21 CO 0.46 0.95 -0.34 0.93 0.00 0.00 0.00 179.25 181.26 1zrr h GLU 22 N 0.10 0.00 0.00 0.00 5.08 -1.98 -3.17 114.58 114.60 1zrr h GLU 22 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1zrr h GLU 22 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1zrr h GLU 22 CO 0.21 0.99 0.00 0.93 -1.00 0.00 0.00 179.01 180.13 1zrr h GLU 23 N -1.00 0.00 0.20 2.33 5.08 -1.99 -1.61 114.58 117.59 1zrr h GLU 23 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1zrr h GLU 23 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1zrr h GLU 23 CO -0.06 0.00 -0.10 0.82 -1.00 0.00 0.00 179.01 178.68 1zrr h ILE 24 N 0.00 0.61 -0.94 3.13 2.04 -1.59 -1.37 117.51 119.39 1zrr h ILE 24 Ca 0.00 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1zrr h ILE 24 Cb 0.15 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1zrr h ILE 24 CO 0.00 0.16 0.60 0.06 0.00 0.00 0.00 178.15 178.97 1zrr h GLN 25 N -0.95 1.08 -0.61 2.37 3.07 -1.44 0.96 115.11 119.60 1zrr h GLN 25 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 1zrr h GLN 25 Cb 0.47 -0.24 -0.03 0.00 0.08 0.00 0.00 27.48 27.76 1zrr h GLN 25 CO 0.04 0.71 0.31 1.96 0.09 0.00 0.00 178.83 181.95 1zrr h GLN 26 N 1.11 0.87 -0.11 0.06 4.20 -1.35 0.85 115.11 120.74 1zrr h GLN 26 Ca 0.40 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 1zrr h GLN 26 Cb 0.13 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1zrr h GLN 26 CO -0.16 0.68 -0.35 0.37 -0.67 0.00 0.00 178.83 178.71 1zrr h GLN 27 N 0.84 0.43 0.60 1.46 4.15 -0.08 -0.24 115.11 122.27 1zrr h GLN 27 Ca 0.21 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1zrr h GLN 27 Cb 0.09 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.84 1zrr h GLN 27 CO -0.03 0.94 -0.29 -0.07 -1.93 0.00 0.00 178.83 177.45 1zrr h LEU 28 N 0.01 -0.68 -2.13 -2.39 -0.00 0.12 -2.70 115.31 107.54 1zrr h LEU 28 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1zrr h LEU 28 Cb 0.97 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1zrr h LEU 28 CO 0.07 -0.41 0.00 0.78 -0.00 0.00 0.00 178.44 178.88 1zrr h ASN 29 N -0.96 0.00 0.14 -0.43 4.21 0.67 -0.21 115.58 118.99 1zrr h ASN 29 Ca -0.08 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 1zrr h ASN 29 Cb 0.62 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1zrr h ASN 29 CO 0.14 0.00 -0.11 0.00 -1.29 0.00 0.00 177.43 176.16 1zrr h ALA 30 N 2.02 1.70 -0.37 -0.83 0.00 -0.69 0.21 119.26 121.30 1zrr h ALA 30 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1zrr h ALA 30 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1zrr h ALA 30 CO 0.00 0.14 0.00 0.36 0.00 0.00 0.00 179.25 179.75 1zrr n LYS 31 N -4.24 2.14 -0.33 0.00 -0.00 -0.11 -4.88 118.16 110.74 1zrr n LYS 31 Ca -0.03 -1.74 0.00 0.00 -0.00 0.00 0.00 58.31 56.55 1zrr n LYS 31 Cb 0.19 -1.43 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 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 1.31 1.31 3.88 2.58 0.00 0.06 -5.02 105.19 109.32 1zrr n GLY 32 Ca 0.17 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 5.16 0.43 1.61 1.01 -1.09 -4.54 120.40 120.98 1zrr s VAL 33 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1zrr s VAL 33 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1zrr s VAL 33 CO 0.00 0.26 0.85 -0.60 0.00 0.00 0.00 175.10 175.61 1zrr s ARG 34 N -2.02 3.91 -0.09 2.72 3.52 -1.12 -3.60 118.95 122.27 1zrr s ARG 34 Ca 0.33 0.71 -0.21 0.00 -0.13 0.00 0.00 55.73 56.44 1zrr s ARG 34 Cb -0.13 -2.30 0.05 0.00 -1.56 0.00 0.00 34.95 31.01 1zrr s ARG 34 CO 0.19 -0.08 0.49 0.12 -0.81 0.00 0.00 175.30 175.21 1zrr s PHE 35 N -2.37 -0.45 -0.05 5.12 5.36 -1.26 -3.87 117.98 120.45 1zrr s PHE 35 Ca 0.55 0.90 -0.30 0.00 -0.96 0.00 0.00 56.93 57.13 1zrr s PHE 35 Cb -0.10 0.22 0.10 0.00 -0.34 0.00 0.00 43.02 42.90 1zrr s PHE 35 CO 0.27 -0.41 1.33 -1.83 -1.46 0.00 0.00 175.22 173.12 1zrr s GLU 36 N -0.73 0.23 -0.17 10.12 1.03 -1.25 -4.98 118.70 122.95 1zrr s GLU 36 Ca -0.08 -0.15 -0.06 0.00 0.03 0.00 0.00 54.97 54.71 1zrr s GLU 36 Cb -0.03 0.07 0.08 0.00 -0.80 0.00 0.00 34.13 33.45 1zrr s GLU 36 CO 0.05 -0.11 0.36 -0.98 -1.33 0.00 0.00 175.26 173.24 1zrr s ARG 37 N -2.05 0.26 0.21 -4.83 1.70 -1.26 -3.42 118.95 109.56 1zrr s ARG 37 Ca 0.28 0.89 0.08 0.00 -0.47 0.00 0.00 55.73 56.51 1zrr s ARG 37 Cb 0.01 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 1zrr s ARG 37 CO -0.02 -0.29 -0.01 -1.58 -1.08 0.00 0.00 175.30 172.32 1zrr s TRP 38 N 2.53 2.77 0.08 5.89 0.51 -1.26 -4.97 118.94 124.49 1zrr s TRP 38 Ca 0.00 -0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 53.76 1zrr s TRP 38 Cb -0.12 -1.30 -0.02 0.00 -0.81 0.00 0.00 33.47 31.22 1zrr s TRP 38 CO -0.11 0.55 0.08 1.14 -0.51 0.00 0.00 176.95 178.10 1zrr s GLN 39 N -3.24 0.77 0.21 4.98 -2.07 -1.26 -4.75 119.66 114.30 1zrr s GLN 39 Ca 0.29 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.73 1zrr s GLN 39 Cb -0.08 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 1zrr s GLN 39 CO 0.19 -0.21 0.29 0.00 -1.32 0.00 0.00 175.29 174.25 1zrr s ALA 40 N -3.92 3.85 -0.56 2.60 0.00 -1.26 -5.00 121.76 117.48 1zrr s ALA 40 Ca 0.09 -1.20 0.20 0.00 0.00 0.00 0.00 51.96 51.04 1zrr s ALA 40 Cb 0.06 -1.64 -0.26 0.00 0.00 0.00 0.00 23.12 21.29 1zrr s ALA 40 CO -0.08 0.35 0.67 -0.25 0.00 0.00 0.00 175.76 176.45 1zrr n ASP 41 N -1.04 0.70 -4.93 0.00 10.43 -1.26 -4.94 116.55 115.50 1zrr n ASP 41 Ca -0.08 -0.57 -0.25 0.00 2.57 0.00 0.00 54.79 56.46 1zrr n ASP 41 Cb 0.56 1.38 -0.01 0.00 1.84 0.00 0.00 41.12 44.89 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1zrr s ARG 42 N -3.08 3.52 -0.22 -1.24 0.52 -1.26 -5.06 118.95 112.13 1zrr s ARG 42 Ca 0.01 -0.18 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1zrr s ARG 42 Cb 0.14 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1zrr s ARG 42 CO 0.82 0.11 0.44 -0.51 0.02 0.00 0.00 175.30 176.18 1zrr s ASP 43 N -3.85 6.44 0.45 0.23 1.01 -1.26 -5.07 116.67 114.62 1zrr s ASP 43 Ca 0.42 0.52 0.02 0.00 0.71 0.00 0.00 52.55 54.21 1zrr s ASP 43 Cb -0.10 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1zrr s ASP 43 CO 0.36 -0.14 0.66 -0.76 0.21 0.00 0.00 175.17 175.50 1zrr s LEU 44 N 1.62 3.63 0.00 1.23 1.43 -1.26 -5.05 118.68 120.28 1zrr s LEU 44 Ca 0.20 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1zrr s LEU 44 Cb -0.15 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1zrr s LEU 44 CO 0.09 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1zrr n GLY 45 N -2.06 0.71 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.91 1zrr n GLY 45 Ca 0.02 0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.12 2.63 -0.51 4.61 0.00 -1.26 -4.91 121.76 121.22 1zrr s ALA 46 Ca 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.07 1zrr s ALA 46 Cb 0.00 -4.45 0.13 0.00 0.00 0.00 0.00 23.12 18.80 1zrr s ALA 46 CO 0.00 -3.62 0.25 0.00 0.00 0.00 0.00 175.76 172.40 1zrr s ALA 47 N 5.65 3.29 -0.13 0.00 0.00 -1.26 -4.92 121.76 124.39 1zrr s ALA 47 Ca 0.45 -3.16 0.24 0.00 0.00 0.00 0.00 51.96 49.49 1zrr s ALA 47 Cb -0.03 -2.20 0.64 0.00 0.00 0.00 0.00 23.12 21.52 1zrr s ALA 47 CO -0.02 -1.98 1.71 -1.00 0.00 0.00 0.00 175.76 174.47 1zrr h PRO 48 N 6.74 0.00 -6.56 0.00 0.13 -2.06 -3.44 132.00 126.81 1zrr h PRO 48 Ca -0.07 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.38 1zrr h PRO 48 Cb 0.92 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.76 1zrr h PRO 48 CO 0.67 0.16 -0.88 0.95 -0.23 0.00 0.00 178.00 178.67 1zrr s THR 49 N -3.36 2.02 -0.55 1.56 -4.23 -1.26 -5.01 115.64 104.81 1zrr s THR 49 Ca 0.04 -1.16 0.24 0.00 -1.18 0.00 0.00 61.69 59.63 1zrr s THR 49 Cb 0.08 -1.69 0.29 0.00 1.34 0.00 0.00 72.50 72.52 1zrr s THR 49 CO 0.65 0.50 1.63 0.00 -0.54 0.00 0.00 174.62 176.87 1zrr h ALA 50 N 5.32 0.96 -1.02 3.99 0.00 -1.93 -3.30 119.26 123.28 1zrr h ALA 50 Ca -0.43 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.75 1zrr h ALA 50 Cb 1.13 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1zrr h ALA 50 CO 0.46 0.00 0.61 0.93 0.00 0.00 0.00 179.25 181.25 1zrr h GLU 51 N 0.00 0.47 0.09 0.00 5.08 -1.99 0.63 114.58 118.87 1zrr h GLU 51 Ca 0.00 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 1zrr h GLU 51 Cb 0.89 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1zrr h GLU 51 CO 0.00 0.31 -1.16 1.15 -1.00 0.00 0.00 179.01 178.32 1zrr h THR 52 N 0.49 1.48 0.44 1.13 2.02 -1.99 -2.82 112.91 113.66 1zrr h THR 52 Ca 0.66 -2.92 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 1zrr h THR 52 Cb 1.40 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 1zrr h THR 52 CO -0.47 0.86 -0.21 0.58 0.37 0.00 0.00 175.52 176.65 1zrr h VAL 53 N 0.11 0.38 -0.56 3.16 2.07 -0.09 -2.62 116.25 118.69 1zrr h VAL 53 Ca -0.12 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1zrr h VAL 53 Cb 1.86 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1zrr h VAL 53 CO 0.19 0.07 0.37 0.40 0.02 0.00 0.00 177.57 178.62 1zrr h ILE 54 N -0.98 1.06 -0.59 4.57 5.03 -0.51 -0.03 117.51 126.06 1zrr h ILE 54 Ca -0.06 -0.22 0.04 0.00 -0.12 0.00 0.00 64.86 64.50 1zrr h ILE 54 Cb 0.57 0.36 -0.03 0.00 -3.03 0.00 0.00 36.82 34.69 1zrr h ILE 54 CO 0.10 0.12 0.39 0.00 -0.68 0.00 0.00 178.15 178.08 1zrr h ALA 55 N 1.67 1.72 0.00 1.87 0.00 -1.41 1.29 119.26 124.40 1zrr h ALA 55 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1zrr h ALA 55 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1zrr h ALA 55 CO -0.06 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1zrr n ALA 56 N -2.47 2.01 0.43 0.00 0.00 -0.05 -2.95 120.51 117.49 1zrr n ALA 56 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1zrr n ALA 56 Cb 0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1zrr n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1zrr n TYR 57 N -2.09 0.00 -0.35 0.00 4.02 0.11 -4.56 117.16 114.28 1zrr n TYR 57 Ca 0.04 0.00 0.27 0.00 -0.01 0.00 0.00 57.90 58.20 1zrr n TYR 57 Cb 0.32 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 40.20 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 0.33 0.28 -0.72 -0.72 1.08 0.16 0.38 115.11 115.89 1zrr h GLN 58 Ca 0.00 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.30 1zrr h GLN 58 Cb 0.25 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.53 1zrr h GLN 58 CO 0.00 0.19 0.33 1.12 -0.95 0.00 0.00 178.83 179.52 1zrr h HIS 59 N 0.29 0.58 0.74 2.96 2.07 -1.80 1.93 115.15 121.92 1zrr h HIS 59 Ca 0.65 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.17 1zrr h HIS 59 Cb 1.82 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 31.66 1zrr h HIS 59 CO -0.00 0.16 -0.36 0.00 -3.07 0.00 0.00 177.93 174.66 1zrr h ALA 60 N 1.48 -1.09 0.00 6.11 0.00 -0.57 -2.78 119.26 122.40 1zrr h ALA 60 Ca 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1zrr h ALA 60 Cb 0.47 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1zrr h ALA 60 CO -0.32 -1.02 -0.09 -0.84 0.00 0.00 0.00 179.25 176.98 1zrr h ILE 61 N -1.16 0.84 -0.12 0.00 -0.00 -1.36 -0.68 117.51 115.03 1zrr h ILE 61 Ca -0.10 -0.34 0.04 0.00 -0.00 0.00 0.00 64.86 64.45 1zrr h ILE 61 Cb 0.77 1.20 -0.00 0.00 -0.00 0.00 0.00 36.82 38.78 1zrr h ILE 61 CO 0.17 0.09 0.11 -0.78 -0.00 0.00 0.00 178.15 177.73 1zrr h ASP 62 N 0.00 0.00 -0.10 2.16 -0.00 0.33 -0.68 116.42 118.13 1zrr h ASP 62 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.81 1zrr h ASP 62 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1zrr h ASP 62 CO 0.01 0.00 -0.78 0.11 -0.00 0.00 0.00 179.24 178.58 1zrr h LYS 63 N 0.00 0.70 -0.35 0.28 1.57 -0.86 -2.78 116.57 115.13 1zrr h LYS 63 Ca 0.06 -0.63 -0.06 0.00 -1.87 0.00 0.00 60.65 58.16 1zrr h LYS 63 Cb 0.27 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1zrr h LYS 63 CO -0.00 1.23 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.02 1zrr h LEU 64 N 0.39 0.53 -1.19 2.94 4.07 -1.19 -1.86 115.31 119.01 1zrr h LEU 64 Ca -0.07 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.70 1zrr h LEU 64 Cb 1.43 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1zrr h LEU 64 CO 0.16 0.62 -0.40 0.58 -1.08 0.00 0.00 178.44 178.31 1zrr h VAL 65 N 0.53 1.28 0.01 1.22 2.07 -1.22 0.38 116.25 120.53 1zrr h VAL 65 Ca 0.11 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.25 1zrr h VAL 65 Cb 0.37 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1zrr h VAL 65 CO 0.01 0.40 -0.05 0.00 0.02 0.00 0.00 177.57 177.95 1zrr h ALA 66 N 1.60 -0.06 0.00 1.67 0.00 -1.05 0.61 119.26 122.02 1zrr h ALA 66 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1zrr h ALA 66 Cb 0.72 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zrr h ALA 66 CO 0.05 -0.55 -0.76 0.93 0.00 0.00 0.00 179.25 178.93 1zrr h GLU 67 N -0.10 0.00 -0.52 0.00 4.39 -1.52 -3.36 114.58 113.47 1zrr h GLU 67 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1zrr h GLU 67 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1zrr h GLU 67 CO -0.04 0.61 0.00 1.63 -1.16 0.00 0.00 179.01 180.05 1zrr n LYS 68 N -4.54 1.81 0.00 2.33 4.76 0.13 -4.92 118.16 117.73 1zrr n LYS 68 Ca -0.19 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 1zrr n LYS 68 Cb 0.47 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 69 N 0.55 0.00 3.83 0.72 0.00 0.21 -4.79 105.19 105.72 1zrr n GLY 69 Ca 0.08 0.00 -0.30 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 3.03 0.00 1.61 1.51 -1.26 -5.02 117.35 117.22 1zrr s TYR 70 Ca 0.00 1.15 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 1zrr s TYR 70 Cb 0.00 -3.07 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 1zrr s TYR 70 CO 0.00 -1.51 0.05 1.04 -1.11 0.00 0.00 175.55 174.02 1zrr n GLN 71 N -3.26 0.00 -3.83 -0.62 6.02 -1.25 -4.85 117.38 109.59 1zrr n GLN 71 Ca 0.07 0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1zrr n GLN 71 Cb 0.56 -0.55 -0.03 0.00 1.02 0.00 0.00 30.24 31.25 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1zrr s SER 72 N -2.11 5.68 -0.03 1.08 1.04 -1.16 -4.96 113.70 113.24 1zrr s SER 72 Ca 0.00 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1zrr s SER 72 Cb 0.00 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1zrr s SER 72 CO 0.00 -0.25 -0.10 0.86 0.98 0.00 0.00 173.24 174.74 1zrr s TRP 73 N -2.18 1.00 0.18 5.02 -0.11 -1.26 0.11 118.94 121.70 1zrr s TRP 73 Ca 0.39 -0.25 -0.08 0.00 1.22 0.00 0.00 56.10 57.37 1zrr s TRP 73 Cb -0.08 -0.71 -0.01 0.00 -1.50 0.00 0.00 33.47 31.17 1zrr s TRP 73 CO 0.28 -0.10 0.29 0.34 -4.62 0.00 0.00 176.95 173.13 1zrr s ASP 74 N 0.19 0.05 -0.00 5.86 -1.08 -0.85 -4.91 116.67 115.92 1zrr s ASP 74 Ca -0.03 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.10 1zrr s ASP 74 Cb -0.09 0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.80 1zrr s ASP 74 CO 0.01 -0.92 -0.25 0.54 0.52 0.00 0.00 175.17 175.06 1zrr s VAL 75 N -4.01 2.15 -0.33 1.11 0.11 -1.26 -1.48 120.40 116.70 1zrr s VAL 75 Ca 0.22 -1.16 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 1zrr s VAL 75 Cb 0.03 -1.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.10 1zrr s VAL 75 CO 0.03 0.52 0.19 -0.51 -3.33 0.00 0.00 175.10 172.00 1zrr s ILE 76 N -0.68 4.86 -0.29 7.04 1.10 0.28 -4.92 121.20 128.59 1zrr s ILE 76 Ca 0.11 -0.39 -0.03 0.00 -0.51 0.00 0.00 60.65 59.83 1zrr s ILE 76 Cb -0.10 -3.51 0.19 0.00 0.15 0.00 0.00 42.46 39.20 1zrr s ILE 76 CO 0.00 0.01 0.82 -0.55 -2.11 0.00 0.00 174.94 173.11 1zrr s SER 77 N 1.65 -1.01 0.45 4.50 0.15 -1.26 -0.80 113.70 117.38 1zrr s SER 77 Ca 0.05 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.84 1zrr s SER 77 Cb -0.17 1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.77 1zrr s SER 77 CO 0.08 -0.19 0.07 -0.11 1.20 0.00 0.00 173.24 174.29 1zrr n LEU 78 N 5.26 0.00 -4.88 3.45 0.00 -1.26 -4.96 117.00 114.62 1zrr n LEU 78 Ca 0.07 -3.06 -0.30 0.00 0.00 0.00 0.00 56.01 52.72 1zrr n LEU 78 Cb 0.56 0.66 -0.04 0.00 0.00 0.00 0.00 43.42 44.59 1zrr n LEU 78 CO -0.11 -0.45 0.32 -0.60 0.00 0.00 0.00 177.39 176.55 1zrr s ARG 79 N -3.65 3.77 0.00 1.96 6.06 -1.26 -4.18 118.95 121.65 1zrr s ARG 79 Ca 0.10 0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.64 1zrr s ARG 79 Cb 0.00 -2.53 0.00 0.00 0.06 0.00 0.00 34.95 32.49 1zrr s ARG 79 CO 0.07 0.14 0.39 0.00 -2.50 0.00 0.00 175.30 173.39 1zrr n ALA 80 N -0.82 1.20 -1.30 6.12 0.00 -1.26 -0.65 120.51 123.79 1zrr n ALA 80 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1zrr n ALA 80 Cb 0.53 -0.80 0.18 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.89 3.61 -4.74 0.00 8.00 -1.26 -4.98 116.55 116.30 1zrr n ASP 81 Ca 0.00 -3.67 -0.40 0.00 0.71 0.00 0.00 54.79 51.43 1zrr n ASP 81 Cb 0.00 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.26 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 -1.66 7.38 0.30 -2.24 2.20 0.17 -4.96 114.94 116.13 1zrr s ASN 82 Ca 0.54 1.64 0.16 0.00 -0.94 0.00 0.00 52.86 54.26 1zrr s ASN 82 Cb 0.46 -2.53 0.25 0.00 -2.00 0.00 0.00 41.25 37.43 1zrr s ASN 82 CO 0.07 -0.01 1.53 1.55 -2.94 0.00 0.00 177.10 177.30 1zrr h PRO 83 N 5.49 0.00 -0.38 3.55 0.13 -1.93 -3.14 132.00 135.72 1zrr h PRO 83 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1zrr h PRO 83 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zrr h PRO 83 CO 0.71 0.50 0.00 1.04 -0.23 0.00 0.00 178.00 180.02 1zrr n GLN 84 N -3.33 2.03 0.09 0.86 3.00 -1.26 -4.26 117.38 114.51 1zrr n GLN 84 Ca 0.01 -1.59 -0.12 0.00 -0.01 0.00 0.00 57.00 55.28 1zrr n GLN 84 Cb 0.68 -1.38 -0.06 0.00 0.00 0.00 0.00 30.24 29.47 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1zrr h LYS 85 N 2.77 -0.21 0.27 -1.09 2.10 -1.96 1.22 116.57 119.67 1zrr h LYS 85 Ca 0.00 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1zrr h LYS 85 Cb 0.63 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1zrr h LYS 85 CO 0.00 -0.14 -0.13 1.49 -2.00 0.00 0.00 179.45 178.67 1zrr h GLU 86 N -0.22 -0.35 -0.38 0.07 4.81 -1.83 0.12 114.58 116.81 1zrr h GLU 86 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1zrr h GLU 86 Cb 0.21 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1zrr h GLU 86 CO -0.03 -0.01 0.18 0.00 -0.73 0.00 0.00 179.01 178.42 1zrr h ALA 87 N -0.16 0.46 -0.32 2.92 0.00 -1.76 0.15 119.26 120.55 1zrr h ALA 87 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 87 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1zrr h ALA 87 CO 0.06 -0.20 0.13 1.25 0.00 0.00 0.00 179.25 180.50 1zrr h LEU 88 N 0.36 0.43 -1.25 0.00 5.85 0.15 -1.27 115.31 119.59 1zrr h LEU 88 Ca 0.16 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1zrr h LEU 88 Cb 0.09 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1zrr h LEU 88 CO -0.12 0.47 0.39 -0.09 -0.34 0.00 0.00 178.44 178.75 1zrr h ARG 89 N 0.36 0.90 0.60 1.25 2.43 -0.29 -1.70 114.38 117.94 1zrr h ARG 89 Ca 0.11 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1zrr h ARG 89 Cb 0.17 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1zrr h ARG 89 CO -0.01 0.64 -0.29 1.49 -1.51 0.00 0.00 179.97 180.29 1zrr h GLU 90 N 0.92 -0.78 -0.99 0.20 4.81 -0.33 0.14 114.58 118.55 1zrr h GLU 90 Ca 0.24 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.74 1zrr h GLU 90 Cb -0.02 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.44 1zrr h GLU 90 CO -0.04 -0.48 0.62 0.87 -0.73 0.00 0.00 179.01 179.25 1zrr h LYS 91 N -1.14 0.55 0.00 1.92 1.79 -1.12 1.09 116.57 119.66 1zrr h LYS 91 Ca -0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1zrr h LYS 91 Cb 0.66 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1zrr h LYS 91 CO 0.14 0.36 0.00 0.74 -1.08 0.00 0.00 179.45 179.61 1zrr h PHE 92 N 0.57 0.00 -0.45 -1.35 -1.00 -1.22 -3.19 116.94 110.30 1zrr h PHE 92 Ca 0.57 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.33 1zrr h PHE 92 Cb 1.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 1zrr h PHE 92 CO -0.00 0.00 0.22 1.25 -1.61 0.00 0.00 178.31 178.17 1zrr h LEU 93 N 0.00 0.55-10.11 1.54 6.46 0.42 -3.19 115.31 110.99 1zrr h LEU 93 Ca 0.00 -0.04 -0.53 0.00 -0.12 0.00 0.00 57.88 57.18 1zrr h LEU 93 Cb 0.93 -0.14 0.12 0.00 -0.73 0.00 0.00 40.66 40.84 1zrr h LEU 93 CO 0.00 0.47 0.47 0.20 -0.62 0.00 0.00 178.44 178.96 1zrr s ASN 94 N -6.64 5.01 0.72 1.25 -0.87 -1.13 -4.34 114.94 108.94 1zrr s ASN 94 Ca -0.09 2.42 -0.11 0.00 -1.57 0.00 0.00 52.86 53.52 1zrr s ASN 94 Cb 0.17 -2.60 0.03 0.00 -0.02 0.00 0.00 41.25 38.83 1zrr s ASN 94 CO 0.75 -1.72 1.10 -1.83 -2.57 0.00 0.00 177.10 172.83 1zrr s GLU 95 N -3.40 2.59 0.00 -0.60 1.03 -1.26 -4.71 118.70 112.35 1zrr s GLU 95 Ca 0.78 0.28 0.00 0.00 0.03 0.00 0.00 54.97 56.06 1zrr s GLU 95 Cb -0.31 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 30.98 1zrr s GLU 95 CO 0.35 -1.16 0.00 -2.39 -1.33 0.00 0.00 175.26 170.73 1zrr n HIS 96 N -3.04 -0.28 -3.64 4.83 1.44 -0.98 -4.71 115.22 108.84 1zrr n HIS 96 Ca 0.07 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.71 1zrr n HIS 96 Cb 0.58 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.63 1zrr n HIS 96 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1zrr s THR 97 N -2.30 0.00 0.19 0.61 -1.32 -1.24 -2.45 115.64 109.13 1zrr s THR 97 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1zrr s THR 97 CO 0.00 0.00 0.20 -1.00 -2.21 0.00 0.00 174.62 171.61 1zrr s HIS 98 N 1.17 3.22 -1.34 9.09 0.09 -1.26 -3.67 115.29 122.58 1zrr s HIS 98 Ca -0.06 -0.02 0.28 0.00 -0.00 0.00 0.00 55.06 55.26 1zrr s HIS 98 Cb -0.05 -1.51 1.38 0.00 -0.00 0.00 0.00 32.58 32.40 1zrr s HIS 98 CO -0.13 0.51 1.96 0.41 -0.00 0.00 0.00 174.74 177.49 1zrr n GLY 99 N -0.70 -1.27 3.55 -2.22 0.00 -1.26 -1.80 105.19 101.49 1zrr n GLY 99 Ca -0.08 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1zrr n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrr s GLU 100 N -2.66 1.83 0.27 1.61 2.02 -1.26 -4.78 118.70 115.74 1zrr s GLU 100 Ca 0.24 -2.05 -0.30 0.00 0.02 0.00 0.00 54.97 52.89 1zrr s GLU 100 Cb 0.19 -1.21 -0.09 0.00 0.10 0.00 0.00 34.13 33.11 1zrr s GLU 100 CO 0.45 -0.16 1.08 0.34 0.02 0.00 0.00 175.26 176.98 1zrr s ASP 101 N -3.61 7.33 -0.71 -0.19 3.68 -1.26 -3.88 116.67 118.02 1zrr s ASP 101 Ca 0.33 2.22 -0.16 0.00 2.13 0.00 0.00 52.55 57.06 1zrr s ASP 101 Cb 0.08 -2.62 0.15 0.00 -1.45 0.00 0.00 42.92 39.08 1zrr s ASP 101 CO 0.16 -0.10 0.74 -0.70 0.13 0.00 0.00 175.17 175.39 1zrr s GLU 102 N -1.38 3.30 -0.23 4.34 2.12 -0.81 -4.92 118.70 121.11 1zrr s GLU 102 Ca 0.44 -1.87 -0.15 0.00 0.36 0.00 0.00 54.97 53.74 1zrr s GLU 102 Cb -0.31 -4.42 -0.04 0.00 0.26 0.00 0.00 34.13 29.62 1zrr s GLU 102 CO 0.40 -1.44 0.37 0.08 -0.54 0.00 0.00 175.26 174.13 1zrr s VAL 103 N 1.54 5.20 -0.09 3.70 1.01 -1.26 -2.61 120.40 127.89 1zrr s VAL 103 Ca 0.15 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1zrr s VAL 103 Cb -0.18 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1zrr s VAL 103 CO -0.02 0.22 -0.13 -0.60 0.00 0.00 0.00 175.10 174.57 1zrr s ARG 104 N 1.60 1.91 -0.18 2.72 3.52 -1.18 -4.61 118.95 122.72 1zrr s ARG 104 Ca 0.17 -0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.23 1zrr s ARG 104 Cb -0.15 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 1zrr s ARG 104 CO 0.08 -0.06 0.09 0.12 -0.81 0.00 0.00 175.30 174.72 1zrr s PHE 105 N 0.98 3.33 -0.12 5.12 5.36 -1.19 -3.07 117.98 128.39 1zrr s PHE 105 Ca -0.08 0.20 -0.24 0.00 -0.96 0.00 0.00 56.93 55.85 1zrr s PHE 105 Cb -0.15 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1zrr s PHE 105 CO -0.01 0.26 0.75 -0.06 -1.46 0.00 0.00 175.22 174.70 1zrr s PHE 106 N 0.20 3.49 -0.12 10.12 0.08 -1.26 -0.74 117.98 129.75 1zrr s PHE 106 Ca 0.06 1.22 0.10 0.00 0.12 0.00 0.00 56.93 58.43 1zrr s PHE 106 Cb -0.12 -2.90 -0.14 0.00 -0.57 0.00 0.00 43.02 39.29 1zrr s PHE 106 CO -0.00 -0.09 0.04 0.28 -0.10 0.00 0.00 175.22 175.35 1zrr n VAL 107 N 4.30 0.80 -3.53 -0.44 0.31 -0.01 -4.54 118.33 115.23 1zrr n VAL 107 Ca 0.01 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1zrr n VAL 107 Cb 0.50 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 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 -2.28 0.80 0.00 5.55 2.56 -0.14 -4.88 118.70 120.31 1zrr s GLU 108 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 54.90 1zrr s GLU 108 Cb 0.03 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.54 1zrr s GLU 108 CO 0.47 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.29 1zrr n GLY 109 N 0.39 -0.28 3.23 -1.50 0.00 -1.26 -0.38 105.19 105.39 1zrr n GLY 109 Ca -0.12 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -3.01 1.30 0.00 4.61 0.00 -1.26 -4.77 121.76 118.63 1zrr s ALA 110 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1zrr s ALA 110 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1zrr s ALA 110 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1zrr n GLY 111 N -0.19 0.96 3.27 0.00 0.00 -1.26 -5.04 105.19 102.92 1zrr n GLY 111 Ca -0.09 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 6.01 -0.09 0.99 0.05 -1.26 -4.43 118.68 119.96 1zrr s LEU 112 Ca 0.00 -1.95 -0.29 0.00 0.05 0.00 0.00 54.13 51.94 1zrr s LEU 112 Cb 0.00 -2.12 -0.02 0.00 -2.05 0.00 0.00 46.19 42.00 1zrr s LEU 112 CO 0.00 -0.76 0.98 0.72 -0.55 0.00 0.00 176.35 176.74 1zrr s PHE 113 N 1.34 3.54 -0.08 3.48 -0.71 -1.15 -4.81 117.98 119.59 1zrr s PHE 113 Ca 0.06 1.58 -0.30 0.00 -1.04 0.00 0.00 56.93 57.23 1zrr s PHE 113 Cb -0.27 -3.15 -0.02 0.00 -1.21 0.00 0.00 43.02 38.37 1zrr s PHE 113 CO 0.00 -0.17 1.07 0.00 -1.34 0.00 0.00 175.22 174.78 1zrr s LEU 115 N 1.97 2.75 -0.35 0.00 0.20 1.20 -4.41 118.68 120.04 1zrr s LEU 115 Ca 0.51 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.88 1zrr s LEU 115 Cb -0.21 -1.65 0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1zrr s LEU 115 CO 0.20 0.08 0.13 -2.28 -0.29 0.00 0.00 176.35 174.20 1zrr s HIS 116 N 0.83 3.24 -0.20 5.38 5.65 -1.25 0.21 115.29 129.15 1zrr s HIS 116 Ca -0.03 -1.25 0.01 0.00 0.25 0.00 0.00 55.06 54.03 1zrr s HIS 116 Cb -0.15 -2.32 0.04 0.00 -1.18 0.00 0.00 32.58 28.97 1zrr s HIS 116 CO 0.01 -0.69 -0.10 0.96 -0.65 0.00 0.00 174.74 174.27 1zrr s ILE 117 N 1.46 1.61 0.00 0.89 -4.36 -1.19 -4.31 121.20 115.29 1zrr s ILE 117 Ca -0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 1zrr s ILE 117 Cb -0.19 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.81 1zrr s ILE 117 CO 0.04 0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.97 1zrr n GLY 118 N 4.69 0.75 3.20 6.27 0.00 -1.26 -3.73 105.19 115.12 1zrr n GLY 118 Ca -0.14 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 1.78 4.77 -3.75 1.61 8.00 -1.26 -4.96 116.55 122.74 1zrr n ASP 119 Ca 0.00 -3.10 -0.04 0.00 0.71 0.00 0.00 54.79 52.37 1zrr n ASP 119 Cb 0.00 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 39.90 1zrr n ASP 119 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1zrr s GLU 120 N -1.37 1.23 -0.03 -1.24 -1.05 -1.24 -4.64 118.70 110.36 1zrr s GLU 120 Ca 0.29 -0.68 0.05 0.00 -0.15 0.00 0.00 54.97 54.48 1zrr s GLU 120 Cb -0.08 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1zrr s GLU 120 CO -0.11 -0.56 -0.19 0.08 0.95 0.00 0.00 175.26 175.43 1zrr s VAL 121 N -3.29 1.51 -0.10 1.83 1.01 0.13 -3.18 120.40 118.32 1zrr s VAL 121 Ca 0.12 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1zrr s VAL 121 Cb -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1zrr s VAL 121 CO 0.03 0.43 -0.21 -0.36 0.00 0.00 0.00 175.10 174.99 1zrr s PHE 122 N -0.21 2.30 -0.17 5.22 0.40 0.56 -1.65 117.98 124.43 1zrr s PHE 122 Ca 0.02 -0.95 -0.00 0.00 -0.60 0.00 0.00 56.93 55.39 1zrr s PHE 122 Cb -0.10 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.91 1zrr s PHE 122 CO 0.01 -0.40 -0.06 -0.65 0.70 0.00 0.00 175.22 174.82 1zrr s GLN 123 N 0.46 1.52 -0.16 0.44 -0.21 0.29 0.38 119.66 122.38 1zrr s GLN 123 Ca -0.17 -0.56 -0.08 0.00 0.02 0.00 0.00 55.36 54.58 1zrr s GLN 123 Cb -0.17 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 1zrr s GLN 123 CO 0.07 -0.43 0.10 0.08 -2.12 0.00 0.00 175.29 172.99 1zrr s VAL 124 N 1.60 5.15 -0.39 1.09 1.01 -1.20 0.11 120.40 127.77 1zrr s VAL 124 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1zrr s VAL 124 Cb -0.15 -3.30 0.13 0.00 0.00 0.00 0.00 36.38 33.06 1zrr s VAL 124 CO -0.08 0.51 0.21 -0.22 0.00 0.00 0.00 175.10 175.52 1zrr s LEU 125 N -0.12 1.88 -0.28 3.92 0.20 -1.17 -2.96 118.68 120.15 1zrr s LEU 125 Ca 0.09 -2.33 -0.20 0.00 0.69 0.00 0.00 54.13 52.38 1zrr s LEU 125 Cb -0.12 -0.74 0.11 0.00 -0.43 0.00 0.00 46.19 45.01 1zrr s LEU 125 CO 0.01 -0.30 0.87 0.00 -0.29 0.00 0.00 176.35 176.63 1zrr s GLU 127 N 0.92 2.82 0.22 0.00 -1.05 -1.26 -4.85 118.70 115.50 1zrr s GLU 127 Ca -0.04 -2.17 0.09 0.00 -0.15 0.00 0.00 54.97 52.70 1zrr s GLU 127 Cb -0.05 -4.02 -0.04 0.00 -0.44 0.00 0.00 34.13 29.58 1zrr s GLU 127 CO -0.11 -1.22 -0.07 0.21 0.95 0.00 0.00 175.26 175.02 1zrr s LYS 128 N 0.64 2.13 0.00 -4.83 2.47 -1.26 -4.96 119.74 113.93 1zrr s LYS 128 Ca 0.12 -1.35 0.00 0.00 -1.56 0.00 0.00 55.97 53.18 1zrr s LYS 128 Cb -0.20 -2.14 0.00 0.00 -1.46 0.00 0.00 37.83 34.03 1zrr s LYS 128 CO -0.04 0.40 0.62 0.09 0.16 0.00 0.00 175.35 176.59 1zrr n ASN 129 N -0.34 0.00 -4.77 1.43 3.02 -1.26 -4.63 115.26 108.70 1zrr n ASN 129 Ca -0.09 0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 1zrr n ASN 129 Cb 0.57 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1zrr n ASN 129 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1zrr s ASP 130 N -2.25 5.37 0.28 6.41 -1.08 -1.26 -4.14 116.67 120.01 1zrr s ASP 130 Ca 0.00 2.06 0.11 0.00 -0.52 0.00 0.00 52.55 54.20 1zrr s ASP 130 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1zrr s ASP 130 CO 0.00 -1.45 -0.12 -1.48 0.52 0.00 0.00 175.17 172.64 1zrr s LEU 131 N -4.43 2.81 -0.06 -1.34 0.05 -1.22 -4.04 118.68 110.45 1zrr s LEU 131 Ca 0.69 -0.92 0.01 0.00 0.05 0.00 0.00 54.13 53.97 1zrr s LEU 131 Cb -0.22 -1.30 0.02 0.00 -2.05 0.00 0.00 46.19 42.64 1zrr s LEU 131 CO 0.36 -0.00 -0.08 -0.63 -0.55 0.00 0.00 176.35 175.44 1zrr s ILE 132 N -2.46 0.82 0.01 1.48 -1.09 -1.17 -3.95 121.20 114.84 1zrr s ILE 132 Ca 0.31 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1zrr s ILE 132 Cb -0.05 -0.80 -0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1zrr s ILE 132 CO 0.17 0.29 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.51 1zrr s SER 133 N 0.90 2.65 0.08 3.58 0.01 -1.25 -3.08 113.70 116.58 1zrr s SER 133 Ca -0.11 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.73 1zrr s SER 133 Cb -0.15 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1zrr s SER 133 CO 0.01 0.24 -0.02 0.68 0.41 0.00 0.00 173.24 174.56 1zrr s VAL 134 N -0.64 3.93 0.69 3.43 -7.23 -1.07 -2.79 120.40 116.71 1zrr s VAL 134 Ca 0.09 -0.96 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 1zrr s VAL 134 Cb -0.09 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1zrr s VAL 134 CO 0.00 0.17 1.15 -2.16 -0.31 0.00 0.00 175.10 173.95 1zrr s PRO 135 N -2.15 2.51 0.21 4.82 0.04 -1.26 -1.93 135.00 137.25 1zrr s PRO 135 Ca 0.24 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1zrr s PRO 135 Cb -0.12 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1zrr s PRO 135 CO 0.16 -1.50 1.16 0.00 0.04 0.00 0.00 177.00 176.87 1zrr s ALA 136 N -2.21 3.42 0.00 8.56 0.00 -1.25 -3.01 121.76 127.27 1zrr s ALA 136 Ca 0.70 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1zrr s ALA 136 Cb -0.24 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1zrr s ALA 136 CO 0.43 -0.31 0.00 1.58 0.00 0.00 0.00 175.76 177.46 1zrr n HIS 137 N 2.11 0.00 -3.92 0.00 -0.00 -0.74 -4.93 115.22 107.73 1zrr n HIS 137 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.39 1zrr n HIS 137 Cb 0.45 -0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1zrr s THR 138 N -2.00 4.65 0.20 3.57 2.01 -1.16 -5.01 115.64 117.89 1zrr s THR 138 Ca 0.00 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 1zrr s THR 138 Cb 0.00 -3.13 -0.10 0.00 0.01 0.00 0.00 72.50 69.28 1zrr s THR 138 CO 0.00 0.41 1.51 -2.16 -0.69 0.00 0.00 174.62 173.69 1zrr s PRO 139 N 0.85 4.24 -0.02 4.92 0.04 -1.26 -4.64 135.00 139.13 1zrr s PRO 139 Ca 0.04 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1zrr s PRO 139 Cb -0.14 -3.14 0.11 0.00 0.04 0.00 0.00 34.50 31.37 1zrr s PRO 139 CO 0.02 -0.53 1.02 -3.38 0.04 0.00 0.00 177.00 174.18 1zrr s HIS 140 N 0.64 -0.22 0.00 0.56 -3.43 -1.02 -3.89 115.29 107.92 1zrr s HIS 140 Ca 0.65 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 1zrr s HIS 140 Cb -0.43 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1zrr s HIS 140 CO 0.37 -0.49 0.00 -2.67 -2.00 0.00 0.00 174.74 169.95 1zrr n TRP 141 N -0.27 0.00 -3.54 0.38 2.14 -1.26 -2.31 117.44 112.57 1zrr n TRP 141 Ca -0.06 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.54 1zrr n TRP 141 Cb 0.61 0.00 -0.06 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 1.69 -0.07 -0.10 -2.67 5.36 -1.21 -4.93 117.98 116.05 1zrr s PHE 142 Ca 0.00 0.14 -0.09 0.00 -0.96 0.00 0.00 56.93 56.02 1zrr s PHE 142 Cb 0.00 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1zrr s PHE 142 CO 0.00 -0.04 0.26 0.16 -1.46 0.00 0.00 175.22 174.15 1zrr s ASP 143 N 1.27 -0.27 -0.20 6.13 -4.77 -1.26 -3.95 116.67 113.62 1zrr s ASP 143 Ca -0.06 0.53 0.15 0.00 -3.30 0.00 0.00 52.55 49.86 1zrr s ASP 143 Cb -0.02 0.53 0.47 0.00 -1.09 0.00 0.00 42.92 42.81 1zrr s ASP 143 CO -0.11 -0.09 1.37 1.15 0.70 0.00 0.00 175.17 178.18 1zrr n MET 144 N 3.00 2.25 0.00 2.11 0.00 -1.26 -4.84 117.12 118.38 1zrr n MET 144 Ca -0.13 -2.90 0.00 0.00 0.00 0.00 0.00 57.70 54.67 1zrr n MET 144 Cb 0.58 -1.76 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 -0.89 0.00 3.61 3.17 0.00 -1.26 -2.98 105.19 106.84 1zrr n GLY 145 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrr s SER 146 N 0.00 6.68 -0.25 1.61 0.15 -1.26 -4.84 113.70 115.79 1zrr s SER 146 Ca 0.00 0.67 -0.00 0.00 0.70 0.00 0.00 55.95 57.31 1zrr s SER 146 Cb 0.00 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1zrr s SER 146 CO 0.00 -0.65 -0.08 -1.83 1.20 0.00 0.00 173.24 171.87 1zrr s GLU 147 N 3.04 2.70 -0.62 5.44 4.04 -1.16 -4.98 118.70 127.16 1zrr s GLU 147 Ca 0.34 -1.06 -0.01 0.00 0.04 0.00 0.00 54.97 54.28 1zrr s GLU 147 Cb -0.14 -2.93 0.48 0.00 0.02 0.00 0.00 34.13 31.56 1zrr s GLU 147 CO 0.13 -0.43 1.97 -0.35 -1.84 0.00 0.00 175.26 174.74 1zrr n PRO 148 N 4.61 2.68 -1.31 -4.83 -0.04 -1.26 -4.52 135.00 130.33 1zrr n PRO 148 Ca -0.16 -3.31 0.00 0.00 -0.04 0.00 0.00 63.50 59.99 1zrr n PRO 148 Cb 0.46 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1zrr n PRO 148 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zrr n ASN 149 N -0.94 -1.74 -4.96 3.54 4.05 -1.26 -4.78 115.26 109.17 1zrr n ASN 149 Ca 0.61 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 55.42 1zrr n ASN 149 Cb 0.80 -0.87 0.00 0.00 1.23 0.00 0.00 39.78 40.94 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 -2.82 3.28 -0.05 1.20 -0.71 -1.26 -4.73 117.98 112.88 1zrr s PHE 150 Ca 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 1zrr s PHE 150 Cb 0.00 -2.11 0.02 0.00 -1.21 0.00 0.00 43.02 39.72 1zrr s PHE 150 CO 0.00 -0.13 -0.04 0.99 -1.34 0.00 0.00 175.22 174.70 1zrr s THR 151 N -2.39 0.52 0.12 -4.49 2.01 0.49 -3.98 115.64 107.92 1zrr s THR 151 Ca 0.45 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1zrr s THR 151 Cb -0.10 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1zrr s THR 151 CO 0.36 0.24 0.14 0.00 -0.69 0.00 0.00 174.62 174.66 1zrr s ALA 152 N 1.20 0.34 -0.15 7.40 0.00 0.02 -0.83 121.76 129.74 1zrr s ALA 152 Ca -0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 1zrr s ALA 152 Cb -0.14 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1zrr s ALA 152 CO -0.02 -0.52 -0.07 0.42 0.00 0.00 0.00 175.76 175.58 1zrr s ILE 153 N -3.97 3.64 0.14 0.00 1.01 0.08 -0.56 121.20 121.54 1zrr s ILE 153 Ca 0.16 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1zrr s ILE 153 Cb 0.06 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1zrr s ILE 153 CO -0.03 0.50 -0.11 0.00 0.00 0.00 0.00 174.94 175.31 1zrr s ARG 154 N 0.34 1.05 0.08 2.79 1.70 -0.55 -3.15 118.95 121.22 1zrr s ARG 154 Ca -0.06 -1.41 0.04 0.00 -0.47 0.00 0.00 55.73 53.83 1zrr s ARG 154 Cb -0.15 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.53 1zrr s ARG 154 CO 0.04 0.09 0.01 0.42 -1.08 0.00 0.00 175.30 174.78 1zrr s ILE 155 N -3.11 4.12 -0.27 4.99 -1.09 -1.26 -2.01 121.20 122.57 1zrr s ILE 155 Ca 0.15 -0.92 -0.13 0.00 -2.23 0.00 0.00 60.65 57.51 1zrr s ILE 155 Cb 0.01 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1zrr s ILE 155 CO 0.01 0.14 0.30 -0.36 -1.23 0.00 0.00 174.94 173.80 1zrr s PHE 156 N -1.31 3.25 0.11 3.97 2.99 0.12 -4.89 117.98 122.22 1zrr s PHE 156 Ca 0.26 0.31 0.03 0.00 0.00 0.00 0.00 56.93 57.53 1zrr s PHE 156 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 43.02 40.38 1zrr s PHE 156 CO 0.18 -0.17 -0.08 0.34 -0.00 0.00 0.00 175.22 175.49 1zrr s ASP 157 N 1.61 1.40 0.13 1.36 3.68 -1.26 -2.99 116.67 120.60 1zrr s ASP 157 Ca 0.12 -0.96 -0.03 0.00 2.13 0.00 0.00 52.55 53.81 1zrr s ASP 157 Cb -0.16 0.04 -0.05 0.00 -1.45 0.00 0.00 42.92 41.31 1zrr s ASP 157 CO 0.10 -0.38 0.33 0.20 0.13 0.00 0.00 175.17 175.55 1zrr s ASN 158 N -2.94 6.44 -0.03 -0.34 0.01 -1.26 -5.03 114.94 111.78 1zrr s ASN 158 Ca 0.12 0.47 -0.23 0.00 -0.71 0.00 0.00 52.86 52.50 1zrr s ASN 158 Cb 0.03 -2.04 -0.17 0.00 0.41 0.00 0.00 41.25 39.47 1zrr s ASN 158 CO -0.02 0.07 1.07 1.55 -1.51 0.00 0.00 177.10 178.25 1zrr h PRO 159 N 2.75 -0.20 0.00 -0.60 0.13 -2.00 -3.13 132.00 128.94 1zrr h PRO 159 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zrr h PRO 159 Cb 1.17 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zrr h PRO 159 CO 0.73 0.23 0.68 1.49 -0.23 0.00 0.00 178.00 180.90 1zrr h GLU 160 N -0.74 0.00 0.18 0.86 4.81 -1.99 2.42 114.58 120.12 1zrr h GLU 160 Ca -0.02 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 1zrr h GLU 160 Cb 0.52 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.93 1zrr h GLU 160 CO 0.03 0.00 -1.21 0.78 -0.73 0.00 0.00 179.01 177.88 1zrr h GLY 161 N 0.00 0.57 -1.13 1.92 0.00 -1.97 -3.47 103.07 98.99 1zrr h GLY 161 Ca 0.00 -1.35 -0.61 0.00 0.00 0.00 0.00 47.33 45.37 1zrr h GLY 161 CO 0.00 1.18 -0.43 0.66 0.00 0.00 0.00 176.54 177.95 1zrr s TRP 162 N -2.68 2.02 0.23 5.60 1.48 0.81 -4.72 118.94 121.68 1zrr s TRP 162 Ca -0.10 -0.79 -0.01 0.00 -1.06 0.00 0.00 56.10 54.14 1zrr s TRP 162 Cb 0.04 -1.83 -0.04 0.00 -1.16 0.00 0.00 33.47 30.47 1zrr s TRP 162 CO 0.91 -0.04 0.42 0.96 -4.06 0.00 0.00 176.95 175.14 1zrr s ILE 163 N -2.75 5.18 0.00 0.66 -4.36 -1.24 -4.85 121.20 113.84 1zrr s ILE 163 Ca 0.28 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 1zrr s ILE 163 Cb 0.01 -3.75 0.00 0.00 1.25 0.00 0.00 42.46 39.97 1zrr s ILE 163 CO 0.16 -0.24 0.00 0.00 0.24 0.00 0.00 174.94 175.10 1zrr n ALA 164 N -0.85 0.00 -2.70 2.27 0.00 -1.26 -3.70 120.51 114.28 1zrr n ALA 164 Ca -0.05 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1zrr n ALA 164 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 2.89 -0.23 0.00 -0.21 -1.26 -4.13 119.66 115.80 1zrr s GLN 165 Ca 0.00 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1zrr s GLN 165 Cb 0.00 -2.74 -0.15 0.00 1.00 0.00 0.00 33.01 31.12 1zrr s GLN 165 CO 0.00 0.66 -0.21 1.97 -2.12 0.00 0.00 175.29 175.58 1zrr n PHE 166 N 1.64 0.00 -0.02 0.91 1.16 -1.26 -4.74 117.46 115.15 1zrr n PHE 166 Ca -0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.41 1zrr n PHE 166 Cb 0.53 -0.90 -0.02 0.00 -1.61 0.00 0.00 39.48 37.48 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 -3.23 0.21 0.00 1.97 -1.04 -1.26 -5.02 114.28 105.92 1zrr n THR 167 Ca -0.42 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1zrr n THR 167 Cb 0.93 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 2.81 0.31 3.82 3.41 0.00 -1.26 -5.08 105.19 109.20 1zrr n GLY 168 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.15 6.97 -0.75 1.61 -0.00 -1.26 -5.01 116.67 116.08 1zrr s ASP 169 Ca 0.00 1.65 -0.06 0.00 -0.00 0.00 0.00 52.55 54.13 1zrr s ASP 169 Cb 0.00 -2.52 0.19 0.00 -0.00 0.00 0.00 42.92 40.59 1zrr s ASP 169 CO 0.00 -0.30 0.61 1.51 -0.00 0.00 0.00 175.17 177.00 1zrr s ASP 170 N -2.11 5.88 0.33 0.27 -4.77 -1.26 -4.85 116.67 110.15 1zrr s ASP 170 Ca 0.59 -2.97 0.17 0.00 -3.30 0.00 0.00 52.55 47.04 1zrr s ASP 170 Cb -0.10 -1.98 0.40 0.00 -1.09 0.00 0.00 42.92 40.14 1zrr s ASP 170 CO 0.15 -0.40 1.60 -0.29 0.70 0.00 0.00 175.17 176.93 1zrr h ILE 171 N 4.88 0.88 -0.94 2.11 2.10 -1.95 -3.10 117.51 121.50 1zrr h ILE 171 Ca 0.06 -1.87 0.00 0.00 1.08 0.00 0.00 64.86 64.12 1zrr h ILE 171 Cb 0.96 2.17 -0.05 0.00 -1.09 0.00 0.00 36.82 38.81 1zrr h ILE 171 CO 0.75 0.44 0.59 0.00 -1.08 0.00 0.00 178.15 178.85 1zrr h ALA 172 N 1.55 1.19 0.00 0.18 0.00 -1.89 -0.62 119.26 119.68 1zrr h ALA 172 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1zrr h ALA 172 Cb 1.13 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1zrr h ALA 172 CO 0.06 0.63 0.05 -1.13 0.00 0.00 0.00 179.25 178.85 1zrr n SER 173 N -4.39 0.00 0.11 0.00 3.41 -1.17 -1.31 113.62 110.27 1zrr n SER 173 Ca 0.11 0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.67 1zrr n SER 173 Cb 0.04 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zrr h ALA 174 N 1.54 0.03 -0.29 7.33 0.00 -1.29 -3.36 119.26 123.22 1zrr h ALA 174 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 54.91 53.88 1zrr h ALA 174 Cb 0.10 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1zrr h ALA 174 CO 0.00 0.90 -0.02 0.66 0.00 0.00 0.00 179.25 180.79 1zrr n TYR 175 N -3.60 0.98 0.30 0.00 4.02 -0.43 -4.79 117.16 113.64 1zrr n TYR 175 Ca -0.16 -1.18 0.19 0.00 -0.01 0.00 0.00 57.90 56.74 1zrr n TYR 175 Cb 1.07 -0.38 0.91 0.00 -0.02 0.00 0.00 39.34 40.92 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 1.36 0.00 -5.76 -0.72 0.13 -1.70 -3.41 132.00 121.89 1zrr h PRO 176 Ca 0.10 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 1zrr h PRO 176 Cb 1.53 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.57 1zrr h PRO 176 CO 0.29 0.00 0.13 0.50 -0.23 0.00 0.00 178.00 178.69 1zrr s ARG 177 N -3.85 4.27 -0.24 0.86 3.52 -1.26 -4.25 118.95 118.00 1zrr s ARG 177 Ca -0.02 0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 56.06 1zrr s ARG 177 Cb 0.11 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1zrr s ARG 177 CO 0.42 -0.17 0.70 -1.17 -0.81 0.00 0.00 175.30 174.27 1zrr s LEU 178 N 1.65 4.09 0.00 -0.88 2.96 -1.26 -4.91 118.68 120.33 1zrr s LEU 178 Ca 0.31 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1zrr s LEU 178 Cb -0.16 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.55 1zrr s LEU 178 CO 0.12 -0.39 0.00 0.00 -1.32 0.00 0.00 176.35 174.75