#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zml s THR 2 N 0.00 1.64 -0.03 3.15 2.01 -1.26 -0.74 115.64 120.41 2zml s THR 2 Ca 0.00 -1.52 -0.00 0.00 0.31 0.00 0.00 61.69 60.47 2zml s THR 2 Cb 0.00 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 71.03 2zml s THR 2 CO 0.00 -0.09 0.02 -0.51 -0.69 0.00 0.00 174.62 173.35 2zml s ILE 3 N -1.20 0.06 -0.08 1.82 -1.16 -0.86 -5.01 121.20 114.77 2zml s ILE 3 Ca 0.06 0.19 -0.06 0.00 -0.51 0.00 0.00 60.65 60.33 2zml s ILE 3 Cb -0.10 -0.20 0.03 0.00 0.61 0.00 0.00 42.46 42.80 2zml s ILE 3 CO 0.04 0.14 0.20 -0.55 -2.81 0.00 0.00 174.94 171.96 2zml s SER 4 N 1.27 -0.21 -0.08 4.50 0.15 -1.26 -1.29 113.70 116.79 2zml s SER 4 Ca -0.06 0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.85 2zml s SER 4 Cb -0.13 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 2zml s SER 4 CO -0.03 -0.11 0.37 0.72 1.20 0.00 0.00 173.24 175.40 2zml s PHE 5 N 0.61 -0.33 0.11 3.44 -0.12 -0.56 -5.00 117.98 116.12 2zml s PHE 5 Ca -0.04 0.69 0.05 0.00 -0.05 0.00 0.00 56.93 57.58 2zml s PHE 5 Cb -0.06 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2zml s PHE 5 CO -0.03 -0.32 -0.12 1.21 -0.05 0.00 0.00 175.22 175.91 2zml s ASN 6 N -0.60 1.66 -0.24 1.98 2.47 -1.26 -0.07 114.94 118.88 2zml s ASN 6 Ca -0.07 -0.81 -0.03 0.00 0.42 0.00 0.00 52.86 52.37 2zml s ASN 6 Cb -0.04 -0.02 0.10 0.00 -1.45 0.00 0.00 41.25 39.84 2zml s ASN 6 CO 0.03 -0.21 0.20 -0.36 -3.72 0.00 0.00 177.10 173.04 2zml s PHE 7 N -2.30 -0.12 -0.05 0.43 0.08 0.12 -4.94 117.98 111.20 2zml s PHE 7 Ca 0.07 -0.20 0.12 0.00 0.12 0.00 0.00 56.93 57.04 2zml s PHE 7 Cb -0.04 -0.55 -0.08 0.00 -0.57 0.00 0.00 43.02 41.78 2zml s PHE 7 CO 0.01 -0.72 1.26 -0.91 -0.10 0.00 0.00 175.22 174.76 2zml h ASN 8 N 8.34 0.00 -5.01 1.36 -0.26 -1.90 0.10 115.58 118.22 2zml h ASN 8 Ca -0.16 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.53 2zml h ASN 8 Cb 1.10 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.20 2zml h ASN 8 CO 0.33 0.72 0.12 -1.10 -1.06 0.00 0.00 177.43 176.44 2zml s GLN 9 N -2.84 1.10 -0.17 0.81 -0.21 -1.26 -4.60 119.66 112.49 2zml s GLN 9 Ca 0.02 -0.16 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 2zml s GLN 9 Cb 0.09 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.56 2zml s GLN 9 CO 0.79 -0.41 0.11 -0.06 -2.12 0.00 0.00 175.29 173.60 2zml s PHE 10 N -2.44 3.42 -0.16 0.91 0.40 -0.80 -5.03 117.98 114.28 2zml s PHE 10 Ca -0.05 0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 56.53 2zml s PHE 10 Cb -0.01 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2zml s PHE 10 CO -0.01 0.40 0.13 -1.01 0.70 0.00 0.00 175.22 175.43 2zml s HIS 11 N -0.10 3.49 0.47 0.36 3.76 -1.26 -4.28 115.29 117.73 2zml s HIS 11 Ca 0.09 0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 55.18 2zml s HIS 11 Cb -0.12 -2.06 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 2zml s HIS 11 CO 0.00 0.49 1.20 0.00 -0.85 0.00 0.00 174.74 175.58 2zml n GLN 12 N 2.82 1.63 -3.10 1.40 0.00 -1.26 -2.87 117.38 116.00 2zml n GLN 12 Ca -0.18 0.59 -0.04 0.00 0.00 0.00 0.00 57.00 57.37 2zml n GLN 12 Cb 0.53 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.45 2zml n GLN 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2zml n ASN 13 N -0.11 -7.56 -4.39 2.61 2.04 -1.26 -4.98 115.26 101.61 2zml n ASN 13 Ca 0.09 -0.06 -0.36 0.00 -0.44 0.00 0.00 54.58 53.81 2zml n ASN 13 Cb 0.42 -4.98 -0.13 0.00 -2.53 0.00 0.00 39.78 32.55 2zml n ASN 13 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2zml s GLU 14 N -3.09 3.53 0.51 -3.83 -6.30 -1.14 -4.99 118.70 103.40 2zml s GLU 14 Ca 0.04 -0.54 0.30 0.00 -2.50 0.00 0.00 54.97 52.27 2zml s GLU 14 Cb -0.01 -3.17 1.23 0.00 0.00 0.00 0.00 34.13 32.18 2zml s GLU 14 CO 0.77 -0.18 1.94 1.05 0.02 0.00 0.00 175.26 178.86 2zml h GLU 15 N 8.14 0.00 0.00 4.30 4.11 -1.93 -2.94 114.58 126.25 2zml h GLU 15 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2zml h GLU 15 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2zml h GLU 15 CO 0.59 0.09 -0.11 1.04 0.07 0.00 0.00 179.01 180.69 2zml n GLN 16 N -3.25 0.22 -4.23 1.06 1.13 -1.26 -4.80 117.38 106.25 2zml n GLN 16 Ca 0.00 0.16 -0.23 0.00 -1.94 0.00 0.00 57.00 54.99 2zml n GLN 16 Cb 0.34 -1.73 -0.06 0.00 0.11 0.00 0.00 30.24 28.90 2zml n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2zml s LEU 17 N -4.20 3.40 -0.16 1.08 1.43 -1.11 -0.45 118.68 118.66 2zml s LEU 17 Ca 0.11 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2zml s LEU 17 Cb 0.14 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2zml s LEU 17 CO 0.61 -0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 176.38 2zml s LYS 18 N -3.73 1.32 -0.13 1.70 2.20 0.38 -4.66 119.74 116.82 2zml s LYS 18 Ca 0.32 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.37 2zml s LYS 18 Cb -0.07 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2zml s LYS 18 CO 0.22 -0.45 0.14 -0.51 -0.36 0.00 0.00 175.35 174.39 2zml s LEU 19 N 1.67 4.37 0.06 5.43 1.02 -1.26 -0.86 118.68 129.10 2zml s LEU 19 Ca 0.01 0.44 0.05 0.00 0.02 0.00 0.00 54.13 54.65 2zml s LEU 19 Cb -0.15 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 2zml s LEU 19 CO -0.08 0.39 -0.15 -1.10 0.02 0.00 0.00 176.35 175.43 2zml s GLN 20 N -0.89 0.95 5.99 1.70 -0.21 -0.52 -5.00 119.66 121.68 2zml s GLN 20 Ca 0.14 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.65 2zml s GLN 20 Cb -0.12 -0.99 0.00 0.00 1.00 0.00 0.00 33.01 32.90 2zml s GLN 20 CO 0.03 0.24 0.00 0.54 -2.12 0.00 0.00 175.29 173.98 2zml n ARG 21 N 1.63 0.00 0.00 2.91 5.12 -1.26 -2.38 116.66 122.67 2zml n ARG 21 Ca -0.19 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.83 2zml n ARG 21 Cb 0.54 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 32.39 2zml n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2zml n ASP 22 N 4.01 0.00 -4.74 0.55 8.00 -0.30 -4.86 116.55 119.21 2zml n ASP 22 Ca 0.00 -0.23 -0.41 0.00 0.71 0.00 0.00 54.79 54.85 2zml n ASP 22 Cb 0.00 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 2zml n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zml s ALA 23 N -2.37 3.60 0.02 2.24 0.00 -1.00 -4.32 121.76 119.92 2zml s ALA 23 Ca 0.23 1.27 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 2zml s ALA 23 Cb 0.14 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2zml s ALA 23 CO 0.28 -0.68 0.67 -0.98 0.00 0.00 0.00 175.76 175.05 2zml s ARG 24 N -0.26 1.10 -0.18 0.00 1.70 -0.51 -4.64 118.95 116.17 2zml s ARG 24 Ca 0.59 0.00 -0.18 0.00 -0.47 0.00 0.00 55.73 55.66 2zml s ARG 24 Cb -0.40 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 2zml s ARG 24 CO 0.41 -0.40 0.51 0.42 -1.08 0.00 0.00 175.30 175.17 2zml s ILE 25 N -2.08 5.12 0.87 4.99 1.01 -1.26 -1.00 121.20 128.85 2zml s ILE 25 Ca -0.06 0.97 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 2zml s ILE 25 Cb -0.00 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2zml s ILE 25 CO 0.02 0.21 1.18 -0.94 0.00 0.00 0.00 174.94 175.41 2zml s SER 26 N 1.02 3.97 0.13 3.58 1.04 -0.22 -4.82 113.70 118.40 2zml s SER 26 Ca 0.25 0.79 -0.18 0.00 0.48 0.00 0.00 55.95 57.28 2zml s SER 26 Cb -0.15 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 2zml s SER 26 CO 0.10 -2.25 1.78 0.28 0.98 0.00 0.00 173.24 174.13 2zml h SER 27 N -1.29 0.27 0.00 7.02 0.02 -1.97 -1.90 113.55 115.69 2zml h SER 27 Ca -0.47 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2zml h SER 27 Cb 1.32 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2zml h SER 27 CO 0.61 0.19 0.00 -0.46 -1.14 0.00 0.00 176.83 176.04 2zml n ASN 28 N -4.93 0.75 -0.88 3.07 0.23 -1.26 -4.87 115.26 107.38 2zml n ASN 28 Ca -0.02 -1.83 -0.09 0.00 -0.53 0.00 0.00 54.58 52.11 2zml n ASN 28 Cb 0.04 -0.37 -0.02 0.00 -2.08 0.00 0.00 39.78 37.34 2zml n ASN 28 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2zml n SER 29 N -0.06 -3.65 -4.89 0.53 3.41 -0.71 -4.97 113.62 103.27 2zml n SER 29 Ca 0.00 0.11 -0.33 0.00 -0.26 0.00 0.00 58.87 58.39 2zml n SER 29 Cb 0.19 -2.44 -0.05 0.00 -0.26 0.00 0.00 64.21 61.65 2zml n SER 29 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2zml s VAL 30 N -2.40 5.37 -0.51 -3.33 -7.23 -1.26 -1.91 120.40 109.13 2zml s VAL 30 Ca 0.00 -0.20 -0.23 0.00 -1.81 0.00 0.00 61.98 59.74 2zml s VAL 30 Cb 0.00 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.46 2zml s VAL 30 CO 0.00 0.31 0.84 -0.22 -0.31 0.00 0.00 175.10 175.72 2zml s LEU 31 N -1.96 4.29 -0.50 1.32 2.96 -0.27 -1.05 118.68 123.47 2zml s LEU 31 Ca 0.27 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 2zml s LEU 31 Cb -0.13 -2.82 0.06 0.00 0.50 0.00 0.00 46.19 43.81 2zml s LEU 31 CO 0.19 -1.07 0.60 -1.61 -1.32 0.00 0.00 176.35 173.14 2zml s GLU 32 N 3.51 3.11 0.08 1.98 2.02 -0.17 -0.43 118.70 128.80 2zml s GLU 32 Ca 0.28 -0.94 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2zml s GLU 32 Cb -0.13 -4.10 -0.08 0.00 0.10 0.00 0.00 34.13 29.91 2zml s GLU 32 CO 0.19 -1.20 1.51 -0.07 0.02 0.00 0.00 175.26 175.72 2zml h LEU 33 N 9.60 0.44 -9.53 1.80 3.38 -1.60 -1.36 115.31 118.03 2zml h LEU 33 Ca -0.28 -0.32 -0.60 0.00 0.09 0.00 0.00 57.88 56.78 2zml h LEU 33 Cb 1.10 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 2zml h LEU 33 CO 0.95 0.65 -0.65 0.42 0.09 0.00 0.00 178.44 179.91 2zml s THR 34 N -4.94 3.80 0.24 0.22 -4.23 -1.26 -2.88 115.64 106.58 2zml s THR 34 Ca -0.14 -1.39 -0.31 0.00 -1.18 0.00 0.00 61.69 58.67 2zml s THR 34 Cb 0.07 -2.92 -0.13 0.00 1.34 0.00 0.00 72.50 70.86 2zml s THR 34 CO 0.75 -0.11 1.40 1.17 -0.54 0.00 0.00 174.62 177.28 2zml n LYS 35 N -0.16 2.00 -3.62 3.99 4.81 -1.26 -4.76 118.16 119.16 2zml n LYS 35 Ca -0.09 0.71 -0.18 0.00 -0.87 0.00 0.00 58.31 57.88 2zml n LYS 35 Cb 0.55 -2.36 -0.15 0.00 0.02 0.00 0.00 35.03 33.09 2zml n LYS 35 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2zml s VAL 36 N -0.06 -0.28 -0.16 3.15 0.11 -1.26 -2.68 120.40 119.23 2zml s VAL 36 Ca 0.68 0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.92 2zml s VAL 36 Cb -0.66 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2zml s VAL 36 CO 0.50 0.03 -0.13 0.68 -3.33 0.00 0.00 175.10 172.84 2zml s VAL 37 N 2.30 2.85 -1.38 2.04 -7.23 0.73 -4.65 120.40 115.06 2zml s VAL 37 Ca 0.04 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.46 2zml s VAL 37 Cb -0.13 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2zml s VAL 37 CO -0.08 0.51 0.74 0.59 -0.31 0.00 0.00 175.10 176.55 2zml n ASN 38 N 4.04 -2.02 0.00 4.85 5.03 -1.26 -1.24 115.26 124.65 2zml n ASN 38 Ca -0.19 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.43 2zml n ASN 38 Cb 0.52 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 35.41 2zml n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2zml n GLY 39 N -1.65 0.35 3.07 7.41 0.00 -1.26 -5.00 105.19 108.10 2zml n GLY 39 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2zml n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zml s VAL 40 N -1.78 1.49 0.31 1.61 1.01 -0.37 -5.12 120.40 117.55 2zml s VAL 40 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 2zml s VAL 40 Cb 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 2zml s VAL 40 CO 0.00 0.44 1.07 -2.16 0.00 0.00 0.00 175.10 174.45 2zml s PRO 41 N 0.83 4.54 0.39 2.72 0.04 -1.26 -0.20 135.00 142.06 2zml s PRO 41 Ca -0.10 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.73 2zml s PRO 41 Cb -0.16 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2zml s PRO 41 CO 0.01 0.15 0.25 0.95 0.04 0.00 0.00 177.00 178.40 2zml s THR 42 N -1.28 2.66 0.30 1.26 -4.23 -1.09 -4.79 115.64 108.47 2zml s THR 42 Ca 0.47 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2zml s THR 42 Cb -0.29 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.61 2zml s THR 42 CO 0.37 -0.05 0.41 -2.67 -0.54 0.00 0.00 174.62 172.14 2zml n TRP 43 N -1.34 -3.43 -3.16 3.99 4.27 -1.26 -4.47 117.44 112.04 2zml n TRP 43 Ca 0.00 -0.60 -0.21 0.00 -3.89 0.00 0.00 57.50 52.79 2zml n TRP 43 Cb 0.63 -0.31 0.00 0.00 -1.36 0.00 0.00 31.31 30.27 2zml n TRP 43 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2zml n ASN 44 N -3.06 -4.01 -4.43 -0.67 5.15 0.29 -4.90 115.26 103.63 2zml n ASN 44 Ca 0.06 -0.27 -0.32 0.00 -0.60 0.00 0.00 54.58 53.45 2zml n ASN 44 Cb 0.22 -3.32 -0.14 0.00 -0.53 0.00 0.00 39.78 36.01 2zml n ASN 44 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2zml s SER 45 N -2.60 3.68 -0.10 1.20 0.15 -1.26 -5.00 113.70 109.77 2zml s SER 45 Ca 0.32 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 2zml s SER 45 Cb -0.16 -0.62 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 2zml s SER 45 CO 0.39 0.30 0.25 -0.89 1.20 0.00 0.00 173.24 174.49 2zml s THR 46 N -0.77 -0.03 -0.01 6.45 2.01 -1.26 -1.28 115.64 120.75 2zml s THR 46 Ca 0.12 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 2zml s THR 46 Cb -0.10 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.07 2zml s THR 46 CO 0.02 0.04 0.40 -0.83 -0.69 0.00 0.00 174.62 173.56 2zml s GLY 47 N 0.86 -0.25 0.10 4.40 0.00 -0.99 -1.15 107.32 110.29 2zml s GLY 47 Ca -0.06 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.17 2zml s GLY 47 CO -0.05 0.24 -0.07 0.50 0.00 0.00 0.00 173.10 173.71 2zml s ARG 48 N -1.61 0.83 -0.10 2.90 0.52 -1.04 -1.59 118.95 118.86 2zml s ARG 48 Ca -0.11 -1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 53.79 2zml s ARG 48 Cb -0.03 -0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.21 2zml s ARG 48 CO 0.04 0.01 0.11 0.00 0.02 0.00 0.00 175.30 175.47 2zml s ALA 49 N -3.29 0.11 0.07 2.13 0.00 -0.25 -1.45 121.76 119.08 2zml s ALA 49 Ca 0.10 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.32 2zml s ALA 49 Cb 0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2zml s ALA 49 CO -0.03 -0.75 -0.13 -0.51 0.00 0.00 0.00 175.76 174.34 2zml s LEU 50 N 2.22 2.90 -0.01 0.00 2.01 -0.04 -1.02 118.68 124.73 2zml s LEU 50 Ca 0.04 -0.38 -0.30 0.00 0.01 0.00 0.00 54.13 53.49 2zml s LEU 50 Cb -0.13 -1.71 -0.05 0.00 0.01 0.00 0.00 46.19 44.31 2zml s LEU 50 CO -0.06 0.22 1.30 -0.47 1.01 0.00 0.00 176.35 178.34 2zml s TYR 51 N -1.09 3.06 0.30 0.29 5.04 -0.66 -0.47 117.35 123.82 2zml s TYR 51 Ca 0.18 1.03 0.07 0.00 -2.44 0.00 0.00 57.07 55.91 2zml s TYR 51 Cb -0.11 -3.54 0.82 0.00 0.35 0.00 0.00 41.96 39.48 2zml s TYR 51 CO 0.10 -1.87 1.69 0.00 -1.34 0.00 0.00 175.55 174.13 2zml h ALA 52 N 7.55 1.58 -2.65 3.97 0.00 -1.03 -3.43 119.26 125.25 2zml h ALA 52 Ca -0.37 0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 2zml h ALA 52 Cb 1.18 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2zml h ALA 52 CO 0.88 -0.38 -0.24 -1.59 0.00 0.00 0.00 179.25 177.92 2zml s LYS 53 N -5.83 3.71 0.43 0.00 -2.85 -1.26 -5.03 119.74 108.92 2zml s LYS 53 Ca -0.11 0.09 -0.20 0.00 -1.00 0.00 0.00 55.97 54.75 2zml s LYS 53 Cb 0.27 -2.84 -0.11 0.00 -2.06 0.00 0.00 37.83 33.09 2zml s LYS 53 CO 0.78 0.46 0.95 -1.25 0.10 0.00 0.00 175.35 176.38 2zml s PRO 54 N -2.47 4.19 0.05 1.78 0.04 -1.26 -4.81 135.00 132.51 2zml s PRO 54 Ca 0.40 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.59 2zml s PRO 54 Cb -0.12 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2zml s PRO 54 CO 0.22 -0.05 -0.16 0.14 0.04 0.00 0.00 177.00 177.19 2zml s VAL 55 N -2.22 2.95 -0.38 -0.36 -7.23 0.02 -4.91 120.40 108.27 2zml s VAL 55 Ca 0.61 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 2zml s VAL 55 Cb -0.09 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.59 2zml s VAL 55 CO 0.15 0.31 0.42 -1.58 -0.31 0.00 0.00 175.10 174.10 2zml s GLN 56 N -1.54 3.35 0.21 4.82 0.74 -1.26 -0.81 119.66 125.18 2zml s GLN 56 Ca 0.16 -0.54 0.23 0.00 0.05 0.00 0.00 55.36 55.26 2zml s GLN 56 Cb -0.11 -3.88 0.10 0.00 1.10 0.00 0.00 33.01 30.22 2zml s GLN 56 CO 0.06 -0.70 1.15 -0.39 -0.55 0.00 0.00 175.29 174.86 2zml h VAL 57 N 5.65 0.00 -2.44 1.34 -1.51 -1.37 -3.45 116.25 114.47 2zml h VAL 57 Ca -0.28 -0.90 -0.04 0.00 -1.23 0.00 0.00 66.70 64.24 2zml h VAL 57 Cb 1.12 1.47 -0.16 0.00 -2.13 0.00 0.00 31.29 31.59 2zml h VAL 57 CO 0.76 0.00 0.19 -1.66 -1.23 0.00 0.00 177.57 175.63 2zml s TRP 58 N -3.31 -0.60 -0.20 5.19 1.48 -1.23 0.95 118.94 121.22 2zml s TRP 58 Ca 0.02 0.78 -0.01 0.00 -1.06 0.00 0.00 56.10 55.82 2zml s TRP 58 Cb 0.10 0.47 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 2zml s TRP 58 CO 0.77 -0.71 -0.13 0.34 -4.06 0.00 0.00 176.95 173.16 2zml s ASP 59 N -1.85 3.66 0.50 -2.66 2.15 -0.61 -4.57 116.67 113.28 2zml s ASP 59 Ca -0.06 -0.54 0.24 0.00 0.43 0.00 0.00 52.55 52.62 2zml s ASP 59 Cb -0.00 -1.60 1.32 0.00 -0.30 0.00 0.00 42.92 42.34 2zml s ASP 59 CO 0.00 -0.01 2.04 0.77 -0.17 0.00 0.00 175.17 177.81 2zml h SER 60 N 8.02 0.00 0.08 -0.34 4.64 -1.93 0.70 113.55 124.72 2zml h SER 60 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2zml h SER 60 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2zml h SER 60 CO 0.62 0.14 -0.04 0.74 -0.87 0.00 0.00 176.83 177.43 2zml h THR 61 N 0.00 1.14 0.00 2.95 2.02 -1.97 -3.32 112.91 113.73 2zml h THR 61 Ca -0.00 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2zml h THR 61 Cb 0.35 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2zml h THR 61 CO 0.02 0.20 -1.40 0.35 0.37 0.00 0.00 175.52 175.07 2zml n THR 62 N -4.96 0.37 -0.29 3.16 -2.24 -1.18 -4.96 114.28 104.18 2zml n THR 62 Ca -0.08 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2zml n THR 62 Cb 0.22 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2zml n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zml n GLY 63 N 1.22 2.05 3.76 3.38 0.00 0.24 -5.01 105.19 110.83 2zml n GLY 63 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2zml n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2zml s ASN 64 N -3.49 5.46 0.07 1.61 0.02 -1.22 -4.77 114.94 112.61 2zml s ASN 64 Ca 0.00 2.49 0.08 0.00 -1.02 0.00 0.00 52.86 54.42 2zml s ASN 64 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 2zml s ASN 64 CO 0.00 -1.42 -0.21 -0.69 0.02 0.00 0.00 177.10 174.80 2zml s VAL 65 N -1.48 2.57 0.50 1.60 1.01 -1.26 -1.58 120.40 121.76 2zml s VAL 65 Ca 0.72 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2zml s VAL 65 Cb -0.33 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2zml s VAL 65 CO 0.38 0.27 0.92 0.00 0.00 0.00 0.00 175.10 176.67 2zml s ALA 66 N -0.95 3.17 0.04 5.51 0.00 0.27 -4.62 121.76 125.18 2zml s ALA 66 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2zml s ALA 66 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2zml s ALA 66 CO 0.05 -0.26 -0.09 -1.12 0.00 0.00 0.00 175.76 174.33 2zml s SER 67 N -3.36 4.42 0.11 0.00 0.01 -0.64 -4.29 113.70 109.95 2zml s SER 67 Ca 0.55 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.45 2zml s SER 67 Cb -0.10 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.20 2zml s SER 67 CO 0.36 0.24 0.25 0.72 0.41 0.00 0.00 173.24 175.23 2zml s PHE 68 N -1.05 0.10 -0.01 2.43 -0.12 -0.94 -0.03 117.98 118.36 2zml s PHE 68 Ca 0.18 -0.50 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 2zml s PHE 68 Cb -0.11 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.31 2zml s PHE 68 CO 0.09 -0.61 0.01 -2.00 -0.05 0.00 0.00 175.22 172.66 2zml s GLU 69 N -3.86 0.02 -0.01 1.99 2.12 0.80 -0.41 118.70 119.35 2zml s GLU 69 Ca 0.06 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 2zml s GLU 69 Cb 0.04 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2zml s GLU 69 CO -0.10 -0.06 0.02 -0.08 -0.54 0.00 0.00 175.26 174.51 2zml s THR 70 N 0.39 -0.00 0.01 -1.70 -1.32 0.38 -0.67 115.64 112.73 2zml s THR 70 Ca -0.03 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 2zml s THR 70 Cb -0.05 -0.04 -0.01 0.00 -1.51 0.00 0.00 72.50 70.88 2zml s THR 70 CO -0.01 0.00 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.16 2zml s ARG 71 N 0.02 0.86 0.18 7.08 0.52 -0.79 -0.51 118.95 126.31 2zml s ARG 71 Ca -0.00 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.49 2zml s ARG 71 Cb -0.00 -0.83 0.06 0.00 0.52 0.00 0.00 34.95 34.69 2zml s ARG 71 CO 0.00 0.22 0.60 -0.59 0.02 0.00 0.00 175.30 175.55 2zml s PHE 72 N -0.47 -0.43 -0.01 -0.53 -0.71 -0.86 -0.95 117.98 114.01 2zml s PHE 72 Ca 0.03 0.16 0.07 0.00 -1.04 0.00 0.00 56.93 56.15 2zml s PHE 72 Cb -0.05 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 2zml s PHE 72 CO 0.00 -0.91 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.62 2zml s SER 73 N -2.79 2.71 0.19 1.98 0.01 -0.93 -1.14 113.70 113.74 2zml s SER 73 Ca 0.03 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 2zml s SER 73 Cb -0.02 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2zml s SER 73 CO -0.09 0.27 0.08 0.72 0.41 0.00 0.00 173.24 174.63 2zml s PHE 74 N -0.57 1.16 -0.07 2.43 -0.12 -0.85 -0.31 117.98 119.65 2zml s PHE 74 Ca 0.09 -1.24 -0.04 0.00 -0.05 0.00 0.00 56.93 55.70 2zml s PHE 74 Cb -0.09 -0.63 0.04 0.00 -0.63 0.00 0.00 43.02 41.71 2zml s PHE 74 CO -0.01 -0.47 0.16 0.45 -0.05 0.00 0.00 175.22 175.31 2zml s SER 75 N -3.16 -0.14 -0.22 1.98 0.15 0.73 -1.47 113.70 111.57 2zml s SER 75 Ca 0.32 0.34 0.01 0.00 0.70 0.00 0.00 55.95 57.32 2zml s SER 75 Cb 0.07 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 2zml s SER 75 CO 0.08 -0.13 -0.11 -0.63 1.20 0.00 0.00 173.24 173.65 2zml s ILE 76 N 0.97 1.81 -0.27 6.45 1.01 -1.26 -1.51 121.20 128.40 2zml s ILE 76 Ca -0.07 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 2zml s ILE 76 Cb -0.09 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 2zml s ILE 76 CO -0.05 0.12 0.07 -0.60 0.00 0.00 0.00 174.94 174.47 2zml s ARG 77 N 1.31 3.31 -0.76 2.79 3.52 -1.25 -1.34 118.95 126.53 2zml s ARG 77 Ca -0.03 -0.70 -0.11 0.00 -0.13 0.00 0.00 55.73 54.76 2zml s ARG 77 Cb -0.17 -3.33 0.20 0.00 -1.56 0.00 0.00 34.95 30.09 2zml s ARG 77 CO -0.08 -0.34 0.67 -0.65 -0.81 0.00 0.00 175.30 174.09 2zml s GLN 78 N 1.54 3.29 0.25 5.12 -0.21 -1.26 -2.42 119.66 125.96 2zml s GLN 78 Ca 0.04 -2.47 -0.05 0.00 0.02 0.00 0.00 55.36 52.91 2zml s GLN 78 Cb -0.16 -4.22 0.29 0.00 1.00 0.00 0.00 33.01 29.92 2zml s GLN 78 CO 0.02 -1.26 1.84 -1.35 -2.12 0.00 0.00 175.29 172.43 2zml h PRO 79 N 7.58 1.10 -4.01 2.91 0.11 -1.97 -3.38 132.00 134.34 2zml h PRO 79 Ca 0.06 -0.16 -0.71 0.00 0.11 0.00 0.00 66.00 65.30 2zml h PRO 79 Cb 1.02 -0.20 -0.33 0.00 0.11 0.00 0.00 31.00 31.60 2zml h PRO 79 CO 0.75 0.85 -0.38 -0.06 -0.21 0.00 0.00 178.00 178.95 2zml s PHE 80 N -5.60 3.49 0.27 0.65 0.08 -1.26 -4.96 117.98 110.66 2zml s PHE 80 Ca -0.12 -2.38 -0.00 0.00 0.12 0.00 0.00 56.93 54.55 2zml s PHE 80 Cb 0.16 -3.33 0.56 0.00 -0.57 0.00 0.00 43.02 39.84 2zml s PHE 80 CO 0.82 -0.92 1.77 -1.00 -0.10 0.00 0.00 175.22 175.78 2zml h PRO 81 N 7.68 0.63 -6.41 0.24 0.13 -1.93 -3.40 132.00 128.95 2zml h PRO 81 Ca -0.08 -0.04 -0.63 0.00 -0.87 0.00 0.00 66.00 64.39 2zml h PRO 81 Cb 1.01 -0.14 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 2zml h PRO 81 CO 0.75 0.42 -0.69 1.03 -0.23 0.00 0.00 178.00 179.28 2zml s ARG 82 N -5.96 2.31 0.12 0.86 0.52 -1.26 -3.94 118.95 111.60 2zml s ARG 82 Ca -0.12 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 2zml s ARG 82 Cb 0.22 -2.34 -0.16 0.00 0.52 0.00 0.00 34.95 33.20 2zml s ARG 82 CO 0.78 0.47 1.28 -1.00 0.02 0.00 0.00 175.30 176.85 2zml h PRO 83 N 3.04 0.14 -1.04 3.54 0.13 -1.85 -3.47 132.00 132.49 2zml h PRO 83 Ca -0.47 -0.21 0.18 0.00 -0.87 0.00 0.00 66.00 64.63 2zml h PRO 83 Cb 1.19 0.07 -0.27 0.00 0.13 0.00 0.00 31.00 32.12 2zml h PRO 83 CO 0.56 1.04 0.42 -3.38 -0.23 0.00 0.00 178.00 176.42 2zml s HIS 84 N -2.87 -0.43 0.79 1.56 -3.43 -1.25 -5.12 115.29 104.54 2zml s HIS 84 Ca -0.02 0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 54.94 2zml s HIS 84 Cb 0.09 0.26 0.07 0.00 -1.43 0.00 0.00 32.58 31.57 2zml s HIS 84 CO 0.84 -0.21 1.11 -2.14 -2.00 0.00 0.00 174.74 172.33 2zml s PRO 85 N 1.78 2.04 -0.17 -0.38 0.02 -1.26 -3.87 135.00 133.16 2zml s PRO 85 Ca -0.05 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 2zml s PRO 85 Cb -0.04 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 32.76 2zml s PRO 85 CO -0.15 -1.82 1.08 0.00 -0.33 0.00 0.00 177.00 175.78 2zml s ALA 86 N -2.79 -1.98 -0.09 -1.55 0.00 -1.26 -4.25 121.76 109.85 2zml s ALA 86 Ca 0.63 1.58 0.05 0.00 0.00 0.00 0.00 51.96 54.21 2zml s ALA 86 Cb -0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 2zml s ALA 86 CO 0.55 -0.39 -0.02 -0.25 0.00 0.00 0.00 175.76 175.66 2zml n ASP 87 N 0.44 3.10 0.00 0.00 9.92 0.41 -3.06 116.55 127.36 2zml n ASP 87 Ca -0.06 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2zml n ASP 87 Cb 0.59 0.39 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 2zml n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2zml n GLY 88 N 2.69 0.90 3.28 0.44 0.00 -1.12 -0.91 105.19 110.49 2zml n GLY 88 Ca -0.15 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 2zml n GLY 88 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2zml s LEU 89 N 0.00 2.32 0.06 0.99 0.05 -1.07 -2.29 118.68 118.74 2zml s LEU 89 Ca 0.00 -1.13 -0.05 0.00 0.05 0.00 0.00 54.13 53.01 2zml s LEU 89 Cb 0.00 -0.26 -0.02 0.00 -2.05 0.00 0.00 46.19 43.86 2zml s LEU 89 CO 0.00 -0.45 0.08 0.68 -0.55 0.00 0.00 176.35 176.11 2zml s VAL 90 N -3.42 0.17 -0.18 1.48 -7.23 0.51 -0.66 120.40 111.06 2zml s VAL 90 Ca 0.23 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.00 2zml s VAL 90 Cb 0.04 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2zml s VAL 90 CO 0.04 -0.75 -0.05 0.12 -0.31 0.00 0.00 175.10 174.15 2zml s PHE 91 N -3.42 2.95 0.25 2.82 5.36 0.20 -2.07 117.98 124.07 2zml s PHE 91 Ca 0.02 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 2zml s PHE 91 Cb 0.04 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.65 2zml s PHE 91 CO -0.08 -0.32 0.06 -0.59 -1.46 0.00 0.00 175.22 172.83 2zml s PHE 92 N 0.93 1.53 -0.05 10.12 -0.71 -0.62 0.03 117.98 129.22 2zml s PHE 92 Ca -0.01 -1.09 -0.00 0.00 -1.04 0.00 0.00 56.93 54.79 2zml s PHE 92 Cb -0.15 -0.91 0.03 0.00 -1.21 0.00 0.00 43.02 40.78 2zml s PHE 92 CO 0.01 -0.23 0.00 0.42 -1.34 0.00 0.00 175.22 174.07 2zml s ILE 93 N -3.64 0.26 0.28 -4.49 1.01 0.18 -2.18 121.20 112.61 2zml s ILE 93 Ca 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 2zml s ILE 93 Cb 0.07 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2zml s ILE 93 CO 0.11 0.20 0.33 0.00 0.00 0.00 0.00 174.94 175.58 2zml s ALA 94 N 1.46 0.92 0.80 9.38 0.00 -0.89 -1.68 121.76 131.73 2zml s ALA 94 Ca -0.03 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 2zml s ALA 94 Cb -0.13 1.28 0.07 0.00 0.00 0.00 0.00 23.12 24.34 2zml s ALA 94 CO -0.03 -0.72 1.12 -2.14 0.00 0.00 0.00 175.76 173.99 2zml s PRO 95 N -3.66 1.97 0.71 0.00 0.02 -1.26 -1.00 135.00 131.78 2zml s PRO 95 Ca 0.34 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 2zml s PRO 95 Cb 0.02 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.71 2zml s PRO 95 CO 0.17 -1.89 1.06 -1.25 -0.33 0.00 0.00 177.00 174.77 2zml s PRO 96 N -4.67 2.85 -1.10 5.54 0.04 -1.26 -4.05 135.00 132.35 2zml s PRO 96 Ca 0.64 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2zml s PRO 96 Cb -0.20 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2zml s PRO 96 CO 0.54 -1.14 0.00 0.09 0.04 0.00 0.00 177.00 176.53 2zml n ASN 97 N -3.14 -4.02 -4.90 6.66 5.03 -1.26 -5.03 115.26 108.59 2zml n ASN 97 Ca 0.07 0.09 -0.28 0.00 0.87 0.00 0.00 54.58 55.33 2zml n ASN 97 Cb 0.54 -3.02 -0.00 0.00 -1.02 0.00 0.00 39.78 36.27 2zml n ASN 97 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2zml s THR 98 N -2.55 4.89 0.25 3.41 -4.23 -1.26 -5.09 115.64 111.06 2zml s THR 98 Ca 0.00 0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 2zml s THR 98 Cb 0.00 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2zml s THR 98 CO 0.00 -0.85 0.11 -1.10 -0.54 0.00 0.00 174.62 172.24 2zml s GLN 99 N -4.70 2.65 0.28 3.99 -0.21 -1.26 -5.07 119.66 115.34 2zml s GLN 99 Ca 0.48 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 2zml s GLN 99 Cb -0.10 -2.40 -0.13 0.00 1.00 0.00 0.00 33.01 31.38 2zml s GLN 99 CO 0.44 0.39 1.39 2.41 -2.12 0.00 0.00 175.29 177.80 2zml n THR 100 N -0.99 1.29 -0.88 -0.19 -1.04 -1.26 -4.95 114.28 106.25 2zml n THR 100 Ca -0.07 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2zml n THR 100 Cb 0.58 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 2zml n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zml n GLY 101 N 1.72 0.73 3.76 3.41 0.00 0.12 -4.97 105.19 109.96 2zml n GLY 101 Ca 0.09 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 2zml n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2zml s GLU 102 N 1.57 3.13 0.00 1.61 2.56 0.15 -4.56 118.70 123.16 2zml s GLU 102 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.66 2zml s GLU 102 Cb 0.00 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 34.16 2zml s GLU 102 CO 0.00 -1.04 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 2zml n GLY 103 N 0.27 1.19 7.00 -1.50 0.00 -1.26 -0.14 105.19 110.75 2zml n GLY 103 Ca 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2zml n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zml n GLY 104 N 5.00 2.11 0.00 -0.02 0.00 -1.25 -1.59 105.19 109.44 2zml n GLY 104 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2zml n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zml n GLY 105 N 0.00 -0.17 0.83 -0.02 0.00 -1.26 -0.98 105.19 103.58 2zml n GLY 105 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2zml n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zml n TYR 106 N -1.16 0.08 -0.39 1.61 4.01 -0.62 -4.95 117.16 115.75 2zml n TYR 106 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2zml n TYR 106 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2zml n TYR 106 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2zml n PHE 107 N 0.98 0.00 -0.57 -0.72 3.72 -0.15 -1.71 117.46 119.00 2zml n PHE 107 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2zml n PHE 107 Cb 0.51 -1.23 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 2zml n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2zml n GLY 108 N -0.83 0.70 0.00 1.37 0.00 0.81 -3.27 105.19 103.97 2zml n GLY 108 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2zml n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2zml n ILE 109 N -2.57 0.00 -4.47 -0.61 -5.35 -0.69 0.12 119.36 105.79 2zml n ILE 109 Ca 0.00 -0.25 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 2zml n ILE 109 Cb 0.00 0.68 -0.12 0.00 -1.74 0.00 0.00 39.64 38.46 2zml n ILE 109 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2zml s TYR 110 N -2.09 2.99 -0.37 4.28 5.04 -1.22 -4.74 117.35 121.25 2zml s TYR 110 Ca 0.00 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 2zml s TYR 110 Cb 0.05 -1.92 0.12 0.00 0.35 0.00 0.00 41.96 40.55 2zml s TYR 110 CO 0.31 -0.02 0.15 1.21 -1.34 0.00 0.00 175.55 175.86 2zml s ASN 111 N 0.26 3.95 0.52 4.32 2.47 -1.26 -0.68 114.94 124.51 2zml s ASN 111 Ca -0.04 -2.12 0.31 0.00 0.42 0.00 0.00 52.86 51.43 2zml s ASN 111 Cb -0.14 -1.02 1.44 0.00 -1.45 0.00 0.00 41.25 40.07 2zml s ASN 111 CO 0.03 -0.35 1.85 -0.65 -3.72 0.00 0.00 177.10 174.27 2zml h PRO 112 N 7.45 0.07 -0.49 0.43 0.11 -1.99 -0.10 132.00 137.47 2zml h PRO 112 Ca -0.07 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 2zml h PRO 112 Cb 0.98 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2zml h PRO 112 CO 0.48 0.04 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.06 2zml h LEU 113 N 0.07 1.02 -5.83 2.35 4.07 -2.05 -3.37 115.31 111.56 2zml h LEU 113 Ca 0.48 -0.38 -0.50 0.00 0.08 0.00 0.00 57.88 57.56 2zml h LEU 113 Cb 1.80 -0.28 -0.35 0.00 1.08 0.00 0.00 40.66 42.91 2zml h LEU 113 CO -0.05 1.17 -1.01 -1.54 -1.08 0.00 0.00 178.44 175.94 2zml n SER 114 N -4.14 -0.32 -4.70 -0.43 3.41 -0.50 -5.13 113.62 101.82 2zml n SER 114 Ca 0.00 -2.81 -0.44 0.00 -0.26 0.00 0.00 58.87 55.37 2zml n SER 114 Cb 0.44 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2zml n SER 114 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2zml n PRO 115 N 1.40 2.32 -4.67 4.33 -0.02 -0.17 -4.75 135.00 133.45 2zml n PRO 115 Ca 0.19 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 62.22 2zml n PRO 115 Cb 0.55 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 2zml n PRO 115 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2zml s TYR 116 N 0.15 2.11 0.70 6.00 -0.85 -1.26 -5.05 117.35 119.15 2zml s TYR 116 Ca 0.68 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 56.69 2zml s TYR 116 Cb -0.59 -1.23 0.02 0.00 0.38 0.00 0.00 41.96 40.54 2zml s TYR 116 CO 0.47 0.16 1.17 -1.25 -1.52 0.00 0.00 175.55 174.58 2zml s PRO 117 N -1.44 2.39 -0.08 -3.49 0.04 -1.26 -4.94 135.00 126.21 2zml s PRO 117 Ca 0.10 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2zml s PRO 117 Cb -0.10 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2zml s PRO 117 CO 0.03 -1.61 0.95 -0.59 0.04 0.00 0.00 177.00 175.82 2zml s PHE 118 N -2.12 -0.34 -0.08 0.56 -0.12 -1.26 -4.08 117.98 110.54 2zml s PHE 118 Ca 0.71 0.36 0.04 0.00 -0.05 0.00 0.00 56.93 57.99 2zml s PHE 118 Cb -0.26 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 2zml s PHE 118 CO 0.44 -0.44 -0.19 0.08 -0.05 0.00 0.00 175.22 175.05 2zml s VAL 119 N -2.31 1.66 0.01 -2.49 1.01 -0.68 -0.04 120.40 117.56 2zml s VAL 119 Ca 0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2zml s VAL 119 Cb -0.01 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2zml s VAL 119 CO -0.05 0.47 0.24 0.00 0.00 0.00 0.00 175.10 175.77 2zml s ALA 120 N 0.40 -0.57 -0.23 5.51 0.00 0.06 -0.65 121.76 126.28 2zml s ALA 120 Ca -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 2zml s ALA 120 Cb -0.16 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2zml s ALA 120 CO 0.06 -0.29 -0.05 0.08 0.00 0.00 0.00 175.76 175.57 2zml s VAL 121 N -1.75 3.24 0.10 0.00 1.01 0.10 -0.19 120.40 122.91 2zml s VAL 121 Ca -0.11 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2zml s VAL 121 Cb -0.04 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2zml s VAL 121 CO 0.01 0.37 0.04 -1.83 0.00 0.00 0.00 175.10 173.70 2zml s GLU 122 N 1.44 2.71 -0.57 2.72 -1.05 0.06 -0.63 118.70 123.38 2zml s GLU 122 Ca 0.05 -0.79 0.04 0.00 -0.15 0.00 0.00 54.97 54.11 2zml s GLU 122 Cb -0.15 -2.62 0.15 0.00 -0.44 0.00 0.00 34.13 31.07 2zml s GLU 122 CO -0.04 0.54 0.35 -0.06 0.95 0.00 0.00 175.26 177.00 2zml s PHE 123 N -1.40 2.99 -0.15 4.83 0.08 0.17 -1.36 117.98 123.14 2zml s PHE 123 Ca 0.28 -3.06 -0.27 0.00 0.12 0.00 0.00 56.93 54.00 2zml s PHE 123 Cb -0.12 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 2zml s PHE 123 CO 0.20 -0.68 0.92 0.34 -0.10 0.00 0.00 175.22 175.90 2zml s ASP 124 N -0.61 7.08 -0.01 1.36 -1.08 -0.65 -2.59 116.67 120.17 2zml s ASP 124 Ca 0.21 1.33 0.10 0.00 -0.52 0.00 0.00 52.55 53.67 2zml s ASP 124 Cb -0.15 -2.50 -0.13 0.00 -1.46 0.00 0.00 42.92 38.68 2zml s ASP 124 CO -0.08 -0.44 0.36 0.35 0.52 0.00 0.00 175.17 175.88 2zml n THR 125 N 4.70 0.00 -5.08 1.71 -2.24 -0.08 -1.76 114.28 111.53 2zml n THR 125 Ca 0.07 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 2zml n THR 125 Cb 0.49 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 2zml n THR 125 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2zml s PHE 126 N -2.25 2.56 -0.62 4.78 5.36 -1.16 -4.72 117.98 121.93 2zml s PHE 126 Ca 0.01 -0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 55.30 2zml s PHE 126 Cb 0.07 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 41.20 2zml s PHE 126 CO 0.42 -0.04 0.89 0.50 -1.46 0.00 0.00 175.22 175.53 2zml s ARG 127 N -0.38 3.13 0.82 10.12 3.52 -1.26 -4.96 118.95 129.94 2zml s ARG 127 Ca 0.03 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.70 2zml s ARG 127 Cb -0.12 -4.20 0.12 0.00 -1.56 0.00 0.00 34.95 29.19 2zml s ARG 127 CO 0.02 -1.67 1.16 -0.80 -0.81 0.00 0.00 175.30 173.20 2zml s ASN 128 N 3.45 4.15 0.51 -2.12 -0.87 -1.26 -4.91 114.94 113.90 2zml s ASN 128 Ca 0.21 0.43 0.20 0.00 -1.57 0.00 0.00 52.86 52.13 2zml s ASN 128 Cb -0.18 -0.82 1.28 0.00 -0.02 0.00 0.00 41.25 41.51 2zml s ASN 128 CO 0.11 -2.07 2.04 0.71 -2.57 0.00 0.00 177.10 175.32 2zml h THR 129 N -1.06 0.86 -0.11 1.60 1.35 -2.00 -0.91 112.91 112.63 2zml h THR 129 Ca -0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2zml h THR 129 Cb 1.29 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2zml h THR 129 CO 0.54 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.15 2zml n TRP 130 N -4.45 0.13 -3.96 4.73 2.14 -1.26 -4.95 117.44 109.82 2zml n TRP 130 Ca 0.05 -0.07 -0.25 0.00 2.07 0.00 0.00 57.50 59.30 2zml n TRP 130 Cb 0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.86 2zml n TRP 130 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2zml s ASP 131 N -1.75 6.27 0.62 -0.67 1.01 -0.35 -4.88 116.67 116.92 2zml s ASP 131 Ca 0.35 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.73 2zml s ASP 131 Cb 0.19 -1.87 0.08 0.00 1.01 0.00 0.00 42.92 42.34 2zml s ASP 131 CO 0.29 0.03 0.54 -0.81 0.21 0.00 0.00 175.17 175.44 2zml n PRO 132 N -0.66 0.14 -1.65 8.23 -0.04 -1.26 -4.79 135.00 134.97 2zml n PRO 132 Ca -0.07 -1.39 -0.41 0.00 -0.04 0.00 0.00 63.50 61.59 2zml n PRO 132 Cb 0.54 -0.39 0.01 0.00 -0.04 0.00 0.00 33.50 33.63 2zml n PRO 132 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2zml n GLN 133 N -2.02 1.58 -4.26 0.54 7.27 -1.26 -4.84 117.38 114.39 2zml n GLN 133 Ca 0.09 0.57 -0.23 0.00 0.07 0.00 0.00 57.00 57.49 2zml n GLN 133 Cb 0.31 -2.18 -0.07 0.00 2.41 0.00 0.00 30.24 30.71 2zml n GLN 133 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2zml s ILE 134 N -1.23 3.64 0.68 1.69 -5.25 -1.26 -4.32 121.20 115.15 2zml s ILE 134 Ca 0.62 -1.79 -0.11 0.00 -0.99 0.00 0.00 60.65 58.38 2zml s ILE 134 Cb -0.54 -2.94 -0.00 0.00 2.95 0.00 0.00 42.46 41.92 2zml s ILE 134 CO 0.57 -0.35 1.05 -2.84 -1.79 0.00 0.00 174.94 171.58 2zml s PRO 135 N -3.66 3.08 0.03 0.37 0.02 -1.26 -4.98 135.00 128.61 2zml s PRO 135 Ca 0.31 0.92 -0.19 0.00 0.02 0.00 0.00 61.00 62.07 2zml s PRO 135 Cb -0.07 -2.01 0.04 0.00 0.02 0.00 0.00 34.50 32.48 2zml s PRO 135 CO 0.21 -0.98 0.43 -3.38 -0.33 0.00 0.00 177.00 172.94 2zml s HIS 136 N -3.05 -0.30 0.01 6.54 -3.43 -0.72 -2.23 115.29 112.10 2zml s HIS 136 Ca 0.58 0.32 -0.11 0.00 -0.80 0.00 0.00 55.06 55.05 2zml s HIS 136 Cb -0.13 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.19 2zml s HIS 136 CO 0.54 -0.56 0.35 0.42 -2.00 0.00 0.00 174.74 173.49 2zml s ILE 137 N -2.22 5.15 0.01 -5.38 1.01 0.14 -1.64 121.20 118.26 2zml s ILE 137 Ca -0.07 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 2zml s ILE 137 Cb -0.01 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 2zml s ILE 137 CO -0.00 0.47 0.09 -0.83 0.00 0.00 0.00 174.94 174.66 2zml s GLY 138 N -1.37 0.10 -0.26 6.18 0.00 -0.46 -1.42 107.32 110.08 2zml s GLY 138 Ca 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 2zml s GLY 138 CO 0.14 -0.38 0.07 -0.42 0.00 0.00 0.00 173.10 172.51 2zml s ILE 139 N -1.40 4.21 -0.14 0.90 1.01 -0.86 -0.76 121.20 124.16 2zml s ILE 139 Ca -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2zml s ILE 139 Cb -0.08 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 2zml s ILE 139 CO 0.01 0.29 -0.09 -1.81 0.00 0.00 0.00 174.94 173.33 2zml s ASP 140 N 1.59 4.35 -0.26 3.58 1.01 0.74 -0.84 116.67 126.82 2zml s ASP 140 Ca 0.06 -0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.10 2zml s ASP 140 Cb -0.15 -1.67 0.07 0.00 1.01 0.00 0.00 42.92 42.17 2zml s ASP 140 CO 0.03 0.17 -0.07 -0.69 0.21 0.00 0.00 175.17 174.83 2zml s VAL 141 N 0.33 1.96 0.00 -1.27 1.01 -1.26 -0.76 120.40 120.40 2zml s VAL 141 Ca -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2zml s VAL 141 Cb -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2zml s VAL 141 CO 0.05 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.60 2zml n ASN 142 N 4.49 -3.44 -3.69 3.32 3.02 0.94 -4.85 115.26 115.04 2zml n ASN 142 Ca -0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.34 2zml n ASN 142 Cb 0.43 -2.66 -0.05 0.00 -0.61 0.00 0.00 39.78 36.89 2zml n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2zml s SER 143 N -1.61 -0.21 0.00 6.41 0.15 -1.26 -4.89 113.70 112.28 2zml s SER 143 Ca 0.00 -0.42 0.26 0.00 0.70 0.00 0.00 55.95 56.50 2zml s SER 143 Cb 0.00 0.50 0.70 0.00 -1.71 0.00 0.00 66.02 65.50 2zml s SER 143 CO 0.00 -0.91 1.54 0.52 1.20 0.00 0.00 173.24 175.60 2zml n VAL 144 N -0.25 0.00 -3.06 4.45 0.31 -1.26 -4.60 118.33 113.91 2zml n VAL 144 Ca -0.14 -0.32 -0.45 0.00 -0.01 0.00 0.00 64.34 63.42 2zml n VAL 144 Cb 0.63 0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 34.39 2zml n VAL 144 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2zml s ILE 145 N -2.06 4.99 0.47 2.52 1.01 -1.26 -5.00 121.20 121.86 2zml s ILE 145 Ca 0.33 -1.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.03 2zml s ILE 145 Cb 0.20 -4.65 -0.12 0.00 0.01 0.00 0.00 42.46 37.91 2zml s ILE 145 CO 0.35 -1.32 0.52 -1.20 0.00 0.00 0.00 174.94 173.28 2zml n SER 146 N 5.80 -1.01 0.08 3.58 7.64 -1.26 -4.81 113.62 123.64 2zml n SER 146 Ca 0.16 0.85 -0.19 0.00 1.01 0.00 0.00 58.87 60.70 2zml n SER 146 Cb 0.48 -1.12 -0.15 0.00 -1.01 0.00 0.00 64.21 62.41 2zml n SER 146 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2zml h THR 147 N 0.63 1.14 -3.94 0.44 1.35 -1.38 -3.46 112.91 107.69 2zml h THR 147 Ca -0.42 -2.73 -0.29 0.00 -0.55 0.00 0.00 66.41 62.42 2zml h THR 147 Cb 1.40 2.82 -0.24 0.00 -1.73 0.00 0.00 68.15 70.40 2zml h THR 147 CO 0.50 0.83 -0.74 -0.75 -0.25 0.00 0.00 175.52 175.11 2zml s LYS 148 N -2.61 0.48 -0.02 4.72 2.47 -1.25 -5.02 119.74 118.50 2zml s LYS 148 Ca -0.10 -0.53 -0.04 0.00 -1.56 0.00 0.00 55.97 53.73 2zml s LYS 148 Cb 0.06 -0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.11 2zml s LYS 148 CO 0.87 0.07 0.10 0.99 0.16 0.00 0.00 175.35 177.54 2zml s THR 149 N -0.89 0.03 -0.06 3.43 2.01 -1.26 -2.04 115.64 116.86 2zml s THR 149 Ca -0.06 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2zml s THR 149 Cb -0.07 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.23 2zml s THR 149 CO 0.00 -0.16 0.14 0.54 -0.69 0.00 0.00 174.62 174.45 2zml s VAL 150 N -0.49 -0.05 0.48 3.82 0.11 -0.51 -4.98 120.40 118.78 2zml s VAL 150 Ca -0.06 0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.97 2zml s VAL 150 Cb -0.04 -0.23 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 2zml s VAL 150 CO 0.00 0.07 1.00 -2.16 -3.33 0.00 0.00 175.10 170.69 2zml s PRO 151 N 1.12 3.94 0.08 1.54 0.04 -1.26 0.23 135.00 140.69 2zml s PRO 151 Ca -0.09 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2zml s PRO 151 Cb -0.11 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2zml s PRO 151 CO -0.06 -0.30 0.29 -0.59 0.04 0.00 0.00 177.00 176.39 2zml s PHE 152 N -2.16 -0.04 -0.26 0.56 -0.12 -0.95 -4.86 117.98 110.17 2zml s PHE 152 Ca 0.64 -0.26 -0.08 0.00 -0.05 0.00 0.00 56.93 57.18 2zml s PHE 152 Cb -0.13 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 2zml s PHE 152 CO 0.20 -0.57 0.10 0.99 -0.05 0.00 0.00 175.22 175.88 2zml s THR 153 N -3.37 4.55 0.51 -4.49 2.01 -1.26 -3.98 115.64 109.60 2zml s THR 153 Ca 0.01 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 2zml s THR 153 Cb 0.02 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2zml s THR 153 CO -0.09 0.32 1.13 -0.22 -0.69 0.00 0.00 174.62 175.08 2zml s LEU 154 N 1.63 3.84 -0.76 4.42 2.96 -1.26 -4.98 118.68 124.53 2zml s LEU 154 Ca 0.06 2.20 -0.10 0.00 -0.22 0.00 0.00 54.13 56.07 2zml s LEU 154 Cb -0.15 -4.47 0.20 0.00 0.50 0.00 0.00 46.19 42.27 2zml s LEU 154 CO 0.05 -1.09 0.66 -0.62 -1.32 0.00 0.00 176.35 174.03 2zml s ASP 155 N -1.65 6.25 -0.42 3.68 2.15 -1.26 -5.01 116.67 120.41 2zml s ASP 155 Ca 0.69 -2.75 -0.42 0.00 0.43 0.00 0.00 52.55 50.50 2zml s ASP 155 Cb -0.25 -2.09 -0.17 0.00 -0.30 0.00 0.00 42.92 40.11 2zml s ASP 155 CO 0.29 -0.50 1.91 -3.20 -0.17 0.00 0.00 175.17 173.50 2zml n ASN 156 N 3.80 1.55 0.00 -0.34 2.85 -1.26 0.11 115.26 121.97 2zml n ASN 156 Ca 0.12 0.86 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 2zml n ASN 156 Cb 0.44 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.43 2zml n ASN 156 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2zml n GLY 157 N 5.61 0.56 3.94 8.20 0.00 -0.45 -4.94 105.19 118.11 2zml n GLY 157 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 2zml n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zml s GLY 158 N -2.00 1.77 -0.07 -0.02 0.00 0.31 -4.86 107.32 102.44 2zml s GLY 158 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 2zml s GLY 158 CO 0.00 -0.59 0.24 -0.42 0.00 0.00 0.00 173.10 172.33 2zml s ILE 159 N -3.70 5.34 -0.05 0.90 1.01 -1.26 -4.29 121.20 119.15 2zml s ILE 159 Ca 0.71 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.82 2zml s ILE 159 Cb -0.05 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 2zml s ILE 159 CO 0.51 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.82 2zml s ALA 160 N -1.07 1.83 -0.16 9.38 0.00 -0.54 -4.20 121.76 126.99 2zml s ALA 160 Ca 0.19 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2zml s ALA 160 Cb -0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2zml s ALA 160 CO 0.08 0.36 -0.02 -0.80 0.00 0.00 0.00 175.76 175.37 2zml s ASN 161 N -0.11 4.88 -0.04 0.00 0.01 0.11 -2.00 114.94 117.78 2zml s ASN 161 Ca -0.02 -0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.07 2zml s ASN 161 Cb -0.12 -1.81 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 2zml s ASN 161 CO 0.02 0.16 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.87 2zml s VAL 162 N 0.43 1.77 -0.11 1.60 1.01 -0.29 -0.47 120.40 124.34 2zml s VAL 162 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2zml s VAL 162 Cb -0.14 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2zml s VAL 162 CO 0.03 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 2zml s VAL 163 N -0.20 1.35 -0.10 2.92 1.01 -0.68 -2.04 120.40 122.66 2zml s VAL 163 Ca -0.00 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2zml s VAL 163 Cb -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2zml s VAL 163 CO 0.02 0.42 -0.20 -0.63 0.00 0.00 0.00 175.10 174.71 2zml s ILE 164 N 1.22 1.77 -0.01 2.22 1.01 0.33 -0.57 121.20 127.16 2zml s ILE 164 Ca -0.03 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2zml s ILE 164 Cb -0.14 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 2zml s ILE 164 CO -0.04 0.50 -0.10 -0.75 0.00 0.00 0.00 174.94 174.54 2zml s LYS 165 N 0.61 0.92 -0.12 2.79 2.20 -0.43 -0.47 119.74 125.24 2zml s LYS 165 Ca -0.14 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2zml s LYS 165 Cb -0.17 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.30 2zml s LYS 165 CO 0.04 0.19 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.63 2zml s TYR 166 N -0.11 1.89 -0.42 4.03 5.04 0.46 -1.44 117.35 126.81 2zml s TYR 166 Ca 0.02 -0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 53.55 2zml s TYR 166 Cb -0.06 -1.41 0.03 0.00 0.35 0.00 0.00 41.96 40.88 2zml s TYR 166 CO -0.00 -0.53 0.31 0.34 -1.34 0.00 0.00 175.55 174.32 2zml s ASP 167 N 1.28 6.05 0.24 4.32 2.15 -0.64 -2.22 116.67 127.85 2zml s ASP 167 Ca -0.01 -1.03 -0.07 0.00 0.43 0.00 0.00 52.55 51.87 2zml s ASP 167 Cb -0.14 -2.14 0.24 0.00 -0.30 0.00 0.00 42.92 40.58 2zml s ASP 167 CO -0.06 -0.49 1.92 0.00 -0.17 0.00 0.00 175.17 176.37 2zml h ALA 168 N 8.62 1.21 -0.39 3.66 0.00 -1.88 0.94 119.26 131.43 2zml h ALA 168 Ca -0.27 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2zml h ALA 168 Cb 1.11 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2zml h ALA 168 CO 0.76 0.61 -0.06 0.66 0.00 0.00 0.00 179.25 181.22 2zml h SER 169 N 1.29 0.62 0.00 0.00 4.64 -1.93 -3.13 113.55 115.04 2zml h SER 169 Ca 0.35 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2zml h SER 169 Cb -0.14 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 2zml h SER 169 CO -0.07 0.73 -1.48 0.35 -0.87 0.00 0.00 176.83 175.48 2zml n THR 170 N -4.21 0.00 -1.91 2.95 -2.24 -1.11 -4.97 114.28 102.78 2zml n THR 170 Ca 0.02 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 2zml n THR 170 Cb 0.31 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2zml n THR 170 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2zml n LYS 171 N -1.88 -1.06 -3.35 -0.78 5.02 0.32 -4.94 118.16 111.49 2zml n LYS 171 Ca -0.01 0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 56.72 2zml n LYS 171 Cb 0.42 -5.02 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 2zml n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2zml s ILE 172 N -2.63 5.20 -0.28 -0.18 1.01 -1.15 -1.26 121.20 121.92 2zml s ILE 172 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 60.65 61.45 2zml s ILE 172 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2zml s ILE 172 CO 0.00 0.32 0.05 -0.22 0.00 0.00 0.00 174.94 175.08 2zml s LEU 173 N 0.76 3.66 -0.06 2.97 2.96 0.56 -1.62 118.68 127.91 2zml s LEU 173 Ca 0.23 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2zml s LEU 173 Cb -0.15 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 2zml s LEU 173 CO 0.09 -0.17 -0.20 -1.38 -1.32 0.00 0.00 176.35 173.37 2zml s HIS 174 N 1.46 2.05 0.05 5.38 -3.43 -0.52 -1.22 115.29 119.06 2zml s HIS 174 Ca 0.02 -0.68 0.09 0.00 -0.80 0.00 0.00 55.06 53.68 2zml s HIS 174 Cb -0.17 -1.38 -0.03 0.00 -1.43 0.00 0.00 32.58 29.57 2zml s HIS 174 CO 0.01 -0.25 -0.25 0.14 -2.00 0.00 0.00 174.74 172.39 2zml s VAL 175 N 0.15 2.00 -0.03 -5.38 -7.23 0.10 -1.31 120.40 108.70 2zml s VAL 175 Ca -0.09 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2zml s VAL 175 Cb -0.14 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2zml s VAL 175 CO 0.04 0.32 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.27 2zml s VAL 176 N -0.80 1.55 -0.12 1.32 1.01 0.26 -1.90 120.40 121.72 2zml s VAL 176 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2zml s VAL 176 Cb -0.10 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2zml s VAL 176 CO 0.02 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.17 2zml s LEU 177 N -0.17 1.81 -0.04 3.92 2.96 0.48 -1.69 118.68 125.95 2zml s LEU 177 Ca 0.00 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2zml s LEU 177 Cb -0.10 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.42 2zml s LEU 177 CO 0.01 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 2zml s VAL 178 N 0.97 0.89 -0.63 1.68 1.01 0.38 -0.64 120.40 124.06 2zml s VAL 178 Ca -0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2zml s VAL 178 Cb -0.15 -0.81 0.16 0.00 0.00 0.00 0.00 36.38 35.58 2zml s VAL 178 CO -0.02 0.28 0.46 -0.36 0.00 0.00 0.00 175.10 175.46 2zml s PHE 179 N 0.39 3.45 0.48 5.22 0.08 -0.95 0.06 117.98 126.71 2zml s PHE 179 Ca -0.07 -2.63 0.27 0.00 0.12 0.00 0.00 56.93 54.62 2zml s PHE 179 Cb -0.11 -3.26 1.33 0.00 -0.57 0.00 0.00 43.02 40.41 2zml s PHE 179 CO 0.01 -0.86 1.83 -1.00 -0.10 0.00 0.00 175.22 175.10 2zml h PRO 180 N 7.16 0.17 0.00 0.24 0.13 -1.85 0.15 132.00 137.99 2zml h PRO 180 Ca -0.01 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 2zml h PRO 180 Cb 0.97 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2zml h PRO 180 CO 0.72 0.11 -0.34 0.77 -0.23 0.00 0.00 178.00 179.02 2zml h SER 181 N 0.17 0.00 0.00 1.44 0.02 -1.94 -3.19 113.55 110.06 2zml h SER 181 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2zml h SER 181 Cb 1.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2zml h SER 181 CO -0.11 0.34 -1.38 0.18 -1.14 0.00 0.00 176.83 174.72 2zml n LEU 182 N -3.55 0.28 -0.27 5.07 4.77 -0.41 -4.99 117.00 117.91 2zml n LEU 182 Ca -0.00 -0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2zml n LEU 182 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2zml n LEU 182 CO 0.36 0.07 -0.03 0.61 -1.33 0.00 0.00 177.39 177.07 2zml n GLY 183 N 1.49 0.64 3.81 -0.72 0.00 0.38 -5.01 105.19 105.78 2zml n GLY 183 Ca -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2zml n GLY 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zml s THR 184 N -2.00 4.63 -0.07 2.61 -4.23 -1.20 -4.95 115.64 110.42 2zml s THR 184 Ca 0.00 1.26 0.02 0.00 -1.18 0.00 0.00 61.69 61.79 2zml s THR 184 Cb 0.00 -3.90 0.01 0.00 1.34 0.00 0.00 72.50 69.96 2zml s THR 184 CO 0.00 0.36 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.70 2zml s ILE 185 N -1.34 1.10 -0.02 2.99 1.01 -1.26 -2.24 121.20 121.45 2zml s ILE 185 Ca 0.37 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2zml s ILE 185 Cb -0.18 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 2zml s ILE 185 CO 0.21 0.35 -0.21 -0.31 0.00 0.00 0.00 174.94 174.98 2zml s TYR 186 N 0.79 1.91 0.03 3.97 2.02 0.19 -4.99 117.35 121.27 2zml s TYR 186 Ca -0.12 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2zml s TYR 186 Cb -0.15 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2zml s TYR 186 CO 0.02 -0.06 -0.07 -0.08 -1.57 0.00 0.00 175.55 173.79 2zml s THR 187 N -0.41 0.52 -0.12 -0.71 -1.32 -1.26 -0.39 115.64 111.95 2zml s THR 187 Ca 0.06 -0.78 -0.19 0.00 -1.21 0.00 0.00 61.69 59.56 2zml s THR 187 Cb -0.09 -0.54 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2zml s THR 187 CO -0.00 -0.20 0.49 -0.51 -2.21 0.00 0.00 174.62 172.20 2zml s ILE 188 N -0.93 0.01 0.07 5.08 2.07 -0.80 -4.98 121.20 121.73 2zml s ILE 188 Ca -0.05 -0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 58.97 2zml s ILE 188 Cb -0.07 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.78 2zml s ILE 188 CO 0.00 -0.06 0.23 0.00 -1.91 0.00 0.00 174.94 173.20 2zml s ALA 189 N -0.38 -0.39 0.16 1.50 0.00 -1.26 -0.72 121.76 120.68 2zml s ALA 189 Ca -0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 2zml s ALA 189 Cb -0.03 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.58 2zml s ALA 189 CO 0.03 -0.48 0.80 0.34 0.00 0.00 0.00 175.76 176.45 2zml s ASP 190 N -2.57 -0.32 -0.22 0.00 2.15 -0.36 -4.99 116.67 110.37 2zml s ASP 190 Ca 0.01 -0.30 -0.14 0.00 0.43 0.00 0.00 52.55 52.55 2zml s ASP 190 Cb 0.02 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2zml s ASP 190 CO -0.08 -1.00 0.30 -0.63 -0.17 0.00 0.00 175.17 173.59 2zml s ILE 191 N -3.54 5.26 -0.04 4.11 1.01 -1.26 -0.32 121.20 126.42 2zml s ILE 191 Ca 0.08 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2zml s ILE 191 Cb -0.03 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2zml s ILE 191 CO -0.02 0.29 -0.02 -0.69 0.00 0.00 0.00 174.94 174.50 2zml s VAL 192 N 1.20 0.32 -0.70 2.92 1.01 -0.39 -4.98 120.40 119.79 2zml s VAL 192 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 2zml s VAL 192 Cb -0.14 -0.39 0.18 0.00 0.00 0.00 0.00 36.38 36.03 2zml s VAL 192 CO 0.06 0.18 0.63 -0.62 0.00 0.00 0.00 175.10 175.35 2zml s ASP 193 N 0.98 6.36 0.21 3.32 -1.08 -1.26 -4.71 116.67 120.48 2zml s ASP 193 Ca -0.10 -2.43 -0.10 0.00 -0.52 0.00 0.00 52.55 49.40 2zml s ASP 193 Cb -0.14 -2.15 0.27 0.00 -1.46 0.00 0.00 42.92 39.44 2zml s ASP 193 CO -0.01 -0.63 1.74 -0.07 0.52 0.00 0.00 175.17 176.72 2zml h LEU 194 N 8.02 0.21 -2.00 -1.34 3.38 -1.97 -1.25 115.31 120.36 2zml h LEU 194 Ca -0.03 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2zml h LEU 194 Cb 1.05 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2zml h LEU 194 CO 0.83 0.13 0.45 0.50 0.09 0.00 0.00 178.44 180.43 2zml h LYS 195 N 0.39 0.00 0.00 1.13 3.64 -1.92 0.28 116.57 120.09 2zml h LYS 195 Ca 0.30 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2zml h LYS 195 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2zml h LYS 195 CO -0.31 0.00 -0.84 0.37 -2.27 0.00 0.00 179.45 176.40 2zml h GLN 196 N 0.00 0.00 0.00 1.90 5.75 -1.65 -3.40 115.11 117.71 2zml h GLN 196 Ca 0.28 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.63 2zml h GLN 196 Cb 1.17 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 2zml h GLN 196 CO -0.00 0.33 -1.68 1.33 -2.65 0.00 0.00 178.83 176.16 2zml n VAL 197 N -3.03 0.54 -4.40 2.39 0.24 -0.51 -5.06 118.33 108.50 2zml n VAL 197 Ca -0.02 -0.40 -0.24 0.00 -2.04 0.00 0.00 64.34 61.64 2zml n VAL 197 Cb 0.73 -0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 2zml n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2zml s LEU 198 N -4.52 2.78 0.77 1.34 1.43 -0.03 -4.70 118.68 115.74 2zml s LEU 198 Ca -0.05 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 2zml s LEU 198 Cb 0.04 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.99 2zml s LEU 198 CO 0.45 0.04 1.12 -2.16 0.23 0.00 0.00 176.35 176.02 2zml s PRO 199 N -3.43 2.34 0.32 1.29 0.04 -1.26 -4.67 135.00 129.63 2zml s PRO 199 Ca 0.29 0.43 0.05 0.00 0.04 0.00 0.00 61.00 61.82 2zml s PRO 199 Cb -0.06 -1.97 0.69 0.00 0.04 0.00 0.00 34.50 33.21 2zml s PRO 199 CO 0.16 -1.39 1.85 0.93 0.04 0.00 0.00 177.00 178.58 2zml h GLU 200 N -0.92 0.81 -5.90 4.56 5.08 -1.96 -3.41 114.58 112.84 2zml h GLU 200 Ca -0.46 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 2zml h GLU 200 Cb 1.28 -0.18 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 2zml h GLU 200 CO 0.63 0.54 -0.73 -1.12 -1.00 0.00 0.00 179.01 177.32 2zml s SER 201 N -5.71 4.30 0.28 1.42 0.01 -1.26 -1.03 113.70 111.71 2zml s SER 201 Ca -0.11 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.02 2zml s SER 201 Cb 0.22 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 2zml s SER 201 CO 0.80 0.29 0.24 0.68 0.41 0.00 0.00 173.24 175.65 2zml s VAL 202 N -0.36 0.00 0.07 3.43 -7.23 0.01 -4.26 120.40 112.06 2zml s VAL 202 Ca 0.04 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 2zml s VAL 202 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2zml s VAL 202 CO 0.02 0.00 -0.18 0.20 -0.31 0.00 0.00 175.10 174.83 2zml s ASN 203 N -3.28 3.85 0.10 4.85 0.02 -0.17 -0.80 114.94 119.50 2zml s ASN 203 Ca 0.39 -0.47 0.10 0.00 -1.02 0.00 0.00 52.86 51.86 2zml s ASN 203 Cb 0.04 -0.59 -0.03 0.00 0.02 0.00 0.00 41.25 40.68 2zml s ASN 203 CO 0.21 0.23 -0.25 0.68 0.02 0.00 0.00 177.10 177.99 2zml s VAL 204 N -1.01 2.05 -1.60 1.60 -7.23 -1.26 -2.10 120.40 110.84 2zml s VAL 204 Ca 0.16 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2zml s VAL 204 Cb -0.11 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.03 2zml s VAL 204 CO 0.07 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2zml n GLY 205 N 1.25 -0.88 3.38 2.32 0.00 -0.93 -1.66 105.19 108.67 2zml n GLY 205 Ca -0.18 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 2zml n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zml s PHE 206 N -3.00 1.89 -0.19 1.61 0.40 -0.19 -1.59 117.98 116.90 2zml s PHE 206 Ca 0.00 -0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 55.62 2zml s PHE 206 Cb 0.00 -0.86 0.06 0.00 0.51 0.00 0.00 43.02 42.73 2zml s PHE 206 CO 0.00 0.47 0.57 0.45 0.70 0.00 0.00 175.22 177.41 2zml s SER 207 N -3.38 -0.59 0.18 1.36 0.15 -0.88 -1.10 113.70 109.45 2zml s SER 207 Ca 0.25 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.88 2zml s SER 207 Cb -0.02 1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2zml s SER 207 CO 0.09 -0.25 0.29 0.00 1.20 0.00 0.00 173.24 174.57 2zml s ALA 208 N 0.08 0.09 -0.05 5.45 0.00 -0.62 -0.36 121.76 126.35 2zml s ALA 208 Ca -0.02 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 2zml s ALA 208 Cb -0.04 0.93 0.06 0.00 0.00 0.00 0.00 23.12 24.07 2zml s ALA 208 CO 0.02 -0.66 0.57 0.00 0.00 0.00 0.00 175.76 175.69 2zml s ALA 209 N -3.99 -1.47 0.55 0.00 0.00 -0.97 -2.35 121.76 113.52 2zml s ALA 209 Ca 0.20 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.29 2zml s ALA 209 Cb 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2zml s ALA 209 CO 0.02 -0.33 0.50 0.95 0.00 0.00 0.00 175.76 176.90 2zml s THR 210 N -1.12 1.77 0.11 0.00 -4.23 -0.40 0.16 115.64 111.92 2zml s THR 210 Ca -0.11 -1.37 -0.35 0.00 -1.18 0.00 0.00 61.69 58.68 2zml s THR 210 Cb -0.02 -2.14 -0.18 0.00 1.34 0.00 0.00 72.50 71.50 2zml s THR 210 CO 0.08 0.00 1.00 0.61 -0.54 0.00 0.00 174.62 175.77 2zml n GLY 211 N -1.88 -0.43 3.76 3.99 0.00 0.21 -3.94 105.19 106.90 2zml n GLY 211 Ca 0.03 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 2zml n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zml s ASP 212 N -0.18 7.49 0.31 1.61 2.15 -1.26 0.10 116.67 126.89 2zml s ASP 212 Ca 0.79 1.77 0.07 0.00 0.43 0.00 0.00 52.55 55.60 2zml s ASP 212 Cb -1.03 -2.55 0.78 0.00 -0.30 0.00 0.00 42.92 39.82 2zml s ASP 212 CO 0.54 0.13 1.76 -0.65 -0.17 0.00 0.00 175.17 176.78 2zml h PRO 213 N 4.57 0.67 -0.03 4.34 0.11 -1.93 -0.92 132.00 138.82 2zml h PRO 213 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2zml h PRO 213 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2zml h PRO 213 CO 0.68 0.45 0.33 0.66 -0.21 0.00 0.00 178.00 179.91 2zml h SER 214 N 0.69 0.00 0.75 -2.05 4.64 -1.99 0.88 113.55 116.48 2zml h SER 214 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2zml h SER 214 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2zml h SER 214 CO -0.42 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.11 2zml n GLY 215 N -1.24 -1.35 2.93 -0.77 0.00 -0.35 -4.91 105.19 99.50 2zml n GLY 215 Ca -0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2zml n GLY 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2zml n LYS 216 N -1.37 -3.20 -3.79 1.61 5.02 0.31 -4.95 118.16 111.78 2zml n LYS 216 Ca 0.10 0.63 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 2zml n LYS 216 Cb 0.30 -5.32 -0.15 0.00 -0.02 0.00 0.00 35.03 29.83 2zml n LYS 216 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2zml s GLN 217 N -5.56 0.90 0.53 1.97 -1.52 -1.26 -4.98 119.66 109.74 2zml s GLN 217 Ca 0.22 -0.94 0.33 0.00 -1.95 0.00 0.00 55.36 53.03 2zml s GLN 217 Cb -0.11 -2.19 1.36 0.00 -0.22 0.00 0.00 33.01 31.85 2zml s GLN 217 CO 0.27 -0.83 1.97 0.00 -0.25 0.00 0.00 175.29 176.46 2zml h ARG 218 N 8.08 0.00 0.00 2.91 3.08 -1.95 -2.35 114.38 124.15 2zml h ARG 218 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2zml h ARG 218 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2zml h ARG 218 CO 0.43 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.42 2zml n ASN 219 N -3.00 0.00 -4.14 7.04 4.13 -1.26 -4.38 115.26 113.65 2zml n ASN 219 Ca 0.01 0.48 -0.40 0.00 1.68 0.00 0.00 54.58 56.34 2zml n ASN 219 Cb 0.29 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.02 2zml n ASN 219 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2zml n ALA 220 N -1.49 3.89 -3.82 5.41 0.00 -0.88 -4.55 120.51 119.06 2zml n ALA 220 Ca 0.07 -3.64 -0.07 0.00 0.00 0.00 0.00 53.44 49.80 2zml n ALA 220 Cb 0.34 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.20 2zml n ALA 220 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2zml s THR 221 N 5.10 0.00 -0.00 0.00 -1.32 -1.25 0.65 115.64 118.82 2zml s THR 221 Ca 0.55 -1.02 -0.30 0.00 -1.21 0.00 0.00 61.69 59.71 2zml s THR 221 Cb 0.08 -2.11 0.11 0.00 -1.51 0.00 0.00 72.50 69.07 2zml s THR 221 CO 0.04 0.00 1.27 -1.83 -2.21 0.00 0.00 174.62 171.89 2zml s GLU 222 N -3.73 0.45 0.42 7.08 -1.05 -1.24 -4.12 118.70 116.50 2zml s GLU 222 Ca 0.12 -0.26 -0.03 0.00 -0.15 0.00 0.00 54.97 54.66 2zml s GLU 222 Cb -0.06 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2zml s GLU 222 CO 0.08 -0.21 0.67 0.95 0.95 0.00 0.00 175.26 177.70 2zml s THR 223 N -2.39 5.00 -0.41 1.83 -4.23 -1.02 -4.84 115.64 109.58 2zml s THR 223 Ca 0.17 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2zml s THR 223 Cb 0.04 -3.86 0.18 0.00 1.34 0.00 0.00 72.50 70.19 2zml s THR 223 CO -0.03 -0.70 0.37 1.41 -0.54 0.00 0.00 174.62 175.12 2zml n HIS 224 N -2.01 -0.96 -3.82 3.99 -0.00 -1.26 -3.93 115.22 107.24 2zml n HIS 224 Ca -0.02 -3.28 -0.36 0.00 -0.00 0.00 0.00 57.72 54.06 2zml n HIS 224 Cb 0.56 0.24 -0.07 0.00 -0.00 0.00 0.00 29.99 30.71 2zml n HIS 224 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2zml s ASP 225 N -0.04 6.20 -0.25 0.41 1.01 -0.57 -1.76 116.67 121.68 2zml s ASP 225 Ca 0.33 0.30 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 2zml s ASP 225 Cb 0.05 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 2zml s ASP 225 CO -0.19 0.26 0.08 -0.63 0.21 0.00 0.00 175.17 174.91 2zml s ILE 226 N -0.15 4.45 -0.05 0.77 -1.09 0.42 -0.19 121.20 125.36 2zml s ILE 226 Ca 0.10 -0.13 0.11 0.00 -2.23 0.00 0.00 60.65 58.51 2zml s ILE 226 Cb -0.11 -3.08 -0.23 0.00 -1.58 0.00 0.00 42.46 37.45 2zml s ILE 226 CO 0.00 0.34 0.64 0.18 -1.23 0.00 0.00 174.94 174.87 2zml n LEU 227 N 4.82 0.97 -3.45 2.97 4.32 0.58 -1.12 117.00 126.09 2zml n LEU 227 Ca -0.16 0.40 -0.11 0.00 -0.02 0.00 0.00 56.01 56.12 2zml n LEU 227 Cb 0.52 0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 42.39 2zml n LEU 227 CO 0.31 0.42 0.52 -0.94 -1.22 0.00 0.00 177.39 176.48 2zml s SER 228 N -6.14 -0.49 -0.29 -1.43 1.04 -1.23 -4.36 113.70 100.80 2zml s SER 228 Ca -0.06 0.00 -0.14 0.00 0.48 0.00 0.00 55.95 56.24 2zml s SER 228 Cb 0.08 0.51 0.13 0.00 0.10 0.00 0.00 66.02 66.84 2zml s SER 228 CO 0.82 -0.83 0.79 0.86 0.98 0.00 0.00 173.24 175.86 2zml s TRP 229 N -3.48 -1.00 0.07 5.02 -0.00 0.36 -2.18 118.94 117.73 2zml s TRP 229 Ca 0.03 1.84 0.07 0.00 -0.00 0.00 0.00 56.10 58.04 2zml s TRP 229 Cb -0.01 0.60 -0.03 0.00 -0.00 0.00 0.00 33.47 34.03 2zml s TRP 229 CO -0.11 -0.50 -0.20 -1.54 -0.00 0.00 0.00 176.95 174.60 2zml s SER 230 N 2.17 2.38 -0.01 5.86 1.04 -0.13 0.14 113.70 125.15 2zml s SER 230 Ca -0.07 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2zml s SER 230 Cb -0.07 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2zml s SER 230 CO -0.18 0.09 0.05 0.12 0.98 0.00 0.00 173.24 174.29 2zml s PHE 231 N -0.99 0.01 -0.11 5.02 2.19 0.90 -1.88 117.98 123.12 2zml s PHE 231 Ca 0.06 -0.00 -0.04 0.00 0.33 0.00 0.00 56.93 57.28 2zml s PHE 231 Cb -0.09 -0.02 0.06 0.00 -1.31 0.00 0.00 43.02 41.65 2zml s PHE 231 CO 0.03 -0.08 0.21 0.45 1.83 0.00 0.00 175.22 177.66 2zml s SER 232 N -0.38 0.53 0.01 6.13 0.15 0.16 -1.50 113.70 118.79 2zml s SER 232 Ca -0.04 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.13 2zml s SER 232 Cb -0.03 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2zml s SER 232 CO 0.00 -0.24 -0.16 0.00 1.20 0.00 0.00 173.24 174.04 2zml s ALA 233 N 2.33 1.37 -0.13 5.45 0.00 -0.41 -0.14 121.76 130.24 2zml s ALA 233 Ca 0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2zml s ALA 233 Cb -0.12 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.72 2zml s ALA 233 CO -0.07 0.32 -0.04 -1.12 0.00 0.00 0.00 175.76 174.85 2zml s SER 234 N -0.64 2.29 -0.49 0.00 0.01 0.96 -2.02 113.70 113.82 2zml s SER 234 Ca 0.06 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 2zml s SER 234 Cb -0.07 -0.73 0.12 0.00 0.21 0.00 0.00 66.02 65.55 2zml s SER 234 CO 0.00 -0.18 0.37 -0.22 0.41 0.00 0.00 173.24 173.63 2zml s LEU 235 N 1.77 5.77 0.46 2.44 0.20 0.08 -1.61 118.68 127.79 2zml s LEU 235 Ca 0.03 -1.93 -0.25 0.00 0.69 0.00 0.00 54.13 52.68 2zml s LEU 235 Cb -0.14 -2.04 -0.08 0.00 -0.43 0.00 0.00 46.19 43.51 2zml s LEU 235 CO -0.07 -0.71 1.43 -0.81 -0.29 0.00 0.00 176.35 175.90 2zml n PRO 236 N 4.92 2.20 -0.83 0.98 -0.04 -1.26 -0.96 135.00 140.01 2zml n PRO 236 Ca -0.08 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2zml n PRO 236 Cb 0.41 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2zml n PRO 236 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87