#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 4.13 -0.04 -0.18 2.01 -1.26 -1.62 115.64 118.68 2zml s THR 2 Ca 0.00 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 61.78 2zml s THR 2 Cb 0.00 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2zml s THR 2 CO 0.00 0.51 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.71 2zml s ILE 3 N 0.15 1.76 0.14 1.82 -1.16 -0.18 -4.98 121.20 118.74 2zml s ILE 3 Ca 0.00 -0.92 -0.22 0.00 -0.51 0.00 0.00 60.65 59.00 2zml s ILE 3 Cb -0.13 -1.49 0.06 0.00 0.61 0.00 0.00 42.46 41.51 2zml s ILE 3 CO 0.02 0.50 0.56 -0.94 -2.81 0.00 0.00 174.94 172.27 2zml s SER 4 N -0.25 -0.49 0.14 4.50 1.04 -1.26 -0.56 113.70 116.82 2zml s SER 4 Ca 0.01 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.20 2zml s SER 4 Cb -0.11 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.63 2zml s SER 4 CO 0.01 -0.91 0.54 0.72 0.98 0.00 0.00 173.24 174.58 2zml s PHE 5 N -3.56 -0.44 -0.09 5.02 -0.71 -0.27 -4.99 117.98 112.93 2zml s PHE 5 Ca 0.00 0.23 -0.07 0.00 -1.04 0.00 0.00 56.93 56.06 2zml s PHE 5 Cb -0.00 0.46 0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2zml s PHE 5 CO -0.11 -0.79 0.23 1.21 -1.34 0.00 0.00 175.22 174.42 2zml s ASN 6 N -2.69 -0.24 -0.23 1.98 2.47 -1.26 -1.43 114.94 113.54 2zml s ASN 6 Ca 0.01 0.47 -0.01 0.00 0.42 0.00 0.00 52.86 53.75 2zml s ASN 6 Cb -0.00 0.43 0.07 0.00 -1.45 0.00 0.00 41.25 40.30 2zml s ASN 6 CO -0.12 -0.11 0.01 -0.36 -3.72 0.00 0.00 177.10 172.80 2zml s PHE 7 N 0.51 1.70 -0.37 0.43 0.08 0.09 -4.96 117.98 115.46 2zml s PHE 7 Ca -0.03 -1.36 0.23 0.00 0.12 0.00 0.00 56.93 55.89 2zml s PHE 7 Cb -0.05 -1.36 0.41 0.00 -0.57 0.00 0.00 43.02 41.45 2zml s PHE 7 CO -0.03 -0.71 1.63 -0.91 -0.10 0.00 0.00 175.22 175.10 2zml h ASN 8 N 8.10 0.00 -5.11 1.36 -0.26 -1.89 -0.38 115.58 117.39 2zml h ASN 8 Ca -0.16 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.62 2zml h ASN 8 Cb 1.09 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.33 2zml h ASN 8 CO 0.39 0.04 0.35 0.00 -1.06 0.00 0.00 177.43 177.15 2zml s GLN 9 N -3.23 1.91 -0.07 0.81 0.00 -1.26 -4.68 119.66 113.14 2zml s GLN 9 Ca 0.06 -1.20 0.04 0.00 -0.00 0.00 0.00 55.36 54.27 2zml s GLN 9 Cb 0.06 0.56 0.00 0.00 0.00 0.00 0.00 33.01 33.62 2zml s GLN 9 CO 0.67 -0.89 -0.19 -0.06 0.00 0.00 0.00 175.29 174.82 2zml s PHE 10 N -2.59 1.98 0.09 9.60 0.08 -0.77 -4.98 117.98 121.39 2zml s PHE 10 Ca 0.16 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.55 2zml s PHE 10 Cb -0.04 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2zml s PHE 10 CO 0.09 -0.28 0.05 -1.01 -0.10 0.00 0.00 175.22 173.97 2zml s HIS 11 N 0.27 3.11 0.31 0.36 3.76 -1.26 -4.11 115.29 117.73 2zml s HIS 11 Ca -0.11 0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 2zml s HIS 11 Cb -0.15 -1.59 -0.10 0.00 1.11 0.00 0.00 32.58 31.85 2zml s HIS 11 CO 0.05 0.51 1.27 -0.65 -0.85 0.00 0.00 174.74 175.06 2zml s GLN 12 N -2.37 4.42 -0.14 1.40 -0.21 -1.26 -2.66 119.66 118.83 2zml s GLN 12 Ca 0.28 2.12 0.00 0.00 0.02 0.00 0.00 55.36 57.78 2zml s GLN 12 Cb -0.12 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.78 2zml s GLN 12 CO 0.21 -0.12 0.00 0.09 -2.12 0.00 0.00 175.29 173.35 2zml n ASN 13 N 1.09 -3.71 -4.72 5.90 4.13 -1.26 -4.95 115.26 111.74 2zml n ASN 13 Ca 0.00 0.03 -0.61 0.00 1.68 0.00 0.00 54.58 55.69 2zml n ASN 13 Cb 0.42 -1.32 -0.08 0.00 -1.54 0.00 0.00 39.78 37.26 2zml n ASN 13 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2zml n GLU 14 N -2.23 0.79 0.19 3.52 4.07 -1.09 -4.83 120.64 121.05 2zml n GLU 14 Ca -0.01 0.29 0.14 0.00 -0.06 0.00 0.00 57.16 57.52 2zml n GLU 14 Cb 0.13 -1.91 0.54 0.00 -0.06 0.00 0.00 31.44 30.14 2zml n GLU 14 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2zml h GLU 15 N 6.50 0.00 -0.62 5.31 4.11 -1.92 -3.10 114.58 124.86 2zml h GLU 15 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2zml h GLU 15 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2zml h GLU 15 CO 0.97 0.00 0.00 1.04 0.07 0.00 0.00 179.01 181.09 2zml n GLN 16 N -2.58 2.64 -4.82 1.06 1.13 -1.26 -4.84 117.38 108.70 2zml n GLN 16 Ca 0.02 -2.26 -0.25 0.00 -1.94 0.00 0.00 57.00 52.57 2zml n GLN 16 Cb 0.29 -1.56 -0.16 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.15 1.96 -0.34 1.08 1.43 -1.18 -0.48 118.68 120.01 2zml s LEU 17 Ca 0.42 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 2zml s LEU 17 Cb 0.23 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.55 2zml s LEU 17 CO 0.26 0.18 0.12 -0.54 0.23 0.00 0.00 176.35 176.60 2zml s LYS 18 N -0.15 2.81 -0.03 1.70 1.02 0.66 -4.79 119.74 120.97 2zml s LYS 18 Ca 0.01 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 54.79 2zml s LYS 18 Cb -0.09 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 2zml s LYS 18 CO 0.01 -0.61 0.40 -0.51 -0.92 0.00 0.00 175.35 173.72 2zml s LEU 19 N 1.47 4.43 0.05 3.17 1.02 -1.26 -1.15 118.68 126.41 2zml s LEU 19 Ca 0.01 0.89 0.06 0.00 0.02 0.00 0.00 54.13 55.11 2zml s LEU 19 Cb -0.19 -2.56 -0.03 0.00 0.02 0.00 0.00 46.19 43.43 2zml s LEU 19 CO 0.04 0.27 -0.16 -1.10 0.02 0.00 0.00 176.35 175.42 2zml s GLN 20 N -0.76 0.98 6.21 1.70 -0.21 -0.76 -4.99 119.66 121.83 2zml s GLN 20 Ca 0.23 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2zml s GLN 20 Cb -0.16 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.82 2zml s GLN 20 CO 0.12 0.25 0.00 0.54 -2.12 0.00 0.00 175.29 174.08 2zml n ARG 21 N 1.65 0.00 0.00 2.91 5.12 -1.26 -2.40 116.66 122.68 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 0.53 0.00 -1.16 0.00 0.00 32.46 32.37 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 3.90 0.00 -4.75 0.55 8.00 -0.46 -4.86 116.55 118.93 2zml n ASP 22 Ca 0.00 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.87 2zml n ASP 22 Cb 0.00 -0.19 -0.02 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 3.61 0.04 2.24 0.00 -1.01 -4.44 121.76 119.83 2zml s ALA 23 Ca 0.23 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 2zml s ALA 23 Cb 0.13 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.76 2zml s ALA 23 CO 0.27 -0.74 0.55 -0.98 0.00 0.00 0.00 175.76 174.87 2zml s ARG 24 N -0.57 1.06 -0.24 0.00 1.70 -0.67 -4.65 118.95 115.57 2zml s ARG 24 Ca 0.58 -0.17 -0.10 0.00 -0.47 0.00 0.00 55.73 55.57 2zml s ARG 24 Cb -0.42 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2zml s ARG 24 CO 0.45 -0.38 0.15 0.42 -1.08 0.00 0.00 175.30 174.86 2zml s ILE 25 N -2.33 5.28 0.88 4.99 1.01 -1.26 -1.07 121.20 128.70 2zml s ILE 25 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 2zml s ILE 25 Cb -0.01 -3.47 0.12 0.00 0.01 0.00 0.00 42.46 39.12 2zml s ILE 25 CO -0.01 0.34 1.18 -0.94 0.00 0.00 0.00 174.94 175.51 2zml s SER 26 N 1.14 3.81 0.14 3.58 1.04 -0.66 -4.77 113.70 117.98 2zml s SER 26 Ca 0.07 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 2zml s SER 26 Cb -0.14 -1.23 -0.03 0.00 0.10 0.00 0.00 66.02 64.72 2zml s SER 26 CO 0.05 -2.34 1.79 0.28 0.98 0.00 0.00 173.24 174.00 2zml h SER 27 N -1.36 0.32 0.00 7.02 0.02 -1.95 -2.26 113.55 115.34 2zml h SER 27 Ca -0.47 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2zml h SER 27 Cb 1.32 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2zml h SER 27 CO 0.60 0.23 0.00 -0.46 -1.14 0.00 0.00 176.83 176.06 2zml n ASN 28 N -4.90 1.49 -1.35 3.07 0.23 -1.26 -4.86 115.26 107.69 2zml n ASN 28 Ca -0.01 -1.78 -0.13 0.00 -0.53 0.00 0.00 54.58 52.13 2zml n ASN 28 Cb 0.03 -0.44 -0.02 0.00 -2.08 0.00 0.00 39.78 37.26 2zml n ASN 28 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2zml n SER 29 N 0.23 -4.29 -4.70 0.53 2.88 -0.85 -4.96 113.62 102.46 2zml n SER 29 Ca 0.00 0.10 -0.32 0.00 -1.33 0.00 0.00 58.87 57.33 2zml n SER 29 Cb 0.30 -3.30 -0.08 0.00 -0.75 0.00 0.00 64.21 60.37 2zml n SER 29 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2zml s VAL 30 N -2.61 4.18 -0.51 2.46 -7.23 -1.26 -1.84 120.40 113.60 2zml s VAL 30 Ca 0.00 -0.72 -0.23 0.00 -1.81 0.00 0.00 61.98 59.21 2zml s VAL 30 Cb 0.00 -2.92 0.04 0.00 0.56 0.00 0.00 36.38 34.06 2zml s VAL 30 CO 0.00 0.27 0.85 -0.22 -0.31 0.00 0.00 175.10 175.69 2zml s LEU 31 N -1.88 4.26 -0.48 1.32 2.96 -0.46 -1.66 118.68 122.74 2zml s LEU 31 Ca 0.23 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 2zml s LEU 31 Cb -0.12 -2.84 0.05 0.00 0.50 0.00 0.00 46.19 43.79 2zml s LEU 31 CO 0.14 -1.08 0.57 -1.61 -1.32 0.00 0.00 176.35 173.05 2zml s GLU 32 N 3.57 3.11 0.08 1.98 2.02 -0.23 -0.73 118.70 128.49 2zml s GLU 32 Ca 0.28 -0.90 -0.18 0.00 0.02 0.00 0.00 54.97 54.19 2zml s GLU 32 Cb -0.13 -4.07 -0.10 0.00 0.10 0.00 0.00 34.13 29.93 2zml s GLU 32 CO 0.20 -1.12 1.47 -0.07 0.02 0.00 0.00 175.26 175.75 2zml h LEU 33 N 9.48 0.46 -9.55 1.80 3.38 -1.63 -1.79 115.31 117.46 2zml h LEU 33 Ca -0.27 -0.37 -0.60 0.00 0.09 0.00 0.00 57.88 56.73 2zml h LEU 33 Cb 1.10 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 2zml h LEU 33 CO 0.92 0.72 -0.64 0.42 0.09 0.00 0.00 178.44 179.95 2zml s THR 34 N -4.75 3.85 0.25 0.22 -4.23 -1.26 -3.13 115.64 106.59 2zml s THR 34 Ca -0.14 -1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 2zml s THR 34 Cb 0.07 -2.95 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 2zml s THR 34 CO 0.76 -0.12 1.44 1.17 -0.54 0.00 0.00 174.62 177.33 2zml n LYS 35 N -0.20 2.17 -3.63 3.99 4.81 -1.26 -4.75 118.16 119.30 2zml n LYS 35 Ca -0.09 0.77 -0.17 0.00 -0.87 0.00 0.00 58.31 57.95 2zml n LYS 35 Cb 0.55 -2.45 -0.15 0.00 0.02 0.00 0.00 35.03 33.00 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 -0.07 -0.27 -0.14 3.15 0.11 -1.26 -2.47 120.40 119.44 2zml s VAL 36 Ca 0.67 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.95 2zml s VAL 36 Cb -0.62 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2zml s VAL 36 CO 0.50 0.05 -0.16 0.68 -3.33 0.00 0.00 175.10 172.84 2zml s VAL 37 N 2.30 2.71 -1.45 2.04 -7.23 0.12 -4.65 120.40 114.24 2zml s VAL 37 Ca 0.04 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2zml s VAL 37 Cb -0.13 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.73 2zml s VAL 37 CO -0.07 0.52 1.09 0.59 -0.31 0.00 0.00 175.10 176.92 2zml n ASN 38 N 3.84 -5.67 0.00 4.85 4.13 -1.26 -1.16 115.26 119.98 2zml n ASN 38 Ca -0.19 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.42 2zml n ASN 38 Cb 0.52 -4.49 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 2zml n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2zml n GLY 39 N -1.86 0.45 3.08 7.41 0.00 -1.26 -5.01 105.19 108.00 2zml n GLY 39 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 1.55 0.34 1.61 1.01 -0.31 -5.12 120.40 117.44 2zml s VAL 40 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2zml s VAL 40 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 2zml s VAL 40 CO 0.00 0.45 1.09 -2.16 0.00 0.00 0.00 175.10 174.48 2zml s PRO 41 N 0.84 4.40 0.40 2.72 0.04 -1.26 0.14 135.00 142.28 2zml s PRO 41 Ca -0.10 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2zml s PRO 41 Cb -0.15 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2zml s PRO 41 CO 0.01 0.02 0.23 0.95 0.04 0.00 0.00 177.00 178.25 2zml s THR 42 N -1.37 2.53 0.27 1.26 -4.23 -1.03 -4.79 115.64 108.28 2zml s THR 42 Ca 0.51 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2zml s THR 42 Cb -0.28 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.62 2zml s THR 42 CO 0.36 -0.03 0.38 -2.67 -0.54 0.00 0.00 174.62 172.11 2zml n TRP 43 N -1.31 -3.43 -3.25 3.99 4.27 -1.26 -4.48 117.44 111.97 2zml n TRP 43 Ca -0.00 -0.56 -0.22 0.00 -3.89 0.00 0.00 57.50 52.83 2zml n TRP 43 Cb 0.63 -0.28 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 -3.05 -3.97 -4.43 -0.67 5.15 0.20 -4.90 115.26 103.58 2zml n ASN 44 Ca 0.06 -0.33 -0.31 0.00 -0.60 0.00 0.00 54.58 53.39 2zml n ASN 44 Cb 0.20 -3.28 -0.13 0.00 -0.53 0.00 0.00 39.78 36.04 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 -2.66 3.69 -0.11 1.20 0.15 -1.26 -4.99 113.70 109.71 2zml s SER 45 Ca 0.36 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 2zml s SER 45 Cb -0.19 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 2zml s SER 45 CO 0.44 0.29 0.27 -0.89 1.20 0.00 0.00 173.24 174.54 2zml s THR 46 N -0.82 -0.03 -0.00 6.45 2.01 -1.26 -0.96 115.64 121.03 2zml s THR 46 Ca 0.13 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 2zml s THR 46 Cb -0.10 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.04 2zml s THR 46 CO 0.03 0.04 0.36 -0.83 -0.69 0.00 0.00 174.62 173.53 2zml s GLY 47 N 0.95 -0.21 0.10 4.40 0.00 -0.95 -1.35 107.32 110.27 2zml s GLY 47 Ca -0.07 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2zml s GLY 47 CO -0.06 0.14 -0.07 0.50 0.00 0.00 0.00 173.10 173.61 2zml s ARG 48 N -1.67 0.84 -0.09 2.90 0.52 -1.11 -1.40 118.95 118.93 2zml s ARG 48 Ca -0.11 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 53.78 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 0.03 0.00 0.13 0.00 0.02 0.00 0.00 175.30 175.48 2zml s ALA 49 N -3.35 0.03 0.09 2.13 0.00 -0.13 -1.83 121.76 118.69 2zml s ALA 49 Ca 0.10 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.44 2zml s ALA 49 Cb 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2zml s ALA 49 CO -0.04 -0.69 -0.15 -0.51 0.00 0.00 0.00 175.76 174.38 2zml s LEU 50 N 2.24 2.81 -0.01 0.00 2.01 -0.30 -0.88 118.68 124.54 2zml s LEU 50 Ca 0.04 -0.46 -0.30 0.00 0.01 0.00 0.00 54.13 53.42 2zml s LEU 50 Cb -0.13 -1.64 -0.05 0.00 0.01 0.00 0.00 46.19 44.38 2zml s LEU 50 CO -0.06 0.20 1.29 -0.47 1.01 0.00 0.00 176.35 178.32 2zml s TYR 51 N -1.11 3.08 0.31 0.29 5.04 -0.51 -0.25 117.35 124.20 2zml s TYR 51 Ca 0.18 1.04 0.07 0.00 -2.44 0.00 0.00 57.07 55.93 2zml s TYR 51 Cb -0.11 -3.54 0.85 0.00 0.35 0.00 0.00 41.96 39.51 2zml s TYR 51 CO 0.10 -1.84 1.69 0.00 -1.34 0.00 0.00 175.55 174.16 2zml h ALA 52 N 7.52 1.62 -2.56 3.97 0.00 -1.08 -3.43 119.26 125.30 2zml h ALA 52 Ca -0.37 0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 2zml h ALA 52 Cb 1.18 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2zml h ALA 52 CO 0.88 -0.39 -0.18 0.15 0.00 0.00 0.00 179.25 179.71 2zml s LYS 53 N -5.81 3.71 0.42 0.00 1.02 -1.26 -4.99 119.74 112.82 2zml s LYS 53 Ca -0.11 0.11 -0.17 0.00 0.02 0.00 0.00 55.97 55.82 2zml s LYS 53 Cb 0.27 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 2zml s LYS 53 CO 0.78 0.34 0.88 -1.25 -0.92 0.00 0.00 175.35 175.18 2zml s PRO 54 N -2.94 4.05 0.06 -1.68 0.04 -1.26 -4.78 135.00 128.49 2zml s PRO 54 Ca 0.45 0.88 0.07 0.00 0.04 0.00 0.00 61.00 62.44 2zml s PRO 54 Cb -0.11 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2zml s PRO 54 CO 0.24 -0.03 -0.16 0.14 0.04 0.00 0.00 177.00 177.22 2zml s VAL 55 N -2.25 2.92 -0.38 -0.36 -7.23 0.85 -4.89 120.40 109.05 2zml s VAL 55 Ca 0.58 -1.22 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2zml s VAL 55 Cb -0.10 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.58 2zml s VAL 55 CO 0.20 0.28 0.40 -1.58 -0.31 0.00 0.00 175.10 174.09 2zml s GLN 56 N -1.64 3.32 0.20 4.82 0.74 -1.26 -0.26 119.66 125.58 2zml s GLN 56 Ca 0.16 -0.60 0.23 0.00 0.05 0.00 0.00 55.36 55.20 2zml s GLN 56 Cb -0.11 -3.89 0.12 0.00 1.10 0.00 0.00 33.01 30.24 2zml s GLN 56 CO 0.07 -0.70 1.16 -0.39 -0.55 0.00 0.00 175.29 174.89 2zml h VAL 57 N 5.64 0.00 -2.44 1.34 -1.51 -1.30 -3.45 116.25 114.53 2zml h VAL 57 Ca -0.28 -0.85 -0.03 0.00 -1.23 0.00 0.00 66.70 64.31 2zml h VAL 57 Cb 1.13 1.40 -0.16 0.00 -2.13 0.00 0.00 31.29 31.53 2zml h VAL 57 CO 0.75 0.00 0.21 -1.66 -1.23 0.00 0.00 177.57 175.64 2zml s TRP 58 N -3.29 -0.59 -0.19 5.19 1.48 -1.22 0.93 118.94 121.24 2zml s TRP 58 Ca 0.02 0.74 -0.01 0.00 -1.06 0.00 0.00 56.10 55.79 2zml s TRP 58 Cb 0.10 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 2zml s TRP 58 CO 0.76 -0.71 -0.15 0.34 -4.06 0.00 0.00 176.95 173.14 2zml s ASP 59 N -1.91 3.55 0.48 -2.66 2.15 -0.63 -4.52 116.67 113.14 2zml s ASP 59 Ca -0.05 -0.55 0.23 0.00 0.43 0.00 0.00 52.55 52.61 2zml s ASP 59 Cb -0.00 -1.57 1.25 0.00 -0.30 0.00 0.00 42.92 42.29 2zml s ASP 59 CO -0.01 0.00 2.01 0.77 -0.17 0.00 0.00 175.17 177.77 2zml h SER 60 N 7.93 0.00 0.17 -0.34 4.64 -1.92 0.70 113.55 124.72 2zml h SER 60 Ca -0.43 0.00 -0.01 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 0.17 -0.08 0.74 -0.87 0.00 0.00 176.83 177.41 2zml h THR 61 N 0.00 0.96 0.00 2.95 2.02 -1.97 -3.32 112.91 113.55 2zml h THR 61 Ca -0.00 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2zml h THR 61 Cb 0.40 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2zml h THR 61 CO 0.02 0.16 -1.28 0.35 0.37 0.00 0.00 175.52 175.14 2zml n THR 62 N -5.03 0.47 -0.26 3.16 -2.24 -1.18 -4.96 114.28 104.24 2zml n THR 62 Ca -0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2zml n THR 62 Cb 0.23 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.21 2.05 3.76 3.38 0.00 0.24 -5.01 105.19 110.82 2zml n GLY 63 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 5.45 0.05 1.61 0.02 -1.22 -4.77 114.94 112.60 2zml s ASN 64 Ca 0.00 2.49 0.09 0.00 -1.02 0.00 0.00 52.86 54.41 2zml s ASN 64 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 2zml s ASN 64 CO 0.00 -1.42 -0.23 -0.69 0.02 0.00 0.00 177.10 174.77 2zml s VAL 65 N -1.49 2.40 0.53 1.60 1.01 -1.26 -1.60 120.40 121.59 2zml s VAL 65 Ca 0.72 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2zml s VAL 65 Cb -0.33 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 2zml s VAL 65 CO 0.38 0.33 0.97 0.00 0.00 0.00 0.00 175.10 176.78 2zml s ALA 66 N -0.87 3.11 0.05 5.51 0.00 0.26 -4.70 121.76 125.11 2zml s ALA 66 Ca 0.13 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2zml s ALA 66 Cb -0.10 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2zml s ALA 66 CO 0.04 -0.33 -0.10 -1.12 0.00 0.00 0.00 175.76 174.25 2zml s SER 67 N -3.36 4.39 0.10 0.00 0.01 -0.76 -4.31 113.70 109.77 2zml s SER 67 Ca 0.57 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.43 2zml s SER 67 Cb -0.10 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.24 2zml s SER 67 CO 0.37 0.24 0.26 0.72 0.41 0.00 0.00 173.24 175.24 2zml s PHE 68 N -1.07 0.03 -0.01 2.43 -0.12 -0.97 -0.77 117.98 117.51 2zml s PHE 68 Ca 0.18 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.64 2zml s PHE 68 Cb -0.11 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2zml s PHE 68 CO 0.10 -0.60 -0.00 -2.00 -0.05 0.00 0.00 175.22 172.66 2zml s GLU 69 N -3.84 0.12 -0.00 1.99 2.12 -0.26 -0.43 118.70 118.39 2zml s GLU 69 Ca 0.04 0.02 -0.00 0.00 0.36 0.00 0.00 54.97 55.39 2zml s GLU 69 Cb 0.04 -0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.23 2zml s GLU 69 CO -0.11 -0.04 0.01 -0.08 -0.54 0.00 0.00 175.26 174.50 2zml s THR 70 N 0.36 0.01 0.01 -1.70 -1.32 0.30 -1.82 115.64 111.47 2zml s THR 70 Ca -0.03 -0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 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 -0.03 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.13 2zml s ARG 71 N -0.08 0.82 0.17 7.08 0.52 -0.66 -0.55 118.95 126.26 2zml s ARG 71 Ca -0.01 -0.51 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 2zml s ARG 71 Cb -0.01 -0.78 0.06 0.00 0.52 0.00 0.00 34.95 34.74 2zml s ARG 71 CO -0.00 0.21 0.64 -0.59 0.02 0.00 0.00 175.30 175.57 2zml s PHE 72 N -0.52 -0.47 -0.02 -0.53 -0.71 -0.89 -0.42 117.98 114.42 2zml s PHE 72 Ca 0.02 0.22 0.07 0.00 -1.04 0.00 0.00 56.93 56.20 2zml s PHE 72 Cb -0.06 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2zml s PHE 72 CO 0.00 -0.90 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.63 2zml s SER 73 N -2.77 2.70 0.18 1.98 0.01 -0.94 -1.12 113.70 113.74 2zml s SER 73 Ca 0.03 -0.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2zml s SER 73 Cb -0.02 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2zml s SER 73 CO -0.09 0.28 0.07 0.72 0.41 0.00 0.00 173.24 174.62 2zml s PHE 74 N -0.55 1.11 -0.06 2.43 -0.12 -0.79 0.13 117.98 120.13 2zml s PHE 74 Ca 0.09 -1.21 -0.03 0.00 -0.05 0.00 0.00 56.93 55.73 2zml s PHE 74 Cb -0.09 -0.61 0.03 0.00 -0.63 0.00 0.00 43.02 41.73 2zml s PHE 74 CO -0.01 -0.45 0.14 0.45 -0.05 0.00 0.00 175.22 175.30 2zml s SER 75 N -3.14 -0.10 -0.22 1.98 0.15 0.39 -1.42 113.70 111.34 2zml s SER 75 Ca 0.30 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.24 2zml s SER 75 Cb 0.07 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.61 2zml s SER 75 CO 0.06 -0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 173.62 2zml s ILE 76 N 1.00 1.92 -0.27 6.45 1.01 -1.26 -1.74 121.20 128.31 2zml s ILE 76 Ca -0.08 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.25 2zml s ILE 76 Cb -0.10 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 2zml s ILE 76 CO -0.05 0.14 0.06 -0.60 0.00 0.00 0.00 174.94 174.50 2zml s ARG 77 N 1.26 3.31 -0.76 2.79 3.52 -1.26 -0.86 118.95 126.95 2zml s ARG 77 Ca -0.03 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 2zml s ARG 77 Cb -0.17 -3.32 0.20 0.00 -1.56 0.00 0.00 34.95 30.10 2zml s ARG 77 CO -0.08 -0.34 0.66 -0.65 -0.81 0.00 0.00 175.30 174.09 2zml s GLN 78 N 1.54 3.27 0.25 5.12 -0.21 -1.26 -2.74 119.66 125.62 2zml s GLN 78 Ca 0.04 -2.47 -0.05 0.00 0.02 0.00 0.00 55.36 52.90 2zml s GLN 78 Cb -0.16 -4.21 0.27 0.00 1.00 0.00 0.00 33.01 29.92 2zml s GLN 78 CO 0.02 -1.25 1.84 -1.35 -2.12 0.00 0.00 175.29 172.42 2zml h PRO 79 N 7.56 1.10 -4.52 2.91 0.11 -1.97 -3.40 132.00 133.79 2zml h PRO 79 Ca 0.06 -0.17 -0.70 0.00 0.11 0.00 0.00 66.00 65.30 2zml h PRO 79 Cb 1.01 -0.19 -0.32 0.00 0.11 0.00 0.00 31.00 31.61 2zml h PRO 79 CO 0.75 0.87 -0.55 -0.06 -0.21 0.00 0.00 178.00 178.80 2zml s PHE 80 N -5.58 3.44 0.11 0.65 0.08 -1.26 -4.99 117.98 110.42 2zml s PHE 80 Ca -0.12 -1.99 -0.25 0.00 0.12 0.00 0.00 56.93 54.69 2zml s PHE 80 Cb 0.16 -2.92 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 2zml s PHE 80 CO 0.82 -0.90 1.67 -1.35 -0.10 0.00 0.00 175.22 175.37 2zml h PRO 81 N 8.17 -0.29 -6.01 0.24 0.11 -1.93 -3.40 132.00 128.88 2zml h PRO 81 Ca -0.18 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.29 2zml h PRO 81 Cb 1.06 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 2zml h PRO 81 CO 0.69 -0.19 -0.58 1.03 -0.21 0.00 0.00 178.00 178.74 2zml s ARG 82 N -6.13 3.05 0.13 1.05 3.00 -1.26 -3.42 118.95 115.37 2zml s ARG 82 Ca -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 55.73 55.06 2zml s ARG 82 Cb 0.08 -2.85 -0.12 0.00 0.00 0.00 0.00 34.95 32.06 2zml s ARG 82 CO 0.66 0.64 1.29 -1.00 0.00 0.00 0.00 175.30 176.89 2zml h PRO 83 N 4.05 0.30 -1.18 3.54 0.13 -1.87 -3.47 132.00 133.50 2zml h PRO 83 Ca -0.49 -0.37 0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2zml h PRO 83 Cb 1.18 0.11 -0.32 0.00 0.13 0.00 0.00 31.00 32.11 2zml h PRO 83 CO 0.62 1.08 0.67 -3.38 -0.23 0.00 0.00 178.00 176.77 2zml s HIS 84 N -3.08 -0.19 0.65 1.56 -3.43 -1.22 -5.12 115.29 104.46 2zml s HIS 84 Ca -0.04 0.38 -0.15 0.00 -0.80 0.00 0.00 55.06 54.45 2zml s HIS 84 Cb 0.09 0.15 -0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2zml s HIS 84 CO 0.86 -0.09 1.10 -2.14 -2.00 0.00 0.00 174.74 172.47 2zml s PRO 85 N 1.01 2.87 0.01 -0.38 0.02 -1.26 -3.99 135.00 133.27 2zml s PRO 85 Ca -0.07 1.35 -0.28 0.00 0.02 0.00 0.00 61.00 62.02 2zml s PRO 85 Cb -0.03 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.60 2zml s PRO 85 CO -0.11 -1.19 0.64 0.00 -0.33 0.00 0.00 177.00 176.00 2zml s ALA 86 N -2.38 -1.66 -0.01 -1.55 0.00 -1.26 -4.14 121.76 110.75 2zml s ALA 86 Ca 0.66 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.68 2zml s ALA 86 Cb -0.20 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2zml s ALA 86 CO 0.41 -0.47 0.02 -0.25 0.00 0.00 0.00 175.76 175.47 2zml n ASP 87 N 0.58 4.53 0.00 0.00 9.92 0.28 -3.43 116.55 128.43 2zml n ASP 87 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 2zml n ASP 87 Cb 0.59 0.70 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 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 2.74 1.11 3.22 0.44 0.00 -1.16 -1.71 105.19 109.84 2zml n GLY 88 Ca -0.02 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 2.41 0.06 0.99 0.05 -1.04 -2.49 118.68 118.67 2zml s LEU 89 Ca 0.00 -1.06 -0.08 0.00 0.05 0.00 0.00 54.13 53.05 2zml s LEU 89 Cb 0.00 -0.16 -0.00 0.00 -2.05 0.00 0.00 46.19 43.97 2zml s LEU 89 CO 0.00 -0.45 0.16 0.68 -0.55 0.00 0.00 176.35 176.19 2zml s VAL 90 N -3.53 0.13 -0.16 1.48 -7.23 -0.03 -0.51 120.40 110.55 2zml s VAL 90 Ca 0.17 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.17 2zml s VAL 90 Cb 0.05 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 2zml s VAL 90 CO -0.01 -0.61 0.07 0.12 -0.31 0.00 0.00 175.10 174.37 2zml s PHE 91 N -3.15 3.30 0.08 2.82 5.36 -0.25 -1.97 117.98 124.16 2zml s PHE 91 Ca -0.00 0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 56.08 2zml s PHE 91 Cb 0.02 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2zml s PHE 91 CO -0.07 0.29 0.09 -0.59 -1.46 0.00 0.00 175.22 173.49 2zml s PHE 92 N -0.03 0.36 -0.07 10.12 -0.71 0.57 -0.95 117.98 127.27 2zml s PHE 92 Ca 0.06 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.15 2zml s PHE 92 Cb -0.12 -0.22 0.01 0.00 -1.21 0.00 0.00 43.02 41.48 2zml s PHE 92 CO 0.01 -0.48 -0.15 0.42 -1.34 0.00 0.00 175.22 173.67 2zml s ILE 93 N -3.90 1.37 0.28 -4.49 1.01 0.07 -1.55 121.20 113.98 2zml s ILE 93 Ca 0.07 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2zml s ILE 93 Cb 0.06 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2zml s ILE 93 CO -0.09 0.41 0.52 0.00 0.00 0.00 0.00 174.94 175.77 2zml s ALA 94 N 0.53 -0.20 0.73 9.38 0.00 -0.93 -1.61 121.76 129.66 2zml s ALA 94 Ca -0.15 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2zml s ALA 94 Cb -0.16 1.03 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2zml s ALA 94 CO 0.05 -0.87 1.24 -2.14 0.00 0.00 0.00 175.76 174.04 2zml s PRO 95 N -3.72 2.08 0.58 0.00 0.02 -1.26 -0.88 135.00 131.82 2zml s PRO 95 Ca 0.22 1.89 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 2zml s PRO 95 Cb -0.01 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2zml s PRO 95 CO 0.11 -1.91 1.11 -1.25 -0.33 0.00 0.00 177.00 174.73 2zml s PRO 96 N -3.79 3.19 -0.81 5.54 0.04 -1.26 -4.01 135.00 133.91 2zml s PRO 96 Ca 0.77 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 2zml s PRO 96 Cb -0.32 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2zml s PRO 96 CO 0.45 -0.95 0.70 0.09 0.04 0.00 0.00 177.00 177.33 2zml n ASN 97 N -1.71 -4.61 -4.96 6.66 5.03 -1.26 -5.04 115.26 109.36 2zml n ASN 97 Ca 0.11 -0.32 -0.22 0.00 0.87 0.00 0.00 54.58 55.02 2zml n ASN 97 Cb 0.52 -3.19 0.00 0.00 -1.02 0.00 0.00 39.78 36.09 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 -3.19 4.10 0.34 3.41 -4.23 -1.26 -5.11 115.64 109.70 2zml s THR 98 Ca 0.35 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2zml s THR 98 Cb -0.15 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2zml s THR 98 CO 0.43 -0.29 0.27 -1.10 -0.54 0.00 0.00 174.62 173.39 2zml s GLN 99 N -4.41 2.66 0.30 3.99 -1.52 -1.26 -5.07 119.66 114.35 2zml s GLN 99 Ca 0.47 -1.34 -0.29 0.00 -1.95 0.00 0.00 55.36 52.24 2zml s GLN 99 Cb -0.10 -2.42 -0.11 0.00 -0.22 0.00 0.00 33.01 30.16 2zml s GLN 99 CO 0.35 0.09 1.52 0.99 -0.25 0.00 0.00 175.29 178.00 2zml s THR 100 N -2.33 2.24 0.00 -0.19 2.01 -1.26 -4.95 115.64 111.17 2zml s THR 100 Ca 0.40 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2zml s THR 100 Cb -0.05 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2zml s THR 100 CO 0.26 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2zml n GLY 101 N 1.74 0.74 3.76 4.40 0.00 0.10 -4.98 105.19 110.96 2zml n GLY 101 Ca 0.06 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 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 1.59 3.20 0.00 1.61 2.56 0.11 -4.56 118.70 123.21 2zml s GLU 102 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 54.97 56.70 2zml s GLU 102 Cb 0.00 -2.00 0.00 0.00 2.00 0.00 0.00 34.13 34.13 2zml s GLU 102 CO 0.00 -1.00 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 2zml n GLY 103 N 0.35 1.17 7.00 -1.50 0.00 -1.26 -0.29 105.19 110.66 2zml n GLY 103 Ca 0.12 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 2.14 0.00 -0.02 0.00 -1.26 -1.58 105.19 109.47 2zml n GLY 104 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 0.71 -0.02 0.00 -1.26 -1.02 105.19 103.36 2zml n GLY 105 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.23 0.05 -0.35 1.61 4.01 -0.61 -4.95 117.16 115.69 2zml n TYR 106 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 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 0.72 0.00 -0.49 -0.72 3.72 -0.19 -1.67 117.46 118.83 2zml n PHE 107 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2zml n PHE 107 Cb 0.46 -1.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 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 -1.12 0.74 0.00 1.37 0.00 0.60 -3.36 105.19 103.43 2zml n GLY 108 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.49 0.00 -4.48 -0.61 -5.35 -0.67 0.01 119.36 105.77 2zml n ILE 109 Ca 0.00 -0.26 -0.34 0.00 -0.27 0.00 0.00 62.75 61.88 2zml n ILE 109 Cb 0.00 0.72 -0.12 0.00 -1.74 0.00 0.00 39.64 38.50 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 -1.96 2.98 -0.36 4.28 5.04 -1.22 -4.74 117.35 121.37 2zml s TYR 110 Ca 0.00 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 2zml s TYR 110 Cb 0.04 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.55 2zml s TYR 110 CO 0.26 -0.04 0.14 1.21 -1.34 0.00 0.00 175.55 175.79 2zml s ASN 111 N 0.27 3.99 0.49 4.32 2.47 -1.26 -0.71 114.94 124.52 2zml s ASN 111 Ca -0.04 -2.07 0.27 0.00 0.42 0.00 0.00 52.86 51.44 2zml s ASN 111 Cb -0.14 -1.03 1.35 0.00 -1.45 0.00 0.00 41.25 39.97 2zml s ASN 111 CO 0.03 -0.36 1.85 -0.65 -3.72 0.00 0.00 177.10 174.26 2zml h PRO 112 N 7.53 0.15 0.00 0.43 0.11 -1.98 0.11 132.00 138.34 2zml h PRO 112 Ca -0.08 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 2zml h PRO 112 Cb 0.98 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2zml h PRO 112 CO 0.48 0.10 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.04 2zml h LEU 113 N 0.15 0.00 -5.34 2.35 4.07 -2.05 -3.36 115.31 111.14 2zml h LEU 113 Ca 0.48 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 58.12 2zml h LEU 113 Cb 1.64 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 43.15 2zml h LEU 113 CO -0.09 0.26 -0.70 -0.24 -1.08 0.00 0.00 178.44 176.60 2zml n SER 114 N -3.34 -1.61 -4.68 -0.43 2.88 -0.54 -5.13 113.62 100.77 2zml n SER 114 Ca 0.01 -3.27 -0.45 0.00 -1.33 0.00 0.00 58.87 53.83 2zml n SER 114 Cb 0.49 1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.97 2zml n SER 114 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2zml n PRO 115 N 1.01 2.14 -4.66 -1.46 -0.02 0.26 -4.74 135.00 127.52 2zml n PRO 115 Ca 0.13 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 2zml n PRO 115 Cb 0.64 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.09 2.18 0.70 6.00 -0.85 -1.26 -5.04 117.35 119.17 2zml s TYR 116 Ca 0.69 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 56.69 2zml s TYR 116 Cb -0.63 -1.26 0.02 0.00 0.38 0.00 0.00 41.96 40.47 2zml s TYR 116 CO 0.48 0.19 1.16 -1.25 -1.52 0.00 0.00 175.55 174.61 2zml s PRO 117 N -1.52 2.43 -0.08 -3.49 0.04 -1.26 -4.94 135.00 126.19 2zml s PRO 117 Ca 0.11 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2zml s PRO 117 Cb -0.10 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2zml s PRO 117 CO 0.03 -1.57 0.96 -0.59 0.04 0.00 0.00 177.00 175.87 2zml s PHE 118 N -2.15 -0.33 -0.07 0.56 -0.12 -1.26 -4.07 117.98 110.53 2zml s PHE 118 Ca 0.71 0.34 0.04 0.00 -0.05 0.00 0.00 56.93 57.97 2zml s PHE 118 Cb -0.25 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 2zml s PHE 118 CO 0.43 -0.44 -0.18 0.08 -0.05 0.00 0.00 175.22 175.06 2zml s VAL 119 N -2.36 1.59 0.01 -2.49 1.01 -0.63 -0.06 120.40 117.45 2zml s VAL 119 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 2zml s VAL 119 Cb -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2zml s VAL 119 CO -0.05 0.45 0.26 0.00 0.00 0.00 0.00 175.10 175.76 2zml s ALA 120 N 0.37 -0.61 -0.23 5.51 0.00 0.08 -0.75 121.76 126.12 2zml s ALA 120 Ca -0.13 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2zml s ALA 120 Cb -0.16 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 2zml s ALA 120 CO 0.05 -0.29 -0.03 0.08 0.00 0.00 0.00 175.76 175.57 2zml s VAL 121 N -1.71 3.36 0.10 0.00 1.01 -0.13 -0.24 120.40 122.79 2zml s VAL 121 Ca -0.11 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2zml s VAL 121 Cb -0.04 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2zml s VAL 121 CO 0.01 0.36 0.06 -1.83 0.00 0.00 0.00 175.10 173.70 2zml s GLU 122 N 1.46 2.74 -0.57 2.72 -1.05 0.13 -1.09 118.70 123.03 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 -2.63 0.15 0.00 -0.44 0.00 0.00 34.13 31.06 2zml s GLU 122 CO -0.03 0.54 0.36 -0.06 0.95 0.00 0.00 175.26 177.02 2zml s PHE 123 N -1.44 2.98 -0.16 4.83 0.08 0.33 -1.51 117.98 123.10 2zml s PHE 123 Ca 0.28 -3.05 -0.27 0.00 0.12 0.00 0.00 56.93 54.01 2zml s PHE 123 Cb -0.11 -2.47 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 2zml s PHE 123 CO 0.21 -0.67 0.90 0.34 -0.10 0.00 0.00 175.22 175.89 2zml s ASP 124 N -0.64 7.05 -0.00 1.36 -1.08 -0.63 -2.50 116.67 120.23 2zml s ASP 124 Ca 0.22 1.30 0.10 0.00 -0.52 0.00 0.00 52.55 53.64 2zml s ASP 124 Cb -0.15 -2.49 -0.12 0.00 -1.46 0.00 0.00 42.92 38.70 2zml s ASP 124 CO -0.08 -0.44 0.38 0.35 0.52 0.00 0.00 175.17 175.90 2zml n THR 125 N 4.73 0.00 -5.18 1.71 -2.24 -0.69 -1.74 114.28 110.87 2zml n THR 125 Ca 0.06 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 2zml n THR 125 Cb 0.48 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.14 2.47 -0.59 4.78 5.36 -1.21 -4.73 117.98 121.92 2zml s PHE 126 Ca 0.02 -0.51 -0.22 0.00 -0.96 0.00 0.00 56.93 55.27 2zml s PHE 126 Cb 0.07 -1.58 0.07 0.00 -0.34 0.00 0.00 43.02 41.24 2zml s PHE 126 CO 0.42 -0.07 0.85 0.50 -1.46 0.00 0.00 175.22 175.45 2zml s ARG 127 N -0.40 3.15 0.79 10.12 3.52 -1.26 -4.96 118.95 129.91 2zml s ARG 127 Ca 0.04 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.75 2zml s ARG 127 Cb -0.12 -4.17 0.10 0.00 -1.56 0.00 0.00 34.95 29.21 2zml s ARG 127 CO 0.02 -1.58 1.12 -0.80 -0.81 0.00 0.00 175.30 173.25 2zml s ASN 128 N 3.28 4.31 0.50 -2.12 -0.87 -1.26 -4.91 114.94 113.87 2zml s ASN 128 Ca 0.21 0.42 0.20 0.00 -1.57 0.00 0.00 52.86 52.11 2zml s ASN 128 Cb -0.18 -0.86 1.25 0.00 -0.02 0.00 0.00 41.25 41.44 2zml s ASN 128 CO 0.12 -1.96 2.03 0.71 -2.57 0.00 0.00 177.10 175.42 2zml h THR 129 N -0.95 0.85 -0.12 1.60 1.35 -2.00 -0.82 112.91 112.81 2zml h THR 129 Ca -0.44 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2zml h THR 129 Cb 1.30 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2zml h THR 129 CO 0.55 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.17 2zml n TRP 130 N -4.44 0.15 -3.96 4.73 2.14 -1.26 -4.95 117.44 109.84 2zml n TRP 130 Ca 0.07 -0.07 -0.26 0.00 2.07 0.00 0.00 57.50 59.31 2zml n TRP 130 Cb 0.42 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.88 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 -1.72 6.26 0.61 -0.67 1.01 -0.32 -4.88 116.67 116.96 2zml s ASP 131 Ca 0.34 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 2zml s ASP 131 Cb 0.19 -1.86 0.08 0.00 1.01 0.00 0.00 42.92 42.34 2zml s ASP 131 CO 0.29 0.04 0.52 -0.81 0.21 0.00 0.00 175.17 175.43 2zml n PRO 132 N -0.61 0.16 -1.64 8.23 -0.04 -1.26 -4.78 135.00 135.05 2zml n PRO 132 Ca -0.07 -1.34 -0.41 0.00 -0.04 0.00 0.00 63.50 61.63 2zml n PRO 132 Cb 0.54 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.64 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 -1.99 1.56 -4.24 0.54 7.27 -1.26 -4.85 117.38 114.42 2zml n GLN 133 Ca 0.08 0.56 -0.23 0.00 0.07 0.00 0.00 57.00 57.48 2zml n GLN 133 Cb 0.30 -2.15 -0.07 0.00 2.41 0.00 0.00 30.24 30.73 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 3.73 0.68 1.69 -5.25 -1.26 -4.31 121.20 115.25 2zml s ILE 134 Ca 0.62 -1.74 -0.11 0.00 -0.99 0.00 0.00 60.65 58.43 2zml s ILE 134 Cb -0.55 -2.99 -0.00 0.00 2.95 0.00 0.00 42.46 41.87 2zml s ILE 134 CO 0.57 -0.35 1.05 -2.84 -1.79 0.00 0.00 174.94 171.59 2zml s PRO 135 N -3.66 3.09 0.02 0.37 0.02 -1.25 -4.97 135.00 128.62 2zml s PRO 135 Ca 0.31 0.92 -0.20 0.00 0.02 0.00 0.00 61.00 62.05 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 0.44 -3.38 -0.33 0.00 0.00 177.00 172.96 2zml s HIS 136 N -3.06 -0.32 0.01 6.54 -3.43 -0.71 -2.33 115.29 111.98 2zml s HIS 136 Ca 0.57 0.37 -0.11 0.00 -0.80 0.00 0.00 55.06 55.09 2zml s HIS 136 Cb -0.13 0.24 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 2zml s HIS 136 CO 0.54 -0.55 0.35 0.42 -2.00 0.00 0.00 174.74 173.50 2zml s ILE 137 N -2.13 5.15 0.00 -5.38 1.01 0.12 -1.60 121.20 118.37 2zml s ILE 137 Ca -0.07 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 2zml s ILE 137 Cb -0.01 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2zml s ILE 137 CO 0.00 0.47 0.15 -0.83 0.00 0.00 0.00 174.94 174.74 2zml s GLY 138 N -1.36 0.03 -0.26 6.18 0.00 -0.57 -1.32 107.32 110.02 2zml s GLY 138 Ca 0.26 -0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 2zml s GLY 138 CO 0.14 -0.23 0.07 -0.42 0.00 0.00 0.00 173.10 172.66 2zml s ILE 139 N -1.36 4.22 -0.14 0.90 1.01 -0.90 -0.70 121.20 124.23 2zml s ILE 139 Ca -0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 2zml s ILE 139 Cb -0.07 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2zml s ILE 139 CO 0.02 0.27 -0.09 -1.81 0.00 0.00 0.00 174.94 173.33 2zml s ASP 140 N 1.59 4.36 -0.27 3.58 1.01 0.67 -0.81 116.67 126.80 2zml s ASP 140 Ca 0.06 -0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.11 2zml s ASP 140 Cb -0.16 -1.68 0.07 0.00 1.01 0.00 0.00 42.92 42.16 2zml s ASP 140 CO 0.03 0.17 -0.06 -0.69 0.21 0.00 0.00 175.17 174.83 2zml s VAL 141 N 0.33 2.00 0.00 -1.27 1.01 -1.26 -0.74 120.40 120.47 2zml s VAL 141 Ca -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2zml s VAL 141 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2zml s VAL 141 CO 0.04 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.56 2zml n ASN 142 N 4.47 -3.57 -3.67 3.32 3.02 0.91 -4.86 115.26 114.87 2zml n ASN 142 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2zml n ASN 142 Cb 0.42 -2.78 -0.04 0.00 -0.61 0.00 0.00 39.78 36.77 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 -1.71 -0.23 0.00 6.41 0.15 -1.26 -4.89 113.70 112.17 2zml s SER 143 Ca 0.00 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 56.53 2zml s SER 143 Cb 0.00 0.50 0.72 0.00 -1.71 0.00 0.00 66.02 65.53 2zml s SER 143 CO 0.00 -0.91 1.56 0.52 1.20 0.00 0.00 173.24 175.61 2zml n VAL 144 N -0.26 0.00 -3.08 4.45 0.31 -1.26 -4.60 118.33 113.90 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 0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 34.37 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 -2.05 5.04 0.46 2.52 1.01 -1.26 -5.00 121.20 121.92 2zml s ILE 145 Ca 0.33 -1.84 -0.21 0.00 0.00 0.00 0.00 60.65 58.93 2zml s ILE 145 Cb 0.20 -4.65 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 2zml s ILE 145 CO 0.35 -1.31 0.48 -1.20 0.00 0.00 0.00 174.94 173.26 2zml n SER 146 N 5.63 -1.16 0.09 3.58 7.64 -1.26 -4.82 113.62 123.32 2zml n SER 146 Ca 0.18 0.85 -0.20 0.00 1.01 0.00 0.00 58.87 60.71 2zml n SER 146 Cb 0.48 -1.10 -0.15 0.00 -1.01 0.00 0.00 64.21 62.43 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 0.61 1.17 -3.94 0.44 1.35 -1.36 -3.46 112.91 107.71 2zml h THR 147 Ca -0.41 -2.74 -0.29 0.00 -0.55 0.00 0.00 66.41 62.42 2zml h THR 147 Cb 1.40 2.84 -0.24 0.00 -1.73 0.00 0.00 68.15 70.43 2zml h THR 147 CO 0.50 0.84 -0.74 -0.75 -0.25 0.00 0.00 175.52 175.11 2zml s LYS 148 N -2.61 0.49 -0.02 4.72 2.47 -1.25 -5.02 119.74 118.51 2zml s LYS 148 Ca -0.10 -0.56 -0.04 0.00 -1.56 0.00 0.00 55.97 53.70 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 0.88 0.07 0.10 0.99 0.16 0.00 0.00 175.35 177.54 2zml s THR 149 N -0.96 0.04 -0.07 3.43 2.01 -1.26 -2.12 115.64 116.72 2zml s THR 149 Ca -0.06 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2zml s THR 149 Cb -0.07 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.22 2zml s THR 149 CO 0.00 -0.19 0.15 0.54 -0.69 0.00 0.00 174.62 174.44 2zml s VAL 150 N -0.60 -0.05 0.48 3.82 0.11 -0.43 -4.98 120.40 118.75 2zml s VAL 150 Ca -0.07 0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 58.96 2zml s VAL 150 Cb -0.04 -0.25 -0.09 0.00 -1.53 0.00 0.00 36.38 34.47 2zml s VAL 150 CO 0.00 0.07 1.01 -2.16 -3.33 0.00 0.00 175.10 170.70 2zml s PRO 151 N 1.15 3.87 0.07 1.54 0.04 -1.26 0.11 135.00 140.52 2zml s PRO 151 Ca -0.09 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.08 2zml s PRO 151 Cb -0.11 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.33 2zml s PRO 151 CO -0.06 -0.36 0.30 -0.59 0.04 0.00 0.00 177.00 176.33 2zml s PHE 152 N -2.12 -0.06 -0.25 0.56 -0.12 -0.99 -4.86 117.98 110.14 2zml s PHE 152 Ca 0.65 -0.20 -0.08 0.00 -0.05 0.00 0.00 56.93 57.25 2zml s PHE 152 Cb -0.14 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2zml s PHE 152 CO 0.21 -0.56 0.10 0.99 -0.05 0.00 0.00 175.22 175.91 2zml s THR 153 N -3.19 4.61 0.51 -4.49 2.01 -1.26 -3.97 115.64 109.86 2zml s THR 153 Ca -0.00 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 2zml s THR 153 Cb 0.01 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2zml s THR 153 CO -0.07 0.32 1.14 -0.22 -0.69 0.00 0.00 174.62 175.10 2zml s LEU 154 N 1.58 3.85 -0.78 4.42 2.96 -1.26 -4.98 118.68 124.47 2zml s LEU 154 Ca 0.06 2.23 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 2zml s LEU 154 Cb -0.15 -4.46 0.20 0.00 0.50 0.00 0.00 46.19 42.29 2zml s LEU 154 CO 0.05 -1.11 0.68 -0.62 -1.32 0.00 0.00 176.35 174.03 2zml s ASP 155 N -1.61 6.33 -0.42 3.68 2.15 -1.26 -5.02 116.67 120.51 2zml s ASP 155 Ca 0.69 -2.77 -0.43 0.00 0.43 0.00 0.00 52.55 50.48 2zml s ASP 155 Cb -0.26 -2.11 -0.17 0.00 -0.30 0.00 0.00 42.92 40.08 2zml s ASP 155 CO 0.30 -0.50 1.89 -3.20 -0.17 0.00 0.00 175.17 173.48 2zml n ASN 156 N 3.79 1.51 0.00 -0.34 2.85 -1.26 0.80 115.26 122.61 2zml n ASN 156 Ca 0.12 0.89 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 2zml n ASN 156 Cb 0.44 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.45 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 5.48 0.61 3.95 8.20 0.00 -0.04 -4.92 105.19 118.46 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 -0.05 -0.02 0.00 0.24 -4.85 107.32 102.41 2zml s GLY 158 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 2zml s GLY 158 CO 0.00 -0.64 0.27 -0.42 0.00 0.00 0.00 173.10 172.31 2zml s ILE 159 N -3.67 5.28 -0.05 0.90 1.01 -1.26 -4.25 121.20 119.15 2zml s ILE 159 Ca 0.72 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.87 2zml s ILE 159 Cb -0.04 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2zml s ILE 159 CO 0.50 0.56 -0.20 0.00 0.00 0.00 0.00 174.94 175.81 2zml s ALA 160 N -1.10 1.75 -0.15 9.38 0.00 -0.50 -4.21 121.76 126.92 2zml s ALA 160 Ca 0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2zml s ALA 160 Cb -0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2zml s ALA 160 CO 0.10 0.32 -0.02 -0.80 0.00 0.00 0.00 175.76 175.36 2zml s ASN 161 N -0.02 4.98 -0.03 0.00 0.01 0.84 -1.88 114.94 118.84 2zml s ASN 161 Ca -0.04 -0.07 0.06 0.00 -0.71 0.00 0.00 52.86 52.10 2zml s ASN 161 Cb -0.12 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 2zml s ASN 161 CO 0.03 0.19 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.92 2zml s VAL 162 N 0.24 1.64 -0.10 1.60 1.01 -0.28 -0.51 120.40 124.00 2zml s VAL 162 Ca -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2zml s VAL 162 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2zml s VAL 162 CO 0.02 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 2zml s VAL 163 N -0.28 1.16 -0.11 2.92 1.01 -0.72 -2.10 120.40 122.28 2zml s VAL 163 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2zml s VAL 163 Cb -0.10 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2zml s VAL 163 CO 0.01 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.66 2zml s ILE 164 N 1.35 1.82 -0.02 2.22 1.01 0.29 -0.52 121.20 127.36 2zml s ILE 164 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2zml s ILE 164 Cb -0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2zml s ILE 164 CO -0.05 0.51 -0.10 -0.75 0.00 0.00 0.00 174.94 174.55 2zml s LYS 165 N 0.62 0.92 -0.12 2.79 2.20 -0.42 -0.54 119.74 125.19 2zml s LYS 165 Ca -0.13 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 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 0.18 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.60 2zml s TYR 166 N -0.05 1.91 -0.42 4.03 5.04 0.43 -1.48 117.35 126.81 2zml s TYR 166 Ca 0.01 -0.97 -0.14 0.00 -2.44 0.00 0.00 57.07 53.53 2zml s TYR 166 Cb -0.06 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.86 2zml s TYR 166 CO 0.00 -0.54 0.31 0.34 -1.34 0.00 0.00 175.55 174.32 2zml s ASP 167 N 1.29 6.05 0.24 4.32 2.15 -0.57 -2.28 116.67 127.87 2zml s ASP 167 Ca -0.01 -1.02 -0.07 0.00 0.43 0.00 0.00 52.55 51.88 2zml s ASP 167 Cb -0.14 -2.14 0.22 0.00 -0.30 0.00 0.00 42.92 40.56 2zml s ASP 167 CO -0.06 -0.48 1.91 0.00 -0.17 0.00 0.00 175.17 176.37 2zml h ALA 168 N 8.62 1.17 -0.47 3.66 0.00 -1.87 0.99 119.26 131.36 2zml h ALA 168 Ca -0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2zml h ALA 168 Cb 1.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2zml h ALA 168 CO 0.75 0.57 0.04 0.66 0.00 0.00 0.00 179.25 181.27 2zml h SER 169 N 1.25 0.71 0.00 0.00 4.64 -1.93 -3.12 113.55 115.10 2zml h SER 169 Ca 0.34 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2zml h SER 169 Cb -0.14 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.76 2zml h SER 169 CO -0.07 0.75 -1.61 0.35 -0.87 0.00 0.00 176.83 175.38 2zml n THR 170 N -4.25 0.00 -1.81 2.95 -2.24 -1.11 -4.97 114.28 102.85 2zml n THR 170 Ca 0.03 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2zml n THR 170 Cb 0.27 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.97 -0.96 -3.30 -0.78 5.02 0.34 -4.94 118.16 111.57 2zml n LYS 171 Ca -0.01 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 56.69 2zml n LYS 171 Cb 0.46 -4.92 -0.06 0.00 -0.02 0.00 0.00 35.03 30.49 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 -2.56 5.18 -0.27 -0.18 1.01 -1.15 -1.29 121.20 121.94 2zml s ILE 172 Ca 0.00 0.98 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 2zml s ILE 172 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2zml s ILE 172 CO 0.00 0.32 0.02 -0.22 0.00 0.00 0.00 174.94 175.06 2zml s LEU 173 N 0.66 3.50 -0.06 2.97 2.96 0.57 -1.51 118.68 127.77 2zml s LEU 173 Ca 0.27 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2zml s LEU 173 Cb -0.15 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 2zml s LEU 173 CO 0.11 -0.14 -0.19 -1.38 -1.32 0.00 0.00 176.35 173.42 2zml s HIS 174 N 1.44 2.01 0.03 5.38 -3.43 -0.55 -1.30 115.29 118.87 2zml s HIS 174 Ca 0.02 -0.68 0.08 0.00 -0.80 0.00 0.00 55.06 53.69 2zml s HIS 174 Cb -0.17 -1.36 -0.03 0.00 -1.43 0.00 0.00 32.58 29.60 2zml s HIS 174 CO -0.00 -0.26 -0.25 0.14 -2.00 0.00 0.00 174.74 172.37 2zml s VAL 175 N 0.18 2.00 -0.04 -5.38 -7.23 -0.04 -1.31 120.40 108.59 2zml s VAL 175 Ca -0.09 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2zml s VAL 175 Cb -0.14 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2zml s VAL 175 CO 0.04 0.39 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.32 2zml s VAL 176 N -0.74 1.72 -0.12 1.32 1.01 0.32 -1.86 120.40 122.06 2zml s VAL 176 Ca 0.10 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2zml s VAL 176 Cb -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2zml s VAL 176 CO 0.01 0.49 -0.16 -0.22 0.00 0.00 0.00 175.10 175.21 2zml s LEU 177 N -0.26 1.80 -0.04 3.92 2.96 0.38 -1.76 118.68 125.68 2zml s LEU 177 Ca 0.02 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2zml s LEU 177 Cb -0.11 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.41 2zml s LEU 177 CO 0.01 0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.27 2zml s VAL 178 N 1.03 0.93 -0.60 1.68 1.01 0.33 -0.57 120.40 124.20 2zml s VAL 178 Ca -0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2zml s VAL 178 Cb -0.15 -0.84 0.16 0.00 0.00 0.00 0.00 36.38 35.55 2zml s VAL 178 CO -0.03 0.29 0.42 -0.36 0.00 0.00 0.00 175.10 175.42 2zml s PHE 179 N 0.33 3.44 0.49 5.22 0.08 -0.96 -0.11 117.98 126.47 2zml s PHE 179 Ca -0.06 -2.64 0.27 0.00 0.12 0.00 0.00 56.93 54.62 2zml s PHE 179 Cb -0.11 -3.23 1.35 0.00 -0.57 0.00 0.00 43.02 40.46 2zml s PHE 179 CO 0.01 -0.87 1.84 -1.00 -0.10 0.00 0.00 175.22 175.11 2zml h PRO 180 N 7.21 0.15 0.00 0.24 0.13 -1.85 0.15 132.00 138.02 2zml h PRO 180 Ca -0.03 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 2zml h PRO 180 Cb 0.97 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2zml h PRO 180 CO 0.72 0.10 -0.37 0.77 -0.23 0.00 0.00 178.00 178.99 2zml h SER 181 N 0.15 0.00 0.00 1.44 0.02 -1.94 -3.20 113.55 110.03 2zml h SER 181 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2zml h SER 181 Cb 1.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2zml h SER 181 CO -0.10 0.37 -1.38 0.18 -1.14 0.00 0.00 176.83 174.76 2zml n LEU 182 N -3.54 0.29 -0.34 5.07 4.77 -0.45 -4.99 117.00 117.81 2zml n LEU 182 Ca -0.00 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.74 2zml n LEU 182 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2zml n LEU 182 CO 0.37 0.07 -0.04 0.61 -1.33 0.00 0.00 177.39 177.07 2zml n GLY 183 N 1.49 0.71 3.82 -0.72 0.00 0.40 -5.01 105.19 105.88 2zml n GLY 183 Ca -0.01 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.06 4.66 -0.07 2.61 -4.23 -1.20 -4.95 115.64 110.40 2zml s THR 184 Ca 0.00 1.19 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 2zml s THR 184 Cb 0.00 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2zml s THR 184 CO 0.00 0.32 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.66 2zml s ILE 185 N -1.38 1.08 -0.02 2.99 1.01 -1.26 -2.25 121.20 121.36 2zml s ILE 185 Ca 0.38 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.65 2zml s ILE 185 Cb -0.17 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 2zml s ILE 185 CO 0.21 0.35 -0.20 -0.31 0.00 0.00 0.00 174.94 174.98 2zml s TYR 186 N 0.75 1.87 0.02 3.97 2.02 0.26 -4.99 117.35 121.26 2zml s TYR 186 Ca -0.13 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2zml s TYR 186 Cb -0.15 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2zml s TYR 186 CO 0.03 -0.07 -0.07 -0.08 -1.57 0.00 0.00 175.55 173.79 2zml s THR 187 N -0.37 0.52 -0.11 -0.71 -1.32 -1.26 -0.47 115.64 111.92 2zml s THR 187 Ca 0.05 -0.74 -0.19 0.00 -1.21 0.00 0.00 61.69 59.61 2zml s THR 187 Cb -0.09 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.42 2zml s THR 187 CO 0.00 -0.16 0.47 -0.51 -2.21 0.00 0.00 174.62 172.21 2zml s ILE 188 N -0.85 0.02 0.07 5.08 2.07 -0.77 -4.98 121.20 121.83 2zml s ILE 188 Ca -0.05 -0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 58.95 2zml s ILE 188 Cb -0.07 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.82 2zml s ILE 188 CO 0.00 -0.07 0.25 0.00 -1.91 0.00 0.00 174.94 173.20 2zml s ALA 189 N -0.44 -0.45 0.17 1.50 0.00 -1.26 -0.86 121.76 120.42 2zml s ALA 189 Ca -0.06 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 2zml s ALA 189 Cb -0.03 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.59 2zml s ALA 189 CO 0.03 -0.48 0.79 0.34 0.00 0.00 0.00 175.76 176.45 2zml s ASP 190 N -2.54 -0.31 -0.22 0.00 2.15 -0.42 -4.99 116.67 110.34 2zml s ASP 190 Ca 0.01 -0.33 -0.13 0.00 0.43 0.00 0.00 52.55 52.53 2zml s ASP 190 Cb 0.02 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2zml s ASP 190 CO -0.08 -1.02 0.27 -0.63 -0.17 0.00 0.00 175.17 173.54 2zml s ILE 191 N -3.57 5.28 -0.04 4.11 1.01 -1.26 -0.32 121.20 126.42 2zml s ILE 191 Ca 0.08 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.17 2zml s ILE 191 Cb -0.03 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2zml s ILE 191 CO -0.01 0.30 -0.03 -0.69 0.00 0.00 0.00 174.94 174.51 2zml s VAL 192 N 1.19 0.39 -0.72 2.92 1.01 -0.41 -4.98 120.40 119.81 2zml s VAL 192 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 2zml s VAL 192 Cb -0.14 -0.45 0.19 0.00 0.00 0.00 0.00 36.38 35.98 2zml s VAL 192 CO 0.06 0.20 0.65 -0.62 0.00 0.00 0.00 175.10 175.39 2zml s ASP 193 N 1.00 6.46 0.19 3.32 -1.08 -1.26 -4.72 116.67 120.59 2zml s ASP 193 Ca -0.10 -2.42 -0.12 0.00 -0.52 0.00 0.00 52.55 49.40 2zml s ASP 193 Cb -0.14 -2.18 0.22 0.00 -1.46 0.00 0.00 42.92 39.36 2zml s ASP 193 CO -0.01 -0.65 1.72 -0.07 0.52 0.00 0.00 175.17 176.68 2zml h LEU 194 N 8.07 0.02 -2.00 -1.34 3.38 -1.97 -1.19 115.31 120.29 2zml h LEU 194 Ca -0.03 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.22 2zml h LEU 194 Cb 1.05 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2zml h LEU 194 CO 0.83 0.03 0.48 0.50 0.09 0.00 0.00 178.44 180.38 2zml h LYS 195 N 0.26 0.00 0.00 1.13 3.64 -1.92 0.37 116.57 120.05 2zml h LYS 195 Ca 0.27 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 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 -0.34 0.00 -0.82 0.37 -2.27 0.00 0.00 179.45 176.39 2zml h GLN 196 N 0.00 0.00 0.00 1.90 5.75 -1.64 -3.40 115.11 117.72 2zml h GLN 196 Ca 0.30 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.64 2zml h GLN 196 Cb 1.26 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 2zml h GLN 196 CO -0.00 0.38 -1.72 1.33 -2.65 0.00 0.00 178.83 176.17 2zml n VAL 197 N -3.08 0.60 -4.40 2.39 0.24 -0.46 -5.05 118.33 108.57 2zml n VAL 197 Ca -0.02 -0.43 -0.24 0.00 -2.04 0.00 0.00 64.34 61.62 2zml n VAL 197 Cb 0.75 -0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 32.52 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 -4.61 2.84 0.77 1.34 1.43 -0.00 -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 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2zml s LEU 198 CO 0.46 0.03 1.13 -2.16 0.23 0.00 0.00 176.35 176.04 2zml s PRO 199 N -3.57 2.31 0.32 1.29 0.04 -1.26 -4.67 135.00 129.47 2zml s PRO 199 Ca 0.30 0.34 0.05 0.00 0.04 0.00 0.00 61.00 61.74 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 0.17 -1.40 1.86 0.93 0.04 0.00 0.00 177.00 178.61 2zml h GLU 200 N -0.92 0.81 -5.97 4.56 5.08 -1.96 -3.41 114.58 112.77 2zml h GLU 200 Ca -0.46 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.17 2zml h GLU 200 Cb 1.29 -0.18 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 2zml h GLU 200 CO 0.64 0.54 -0.74 -1.12 -1.00 0.00 0.00 179.01 177.32 2zml s SER 201 N -5.78 4.21 0.27 1.42 0.01 -1.26 -0.90 113.70 111.67 2zml s SER 201 Ca -0.11 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2zml s SER 201 Cb 0.22 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 2zml s SER 201 CO 0.80 0.29 0.25 0.68 0.41 0.00 0.00 173.24 175.67 2zml s VAL 202 N -0.41 0.00 0.06 3.43 -7.23 0.64 -4.19 120.40 112.70 2zml s VAL 202 Ca 0.05 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 2zml s VAL 202 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2zml s VAL 202 CO 0.02 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 174.87 2zml s ASN 203 N -3.24 4.13 0.09 4.85 0.02 -0.06 -0.11 114.94 120.62 2zml s ASN 203 Ca 0.38 -0.37 0.09 0.00 -1.02 0.00 0.00 52.86 51.94 2zml s ASN 203 Cb 0.04 -0.76 -0.03 0.00 0.02 0.00 0.00 41.25 40.52 2zml s ASN 203 CO 0.19 0.23 -0.25 0.68 0.02 0.00 0.00 177.10 177.97 2zml s VAL 204 N -1.04 2.04 -1.51 1.60 -7.23 -1.26 -2.20 120.40 110.81 2zml s VAL 204 Ca 0.17 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2zml s VAL 204 Cb -0.11 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2zml s VAL 204 CO 0.08 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 2zml n GLY 205 N 1.36 -0.80 3.38 2.32 0.00 -0.60 -1.42 105.19 109.43 2zml n GLY 205 Ca -0.18 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 1.84 -0.21 1.61 0.40 -0.06 -0.31 117.98 118.26 2zml s PHE 206 Ca 0.00 -0.53 -0.22 0.00 -0.60 0.00 0.00 56.93 55.58 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 0.42 0.60 0.45 0.70 0.00 0.00 175.22 177.40 2zml s SER 207 N -3.36 -0.62 0.17 1.36 0.15 -0.83 -0.95 113.70 109.60 2zml s SER 207 Ca 0.24 1.14 -0.08 0.00 0.70 0.00 0.00 55.95 57.95 2zml s SER 207 Cb -0.01 1.15 -0.01 0.00 -1.71 0.00 0.00 66.02 65.43 2zml s SER 207 CO 0.09 -0.25 0.27 0.00 1.20 0.00 0.00 173.24 174.55 2zml s ALA 208 N 0.14 0.10 -0.05 5.45 0.00 -0.50 -0.85 121.76 126.05 2zml s ALA 208 Ca -0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.74 2zml s ALA 208 Cb -0.04 0.89 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2zml s ALA 208 CO 0.02 -0.64 0.55 0.00 0.00 0.00 0.00 175.76 175.68 2zml s ALA 209 N -3.98 -1.42 0.56 0.00 0.00 -1.04 -2.23 121.76 113.65 2zml s ALA 209 Ca 0.19 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2zml s ALA 209 Cb 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.17 2zml s ALA 209 CO 0.01 -0.33 0.53 0.95 0.00 0.00 0.00 175.76 176.92 2zml s THR 210 N -1.13 1.74 0.11 0.00 -4.23 -0.14 0.10 115.64 112.09 2zml s THR 210 Ca -0.11 -1.35 -0.35 0.00 -1.18 0.00 0.00 61.69 58.70 2zml s THR 210 Cb -0.02 -2.09 -0.17 0.00 1.34 0.00 0.00 72.50 71.56 2zml s THR 210 CO 0.07 0.00 1.06 0.61 -0.54 0.00 0.00 174.62 175.83 2zml n GLY 211 N -1.93 -0.26 3.75 3.99 0.00 0.24 -4.08 105.19 106.89 2zml n GLY 211 Ca 0.03 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.07 7.58 0.31 1.61 2.15 -1.26 0.59 116.67 127.57 2zml s ASP 212 Ca 0.79 1.87 0.08 0.00 0.43 0.00 0.00 52.55 55.72 2zml s ASP 212 Cb -1.02 -2.59 0.80 0.00 -0.30 0.00 0.00 42.92 39.82 2zml s ASP 212 CO 0.53 0.11 1.77 -0.65 -0.17 0.00 0.00 175.17 176.76 2zml h PRO 213 N 4.53 0.67 -0.03 4.34 0.11 -1.93 -1.02 132.00 138.67 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 0.69 0.44 0.31 0.66 -0.21 0.00 0.00 178.00 179.89 2zml h SER 214 N 0.69 0.00 0.86 -2.05 4.64 -1.99 1.03 113.55 116.74 2zml h SER 214 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2zml h SER 214 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2zml h SER 214 CO -0.40 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.13 2zml n GLY 215 N -1.23 -1.42 4.07 -0.77 0.00 -0.39 -4.92 105.19 100.53 2zml n GLY 215 Ca -0.01 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.44 -4.10 -3.68 1.61 5.02 0.36 -4.96 118.16 110.97 2zml n LYS 216 Ca 0.08 0.47 -0.28 0.00 -2.02 0.00 0.00 58.31 56.55 2zml n LYS 216 Cb 0.32 -5.18 -0.16 0.00 -0.02 0.00 0.00 35.03 29.99 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 -6.75 0.51 0.51 1.97 -1.52 -1.26 -4.99 119.66 108.13 2zml s GLN 217 Ca 0.61 -0.61 0.33 0.00 -1.95 0.00 0.00 55.36 53.74 2zml s GLN 217 Cb -0.32 -1.82 1.38 0.00 -0.22 0.00 0.00 33.01 32.02 2zml s GLN 217 CO 0.88 -0.84 1.97 0.00 -0.25 0.00 0.00 175.29 177.06 2zml h ARG 218 N 8.25 0.00 0.00 2.91 3.08 -1.95 -2.31 114.38 124.36 2zml h ARG 218 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2zml h ARG 218 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2zml h ARG 218 CO 0.40 0.00 -0.00 0.09 -1.07 0.00 0.00 179.97 179.38 2zml n ASN 219 N -2.96 0.09 -4.03 7.04 4.13 -1.26 -4.34 115.26 113.93 2zml n ASN 219 Ca 0.01 0.50 -0.41 0.00 1.68 0.00 0.00 54.58 56.36 2zml n ASN 219 Cb 0.28 -0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 37.97 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 -1.53 3.99 -3.69 5.41 0.00 -0.87 -4.60 120.51 119.22 2zml n ALA 220 Ca 0.07 -3.61 -0.08 0.00 0.00 0.00 0.00 53.44 49.82 2zml n ALA 220 Cb 0.35 -3.57 -0.03 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 5.01 0.00 0.00 0.00 -1.32 -1.25 0.79 115.64 118.87 2zml s THR 221 Ca 0.54 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.63 2zml s THR 221 Cb 0.10 -2.11 0.11 0.00 -1.51 0.00 0.00 72.50 69.09 2zml s THR 221 CO 0.03 0.00 1.25 -1.83 -2.21 0.00 0.00 174.62 171.87 2zml s GLU 222 N -3.84 0.49 0.40 7.08 -1.05 -1.23 -4.23 118.70 116.33 2zml s GLU 222 Ca 0.14 -0.28 -0.03 0.00 -0.15 0.00 0.00 54.97 54.66 2zml s GLU 222 Cb -0.05 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 2zml s GLU 222 CO 0.08 -0.23 0.66 0.95 0.95 0.00 0.00 175.26 177.67 2zml s THR 223 N -2.43 5.01 -0.41 1.83 -4.23 -1.11 -4.83 115.64 109.47 2zml s THR 223 Ca 0.16 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2zml s THR 223 Cb 0.04 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 70.20 2zml s THR 223 CO -0.03 -0.67 0.36 1.41 -0.54 0.00 0.00 174.62 175.15 2zml n HIS 224 N -1.93 -0.87 -3.77 3.99 -0.00 -1.26 -4.05 115.22 107.32 2zml n HIS 224 Ca -0.02 -3.34 -0.36 0.00 -0.00 0.00 0.00 57.72 54.00 2zml n HIS 224 Cb 0.55 0.18 -0.07 0.00 -0.00 0.00 0.00 29.99 30.66 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 -0.11 6.33 -0.24 0.41 1.01 -0.71 -1.85 116.67 121.51 2zml s ASP 225 Ca 0.33 0.38 -0.07 0.00 0.71 0.00 0.00 52.55 53.91 2zml s ASP 225 Cb 0.06 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 2zml s ASP 225 CO -0.19 0.28 0.05 -0.63 0.21 0.00 0.00 175.17 174.90 2zml s ILE 226 N -0.30 4.25 -0.05 0.77 -1.09 0.09 -0.46 121.20 124.41 2zml s ILE 226 Ca 0.12 -0.20 0.13 0.00 -2.23 0.00 0.00 60.65 58.47 2zml s ILE 226 Cb -0.12 -2.97 -0.23 0.00 -1.58 0.00 0.00 42.46 37.56 2zml s ILE 226 CO 0.02 0.36 0.65 0.18 -1.23 0.00 0.00 174.94 174.92 2zml n LEU 227 N 4.74 0.85 -3.57 2.97 4.32 0.12 -1.35 117.00 125.07 2zml n LEU 227 Ca -0.16 0.40 -0.08 0.00 -0.02 0.00 0.00 56.01 56.15 2zml n LEU 227 Cb 0.51 0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 42.48 2zml n LEU 227 CO 0.31 0.39 0.61 -0.94 -1.22 0.00 0.00 177.39 176.53 2zml s SER 228 N -6.06 -0.36 -0.29 -1.43 1.04 -1.22 -4.32 113.70 101.05 2zml s SER 228 Ca -0.05 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.07 2zml s SER 228 Cb 0.08 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.82 2zml s SER 228 CO 0.83 -0.84 0.91 0.86 0.98 0.00 0.00 173.24 175.98 2zml s TRP 229 N -3.38 -0.67 0.07 5.02 -0.00 -0.15 -2.22 118.94 117.60 2zml s TRP 229 Ca 0.06 1.36 0.07 0.00 -0.00 0.00 0.00 56.10 57.59 2zml s TRP 229 Cb -0.02 0.41 -0.03 0.00 -0.00 0.00 0.00 33.47 33.83 2zml s TRP 229 CO -0.06 -0.33 -0.18 -1.54 -0.00 0.00 0.00 176.95 174.84 2zml s SER 230 N 1.35 2.13 0.01 5.86 1.04 0.43 -0.73 113.70 123.79 2zml s SER 230 Ca -0.09 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 2zml s SER 230 Cb -0.04 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2zml s SER 230 CO -0.15 0.05 -0.01 0.12 0.98 0.00 0.00 173.24 174.22 2zml s PHE 231 N -1.02 0.13 -0.17 5.02 5.36 -0.52 -1.65 117.98 125.13 2zml s PHE 231 Ca 0.04 -0.26 -0.11 0.00 -0.96 0.00 0.00 56.93 55.64 2zml s PHE 231 Cb -0.09 -0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.55 2zml s PHE 231 CO 0.03 -0.10 0.43 0.45 -1.46 0.00 0.00 175.22 174.57 2zml s SER 232 N -0.73 -0.52 -0.00 6.13 0.15 -0.76 -1.12 113.70 116.85 2zml s SER 232 Ca -0.08 0.92 -0.00 0.00 0.70 0.00 0.00 55.95 57.49 2zml s SER 232 Cb -0.05 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2zml s SER 232 CO -0.00 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.25 2zml s ALA 233 N 1.19 0.00 -0.09 5.45 0.00 0.28 -1.10 121.76 127.49 2zml s ALA 233 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2zml s ALA 233 Cb -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2zml s ALA 233 CO -0.11 -0.01 -0.13 -1.12 0.00 0.00 0.00 175.76 174.40 2zml s SER 234 N 0.06 2.13 -0.32 0.00 0.01 0.05 -1.01 113.70 114.62 2zml s SER 234 Ca -0.00 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2zml s SER 234 Cb -0.01 -0.95 0.06 0.00 0.21 0.00 0.00 66.02 65.34 2zml s SER 234 CO -0.00 0.01 0.05 -0.22 0.41 0.00 0.00 173.24 173.48 2zml s LEU 235 N 0.95 4.19 0.00 2.44 0.20 -0.64 -1.82 118.68 123.99 2zml s LEU 235 Ca -0.08 -1.40 0.00 0.00 0.69 0.00 0.00 54.13 53.33 2zml s LEU 235 Cb -0.15 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 2zml s LEU 235 CO -0.00 -0.32 0.97 -0.81 -0.29 0.00 0.00 176.35 175.90 2zml n PRO 236 N 4.63 0.00 0.00 0.98 -0.04 -1.26 -2.99 135.00 136.32 2zml n PRO 236 Ca -0.11 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2zml n PRO 236 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2zml n PRO 236 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87