#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 4.76 0.08 0.58 -1.32 -1.26 -3.52 115.64 114.96 2zml s THR 2 Ca 0.00 1.80 0.05 0.00 -1.21 0.00 0.00 61.69 62.33 2zml s THR 2 Cb 0.00 -4.21 -0.04 0.00 -1.51 0.00 0.00 72.50 66.74 2zml s THR 2 CO 0.00 -0.12 -0.03 -0.51 -2.21 0.00 0.00 174.62 171.74 2zml s ILE 3 N 3.00 3.81 -0.24 5.08 2.07 -0.24 -4.98 121.20 129.69 2zml s ILE 3 Ca 0.39 -1.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.35 2zml s ILE 3 Cb -0.15 -2.78 0.13 0.00 0.13 0.00 0.00 42.46 39.78 2zml s ILE 3 CO 0.07 0.16 1.04 -0.94 -1.91 0.00 0.00 174.94 173.37 2zml s SER 4 N -2.14 -0.40 0.07 4.50 1.04 -1.26 -0.65 113.70 114.86 2zml s SER 4 Ca 0.23 0.65 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 2zml s SER 4 Cb -0.11 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2zml s SER 4 CO 0.15 -0.21 0.02 0.72 0.98 0.00 0.00 173.24 174.90 2zml s PHE 5 N -0.28 0.48 -0.10 5.02 -0.12 -0.80 -5.00 117.98 117.18 2zml s PHE 5 Ca 0.02 -0.99 -0.06 0.00 -0.05 0.00 0.00 56.93 55.85 2zml s PHE 5 Cb -0.03 -0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2zml s PHE 5 CO -0.04 -0.43 0.24 1.21 -0.05 0.00 0.00 175.22 176.16 2zml s ASN 6 N -2.92 -0.26 -0.30 1.98 2.47 -1.26 -1.20 114.94 113.44 2zml s ASN 6 Ca 0.08 0.51 0.03 0.00 0.42 0.00 0.00 52.86 53.91 2zml s ASN 6 Cb 0.07 0.41 0.08 0.00 -1.45 0.00 0.00 41.25 40.37 2zml s ASN 6 CO -0.09 -0.15 -0.01 -0.36 -3.72 0.00 0.00 177.10 172.76 2zml s PHE 7 N 1.11 3.42 -0.46 0.43 0.08 1.00 -4.93 117.98 118.62 2zml s PHE 7 Ca -0.08 -2.63 0.23 0.00 0.12 0.00 0.00 56.93 54.57 2zml s PHE 7 Cb -0.09 -2.43 0.37 0.00 -0.57 0.00 0.00 43.02 40.30 2zml s PHE 7 CO -0.07 -0.91 1.61 -0.91 -0.10 0.00 0.00 175.22 174.84 2zml h ASN 8 N 7.71 0.00 -3.61 1.36 -0.26 -1.91 -0.78 115.58 118.09 2zml h ASN 8 Ca -0.11 -0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.45 2zml h ASN 8 Cb 1.03 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.25 2zml h ASN 8 CO 0.49 0.00 0.03 1.67 -1.06 0.00 0.00 177.43 178.56 2zml n GLN 9 N -3.01 0.90 -4.55 0.81 7.27 -1.26 -4.76 117.38 112.78 2zml n GLN 9 Ca 0.04 -2.61 -0.24 0.00 0.07 0.00 0.00 57.00 54.26 2zml n GLN 9 Cb 0.52 2.78 -0.17 0.00 2.41 0.00 0.00 30.24 35.78 2zml n GLN 9 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2zml s PHE 10 N -2.57 1.40 0.06 3.69 0.08 -1.03 -4.96 117.98 114.64 2zml s PHE 10 Ca 0.24 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.80 2zml s PHE 10 Cb -0.03 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2zml s PHE 10 CO 0.17 -0.27 0.06 -1.01 -0.10 0.00 0.00 175.22 174.08 2zml s HIS 11 N 0.68 3.18 0.34 0.36 3.76 -1.26 -4.35 115.29 117.99 2zml s HIS 11 Ca -0.14 0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 54.58 2zml s HIS 11 Cb -0.16 -1.64 -0.12 0.00 1.11 0.00 0.00 32.58 31.77 2zml s HIS 11 CO 0.03 0.52 1.32 0.94 -0.85 0.00 0.00 174.74 176.70 2zml n GLN 12 N 0.71 2.17 -3.14 1.40 -0.06 -1.26 -3.05 117.38 114.15 2zml n GLN 12 Ca -0.10 0.76 -0.04 0.00 -2.00 0.00 0.00 57.00 55.62 2zml n GLN 12 Cb 0.52 -2.36 0.00 0.00 -4.06 0.00 0.00 30.24 24.34 2zml n GLN 12 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2zml n ASN 13 N 0.85 -7.44 -4.56 1.69 4.13 -1.26 -4.92 115.26 103.74 2zml n ASN 13 Ca 0.05 -0.15 -0.43 0.00 1.68 0.00 0.00 54.58 55.74 2zml n ASN 13 Cb 0.36 -4.86 -0.05 0.00 -1.54 0.00 0.00 39.78 33.69 2zml n ASN 13 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2zml s GLU 14 N -3.21 3.58 0.51 3.52 0.41 -1.17 -4.92 118.70 117.42 2zml s GLU 14 Ca 0.02 0.11 0.15 0.00 -0.41 0.00 0.00 54.97 54.84 2zml s GLU 14 Cb -0.00 -3.87 1.23 0.00 -1.78 0.00 0.00 34.13 29.71 2zml s GLU 14 CO 0.77 -0.98 2.14 0.93 -0.49 0.00 0.00 175.26 177.62 2zml h GLU 15 N 8.73 0.05 0.00 1.61 5.08 -1.91 -2.26 114.58 125.89 2zml h GLU 15 Ca -0.25 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2zml h GLU 15 Cb 1.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2zml h GLU 15 CO 0.94 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 180.02 2zml n GLN 16 N -4.53 0.23 -4.37 2.33 1.13 -1.26 -4.84 117.38 106.07 2zml n GLN 16 Ca -0.02 0.31 -0.29 0.00 -1.94 0.00 0.00 57.00 55.06 2zml n GLN 16 Cb 0.10 -1.84 -0.12 0.00 0.11 0.00 0.00 30.24 28.49 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 -4.51 2.59 -0.31 1.08 1.43 -0.85 -0.07 118.68 118.04 2zml s LEU 17 Ca 0.08 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2zml s LEU 17 Cb 0.11 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.90 2zml s LEU 17 CO 0.50 0.19 0.06 -0.54 0.23 0.00 0.00 176.35 176.79 2zml s LYS 18 N -2.03 2.74 -0.09 1.70 1.02 -0.18 -4.79 119.74 118.11 2zml s LYS 18 Ca 0.17 -1.08 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2zml s LYS 18 Cb -0.10 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 2zml s LYS 18 CO 0.09 -0.56 0.27 -0.51 -0.92 0.00 0.00 175.35 173.71 2zml s LEU 19 N 1.39 4.38 0.06 3.17 1.02 -1.26 -1.35 118.68 126.10 2zml s LEU 19 Ca -0.01 0.64 0.06 0.00 0.02 0.00 0.00 54.13 54.85 2zml s LEU 19 Cb -0.19 -2.32 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 2zml s LEU 19 CO 0.01 0.30 -0.17 -1.10 0.02 0.00 0.00 176.35 175.41 2zml s GLN 20 N -0.66 1.04 5.97 1.70 -0.21 -0.73 -4.99 119.66 121.77 2zml s GLN 20 Ca 0.18 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.63 2zml s GLN 20 Cb -0.14 -1.13 0.00 0.00 1.00 0.00 0.00 33.01 32.74 2zml s GLN 20 CO 0.07 0.27 0.00 0.54 -2.12 0.00 0.00 175.29 174.05 2zml n ARG 21 N 1.56 0.00 0.00 2.91 5.12 -1.26 -2.39 116.66 122.60 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 0.51 0.00 -1.16 0.00 0.00 32.46 32.35 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 3.89 0.00 -4.74 0.55 8.00 -0.21 -4.86 116.55 119.18 2zml n ASP 22 Ca 0.00 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 2zml n ASP 22 Cb 0.00 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.47 3.70 0.12 2.24 0.00 -1.00 -4.34 121.76 120.01 2zml s ALA 23 Ca 0.21 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.45 2zml s ALA 23 Cb 0.13 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2zml s ALA 23 CO 0.29 -0.79 0.26 1.03 0.00 0.00 0.00 175.76 176.55 2zml s ARG 24 N 0.18 0.99 -0.21 0.00 1.81 -0.23 -4.65 118.95 116.84 2zml s ARG 24 Ca 0.64 -0.97 -0.06 0.00 -1.72 0.00 0.00 55.73 53.62 2zml s ARG 24 Cb -0.43 0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 2zml s ARG 24 CO 0.39 -0.35 0.02 0.42 -0.68 0.00 0.00 175.30 175.11 2zml s ILE 25 N -3.88 4.09 0.89 1.52 1.01 -1.26 -0.38 121.20 123.19 2zml s ILE 25 Ca 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 2zml s ILE 25 Cb 0.04 -2.86 0.13 0.00 0.01 0.00 0.00 42.46 39.78 2zml s ILE 25 CO -0.08 0.41 1.20 -0.94 0.00 0.00 0.00 174.94 175.53 2zml s SER 26 N 1.05 3.77 0.14 3.58 1.04 -0.47 -4.88 113.70 117.93 2zml s SER 26 Ca 0.03 0.71 -0.17 0.00 0.48 0.00 0.00 55.95 56.99 2zml s SER 26 Cb -0.14 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 2zml s SER 26 CO 0.02 -2.36 1.78 0.28 0.98 0.00 0.00 173.24 173.94 2zml h SER 27 N -1.38 0.39 0.00 7.02 0.02 -1.97 -2.03 113.55 115.60 2zml h SER 27 Ca -0.47 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2zml h SER 27 Cb 1.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2zml h SER 27 CO 0.57 0.30 0.00 -0.46 -1.14 0.00 0.00 176.83 176.10 2zml n ASN 28 N -4.84 0.73 -0.56 3.07 0.23 -1.26 -4.87 115.26 107.76 2zml n ASN 28 Ca -0.01 -1.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.11 2zml n ASN 28 Cb 0.04 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 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 -0.08 -3.91 -4.89 0.53 2.88 -0.76 -4.98 113.62 102.41 2zml n SER 29 Ca 0.00 0.18 -0.33 0.00 -1.33 0.00 0.00 58.87 57.39 2zml n SER 29 Cb 0.18 -2.05 -0.05 0.00 -0.75 0.00 0.00 64.21 61.54 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 -2.26 5.23 -0.51 2.46 -7.23 -1.26 -2.47 120.40 114.36 2zml s VAL 30 Ca 0.00 0.07 -0.23 0.00 -1.81 0.00 0.00 61.98 60.01 2zml s VAL 30 Cb 0.00 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.37 2zml s VAL 30 CO 0.00 0.18 0.85 -0.22 -0.31 0.00 0.00 175.10 175.60 2zml s LEU 31 N -2.27 4.25 -0.50 1.32 2.96 -0.32 -1.36 118.68 122.75 2zml s LEU 31 Ca 0.35 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 2zml s LEU 31 Cb -0.13 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.77 2zml s LEU 31 CO 0.22 -1.08 0.58 -1.61 -1.32 0.00 0.00 176.35 173.15 2zml s GLU 32 N 3.57 3.10 0.10 1.98 2.02 0.48 -0.37 118.70 129.58 2zml s GLU 32 Ca 0.29 -0.95 -0.17 0.00 0.02 0.00 0.00 54.97 54.16 2zml s GLU 32 Cb -0.13 -4.10 -0.06 0.00 0.10 0.00 0.00 34.13 29.94 2zml s GLU 32 CO 0.20 -1.18 1.52 -0.07 0.02 0.00 0.00 175.26 175.75 2zml h LEU 33 N 9.54 0.57 -9.49 1.80 3.38 -1.60 -0.60 115.31 118.91 2zml h LEU 33 Ca -0.28 -0.34 -0.60 0.00 0.09 0.00 0.00 57.88 56.76 2zml h LEU 33 Cb 1.10 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 2zml h LEU 33 CO 0.95 0.78 -0.66 0.42 0.09 0.00 0.00 178.44 180.01 2zml s THR 34 N -4.87 3.62 0.25 0.22 -4.23 -1.26 -2.80 115.64 106.57 2zml s THR 34 Ca -0.13 -1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 2zml s THR 34 Cb 0.08 -2.83 -0.13 0.00 1.34 0.00 0.00 72.50 70.96 2zml s THR 34 CO 0.78 -0.15 1.45 1.17 -0.54 0.00 0.00 174.62 177.33 2zml n LYS 35 N -0.21 2.19 -3.63 3.99 4.81 -1.26 -4.75 118.16 119.30 2zml n LYS 35 Ca -0.09 0.78 -0.18 0.00 -0.87 0.00 0.00 58.31 57.95 2zml n LYS 35 Cb 0.56 -2.46 -0.15 0.00 0.02 0.00 0.00 35.03 32.99 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 -0.27 -0.17 3.15 0.11 -1.26 -2.72 120.40 119.18 2zml s VAL 36 Ca 0.67 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2zml s VAL 36 Cb -0.61 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2zml s VAL 36 CO 0.49 0.04 -0.12 0.68 -3.33 0.00 0.00 175.10 172.86 2zml s VAL 37 N 2.29 2.89 -1.47 2.04 -7.23 0.51 -4.66 120.40 114.77 2zml s VAL 37 Ca 0.04 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2zml s VAL 37 Cb -0.13 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2zml s VAL 37 CO -0.07 0.49 0.87 0.59 -0.31 0.00 0.00 175.10 176.67 2zml n ASN 38 N 4.27 -6.03 0.00 4.85 5.03 -1.26 -1.73 115.26 120.39 2zml n ASN 38 Ca -0.19 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 54.83 2zml n ASN 38 Cb 0.51 -4.81 0.00 0.00 -1.02 0.00 0.00 39.78 34.46 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 -1.72 0.68 3.08 7.41 0.00 -1.26 -5.03 105.19 108.34 2zml n GLY 39 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.62 1.55 0.33 1.61 1.01 -0.71 -5.12 120.40 116.46 2zml s VAL 40 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 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 1.07 -2.16 0.00 0.00 0.00 175.10 174.46 2zml s PRO 41 N 0.81 4.44 0.40 2.72 0.04 -1.26 -0.37 135.00 141.78 2zml s PRO 41 Ca -0.10 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2zml s PRO 41 Cb -0.16 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2zml s PRO 41 CO 0.01 0.07 0.23 0.95 0.04 0.00 0.00 177.00 178.30 2zml s THR 42 N -1.37 2.55 0.26 1.26 -4.23 -1.10 -4.79 115.64 108.23 2zml s THR 42 Ca 0.50 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2zml s THR 42 Cb -0.28 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.62 2zml s THR 42 CO 0.35 -0.03 0.36 -2.67 -0.54 0.00 0.00 174.62 172.09 2zml n TRP 43 N -1.32 -3.41 -3.25 3.99 4.27 -1.26 -4.48 117.44 111.97 2zml n TRP 43 Ca -0.00 -0.54 -0.22 0.00 -3.89 0.00 0.00 57.50 52.85 2zml n TRP 43 Cb 0.63 -0.27 -0.00 0.00 -1.36 0.00 0.00 31.31 30.31 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 -3.04 -3.91 -4.41 -0.67 5.15 0.31 -4.88 115.26 103.80 2zml n ASN 44 Ca 0.05 -0.33 -0.31 0.00 -0.60 0.00 0.00 54.58 53.40 2zml n ASN 44 Cb 0.20 -3.23 -0.14 0.00 -0.53 0.00 0.00 39.78 36.07 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 3.61 -0.10 1.20 0.15 -1.26 -4.98 113.70 109.66 2zml s SER 45 Ca 0.36 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 2zml s SER 45 Cb -0.19 -0.57 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 2zml s SER 45 CO 0.44 0.30 0.25 -0.89 1.20 0.00 0.00 173.24 174.54 2zml s THR 46 N -0.79 -0.03 0.00 6.45 2.01 -1.26 -0.29 115.64 121.74 2zml s THR 46 Ca 0.12 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 2zml s THR 46 Cb -0.10 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.05 2zml s THR 46 CO 0.02 0.04 0.35 -0.83 -0.69 0.00 0.00 174.62 173.51 2zml s GLY 47 N 0.94 -0.19 0.09 4.40 0.00 -0.87 -1.04 107.32 110.66 2zml s GLY 47 Ca -0.07 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.00 2zml s GLY 47 CO -0.06 0.10 -0.07 0.50 0.00 0.00 0.00 173.10 173.57 2zml s ARG 48 N -1.70 0.79 -0.09 2.90 0.52 -1.07 -1.29 118.95 119.02 2zml s ARG 48 Ca -0.11 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 53.83 2zml s ARG 48 Cb -0.03 -0.24 0.05 0.00 0.52 0.00 0.00 34.95 35.24 2zml s ARG 48 CO 0.02 -0.00 0.11 0.00 0.02 0.00 0.00 175.30 175.45 2zml s ALA 49 N -3.21 0.12 0.08 2.13 0.00 0.08 -1.77 121.76 119.18 2zml s ALA 49 Ca 0.08 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2zml s ALA 49 Cb 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2zml s ALA 49 CO -0.04 -0.69 -0.15 -0.51 0.00 0.00 0.00 175.76 174.37 2zml s LEU 50 N 2.21 2.79 -0.00 0.00 2.01 -0.45 -0.86 118.68 124.38 2zml s LEU 50 Ca 0.04 -0.44 -0.30 0.00 0.01 0.00 0.00 54.13 53.44 2zml s LEU 50 Cb -0.13 -1.63 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 2zml s LEU 50 CO -0.06 0.21 1.31 -0.47 1.01 0.00 0.00 176.35 178.36 2zml s TYR 51 N -1.07 3.05 0.30 0.29 5.04 -0.46 -1.01 117.35 123.49 2zml s TYR 51 Ca 0.18 1.01 0.06 0.00 -2.44 0.00 0.00 57.07 55.87 2zml s TYR 51 Cb -0.11 -3.56 0.78 0.00 0.35 0.00 0.00 41.96 39.42 2zml s TYR 51 CO 0.09 -1.95 1.71 0.00 -1.34 0.00 0.00 175.55 174.06 2zml h ALA 52 N 7.52 1.56 -2.55 3.97 0.00 -0.79 -3.42 119.26 125.54 2zml h ALA 52 Ca -0.37 0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 2zml h ALA 52 Cb 1.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2zml h ALA 52 CO 0.88 -0.30 -0.19 0.15 0.00 0.00 0.00 179.25 179.79 2zml s LYS 53 N -5.85 3.69 0.37 0.00 1.02 -1.26 -5.00 119.74 112.72 2zml s LYS 53 Ca -0.11 0.08 -0.14 0.00 0.02 0.00 0.00 55.97 55.81 2zml s LYS 53 Cb 0.26 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 2zml s LYS 53 CO 0.79 0.33 0.78 -1.25 -0.92 0.00 0.00 175.35 175.08 2zml s PRO 54 N -2.99 3.95 0.06 -1.68 0.04 -1.26 -4.79 135.00 128.33 2zml s PRO 54 Ca 0.44 0.67 0.08 0.00 0.04 0.00 0.00 61.00 62.22 2zml s PRO 54 Cb -0.11 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2zml s PRO 54 CO 0.25 0.05 -0.18 0.14 0.04 0.00 0.00 177.00 177.29 2zml s VAL 55 N -2.17 2.80 -0.37 -0.36 -7.23 0.51 -4.90 120.40 108.68 2zml s VAL 55 Ca 0.54 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 59.29 2zml s VAL 55 Cb -0.10 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 2zml s VAL 55 CO 0.22 0.28 0.38 -1.58 -0.31 0.00 0.00 175.10 174.09 2zml s GLN 56 N -1.62 3.41 0.17 4.82 0.74 -1.26 -0.66 119.66 125.26 2zml s GLN 56 Ca 0.15 -0.53 0.23 0.00 0.05 0.00 0.00 55.36 55.26 2zml s GLN 56 Cb -0.10 -3.86 0.06 0.00 1.10 0.00 0.00 33.01 30.21 2zml s GLN 56 CO 0.06 -0.63 1.08 1.33 -0.55 0.00 0.00 175.29 176.59 2zml n VAL 57 N 5.29 0.53 -3.48 1.34 0.24 -0.30 -4.80 118.33 117.16 2zml n VAL 57 Ca -0.09 -0.47 -0.16 0.00 -2.04 0.00 0.00 64.34 61.59 2zml n VAL 57 Cb 0.49 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 2zml n VAL 57 CO 0.00 0.00 0.00 -1.66 -2.14 0.00 0.00 176.83 173.03 2zml s TRP 58 N -3.32 -0.61 -0.20 6.34 1.48 -1.23 0.92 118.94 122.33 2zml s TRP 58 Ca 0.01 0.80 -0.01 0.00 -1.06 0.00 0.00 56.10 55.84 2zml s TRP 58 Cb 0.11 0.47 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 2zml s TRP 58 CO 0.78 -0.70 -0.13 0.34 -4.06 0.00 0.00 176.95 173.18 2zml s ASP 59 N -1.81 3.63 0.50 -2.66 2.15 -0.63 -4.56 116.67 113.29 2zml s ASP 59 Ca -0.06 -0.55 0.23 0.00 0.43 0.00 0.00 52.55 52.60 2zml s ASP 59 Cb -0.00 -1.59 1.32 0.00 -0.30 0.00 0.00 42.92 42.35 2zml s ASP 59 CO 0.01 -0.01 2.05 0.77 -0.17 0.00 0.00 175.17 177.82 2zml h SER 60 N 8.01 0.00 0.15 -0.34 4.64 -1.93 0.77 113.55 124.86 2zml h SER 60 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 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 -0.07 0.74 -0.87 0.00 0.00 176.83 177.39 2zml h THR 61 N 0.00 0.99 0.00 2.95 2.02 -1.97 -3.32 112.91 113.58 2zml h THR 61 Ca -0.00 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 2zml h THR 61 Cb 0.32 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2zml h THR 61 CO 0.02 0.17 -1.31 0.35 0.37 0.00 0.00 175.52 175.12 2zml n THR 62 N -5.02 0.45 -0.31 3.16 -2.24 -1.17 -4.96 114.28 104.19 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 -0.24 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 2.01 3.76 3.38 0.00 0.27 -5.01 105.19 110.80 2zml n GLY 63 Ca -0.01 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 -3.47 5.57 0.06 1.61 0.02 -1.22 -4.77 114.94 112.73 2zml s ASN 64 Ca 0.00 2.48 0.08 0.00 -1.02 0.00 0.00 52.86 54.40 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 -1.34 -0.20 -0.69 0.02 0.00 0.00 177.10 174.89 2zml s VAL 65 N -1.48 2.66 0.51 1.60 1.01 -1.26 -1.60 120.40 121.84 2zml s VAL 65 Ca 0.71 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2zml s VAL 65 Cb -0.33 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2zml s VAL 65 CO 0.38 0.28 0.93 0.00 0.00 0.00 0.00 175.10 176.70 2zml s ALA 66 N -0.95 3.17 0.04 5.51 0.00 0.26 -4.64 121.76 125.14 2zml s ALA 66 Ca 0.15 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2zml s ALA 66 Cb -0.10 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2zml s ALA 66 CO 0.06 -0.31 -0.12 -1.12 0.00 0.00 0.00 175.76 174.26 2zml s SER 67 N -3.46 4.21 0.10 0.00 0.01 -1.01 -4.26 113.70 109.28 2zml s SER 67 Ca 0.55 -0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 2zml s SER 67 Cb -0.10 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2zml s SER 67 CO 0.38 0.25 0.24 0.72 0.41 0.00 0.00 173.24 175.24 2zml s PHE 68 N -1.00 0.11 -0.01 2.43 -0.12 -0.94 -0.03 117.98 118.42 2zml s PHE 68 Ca 0.17 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 2zml s PHE 68 Cb -0.11 0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2zml s PHE 68 CO 0.08 -0.59 0.00 -2.00 -0.05 0.00 0.00 175.22 172.66 2zml s GLU 69 N -3.86 0.08 -0.00 1.99 2.12 0.55 -0.48 118.70 119.09 2zml s GLU 69 Ca 0.06 0.04 -0.00 0.00 0.36 0.00 0.00 54.97 55.43 2zml s GLU 69 Cb 0.04 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.25 2zml s GLU 69 CO -0.10 -0.05 0.01 -0.08 -0.54 0.00 0.00 175.26 174.50 2zml s THR 70 N 0.43 -0.00 0.01 -1.70 -1.32 0.52 -1.18 115.64 112.40 2zml s THR 70 Ca -0.04 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.50 2zml s THR 70 Cb -0.06 -0.03 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 2zml s THR 70 CO -0.01 0.01 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.14 2zml s ARG 71 N 0.07 0.98 0.17 7.08 0.52 -0.63 -0.45 118.95 126.69 2zml s ARG 71 Ca -0.01 -0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 54.39 2zml s ARG 71 Cb -0.01 -0.96 0.06 0.00 0.52 0.00 0.00 34.95 34.57 2zml s ARG 71 CO -0.00 0.25 0.63 -0.59 0.02 0.00 0.00 175.30 175.61 2zml s PHE 72 N -0.55 -0.49 0.00 -0.53 -0.71 -0.85 -0.44 117.98 114.42 2zml s PHE 72 Ca 0.03 0.25 0.08 0.00 -1.04 0.00 0.00 56.93 56.24 2zml s PHE 72 Cb -0.06 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 2zml s PHE 72 CO 0.00 -0.89 -0.24 -1.12 -1.34 0.00 0.00 175.22 171.64 2zml s SER 73 N -2.76 2.79 0.19 1.98 0.01 -1.12 -1.01 113.70 113.78 2zml s SER 73 Ca 0.02 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.81 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 -0.10 0.27 0.10 0.72 0.41 0.00 0.00 173.24 174.63 2zml s PHE 74 N -0.63 1.16 -0.09 2.43 -0.12 -0.78 -0.45 117.98 119.50 2zml s PHE 74 Ca 0.09 -1.28 -0.04 0.00 -0.05 0.00 0.00 56.93 55.65 2zml s PHE 74 Cb -0.09 -0.61 0.04 0.00 -0.63 0.00 0.00 43.02 41.73 2zml s PHE 74 CO 0.00 -0.53 0.20 0.45 -0.05 0.00 0.00 175.22 175.29 2zml s SER 75 N -3.16 -0.19 -0.21 1.98 0.15 -0.17 -1.22 113.70 110.88 2zml s SER 75 Ca 0.34 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.42 2zml s SER 75 Cb 0.07 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2zml s SER 75 CO 0.09 -0.15 -0.13 -0.63 1.20 0.00 0.00 173.24 173.62 2zml s ILE 76 N 1.10 1.89 -0.28 6.45 1.01 -1.26 -2.01 121.20 128.11 2zml s ILE 76 Ca -0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 2zml s ILE 76 Cb -0.10 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.48 2zml s ILE 76 CO -0.07 0.23 0.05 -0.60 0.00 0.00 0.00 174.94 174.55 2zml s ARG 77 N 1.29 3.15 -0.75 2.79 3.52 -1.26 -0.66 118.95 127.02 2zml s ARG 77 Ca -0.01 -0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.66 2zml s ARG 77 Cb -0.16 -3.28 0.20 0.00 -1.56 0.00 0.00 34.95 30.15 2zml s ARG 77 CO -0.09 -0.39 0.67 -0.65 -0.81 0.00 0.00 175.30 174.03 2zml s GLN 78 N 1.49 3.30 0.24 5.12 -0.21 -1.26 -2.76 119.66 125.58 2zml s GLN 78 Ca 0.03 -2.42 -0.05 0.00 0.02 0.00 0.00 55.36 52.94 2zml s GLN 78 Cb -0.17 -4.25 0.26 0.00 1.00 0.00 0.00 33.01 29.86 2zml s GLN 78 CO 0.01 -1.26 1.82 -1.35 -2.12 0.00 0.00 175.29 172.39 2zml h PRO 79 N 7.68 1.09 -4.24 2.91 0.11 -1.96 -3.39 132.00 134.19 2zml h PRO 79 Ca 0.05 -0.18 -0.71 0.00 0.11 0.00 0.00 66.00 65.27 2zml h PRO 79 Cb 1.02 -0.18 -0.33 0.00 0.11 0.00 0.00 31.00 31.62 2zml h PRO 79 CO 0.76 0.88 -0.44 -0.06 -0.21 0.00 0.00 178.00 178.93 2zml s PHE 80 N -5.52 3.51 0.22 0.65 0.08 -1.26 -4.97 117.98 110.69 2zml s PHE 80 Ca -0.12 -2.28 -0.07 0.00 0.12 0.00 0.00 56.93 54.58 2zml s PHE 80 Cb 0.16 -3.33 0.33 0.00 -0.57 0.00 0.00 43.02 39.61 2zml s PHE 80 CO 0.82 -0.96 1.78 -1.35 -0.10 0.00 0.00 175.22 175.41 2zml h PRO 81 N 7.99 0.58 -6.43 0.24 0.11 -1.93 -3.40 132.00 129.16 2zml h PRO 81 Ca -0.13 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.28 2zml h PRO 81 Cb 1.04 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 31.85 2zml h PRO 81 CO 0.76 0.38 -0.73 1.03 -0.21 0.00 0.00 178.00 179.23 2zml s ARG 82 N -6.06 2.34 0.24 1.05 3.00 -1.26 -3.92 118.95 114.34 2zml s ARG 82 Ca -0.13 -0.87 0.19 0.00 0.00 0.00 0.00 55.73 54.93 2zml s ARG 82 Cb 0.18 -2.39 0.06 0.00 0.00 0.00 0.00 34.95 32.79 2zml s ARG 82 CO 0.76 0.56 1.21 -1.00 0.00 0.00 0.00 175.30 176.83 2zml h PRO 83 N 4.14 0.00 0.00 3.54 0.13 -1.87 -3.47 132.00 134.47 2zml h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2zml h PRO 83 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2zml h PRO 83 CO 0.53 0.19 0.00 -2.39 -0.23 0.00 0.00 178.00 176.10 2zml n HIS 84 N -2.96 0.00 -0.95 1.56 1.44 -1.25 -5.12 115.22 107.94 2zml n HIS 84 Ca -0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.39 2zml n HIS 84 Cb 0.66 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.91 2zml n HIS 84 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 2zml s PRO 85 N 0.00 1.46 -0.01 -1.40 0.02 -1.26 -4.06 135.00 129.74 2zml s PRO 85 Ca 0.00 1.33 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 2zml s PRO 85 Cb 0.00 -1.79 0.08 0.00 0.02 0.00 0.00 34.50 32.80 2zml s PRO 85 CO 0.00 -2.25 0.70 0.00 -0.33 0.00 0.00 177.00 175.12 2zml s ALA 86 N -2.76 -1.75 -0.00 -1.55 0.00 -1.26 -4.20 121.76 110.24 2zml s ALA 86 Ca 0.64 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2zml s ALA 86 Cb -0.20 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2zml s ALA 86 CO 0.57 -0.46 0.00 -0.25 0.00 0.00 0.00 175.76 175.63 2zml n ASP 87 N 0.58 4.96 0.00 0.00 9.92 0.19 -3.63 116.55 128.58 2zml n ASP 87 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 2zml n ASP 87 Cb 0.59 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 42.05 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 2.52 0.84 3.09 0.44 0.00 -1.21 -1.53 105.19 109.34 2zml n GLY 88 Ca -0.00 -2.13 -0.09 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 2.43 0.14 0.99 0.05 -1.02 -2.60 118.68 118.67 2zml s LEU 89 Ca 0.00 -0.88 0.01 0.00 0.05 0.00 0.00 54.13 53.31 2zml s LEU 89 Cb 0.00 0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 44.20 2zml s LEU 89 CO 0.00 -0.49 0.00 0.68 -0.55 0.00 0.00 176.35 175.99 2zml s VAL 90 N -3.24 0.49 -0.14 1.48 -7.23 0.79 -1.02 120.40 111.53 2zml s VAL 90 Ca 0.03 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2zml s VAL 90 Cb 0.03 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2zml s VAL 90 CO -0.07 -0.59 -0.10 0.12 -0.31 0.00 0.00 175.10 174.16 2zml s PHE 91 N -3.77 2.88 0.17 2.82 5.36 -0.47 -1.97 117.98 123.00 2zml s PHE 91 Ca 0.20 -0.57 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 2zml s PHE 91 Cb 0.06 -1.89 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2zml s PHE 91 CO 0.01 -0.18 0.05 -0.59 -1.46 0.00 0.00 175.22 173.04 2zml s PHE 92 N 0.42 1.10 -0.08 10.12 -0.71 -0.00 -0.84 117.98 127.99 2zml s PHE 92 Ca -0.08 -1.17 0.02 0.00 -1.04 0.00 0.00 56.93 54.65 2zml s PHE 92 Cb -0.15 -0.61 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 2zml s PHE 92 CO 0.04 -0.41 -0.11 0.42 -1.34 0.00 0.00 175.22 173.83 2zml s ILE 93 N -3.89 1.12 0.22 -4.49 1.01 0.24 -1.91 121.20 113.50 2zml s ILE 93 Ca 0.27 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 2zml s ILE 93 Cb 0.07 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 2zml s ILE 93 CO 0.05 0.36 0.36 0.00 0.00 0.00 0.00 174.94 175.71 2zml s ALA 94 N 0.95 0.18 0.60 9.38 0.00 -0.78 -1.55 121.76 130.53 2zml s ALA 94 Ca -0.09 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 2zml s ALA 94 Cb -0.15 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 2zml s ALA 94 CO 0.00 -0.75 1.25 -2.14 0.00 0.00 0.00 175.76 174.12 2zml s PRO 95 N -4.05 2.91 0.78 0.00 0.02 -1.26 -0.59 135.00 132.81 2zml s PRO 95 Ca 0.26 1.95 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 2zml s PRO 95 Cb 0.02 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.64 2zml s PRO 95 CO 0.09 -1.29 1.13 -1.25 -0.33 0.00 0.00 177.00 175.35 2zml s PRO 96 N -3.26 2.02 -1.20 5.54 0.04 -1.26 -4.03 135.00 132.86 2zml s PRO 96 Ca 0.78 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2zml s PRO 96 Cb -0.34 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2zml s PRO 96 CO 0.37 -1.86 1.01 0.09 0.04 0.00 0.00 177.00 176.66 2zml n ASN 97 N -3.34 -3.18 -5.00 6.66 5.03 -1.26 -5.01 115.26 109.16 2zml n ASN 97 Ca 0.11 -0.58 -0.18 0.00 0.87 0.00 0.00 54.58 54.80 2zml n ASN 97 Cb 0.52 -4.94 0.01 0.00 -1.02 0.00 0.00 39.78 34.35 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 -3.34 3.48 0.13 3.41 -4.23 -1.26 -5.12 115.64 108.72 2zml s THR 98 Ca 0.15 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 2zml s THR 98 Cb -0.07 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 2zml s THR 98 CO 0.70 -0.09 -0.09 0.00 -0.54 0.00 0.00 174.62 174.61 2zml s GLN 99 N -4.32 2.14 0.25 3.99 0.00 -1.26 -5.08 119.66 115.37 2zml s GLN 99 Ca 0.51 -1.09 -0.30 0.00 -0.00 0.00 0.00 55.36 54.48 2zml s GLN 99 Cb -0.10 -2.28 -0.14 0.00 0.00 0.00 0.00 33.01 30.49 2zml s GLN 99 CO 0.33 0.49 1.23 2.41 0.00 0.00 0.00 175.29 179.74 2zml n THR 100 N 0.47 1.32 -0.96 3.63 -1.04 -1.26 -4.96 114.28 111.48 2zml n THR 100 Ca -0.12 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2zml n THR 100 Cb 0.53 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 0.74 3.76 3.41 0.00 0.11 -4.98 105.19 109.95 2zml n GLY 101 Ca 0.11 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 1.63 3.12 0.00 1.61 2.56 0.17 -4.56 118.70 123.22 2zml s GLU 102 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 54.97 56.74 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 -1.08 0.00 0.41 -0.56 0.00 0.00 175.26 174.03 2zml n GLY 103 N 0.41 1.15 7.00 -1.50 0.00 -1.26 -0.21 105.19 110.77 2zml n GLY 103 Ca 0.13 -1.55 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 -1.25 -1.58 105.19 109.48 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 -0.18 0.76 -0.02 0.00 -1.26 -0.96 105.19 103.53 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 -1.17 0.00 -0.37 1.61 4.01 -0.62 -4.95 117.16 115.68 2zml n TYR 106 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2zml n TYR 106 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.86 0.00 -0.49 -0.72 3.72 -0.14 -1.73 117.46 118.97 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 0.50 -1.24 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 -1.26 0.75 0.00 1.37 0.00 0.71 -3.32 105.19 103.44 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 -4.47 -0.61 -5.35 -0.71 0.05 119.36 105.78 2zml n ILE 109 Ca 0.00 -0.26 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 2zml n ILE 109 Cb 0.00 0.70 -0.12 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.04 2.99 -0.36 4.28 5.04 -1.22 -4.74 117.35 121.29 2zml s TYR 110 Ca 0.00 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2zml s TYR 110 Cb 0.05 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.56 2zml s TYR 110 CO 0.29 -0.01 0.15 1.21 -1.34 0.00 0.00 175.55 175.85 2zml s ASN 111 N 0.21 3.96 0.40 4.32 2.47 -1.26 -0.66 114.94 124.38 2zml s ASN 111 Ca -0.03 -2.07 0.16 0.00 0.42 0.00 0.00 52.86 51.34 2zml s ASN 111 Cb -0.14 -1.01 1.04 0.00 -1.45 0.00 0.00 41.25 39.69 2zml s ASN 111 CO 0.03 -0.35 1.84 -0.65 -3.72 0.00 0.00 177.10 174.25 2zml h PRO 112 N 7.51 0.45 -0.14 0.43 0.11 -1.99 -0.39 132.00 137.99 2zml h PRO 112 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2zml h PRO 112 Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2zml h PRO 112 CO 0.48 0.29 0.00 1.28 -0.21 0.00 0.00 178.00 179.84 2zml n LEU 113 N -4.55 0.14 0.00 2.35 4.32 -1.26 -4.29 117.00 113.70 2zml n LEU 113 Ca 0.20 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2zml n LEU 113 Cb 0.69 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 2zml n LEU 113 CO 0.29 0.03 0.00 -1.20 -1.22 0.00 0.00 177.39 175.30 2zml n SER 114 N -0.43 0.00 -4.74 -1.43 7.64 -0.58 -5.16 113.62 108.92 2zml n SER 114 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2zml n SER 114 Cb 0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2zml n SER 114 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2zml s PRO 115 N 0.00 4.33 0.06 1.43 0.02 -0.26 -4.68 135.00 135.91 2zml s PRO 115 Ca 0.00 2.17 0.09 0.00 0.02 0.00 0.00 61.00 63.28 2zml s PRO 115 Cb 0.00 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 2zml s PRO 115 CO 0.00 -0.34 -0.25 1.52 -0.33 0.00 0.00 177.00 177.61 2zml s TYR 116 N 0.07 2.16 0.71 6.54 -0.85 -1.26 -5.05 117.35 119.67 2zml s TYR 116 Ca 0.58 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 56.58 2zml s TYR 116 Cb -0.39 -1.26 0.03 0.00 0.38 0.00 0.00 41.96 40.71 2zml s TYR 116 CO 0.40 0.16 1.18 -1.25 -1.52 0.00 0.00 175.55 174.52 2zml s PRO 117 N -1.39 2.32 -0.07 -3.49 0.04 -1.26 -4.94 135.00 126.21 2zml s PRO 117 Ca 0.11 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2zml s PRO 117 Cb -0.10 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.69 2zml s PRO 117 CO 0.03 -1.67 0.94 -0.59 0.04 0.00 0.00 177.00 175.74 2zml s PHE 118 N -2.08 -0.35 -0.08 0.56 -0.12 -1.26 -4.10 117.98 110.56 2zml s PHE 118 Ca 0.72 0.37 0.03 0.00 -0.05 0.00 0.00 56.93 58.00 2zml s PHE 118 Cb -0.27 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 2zml s PHE 118 CO 0.44 -0.46 -0.19 0.08 -0.05 0.00 0.00 175.22 175.05 2zml s VAL 119 N -2.36 1.63 0.02 -2.49 1.01 -0.59 -0.14 120.40 117.47 2zml s VAL 119 Ca 0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2zml s VAL 119 Cb -0.01 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2zml s VAL 119 CO -0.05 0.46 0.23 0.00 0.00 0.00 0.00 175.10 175.74 2zml s ALA 120 N 0.44 -0.51 -0.23 5.51 0.00 0.06 -0.59 121.76 126.45 2zml s ALA 120 Ca -0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2zml s ALA 120 Cb -0.17 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2zml s ALA 120 CO 0.06 -0.30 -0.05 0.08 0.00 0.00 0.00 175.76 175.55 2zml s VAL 121 N -1.95 3.18 0.11 0.00 1.01 -0.02 -0.21 120.40 122.51 2zml s VAL 121 Ca -0.10 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2zml s VAL 121 Cb -0.04 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2zml s VAL 121 CO -0.00 0.36 0.09 -1.83 0.00 0.00 0.00 175.10 173.72 2zml s GLU 122 N 1.43 2.86 -0.58 2.72 -1.05 0.08 -1.36 118.70 122.79 2zml s GLU 122 Ca 0.04 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 54.13 2zml s GLU 122 Cb -0.15 -2.68 0.15 0.00 -0.44 0.00 0.00 34.13 31.02 2zml s GLU 122 CO -0.04 0.53 0.38 -0.06 0.95 0.00 0.00 175.26 177.02 2zml s PHE 123 N -1.52 2.95 -0.13 4.83 0.08 -0.19 -1.48 117.98 122.50 2zml s PHE 123 Ca 0.30 -3.04 -0.28 0.00 0.12 0.00 0.00 56.93 54.02 2zml s PHE 123 Cb -0.11 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.92 2zml s PHE 123 CO 0.22 -0.66 0.96 0.34 -0.10 0.00 0.00 175.22 175.98 2zml s ASP 124 N -0.71 7.15 -0.00 1.36 -1.08 -0.70 -2.43 116.67 120.25 2zml s ASP 124 Ca 0.23 1.42 0.09 0.00 -0.52 0.00 0.00 52.55 53.77 2zml s ASP 124 Cb -0.12 -2.52 -0.12 0.00 -1.46 0.00 0.00 42.92 38.70 2zml s ASP 124 CO -0.10 -0.45 0.34 0.35 0.52 0.00 0.00 175.17 175.84 2zml n THR 125 N 4.64 0.00 -5.17 1.71 -2.24 -0.58 -1.72 114.28 110.93 2zml n THR 125 Ca 0.08 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 2zml n THR 125 Cb 0.49 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.12 2.49 -0.60 4.78 5.36 -1.21 -4.72 117.98 121.96 2zml s PHE 126 Ca 0.01 -0.52 -0.22 0.00 -0.96 0.00 0.00 56.93 55.24 2zml s PHE 126 Cb 0.07 -1.60 0.07 0.00 -0.34 0.00 0.00 43.02 41.22 2zml s PHE 126 CO 0.39 -0.09 0.86 0.50 -1.46 0.00 0.00 175.22 175.43 2zml s ARG 127 N -0.37 3.15 0.80 10.12 3.52 -1.26 -4.96 118.95 129.95 2zml s ARG 127 Ca 0.03 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.72 2zml s ARG 127 Cb -0.12 -4.18 0.10 0.00 -1.56 0.00 0.00 34.95 29.19 2zml s ARG 127 CO 0.02 -1.61 1.14 -0.80 -0.81 0.00 0.00 175.30 173.24 2zml s ASN 128 N 3.34 4.30 0.50 -2.12 -0.87 -1.26 -4.91 114.94 113.92 2zml s ASN 128 Ca 0.21 0.48 0.20 0.00 -1.57 0.00 0.00 52.86 52.17 2zml s ASN 128 Cb -0.18 -0.92 1.26 0.00 -0.02 0.00 0.00 41.25 41.40 2zml s ASN 128 CO 0.12 -1.98 2.03 0.71 -2.57 0.00 0.00 177.10 175.41 2zml h THR 129 N -0.99 0.85 -0.10 1.60 1.35 -2.00 -0.85 112.91 112.76 2zml h THR 129 Ca -0.44 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2zml h THR 129 Cb 1.30 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2zml h THR 129 CO 0.56 0.02 0.00 -2.67 -0.25 0.00 0.00 175.52 173.18 2zml n TRP 130 N -4.44 0.12 -3.95 4.73 2.14 -1.26 -4.95 117.44 109.82 2zml n TRP 130 Ca 0.07 -0.06 -0.25 0.00 2.07 0.00 0.00 57.50 59.32 2zml n TRP 130 Cb 0.41 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 -1.77 6.32 0.64 -0.67 1.01 -0.32 -4.88 116.67 116.99 2zml s ASP 131 Ca 0.35 0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.75 2zml s ASP 131 Cb 0.19 -1.89 0.09 0.00 1.01 0.00 0.00 42.92 42.32 2zml s ASP 131 CO 0.30 0.03 0.61 -0.81 0.21 0.00 0.00 175.17 175.51 2zml n PRO 132 N -0.68 0.08 -1.63 8.23 -0.04 -1.26 -4.79 135.00 134.92 2zml n PRO 132 Ca -0.07 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.42 2zml n PRO 132 Cb 0.54 -0.44 0.01 0.00 -0.04 0.00 0.00 33.50 33.58 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 -2.15 1.44 -4.26 0.54 7.27 -1.26 -4.85 117.38 114.12 2zml n GLN 133 Ca 0.10 0.52 -0.23 0.00 0.07 0.00 0.00 57.00 57.45 2zml n GLN 133 Cb 0.35 -2.10 -0.07 0.00 2.41 0.00 0.00 30.24 30.83 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 -1.26 3.64 0.67 1.69 -5.25 -1.26 -4.31 121.20 115.12 2zml s ILE 134 Ca 0.63 -1.77 -0.11 0.00 -0.99 0.00 0.00 60.65 58.41 2zml s ILE 134 Cb -0.55 -2.94 -0.00 0.00 2.95 0.00 0.00 42.46 41.92 2zml s ILE 134 CO 0.57 -0.34 1.05 -2.84 -1.79 0.00 0.00 174.94 171.59 2zml s PRO 135 N -3.62 3.09 0.04 0.37 0.02 -1.26 -4.97 135.00 128.67 2zml s PRO 135 Ca 0.31 0.94 -0.18 0.00 0.02 0.00 0.00 61.00 62.09 2zml s PRO 135 Cb -0.07 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.47 2zml s PRO 135 CO 0.21 -0.98 0.40 -3.38 -0.33 0.00 0.00 177.00 172.92 2zml s HIS 136 N -3.02 -0.25 -0.01 6.54 -3.43 -0.70 -2.30 115.29 112.12 2zml s HIS 136 Ca 0.58 0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 54.94 2zml s HIS 136 Cb -0.14 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 2zml s HIS 136 CO 0.53 -0.56 0.33 0.42 -2.00 0.00 0.00 174.74 173.47 2zml s ILE 137 N -2.44 5.18 0.00 -5.38 1.01 0.14 -1.73 121.20 117.99 2zml s ILE 137 Ca -0.06 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2zml s ILE 137 Cb -0.01 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 2zml s ILE 137 CO -0.02 0.50 0.08 -0.83 0.00 0.00 0.00 174.94 174.67 2zml s GLY 138 N -1.30 0.09 -0.26 6.18 0.00 -0.55 -1.44 107.32 110.04 2zml s GLY 138 Ca 0.24 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2zml s GLY 138 CO 0.13 -0.35 0.09 -0.42 0.00 0.00 0.00 173.10 172.55 2zml s ILE 139 N -1.29 4.39 -0.14 0.90 1.01 -0.85 -0.74 121.20 124.48 2zml s ILE 139 Ca -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2zml s ILE 139 Cb -0.08 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2zml s ILE 139 CO 0.01 0.29 -0.10 -1.81 0.00 0.00 0.00 174.94 173.33 2zml s ASP 140 N 1.62 4.30 -0.27 3.58 1.01 0.71 -0.79 116.67 126.82 2zml s ASP 140 Ca 0.06 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.09 2zml s ASP 140 Cb -0.15 -1.67 0.07 0.00 1.01 0.00 0.00 42.92 42.18 2zml s ASP 140 CO 0.04 0.17 -0.05 -0.69 0.21 0.00 0.00 175.17 174.85 2zml s VAL 141 N 0.34 1.99 0.00 -1.27 1.01 -1.26 -0.76 120.40 120.45 2zml s VAL 141 Ca -0.08 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.20 2zml s VAL 141 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2zml s VAL 141 CO 0.05 -0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.53 2zml n ASN 142 N 4.46 -4.26 -3.62 3.32 3.02 0.80 -4.86 115.26 114.13 2zml n ASN 142 Ca -0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 2zml n ASN 142 Cb 0.42 -2.93 -0.04 0.00 -0.61 0.00 0.00 39.78 36.63 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 -1.73 -0.30 0.00 6.41 0.15 -1.26 -4.89 113.70 112.07 2zml s SER 143 Ca 0.00 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.62 2zml s SER 143 Cb 0.00 0.52 0.74 0.00 -1.71 0.00 0.00 66.02 65.57 2zml s SER 143 CO 0.00 -0.92 1.57 0.52 1.20 0.00 0.00 173.24 175.61 2zml n VAL 144 N -0.28 0.02 -3.08 4.45 0.31 -1.26 -4.60 118.33 113.89 2zml n VAL 144 Ca -0.15 -0.35 -0.45 0.00 -0.01 0.00 0.00 64.34 63.39 2zml n VAL 144 Cb 0.64 0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 34.38 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 -1.98 5.05 0.45 2.52 1.01 -1.26 -5.00 121.20 121.99 2zml s ILE 145 Ca 0.35 -1.86 -0.21 0.00 0.00 0.00 0.00 60.65 58.93 2zml s ILE 145 Cb 0.21 -4.65 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 2zml s ILE 145 CO 0.32 -1.32 0.47 -1.20 0.00 0.00 0.00 174.94 173.21 2zml n SER 146 N 5.62 -1.23 0.09 3.58 7.64 -1.26 -4.82 113.62 123.24 2zml n SER 146 Ca 0.18 0.85 -0.20 0.00 1.01 0.00 0.00 58.87 60.72 2zml n SER 146 Cb 0.48 -1.09 -0.15 0.00 -1.01 0.00 0.00 64.21 62.44 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 1.18 -3.94 0.44 1.35 -1.35 -3.46 112.91 107.74 2zml h THR 147 Ca -0.41 -2.75 -0.28 0.00 -0.55 0.00 0.00 66.41 62.41 2zml h THR 147 Cb 1.41 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 0.46 -0.02 4.72 2.47 -1.25 -5.02 119.74 118.49 2zml s LYS 148 Ca -0.10 -0.53 -0.04 0.00 -1.56 0.00 0.00 55.97 53.75 2zml s LYS 148 Cb 0.06 -0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 2zml s LYS 148 CO 0.88 0.06 0.09 0.99 0.16 0.00 0.00 175.35 177.53 2zml s THR 149 N -0.90 0.04 -0.07 3.43 2.01 -1.26 -2.01 115.64 116.88 2zml s THR 149 Ca -0.06 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 2zml s THR 149 Cb -0.07 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.22 2zml s THR 149 CO 0.00 -0.20 0.16 0.54 -0.69 0.00 0.00 174.62 174.43 2zml s VAL 150 N -0.64 -0.04 0.48 3.82 0.11 -0.52 -4.98 120.40 118.63 2zml s VAL 150 Ca -0.07 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 2zml s VAL 150 Cb -0.04 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.46 2zml s VAL 150 CO 0.00 0.07 1.01 -2.16 -3.33 0.00 0.00 175.10 170.69 2zml s PRO 151 N 1.11 3.89 0.08 1.54 0.04 -1.26 0.29 135.00 140.69 2zml s PRO 151 Ca -0.09 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 2zml s PRO 151 Cb -0.11 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2zml s PRO 151 CO -0.06 -0.33 0.30 -0.59 0.04 0.00 0.00 177.00 176.36 2zml s PHE 152 N -2.17 -0.07 -0.25 0.56 -0.12 -0.97 -4.85 117.98 110.10 2zml s PHE 152 Ca 0.64 -0.19 -0.08 0.00 -0.05 0.00 0.00 56.93 57.26 2zml s PHE 152 Cb -0.13 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2zml s PHE 152 CO 0.21 -0.57 0.09 0.99 -0.05 0.00 0.00 175.22 175.89 2zml s THR 153 N -3.24 4.51 0.50 -4.49 2.01 -1.26 -3.99 115.64 109.68 2zml s THR 153 Ca -0.00 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 2zml s THR 153 Cb 0.01 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 2zml s THR 153 CO -0.08 0.33 1.13 -0.22 -0.69 0.00 0.00 174.62 175.10 2zml s LEU 154 N 1.56 3.88 -0.76 4.42 2.96 -1.26 -4.98 118.68 124.50 2zml s LEU 154 Ca 0.06 2.21 -0.11 0.00 -0.22 0.00 0.00 54.13 56.07 2zml s LEU 154 Cb -0.15 -4.43 0.20 0.00 0.50 0.00 0.00 46.19 42.31 2zml s LEU 154 CO 0.05 -1.04 0.66 -0.62 -1.32 0.00 0.00 176.35 174.08 2zml s ASP 155 N -1.61 6.31 -0.41 3.68 2.15 -1.26 -5.01 116.67 120.52 2zml s ASP 155 Ca 0.68 -2.69 -0.42 0.00 0.43 0.00 0.00 52.55 50.55 2zml s ASP 155 Cb -0.25 -2.11 -0.17 0.00 -0.30 0.00 0.00 42.92 40.09 2zml s ASP 155 CO 0.30 -0.53 1.86 -3.20 -0.17 0.00 0.00 175.17 173.43 2zml n ASN 156 N 3.91 1.63 0.00 -0.34 2.85 -1.26 0.87 115.26 122.91 2zml n ASN 156 Ca 0.11 0.92 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 2zml n ASN 156 Cb 0.44 -1.03 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 5.27 0.51 3.95 8.20 0.00 0.16 -4.92 105.19 118.36 2zml n GLY 157 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 0.25 -4.85 107.32 102.40 2zml s GLY 158 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.30 2zml s GLY 158 CO 0.00 -0.63 0.24 -0.42 0.00 0.00 0.00 173.10 172.29 2zml s ILE 159 N -3.65 5.33 -0.05 0.90 1.01 -1.26 -4.23 121.20 119.25 2zml s ILE 159 Ca 0.71 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.83 2zml s ILE 159 Cb -0.05 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2zml s ILE 159 CO 0.50 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.81 2zml s ALA 160 N -1.07 1.85 -0.15 9.38 0.00 -0.36 -4.20 121.76 127.21 2zml s ALA 160 Ca 0.19 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 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 0.08 0.37 -0.04 -0.80 0.00 0.00 0.00 175.76 175.37 2zml s ASN 161 N -0.14 4.81 -0.04 0.00 0.01 0.11 -1.87 114.94 117.82 2zml s ASN 161 Ca -0.02 -0.11 0.05 0.00 -0.71 0.00 0.00 52.86 52.07 2zml s ASN 161 Cb -0.12 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.79 2zml s ASN 161 CO 0.02 0.19 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.91 2zml s VAL 162 N 0.26 1.65 -0.12 1.60 1.01 -0.18 -0.51 120.40 124.11 2zml s VAL 162 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2zml s VAL 162 Cb -0.14 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2zml s VAL 162 CO 0.03 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 2zml s VAL 163 N -0.18 1.31 -0.10 2.92 1.01 -0.69 -2.00 120.40 122.67 2zml s VAL 163 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2zml s VAL 163 Cb -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2zml s VAL 163 CO 0.02 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.68 2zml s ILE 164 N 1.38 1.90 -0.02 2.22 1.01 0.41 -0.69 121.20 127.41 2zml s ILE 164 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2zml s ILE 164 Cb -0.13 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2zml s ILE 164 CO -0.06 0.52 -0.09 -0.75 0.00 0.00 0.00 174.94 174.55 2zml s LYS 165 N 0.52 0.87 -0.12 2.79 2.20 -0.45 -0.36 119.74 125.19 2zml s LYS 165 Ca -0.15 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2zml s LYS 165 Cb -0.17 -0.82 0.02 0.00 -1.51 0.00 0.00 37.83 35.34 2zml s LYS 165 CO 0.05 0.17 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.61 2zml s TYR 166 N -0.05 1.90 -0.41 4.03 5.04 0.37 -1.49 117.35 126.74 2zml s TYR 166 Ca 0.01 -0.96 -0.14 0.00 -2.44 0.00 0.00 57.07 53.54 2zml s TYR 166 Cb -0.06 -1.42 0.03 0.00 0.35 0.00 0.00 41.96 40.87 2zml s TYR 166 CO -0.00 -0.54 0.30 0.34 -1.34 0.00 0.00 175.55 174.31 2zml s ASP 167 N 1.28 6.02 0.26 4.32 2.15 -0.62 -2.22 116.67 127.85 2zml s ASP 167 Ca -0.01 -1.03 -0.04 0.00 0.43 0.00 0.00 52.55 51.90 2zml s ASP 167 Cb -0.14 -2.13 0.32 0.00 -0.30 0.00 0.00 42.92 40.68 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 8.60 1.28 -0.34 3.66 0.00 -1.87 0.88 119.26 131.46 2zml h ALA 168 Ca -0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2zml h ALA 168 Cb 1.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2zml h ALA 168 CO 0.75 0.61 -0.12 0.66 0.00 0.00 0.00 179.25 181.14 2zml h SER 169 N 1.19 0.58 0.00 0.00 4.64 -1.93 -3.15 113.55 114.88 2zml h SER 169 Ca 0.31 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2zml h SER 169 Cb -0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2zml h SER 169 CO -0.06 0.74 -1.37 0.35 -0.87 0.00 0.00 176.83 175.62 2zml n THR 170 N -4.18 0.00 -1.93 2.95 -2.24 -1.11 -4.97 114.28 102.80 2zml n THR 170 Ca 0.01 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 2zml n THR 170 Cb 0.34 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.80 -1.14 -3.32 -0.78 5.02 0.30 -4.94 118.16 111.52 2zml n LYS 171 Ca -0.00 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.77 2zml n LYS 171 Cb 0.39 -5.11 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 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 -2.67 5.17 -0.29 -0.18 1.01 -1.15 -1.25 121.20 121.85 2zml s ILE 172 Ca 0.00 0.90 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 2zml s ILE 172 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2zml s ILE 172 CO 0.00 0.28 0.07 -0.22 0.00 0.00 0.00 174.94 175.07 2zml s LEU 173 N 0.98 3.78 -0.07 2.97 2.96 0.53 -1.60 118.68 128.24 2zml s LEU 173 Ca 0.24 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2zml s LEU 173 Cb -0.15 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 2zml s LEU 173 CO 0.09 -0.18 -0.21 -1.38 -1.32 0.00 0.00 176.35 173.35 2zml s HIS 174 N 1.49 2.14 0.04 5.38 -3.43 -0.55 -1.26 115.29 119.11 2zml s HIS 174 Ca 0.03 -0.72 0.09 0.00 -0.80 0.00 0.00 55.06 53.65 2zml s HIS 174 Cb -0.17 -1.44 -0.03 0.00 -1.43 0.00 0.00 32.58 29.52 2zml s HIS 174 CO 0.02 -0.27 -0.25 0.14 -2.00 0.00 0.00 174.74 172.39 2zml s VAL 175 N 0.13 2.01 -0.04 -5.38 -7.23 0.03 -1.34 120.40 108.58 2zml s VAL 175 Ca -0.09 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2zml s VAL 175 Cb -0.15 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2zml s VAL 175 CO 0.05 0.33 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.29 2zml s VAL 176 N -0.79 1.57 -0.12 1.32 1.01 0.14 -1.86 120.40 121.66 2zml s VAL 176 Ca 0.11 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2zml s VAL 176 Cb -0.10 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2zml s VAL 176 CO 0.02 0.45 -0.17 -0.22 0.00 0.00 0.00 175.10 175.17 2zml s LEU 177 N -0.09 1.85 -0.04 3.92 2.96 0.41 -1.70 118.68 125.99 2zml s LEU 177 Ca -0.02 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2zml s LEU 177 Cb -0.11 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2zml s LEU 177 CO 0.02 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.27 2zml s VAL 178 N 1.00 1.00 -0.61 1.68 1.01 0.33 -0.57 120.40 124.24 2zml s VAL 178 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2zml s VAL 178 Cb -0.15 -0.89 0.16 0.00 0.00 0.00 0.00 36.38 35.50 2zml s VAL 178 CO -0.03 0.31 0.43 -0.36 0.00 0.00 0.00 175.10 175.44 2zml s PHE 179 N 0.31 3.45 0.47 5.22 0.08 -0.96 0.06 117.98 126.60 2zml s PHE 179 Ca -0.06 -2.62 0.25 0.00 0.12 0.00 0.00 56.93 54.61 2zml s PHE 179 Cb -0.11 -3.24 1.28 0.00 -0.57 0.00 0.00 43.02 40.38 2zml s PHE 179 CO 0.02 -0.87 1.84 -1.00 -0.10 0.00 0.00 175.22 175.11 2zml h PRO 180 N 7.22 0.21 0.00 0.24 0.13 -1.86 0.13 132.00 138.08 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 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2zml h PRO 180 CO 0.72 0.14 -0.36 0.77 -0.23 0.00 0.00 178.00 179.03 2zml h SER 181 N 0.22 0.00 0.00 1.44 0.02 -1.94 -3.19 113.55 110.10 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 1.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2zml h SER 181 CO -0.13 0.36 -1.53 0.18 -1.14 0.00 0.00 176.83 174.57 2zml n LEU 182 N -3.66 0.22 -0.18 5.07 4.77 -0.52 -4.99 117.00 117.70 2zml n LEU 182 Ca -0.01 -0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 2zml n LEU 182 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2zml n LEU 182 CO 0.37 0.06 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 2zml n GLY 183 N 1.47 0.56 3.81 -0.72 0.00 0.34 -5.01 105.19 105.64 2zml n GLY 183 Ca -0.01 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.96 4.56 -0.07 2.61 -4.23 -1.21 -4.95 115.64 110.40 2zml s THR 184 Ca 0.00 1.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 2zml s THR 184 Cb 0.00 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.94 2zml s THR 184 CO 0.00 0.33 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.67 2zml s ILE 185 N -1.38 1.09 -0.02 2.99 1.01 -1.26 -2.27 121.20 121.36 2zml s ILE 185 Ca 0.39 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.67 2zml s ILE 185 Cb -0.18 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2zml s ILE 185 CO 0.22 0.35 -0.21 -0.31 0.00 0.00 0.00 174.94 174.99 2zml s TYR 186 N 0.80 1.88 0.03 3.97 2.02 0.26 -4.99 117.35 121.33 2zml s TYR 186 Ca -0.12 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2zml s TYR 186 Cb -0.15 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2zml s TYR 186 CO 0.02 -0.05 -0.07 -0.08 -1.57 0.00 0.00 175.55 173.80 2zml s THR 187 N -0.44 0.51 -0.14 -0.71 -1.32 -1.26 -0.45 115.64 111.83 2zml s THR 187 Ca 0.07 -0.83 -0.21 0.00 -1.21 0.00 0.00 61.69 59.52 2zml s THR 187 Cb -0.08 -0.54 0.05 0.00 -1.51 0.00 0.00 72.50 70.42 2zml s THR 187 CO -0.00 -0.23 0.53 -0.51 -2.21 0.00 0.00 174.62 172.20 2zml s ILE 188 N -1.00 0.01 0.07 5.08 2.07 -0.78 -4.98 121.20 121.67 2zml s ILE 188 Ca -0.06 -0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 58.99 2zml s ILE 188 Cb -0.08 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.74 2zml s ILE 188 CO 0.00 -0.04 0.23 0.00 -1.91 0.00 0.00 174.94 173.22 2zml s ALA 189 N -0.28 -0.41 0.16 1.50 0.00 -1.26 -0.79 121.76 120.68 2zml s ALA 189 Ca -0.05 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.32 2zml s ALA 189 Cb -0.03 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.56 2zml s ALA 189 CO 0.03 -0.46 0.79 0.34 0.00 0.00 0.00 175.76 176.46 2zml s ASP 190 N -2.48 -0.33 -0.22 0.00 2.15 -0.39 -4.99 116.67 110.41 2zml s ASP 190 Ca 0.00 -0.30 -0.14 0.00 0.43 0.00 0.00 52.55 52.55 2zml s ASP 190 Cb 0.02 0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 2zml s ASP 190 CO -0.08 -1.00 0.30 -0.63 -0.17 0.00 0.00 175.17 173.60 2zml s ILE 191 N -3.56 5.26 -0.04 4.11 1.01 -1.26 -0.34 121.20 126.38 2zml s ILE 191 Ca 0.08 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.23 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 0.28 -0.04 -0.69 0.00 0.00 0.00 174.94 174.48 2zml s VAL 192 N 1.26 0.46 -0.71 2.92 1.01 -0.38 -4.97 120.40 119.99 2zml s VAL 192 Ca 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 2zml s VAL 192 Cb -0.14 -0.50 0.19 0.00 0.00 0.00 0.00 36.38 35.92 2zml s VAL 192 CO 0.07 0.21 0.65 -0.62 0.00 0.00 0.00 175.10 175.40 2zml s ASP 193 N 0.92 6.43 0.20 3.32 -1.08 -1.26 -4.71 116.67 120.48 2zml s ASP 193 Ca -0.11 -2.42 -0.11 0.00 -0.52 0.00 0.00 52.55 49.39 2zml s ASP 193 Cb -0.14 -2.17 0.23 0.00 -1.46 0.00 0.00 42.92 39.38 2zml s ASP 193 CO -0.00 -0.64 1.73 -0.07 0.52 0.00 0.00 175.17 176.71 2zml h LEU 194 N 8.05 0.10 -2.00 -1.34 3.38 -1.96 -1.16 115.31 120.39 2zml h LEU 194 Ca -0.03 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.22 2zml h LEU 194 Cb 1.05 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2zml h LEU 194 CO 0.83 0.07 0.50 0.50 0.09 0.00 0.00 178.44 180.43 2zml h LYS 195 N 0.31 0.00 0.00 1.13 3.64 -1.92 0.42 116.57 120.15 2zml h LYS 195 Ca 0.28 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2zml h LYS 195 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2zml h LYS 195 CO -0.32 0.00 -0.83 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 -1.63 -3.40 115.11 117.73 2zml h GLN 196 Ca 0.31 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.65 2zml h GLN 196 Cb 1.31 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 2zml h GLN 196 CO -0.00 0.29 -1.69 1.33 -2.65 0.00 0.00 178.83 176.10 2zml n VAL 197 N -3.01 0.63 -4.36 2.39 0.24 -0.43 -5.05 118.33 108.73 2zml n VAL 197 Ca -0.02 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.34 61.62 2zml n VAL 197 Cb 0.72 -0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 32.39 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 -4.65 2.89 0.80 1.34 1.43 0.01 -4.71 118.68 115.79 2zml s LEU 198 Ca -0.05 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 2zml s LEU 198 Cb 0.04 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.87 2zml s LEU 198 CO 0.43 0.04 1.13 -2.16 0.23 0.00 0.00 176.35 176.02 2zml s PRO 199 N -3.41 2.10 0.32 1.29 0.04 -1.26 -4.66 135.00 129.41 2zml s PRO 199 Ca 0.29 0.36 0.04 0.00 0.04 0.00 0.00 61.00 61.74 2zml s PRO 199 Cb -0.06 -1.94 0.65 0.00 0.04 0.00 0.00 34.50 33.19 2zml s PRO 199 CO 0.17 -1.55 1.88 0.93 0.04 0.00 0.00 177.00 178.46 2zml h GLU 200 N -1.03 0.85 -6.00 4.56 5.08 -1.96 -3.41 114.58 112.67 2zml h GLU 200 Ca -0.47 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.16 2zml h GLU 200 Cb 1.29 -0.19 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 2zml h GLU 200 CO 0.63 0.57 -0.74 -1.12 -1.00 0.00 0.00 179.01 177.35 2zml s SER 201 N -5.85 4.26 0.28 1.42 0.01 -1.26 -1.15 113.70 111.41 2zml s SER 201 Ca -0.11 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.00 2zml s SER 201 Cb 0.21 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 2zml s SER 201 CO 0.80 0.30 0.26 0.68 0.41 0.00 0.00 173.24 175.69 2zml s VAL 202 N -0.47 0.00 0.07 3.43 -7.23 0.16 -4.14 120.40 112.22 2zml s VAL 202 Ca 0.06 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 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 -0.16 0.20 -0.31 0.00 0.00 175.10 174.85 2zml s ASN 203 N -3.26 3.98 0.09 4.85 0.02 0.24 -0.36 114.94 120.51 2zml s ASN 203 Ca 0.38 -0.43 0.10 0.00 -1.02 0.00 0.00 52.86 51.88 2zml s ASN 203 Cb 0.03 -0.67 -0.03 0.00 0.02 0.00 0.00 41.25 40.60 2zml s ASN 203 CO 0.20 0.23 -0.25 0.68 0.02 0.00 0.00 177.10 177.97 2zml s VAL 204 N -1.03 2.07 -1.37 1.60 -7.23 -1.26 -1.87 120.40 111.31 2zml s VAL 204 Ca 0.17 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2zml s VAL 204 Cb -0.11 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2zml s VAL 204 CO 0.08 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2zml n GLY 205 N 1.26 -0.88 3.37 2.32 0.00 -0.80 -1.36 105.19 109.10 2zml n GLY 205 Ca -0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 1.86 -0.16 1.61 0.40 -0.04 -0.82 117.98 117.84 2zml s PHE 206 Ca 0.00 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 2zml s PHE 206 Cb 0.00 -0.87 0.05 0.00 0.51 0.00 0.00 43.02 42.71 2zml s PHE 206 CO 0.00 0.43 0.50 0.45 0.70 0.00 0.00 175.22 177.30 2zml s SER 207 N -3.19 -0.50 0.17 1.36 0.15 -0.83 -0.74 113.70 110.12 2zml s SER 207 Ca 0.22 0.88 -0.09 0.00 0.70 0.00 0.00 55.95 57.67 2zml s SER 207 Cb -0.03 0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 65.18 2zml s SER 207 CO 0.08 -0.24 0.29 0.00 1.20 0.00 0.00 173.24 174.57 2zml s ALA 208 N -0.04 0.04 -0.04 5.45 0.00 -0.41 -0.15 121.76 126.61 2zml s ALA 208 Ca -0.03 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.76 2zml s ALA 208 Cb -0.03 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.04 2zml s ALA 208 CO 0.02 -0.66 0.55 0.00 0.00 0.00 0.00 175.76 175.68 2zml s ALA 209 N -3.98 -1.43 0.55 0.00 0.00 -1.07 -2.04 121.76 113.79 2zml s ALA 209 Ca 0.19 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.20 2zml s ALA 209 Cb 0.03 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.21 2zml s ALA 209 CO 0.01 -0.33 0.50 0.95 0.00 0.00 0.00 175.76 176.89 2zml s THR 210 N -1.21 1.77 0.11 0.00 -4.23 0.61 0.54 115.64 113.23 2zml s THR 210 Ca -0.12 -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 1.01 0.61 -0.54 0.00 0.00 174.62 175.78 2zml n GLY 211 N -1.88 -0.41 3.76 3.99 0.00 0.14 -3.97 105.19 106.82 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 -0.17 7.54 0.31 1.61 2.15 -1.26 0.11 116.67 126.95 2zml s ASP 212 Ca 0.79 1.82 0.06 0.00 0.43 0.00 0.00 52.55 55.65 2zml s ASP 212 Cb -1.03 -2.57 0.74 0.00 -0.30 0.00 0.00 42.92 39.77 2zml s ASP 212 CO 0.54 0.16 1.78 -0.65 -0.17 0.00 0.00 175.17 176.83 2zml h PRO 213 N 4.35 0.74 0.00 4.34 0.11 -1.94 -1.17 132.00 138.44 2zml h PRO 213 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2zml h PRO 213 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2zml h PRO 213 CO 0.68 0.49 0.31 0.66 -0.21 0.00 0.00 178.00 179.93 2zml h SER 214 N 0.77 0.00 1.19 -2.05 4.64 -2.00 0.69 113.55 116.79 2zml h SER 214 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2zml h SER 214 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2zml h SER 214 CO -0.37 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.04 2zml n GLY 215 N -1.22 -1.58 2.42 -0.77 0.00 -0.44 -4.94 105.19 98.66 2zml n GLY 215 Ca -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 -1.72 -3.86 1.61 5.02 0.24 -4.96 118.16 112.46 2zml n LYS 216 Ca 0.05 0.99 -0.30 0.00 -2.02 0.00 0.00 58.31 57.04 2zml n LYS 216 Cb 0.41 -5.63 -0.15 0.00 -0.02 0.00 0.00 35.03 29.64 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 -4.93 1.19 0.48 1.97 -1.52 -1.26 -4.97 119.66 110.61 2zml s GLN 217 Ca 0.00 -1.09 0.31 0.00 -1.95 0.00 0.00 55.36 52.63 2zml s GLN 217 Cb 0.00 -2.45 1.27 0.00 -0.22 0.00 0.00 33.01 31.62 2zml s GLN 217 CO 0.00 -0.78 1.92 0.00 -0.25 0.00 0.00 175.29 176.18 2zml h ARG 218 N 7.98 0.00 0.00 2.91 3.08 -1.96 -2.32 114.38 124.06 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 0.44 0.00 -0.03 0.09 -1.07 0.00 0.00 179.97 179.40 2zml n ASN 219 N -2.87 0.16 -4.12 7.04 4.13 -1.26 -4.34 115.26 114.00 2zml n ASN 219 Ca 0.01 0.48 -0.40 0.00 1.68 0.00 0.00 54.58 56.35 2zml n ASN 219 Cb 0.29 -0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 37.99 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 -1.55 3.73 -3.79 5.41 0.00 -0.88 -4.55 120.51 118.88 2zml n ALA 220 Ca 0.07 -3.57 -0.07 0.00 0.00 0.00 0.00 53.44 49.86 2zml n ALA 220 Cb 0.36 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.21 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 5.47 0.00 0.00 0.00 -1.32 -1.26 0.27 115.64 118.81 2zml s THR 221 Ca 0.56 -1.04 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 2zml s THR 221 Cb 0.08 -2.07 0.11 0.00 -1.51 0.00 0.00 72.50 69.11 2zml s THR 221 CO 0.05 0.00 1.25 -1.83 -2.21 0.00 0.00 174.62 171.88 2zml s GLU 222 N -3.83 0.49 0.40 7.08 -1.05 -1.24 -4.20 118.70 116.35 2zml s GLU 222 Ca 0.12 -0.28 -0.03 0.00 -0.15 0.00 0.00 54.97 54.63 2zml s GLU 222 Cb -0.05 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 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 -2.46 4.99 -0.41 1.83 -4.23 -1.11 -4.83 115.64 109.43 2zml s THR 223 Ca 0.16 -0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2zml s THR 223 Cb 0.04 -3.84 0.18 0.00 1.34 0.00 0.00 72.50 70.22 2zml s THR 223 CO -0.03 -0.66 0.37 1.41 -0.54 0.00 0.00 174.62 175.18 2zml n HIS 224 N -1.86 -0.88 -3.73 3.99 -0.00 -1.26 -4.00 115.22 107.48 2zml n HIS 224 Ca -0.02 -3.33 -0.36 0.00 -0.00 0.00 0.00 57.72 54.01 2zml n HIS 224 Cb 0.55 0.18 -0.07 0.00 -0.00 0.00 0.00 29.99 30.65 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 -0.13 6.36 -0.24 0.41 1.01 -0.85 -1.81 116.67 121.41 2zml s ASP 225 Ca 0.33 0.42 -0.07 0.00 0.71 0.00 0.00 52.55 53.94 2zml s ASP 225 Cb 0.06 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 2zml s ASP 225 CO -0.18 0.26 0.07 -0.63 0.21 0.00 0.00 175.17 174.90 2zml s ILE 226 N -0.25 4.38 -0.05 0.77 -1.09 0.50 -1.00 121.20 124.46 2zml s ILE 226 Ca 0.13 -0.15 0.13 0.00 -2.23 0.00 0.00 60.65 58.53 2zml s ILE 226 Cb -0.12 -3.04 -0.22 0.00 -1.58 0.00 0.00 42.46 37.49 2zml s ILE 226 CO 0.02 0.35 0.67 0.18 -1.23 0.00 0.00 174.94 174.93 2zml n LEU 227 N 4.80 0.85 -3.65 2.97 4.32 0.41 -1.18 117.00 125.52 2zml n LEU 227 Ca -0.16 0.40 -0.06 0.00 -0.02 0.00 0.00 56.01 56.17 2zml n LEU 227 Cb 0.52 0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.47 2zml n LEU 227 CO 0.31 0.37 0.64 -0.94 -1.22 0.00 0.00 177.39 176.55 2zml s SER 228 N -6.05 -0.29 -0.29 -1.43 1.04 -1.24 -4.55 113.70 100.90 2zml s SER 228 Ca -0.05 -0.26 -0.16 0.00 0.48 0.00 0.00 55.95 55.96 2zml s SER 228 Cb 0.08 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.83 2zml s SER 228 CO 0.82 -0.88 0.91 0.86 0.98 0.00 0.00 173.24 175.94 2zml s TRP 229 N -3.37 -0.68 0.04 5.02 -0.00 -0.30 -2.79 118.94 116.86 2zml s TRP 229 Ca 0.09 1.36 0.06 0.00 -0.00 0.00 0.00 56.10 57.61 2zml s TRP 229 Cb -0.02 0.41 -0.02 0.00 -0.00 0.00 0.00 33.47 33.84 2zml s TRP 229 CO -0.02 -0.34 -0.18 -1.54 -0.00 0.00 0.00 176.95 174.87 2zml s SER 230 N 1.45 2.13 0.03 5.86 1.04 0.41 -0.00 113.70 124.61 2zml s SER 230 Ca -0.09 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2zml s SER 230 Cb -0.04 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2zml s SER 230 CO -0.16 0.11 -0.05 0.12 0.98 0.00 0.00 173.24 174.24 2zml s PHE 231 N -0.79 0.45 -0.22 5.02 5.36 -0.34 -1.61 117.98 125.85 2zml s PHE 231 Ca 0.05 -0.50 -0.12 0.00 -0.96 0.00 0.00 56.93 55.40 2zml s PHE 231 Cb -0.08 -0.29 0.07 0.00 -0.34 0.00 0.00 43.02 42.38 2zml s PHE 231 CO 0.01 -0.14 0.53 0.45 -1.46 0.00 0.00 175.22 174.62 2zml s SER 232 N -1.48 -0.70 0.03 6.13 0.15 -0.32 -1.91 113.70 115.60 2zml s SER 232 Ca -0.13 1.17 0.04 0.00 0.70 0.00 0.00 55.95 57.73 2zml s SER 232 Cb -0.10 1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 65.29 2zml s SER 232 CO -0.00 -0.21 -0.12 0.00 1.20 0.00 0.00 173.24 174.10 2zml s ALA 233 N 1.62 1.00 -0.25 5.45 0.00 0.17 -0.33 121.76 129.42 2zml s ALA 233 Ca -0.09 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2zml s ALA 233 Cb -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.99 2zml s ALA 233 CO -0.16 0.17 0.07 0.45 0.00 0.00 0.00 175.76 176.30 2zml s SER 234 N -1.10 3.36 -0.37 0.00 0.15 0.96 -1.08 113.70 115.62 2zml s SER 234 Ca -0.00 -1.16 -0.14 0.00 0.70 0.00 0.00 55.95 55.35 2zml s SER 234 Cb -0.08 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2zml s SER 234 CO 0.01 -0.37 0.30 -0.22 1.20 0.00 0.00 173.24 174.17 2zml s LEU 235 N 1.83 4.73 0.24 3.45 0.20 -1.23 -2.41 118.68 125.49 2zml s LEU 235 Ca 0.04 -0.56 -0.06 0.00 0.69 0.00 0.00 54.13 54.24 2zml s LEU 235 Cb -0.17 -2.21 0.24 0.00 -0.43 0.00 0.00 46.19 43.62 2zml s LEU 235 CO -0.19 -0.36 1.84 -0.65 -0.29 0.00 0.00 176.35 176.70 2zml h PRO 236 N 8.56 1.19 0.00 0.98 0.11 -1.92 0.01 132.00 140.93 2zml h PRO 236 Ca -0.29 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2zml h PRO 236 Cb 1.14 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2zml h PRO 236 CO 0.69 0.90 0.00 0.41 -0.21 0.00 0.00 178.00 179.79