#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 4.30 -0.28 7.33 0.00 -1.20 -3.29 121.76 128.63 1zrr s ALA 2 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1zrr s ALA 2 Cb 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 23.12 21.50 1zrr s ALA 2 CO 0.00 -0.60 0.56 -1.17 0.00 0.00 0.00 175.76 174.54 1zrr s LEU 3 N -4.59 -1.09 -0.13 0.00 2.96 -0.76 -2.49 118.68 112.59 1zrr s LEU 3 Ca 0.58 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1zrr s LEU 3 Cb -0.09 1.95 -0.02 0.00 0.50 0.00 0.00 46.19 48.52 1zrr s LEU 3 CO 0.36 -0.25 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.17 1zrr s THR 4 N 2.79 3.45 -0.06 3.68 2.01 0.60 -3.25 115.64 124.86 1zrr s THR 4 Ca 0.07 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1zrr s THR 4 Cb -0.14 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.92 1zrr s THR 4 CO -0.18 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 1zrr s ILE 5 N 0.12 1.31 0.23 1.82 1.01 -1.11 0.70 121.20 125.28 1zrr s ILE 5 Ca -0.04 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1zrr s ILE 5 Cb -0.14 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1zrr s ILE 5 CO 0.04 0.39 -0.04 -0.36 0.00 0.00 0.00 174.94 174.97 1zrr s PHE 6 N 0.45 1.61 0.73 3.97 0.08 -1.19 -2.50 117.98 121.13 1zrr s PHE 6 Ca -0.12 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 1zrr s PHE 6 Cb -0.15 -0.91 0.11 0.00 -0.57 0.00 0.00 43.02 41.50 1zrr s PHE 6 CO 0.04 0.07 1.01 -1.12 -0.10 0.00 0.00 175.22 175.12 1zrr s SER 7 N -3.32 4.41 0.12 1.36 0.01 -1.25 -2.12 113.70 112.91 1zrr s SER 7 Ca 0.27 -0.05 0.18 0.00 1.31 0.00 0.00 55.95 57.66 1zrr s SER 7 Cb 0.04 -0.42 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 1zrr s SER 7 CO 0.08 -1.82 0.95 -0.37 0.41 0.00 0.00 173.24 172.48 1zrr h VAL 8 N -0.61 0.36 -0.10 3.43 -1.51 -1.91 -3.37 116.25 112.54 1zrr h VAL 8 Ca -0.40 -1.69 -0.21 0.00 -1.23 0.00 0.00 66.70 63.16 1zrr h VAL 8 Cb 1.28 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 32.35 1zrr h VAL 8 CO 0.46 0.21 -0.77 0.50 -1.23 0.00 0.00 177.57 176.73 1zrr h LYS 9 N 0.00 0.70 -3.44 5.19 3.11 -1.95 -3.44 116.57 116.74 1zrr h LYS 9 Ca -0.10 -0.62 -0.36 0.00 -2.81 0.00 0.00 60.65 56.76 1zrr h LYS 9 Cb 1.39 0.14 -0.37 0.00 -1.00 0.00 0.00 32.23 32.39 1zrr h LYS 9 CO 0.03 1.22 -0.74 -0.51 -2.81 0.00 0.00 179.45 176.65 1zrr s ASP 10 N -7.04 0.90 0.16 4.20 1.11 -1.26 -5.02 116.67 109.72 1zrr s ASP 10 Ca -0.11 0.04 0.12 0.00 0.18 0.00 0.00 52.55 52.79 1zrr s ASP 10 Cb 0.07 -0.17 -0.09 0.00 1.07 0.00 0.00 42.92 43.80 1zrr s ASP 10 CO 0.89 -0.20 1.22 1.55 1.18 0.00 0.00 175.17 179.80 1zrr h PRO 11 N 8.07 0.00 0.00 8.23 0.13 -1.86 -3.27 132.00 143.30 1zrr h PRO 11 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1zrr h PRO 11 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1zrr h PRO 11 CO 0.26 0.64 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1zrr n GLN 12 N -3.20 0.52 -4.04 0.86 -0.00 -1.26 -4.49 117.38 105.77 1zrr n GLN 12 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.67 1zrr n GLN 12 Cb 0.85 -1.47 -0.16 0.00 -0.00 0.00 0.00 30.24 29.46 1zrr n GLN 12 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1zrr s ASN 13 N -1.97 3.00 -0.15 2.61 2.47 -1.23 -5.10 114.94 114.56 1zrr s ASN 13 Ca 0.24 -0.64 -0.16 0.00 0.42 0.00 0.00 52.86 52.72 1zrr s ASN 13 Cb 0.11 -1.28 -0.04 0.00 -1.45 0.00 0.00 41.25 38.58 1zrr s ASN 13 CO 0.18 -0.06 0.37 -0.44 -3.72 0.00 0.00 177.10 173.43 1zrr s SER 14 N 1.40 6.53 0.05 -4.21 0.01 -1.26 -4.03 113.70 112.20 1zrr s SER 14 Ca 0.03 0.62 0.25 0.00 1.31 0.00 0.00 55.95 58.16 1zrr s SER 14 Cb -0.14 -2.23 0.49 0.00 0.21 0.00 0.00 66.02 64.36 1zrr s SER 14 CO -0.11 0.04 1.41 0.18 0.41 0.00 0.00 173.24 175.17 1zrr n LEU 15 N 3.73 0.55 -3.18 2.44 4.32 -1.04 -4.75 117.00 119.07 1zrr n LEU 15 Ca -0.10 0.15 0.02 0.00 -0.02 0.00 0.00 56.01 56.06 1zrr n LEU 15 Cb 0.52 -0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 42.06 1zrr n LEU 15 CO 0.41 0.03 0.11 0.86 -1.22 0.00 0.00 177.39 177.58 1zrr s TRP 16 N -3.08 -1.53 -0.20 -1.77 -0.00 -1.23 -5.07 118.94 106.07 1zrr s TRP 16 Ca 0.09 1.39 0.01 0.00 -0.00 0.00 0.00 56.10 57.60 1zrr s TRP 16 Cb 0.16 0.41 0.03 0.00 -0.00 0.00 0.00 33.47 34.06 1zrr s TRP 16 CO 0.70 -0.91 -0.18 -1.58 -0.00 0.00 0.00 176.95 174.98 1zrr s HIS 17 N 2.80 2.89 0.16 5.86 5.65 -1.26 -2.75 115.29 128.64 1zrr s HIS 17 Ca 0.17 -1.80 -0.24 0.00 0.25 0.00 0.00 55.06 53.44 1zrr s HIS 17 Cb -0.14 -1.92 0.06 0.00 -1.18 0.00 0.00 32.58 29.40 1zrr s HIS 17 CO -0.22 -0.83 0.71 -1.12 -0.65 0.00 0.00 174.74 172.63 1zrr s SER 18 N 1.25 -0.42 -0.44 9.88 0.01 -1.20 -5.08 113.70 117.70 1zrr s SER 18 Ca 0.02 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1zrr s SER 18 Cb -0.15 0.59 0.14 0.00 0.21 0.00 0.00 66.02 66.81 1zrr s SER 18 CO -0.11 -1.01 0.25 0.28 0.41 0.00 0.00 173.24 173.06 1zrr s THR 19 N -3.65 1.30 -0.02 1.44 -1.32 -1.26 -1.83 115.64 110.29 1zrr s THR 19 Ca 0.05 -2.54 0.06 0.00 -1.21 0.00 0.00 61.69 58.05 1zrr s THR 19 Cb -0.02 -1.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.04 1zrr s THR 19 CO -0.06 -0.92 -0.19 0.20 -2.21 0.00 0.00 174.62 171.44 1zrr s ASN 20 N 0.35 2.27 0.05 8.08 0.02 -1.21 -4.73 114.94 119.77 1zrr s ASN 20 Ca 0.18 -0.36 -0.01 0.00 -1.02 0.00 0.00 52.86 51.66 1zrr s ASN 20 Cb -0.23 -0.37 -0.27 0.00 0.02 0.00 0.00 41.25 40.41 1zrr s ASN 20 CO -0.01 0.22 1.05 0.00 0.02 0.00 0.00 177.10 178.38 1zrr h ALA 21 N 5.83 0.23 0.00 0.60 0.00 -1.99 -2.92 119.26 121.01 1zrr h ALA 21 Ca -0.36 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.51 1zrr h ALA 21 Cb 1.15 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1zrr h ALA 21 CO 0.48 1.11 -0.27 1.49 0.00 0.00 0.00 179.25 182.06 1zrr h GLU 22 N 0.06 0.00 -0.00 0.00 4.81 -1.98 -2.99 114.58 114.47 1zrr h GLU 22 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1zrr h GLU 22 Cb 1.95 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.33 1zrr h GLU 22 CO 0.17 0.64 0.07 1.49 -0.73 0.00 0.00 179.01 180.66 1zrr h GLU 23 N -1.00 0.00 0.15 1.92 4.57 -1.98 -0.72 114.58 117.51 1zrr h GLU 23 Ca -0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1zrr h GLU 23 Cb 0.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1zrr h GLU 23 CO -0.04 0.00 -0.07 0.82 -1.18 0.00 0.00 179.01 178.54 1zrr h ILE 24 N 0.00 0.48 -0.93 2.32 2.04 -1.58 0.85 117.51 120.68 1zrr h ILE 24 Ca 0.00 -1.10 0.14 0.00 1.00 0.00 0.00 64.86 64.89 1zrr h ILE 24 Cb 0.15 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 1zrr h ILE 24 CO -0.00 0.14 0.55 -0.61 0.00 0.00 0.00 178.15 178.23 1zrr h GLN 25 N -0.99 0.80 -0.02 2.37 4.15 -1.20 1.18 115.11 121.39 1zrr h GLN 25 Ca -0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1zrr h GLN 25 Cb 0.39 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1zrr h GLN 25 CO 0.03 0.53 -0.06 0.37 -1.93 0.00 0.00 178.83 177.78 1zrr h GLN 26 N 0.82 0.08 -0.06 1.69 4.15 -1.22 -2.06 115.11 118.51 1zrr h GLN 26 Ca 0.49 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.80 1zrr h GLN 26 Cb 0.58 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1zrr h GLN 26 CO -0.31 0.65 -0.17 1.96 -1.93 0.00 0.00 178.83 179.03 1zrr h GLN 27 N -0.48 0.23 0.45 1.69 4.20 -0.21 -1.86 115.11 119.13 1zrr h GLN 27 Ca -0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1zrr h GLN 27 Cb 0.65 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1zrr h GLN 27 CO 0.01 0.78 -0.21 1.25 -0.67 0.00 0.00 178.83 179.98 1zrr h LEU 28 N -0.28 -0.51 -1.60 1.46 5.85 0.13 -1.30 115.31 119.06 1zrr h LEU 28 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1zrr h LEU 28 Cb 0.79 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1zrr h LEU 28 CO 0.04 -0.32 0.00 0.78 -0.34 0.00 0.00 178.44 178.60 1zrr h ASN 29 N -0.66 0.00 0.16 1.25 -0.26 -1.47 -0.85 115.58 113.74 1zrr h ASN 29 Ca -0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1zrr h ASN 29 Cb 0.49 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1zrr h ASN 29 CO 0.10 0.00 -0.13 0.00 -1.06 0.00 0.00 177.43 176.34 1zrr h ALA 30 N 2.05 1.68 -0.26 -0.83 0.00 -0.35 0.58 119.26 122.15 1zrr h ALA 30 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1zrr h ALA 30 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1zrr h ALA 30 CO 0.00 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1zrr n LYS 31 N -4.24 1.84 -0.70 0.00 4.01 -0.33 -4.82 118.16 113.92 1zrr n LYS 31 Ca -0.03 -1.03 0.00 0.00 -0.51 0.00 0.00 58.31 56.74 1zrr n LYS 31 Cb 0.20 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 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 0.76 0.94 3.87 0.72 0.00 0.19 -5.05 105.19 106.63 1zrr n GLY 32 Ca 0.09 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 5.19 0.52 1.61 1.01 -1.19 -4.53 120.40 121.01 1zrr s VAL 33 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1zrr s VAL 33 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1zrr s VAL 33 CO 0.00 0.38 0.88 -0.60 0.00 0.00 0.00 175.10 175.77 1zrr s ARG 34 N -1.67 3.62 -0.07 2.72 3.52 -1.15 -4.03 118.95 121.89 1zrr s ARG 34 Ca 0.28 0.49 -0.15 0.00 -0.13 0.00 0.00 55.73 56.22 1zrr s ARG 34 Cb -0.14 -2.26 0.03 0.00 -1.56 0.00 0.00 34.95 31.03 1zrr s ARG 34 CO 0.16 -0.32 0.35 0.12 -0.81 0.00 0.00 175.30 174.81 1zrr s PHE 35 N -2.84 -0.30 0.13 5.12 5.36 -1.26 -4.25 117.98 119.95 1zrr s PHE 35 Ca 0.51 0.60 -0.25 0.00 -0.96 0.00 0.00 56.93 56.84 1zrr s PHE 35 Cb -0.11 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.78 1zrr s PHE 35 CO 0.45 -0.33 0.75 -1.21 -1.46 0.00 0.00 175.22 173.43 1zrr s GLU 36 N -0.72 1.22 -0.21 10.12 2.02 -1.25 -4.96 118.70 124.92 1zrr s GLU 36 Ca -0.08 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 1zrr s GLU 36 Cb -0.04 0.51 0.11 0.00 0.10 0.00 0.00 34.13 34.81 1zrr s GLU 36 CO 0.03 -0.54 0.30 1.03 0.02 0.00 0.00 175.26 176.11 1zrr s ARG 37 N -3.53 0.26 0.20 1.61 0.52 -1.26 -3.27 118.95 113.48 1zrr s ARG 37 Ca 0.05 0.45 0.08 0.00 -0.52 0.00 0.00 55.73 55.80 1zrr s ARG 37 Cb -0.02 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 1zrr s ARG 37 CO -0.07 -0.59 -0.04 -1.58 0.02 0.00 0.00 175.30 173.05 1zrr s TRP 38 N 2.45 2.73 0.10 -0.53 0.51 -1.26 -4.97 118.94 117.97 1zrr s TRP 38 Ca 0.08 -0.19 -0.04 0.00 -2.12 0.00 0.00 56.10 53.84 1zrr s TRP 38 Cb -0.15 -1.30 -0.03 0.00 -0.81 0.00 0.00 33.47 31.19 1zrr s TRP 38 CO -0.13 0.54 0.09 1.14 -0.51 0.00 0.00 176.95 178.08 1zrr s GLN 39 N -3.10 0.83 0.24 4.98 -2.07 -1.26 -4.67 119.66 114.61 1zrr s GLN 39 Ca 0.28 -1.22 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 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 0.18 -0.23 0.32 0.00 -1.32 0.00 0.00 175.29 174.23 1zrr s ALA 40 N -3.95 3.86 -0.30 2.60 0.00 -1.26 -5.01 121.76 117.70 1zrr s ALA 40 Ca 0.13 -1.25 0.21 0.00 0.00 0.00 0.00 51.96 51.05 1zrr s ALA 40 Cb 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 23.12 21.24 1zrr s ALA 40 CO -0.05 0.27 0.58 -0.25 0.00 0.00 0.00 175.76 176.31 1zrr n ASP 41 N -1.29 0.39 -4.93 0.00 8.00 -1.26 -4.93 116.55 112.52 1zrr n ASP 41 Ca -0.09 -0.29 -0.25 0.00 0.71 0.00 0.00 54.79 54.88 1zrr n ASP 41 Cb 0.57 1.69 -0.01 0.00 -0.02 0.00 0.00 41.12 43.35 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1zrr s ARG 42 N -3.32 3.50 -0.22 -1.24 6.06 -1.26 -5.06 118.95 117.42 1zrr s ARG 42 Ca -0.03 -0.21 -0.18 0.00 -2.50 0.00 0.00 55.73 52.81 1zrr s ARG 42 Cb 0.14 -2.61 -0.03 0.00 0.06 0.00 0.00 34.95 32.51 1zrr s ARG 42 CO 0.87 0.08 0.49 0.34 -2.50 0.00 0.00 175.30 174.58 1zrr s ASP 43 N -4.00 6.50 0.53 -2.12 -1.08 -1.26 -5.06 116.67 110.18 1zrr s ASP 43 Ca 0.42 0.60 -0.02 0.00 -0.52 0.00 0.00 52.55 53.02 1zrr s ASP 43 Cb -0.10 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.10 1zrr s ASP 43 CO 0.37 -0.18 0.79 -0.76 0.52 0.00 0.00 175.17 175.91 1zrr s LEU 44 N 1.73 3.38 0.00 -1.34 1.43 -1.26 -5.04 118.68 117.58 1zrr s LEU 44 Ca 0.22 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1zrr s LEU 44 Cb -0.15 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1zrr s LEU 44 CO 0.09 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1zrr n GLY 45 N -2.35 0.61 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.51 1zrr n GLY 45 Ca 0.04 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 46 N -1.07 2.64 -0.57 4.61 0.00 -1.26 -4.91 121.76 121.20 1zrr s ALA 46 Ca 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 49.84 1zrr s ALA 46 Cb 0.00 -4.50 0.15 0.00 0.00 0.00 0.00 23.12 18.77 1zrr s ALA 46 CO 0.00 -3.66 0.38 0.00 0.00 0.00 0.00 175.76 172.48 1zrr s ALA 47 N 5.43 3.47 0.10 0.00 0.00 -1.26 -4.91 121.76 124.59 1zrr s ALA 47 Ca 0.46 -3.12 0.14 0.00 0.00 0.00 0.00 51.96 49.45 1zrr s ALA 47 Cb -0.01 -2.57 0.28 0.00 0.00 0.00 0.00 23.12 20.81 1zrr s ALA 47 CO -0.06 -2.03 1.54 -1.00 0.00 0.00 0.00 175.76 174.21 1zrr h PRO 48 N 7.19 0.00 -6.49 0.00 0.13 -2.06 -3.44 132.00 127.33 1zrr h PRO 48 Ca -0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.42 1zrr h PRO 48 Cb 0.97 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.81 1zrr h PRO 48 CO 0.71 0.59 -0.88 0.95 -0.23 0.00 0.00 178.00 179.14 1zrr s THR 49 N -3.26 1.96 -0.36 1.56 -4.23 -1.26 -5.01 115.64 105.03 1zrr s THR 49 Ca 0.01 -1.17 0.21 0.00 -1.18 0.00 0.00 61.69 59.56 1zrr s THR 49 Cb 0.10 -1.65 0.26 0.00 1.34 0.00 0.00 72.50 72.55 1zrr s THR 49 CO 0.74 0.45 1.54 0.00 -0.54 0.00 0.00 174.62 176.82 1zrr h ALA 50 N 5.23 0.90 -1.08 3.99 0.00 -1.97 -3.30 119.26 123.03 1zrr h ALA 50 Ca -0.43 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 50 Cb 1.13 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1zrr h ALA 50 CO 0.46 0.15 0.64 1.49 0.00 0.00 0.00 179.25 181.99 1zrr h GLU 51 N 0.00 0.21 0.08 0.00 4.81 -1.99 1.56 114.58 119.25 1zrr h GLU 51 Ca -0.00 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 1zrr h GLU 51 Cb 1.09 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1zrr h GLU 51 CO 0.02 0.14 -1.12 1.79 -0.73 0.00 0.00 179.01 179.10 1zrr h THR 52 N 0.21 1.48 -0.18 0.32 1.35 -2.00 -2.96 112.91 111.14 1zrr h THR 52 Ca 0.77 -2.87 -0.05 0.00 -0.55 0.00 0.00 66.41 63.71 1zrr h THR 52 Cb 1.98 2.76 -0.00 0.00 -1.73 0.00 0.00 68.15 71.16 1zrr h THR 52 CO -0.57 0.84 -0.08 0.58 -0.25 0.00 0.00 175.52 176.04 1zrr h VAL 53 N 0.11 1.31 -0.51 6.82 2.07 0.18 -2.74 116.25 123.49 1zrr h VAL 53 Ca -0.11 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1zrr h VAL 53 Cb 1.81 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1zrr h VAL 53 CO 0.18 0.34 0.24 0.40 0.02 0.00 0.00 177.57 178.75 1zrr h ILE 54 N 0.05 1.17 -0.03 4.57 1.08 0.02 -0.85 117.51 123.53 1zrr h ILE 54 Ca 0.04 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1zrr h ILE 54 Cb 0.56 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1zrr h ILE 54 CO 0.03 0.20 -0.14 0.00 -0.69 0.00 0.00 178.15 177.54 1zrr h ALA 55 N 1.56 1.72 0.00 1.87 0.00 -1.35 1.33 119.26 124.38 1zrr h ALA 55 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1zrr h ALA 55 Cb 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1zrr h ALA 55 CO -0.02 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.40 1zrr h ALA 56 N 1.82 0.98 -0.00 0.00 0.00 -0.86 -3.18 119.26 118.02 1zrr h ALA 56 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 56 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1zrr h ALA 56 CO 0.02 0.05 -0.31 0.66 0.00 0.00 0.00 179.25 179.66 1zrr n TYR 57 N -3.12 0.00 -0.34 0.00 4.01 -0.36 -4.55 117.16 112.79 1zrr n TYR 57 Ca 0.03 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.99 1zrr n TYR 57 Cb 0.47 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 39.98 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 0.71 0.40 -0.69 -0.72 1.08 0.17 0.28 115.11 116.34 1zrr h GLN 58 Ca 0.00 -0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1zrr h GLN 58 Cb 0.31 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.56 1zrr h GLN 58 CO 0.00 0.27 0.26 1.12 -0.95 0.00 0.00 178.83 179.53 1zrr h HIS 59 N 0.41 0.46 0.82 2.96 2.07 -1.80 1.55 115.15 121.61 1zrr h HIS 59 Ca 0.65 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.16 1zrr h HIS 59 Cb 1.55 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 31.44 1zrr h HIS 59 CO -0.00 0.08 -0.39 0.00 -3.07 0.00 0.00 177.93 174.55 1zrr h ALA 60 N 1.49 -1.10 0.00 6.11 0.00 -0.77 -2.78 119.26 122.21 1zrr h ALA 60 Ca 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1zrr h ALA 60 Cb 0.50 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1zrr h ALA 60 CO -0.36 -1.03 -0.07 -0.84 0.00 0.00 0.00 179.25 176.95 1zrr h ILE 61 N -1.28 0.86 -0.21 0.00 -0.00 -1.31 -0.35 117.51 115.21 1zrr h ILE 61 Ca -0.11 -0.27 0.06 0.00 -0.00 0.00 0.00 64.86 64.54 1zrr h ILE 61 Cb 0.85 1.15 -0.01 0.00 -0.00 0.00 0.00 36.82 38.81 1zrr h ILE 61 CO 0.18 0.07 0.17 -0.78 -0.00 0.00 0.00 178.15 177.79 1zrr h ASP 62 N 0.00 0.00 -0.12 2.16 1.82 0.25 -0.74 116.42 119.79 1zrr h ASP 62 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1zrr h ASP 62 Cb 0.15 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.17 1zrr h ASP 62 CO 0.01 0.00 -0.71 0.11 -1.61 0.00 0.00 179.24 177.04 1zrr h LYS 63 N 0.00 0.69 -0.40 0.28 6.56 -0.84 -2.75 116.57 120.11 1zrr h LYS 63 Ca 0.10 -0.58 -0.05 0.00 -1.06 0.00 0.00 60.65 59.06 1zrr h LYS 63 Cb 0.43 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1zrr h LYS 63 CO -0.00 1.19 0.02 -0.07 -2.06 0.00 0.00 179.45 178.54 1zrr h LEU 64 N 0.37 0.58 -1.15 2.94 4.07 -1.19 -1.79 115.31 119.15 1zrr h LEU 64 Ca -0.05 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 57.71 1zrr h LEU 64 Cb 1.35 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1zrr h LEU 64 CO 0.15 0.63 -0.41 0.58 -1.08 0.00 0.00 178.44 178.31 1zrr h VAL 65 N 0.59 1.18 0.31 1.22 2.07 -1.24 0.23 116.25 120.61 1zrr h VAL 65 Ca 0.13 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1zrr h VAL 65 Cb 0.34 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1zrr h VAL 65 CO 0.01 0.40 -0.20 0.00 0.02 0.00 0.00 177.57 177.80 1zrr h ALA 66 N 1.59 -0.48 0.00 1.67 0.00 -1.01 0.50 119.26 121.53 1zrr h ALA 66 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 66 Cb 0.77 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1zrr h ALA 66 CO 0.05 -0.78 -0.55 1.49 0.00 0.00 0.00 179.25 179.46 1zrr h GLU 67 N -0.49 0.00 -0.50 0.00 4.81 -1.54 -3.35 114.58 113.51 1zrr h GLU 67 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1zrr h GLU 67 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1zrr h GLU 67 CO 0.02 0.63 0.00 1.63 -0.73 0.00 0.00 179.01 180.56 1zrr n LYS 68 N -4.58 1.67 0.00 1.92 4.76 0.80 -4.92 118.16 117.82 1zrr n LYS 68 Ca -0.16 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 1zrr n LYS 68 Cb 0.43 -1.39 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 0.51 0.00 3.82 0.72 0.00 0.18 -4.79 105.19 105.62 1zrr n GLY 69 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1zrr n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zrr s TYR 70 N 0.00 2.92 0.00 1.61 2.02 -1.26 -5.02 117.35 117.62 1zrr s TYR 70 Ca 0.00 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1zrr s TYR 70 Cb 0.00 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 1zrr s TYR 70 CO 0.00 -1.68 0.06 1.04 -1.57 0.00 0.00 175.55 173.40 1zrr n GLN 71 N -3.36 0.00 -3.83 -0.62 6.02 -1.25 -4.84 117.38 109.49 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 0.57 -0.56 -0.03 0.00 1.02 0.00 0.00 30.24 31.24 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 -2.14 5.66 -0.01 1.08 1.04 -1.22 -4.95 113.70 113.15 1zrr s SER 72 Ca 0.00 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1zrr s SER 72 Cb 0.00 -1.27 -0.00 0.00 0.10 0.00 0.00 66.02 64.85 1zrr s SER 72 CO 0.00 -0.25 -0.06 0.86 0.98 0.00 0.00 173.24 174.77 1zrr s TRP 73 N -2.18 0.56 0.31 5.02 -0.11 -1.26 -0.02 118.94 121.26 1zrr s TRP 73 Ca 0.39 -0.11 -0.14 0.00 1.22 0.00 0.00 56.10 57.46 1zrr s TRP 73 Cb -0.08 -0.38 0.02 0.00 -1.50 0.00 0.00 33.47 31.54 1zrr s TRP 73 CO 0.28 -0.02 0.62 0.34 -4.62 0.00 0.00 176.95 173.54 1zrr s ASP 74 N -0.07 0.04 -0.00 5.86 2.15 -1.08 -4.93 116.67 118.64 1zrr s ASP 74 Ca 0.01 -0.98 0.08 0.00 0.43 0.00 0.00 52.55 52.09 1zrr s ASP 74 Cb -0.03 0.70 -0.02 0.00 -0.30 0.00 0.00 42.92 43.27 1zrr s ASP 74 CO -0.00 -1.36 -0.24 0.54 -0.17 0.00 0.00 175.17 173.94 1zrr s VAL 75 N -3.42 2.25 -0.30 1.11 0.11 -1.26 -2.21 120.40 116.68 1zrr s VAL 75 Ca 0.19 -1.13 -0.10 0.00 -2.93 0.00 0.00 61.98 58.00 1zrr s VAL 75 Cb -0.03 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 1zrr s VAL 75 CO 0.11 0.51 0.17 -0.51 -3.33 0.00 0.00 175.10 172.05 1zrr s ILE 76 N -0.69 4.85 -0.30 7.04 2.07 0.18 -4.91 121.20 129.44 1zrr s ILE 76 Ca 0.11 -0.22 -0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1zrr s ILE 76 Cb -0.10 -3.42 0.19 0.00 0.13 0.00 0.00 42.46 39.26 1zrr s ILE 76 CO 0.00 0.13 0.85 -0.94 -1.91 0.00 0.00 174.94 173.07 1zrr s SER 77 N 1.67 -0.94 0.54 4.50 1.04 -1.26 -1.34 113.70 117.91 1zrr s SER 77 Ca 0.06 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.69 1zrr s SER 77 Cb -0.17 1.62 0.02 0.00 0.10 0.00 0.00 66.02 67.59 1zrr s SER 77 CO 0.08 -0.17 0.16 -0.22 0.98 0.00 0.00 173.24 174.07 1zrr s LEU 78 N 2.90 2.39 0.25 2.42 2.96 -1.26 -4.98 118.68 123.36 1zrr s LEU 78 Ca 0.18 -1.53 -0.11 0.00 -0.22 0.00 0.00 54.13 52.45 1zrr s LEU 78 Cb -0.07 -0.87 -0.08 0.00 0.50 0.00 0.00 46.19 45.67 1zrr s LEU 78 CO -0.23 -1.00 0.60 -0.60 -1.32 0.00 0.00 176.35 173.80 1zrr s ARG 79 N -4.06 3.85 0.00 1.98 3.52 -1.26 -4.28 118.95 118.71 1zrr s ARG 79 Ca 0.14 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1zrr s ARG 79 Cb -0.01 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1zrr s ARG 79 CO 0.09 0.27 0.38 0.00 -0.81 0.00 0.00 175.30 175.23 1zrr n ALA 80 N -0.20 1.51 0.10 6.12 0.00 -1.26 -1.76 120.51 125.03 1zrr n ALA 80 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1zrr n ALA 80 Cb 0.53 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 1zrr n ALA 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1zrr h ASP 81 N 0.00 0.00 -2.60 0.00 3.58 -1.94 -3.44 116.42 112.01 1zrr h ASP 81 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1zrr h ASP 81 Cb 0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 1zrr h ASP 81 CO 0.00 0.76 1.06 0.54 -2.88 0.00 0.00 179.24 178.72 1zrr s ASN 82 N -6.62 6.56 0.00 2.28 4.22 -0.72 -4.86 114.94 115.80 1zrr s ASN 82 Ca 0.02 2.52 0.30 0.00 -2.14 0.00 0.00 52.86 53.56 1zrr s ASN 82 Cb 0.09 -2.55 1.46 0.00 1.28 0.00 0.00 41.25 41.53 1zrr s ASN 82 CO 0.78 -0.94 2.01 -0.81 -2.04 0.00 0.00 177.10 176.10 1zrr n PRO 83 N 6.10 0.58 -0.09 3.55 -0.04 -1.26 -3.45 135.00 140.38 1zrr n PRO 83 Ca 0.17 -0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1zrr n PRO 83 Cb 0.40 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.68 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.14 1.63 0.02 0.54 6.02 -1.26 -4.12 117.38 119.07 1zrr n GLN 84 Ca 0.15 -0.96 -0.10 0.00 -0.01 0.00 0.00 57.00 56.08 1zrr n GLN 84 Cb 0.24 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 30.13 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1zrr h LYS 85 N 1.80 -0.10 -0.45 -1.09 2.10 -1.97 -1.57 116.57 115.28 1zrr h LYS 85 Ca 0.00 0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1zrr h LYS 85 Cb 0.40 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1zrr h LYS 85 CO 0.00 -0.07 -0.01 1.49 -2.00 0.00 0.00 179.45 178.86 1zrr h GLU 86 N -0.11 0.80 0.34 0.07 4.81 -1.89 -0.85 114.58 117.76 1zrr h GLU 86 Ca 0.05 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1zrr h GLU 86 Cb 0.18 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1zrr h GLU 86 CO -0.12 0.87 -0.50 0.00 -0.73 0.00 0.00 179.01 178.53 1zrr h ALA 87 N 0.91 -1.04 -0.46 2.92 0.00 -1.67 0.98 119.26 120.91 1zrr h ALA 87 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zrr h ALA 87 Cb 0.51 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1zrr h ALA 87 CO 0.03 -1.13 0.20 -0.07 0.00 0.00 0.00 179.25 178.27 1zrr h LEU 88 N -0.88 0.61 -1.97 0.00 4.07 -1.33 -1.93 115.31 113.87 1zrr h LEU 88 Ca -0.03 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1zrr h LEU 88 Cb 0.81 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 1zrr h LEU 88 CO -0.15 0.59 0.05 -0.09 -1.08 0.00 0.00 178.44 177.77 1zrr h ARG 89 N 0.59 0.04 0.77 1.13 2.43 -0.73 -2.41 114.38 116.20 1zrr h ARG 89 Ca 0.15 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1zrr h ARG 89 Cb 0.15 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1zrr h ARG 89 CO -0.02 0.03 -0.37 1.49 -1.51 0.00 0.00 179.97 179.59 1zrr h GLU 90 N 0.04 -1.00 -0.64 0.20 4.81 0.18 -2.16 114.58 116.02 1zrr h GLU 90 Ca 0.03 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.47 1zrr h GLU 90 Cb 0.08 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1zrr h GLU 90 CO -0.00 -0.67 0.43 0.87 -0.73 0.00 0.00 179.01 178.91 1zrr h LYS 91 N -1.11 0.26 -0.10 1.92 1.57 -1.42 0.21 116.57 117.90 1zrr h LYS 91 Ca -0.11 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1zrr h LYS 91 Cb 0.80 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1zrr h LYS 91 CO 0.17 0.18 -0.12 0.74 -0.57 0.00 0.00 179.45 179.85 1zrr h PHE 92 N 0.27 0.16 -0.93 -1.35 -1.00 -1.12 -2.70 116.94 110.27 1zrr h PHE 92 Ca 0.31 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 61.25 1zrr h PHE 92 Cb 0.82 -0.05 -0.11 0.00 3.61 0.00 0.00 35.95 40.23 1zrr h PHE 92 CO -0.00 0.29 0.51 -0.07 -1.61 0.00 0.00 178.31 177.43 1zrr h LEU 93 N 0.15 0.61 -9.45 1.54 3.38 0.08 -3.27 115.31 108.36 1zrr h LEU 93 Ca 0.03 0.11 -0.61 0.00 0.09 0.00 0.00 57.88 57.50 1zrr h LEU 93 Cb 0.32 0.01 0.12 0.00 0.09 0.00 0.00 40.66 41.19 1zrr h LEU 93 CO 0.02 0.20 0.03 -3.20 0.09 0.00 0.00 178.44 175.58 1zrr n ASN 94 N -4.86 0.89 -4.76 -0.43 4.05 -1.02 -3.88 115.26 105.25 1zrr n ASN 94 Ca 0.21 1.13 -0.28 0.00 0.45 0.00 0.00 54.58 56.09 1zrr n ASN 94 Cb 0.55 -1.25 0.10 0.00 1.23 0.00 0.00 39.78 40.40 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1zrr s GLU 95 N -1.58 1.77 0.00 1.20 -1.05 -1.24 -4.67 118.70 113.13 1zrr s GLU 95 Ca 0.60 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 1zrr s GLU 95 Cb -0.69 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 1zrr s GLU 95 CO 0.59 -1.66 0.00 -2.39 0.95 0.00 0.00 175.26 172.76 1zrr n HIS 96 N -3.29 -0.06 -3.64 4.83 1.44 -0.89 -4.65 115.22 108.96 1zrr n HIS 96 Ca 0.09 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.70 1zrr n HIS 96 Cb 0.61 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.65 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 -2.11 0.00 0.19 0.61 -1.32 -1.26 -2.48 115.64 109.26 1zrr s THR 97 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 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 0.05 -1.00 -2.21 0.00 0.00 174.62 171.46 1zrr s HIS 98 N 0.59 2.93 -1.30 9.09 0.09 -1.26 -2.10 115.29 123.33 1zrr s HIS 98 Ca -0.01 -0.11 0.27 0.00 -0.00 0.00 0.00 55.06 55.20 1zrr s HIS 98 Cb -0.05 -1.40 1.29 0.00 -0.00 0.00 0.00 32.58 32.42 1zrr s HIS 98 CO -0.06 0.53 1.89 0.41 -0.00 0.00 0.00 174.74 177.52 1zrr n GLY 99 N -0.32 -1.25 3.56 -2.22 0.00 -1.24 -1.71 105.19 102.01 1zrr n GLY 99 Ca -0.09 -0.12 -0.26 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 -2.70 1.85 0.35 1.61 2.02 -1.26 -4.78 118.70 115.78 1zrr s GLU 100 Ca 0.22 -2.05 -0.26 0.00 0.02 0.00 0.00 54.97 52.90 1zrr s GLU 100 Cb 0.18 -1.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.02 1zrr s GLU 100 CO 0.43 -0.13 1.04 0.16 0.02 0.00 0.00 175.26 176.78 1zrr s ASP 101 N -3.63 7.02 -0.65 -0.19 1.47 -1.26 -3.94 116.67 115.49 1zrr s ASP 101 Ca 0.34 2.06 -0.11 0.00 1.18 0.00 0.00 52.55 56.02 1zrr s ASP 101 Cb 0.09 -2.60 0.17 0.00 -0.34 0.00 0.00 42.92 40.24 1zrr s ASP 101 CO 0.16 -0.30 0.56 -1.61 0.68 0.00 0.00 175.17 174.65 1zrr s GLU 102 N -2.09 3.02 -0.20 2.11 2.02 -0.99 -4.96 118.70 117.60 1zrr s GLU 102 Ca 0.52 -2.18 -0.13 0.00 0.02 0.00 0.00 54.97 53.21 1zrr s GLU 102 Cb -0.24 -4.15 -0.05 0.00 0.10 0.00 0.00 34.13 29.79 1zrr s GLU 102 CO 0.31 -1.25 0.25 0.08 0.02 0.00 0.00 175.26 174.67 1zrr s VAL 103 N 0.66 5.31 -0.06 2.63 1.01 -1.26 -2.95 120.40 125.74 1zrr s VAL 103 Ca 0.12 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1zrr s VAL 103 Cb -0.19 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1zrr s VAL 103 CO -0.04 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.31 1zrr s ARG 104 N 0.89 1.45 -0.15 2.72 1.04 -1.19 -4.68 118.95 119.02 1zrr s ARG 104 Ca 0.13 -0.32 -0.05 0.00 -1.04 0.00 0.00 55.73 54.45 1zrr s ARG 104 Cb -0.13 -1.24 -0.03 0.00 -2.04 0.00 0.00 34.95 31.50 1zrr s ARG 104 CO 0.04 -0.01 0.01 0.12 -0.04 0.00 0.00 175.30 175.42 1zrr s PHE 105 N 0.75 3.15 -0.06 5.89 2.19 -1.18 -3.03 117.98 125.68 1zrr s PHE 105 Ca -0.13 -0.05 -0.22 0.00 0.33 0.00 0.00 56.93 56.86 1zrr s PHE 105 Cb -0.15 -1.97 -0.04 0.00 -1.31 0.00 0.00 43.02 39.54 1zrr s PHE 105 CO 0.02 0.14 0.64 0.12 1.83 0.00 0.00 175.22 177.98 1zrr s PHE 106 N 0.11 3.58 -0.12 10.12 5.99 -1.26 -0.11 117.98 136.31 1zrr s PHE 106 Ca 0.02 1.18 0.06 0.00 0.00 0.00 0.00 56.93 58.19 1zrr s PHE 106 Cb -0.13 -2.73 -0.11 0.00 0.00 0.00 0.00 43.02 40.05 1zrr s PHE 106 CO 0.02 0.15 -0.03 0.28 -0.00 0.00 0.00 175.22 175.63 1zrr n VAL 107 N 3.58 0.74 -3.53 3.12 0.31 -0.22 -4.50 118.33 117.83 1zrr n VAL 107 Ca -0.03 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.78 1zrr n VAL 107 Cb 0.51 -0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.26 0.88 0.00 5.55 -6.30 -0.68 -4.93 118.70 110.95 1zrr s GLU 108 Ca -0.11 0.11 0.00 0.00 -2.50 0.00 0.00 54.97 52.47 1zrr s GLU 108 Cb 0.04 0.41 0.00 0.00 0.00 0.00 0.00 34.13 34.58 1zrr s GLU 108 CO 0.38 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1zrr n GLY 109 N 0.64 -0.96 3.54 -1.50 0.00 -1.26 0.20 105.19 105.84 1zrr n GLY 109 Ca -0.15 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.06 2.88 0.00 4.61 0.00 -1.26 -4.73 121.76 120.20 1zrr s ALA 110 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1zrr s ALA 110 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1zrr s ALA 110 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1zrr n GLY 111 N -0.07 3.16 3.25 0.00 0.00 -1.26 -4.97 105.19 105.31 1zrr n GLY 111 Ca -0.10 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 1.29 -0.42 0.99 2.96 -1.26 -4.80 118.68 117.44 1zrr s LEU 112 Ca 0.00 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.16 1zrr s LEU 112 Cb 0.00 1.04 0.13 0.00 0.50 0.00 0.00 46.19 47.87 1zrr s LEU 112 CO 0.00 -0.79 0.23 -0.36 -1.32 0.00 0.00 176.35 174.11 1zrr s PHE 113 N -3.91 1.78 0.05 5.38 0.08 -1.16 -4.90 117.98 115.29 1zrr s PHE 113 Ca 0.10 -2.27 -0.30 0.00 0.12 0.00 0.00 56.93 54.58 1zrr s PHE 113 Cb 0.04 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1zrr s PHE 113 CO -0.06 -0.79 0.99 0.00 -0.10 0.00 0.00 175.22 175.25 1zrr s LEU 115 N 0.58 1.08 -0.43 0.00 2.01 -0.46 -4.62 118.68 116.84 1zrr s LEU 115 Ca 0.50 -1.14 -0.16 0.00 0.01 0.00 0.00 54.13 53.34 1zrr s LEU 115 Cb -0.23 -0.52 0.03 0.00 0.01 0.00 0.00 46.19 45.49 1zrr s LEU 115 CO 0.29 -0.38 0.39 -2.28 1.01 0.00 0.00 176.35 175.37 1zrr s HIS 116 N 1.93 3.20 -0.20 0.29 2.46 -1.16 -1.24 115.29 120.57 1zrr s HIS 116 Ca 0.05 -0.56 0.00 0.00 0.47 0.00 0.00 55.06 55.03 1zrr s HIS 116 Cb -0.17 -2.86 0.05 0.00 -0.13 0.00 0.00 32.58 29.47 1zrr s HIS 116 CO -0.22 -0.69 -0.07 0.42 -2.47 0.00 0.00 174.74 171.70 1zrr s ILE 117 N 1.90 1.45 0.00 0.89 1.09 -1.21 -3.73 121.20 121.59 1zrr s ILE 117 Ca 0.08 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 1zrr s ILE 117 Cb -0.19 -1.62 0.00 0.00 -1.06 0.00 0.00 42.46 39.59 1zrr s ILE 117 CO 0.11 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.62 1zrr n GLY 118 N 4.73 0.74 3.16 6.18 0.00 -1.26 -3.86 105.19 114.88 1zrr n GLY 118 Ca -0.13 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1zrr n GLY 118 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zrr s ASP 119 N -4.00 6.26 0.14 1.61 3.84 -1.26 -4.97 116.67 118.29 1zrr s ASP 119 Ca 0.00 -3.64 -0.25 0.00 -0.00 0.00 0.00 52.55 48.65 1zrr s ASP 119 Cb 0.00 -1.98 0.07 0.00 -1.38 0.00 0.00 42.92 39.63 1zrr s ASP 119 CO 0.00 -0.22 0.94 -1.83 -0.00 0.00 0.00 175.17 174.06 1zrr s GLU 120 N -1.25 1.18 0.09 2.11 -1.05 -1.25 -4.65 118.70 113.87 1zrr s GLU 120 Ca 0.28 -0.63 0.06 0.00 -0.15 0.00 0.00 54.97 54.52 1zrr s GLU 120 Cb -0.08 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1zrr s GLU 120 CO -0.11 -0.54 -0.16 0.08 0.95 0.00 0.00 175.26 175.48 1zrr s VAL 121 N -3.29 1.29 -0.08 1.83 1.01 -0.90 -3.32 120.40 116.93 1zrr s VAL 121 Ca 0.11 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1zrr s VAL 121 Cb -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1zrr s VAL 121 CO 0.01 -0.22 -0.17 -0.36 0.00 0.00 0.00 175.10 174.36 1zrr s PHE 122 N -1.40 1.88 -0.21 5.22 0.40 -0.37 -3.19 117.98 120.31 1zrr s PHE 122 Ca 0.02 -0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1zrr s PHE 122 Cb -0.09 -1.32 0.06 0.00 0.51 0.00 0.00 43.02 42.18 1zrr s PHE 122 CO 0.03 -0.34 -0.02 -0.65 0.70 0.00 0.00 175.22 174.94 1zrr s GLN 123 N 0.56 1.26 -0.12 0.44 -0.21 0.22 -1.35 119.66 120.45 1zrr s GLN 123 Ca -0.16 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.43 1zrr s GLN 123 Cb -0.17 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 1zrr s GLN 123 CO 0.05 -0.59 0.09 0.08 -2.12 0.00 0.00 175.29 172.81 1zrr s VAL 124 N 1.59 5.11 -0.67 1.09 1.01 -1.17 0.22 120.40 127.58 1zrr s VAL 124 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1zrr s VAL 124 Cb -0.18 -3.23 0.17 0.00 0.00 0.00 0.00 36.38 33.15 1zrr s VAL 124 CO -0.07 0.59 0.49 0.18 0.00 0.00 0.00 175.10 176.29 1zrr n LEU 125 N 2.30 2.66 -3.45 3.92 4.32 -1.04 -2.99 117.00 122.73 1zrr n LEU 125 Ca -0.19 -5.13 0.01 0.00 -0.02 0.00 0.00 56.01 50.68 1zrr n LEU 125 Cb 0.54 -0.60 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 1zrr n LEU 125 CO 0.31 1.79 0.45 0.00 -1.22 0.00 0.00 177.39 178.71 1zrr s GLU 127 N 2.68 2.16 0.53 0.00 -6.30 -1.26 -4.99 118.70 111.52 1zrr s GLU 127 Ca -0.02 -1.59 0.05 0.00 -2.50 0.00 0.00 54.97 50.92 1zrr s GLU 127 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 34.13 30.66 1zrr s GLU 127 CO -0.18 -0.88 0.38 0.15 0.02 0.00 0.00 175.26 174.76 1zrr s LYS 128 N 1.18 2.26 0.00 4.30 1.02 -1.26 -4.91 119.74 122.33 1zrr s LYS 128 Ca 0.03 -2.01 0.00 0.00 0.02 0.00 0.00 55.97 54.01 1zrr s LYS 128 Cb -0.21 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1zrr s LYS 128 CO -0.03 -0.58 0.66 0.27 -0.92 0.00 0.00 175.35 174.75 1zrr n ASN 129 N -1.73 0.00 -4.79 2.83 2.04 -1.26 -4.62 115.26 107.73 1zrr n ASN 129 Ca -0.02 0.17 -0.34 0.00 -0.44 0.00 0.00 54.58 53.95 1zrr n ASN 129 Cb 0.64 -0.17 0.00 0.00 -2.53 0.00 0.00 39.78 37.72 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 1zrr s ASP 130 N -2.33 5.82 0.28 0.53 3.84 -1.26 -4.09 116.67 119.46 1zrr s ASP 130 Ca 0.00 1.99 0.10 0.00 -0.00 0.00 0.00 52.55 54.64 1zrr s ASP 130 Cb 0.00 -2.56 -0.05 0.00 -1.38 0.00 0.00 42.92 38.94 1zrr s ASP 130 CO 0.00 -1.15 -0.04 -1.48 -0.00 0.00 0.00 175.17 172.50 1zrr s LEU 131 N -4.04 3.03 -0.09 2.11 0.05 -1.20 -4.07 118.68 114.47 1zrr s LEU 131 Ca 0.68 -0.78 0.01 0.00 0.05 0.00 0.00 54.13 54.10 1zrr s LEU 131 Cb -0.19 -1.53 0.02 0.00 -2.05 0.00 0.00 46.19 42.43 1zrr s LEU 131 CO 0.29 -0.03 -0.12 -0.63 -0.55 0.00 0.00 176.35 175.32 1zrr s ILE 132 N -2.39 1.20 -0.00 1.48 -1.09 -1.17 -3.81 121.20 115.42 1zrr s ILE 132 Ca 0.32 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 1zrr s ILE 132 Cb -0.05 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 1zrr s ILE 132 CO 0.19 0.38 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.62 1zrr s SER 133 N 1.05 2.57 0.08 3.58 0.01 -1.26 -3.15 113.70 116.58 1zrr s SER 133 Ca -0.07 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 56.82 1zrr s SER 133 Cb -0.15 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1zrr s SER 133 CO -0.01 0.25 -0.09 0.68 0.41 0.00 0.00 173.24 174.47 1zrr s VAL 134 N -0.59 3.43 0.69 3.43 -7.23 -1.15 -2.93 120.40 116.05 1zrr s VAL 134 Ca 0.08 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 58.97 1zrr s VAL 134 Cb -0.09 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1zrr s VAL 134 CO -0.00 0.18 1.10 -2.16 -0.31 0.00 0.00 175.10 173.91 1zrr s PRO 135 N -2.02 2.67 0.17 4.82 0.04 -1.26 -2.36 135.00 137.05 1zrr s PRO 135 Ca 0.20 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1zrr s PRO 135 Cb -0.11 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1zrr s PRO 135 CO 0.12 -1.34 1.27 0.00 0.04 0.00 0.00 177.00 177.10 1zrr s ALA 136 N -2.54 3.49 0.00 8.56 0.00 -1.25 -2.90 121.76 127.11 1zrr s ALA 136 Ca 0.65 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1zrr s ALA 136 Cb -0.19 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1zrr s ALA 136 CO 0.46 -0.48 0.00 1.58 0.00 0.00 0.00 175.76 177.32 1zrr n HIS 137 N 2.91 0.00 -3.92 0.00 -0.00 -0.70 -4.94 115.22 108.59 1zrr n HIS 137 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.43 1zrr n HIS 137 Cb 0.44 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.29 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 4.67 0.24 3.57 2.01 -1.14 -5.01 115.64 117.98 1zrr s THR 138 Ca 0.00 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 1zrr s THR 138 Cb 0.00 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1zrr s THR 138 CO 0.00 0.41 1.51 -2.16 -0.69 0.00 0.00 174.62 173.68 1zrr s PRO 139 N 0.84 4.22 -0.02 4.92 0.04 -1.24 -4.65 135.00 139.11 1zrr s PRO 139 Ca 0.04 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1zrr s PRO 139 Cb -0.14 -3.10 0.11 0.00 0.04 0.00 0.00 34.50 31.41 1zrr s PRO 139 CO 0.02 -0.51 1.05 -3.38 0.04 0.00 0.00 177.00 174.22 1zrr s HIS 140 N 0.27 -0.20 0.00 0.56 -3.43 -1.04 -2.97 115.29 108.48 1zrr s HIS 140 Ca 0.63 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1zrr s HIS 140 Cb -0.44 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1zrr s HIS 140 CO 0.41 -0.47 0.00 -2.67 -2.00 0.00 0.00 174.74 170.01 1zrr n TRP 141 N -0.29 0.00 -3.54 0.38 2.14 -1.26 -2.10 117.44 112.77 1zrr n TRP 141 Ca -0.06 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.50 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.05 1zrr n TRP 141 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1zrr s PHE 142 N 0.91 -0.70 -0.10 -2.67 5.36 -1.23 -4.84 117.98 114.71 1zrr s PHE 142 Ca 0.00 1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 57.22 1zrr s PHE 142 Cb 0.00 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.15 1zrr s PHE 142 CO 0.00 -0.35 0.23 0.16 -1.46 0.00 0.00 175.22 173.80 1zrr s ASP 143 N 1.94 -0.20 -0.15 6.13 -4.77 -1.26 -3.61 116.67 114.75 1zrr s ASP 143 Ca -0.06 0.49 0.16 0.00 -3.30 0.00 0.00 52.55 49.84 1zrr s ASP 143 Cb -0.05 0.38 0.69 0.00 -1.09 0.00 0.00 42.92 42.84 1zrr s ASP 143 CO -0.17 -0.17 1.60 0.23 0.70 0.00 0.00 175.17 177.37 1zrr n MET 144 N 4.29 3.84 0.00 2.11 2.81 -1.26 -4.47 117.12 124.44 1zrr n MET 144 Ca -0.25 -2.89 0.00 0.00 -1.81 0.00 0.00 57.70 52.75 1zrr n MET 144 Cb 0.53 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.69 0.08 3.66 3.03 0.00 -1.11 -3.33 105.19 108.21 1zrr n GLY 145 Ca 0.25 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.17 7.05 -0.26 1.61 0.01 -1.26 -4.76 113.70 115.91 1zrr s SER 146 Ca 0.00 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 1zrr s SER 146 Cb 0.00 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1zrr s SER 146 CO 0.00 -0.60 -0.03 -1.61 0.41 0.00 0.00 173.24 171.41 1zrr s GLU 147 N 2.94 2.82 -0.67 12.44 2.02 -1.21 -4.92 118.70 132.12 1zrr s GLU 147 Ca 0.42 -1.00 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 1zrr s GLU 147 Cb -0.15 -3.07 0.41 0.00 0.10 0.00 0.00 34.13 31.42 1zrr s GLU 147 CO 0.08 -0.44 1.85 -0.35 0.02 0.00 0.00 175.26 176.43 1zrr n PRO 148 N 4.69 2.89 -1.37 0.39 -0.04 -1.26 -4.67 135.00 135.63 1zrr n PRO 148 Ca -0.16 -3.58 0.00 0.00 -0.04 0.00 0.00 63.50 59.72 1zrr n PRO 148 Cb 0.47 -2.28 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 -0.72 -1.83 -4.95 3.54 4.05 -1.26 -4.76 115.26 109.33 1zrr n ASN 149 Ca 0.55 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 55.35 1zrr n ASN 149 Cb 0.54 -0.92 -0.02 0.00 1.23 0.00 0.00 39.78 40.62 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 -2.85 3.48 -0.11 1.20 -0.71 -1.26 -4.70 117.98 113.04 1zrr s PHE 150 Ca 0.00 0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 1zrr s PHE 150 Cb 0.00 -1.79 0.01 0.00 -1.21 0.00 0.00 43.02 40.03 1zrr s PHE 150 CO 0.00 0.26 -0.15 0.99 -1.34 0.00 0.00 175.22 174.98 1zrr s THR 151 N -2.14 1.48 0.11 -4.49 2.01 0.52 -4.16 115.64 108.97 1zrr s THR 151 Ca 0.38 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1zrr s THR 151 Cb -0.10 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1zrr s THR 151 CO 0.33 0.44 0.11 0.00 -0.69 0.00 0.00 174.62 174.81 1zrr s ALA 152 N 0.99 0.34 -0.15 7.40 0.00 -0.45 -1.05 121.76 128.85 1zrr s ALA 152 Ca -0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1zrr s ALA 152 Cb -0.15 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1zrr s ALA 152 CO -0.02 -0.50 -0.07 0.42 0.00 0.00 0.00 175.76 175.60 1zrr s ILE 153 N -3.96 3.58 0.15 0.00 1.01 0.85 -0.65 121.20 122.18 1zrr s ILE 153 Ca 0.14 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1zrr s ILE 153 Cb 0.06 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1zrr s ILE 153 CO -0.05 0.50 -0.12 -0.13 0.00 0.00 0.00 174.94 175.15 1zrr s ARG 154 N 0.36 1.09 0.16 2.79 0.52 -0.94 -3.12 118.95 119.83 1zrr s ARG 154 Ca -0.07 -1.40 0.06 0.00 -0.52 0.00 0.00 55.73 53.80 1zrr s ARG 154 Cb -0.15 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 1zrr s ARG 154 CO 0.04 0.13 0.08 0.42 0.02 0.00 0.00 175.30 175.99 1zrr s ILE 155 N -2.82 4.19 -0.27 1.52 -1.09 -1.26 -2.63 121.20 118.84 1zrr s ILE 155 Ca 0.15 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 57.23 1zrr s ILE 155 Cb -0.01 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1zrr s ILE 155 CO 0.03 -0.09 0.37 -0.36 -1.23 0.00 0.00 174.94 173.65 1zrr s PHE 156 N -1.71 3.25 0.14 3.97 2.99 0.98 -4.92 117.98 122.67 1zrr s PHE 156 Ca 0.29 0.41 0.02 0.00 0.00 0.00 0.00 56.93 57.65 1zrr s PHE 156 Cb -0.10 -2.56 -0.04 0.00 0.00 0.00 0.00 43.02 40.31 1zrr s PHE 156 CO 0.21 -0.22 -0.04 0.34 -0.00 0.00 0.00 175.22 175.51 1zrr s ASP 157 N 1.63 1.26 0.33 1.36 -1.08 -1.26 -3.45 116.67 115.45 1zrr s ASP 157 Ca 0.15 -1.08 0.02 0.00 -0.52 0.00 0.00 52.55 51.12 1zrr s ASP 157 Cb -0.16 0.09 -0.03 0.00 -1.46 0.00 0.00 42.92 41.36 1zrr s ASP 157 CO 0.10 -0.49 0.51 0.54 0.52 0.00 0.00 175.17 176.35 1zrr s ASN 158 N -3.12 6.25 -0.00 -0.34 2.20 -1.26 -5.04 114.94 113.63 1zrr s ASN 158 Ca 0.18 0.31 -0.24 0.00 -0.94 0.00 0.00 52.86 52.17 1zrr s ASN 158 Cb 0.05 -1.91 -0.16 0.00 -2.00 0.00 0.00 41.25 37.23 1zrr s ASN 158 CO -0.00 -0.28 1.16 1.55 -2.94 0.00 0.00 177.10 176.59 1zrr h PRO 159 N 0.83 -0.39 0.00 3.55 0.13 -2.02 -2.95 132.00 131.15 1zrr h PRO 159 Ca -0.50 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 159 Cb 1.23 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1zrr h PRO 159 CO 0.60 -0.05 0.58 -0.85 -0.23 0.00 0.00 178.00 178.05 1zrr n GLU 160 N -5.11 0.04 0.01 0.86 0.28 -1.26 0.28 120.64 115.75 1zrr n GLU 160 Ca -0.09 0.46 -0.17 0.00 -0.16 0.00 0.00 57.16 57.20 1zrr n GLU 160 Cb 0.27 -2.19 -0.14 0.00 1.43 0.00 0.00 31.44 30.81 1zrr n GLU 160 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1zrr h GLY 161 N 0.00 0.23 -2.84 -1.84 0.00 -1.93 -3.47 103.07 93.22 1zrr h GLY 161 Ca 0.00 -0.59 -0.47 0.00 0.00 0.00 0.00 47.33 46.27 1zrr h GLY 161 CO 0.00 0.52 -0.41 -0.98 0.00 0.00 0.00 176.54 175.67 1zrr s TRP 162 N -2.58 3.14 -0.11 5.60 0.51 0.81 -3.60 118.94 122.71 1zrr s TRP 162 Ca -0.15 -0.18 -0.08 0.00 -2.12 0.00 0.00 56.10 53.57 1zrr s TRP 162 Cb 0.07 -1.77 -0.04 0.00 -0.81 0.00 0.00 33.47 30.91 1zrr s TRP 162 CO 0.80 0.21 0.17 0.42 -0.51 0.00 0.00 176.95 178.04 1zrr s ILE 163 N -2.16 5.45 0.00 2.03 -1.09 -0.89 -4.85 121.20 119.69 1zrr s ILE 163 Ca 0.40 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1zrr s ILE 163 Cb -0.08 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1zrr s ILE 163 CO 0.29 0.60 0.68 0.00 -1.23 0.00 0.00 174.94 175.28 1zrr n ALA 164 N 2.07 -0.26 -2.26 9.38 0.00 -1.26 -3.98 120.51 124.19 1zrr n ALA 164 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1zrr n ALA 164 Cb 0.55 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 1.14 0.00 0.00 0.00 177.50 178.64 1zrr s GLN 165 N -1.98 0.68 -0.24 0.00 -2.07 -1.26 -4.32 119.66 110.47 1zrr s GLN 165 Ca 0.00 -1.12 -0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1zrr s GLN 165 Cb 0.00 0.25 -0.15 0.00 -1.09 0.00 0.00 33.01 32.02 1zrr s GLN 165 CO 0.00 -0.16 -0.23 0.34 -1.32 0.00 0.00 175.29 173.92 1zrr n PHE 166 N 0.10 0.00 -0.01 9.60 -0.00 -1.26 -4.77 117.46 121.12 1zrr n PHE 166 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.29 1zrr n PHE 166 Cb 0.61 -0.92 -0.02 0.00 -0.00 0.00 0.00 39.48 39.16 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1zrr n THR 167 N -3.34 0.15 -0.21 -2.13 -1.04 -1.26 -5.02 114.28 101.43 1zrr n THR 167 Ca -0.44 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1zrr n THR 167 Cb 0.94 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 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 2.96 0.63 3.82 3.41 0.00 -1.26 -5.06 105.19 109.68 1zrr n GLY 168 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 6.95 -0.73 1.61 -0.00 -1.26 -4.95 116.67 115.36 1zrr s ASP 169 Ca 0.00 1.65 -0.05 0.00 -0.00 0.00 0.00 52.55 54.15 1zrr s ASP 169 Cb 0.00 -2.52 0.19 0.00 -0.00 0.00 0.00 42.92 40.58 1zrr s ASP 169 CO 0.00 -0.32 0.59 1.51 -0.00 0.00 0.00 175.17 176.95 1zrr s ASP 170 N -2.14 5.71 0.46 0.27 -4.77 -1.26 -3.73 116.67 111.21 1zrr s ASP 170 Ca 0.60 -3.02 0.26 0.00 -3.30 0.00 0.00 52.55 47.08 1zrr s ASP 170 Cb -0.10 -1.94 0.69 0.00 -1.09 0.00 0.00 42.92 40.49 1zrr s ASP 170 CO 0.14 -0.37 1.73 -0.29 0.70 0.00 0.00 175.17 177.09 1zrr h ILE 171 N 4.89 0.12 -0.90 2.11 2.10 -1.95 -3.11 117.51 120.78 1zrr h ILE 171 Ca 0.05 -0.96 -0.02 0.00 1.08 0.00 0.00 64.86 65.01 1zrr h ILE 171 Cb 0.94 1.86 -0.04 0.00 -1.09 0.00 0.00 36.82 38.49 1zrr h ILE 171 CO 0.75 0.06 0.50 0.00 -1.08 0.00 0.00 178.15 178.38 1zrr h ALA 172 N 1.94 1.18 0.00 0.18 0.00 -1.89 -1.13 119.26 119.53 1zrr h ALA 172 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zrr h ALA 172 Cb 0.86 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1zrr h ALA 172 CO 0.01 0.66 0.06 -1.13 0.00 0.00 0.00 179.25 178.85 1zrr n SER 173 N -4.33 0.00 0.15 0.00 3.41 -1.18 -1.26 113.62 110.41 1zrr n SER 173 Ca 0.10 0.11 -0.24 0.00 -0.26 0.00 0.00 58.87 58.57 1zrr n SER 173 Cb 0.09 -0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.29 -0.15 -0.25 7.33 0.00 -1.42 -3.37 119.26 122.70 1zrr h ALA 174 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 54.91 53.98 1zrr h ALA 174 Cb 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1zrr h ALA 174 CO 0.00 0.71 -0.05 0.66 0.00 0.00 0.00 179.25 180.57 1zrr n TYR 175 N -3.71 0.82 0.32 0.00 4.01 -0.39 -4.82 117.16 113.39 1zrr n TYR 175 Ca -0.16 -1.21 0.21 0.00 -0.16 0.00 0.00 57.90 56.58 1zrr n TYR 175 Cb 1.10 -0.36 1.10 0.00 -0.31 0.00 0.00 39.34 40.88 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 1.18 0.00 -5.77 -0.72 0.13 -1.71 -3.41 132.00 121.69 1zrr h PRO 176 Ca 0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 1zrr h PRO 176 Cb 1.45 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.50 1zrr h PRO 176 CO 0.25 0.00 0.03 1.03 -0.23 0.00 0.00 178.00 179.08 1zrr s ARG 177 N -4.03 4.31 -0.27 0.86 0.52 -1.26 -2.76 118.95 116.31 1zrr s ARG 177 Ca -0.04 0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 55.56 1zrr s ARG 177 Cb 0.12 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.08 1zrr s ARG 177 CO 0.41 -0.04 0.82 -1.17 0.02 0.00 0.00 175.30 175.34 1zrr s LEU 178 N 1.24 4.07 0.00 2.53 2.96 -1.26 -4.90 118.68 123.32 1zrr s LEU 178 Ca 0.30 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1zrr s LEU 178 Cb -0.16 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1zrr s LEU 178 CO 0.12 -0.56 0.00 0.00 -1.32 0.00 0.00 176.35 174.59