#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k28 s ASN 7 N 0.00 -0.07 0.94 1.20 3.04 -1.26 -5.07 114.94 113.72 1k28 s ASN 7 Ca 0.00 -0.96 -0.12 0.00 0.04 0.00 0.00 52.86 51.82 1k28 s ASN 7 Cb 0.00 0.80 0.07 0.00 -1.54 0.00 0.00 41.25 40.58 1k28 s ASN 7 CO 0.00 -1.55 0.63 0.18 -3.04 0.00 0.00 177.10 173.32 1k28 n LEU 8 N -0.52 0.84 -3.15 3.21 4.77 -1.26 -4.52 117.00 116.38 1k28 n LEU 8 Ca -0.07 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.31 1k28 n LEU 8 Cb 0.60 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 1k28 n LEU 8 CO 0.23 -3.18 0.46 0.21 -1.33 0.00 0.00 177.39 173.78 1k28 s ASN 9 N -2.21 -0.68 0.66 -1.43 3.04 -1.24 -4.94 114.94 108.14 1k28 s ASN 9 Ca 0.60 0.24 -0.11 0.00 0.04 0.00 0.00 52.86 53.63 1k28 s ASN 9 Cb -0.22 1.50 -0.02 0.00 -1.54 0.00 0.00 41.25 40.98 1k28 s ASN 9 CO 0.65 -0.13 1.05 -1.66 -3.04 0.00 0.00 177.10 173.97 1k28 s TRP 10 N 2.93 3.41 0.15 0.43 1.48 -1.26 -0.15 118.94 125.93 1k28 s TRP 10 Ca 0.13 1.30 -0.22 0.00 -1.06 0.00 0.00 56.10 56.25 1k28 s TRP 10 Cb -0.08 -2.82 0.06 0.00 -1.16 0.00 0.00 33.47 29.47 1k28 s TRP 10 CO -0.18 -0.95 0.56 -0.59 -4.06 0.00 0.00 176.95 171.72 1k28 s PHE 11 N -3.16 -0.47 0.09 1.66 -0.12 0.71 -4.87 117.98 111.82 1k28 s PHE 11 Ca 0.56 0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.78 1k28 s PHE 11 Cb -0.12 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1k28 s PHE 11 CO 0.54 -0.81 -0.20 0.14 -0.05 0.00 0.00 175.22 174.84 1k28 s VAL 12 N -3.69 1.66 0.00 -2.49 -7.23 -1.26 -1.61 120.40 105.79 1k28 s VAL 12 Ca 0.01 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1k28 s VAL 12 Cb -0.00 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1k28 s VAL 12 CO -0.12 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1k28 n GLY 13 N 1.17 2.39 2.86 2.32 0.00 -0.39 -1.41 105.19 112.14 1k28 n GLY 13 Ca -0.19 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1k28 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k28 s VAL 14 N -2.86 0.10 -0.25 1.61 1.01 -0.56 -1.26 120.40 118.20 1k28 s VAL 14 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1k28 s VAL 14 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1k28 s VAL 14 CO 0.00 0.06 0.93 -0.69 0.00 0.00 0.00 175.10 175.40 1k28 s VAL 15 N 0.32 4.75 -0.11 2.92 1.01 -0.42 -0.69 120.40 128.18 1k28 s VAL 15 Ca -0.03 1.74 0.11 0.00 0.00 0.00 0.00 61.98 63.80 1k28 s VAL 15 Cb -0.05 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 1k28 s VAL 15 CO -0.01 -0.15 0.29 -0.62 0.00 0.00 0.00 175.10 174.61 1k28 n GLU 16 N 6.20 0.94 -3.74 2.72 1.02 0.10 0.90 120.64 128.77 1k28 n GLU 16 Ca 0.08 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1k28 n GLU 16 Cb 0.47 -1.22 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 1k28 n GLU 16 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1k28 s ASP 17 N -3.04 0.02 0.00 1.62 3.68 -1.23 -4.78 116.67 112.94 1k28 s ASP 17 Ca -0.02 0.25 0.00 0.00 2.13 0.00 0.00 52.55 54.91 1k28 s ASP 17 Cb 0.07 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.69 1k28 s ASP 17 CO 0.46 -0.16 0.33 -2.11 0.13 0.00 0.00 175.17 173.82 1k28 n ARG 18 N 4.33 1.41 -1.39 4.34 1.85 -1.26 0.03 116.66 125.98 1k28 n ARG 18 Ca -0.24 -0.33 -0.39 0.00 -1.00 0.00 0.00 57.85 55.89 1k28 n ARG 18 Cb 0.51 -0.82 -0.02 0.00 -1.05 0.00 0.00 32.46 31.08 1k28 n ARG 18 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1k28 n MET 19 N -0.29 3.20 -1.68 2.89 2.81 -1.26 -4.87 117.12 117.92 1k28 n MET 19 Ca 0.00 -2.25 -0.45 0.00 -1.81 0.00 0.00 57.70 53.19 1k28 n MET 19 Cb 0.01 -2.93 -0.04 0.00 -0.71 0.00 0.00 33.22 29.55 1k28 n MET 19 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k28 n ASP 20 N 4.60 3.50 0.16 7.83 4.64 -1.26 -4.89 116.55 131.13 1k28 n ASP 20 Ca 0.66 1.04 0.01 0.00 -1.38 0.00 0.00 54.79 55.13 1k28 n ASP 20 Cb 0.28 -1.47 0.23 0.00 -1.04 0.00 0.00 41.12 39.12 1k28 n ASP 20 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1k28 h PRO 21 N 7.11 0.00 0.00 -0.67 0.11 -1.94 -3.12 132.00 133.49 1k28 h PRO 21 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1k28 h PRO 21 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k28 h PRO 21 CO 0.92 0.52 -0.15 -0.07 -0.21 0.00 0.00 178.00 179.02 1k28 h LEU 22 N 0.00 0.00 -1.16 2.35 3.38 -2.00 -3.47 115.31 114.41 1k28 h LEU 22 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1k28 h LEU 22 Cb 1.03 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.89 1k28 h LEU 22 CO 0.07 0.15 -0.50 0.29 0.09 0.00 0.00 178.44 178.54 1k28 n LYS 23 N -3.14 -5.34 -0.22 1.13 5.02 -1.18 -4.93 118.16 109.50 1k28 n LYS 23 Ca 0.03 0.59 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 1k28 n LYS 23 Cb 0.59 -4.88 0.19 0.00 -0.02 0.00 0.00 35.03 30.91 1k28 n LYS 23 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1k28 n LEU 24 N -3.54 3.16 0.00 -0.35 4.32 -1.26 -4.96 117.00 114.37 1k28 n LEU 24 Ca -0.06 -1.92 0.00 0.00 -0.02 0.00 0.00 56.01 54.01 1k28 n LEU 24 Cb 0.57 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 1k28 n LEU 24 CO 0.45 0.78 0.00 0.61 -1.22 0.00 0.00 177.39 178.01 1k28 n GLY 25 N 0.85 0.66 3.76 -0.72 0.00 -1.26 -4.69 105.19 103.79 1k28 n GLY 25 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1k28 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k28 s ARG 26 N -0.17 2.90 0.04 1.61 0.52 -1.26 -4.44 118.95 118.16 1k28 s ARG 26 Ca 0.00 1.64 0.01 0.00 -0.52 0.00 0.00 55.73 56.86 1k28 s ARG 26 Cb 0.00 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1k28 s ARG 26 CO 0.00 -1.22 -0.05 0.14 0.02 0.00 0.00 175.30 174.19 1k28 s VAL 27 N -1.90 0.34 -0.24 3.52 -7.23 -0.72 -4.30 120.40 109.88 1k28 s VAL 27 Ca 0.73 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 1k28 s VAL 27 Cb -0.26 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1k28 s VAL 27 CO 0.35 -0.61 0.48 -0.13 -0.31 0.00 0.00 175.10 174.88 1k28 s ARG 28 N -2.28 4.10 -0.11 4.82 0.52 0.11 -0.64 118.95 125.46 1k28 s ARG 28 Ca -0.06 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 1k28 s ARG 28 Cb -0.05 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1k28 s ARG 28 CO -0.03 -0.26 -0.19 0.08 0.02 0.00 0.00 175.30 174.92 1k28 s VAL 29 N 2.00 2.49 -0.41 3.52 1.01 -1.24 -0.72 120.40 127.05 1k28 s VAL 29 Ca 0.20 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1k28 s VAL 29 Cb -0.15 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1k28 s VAL 29 CO 0.09 0.55 0.49 -0.60 0.00 0.00 0.00 175.10 175.63 1k28 s ARG 30 N 0.32 3.26 -0.03 2.72 3.52 0.14 -4.72 118.95 124.16 1k28 s ARG 30 Ca -0.15 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 1k28 s ARG 30 Cb -0.17 -3.93 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 1k28 s ARG 30 CO 0.07 -0.83 1.07 0.08 -0.81 0.00 0.00 175.30 174.88 1k28 s VAL 31 N 2.33 4.57 0.14 7.11 1.01 -1.26 -1.49 120.40 132.82 1k28 s VAL 31 Ca 0.16 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.68 1k28 s VAL 31 Cb -0.16 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1k28 s VAL 31 CO 0.15 0.07 1.51 -0.69 0.00 0.00 0.00 175.10 176.14 1k28 s VAL 32 N 1.56 2.87 0.00 2.92 1.01 -0.50 -1.85 120.40 126.41 1k28 s VAL 32 Ca 0.53 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1k28 s VAL 32 Cb -0.22 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1k28 s VAL 32 CO 0.24 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1k28 n GLY 33 N 3.68 2.16 0.55 4.51 0.00 -1.26 -4.69 105.19 110.15 1k28 n GLY 33 Ca 0.13 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1k28 n GLY 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1k28 n LEU 34 N 0.00 1.82 -4.37 0.99 -0.00 -1.23 -4.84 117.00 109.38 1k28 n LEU 34 Ca 0.00 -0.60 -0.33 0.00 -0.00 0.00 0.00 56.01 55.08 1k28 n LEU 34 Cb 0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.25 1k28 n LEU 34 CO 0.00 0.31 -0.47 -1.00 -0.00 0.00 0.00 177.39 176.23 1k28 s HIS 35 N -2.14 2.73 0.46 1.47 3.76 -0.77 -5.01 115.29 115.80 1k28 s HIS 35 Ca 0.31 -0.59 -0.20 0.00 -0.15 0.00 0.00 55.06 54.42 1k28 s HIS 35 Cb 0.20 -1.77 -0.09 0.00 1.11 0.00 0.00 32.58 32.03 1k28 s HIS 35 CO 0.38 -0.15 1.00 -1.25 -0.85 0.00 0.00 174.74 173.87 1k28 s PRO 36 N 0.09 3.98 0.40 8.40 0.04 -1.26 -4.79 135.00 141.86 1k28 s PRO 36 Ca -0.07 1.25 0.21 0.00 0.04 0.00 0.00 61.00 62.43 1k28 s PRO 36 Cb -0.15 -2.13 0.72 0.00 0.04 0.00 0.00 34.50 32.98 1k28 s PRO 36 CO 0.05 -0.26 1.74 -1.00 0.04 0.00 0.00 177.00 177.57 1k28 h PRO 37 N 1.68 0.00 -6.32 0.56 0.13 -1.97 -3.43 132.00 122.65 1k28 h PRO 37 Ca -0.49 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.10 1k28 h PRO 37 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1k28 h PRO 37 CO 0.60 0.31 1.18 -0.65 -0.23 0.00 0.00 178.00 179.21 1k28 s GLN 38 N -3.55 4.16 0.13 0.86 1.11 -1.26 0.11 119.66 121.22 1k28 s GLN 38 Ca 0.01 2.45 -0.06 0.00 0.01 0.00 0.00 55.36 57.77 1k28 s GLN 38 Cb 0.10 -4.10 -0.09 0.00 -1.01 0.00 0.00 33.01 27.92 1k28 s GLN 38 CO 0.67 -0.91 1.32 0.00 0.01 0.00 0.00 175.29 176.37 1k28 h ARG 39 N 10.20 0.50 -6.21 2.91 3.08 -1.81 -0.97 114.38 122.08 1k28 h ARG 39 Ca -0.46 -0.49 -0.56 0.00 0.07 0.00 0.00 59.98 58.54 1k28 h ARG 39 Cb 1.22 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1k28 h ARG 39 CO 0.95 1.13 0.70 0.00 -1.07 0.00 0.00 179.97 181.67 1k28 s ALA 40 N -3.41 3.53 -0.21 0.04 0.00 -1.26 -1.61 121.76 118.84 1k28 s ALA 40 Ca -0.07 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1k28 s ALA 40 Cb 0.09 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1k28 s ALA 40 CO 0.87 -0.82 2.20 0.94 0.00 0.00 0.00 175.76 178.95 1k28 n GLN 41 N 5.59 1.97 -0.06 0.00 7.27 -1.26 -4.47 117.38 126.41 1k28 n GLN 41 Ca 0.11 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1k28 n GLN 41 Cb 0.47 -3.16 0.00 0.00 2.41 0.00 0.00 30.24 29.96 1k28 n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k28 n GLY 42 N 5.72 0.97 0.16 1.69 0.00 -0.33 -4.97 105.19 108.44 1k28 n GLY 42 Ca 0.30 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1k28 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k28 h ASP 43 N 0.00 0.78 0.00 1.61 5.19 -1.97 -3.42 116.42 118.60 1k28 h ASP 43 Ca 0.00 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.60 1k28 h ASP 43 Cb 0.00 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.27 1k28 h ASP 43 CO 0.00 1.51 -0.12 0.52 -3.12 0.00 0.00 179.24 178.02 1k28 n VAL 44 N -3.92 0.20 -3.92 -1.35 0.31 -1.26 -5.06 118.33 103.32 1k28 n VAL 44 Ca -0.13 0.43 -0.22 0.00 -0.01 0.00 0.00 64.34 64.41 1k28 n VAL 44 Cb 0.89 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.20 1k28 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k28 s MET 45 N -1.25 2.49 0.00 5.55 0.23 -1.26 -5.07 119.30 119.99 1k28 s MET 45 Ca -0.04 -1.50 0.00 0.00 -1.03 0.00 0.00 55.69 53.12 1k28 s MET 45 Cb 0.00 -2.28 0.00 0.00 -1.53 0.00 0.00 34.83 31.02 1k28 s MET 45 CO 0.05 0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.48 1k28 n GLY 46 N -1.30 3.26 2.68 3.16 0.00 -1.26 -1.18 105.19 110.55 1k28 n GLY 46 Ca -0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1k28 n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k28 s ILE 47 N 0.00 0.04 0.64 -0.61 1.01 -0.37 -4.22 121.20 117.70 1k28 s ILE 47 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 1k28 s ILE 47 Cb 0.00 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1k28 s ILE 47 CO 0.00 0.08 1.05 -2.16 0.00 0.00 0.00 174.94 173.91 1k28 s PRO 48 N 2.10 3.18 0.27 2.79 0.04 -0.63 -4.38 135.00 138.36 1k28 s PRO 48 Ca 0.04 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1k28 s PRO 48 Cb -0.13 -2.02 0.59 0.00 0.04 0.00 0.00 34.50 32.98 1k28 s PRO 48 CO -0.05 -0.91 1.75 1.15 0.04 0.00 0.00 177.00 178.98 1k28 h THR 49 N -0.13 0.68 0.00 1.26 2.02 -1.96 0.11 112.91 114.89 1k28 h THR 49 Ca -0.45 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1k28 h THR 49 Cb 1.21 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1k28 h THR 49 CO 0.57 0.11 0.00 -0.33 0.37 0.00 0.00 175.52 176.24 1k28 h GLU 50 N 0.60 0.00 0.00 6.66 3.07 -1.97 -2.36 114.58 120.59 1k28 h GLU 50 Ca 0.49 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.30 1k28 h GLU 50 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1k28 h GLU 50 CO -0.39 0.00 -1.03 0.87 -1.40 0.00 0.00 179.01 177.06 1k28 h LYS 51 N 0.00 0.00 -6.75 2.33 6.56 -1.13 -3.46 116.57 114.11 1k28 h LYS 51 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1k28 h LYS 51 Cb 0.36 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 32.09 1k28 h LYS 51 CO 0.00 0.11 0.84 -0.51 -2.06 0.00 0.00 179.45 177.83 1k28 s LEU 52 N -5.61 4.37 0.73 2.94 1.02 -0.89 -4.97 118.68 116.26 1k28 s LEU 52 Ca -0.00 2.79 -0.13 0.00 0.02 0.00 0.00 54.13 56.81 1k28 s LEU 52 Cb 0.09 -3.62 0.04 0.00 0.02 0.00 0.00 46.19 42.71 1k28 s LEU 52 CO 0.79 -0.82 1.11 -2.84 0.02 0.00 0.00 176.35 174.61 1k28 s PRO 53 N -0.22 2.42 0.14 1.29 0.02 -1.26 -4.83 135.00 132.57 1k28 s PRO 53 Ca 0.63 1.31 -0.26 0.00 0.02 0.00 0.00 61.00 62.70 1k28 s PRO 53 Cb -0.45 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.09 1k28 s PRO 53 CO 0.44 -1.53 0.81 -1.58 -0.33 0.00 0.00 177.00 174.80 1k28 s TRP 54 N -2.60 3.87 0.05 6.54 0.52 -1.26 -3.66 118.94 122.40 1k28 s TRP 54 Ca 0.65 1.65 0.08 0.00 0.02 0.00 0.00 56.10 58.50 1k28 s TRP 54 Cb -0.19 -2.83 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1k28 s TRP 54 CO 0.49 0.43 -0.22 -1.64 0.02 0.00 0.00 176.95 176.04 1k28 s MET 55 N -0.81 1.92 0.10 4.98 -1.94 0.19 -4.82 119.30 118.91 1k28 s MET 55 Ca 0.38 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1k28 s MET 55 Cb -0.23 -2.09 -0.06 0.00 2.01 0.00 0.00 34.83 34.46 1k28 s MET 55 CO 0.27 0.52 0.43 -1.12 -0.01 0.00 0.00 175.02 175.11 1k28 s SER 56 N -1.44 6.67 0.08 3.03 0.01 -1.19 -1.75 113.70 119.12 1k28 s SER 56 Ca 0.14 0.85 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 1k28 s SER 56 Cb -0.10 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 1k28 s SER 56 CO 0.04 0.15 0.29 0.68 0.41 0.00 0.00 173.24 174.81 1k28 s VAL 57 N -1.43 5.27 -0.11 3.43 -7.23 -1.26 -1.04 120.40 118.04 1k28 s VAL 57 Ca 0.35 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1k28 s VAL 57 Cb -0.14 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 1k28 s VAL 57 CO 0.19 0.16 -0.03 0.27 -0.31 0.00 0.00 175.10 175.37 1k28 s ILE 58 N -1.51 3.98 0.44 -0.62 -5.25 -0.90 -4.93 121.20 112.42 1k28 s ILE 58 Ca 0.35 -0.35 0.08 0.00 -0.99 0.00 0.00 60.65 59.74 1k28 s ILE 58 Cb -0.13 -2.69 0.02 0.00 2.95 0.00 0.00 42.46 42.62 1k28 s ILE 58 CO 0.23 0.56 0.60 -1.10 -1.79 0.00 0.00 174.94 173.44 1k28 s GLN 59 N -0.39 2.75 0.46 0.37 -0.21 -1.26 -4.78 119.66 116.60 1k28 s GLN 59 Ca 0.06 -1.30 -0.24 0.00 0.02 0.00 0.00 55.36 53.90 1k28 s GLN 59 Cb -0.12 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.08 1k28 s GLN 59 CO 0.02 -0.35 1.28 -1.25 -2.12 0.00 0.00 175.29 172.87 1k28 s PRO 60 N -4.39 3.70 0.00 2.91 0.04 -1.26 -4.81 135.00 131.18 1k28 s PRO 60 Ca 0.56 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1k28 s PRO 60 Cb -0.09 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1k28 s PRO 60 CO 0.34 -0.69 0.79 0.44 0.04 0.00 0.00 177.00 177.92 1k28 n ILE 61 N -0.33 1.26 0.79 0.56 -6.64 -1.26 0.23 119.36 113.97 1k28 n ILE 61 Ca 0.06 0.40 0.13 0.00 -1.77 0.00 0.00 62.75 61.57 1k28 n ILE 61 Cb 0.45 -1.40 0.51 0.00 -1.44 0.00 0.00 39.64 37.76 1k28 n ILE 61 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1k28 n THR 62 N -1.29 0.35 -3.83 7.28 5.66 -1.26 -4.65 114.28 116.53 1k28 n THR 62 Ca 0.00 -0.02 -0.36 0.00 -3.05 0.00 0.00 64.05 60.62 1k28 n THR 62 Cb 0.09 -0.64 -0.13 0.00 -1.55 0.00 0.00 70.33 68.10 1k28 n THR 62 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1k28 s SER 63 N -3.47 4.80 0.62 1.09 0.15 0.14 -4.85 113.70 112.17 1k28 s SER 63 Ca 0.11 -0.63 0.39 0.00 0.70 0.00 0.00 55.95 56.52 1k28 s SER 63 Cb 0.15 -1.81 2.02 0.00 -1.71 0.00 0.00 66.02 64.67 1k28 s SER 63 CO 0.50 -0.13 2.24 0.00 1.20 0.00 0.00 173.24 177.05 1k28 h ALA 64 N 8.16 1.09 -5.74 5.45 0.00 -1.82 -3.47 119.26 122.93 1k28 h ALA 64 Ca -0.34 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.16 1k28 h ALA 64 Cb 1.13 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1k28 h ALA 64 CO 0.59 0.02 -0.58 0.00 0.00 0.00 0.00 179.25 179.28 1k28 n ALA 65 N -2.13 -1.09 -3.64 0.00 0.00 -0.07 -4.94 120.51 108.64 1k28 n ALA 65 Ca -0.02 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 1k28 n ALA 65 Cb 0.15 -2.68 -0.17 0.00 0.00 0.00 0.00 19.45 16.75 1k28 n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1k28 s MET 66 N -6.16 1.64 -1.35 0.00 0.00 -1.05 -4.87 119.30 107.51 1k28 s MET 66 Ca 0.45 -0.36 -0.02 0.00 0.00 0.00 0.00 55.69 55.77 1k28 s MET 66 Cb -0.25 -1.48 0.00 0.00 0.00 0.00 0.00 34.83 33.11 1k28 s MET 66 CO 0.56 -0.08 0.03 0.43 0.00 0.00 0.00 175.02 175.96 1k28 n SER 67 N 4.23 0.59 0.00 1.11 7.64 -1.26 0.32 113.62 126.26 1k28 n SER 67 Ca -0.19 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1k28 n SER 67 Cb 0.51 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1k28 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k28 n GLY 68 N -2.38 0.93 3.64 0.23 0.00 -1.26 -5.02 105.19 101.33 1k28 n GLY 68 Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1k28 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k28 s ILE 69 N -3.71 5.11 -5.00 -0.61 1.01 0.15 -4.94 121.20 113.21 1k28 s ILE 69 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1k28 s ILE 69 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1k28 s ILE 69 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1k28 n GLY 70 N 4.11 1.01 2.99 6.18 0.00 -1.26 -0.89 105.19 117.32 1k28 n GLY 70 Ca -0.05 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1k28 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k28 n GLY 71 N -0.90 1.01 3.58 -0.02 0.00 -1.26 -4.96 105.19 102.64 1k28 n GLY 71 Ca 0.00 -2.06 -0.47 0.00 0.00 0.00 0.00 46.02 43.48 1k28 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k28 n SER 72 N -2.81 1.26 -0.32 1.61 2.88 -1.26 -4.86 113.62 110.13 1k28 n SER 72 Ca 0.13 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.94 1k28 n SER 72 Cb 0.46 -1.23 0.27 0.00 -0.75 0.00 0.00 64.21 62.95 1k28 n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1k28 n VAL 73 N 1.08 0.00 -4.24 2.46 0.31 -1.26 -4.90 118.33 111.78 1k28 n VAL 73 Ca 0.13 -0.17 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 1k28 n VAL 73 Cb 0.27 0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 33.77 1k28 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1k28 s THR 74 N -2.49 2.37 0.00 2.52 -4.23 -1.26 -4.28 115.64 108.26 1k28 s THR 74 Ca 0.23 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1k28 s THR 74 Cb 0.19 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1k28 s THR 74 CO 0.53 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 1k28 n GLY 75 N -1.14 -0.24 3.73 3.99 0.00 -1.26 -5.13 105.19 105.14 1k28 n GLY 75 Ca -0.02 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1k28 n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1k28 n PRO 76 N 0.00 2.41 -4.16 1.61 -0.02 -1.26 -5.01 135.00 128.56 1k28 n PRO 76 Ca 0.00 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 1k28 n PRO 76 Cb 0.00 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 30.88 1k28 n PRO 76 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k28 s VAL 77 N -0.63 3.38 0.13 -1.45 0.11 -1.26 -4.96 120.40 115.72 1k28 s VAL 77 Ca 0.59 -1.72 -0.31 0.00 -2.93 0.00 0.00 61.98 57.61 1k28 s VAL 77 Cb -0.54 -2.99 -0.09 0.00 -1.53 0.00 0.00 36.38 31.23 1k28 s VAL 77 CO 0.57 -0.27 1.51 -1.83 -3.33 0.00 0.00 175.10 171.75 1k28 s GLU 78 N -3.79 4.25 0.00 1.54 1.03 -1.26 -1.68 118.70 118.79 1k28 s GLU 78 Ca 0.35 2.25 0.00 0.00 0.03 0.00 0.00 54.97 57.59 1k28 s GLU 78 Cb -0.05 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 30.02 1k28 s GLU 78 CO 0.22 -0.57 0.00 0.41 -1.33 0.00 0.00 175.26 173.99 1k28 n GLY 79 N 3.70 2.01 3.68 -3.83 0.00 0.26 -4.49 105.19 106.51 1k28 n GLY 79 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1k28 n GLY 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k28 n THR 80 N -1.02 0.51 -2.68 2.61 -1.04 -0.68 -4.62 114.28 107.36 1k28 n THR 80 Ca 0.00 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 1k28 n THR 80 Cb 0.00 -2.03 -0.04 0.00 -1.82 0.00 0.00 70.33 66.44 1k28 n THR 80 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1k28 s ARG 81 N 3.45 4.61 0.17 -2.82 0.52 -1.26 -1.30 118.95 122.32 1k28 s ARG 81 Ca 0.87 1.48 0.05 0.00 -0.52 0.00 0.00 55.73 57.62 1k28 s ARG 81 Cb -0.56 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 1k28 s ARG 81 CO 0.43 0.06 -0.10 0.54 0.02 0.00 0.00 175.30 176.25 1k28 s VAL 82 N 0.49 1.29 0.00 3.52 0.11 -0.39 -1.93 120.40 123.49 1k28 s VAL 82 Ca 0.50 -2.09 0.07 0.00 -2.93 0.00 0.00 61.98 57.53 1k28 s VAL 82 Cb -0.23 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1k28 s VAL 82 CO 0.29 -0.67 -0.21 -0.47 -3.33 0.00 0.00 175.10 170.71 1k28 s TYR 83 N -3.25 1.89 0.08 1.54 6.14 0.13 -1.26 117.35 122.62 1k28 s TYR 83 Ca 0.19 -0.36 -0.13 0.00 0.64 0.00 0.00 57.07 57.40 1k28 s TYR 83 Cb 0.02 -1.19 0.05 0.00 0.42 0.00 0.00 41.96 41.26 1k28 s TYR 83 CO 0.03 0.01 0.64 0.41 0.64 0.00 0.00 175.55 177.27 1k28 n GLY 84 N 2.35 0.79 3.38 8.97 0.00 -0.63 -1.18 105.19 118.87 1k28 n GLY 84 Ca -0.16 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1k28 n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k28 s HIS 85 N -3.46 1.87 -0.18 1.61 3.76 -0.90 -0.21 115.29 117.79 1k28 s HIS 85 Ca 0.14 -0.50 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1k28 s HIS 85 Cb -0.01 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 1k28 s HIS 85 CO 0.03 0.46 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.30 1k28 s PHE 86 N -2.82 3.04 -2.05 1.40 0.08 0.79 -1.30 117.98 117.12 1k28 s PHE 86 Ca 0.24 -0.37 0.10 0.00 0.12 0.00 0.00 56.93 57.03 1k28 s PHE 86 Cb -0.02 -2.02 0.38 0.00 -0.57 0.00 0.00 43.02 40.79 1k28 s PHE 86 CO 0.09 -0.13 1.28 1.28 -0.10 0.00 0.00 175.22 177.65 1k28 n LEU 87 N 3.86 1.20 -4.14 -0.37 7.99 0.12 -3.64 117.00 122.02 1k28 n LEU 87 Ca -0.17 -0.58 -0.10 0.00 -0.01 0.00 0.00 56.01 55.15 1k28 n LEU 87 Cb 0.52 -0.13 -0.10 0.00 -0.11 0.00 0.00 43.42 43.60 1k28 n LEU 87 CO 0.32 0.29 -0.26 1.51 -1.51 0.00 0.00 177.39 177.74 1k28 s ASP 88 N -1.15 0.25 0.18 -1.43 3.84 -1.26 -4.56 116.67 112.54 1k28 s ASP 88 Ca 0.20 -1.21 0.04 0.00 -0.00 0.00 0.00 52.55 51.57 1k28 s ASP 88 Cb 0.10 0.33 0.03 0.00 -1.38 0.00 0.00 42.92 42.00 1k28 s ASP 88 CO 0.14 -0.77 1.41 0.07 -0.00 0.00 0.00 175.17 176.02 1k28 h LYS 89 N 2.79 0.15 0.00 2.11 -0.00 -1.90 -3.05 116.57 116.68 1k28 h LYS 89 Ca -0.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.65 60.13 1k28 h LYS 89 Cb 1.21 0.05 -0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1k28 h LYS 89 CO 0.57 0.90 -0.03 -1.49 -0.00 0.00 0.00 179.45 179.40 1k28 h TRP 90 N 0.09 0.00 -4.71 0.07 -0.00 -1.99 -3.47 115.95 105.94 1k28 h TRP 90 Ca -0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.61 1k28 h TRP 90 Cb 1.46 0.00 0.13 0.00 -0.00 0.00 0.00 29.16 30.74 1k28 h TRP 90 CO 0.02 0.03 -0.57 1.63 -0.00 0.00 0.00 178.44 179.55 1k28 n LYS 91 N -3.12 -4.92 -0.00 0.49 5.02 -1.15 -4.94 118.16 109.54 1k28 n LYS 91 Ca 0.02 0.63 0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1k28 n LYS 91 Cb 0.39 -5.00 -0.04 0.00 -0.02 0.00 0.00 35.03 30.36 1k28 n LYS 91 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1k28 n THR 92 N -3.33 0.00 -3.76 -0.18 -2.24 -1.26 -4.89 114.28 98.62 1k28 n THR 92 Ca -0.21 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1k28 n THR 92 Cb 0.63 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.28 1k28 n THR 92 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1k28 s ASN 93 N -2.37 5.28 0.17 3.42 3.04 -1.26 -5.00 114.94 118.21 1k28 s ASN 93 Ca -0.01 -2.11 0.10 0.00 0.04 0.00 0.00 52.86 50.88 1k28 s ASN 93 Cb 0.04 -1.84 -0.04 0.00 -1.54 0.00 0.00 41.25 37.87 1k28 s ASN 93 CO 0.24 -0.54 -0.22 -0.83 -3.04 0.00 0.00 177.10 172.71 1k28 s GLY 94 N 1.76 1.56 0.01 1.21 0.00 -1.26 0.12 107.32 110.71 1k28 s GLY 94 Ca 0.09 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1k28 s GLY 94 CO -0.04 -1.57 -0.12 -0.26 0.00 0.00 0.00 173.10 171.10 1k28 s ILE 95 N -1.70 0.98 -0.34 0.90 -4.36 -0.42 -3.14 121.20 113.12 1k28 s ILE 95 Ca 0.17 -0.68 -0.14 0.00 -0.26 0.00 0.00 60.65 59.74 1k28 s ILE 95 Cb -0.08 -0.85 -0.01 0.00 1.25 0.00 0.00 42.46 42.77 1k28 s ILE 95 CO 0.08 0.16 0.32 -0.69 0.24 0.00 0.00 174.94 175.05 1k28 s VAL 96 N -0.49 5.21 -0.04 8.37 1.01 -0.20 -2.12 120.40 132.14 1k28 s VAL 96 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1k28 s VAL 96 Cb -0.06 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 1k28 s VAL 96 CO 0.00 -0.06 0.67 -0.07 0.00 0.00 0.00 175.10 175.64 1k28 h LEU 97 N 8.65 0.11 -7.82 3.92 3.38 -1.45 -2.39 115.31 119.71 1k28 h LEU 97 Ca -0.30 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.57 1k28 h LEU 97 Cb 1.15 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1k28 h LEU 97 CO 0.67 1.20 0.43 -0.83 0.09 0.00 0.00 178.44 180.00 1k28 s GLY 98 N -5.15 -0.07 0.15 0.83 0.00 -0.94 -4.78 107.32 97.35 1k28 s GLY 98 Ca -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 44.72 44.58 1k28 s GLY 98 CO 0.82 0.36 -0.13 -1.59 0.00 0.00 0.00 173.10 172.56 1k28 s THR 99 N -3.10 3.10 0.10 0.90 2.01 -1.26 0.21 115.64 117.60 1k28 s THR 99 Ca 0.14 -1.54 0.02 0.00 0.31 0.00 0.00 61.69 60.62 1k28 s THR 99 Cb -0.03 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1k28 s THR 99 CO 0.05 -0.00 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.19 1k28 s TYR 100 N -1.44 0.92 0.11 4.92 1.13 -0.81 -4.91 117.35 117.28 1k28 s TYR 100 Ca 0.22 -0.88 0.05 0.00 -1.41 0.00 0.00 57.07 55.05 1k28 s TYR 100 Cb -0.10 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.20 1k28 s TYR 100 CO 0.13 -0.12 -0.11 0.20 -2.51 0.00 0.00 175.55 173.14 1k28 s GLY 101 N -2.98 0.96 0.23 5.49 0.00 -1.26 -4.34 107.32 105.42 1k28 s GLY 101 Ca 0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 1k28 s GLY 101 CO -0.04 -1.35 0.33 0.61 0.00 0.00 0.00 173.10 172.65 1k28 n GLY 102 N 0.41 2.38 3.65 0.20 0.00 -1.26 -4.98 105.19 105.60 1k28 n GLY 102 Ca -0.15 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1k28 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k28 s ILE 103 N -2.66 4.74 -0.82 -0.61 1.01 -1.26 -2.08 121.20 119.52 1k28 s ILE 103 Ca 0.18 1.81 -0.25 0.00 0.00 0.00 0.00 60.65 62.39 1k28 s ILE 103 Cb -0.01 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1k28 s ILE 103 CO 0.13 -0.15 1.29 -0.69 0.00 0.00 0.00 174.94 175.52 1k28 s VAL 104 N 3.06 3.88 0.22 2.92 1.01 0.23 -4.85 120.40 126.88 1k28 s VAL 104 Ca 0.40 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1k28 s VAL 104 Cb -0.15 -4.93 -0.08 0.00 0.00 0.00 0.00 36.38 31.21 1k28 s VAL 104 CO 0.07 -1.83 1.51 0.03 0.00 0.00 0.00 175.10 174.88 1k28 h ARG 105 N 9.86 0.05 -2.55 2.72 2.47 -1.94 0.11 114.38 125.09 1k28 h ARG 105 Ca -0.12 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.46 1k28 h ARG 105 Cb 1.04 0.01 -0.22 0.00 -1.65 0.00 0.00 29.97 29.15 1k28 h ARG 105 CO 1.31 0.76 -0.10 -1.83 0.56 0.00 0.00 179.97 180.66 1k28 s GLU 106 N -3.38 0.70 -0.01 0.04 -1.05 -1.26 -4.93 118.70 108.82 1k28 s GLU 106 Ca -0.01 0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 54.90 1k28 s GLU 106 Cb 0.12 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 34.07 1k28 s GLU 106 CO 0.79 -0.15 1.59 0.21 0.95 0.00 0.00 175.26 178.65 1k28 s LYS 107 N -0.41 4.21 1.14 -4.83 2.47 -1.26 -4.99 119.74 116.07 1k28 s LYS 107 Ca -0.06 2.17 -0.13 0.00 -1.56 0.00 0.00 55.97 56.39 1k28 s LYS 107 Cb -0.03 -3.77 0.27 0.00 -1.46 0.00 0.00 37.83 32.84 1k28 s LYS 107 CO 0.03 -0.75 1.04 -1.25 0.16 0.00 0.00 175.35 174.59 1k28 s PRO 108 N 3.22 -0.72 -0.69 4.03 0.04 -1.26 -4.97 135.00 134.64 1k28 s PRO 108 Ca 0.71 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.19 1k28 s PRO 108 Cb -0.35 -1.59 0.11 0.00 0.04 0.00 0.00 34.50 32.71 1k28 s PRO 108 CO 0.29 -3.54 0.85 1.21 0.04 0.00 0.00 177.00 175.86 1k28 s ASN 109 N -2.89 6.30 0.53 6.66 3.84 -1.26 -4.91 114.94 123.22 1k28 s ASN 109 Ca 0.68 -1.51 0.42 0.00 0.21 0.00 0.00 52.86 52.66 1k28 s ASN 109 Cb -0.22 -2.34 1.44 0.00 -0.55 0.00 0.00 41.25 39.58 1k28 s ASN 109 CO 0.62 -1.16 1.41 -1.14 -2.79 0.00 0.00 177.10 174.04 1k28 n ARG 110 N 6.57 0.00 0.18 0.43 0.63 -1.26 0.90 116.66 124.11 1k28 n ARG 110 Ca -0.01 1.00 0.09 0.00 -0.92 0.00 0.00 57.85 58.02 1k28 n ARG 110 Cb 0.45 -2.36 0.10 0.00 0.45 0.00 0.00 32.46 31.09 1k28 n ARG 110 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1k28 h LEU 111 N 0.00 0.00-10.27 6.15 3.38 -1.89 -3.39 115.31 109.30 1k28 h LEU 111 Ca 0.78 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 58.28 1k28 h LEU 111 Cb 3.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.13 1k28 h LEU 111 CO -0.01 0.12 -0.17 -1.61 0.09 0.00 0.00 178.44 176.87 1k28 s GLU 112 N -3.18 3.39 1.12 1.13 0.41 0.26 -4.57 118.70 117.27 1k28 s GLU 112 Ca 0.05 -0.37 -0.17 0.00 -0.41 0.00 0.00 54.97 54.06 1k28 s GLU 112 Cb 0.06 -2.64 0.25 0.00 -1.78 0.00 0.00 34.13 30.03 1k28 s GLU 112 CO 0.71 0.05 1.12 0.20 -0.49 0.00 0.00 175.26 176.86 1k28 s GLY 113 N -4.08 1.59 -1.16 -1.39 0.00 0.30 -4.17 107.32 98.41 1k28 s GLY 113 Ca 0.42 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 44.26 1k28 s GLY 113 CO 0.36 -0.02 0.83 0.69 0.00 0.00 0.00 173.10 174.97 1k28 n PHE 114 N -4.50 -2.15 -3.83 1.90 3.01 -1.26 -4.94 117.46 105.69 1k28 n PHE 114 Ca 0.11 0.72 -0.07 0.00 1.01 0.00 0.00 57.45 59.21 1k28 n PHE 114 Cb 0.59 -4.18 0.00 0.00 -0.01 0.00 0.00 39.48 35.88 1k28 n PHE 114 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1k28 s SER 115 N -3.12 -0.13 -0.41 4.37 1.04 -1.26 -4.99 113.70 109.20 1k28 s SER 115 Ca 0.41 -0.83 -0.29 0.00 0.48 0.00 0.00 55.95 55.73 1k28 s SER 115 Cb -0.18 0.76 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1k28 s SER 115 CO 0.51 -1.45 1.15 -0.62 0.98 0.00 0.00 173.24 173.81 1k28 s ASP 116 N -3.01 6.70 0.29 7.02 3.68 -1.26 -4.51 116.67 125.58 1k28 s ASP 116 Ca 0.13 0.72 0.21 0.00 2.13 0.00 0.00 52.55 55.74 1k28 s ASP 116 Cb -0.05 -2.55 1.07 0.00 -1.45 0.00 0.00 42.92 39.94 1k28 s ASP 116 CO 0.08 -1.15 1.64 -0.81 0.13 0.00 0.00 175.17 175.07 1k28 n PRO 117 N 7.54 0.14 0.12 4.34 -0.04 -1.26 -1.53 135.00 144.31 1k28 n PRO 117 Ca 0.13 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1k28 n PRO 117 Cb 0.48 -1.91 0.05 0.00 -0.04 0.00 0.00 33.50 32.08 1k28 n PRO 117 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1k28 h THR 118 N 0.00 0.00 0.00 0.52 2.02 -1.89 -3.45 112.91 110.10 1k28 h THR 118 Ca 0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1k28 h THR 118 Cb 0.09 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1k28 h THR 118 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1k28 n GLY 119 N 1.18 1.70 0.34 2.16 0.00 -0.58 -4.90 105.19 105.08 1k28 n GLY 119 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1k28 n GLY 119 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1k28 h GLN 120 N 2.82 1.18 -6.67 1.61 4.15 -1.93 -3.44 115.11 112.83 1k28 h GLN 120 Ca 0.00 -0.21 -0.69 0.00 0.77 0.00 0.00 58.65 58.52 1k28 h GLN 120 Cb 0.00 -0.19 -0.24 0.00 0.21 0.00 0.00 27.48 27.26 1k28 h GLN 120 CO 0.00 0.96 -0.84 0.71 -1.93 0.00 0.00 178.83 177.72 1k28 s TYR 121 N -5.54 2.43 0.79 3.99 1.51 -1.26 -3.75 117.35 115.53 1k28 s TYR 121 Ca -0.12 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.50 1k28 s TYR 121 Cb 0.16 -1.42 0.07 0.00 -0.11 0.00 0.00 41.96 40.66 1k28 s TYR 121 CO 0.84 0.19 1.10 -1.25 -1.11 0.00 0.00 175.55 175.32 1k28 s PRO 122 N -1.36 2.07 0.24 -1.71 0.04 -1.26 -4.17 135.00 128.85 1k28 s PRO 122 Ca 0.13 1.23 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1k28 s PRO 122 Cb -0.10 -1.87 0.23 0.00 0.04 0.00 0.00 34.50 32.80 1k28 s PRO 122 CO 0.04 -1.80 1.54 0.00 0.04 0.00 0.00 177.00 176.82 1k28 h ARG 123 N -1.23 0.00 -2.91 4.56 3.08 -1.93 -3.47 114.38 112.49 1k28 h ARG 123 Ca -0.43 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.69 1k28 h ARG 123 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 1k28 h ARG 123 CO 0.50 0.70 0.27 -0.98 -1.07 0.00 0.00 179.97 179.39 1k28 s ARG 124 N -3.42 1.75 0.45 0.04 1.70 -1.26 -5.16 118.95 113.04 1k28 s ARG 124 Ca -0.01 -0.99 -0.16 0.00 -0.47 0.00 0.00 55.73 54.11 1k28 s ARG 124 Cb 0.12 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 35.00 1k28 s ARG 124 CO 0.78 -0.80 0.89 -0.51 -1.08 0.00 0.00 175.30 174.57 1k28 s LEU 125 N -2.94 3.79 0.00 -1.89 1.43 -1.26 -4.92 118.68 112.88 1k28 s LEU 125 Ca 0.12 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1k28 s LEU 125 Cb -0.05 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.84 1k28 s LEU 125 CO 0.07 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1k28 n GLY 126 N -1.20 0.62 3.74 -3.19 0.00 0.02 -4.95 105.19 100.24 1k28 n GLY 126 Ca 0.05 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1k28 n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k28 s ASN 127 N -3.42 6.84 0.47 1.61 3.04 -1.26 0.76 114.94 122.97 1k28 s ASN 127 Ca 0.00 2.45 0.30 0.00 0.04 0.00 0.00 52.86 55.65 1k28 s ASN 127 Cb 0.00 -2.61 1.11 0.00 -1.54 0.00 0.00 41.25 38.21 1k28 s ASN 127 CO 0.00 -0.58 1.87 0.44 -3.04 0.00 0.00 177.10 175.79 1k28 h ASP 128 N 5.46 0.00 -3.88 -4.21 3.45 -1.79 -3.45 116.42 112.00 1k28 h ASP 128 Ca -0.45 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 56.54 1k28 h ASP 128 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1k28 h ASP 128 CO 0.78 0.00 0.37 0.42 -1.57 0.00 0.00 179.24 179.24 1k28 s THR 129 N -3.51 4.07 0.38 0.35 -4.23 -1.26 -4.97 115.64 106.48 1k28 s THR 129 Ca 0.03 1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 62.02 1k28 s THR 129 Cb 0.09 -3.98 -0.11 0.00 1.34 0.00 0.00 72.50 69.83 1k28 s THR 129 CO 0.54 0.17 1.33 -3.20 -0.54 0.00 0.00 174.62 172.91 1k28 n ASN 130 N 0.58 2.91 -0.05 3.99 2.85 -1.26 -4.84 115.26 119.45 1k28 n ASN 130 Ca 0.02 1.17 0.03 0.00 -0.11 0.00 0.00 54.58 55.69 1k28 n ASN 130 Cb 0.49 -1.52 0.38 0.00 1.24 0.00 0.00 39.78 40.37 1k28 n ASN 130 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1k28 h VAL 131 N 2.44 1.13 0.00 3.44 -1.51 -1.91 0.16 116.25 120.00 1k28 h VAL 131 Ca -0.48 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 1k28 h VAL 131 Cb 1.28 0.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1k28 h VAL 131 CO 0.62 0.13 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.96 1k28 h LEU 132 N 0.65 0.00 0.00 4.19 3.38 -1.86 0.11 115.31 121.78 1k28 h LEU 132 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1k28 h LEU 132 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1k28 h LEU 132 CO -0.03 0.06 -0.46 0.78 0.09 0.00 0.00 178.44 178.87 1k28 h ASN 133 N 0.00 0.00 1.33 -0.43 -0.26 -1.08 -3.29 115.58 111.85 1k28 h ASN 133 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1k28 h ASN 133 Cb 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1k28 h ASN 133 CO 0.01 0.05 -0.21 1.56 -1.06 0.00 0.00 177.43 177.78 1k28 h GLN 134 N 0.00 0.00 0.00 0.81 4.20 0.42 -3.39 115.11 117.15 1k28 h GLN 134 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1k28 h GLN 134 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1k28 h GLN 134 CO 0.01 0.21 0.00 0.41 -0.67 0.00 0.00 178.83 178.78 1k28 n GLY 135 N 0.62 -0.02 7.00 3.46 0.00 -0.97 -3.79 105.19 111.49 1k28 n GLY 135 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1k28 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k28 n GLY 136 N 0.00 0.95 0.30 -0.02 0.00 -0.94 -1.02 105.19 104.46 1k28 n GLY 136 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1k28 n GLY 136 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k28 h GLU 137 N 0.00 0.95 -0.72 1.61 5.08 -1.93 -0.67 114.58 118.90 1k28 h GLU 137 Ca 0.00 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1k28 h GLU 137 Cb 0.00 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1k28 h GLU 137 CO 0.00 0.93 0.37 0.28 -1.00 0.00 0.00 179.01 179.59 1k28 h VAL 138 N 0.87 0.87 -0.01 3.13 2.07 -1.91 1.59 116.25 122.86 1k28 h VAL 138 Ca 0.16 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1k28 h VAL 138 Cb 0.50 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1k28 h VAL 138 CO 0.02 0.12 -0.03 1.23 0.02 0.00 0.00 177.57 178.93 1k28 h GLY 139 N 0.63 0.05 0.92 2.17 0.00 -0.85 -2.20 103.07 103.79 1k28 h GLY 139 Ca 0.35 -0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.77 1k28 h GLY 139 CO -0.26 0.05 0.40 -1.82 0.00 0.00 0.00 176.54 174.91 1k28 h TYR 140 N -0.52 0.11 -0.00 5.60 5.03 -0.38 0.12 116.97 126.92 1k28 h TYR 140 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1k28 h TYR 140 Cb 0.61 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1k28 h TYR 140 CO 0.13 0.04 -0.25 -0.25 -1.32 0.00 0.00 178.16 176.51 1k28 n ASP 141 N -4.40 0.62 -4.48 -2.11 8.00 0.54 -4.78 116.55 109.93 1k28 n ASP 141 Ca 0.10 -0.49 -0.46 0.00 0.71 0.00 0.00 54.79 54.65 1k28 n ASP 141 Cb 0.57 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 1k28 n ASP 141 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1k28 n SER 142 N -1.05 -0.24 0.26 -2.24 2.88 0.42 -4.68 113.62 108.98 1k28 n SER 142 Ca 0.11 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.91 1k28 n SER 142 Cb 0.32 -1.10 0.84 0.00 -0.75 0.00 0.00 64.21 63.52 1k28 n SER 142 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1k28 h SER 143 N 1.36 0.00 -0.62 -3.46 4.64 -1.91 -0.76 113.55 112.80 1k28 h SER 143 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1k28 h SER 143 Cb 1.40 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.45 1k28 h SER 143 CO 0.58 0.00 0.37 0.28 -0.87 0.00 0.00 176.83 177.18 1k28 h SER 144 N 0.00 0.77 0.20 4.97 0.02 -1.94 0.19 113.55 117.75 1k28 h SER 144 Ca 0.03 -0.05 -0.30 0.00 -0.84 0.00 0.00 61.79 60.63 1k28 h SER 144 Cb 0.13 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.51 1k28 h SER 144 CO -0.00 0.61 -1.27 0.78 -1.14 0.00 0.00 176.83 175.81 1k28 h ASN 145 N 0.88 0.83 0.39 3.07 2.35 -1.47 -2.22 115.58 119.41 1k28 h ASN 145 Ca 0.23 -0.78 -0.02 0.00 -0.55 0.00 0.00 56.30 55.17 1k28 h ASN 145 Cb -0.01 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1k28 h ASN 145 CO -0.04 1.59 -0.19 0.58 -1.65 0.00 0.00 177.43 177.73 1k28 h VAL 146 N 0.24 0.62 -0.43 2.81 2.07 -0.99 -0.52 116.25 120.05 1k28 h VAL 146 Ca -0.19 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1k28 h VAL 146 Cb 1.95 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1k28 h VAL 146 CO 0.24 0.02 0.16 0.40 0.02 0.00 0.00 177.57 178.41 1k28 h ILE 147 N -0.59 1.17 0.05 4.57 2.04 -0.75 -0.69 117.51 123.31 1k28 h ILE 147 Ca -0.05 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1k28 h ILE 147 Cb 0.44 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1k28 h ILE 147 CO 0.09 0.21 -0.02 -0.61 0.00 0.00 0.00 178.15 177.82 1k28 h GLN 148 N 0.61 -0.06 0.00 2.37 4.15 -1.23 -2.94 115.11 118.01 1k28 h GLN 148 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1k28 h GLN 148 Cb 0.15 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1k28 h GLN 148 CO -0.01 0.23 0.00 -0.25 -1.93 0.00 0.00 178.83 176.87 1k28 n ASP 149 N -4.98 0.16 -0.79 -0.69 8.00 -0.22 -2.10 116.55 115.93 1k28 n ASP 149 Ca -0.08 0.55 0.04 0.00 0.71 0.00 0.00 54.79 56.01 1k28 n ASP 149 Cb 0.17 -0.58 0.21 0.00 -0.02 0.00 0.00 41.12 40.90 1k28 n ASP 149 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1k28 n SER 150 N -1.69 2.80 -0.08 -2.24 3.41 -0.31 -4.42 113.62 111.10 1k28 n SER 150 Ca 0.02 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 1k28 n SER 150 Cb 0.10 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1k28 n SER 150 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k28 n ASN 151 N -1.00 0.15 -4.69 4.04 3.02 -0.89 -3.94 115.26 111.95 1k28 n ASN 151 Ca 0.24 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 1k28 n ASN 151 Cb 0.87 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 1k28 n ASN 151 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k28 s LEU 152 N -0.10 4.37 0.43 3.41 1.02 -1.23 -5.01 118.68 121.57 1k28 s LEU 152 Ca 0.00 2.50 -0.09 0.00 0.02 0.00 0.00 54.13 56.56 1k28 s LEU 152 Cb 0.00 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.59 1k28 s LEU 152 CO 0.00 -0.87 0.78 -1.81 0.02 0.00 0.00 176.35 174.46 1k28 s ASP 153 N 2.21 6.46 -0.11 2.29 1.11 -1.26 -4.91 116.67 122.45 1k28 s ASP 153 Ca 0.73 1.10 0.02 0.00 0.18 0.00 0.00 52.55 54.58 1k28 s ASP 153 Cb -0.40 -2.31 0.01 0.00 1.07 0.00 0.00 42.92 41.29 1k28 s ASP 153 CO 0.32 -0.45 -0.17 -0.89 1.18 0.00 0.00 175.17 175.16 1k28 s THR 154 N -2.47 1.63 0.09 -1.27 2.01 -1.26 -2.08 115.64 112.29 1k28 s THR 154 Ca 0.50 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1k28 s THR 154 Cb -0.10 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1k28 s THR 154 CO 0.35 0.47 0.38 0.00 -0.69 0.00 0.00 174.62 175.13 1k28 s ALA 155 N 0.86 3.75 -0.03 7.40 0.00 -0.11 -5.01 121.76 128.62 1k28 s ALA 155 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1k28 s ALA 155 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 1k28 s ALA 155 CO -0.00 0.60 -0.22 0.96 0.00 0.00 0.00 175.76 177.10 1k28 s ILE 156 N -1.47 2.37 -0.36 0.00 -4.36 -1.26 -0.77 121.20 115.35 1k28 s ILE 156 Ca 0.35 -0.99 -0.26 0.00 -0.26 0.00 0.00 60.65 59.49 1k28 s ILE 156 Cb -0.13 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.73 1k28 s ILE 156 CO 0.20 0.58 0.95 0.21 0.24 0.00 0.00 174.94 177.12 1k28 s ASN 157 N -0.61 6.72 0.28 4.36 2.47 0.23 -4.51 114.94 123.88 1k28 s ASN 157 Ca 0.09 0.66 -0.27 0.00 0.42 0.00 0.00 52.86 53.76 1k28 s ASN 157 Cb -0.10 -2.48 -0.15 0.00 -1.45 0.00 0.00 41.25 37.07 1k28 s ASN 157 CO -0.00 -0.86 0.85 -0.81 -3.72 0.00 0.00 177.10 172.56 1k28 n PRO 158 N 6.79 0.96 -3.67 0.43 -0.04 -1.26 -4.73 135.00 133.48 1k28 n PRO 158 Ca 0.08 0.34 -0.37 0.00 -0.04 0.00 0.00 63.50 63.50 1k28 n PRO 158 Cb 0.48 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 1k28 n PRO 158 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1k28 s ASP 159 N -0.70 5.67 -0.09 3.54 2.15 -1.26 -4.97 116.67 121.00 1k28 s ASP 159 Ca 0.60 -0.08 0.18 0.00 0.43 0.00 0.00 52.55 53.68 1k28 s ASP 159 Cb -0.74 -2.04 0.64 0.00 -0.30 0.00 0.00 42.92 40.48 1k28 s ASP 159 CO 0.59 -0.03 1.55 -0.90 -0.17 0.00 0.00 175.17 176.21 1k28 n ASP 160 N 4.92 4.36 -4.76 -0.34 3.85 -1.26 -4.98 116.55 118.34 1k28 n ASP 160 Ca -0.15 -2.40 -0.38 0.00 -0.71 0.00 0.00 54.79 51.16 1k28 n ASP 160 Cb 0.52 -0.52 0.02 0.00 -1.35 0.00 0.00 41.12 39.79 1k28 n ASP 160 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1k28 s ARG 161 N -1.74 3.38 0.58 0.11 0.52 -1.26 -4.93 118.95 115.60 1k28 s ARG 161 Ca 0.46 2.01 -0.18 0.00 -0.52 0.00 0.00 55.73 57.50 1k28 s ARG 161 Cb 0.30 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 1k28 s ARG 161 CO 0.23 -0.93 1.13 -1.25 0.02 0.00 0.00 175.30 174.50 1k28 s PRO 162 N -2.86 3.18 0.31 3.54 0.04 -1.26 -4.88 135.00 133.08 1k28 s PRO 162 Ca 0.69 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1k28 s PRO 162 Cb -0.35 -1.99 0.83 0.00 0.04 0.00 0.00 34.50 33.04 1k28 s PRO 162 CO 0.41 -0.98 1.63 -0.07 0.04 0.00 0.00 177.00 178.03 1k28 h LEU 163 N 0.87 -0.01 0.00 -3.56 3.38 -1.98 0.24 115.31 114.26 1k28 h LEU 163 Ca -0.49 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1k28 h LEU 163 Cb 1.26 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1k28 h LEU 163 CO 0.56 -0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.32 1k28 n SER 164 N -5.26 0.00 0.00 -0.43 3.41 -1.26 -2.30 113.62 107.77 1k28 n SER 164 Ca 0.25 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1k28 n SER 164 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1k28 n SER 164 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k28 n GLU 165 N -0.96 1.96 -3.12 4.33 1.02 0.07 -4.98 120.64 118.96 1k28 n GLU 165 Ca 0.08 -1.16 -0.42 0.00 -0.02 0.00 0.00 57.16 55.64 1k28 n GLU 165 Cb 0.03 -0.86 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1k28 n GLU 165 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k28 s ILE 166 N -0.67 4.90 0.33 -3.67 1.01 -0.97 -4.93 121.20 117.19 1k28 s ILE 166 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 1k28 s ILE 166 Cb 0.00 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1k28 s ILE 166 CO 0.00 -0.32 1.53 -2.84 0.00 0.00 0.00 174.94 173.31 1k28 s PRO 167 N 2.69 4.14 0.16 2.79 0.02 -1.26 -5.01 135.00 138.53 1k28 s PRO 167 Ca 0.24 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.60 1k28 s PRO 167 Cb -0.15 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 1k28 s PRO 167 CO 0.15 -0.56 0.67 0.95 -0.33 0.00 0.00 177.00 177.88 1k28 s THR 168 N -0.52 4.62 -0.43 0.99 -4.23 -1.26 -4.63 115.64 110.18 1k28 s THR 168 Ca 0.58 1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 62.26 1k28 s THR 168 Cb -0.46 -3.90 0.08 0.00 1.34 0.00 0.00 72.50 69.56 1k28 s THR 168 CO 0.54 0.36 0.28 -0.62 -0.54 0.00 0.00 174.62 174.64 1k28 s ASP 169 N -1.43 5.69 0.12 3.99 3.68 0.16 -4.92 116.67 123.96 1k28 s ASP 169 Ca 0.37 -1.55 0.07 0.00 2.13 0.00 0.00 52.55 53.58 1k28 s ASP 169 Cb -0.18 -2.01 -0.20 0.00 -1.45 0.00 0.00 42.92 39.08 1k28 s ASP 169 CO 0.21 -0.57 1.29 0.44 0.13 0.00 0.00 175.17 176.67 1k28 h ASP 170 N 8.44 0.00 -2.71 -0.34 3.32 -1.97 -3.32 116.42 119.84 1k28 h ASP 170 Ca -0.23 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.19 1k28 h ASP 170 Cb 1.08 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 1k28 h ASP 170 CO 0.78 0.99 -0.48 -3.20 -1.72 0.00 0.00 179.24 175.61 1k28 n ASN 171 N -3.36 3.60 -4.64 6.45 5.15 -1.26 -4.45 115.26 116.75 1k28 n ASN 171 Ca -0.00 -3.32 -0.45 0.00 -0.60 0.00 0.00 54.58 50.21 1k28 n ASN 171 Cb 0.93 -0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 39.39 1k28 n ASN 171 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1k28 n PRO 172 N 1.48 1.73 -1.10 1.20 -0.02 -1.26 -4.87 135.00 132.17 1k28 n PRO 172 Ca 0.25 0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 62.14 1k28 n PRO 172 Cb 0.38 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1k28 n PRO 172 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1k28 n ASN 173 N 1.81 6.42 -3.67 2.55 4.05 -1.26 -4.81 115.26 120.36 1k28 n ASN 173 Ca 0.11 -3.09 -0.11 0.00 0.45 0.00 0.00 54.58 51.95 1k28 n ASN 173 Cb 0.30 -1.13 -0.09 0.00 1.23 0.00 0.00 39.78 40.10 1k28 n ASN 173 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1k28 s MET 174 N -1.67 0.61 0.30 1.20 1.75 -1.26 -5.06 119.30 115.17 1k28 s MET 174 Ca 0.42 0.94 -0.10 0.00 -1.25 0.00 0.00 55.69 55.70 1k28 s MET 174 Cb 0.29 0.17 -0.07 0.00 2.84 0.00 0.00 34.83 38.07 1k28 s MET 174 CO -0.08 -0.12 0.63 -1.54 -0.65 0.00 0.00 175.02 173.26 1k28 s SER 175 N 1.04 6.59 0.35 1.11 1.04 -1.26 -4.90 113.70 117.68 1k28 s SER 175 Ca -0.06 0.99 0.07 0.00 0.48 0.00 0.00 55.95 57.44 1k28 s SER 175 Cb -0.06 -2.26 0.77 0.00 0.10 0.00 0.00 66.02 64.58 1k28 s SER 175 CO -0.10 -0.20 1.91 -0.03 0.98 0.00 0.00 173.24 175.80 1k28 h MET 176 N 2.02 0.71 -0.03 4.02 4.05 -1.99 0.31 114.93 124.02 1k28 h MET 176 Ca -0.47 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 58.93 1k28 h MET 176 Cb 1.18 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 1k28 h MET 176 CO 0.67 0.47 -0.16 0.00 0.23 0.00 0.00 176.91 178.12 1k28 h ALA 177 N 1.59 -0.17 -0.03 0.39 0.00 -1.99 -0.49 119.26 118.57 1k28 h ALA 177 Ca 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1k28 h ALA 177 Cb 0.52 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1k28 h ALA 177 CO -0.16 -0.64 0.01 0.93 0.00 0.00 0.00 179.25 179.38 1k28 h GLU 178 N -0.25 0.04 -0.29 0.00 5.08 -1.44 -2.00 114.58 115.72 1k28 h GLU 178 Ca 0.06 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1k28 h GLU 178 Cb 0.33 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1k28 h GLU 178 CO -0.17 0.23 -0.26 1.98 -1.00 0.00 0.00 179.01 179.78 1k28 h MET 179 N -0.15 -0.23 -0.85 2.33 4.05 -0.24 -0.07 114.93 119.76 1k28 h MET 179 Ca 0.01 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1k28 h MET 179 Cb 0.20 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.01 1k28 h MET 179 CO -0.00 -0.16 0.56 -0.07 0.23 0.00 0.00 176.91 177.47 1k28 h LEU 180 N -0.24 0.90 -1.09 3.39 -0.00 -1.06 -2.08 115.31 115.12 1k28 h LEU 180 Ca 0.15 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1k28 h LEU 180 Cb 0.48 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 1k28 h LEU 180 CO -0.43 0.61 0.36 0.03 -0.00 0.00 0.00 178.44 179.00 1k28 h ARG 181 N 1.03 1.00 0.18 1.13 3.08 -0.28 0.45 114.38 120.97 1k28 h ARG 181 Ca 0.34 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1k28 h ARG 181 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1k28 h ARG 181 CO -0.11 0.76 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.37 1k28 h ARG 182 N 1.00 -0.24 -0.23 0.04 2.43 -0.54 0.13 114.38 116.97 1k28 h ARG 182 Ca 0.25 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1k28 h ARG 182 Cb 0.07 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1k28 h ARG 182 CO -0.04 0.15 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.01 1k28 h ASP 183 N -0.71 0.37 0.00 -3.80 3.45 -1.34 -3.22 116.42 111.17 1k28 h ASP 183 Ca -0.03 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1k28 h ASP 183 Cb 0.50 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1k28 h ASP 183 CO 0.04 0.53 -1.75 -0.62 -1.57 0.00 0.00 179.24 175.87 1k28 n GLU 184 N -4.23 0.54 0.00 3.56 4.71 0.14 -5.07 120.64 120.28 1k28 n GLU 184 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 1k28 n GLU 184 Cb 0.30 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1k28 n GLU 184 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k28 n GLY 185 N 1.34 1.19 3.61 0.62 0.00 0.46 -4.18 105.19 108.21 1k28 n GLY 185 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 1k28 n GLY 185 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k28 s LEU 186 N 0.00 -1.05 -0.05 0.99 2.96 -1.25 -4.34 118.68 115.94 1k28 s LEU 186 Ca 0.00 1.51 -0.02 0.00 -0.22 0.00 0.00 54.13 55.40 1k28 s LEU 186 Cb 0.00 2.23 0.03 0.00 0.50 0.00 0.00 46.19 48.95 1k28 s LEU 186 CO 0.00 -0.22 0.03 -0.13 -1.32 0.00 0.00 176.35 174.71 1k28 s ARG 187 N 2.60 0.22 -0.01 1.98 1.81 -0.97 -4.92 118.95 119.67 1k28 s ARG 187 Ca -0.06 0.25 0.03 0.00 -1.72 0.00 0.00 55.73 54.22 1k28 s ARG 187 Cb -0.11 -0.69 0.10 0.00 -0.45 0.00 0.00 34.95 33.81 1k28 s ARG 187 CO -0.19 -0.30 0.97 1.28 -0.68 0.00 0.00 175.30 176.38 1k28 n LEU 188 N 5.14 0.89 -4.07 2.53 4.77 -1.26 -0.77 117.00 124.22 1k28 n LEU 188 Ca -0.07 -0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 1k28 n LEU 188 Cb 0.50 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1k28 n LEU 188 CO 0.09 0.19 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.36 1k28 s LYS 189 N -1.69 0.74 0.21 3.23 1.02 -1.26 -2.22 119.74 119.77 1k28 s LYS 189 Ca 0.07 -0.57 -0.32 0.00 0.02 0.00 0.00 55.97 55.17 1k28 s LYS 189 Cb 0.04 -0.69 -0.13 0.00 -0.52 0.00 0.00 37.83 36.53 1k28 s LYS 189 CO 0.04 0.17 1.54 0.28 -0.92 0.00 0.00 175.35 176.46 1k28 n VAL 190 N 2.19 0.42 -3.90 3.17 0.31 -0.46 -4.70 118.33 115.37 1k28 n VAL 190 Ca -0.17 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 1k28 n VAL 190 Cb 0.56 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 1k28 n VAL 190 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1k28 s TYR 191 N 0.52 0.26 -0.05 3.52 1.13 -0.28 -4.79 117.35 117.65 1k28 s TYR 191 Ca 0.73 -0.63 0.00 0.00 -1.41 0.00 0.00 57.07 55.76 1k28 s TYR 191 Cb -0.63 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1k28 s TYR 191 CO 0.42 -0.71 -0.02 -1.58 -2.51 0.00 0.00 175.55 171.16 1k28 s TRP 192 N -3.93 3.07 0.65 -3.49 0.51 -1.26 0.14 118.94 114.63 1k28 s TRP 192 Ca 0.13 0.11 -0.07 0.00 -2.12 0.00 0.00 56.10 54.14 1k28 s TRP 192 Cb 0.03 -1.73 0.14 0.00 -0.81 0.00 0.00 33.47 31.11 1k28 s TRP 192 CO -0.03 0.43 0.89 -0.40 -0.51 0.00 0.00 176.95 177.33 1k28 n ASP 193 N 1.93 0.45 -0.33 2.95 3.85 -0.83 -4.87 116.55 119.69 1k28 n ASP 193 Ca -0.17 -1.56 0.09 0.00 -0.71 0.00 0.00 54.79 52.44 1k28 n ASP 193 Cb 0.53 -0.65 0.28 0.00 -1.35 0.00 0.00 41.12 39.94 1k28 n ASP 193 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1k28 h THR 194 N -1.16 0.89 -0.75 2.12 1.35 -1.95 -0.78 112.91 112.62 1k28 h THR 194 Ca -0.29 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1k28 h THR 194 Cb 0.89 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.19 1k28 h THR 194 CO 0.24 0.16 0.26 -0.08 -0.25 0.00 0.00 175.52 175.86 1k28 h GLU 195 N 0.90 1.15 0.00 4.72 4.57 -1.97 -3.46 114.58 120.49 1k28 h GLU 195 Ca 0.48 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1k28 h GLU 195 Cb 0.56 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1k28 h GLU 195 CO -0.25 0.96 0.00 0.41 -1.18 0.00 0.00 179.01 178.96 1k28 n GLY 196 N -0.80 1.61 3.88 1.92 0.00 -0.30 -4.95 105.19 106.55 1k28 n GLY 196 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1k28 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k28 s TYR 197 N -2.00 3.59 0.17 1.61 2.02 -1.26 -4.19 117.35 117.30 1k28 s TYR 197 Ca 0.00 0.59 -0.31 0.00 -0.37 0.00 0.00 57.07 56.98 1k28 s TYR 197 Cb 0.00 -2.00 -0.10 0.00 -0.40 0.00 0.00 41.96 39.46 1k28 s TYR 197 CO 0.00 0.64 1.52 -1.25 -1.57 0.00 0.00 175.55 174.89 1k28 s PRO 198 N -1.60 4.24 0.16 -1.71 0.04 -1.26 -1.97 135.00 132.90 1k28 s PRO 198 Ca 0.25 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.63 1k28 s PRO 198 Cb -0.13 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1k28 s PRO 198 CO 0.14 -0.55 -0.04 0.99 0.04 0.00 0.00 177.00 177.58 1k28 s THR 199 N 0.96 0.87 0.26 1.26 2.01 0.36 -1.48 115.64 119.88 1k28 s THR 199 Ca 0.68 -2.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 1k28 s THR 199 Cb -0.42 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.17 1k28 s THR 199 CO 0.33 -0.61 0.93 -0.51 -0.69 0.00 0.00 174.62 174.07 1k28 s ILE 200 N -3.52 0.00 0.00 1.82 2.07 -0.30 -1.12 121.20 120.14 1k28 s ILE 200 Ca 0.20 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1k28 s ILE 200 Cb 0.05 -2.84 0.00 0.00 0.13 0.00 0.00 42.46 39.80 1k28 s ILE 200 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1k28 n GLY 201 N -0.62 1.98 2.17 1.50 0.00 0.05 0.02 105.19 110.29 1k28 n GLY 201 Ca -0.05 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1k28 n GLY 201 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k28 n ILE 202 N 0.00 3.49 -2.36 -0.61 5.41 -1.26 -2.29 119.36 121.74 1k28 n ILE 202 Ca 0.00 -2.12 -0.07 0.00 1.00 0.00 0.00 62.75 61.56 1k28 n ILE 202 Cb 0.00 -2.10 0.03 0.00 -0.71 0.00 0.00 39.64 36.87 1k28 n ILE 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1k28 n GLY 203 N 2.49 -0.01 3.29 7.39 0.00 -1.09 -4.80 105.19 112.46 1k28 n GLY 203 Ca 0.53 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 1k28 n GLY 203 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k28 s HIS 204 N -3.17 3.00 0.01 1.61 5.04 0.10 -4.93 115.29 116.95 1k28 s HIS 204 Ca 0.17 -1.07 -0.30 0.00 -1.54 0.00 0.00 55.06 52.32 1k28 s HIS 204 Cb -0.02 -2.11 -0.05 0.00 0.04 0.00 0.00 32.58 30.44 1k28 s HIS 204 CO 0.33 -0.59 1.25 -1.17 -2.34 0.00 0.00 174.74 172.23 1k28 s LEU 205 N 1.45 4.33 -0.10 8.88 2.96 -1.26 -1.15 118.68 133.79 1k28 s LEU 205 Ca 0.04 1.99 -0.21 0.00 -0.22 0.00 0.00 54.13 55.73 1k28 s LEU 205 Cb -0.15 -3.57 -0.28 0.00 0.50 0.00 0.00 46.19 42.69 1k28 s LEU 205 CO -0.03 -0.57 0.71 0.40 -1.32 0.00 0.00 176.35 175.54 1k28 h ILE 206 N 4.74 1.37 -2.22 6.68 2.04 -1.62 -3.47 117.51 125.04 1k28 h ILE 206 Ca -0.38 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.04 1k28 h ILE 206 Cb 1.19 3.01 -0.23 0.00 -0.74 0.00 0.00 36.82 40.05 1k28 h ILE 206 CO 0.86 0.66 -0.19 0.00 0.00 0.00 0.00 178.15 179.47 1k28 s MET 207 N -2.40 0.51 -0.74 2.37 0.23 -1.26 -4.93 119.30 113.09 1k28 s MET 207 Ca -0.18 1.21 -0.12 0.00 -1.03 0.00 0.00 55.69 55.57 1k28 s MET 207 Cb 0.02 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.68 1k28 s MET 207 CO 0.76 -0.20 1.92 1.17 -2.03 0.00 0.00 175.02 176.64 1k28 n LYS 208 N 5.06 1.59 -3.67 3.16 4.81 -1.26 -4.32 118.16 123.52 1k28 n LYS 208 Ca -0.14 -1.50 -0.14 0.00 -0.87 0.00 0.00 58.31 55.66 1k28 n LYS 208 Cb 0.52 -2.59 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1k28 n LYS 208 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1k28 s GLN 209 N 4.31 0.71 -1.02 1.64 2.00 -1.26 -5.06 119.66 120.98 1k28 s GLN 209 Ca 0.44 0.56 -0.11 0.00 -2.00 0.00 0.00 55.36 54.25 1k28 s GLN 209 Cb 0.11 0.34 -0.07 0.00 0.80 0.00 0.00 33.01 34.19 1k28 s GLN 209 CO 0.04 -0.13 2.19 -0.35 -0.50 0.00 0.00 175.29 176.54 1k28 n PRO 210 N 2.29 2.22 -3.37 1.67 -0.04 -1.26 -4.27 135.00 132.24 1k28 n PRO 210 Ca -0.15 -1.76 -0.39 0.00 -0.04 0.00 0.00 63.50 61.16 1k28 n PRO 210 Cb 0.56 -2.69 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 1k28 n PRO 210 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k28 s VAL 211 N 3.63 5.17 -0.10 0.52 1.01 -1.26 -4.93 120.40 124.44 1k28 s VAL 211 Ca 0.49 0.69 0.15 0.00 0.00 0.00 0.00 61.98 63.31 1k28 s VAL 211 Cb 0.13 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.55 1k28 s VAL 211 CO -0.00 0.20 0.19 -1.14 0.00 0.00 0.00 175.10 174.35 1k28 n ARG 212 N 4.90 1.03 -1.61 2.72 3.00 -1.26 -4.46 116.66 120.98 1k28 n ARG 212 Ca -0.08 -0.07 -0.44 0.00 -0.00 0.00 0.00 57.85 57.26 1k28 n ARG 212 Cb 0.51 -1.40 -0.04 0.00 0.00 0.00 0.00 32.46 31.53 1k28 n ARG 212 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1k28 n ASP 213 N -2.36 3.43 0.27 6.15 2.03 -1.26 -4.83 116.55 119.98 1k28 n ASP 213 Ca -0.16 0.52 0.18 0.00 0.52 0.00 0.00 54.79 55.85 1k28 n ASP 213 Cb 0.76 -1.50 0.84 0.00 -0.72 0.00 0.00 41.12 40.50 1k28 n ASP 213 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1k28 h MET 214 N 12.81 0.00 0.34 -0.67 1.85 -1.92 -3.10 114.93 124.24 1k28 h MET 214 Ca -0.43 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.64 1k28 h MET 214 Cb 1.25 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.29 1k28 h MET 214 CO 0.96 0.00 -0.16 0.00 -0.40 0.00 0.00 176.91 177.31 1k28 h ALA 215 N 2.03 -0.46 -0.76 0.39 0.00 -1.94 -1.26 119.26 117.27 1k28 h ALA 215 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k28 h ALA 215 Cb 0.27 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1k28 h ALA 215 CO 0.00 -0.62 0.45 1.96 0.00 0.00 0.00 179.25 181.04 1k28 h GLN 216 N -0.74 1.04 0.22 0.00 4.20 -1.96 -1.92 115.11 115.94 1k28 h GLN 216 Ca -0.05 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1k28 h GLN 216 Cb 0.50 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1k28 h GLN 216 CO 0.08 0.74 -0.24 0.82 -0.67 0.00 0.00 178.83 179.56 1k28 h ILE 217 N 1.04 0.49 -0.91 2.54 2.04 -1.49 -1.29 117.51 119.93 1k28 h ILE 217 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.17 1k28 h ILE 217 Cb -0.02 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1k28 h ILE 217 CO -0.05 0.00 0.60 0.78 0.00 0.00 0.00 178.15 179.48 1k28 h ASN 218 N -0.50 0.96 0.20 1.72 2.35 -1.11 0.12 115.58 119.32 1k28 h ASN 218 Ca 0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1k28 h ASN 218 Cb 0.47 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1k28 h ASN 218 CO -0.07 0.65 -0.53 0.50 -1.65 0.00 0.00 177.43 176.33 1k28 h LYS 219 N 1.11 -0.78 -0.66 0.81 3.64 -0.72 0.39 116.57 120.37 1k28 h LYS 219 Ca 0.37 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.75 1k28 h LYS 219 Cb 0.07 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1k28 h LYS 219 CO -0.12 -0.52 0.21 0.28 -2.27 0.00 0.00 179.45 177.03 1k28 h VAL 220 N -0.81 1.24 -0.41 2.00 2.07 -0.74 -2.65 116.25 116.95 1k28 h VAL 220 Ca -0.02 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 1k28 h VAL 220 Cb 0.78 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1k28 h VAL 220 CO -0.24 0.32 -0.15 0.25 0.02 0.00 0.00 177.57 177.76 1k28 h LEU 221 N 0.97 0.76 -2.03 2.57 7.12 -0.40 -2.11 115.31 122.19 1k28 h LEU 221 Ca 0.22 -0.24 0.04 0.00 0.13 0.00 0.00 57.88 58.03 1k28 h LEU 221 Cb 0.27 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1k28 h LEU 221 CO -0.01 0.92 0.11 0.28 -0.13 0.00 0.00 178.44 179.62 1k28 h SER 222 N 0.68 0.00 0.33 1.25 0.02 0.14 -0.36 113.55 115.61 1k28 h SER 222 Ca 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1k28 h SER 222 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1k28 h SER 222 CO 0.05 0.00 -0.16 0.11 -1.14 0.00 0.00 176.83 175.69 1k28 h LYS 223 N 0.00 -0.42 -1.00 3.45 1.57 -1.28 0.17 116.57 119.05 1k28 h LYS 223 Ca 0.07 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 1k28 h LYS 223 Cb 0.30 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 1k28 h LYS 223 CO -0.00 -0.28 0.61 1.96 -0.57 0.00 0.00 179.45 181.17 1k28 h GLN 224 N -1.01 0.66 0.00 3.15 4.20 -1.03 0.22 115.11 121.30 1k28 h GLN 224 Ca -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1k28 h GLN 224 Cb 0.34 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1k28 h GLN 224 CO 0.07 0.44 -1.06 1.55 -0.67 0.00 0.00 178.83 179.16 1k28 n VAL 225 N -4.79 0.30 -2.48 -0.54 3.14 -0.18 -5.00 118.33 108.77 1k28 n VAL 225 Ca 0.25 -0.36 -0.08 0.00 -2.96 0.00 0.00 64.34 61.19 1k28 n VAL 225 Cb 0.65 -0.01 0.04 0.00 -1.06 0.00 0.00 33.84 33.46 1k28 n VAL 225 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k28 n GLY 226 N 1.30 -0.06 3.62 7.55 0.00 0.06 -5.05 105.19 112.62 1k28 n GLY 226 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1k28 n GLY 226 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k28 s ARG 227 N -4.02 0.23 -0.28 1.61 3.52 -0.33 -5.04 118.95 114.64 1k28 s ARG 227 Ca 0.15 0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 1k28 s ARG 227 Cb -0.02 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1k28 s ARG 227 CO 0.36 -0.07 1.34 -2.00 -0.81 0.00 0.00 175.30 174.13 1k28 s GLU 228 N -0.92 3.91 0.18 5.12 2.12 -1.26 -4.17 118.70 123.68 1k28 s GLU 228 Ca 0.05 1.31 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 1k28 s GLU 228 Cb -0.01 -3.90 -0.08 0.00 0.26 0.00 0.00 34.13 30.40 1k28 s GLU 228 CO -0.06 -1.13 0.72 0.42 -0.54 0.00 0.00 175.26 174.67 1k28 s ILE 229 N 4.45 4.52 0.00 -3.70 -1.09 -1.26 -5.03 121.20 119.08 1k28 s ILE 229 Ca 0.58 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 1k28 s ILE 229 Cb -0.18 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1k28 s ILE 229 CO 0.24 0.38 0.00 0.35 -1.23 0.00 0.00 174.94 174.68 1k28 n THR 230 N 1.20 0.00 -1.04 2.92 -2.24 -1.26 -4.84 114.28 109.03 1k28 n THR 230 Ca -0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1k28 n THR 230 Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1k28 n THR 230 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k28 n GLY 231 N 1.77 -3.52 0.00 3.38 0.00 -1.26 -3.95 105.19 101.60 1k28 n GLY 231 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1k28 n GLY 231 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k28 n ASN 232 N -2.62 0.00 -4.54 1.61 2.85 -1.26 -3.68 115.26 107.62 1k28 n ASN 232 Ca -0.02 0.06 -0.43 0.00 -0.11 0.00 0.00 54.58 54.09 1k28 n ASN 232 Cb 0.37 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.34 1k28 n ASN 232 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1k28 n PRO 233 N -0.08 1.35 -1.73 1.20 -0.04 -1.26 -4.76 135.00 129.69 1k28 n PRO 233 Ca 0.00 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 1k28 n PRO 233 Cb 0.00 -3.02 -0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1k28 n PRO 233 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k28 n GLY 234 N 6.08 0.80 3.28 0.55 0.00 -1.24 -4.65 105.19 110.01 1k28 n GLY 234 Ca 0.37 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.42 1k28 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k28 s SER 235 N -0.26 2.70 0.23 1.61 1.04 -1.25 -1.35 113.70 116.41 1k28 s SER 235 Ca 0.55 -0.54 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1k28 s SER 235 Cb -0.53 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.31 1k28 s SER 235 CO 0.63 0.19 -0.19 -0.63 0.98 0.00 0.00 173.24 174.22 1k28 s ILE 236 N -0.79 2.19 0.46 -1.02 1.01 -0.94 -4.79 121.20 117.32 1k28 s ILE 236 Ca 0.09 -2.24 0.01 0.00 0.00 0.00 0.00 60.65 58.51 1k28 s ILE 236 Cb -0.09 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1k28 s ILE 236 CO 0.02 -0.40 0.67 0.42 0.00 0.00 0.00 174.94 175.65 1k28 s THR 237 N -2.44 3.68 0.21 2.92 -4.23 -1.26 -4.77 115.64 109.74 1k28 s THR 237 Ca 0.25 -0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 60.06 1k28 s THR 237 Cb -0.04 -3.35 0.17 0.00 1.34 0.00 0.00 72.50 70.61 1k28 s THR 237 CO 0.11 -0.23 1.69 0.24 -0.54 0.00 0.00 174.62 175.89 1k28 h MET 238 N 0.38 0.19 -0.38 3.99 2.86 -1.98 0.63 114.93 120.62 1k28 h MET 238 Ca -0.45 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.07 1k28 h MET 238 Cb 1.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1k28 h MET 238 CO 0.55 0.13 -0.23 0.93 1.06 0.00 0.00 176.91 179.35 1k28 h GLU 239 N 0.20 0.74 -0.28 1.72 3.07 -2.00 -2.36 114.58 115.68 1k28 h GLU 239 Ca 0.31 -0.30 -0.17 0.00 -0.50 0.00 0.00 59.36 58.70 1k28 h GLU 239 Cb 0.48 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1k28 h GLU 239 CO -0.44 0.90 -0.51 0.93 -1.40 0.00 0.00 179.01 178.49 1k28 h GLU 240 N 0.65 0.80 -0.40 2.33 5.08 -1.59 -2.09 114.58 119.35 1k28 h GLU 240 Ca 0.09 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1k28 h GLU 240 Cb 0.73 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1k28 h GLU 240 CO 0.06 1.11 0.26 0.00 -1.00 0.00 0.00 179.01 179.44 1k28 h ALA 241 N 0.79 0.51 0.39 3.43 0.00 0.37 -1.34 119.26 123.41 1k28 h ALA 241 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1k28 h ALA 241 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1k28 h ALA 241 CO 0.11 -0.04 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 1k28 h THR 242 N 0.53 0.51 -0.96 0.00 1.03 -1.40 -2.12 112.91 110.50 1k28 h THR 242 Ca 0.15 -0.58 0.22 0.00 -0.01 0.00 0.00 66.41 66.19 1k28 h THR 242 Cb -0.05 0.75 -0.12 0.00 -1.07 0.00 0.00 68.15 67.66 1k28 h THR 242 CO -0.04 0.09 0.53 0.71 -0.01 0.00 0.00 175.52 176.80 1k28 h THR 243 N -0.90 0.58 -0.86 0.00 1.35 -1.35 1.43 112.91 113.15 1k28 h THR 243 Ca -0.05 -0.20 0.05 0.00 -0.55 0.00 0.00 66.41 65.66 1k28 h THR 243 Cb 0.55 -0.05 -0.05 0.00 -1.73 0.00 0.00 68.15 66.86 1k28 h THR 243 CO 0.09 0.11 0.56 -0.07 -0.25 0.00 0.00 175.52 175.95 1k28 h LEU 244 N 0.58 0.87 -0.10 3.87 3.38 -1.14 -1.97 115.31 120.79 1k28 h LEU 244 Ca 0.59 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.52 1k28 h LEU 244 Cb 1.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1k28 h LEU 244 CO -0.46 0.58 -0.09 0.15 0.09 0.00 0.00 178.44 178.71 1k28 h PHE 245 N 1.00 0.29 -0.29 1.13 -0.00 0.24 -0.99 116.94 118.32 1k28 h PHE 245 Ca 0.36 -0.08 0.06 0.00 -0.00 0.00 0.00 57.97 58.30 1k28 h PHE 245 Cb 0.14 -0.06 -0.08 0.00 -0.00 0.00 0.00 35.95 35.95 1k28 h PHE 245 CO -0.00 0.66 -0.39 0.93 -0.00 0.00 0.00 178.31 179.51 1k28 h GLU 246 N -0.17 -0.35 0.57 1.11 4.39 0.09 0.74 114.58 120.95 1k28 h GLU 246 Ca 0.02 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1k28 h GLU 246 Cb 0.61 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1k28 h GLU 246 CO 0.02 -0.24 -0.42 -0.09 -1.16 0.00 0.00 179.01 177.13 1k28 h ARG 247 N -0.37 -0.91 -0.89 2.33 9.65 -1.40 0.40 114.38 123.19 1k28 h ARG 247 Ca 0.12 0.06 0.23 0.00 -1.10 0.00 0.00 59.98 59.29 1k28 h ARG 247 Cb 0.58 0.21 -0.13 0.00 -1.39 0.00 0.00 29.97 29.24 1k28 h ARG 247 CO -0.49 -0.61 0.34 -0.44 2.80 0.00 0.00 179.97 181.57 1k28 h ASP 248 N -0.95 0.21 0.14 -3.80 3.32 -0.76 -1.24 116.42 113.35 1k28 h ASP 248 Ca -0.07 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1k28 h ASP 248 Cb 0.78 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1k28 h ASP 248 CO 0.03 -0.07 -0.07 0.25 -1.72 0.00 0.00 179.24 177.66 1k28 h LEU 249 N 0.32 -0.16 -0.97 1.55 5.85 0.88 -2.99 115.31 119.78 1k28 h LEU 249 Ca 0.56 -0.33 0.14 0.00 0.84 0.00 0.00 57.88 59.09 1k28 h LEU 249 Cb 1.11 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 1k28 h LEU 249 CO -0.58 0.28 0.58 0.00 -0.34 0.00 0.00 178.44 178.38 1k28 h ALA 250 N 0.09 1.49 -0.22 1.25 0.00 0.47 -1.75 119.26 120.60 1k28 h ALA 250 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k28 h ALA 250 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1k28 h ALA 250 CO 0.03 0.10 0.12 -0.44 0.00 0.00 0.00 179.25 179.06 1k28 h ASP 251 N 0.86 0.28 0.15 0.00 5.19 -1.30 -2.88 116.42 118.72 1k28 h ASP 251 Ca 0.51 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.84 1k28 h ASP 251 Cb 0.61 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 1k28 h ASP 251 CO -0.31 0.29 -0.43 -0.03 -3.12 0.00 0.00 179.24 175.64 1k28 h MET 252 N 0.24 -0.66 0.00 3.56 4.05 -1.18 0.73 114.93 121.67 1k28 h MET 252 Ca 0.08 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1k28 h MET 252 Cb 0.08 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1k28 h MET 252 CO -0.01 -0.44 0.01 1.04 0.23 0.00 0.00 176.91 177.74 1k28 n GLN 253 N -5.47 0.00 0.00 0.39 6.02 -0.96 -1.86 117.38 115.50 1k28 n GLN 253 Ca -0.08 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1k28 n GLN 253 Cb 0.39 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1k28 n GLN 253 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1k28 n ARG 254 N -1.33 0.00 -0.25 -1.09 0.63 0.14 -4.12 116.66 110.64 1k28 n ARG 254 Ca 0.00 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.10 1k28 n ARG 254 Cb 0.01 -0.16 0.33 0.00 0.45 0.00 0.00 32.46 33.08 1k28 n ARG 254 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1k28 n ASP 255 N -1.01 0.07 0.04 6.15 10.43 -0.55 -0.99 116.55 130.69 1k28 n ASP 255 Ca 0.00 1.28 -0.12 0.00 2.57 0.00 0.00 54.79 58.51 1k28 n ASP 255 Cb 0.00 -0.54 -0.08 0.00 1.84 0.00 0.00 41.12 42.34 1k28 n ASP 255 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1k28 h ILE 256 N 0.00 1.07 -0.71 0.53 2.10 -1.61 -0.94 117.51 117.95 1k28 h ILE 256 Ca 0.55 -0.30 -0.05 0.00 1.08 0.00 0.00 64.86 66.14 1k28 h ILE 256 Cb 1.30 1.27 -0.03 0.00 -1.09 0.00 0.00 36.82 38.27 1k28 h ILE 256 CO -0.66 0.08 0.24 0.11 -1.08 0.00 0.00 178.15 176.84 1k28 h LYS 257 N -0.16 1.07 -0.20 2.19 1.57 -1.22 -2.64 116.57 117.18 1k28 h LYS 257 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1k28 h LYS 257 Cb 0.15 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1k28 h LYS 257 CO 0.01 0.90 0.00 -1.13 -0.57 0.00 0.00 179.45 178.66 1k28 n SER 258 N -4.27 1.59 -4.80 0.86 3.41 -1.05 -4.55 113.62 104.81 1k28 n SER 258 Ca 0.06 -1.77 -0.35 0.00 -0.26 0.00 0.00 58.87 56.54 1k28 n SER 258 Cb 0.21 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1k28 n SER 258 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1k28 s HIS 259 N -1.74 3.35 -0.04 7.33 5.04 -0.36 -4.97 115.29 123.91 1k28 s HIS 259 Ca 0.29 1.66 -0.22 0.00 -1.54 0.00 0.00 55.06 55.25 1k28 s HIS 259 Cb 0.15 -2.97 -0.16 0.00 0.04 0.00 0.00 32.58 29.64 1k28 s HIS 259 CO 0.23 -0.27 0.95 0.66 -2.34 0.00 0.00 174.74 173.97 1k28 h SER 260 N 2.35 -0.21 0.06 9.88 4.64 -1.89 -2.76 113.55 125.62 1k28 h SER 260 Ca -0.48 -0.32 -0.16 0.00 -0.47 0.00 0.00 61.79 60.35 1k28 h SER 260 Cb 1.20 0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1k28 h SER 260 CO 0.62 0.31 -0.66 0.50 -0.87 0.00 0.00 176.83 176.72 1k28 h LYS 261 N -0.83 0.35 0.04 4.77 3.64 -1.96 -3.37 116.57 119.20 1k28 h LYS 261 Ca -0.03 -0.45 -0.25 0.00 -1.27 0.00 0.00 60.65 58.65 1k28 h LYS 261 Cb 0.52 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1k28 h LYS 261 CO 0.04 1.15 -1.25 0.28 -2.27 0.00 0.00 179.45 177.41 1k28 h VAL 262 N -0.25 1.44 -0.21 2.00 2.07 -1.87 -3.37 116.25 116.07 1k28 h VAL 262 Ca -0.10 -3.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.26 1k28 h VAL 262 Cb 1.43 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1k28 h VAL 262 CO 0.13 0.85 0.07 1.23 0.02 0.00 0.00 177.57 179.87 1k28 h GLY 263 N 2.70 0.34 0.95 2.17 0.00 -1.31 0.68 103.07 108.60 1k28 h GLY 263 Ca -0.11 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1k28 h GLY 263 CO 0.14 0.19 0.62 -0.56 0.00 0.00 0.00 176.54 176.92 1k28 h PRO 264 N 0.16 1.16 -0.30 4.80 0.13 -1.74 0.16 132.00 136.37 1k28 h PRO 264 Ca 0.07 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1k28 h PRO 264 Cb 0.23 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1k28 h PRO 264 CO -0.00 0.77 0.12 0.28 -0.23 0.00 0.00 178.00 178.94 1k28 h VAL 265 N 1.20 1.18 -0.64 1.56 2.07 -1.67 0.99 116.25 120.93 1k28 h VAL 265 Ca 0.37 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1k28 h VAL 265 Cb 0.00 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1k28 h VAL 265 CO -0.11 0.19 0.32 -0.25 0.02 0.00 0.00 177.57 177.74 1k28 h TRP 266 N 0.34 0.58 -0.18 1.57 7.01 0.29 -1.19 115.95 124.37 1k28 h TRP 266 Ca 0.10 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.99 1k28 h TRP 266 Cb 0.17 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1k28 h TRP 266 CO -0.01 0.24 -0.48 0.37 -2.79 0.00 0.00 178.44 175.78 1k28 h GLN 267 N 0.58 0.48 0.18 2.65 5.75 -0.41 -3.29 115.11 121.06 1k28 h GLN 267 Ca 0.30 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1k28 h GLN 267 Cb 0.26 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1k28 h GLN 267 CO -0.22 0.85 -0.09 0.00 -2.65 0.00 0.00 178.83 176.73 1k28 h ALA 268 N 1.10 -0.24 -2.48 3.38 0.00 -0.26 -3.46 119.26 117.29 1k28 h ALA 268 Ca 0.02 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 1k28 h ALA 268 Cb 0.98 0.09 0.15 0.00 0.00 0.00 0.00 17.79 19.02 1k28 h ALA 268 CO 0.09 -0.43 0.33 0.14 0.00 0.00 0.00 179.25 179.39 1k28 s VAL 269 N -4.41 2.56 1.14 0.00 -7.23 -0.50 -5.03 120.40 106.93 1k28 s VAL 269 Ca -0.14 0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.12 1k28 s VAL 269 Cb 0.02 -2.64 0.22 0.00 0.56 0.00 0.00 36.38 34.54 1k28 s VAL 269 CO 0.58 -0.19 0.72 -3.20 -0.31 0.00 0.00 175.10 172.70 1k28 n ASN 270 N -3.19 -1.81 0.29 4.85 4.05 -1.26 -4.60 115.26 113.60 1k28 n ASN 270 Ca 0.12 -0.10 -0.13 0.00 0.45 0.00 0.00 54.58 54.92 1k28 n ASN 270 Cb 0.51 -1.19 -0.07 0.00 1.23 0.00 0.00 39.78 40.27 1k28 n ASN 270 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1k28 h ARG 271 N -2.43 -0.75 -0.99 1.20 9.65 -1.83 1.24 114.38 120.47 1k28 h ARG 271 Ca -0.58 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 58.55 1k28 h ARG 271 Cb 1.33 0.17 -0.11 0.00 -1.39 0.00 0.00 29.97 29.98 1k28 h ARG 271 CO 0.45 -0.46 0.58 0.77 2.80 0.00 0.00 179.97 184.11 1k28 h SER 272 N -1.14 0.73 0.36 -3.80 0.02 -1.81 1.10 113.55 109.01 1k28 h SER 272 Ca -0.08 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1k28 h SER 272 Cb 0.64 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1k28 h SER 272 CO 0.13 0.24 -0.51 0.03 -1.14 0.00 0.00 176.83 175.58 1k28 h ARG 273 N 0.71 0.17 -0.36 3.45 3.08 -1.81 -2.40 114.38 117.22 1k28 h ARG 273 Ca 0.58 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.50 1k28 h ARG 273 Cb 0.92 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1k28 h ARG 273 CO -0.40 0.64 0.11 0.37 -1.07 0.00 0.00 179.97 179.62 1k28 h GLN 274 N 0.13 0.56 -0.35 0.04 4.15 0.96 -2.44 115.11 118.15 1k28 h GLN 274 Ca 0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1k28 h GLN 274 Cb 0.94 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1k28 h GLN 274 CO 0.07 0.58 0.15 0.52 -1.93 0.00 0.00 178.83 178.23 1k28 h MET 275 N 0.43 0.48 -0.52 1.69 2.86 0.08 -2.06 114.93 117.88 1k28 h MET 275 Ca 0.11 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1k28 h MET 275 Cb 0.26 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1k28 h MET 275 CO -0.00 0.39 0.32 0.00 1.06 0.00 0.00 176.91 178.68 1k28 h ALA 276 N 1.69 0.67 -0.30 6.32 0.00 -0.95 0.63 119.26 127.31 1k28 h ALA 276 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1k28 h ALA 276 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1k28 h ALA 276 CO -0.02 0.05 -0.11 -0.07 0.00 0.00 0.00 179.25 179.10 1k28 h LEU 277 N 0.65 0.62 -0.61 0.00 3.38 -1.20 -1.86 115.31 116.30 1k28 h LEU 277 Ca 0.21 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1k28 h LEU 277 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1k28 h LEU 277 CO -0.08 0.87 0.35 -0.33 0.09 0.00 0.00 178.44 179.34 1k28 h GLU 278 N 0.37 0.84 0.10 1.13 5.08 -1.21 0.37 114.58 121.24 1k28 h GLU 278 Ca 0.07 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1k28 h GLU 278 Cb 0.61 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1k28 h GLU 278 CO 0.04 0.62 -0.25 -0.97 -1.00 0.00 0.00 179.01 177.44 1k28 h ASN 279 N 0.82 -0.72 -0.85 1.42 -0.73 -0.76 1.14 115.58 115.90 1k28 h ASN 279 Ca 0.22 0.09 0.10 0.00 1.87 0.00 0.00 56.30 58.58 1k28 h ASN 279 Cb 0.01 0.28 -0.08 0.00 0.27 0.00 0.00 38.32 38.80 1k28 h ASN 279 CO -0.04 -0.34 0.49 0.24 -0.37 0.00 0.00 177.43 177.42 1k28 h MET 280 N -0.45 0.78 -0.13 6.67 2.86 -0.94 -1.85 114.93 121.88 1k28 h MET 280 Ca 0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1k28 h MET 280 Cb 0.48 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1k28 h MET 280 CO -0.16 0.52 0.08 0.00 1.06 0.00 0.00 176.91 178.41 1k28 h ALA 281 N 1.48 0.16 -0.01 6.32 0.00 0.19 0.14 119.26 127.53 1k28 h ALA 281 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1k28 h ALA 281 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k28 h ALA 281 CO -0.26 -0.33 0.02 0.35 0.00 0.00 0.00 179.25 179.03 1k28 h PHE 282 N 0.15 0.00 0.00 0.00 3.57 0.19 0.77 116.94 121.63 1k28 h PHE 282 Ca 0.05 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1k28 h PHE 282 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1k28 h PHE 282 CO -0.06 0.00 -0.77 0.94 -2.23 0.00 0.00 178.31 176.19 1k28 n GLN 283 N -3.62 0.49 0.00 1.11 7.27 -0.65 -4.63 117.38 117.34 1k28 n GLN 283 Ca -0.03 0.52 0.09 0.00 0.07 0.00 0.00 57.00 57.66 1k28 n GLN 283 Cb 0.10 -1.69 -0.03 0.00 2.41 0.00 0.00 30.24 31.03 1k28 n GLN 283 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k28 n MET 284 N -4.55 1.31 0.00 3.69 0.00 0.40 -5.08 117.12 112.88 1k28 n MET 284 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 57.70 56.91 1k28 n MET 284 Cb 0.40 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1k28 n MET 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k28 n GLY 285 N 1.33 -0.48 0.51 3.17 0.00 0.27 -3.94 105.19 106.04 1k28 n GLY 285 Ca 0.07 -1.26 0.31 0.00 0.00 0.00 0.00 46.02 45.13 1k28 n GLY 285 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1k28 h VAL 286 N 0.00 0.23 0.00 1.61 3.04 -1.88 0.77 116.25 120.01 1k28 h VAL 286 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1k28 h VAL 286 Cb 0.00 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 1k28 h VAL 286 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 1k28 n GLY 287 N -1.69 -2.71 0.39 3.17 0.00 -1.26 -3.02 105.19 100.07 1k28 n GLY 287 Ca 0.22 0.02 0.27 0.00 0.00 0.00 0.00 46.02 46.53 1k28 n GLY 287 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k28 h GLY 288 N 0.00 1.58 1.03 -0.02 0.00 -0.99 0.60 103.07 105.27 1k28 h GLY 288 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.21 1k28 h GLY 288 CO 0.00 -0.34 0.45 -2.08 0.00 0.00 0.00 176.54 174.57 1k28 h VAL 289 N 0.29 0.97 0.00 4.60 2.07 -1.42 0.81 116.25 123.57 1k28 h VAL 289 Ca 0.71 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1k28 h VAL 289 Cb 1.85 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1k28 h VAL 289 CO -0.45 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.25 1k28 n ALA 290 N -2.47 1.40 1.01 1.67 0.00 0.20 -1.49 120.51 120.83 1k28 n ALA 290 Ca 0.10 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1k28 n ALA 290 Cb 0.29 -1.08 0.48 0.00 0.00 0.00 0.00 19.45 19.13 1k28 n ALA 290 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k28 n LYS 291 N -1.33 0.02 -1.93 0.00 5.02 0.28 -4.11 118.16 116.11 1k28 n LYS 291 Ca 0.02 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1k28 n LYS 291 Cb 0.04 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1k28 n LYS 291 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1k28 n PHE 292 N -1.49 2.37 0.13 2.13 3.01 -0.55 -4.76 117.46 118.30 1k28 n PHE 292 Ca 0.07 -2.56 -0.13 0.00 1.01 0.00 0.00 57.45 55.83 1k28 n PHE 292 Cb 0.34 -1.64 -0.06 0.00 -0.01 0.00 0.00 39.48 38.10 1k28 n PHE 292 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1k28 h ASN 293 N 4.12 -0.69 -0.85 4.37 -1.07 -1.83 1.03 115.58 120.66 1k28 h ASN 293 Ca 0.61 0.08 0.15 0.00 0.07 0.00 0.00 56.30 57.20 1k28 h ASN 293 Cb 0.40 0.26 -0.09 0.00 -2.07 0.00 0.00 38.32 36.81 1k28 h ASN 293 CO 1.30 -0.34 0.43 0.74 0.07 0.00 0.00 177.43 179.63 1k28 h THR 294 N -0.47 0.72 -0.09 6.14 2.02 -1.96 1.03 112.91 120.30 1k28 h THR 294 Ca 0.02 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1k28 h THR 294 Cb 0.48 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1k28 h THR 294 CO -0.12 0.11 -0.26 -0.03 0.37 0.00 0.00 175.52 175.59 1k28 h MET 295 N 0.61 0.34 0.06 6.66 1.85 -1.69 -2.35 114.93 120.40 1k28 h MET 295 Ca 0.46 -0.24 -0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1k28 h MET 295 Cb 0.66 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.73 1k28 h MET 295 CO -0.37 0.86 -0.03 -0.07 -0.40 0.00 0.00 176.91 176.91 1k28 h LEU 296 N -0.12 -0.06 -0.01 3.39 4.07 0.20 0.71 115.31 123.48 1k28 h LEU 296 Ca -0.01 -0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1k28 h LEU 296 Cb 0.88 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 1k28 h LEU 296 CO 0.06 0.01 -0.44 0.74 -1.08 0.00 0.00 178.44 177.73 1k28 h THR 297 N -0.14 0.00 -0.50 0.22 2.02 0.10 0.69 112.91 115.30 1k28 h THR 297 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1k28 h THR 297 Cb 0.12 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1k28 h THR 297 CO 0.01 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.24 1k28 h ALA 298 N -0.63 1.89 -0.14 6.16 0.00 -1.37 0.17 119.26 125.34 1k28 h ALA 298 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1k28 h ALA 298 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1k28 h ALA 298 CO -0.29 0.02 -0.27 1.98 0.00 0.00 0.00 179.25 180.68 1k28 h MET 299 N 0.45 0.26 0.63 0.00 -1.53 0.24 -0.62 114.93 114.37 1k28 h MET 299 Ca 0.22 -0.09 -0.03 0.00 -3.44 0.00 0.00 59.70 56.36 1k28 h MET 299 Cb 0.29 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.32 1k28 h MET 299 CO -0.06 0.52 -0.30 1.25 0.14 0.00 0.00 176.91 178.46 1k28 h LEU 300 N 0.23 -0.72 0.00 3.39 7.12 0.16 -2.88 115.31 122.61 1k28 h LEU 300 Ca 0.04 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1k28 h LEU 300 Cb 0.61 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1k28 h LEU 300 CO 0.04 -0.38 0.00 0.00 -0.13 0.00 0.00 178.44 177.97 1k28 n ALA 301 N -2.63 1.37 -0.93 1.25 0.00 -0.67 -4.75 120.51 114.15 1k28 n ALA 301 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1k28 n ALA 301 Cb 0.34 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1k28 n ALA 301 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k28 n GLY 302 N -0.67 0.39 3.55 0.00 0.00 -0.97 -4.93 105.19 102.58 1k28 n GLY 302 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1k28 n GLY 302 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k28 s ASP 303 N -2.20 6.83 0.14 1.61 3.68 -0.28 -4.84 116.67 121.62 1k28 s ASP 303 Ca 0.00 -2.41 -0.18 0.00 2.13 0.00 0.00 52.55 52.09 1k28 s ASP 303 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 1k28 s ASP 303 CO 0.00 -1.13 1.76 -0.50 0.13 0.00 0.00 175.17 175.44 1k28 h TRP 304 N 7.83 0.24 -0.73 -5.34 -0.00 -1.90 -0.53 115.95 115.53 1k28 h TRP 304 Ca 0.38 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.28 1k28 h TRP 304 Cb 0.89 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.95 1k28 h TRP 304 CO 1.34 0.13 0.44 0.93 -0.00 0.00 0.00 178.44 181.27 1k28 h GLU 305 N 0.28 0.98 -0.31 0.49 5.08 -1.88 0.74 114.58 119.97 1k28 h GLU 305 Ca 0.13 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1k28 h GLU 305 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1k28 h GLU 305 CO -0.10 0.69 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.36 1k28 h LYS 306 N 1.00 0.56 -0.28 2.33 3.64 -1.86 -2.00 116.57 119.95 1k28 h LYS 306 Ca 0.26 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1k28 h LYS 306 Cb -0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1k28 h LYS 306 CO -0.05 0.70 0.15 0.00 -2.27 0.00 0.00 179.45 177.98 1k28 h ALA 307 N 0.83 0.36 -0.32 5.00 0.00 0.06 -0.80 119.26 124.40 1k28 h ALA 307 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1k28 h ALA 307 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1k28 h ALA 307 CO 0.02 -0.10 -0.01 -0.92 0.00 0.00 0.00 179.25 178.24 1k28 h TYR 308 N 0.34 0.51 -0.09 0.00 5.03 0.47 0.08 116.97 123.32 1k28 h TYR 308 Ca 0.10 -0.05 -0.20 0.00 2.58 0.00 0.00 58.73 61.16 1k28 h TYR 308 Cb 0.08 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.21 1k28 h TYR 308 CO -0.03 0.51 -0.77 -0.22 -1.32 0.00 0.00 178.16 176.33 1k28 h LYS 309 N 0.47 0.50 0.26 1.82 3.64 -1.19 -2.94 116.57 119.14 1k28 h LYS 309 Ca 0.10 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1k28 h LYS 309 Cb 0.32 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1k28 h LYS 309 CO 0.01 1.06 -0.12 0.00 -2.27 0.00 0.00 179.45 178.13 1k28 h ALA 310 N 0.82 -0.35 -0.90 5.00 0.00 -0.60 -1.19 119.26 122.04 1k28 h ALA 310 Ca -0.04 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1k28 h ALA 310 Cb 1.37 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1k28 h ALA 310 CO 0.14 -0.57 0.52 0.78 0.00 0.00 0.00 179.25 180.12 1k28 h GLY 311 N -0.59 1.45 2.00 0.00 0.00 -1.05 -2.50 103.07 102.37 1k28 h GLY 311 Ca -0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1k28 h GLY 311 CO 0.06 0.09 -0.51 3.21 0.00 0.00 0.00 176.54 179.39 1k28 h ARG 312 N 0.82 0.00 -1.73 4.80 3.08 -1.43 -3.26 114.38 116.66 1k28 h ARG 312 Ca 0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.44 1k28 h ARG 312 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1k28 h ARG 312 CO -0.29 0.51 0.09 -3.47 -1.07 0.00 0.00 179.97 175.74 1k28 n ASP 313 N -3.42 5.13 -4.52 7.04 4.64 -0.46 -4.68 116.55 120.29 1k28 n ASP 313 Ca 0.00 -2.48 -0.25 0.00 -1.38 0.00 0.00 54.79 50.69 1k28 n ASP 313 Cb 0.64 -1.01 -0.11 0.00 -1.04 0.00 0.00 41.12 39.61 1k28 n ASP 313 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1k28 s SER 314 N 1.45 3.36 0.31 1.67 1.04 -1.23 -5.02 113.70 115.30 1k28 s SER 314 Ca 0.06 -1.24 0.13 0.00 0.48 0.00 0.00 55.95 55.39 1k28 s SER 314 Cb 0.05 -0.28 0.50 0.00 0.10 0.00 0.00 66.02 66.39 1k28 s SER 314 CO 0.00 -0.32 1.67 0.25 0.98 0.00 0.00 173.24 175.83 1k28 h LEU 315 N 2.06 0.00 0.04 2.42 7.12 -1.90 -2.86 115.31 122.19 1k28 h LEU 315 Ca -0.42 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.59 1k28 h LEU 315 Cb 1.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1k28 h LEU 315 CO 0.71 0.52 -0.02 -0.25 -0.13 0.00 0.00 178.44 179.27 1k28 h TRP 316 N 0.00 -0.05 -0.98 1.25 7.01 -1.94 -2.79 115.95 118.44 1k28 h TRP 316 Ca -0.01 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1k28 h TRP 316 Cb 0.98 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 28.01 1k28 h TRP 316 CO 0.00 0.11 0.65 -0.92 -2.79 0.00 0.00 178.44 175.49 1k28 h TYR 317 N -0.21 1.22 -0.47 2.65 3.20 -1.76 0.53 116.97 122.13 1k28 h TYR 317 Ca -0.01 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1k28 h TYR 317 Cb 0.19 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1k28 h TYR 317 CO -0.02 0.74 0.31 0.37 -1.64 0.00 0.00 178.16 177.92 1k28 h GLN 318 N 1.29 0.49 0.00 1.82 4.15 -1.30 0.58 115.11 122.15 1k28 h GLN 318 Ca 0.37 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1k28 h GLN 318 Cb -0.09 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1k28 h GLN 318 CO -0.10 0.32 -1.02 0.00 -1.93 0.00 0.00 178.83 176.11 1k28 n GLN 319 N -4.48 1.54 0.03 1.69 10.64 -0.96 -4.35 117.38 121.49 1k28 n GLN 319 Ca 0.05 -0.04 0.08 0.00 -1.83 0.00 0.00 57.00 55.25 1k28 n GLN 319 Cb 0.16 -1.26 -0.10 0.00 -0.86 0.00 0.00 30.24 28.19 1k28 n GLN 319 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1k28 n THR 320 N -1.57 0.53 0.00 -0.39 -1.04 0.14 -4.96 114.28 106.99 1k28 n THR 320 Ca 0.01 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1k28 n THR 320 Cb 0.29 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1k28 n THR 320 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1k28 n LYS 321 N -2.55 0.00 0.00 -2.82 5.02 0.18 -2.65 118.16 115.34 1k28 n LYS 321 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1k28 n LYS 321 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1k28 n LYS 321 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k28 n GLY 322 N 0.00 -1.83 0.28 0.72 0.00 -1.25 -1.19 105.19 101.91 1k28 n GLY 322 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 1k28 n GLY 322 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k28 h ARG 323 N 0.00 -0.20 -0.98 1.61 2.43 -1.85 -1.62 114.38 113.77 1k28 h ARG 323 Ca 0.00 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.38 1k28 h ARG 323 Cb 0.00 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 1k28 h ARG 323 CO 0.00 -0.13 0.62 0.00 -1.51 0.00 0.00 179.97 178.94 1k28 h ALA 324 N 0.91 1.84 -0.39 2.80 0.00 -1.25 0.29 119.26 123.47 1k28 h ALA 324 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1k28 h ALA 324 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1k28 h ALA 324 CO -0.46 -0.19 0.13 0.77 0.00 0.00 0.00 179.25 179.50 1k28 h SER 325 N 0.66 0.51 -0.36 0.00 0.02 -0.15 0.17 113.55 114.40 1k28 h SER 325 Ca 0.55 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.38 1k28 h SER 325 Cb 1.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1k28 h SER 325 CO -0.32 0.48 -0.03 0.03 -1.14 0.00 0.00 176.83 175.85 1k28 h ARG 326 N 0.55 0.66 0.09 3.45 3.08 -0.22 -2.04 114.38 119.95 1k28 h ARG 326 Ca 0.13 -0.23 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 1k28 h ARG 326 Cb 0.16 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.18 1k28 h ARG 326 CO -0.01 0.79 -0.86 -0.39 -1.07 0.00 0.00 179.97 178.43 1k28 h VAL 327 N 0.47 1.42 -0.02 2.04 -1.51 -1.17 -2.74 116.25 114.74 1k28 h VAL 327 Ca 0.10 -2.35 0.01 0.00 -1.23 0.00 0.00 66.70 63.22 1k28 h VAL 327 Cb 0.51 2.85 -0.00 0.00 -2.13 0.00 0.00 31.29 32.52 1k28 h VAL 327 CO 0.02 0.69 0.02 0.71 -1.23 0.00 0.00 177.57 177.78 1k28 h THR 328 N -0.10 0.68 -0.05 7.19 1.35 -1.04 0.15 112.91 121.09 1k28 h THR 328 Ca -0.13 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.52 1k28 h THR 328 Cb 1.60 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1k28 h THR 328 CO 0.16 0.00 -0.83 -0.03 -0.25 0.00 0.00 175.52 174.57 1k28 h MET 329 N 0.00 0.46 0.51 4.72 -1.53 -1.32 -2.81 114.93 114.96 1k28 h MET 329 Ca 0.01 -0.42 -0.02 0.00 -3.44 0.00 0.00 59.70 55.83 1k28 h MET 329 Cb 0.05 0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.19 1k28 h MET 329 CO -0.00 1.07 -0.40 0.82 0.14 0.00 0.00 176.91 178.54 1k28 h ILE 330 N 0.29 0.00 -0.97 1.77 1.08 -0.41 -2.44 117.51 116.83 1k28 h ILE 330 Ca -0.06 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.66 1k28 h ILE 330 Cb 1.44 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.06 1k28 h ILE 330 CO 0.15 0.00 0.52 -0.29 -0.69 0.00 0.00 178.15 177.84 1k28 h ILE 331 N -0.88 0.47 0.00 -0.67 2.10 -1.43 0.71 117.51 117.82 1k28 h ILE 331 Ca -0.07 -0.16 -0.01 0.00 1.08 0.00 0.00 64.86 65.70 1k28 h ILE 331 Cb 0.73 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.42 1k28 h ILE 331 CO 0.01 0.09 -0.04 0.25 -1.08 0.00 0.00 178.15 177.37 1k28 h LEU 332 N 0.47 0.00 -0.05 2.19 7.12 -1.20 -3.33 115.31 120.51 1k28 h LEU 332 Ca 0.63 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.64 1k28 h LEU 332 Cb 1.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1k28 h LEU 332 CO -0.52 0.04 0.00 0.35 -0.13 0.00 0.00 178.44 178.18 1k28 n THR 333 N -3.16 0.00 -2.20 1.05 -2.24 0.31 -4.83 114.28 103.20 1k28 n THR 333 Ca 0.01 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 1k28 n THR 333 Cb 0.34 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1k28 n THR 333 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k28 n GLY 334 N 0.77 0.10 3.63 3.38 0.00 0.22 -4.30 105.19 108.99 1k28 n GLY 334 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1k28 n GLY 334 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k28 s ASN 335 N -2.24 3.99 -0.05 1.61 3.04 -1.22 0.35 114.94 120.42 1k28 s ASN 335 Ca 0.00 -1.22 0.07 0.00 0.04 0.00 0.00 52.86 51.75 1k28 s ASN 335 Cb 0.00 -0.42 0.11 0.00 -1.54 0.00 0.00 41.25 39.39 1k28 s ASN 335 CO 0.00 -0.38 1.00 -0.11 -3.04 0.00 0.00 177.10 174.57 1k28 n LEU 336 N -0.98 1.09 0.23 3.21 7.94 -1.26 -4.45 117.00 122.78 1k28 n LEU 336 Ca -0.04 -1.77 0.16 0.00 -1.11 0.00 0.00 56.01 53.24 1k28 n LEU 336 Cb 0.65 -0.16 0.63 0.00 0.53 0.00 0.00 43.42 45.07 1k28 n LEU 336 CO 0.46 0.42 0.95 -0.33 -1.11 0.00 0.00 177.39 177.79 1k28 h GLU 337 N 0.00 0.00 -0.07 1.96 5.08 -1.85 -2.11 114.58 117.59 1k28 h GLU 337 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1k28 h GLU 337 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1k28 h GLU 337 CO 0.00 0.00 0.08 1.03 -1.00 0.00 0.00 179.01 179.12 1k28 h SER 338 N 0.00 0.00 -0.14 1.42 0.87 -1.85 0.43 113.55 114.28 1k28 h SER 338 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1k28 h SER 338 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1k28 h SER 338 CO 0.00 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.08 1k28 n TYR 339 N -3.84 0.15 -0.31 2.24 4.02 -0.82 -4.92 117.16 113.67 1k28 n TYR 339 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1k28 n TYR 339 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1k28 n TYR 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k28 n GLY 340 N 1.38 0.75 3.45 2.72 0.00 0.15 -5.03 105.19 108.62 1k28 n GLY 340 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1k28 n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k28 s VAL 341 N -2.31 4.65 0.14 1.61 1.01 -1.04 -4.75 120.40 119.72 1k28 s VAL 341 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1k28 s VAL 341 Cb 0.00 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1k28 s VAL 341 CO 0.00 -1.05 1.14 -1.61 0.00 0.00 0.00 175.10 173.58 1k28 s GLU 342 N 3.20 4.53 -1.31 2.72 2.02 -1.26 -2.44 118.70 126.16 1k28 s GLU 342 Ca 0.19 1.75 -0.15 0.00 0.02 0.00 0.00 54.97 56.79 1k28 s GLU 342 Cb -0.18 -3.30 0.10 0.00 0.10 0.00 0.00 34.13 30.86 1k28 s GLU 342 CO 0.12 -0.05 1.79 1.55 0.02 0.00 0.00 175.26 178.69 1k28 n VAL 343 N 2.88 3.98 -0.88 2.63 3.14 -1.26 -4.91 118.33 123.91 1k28 n VAL 343 Ca 0.05 -4.08 -0.31 0.00 -2.96 0.00 0.00 64.34 57.04 1k28 n VAL 343 Cb 0.46 -2.44 0.15 0.00 -1.06 0.00 0.00 33.84 30.95 1k28 n VAL 343 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1k28 s LYS 344 N 2.76 1.27 0.00 1.45 -0.14 -1.26 -5.05 119.74 118.78 1k28 s LYS 344 Ca 0.48 1.36 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 1k28 s LYS 344 Cb 0.05 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.43 1k28 s LYS 344 CO 0.01 -2.39 0.00 2.41 -0.76 0.00 0.00 175.35 174.62 1k28 n THR 345 N -4.05 0.00 0.00 2.17 -1.04 -1.26 -5.18 114.28 104.92 1k28 n THR 345 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1k28 n THR 345 Cb 0.53 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1k28 n THR 345 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k28 n ASP 362 N -2.68 3.86 0.20 8.00 -0.08 -1.26 -5.34 116.55 119.24 1k28 n ASP 362 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1k28 n ASP 362 Cb 0.33 0.25 0.43 0.00 2.34 0.00 0.00 41.12 44.47 1k28 n ASP 362 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1k28 h PRO 363 N 0.00 0.00 0.00 -0.67 0.11 -2.10 -1.91 132.00 127.43 1k28 h PRO 363 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1k28 h PRO 363 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1k28 h PRO 363 CO 0.00 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.10 1k28 n ALA 364 N -2.41 2.30 -1.13 -0.75 0.00 -1.26 -4.83 120.51 112.43 1k28 n ALA 364 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1k28 n ALA 364 Cb 0.38 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.54 1k28 n ALA 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k28 s ASP 365 N -2.47 3.67 1.04 0.00 -0.00 -0.72 -4.95 116.67 113.23 1k28 s ASP 365 Ca 0.26 2.34 -0.12 0.00 -0.00 0.00 0.00 52.55 55.04 1k28 s ASP 365 Cb 0.17 -2.59 0.21 0.00 -0.00 0.00 0.00 42.92 40.72 1k28 s ASP 365 CO 0.37 -2.61 1.07 -2.16 -0.00 0.00 0.00 175.17 171.83 1k28 s PRO 366 N -4.14 0.09 0.35 8.23 0.04 -1.26 -4.96 135.00 133.35 1k28 s PRO 366 Ca 0.73 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 1k28 s PRO 366 Cb -0.28 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1k28 s PRO 366 CO 0.50 -3.07 0.86 -1.25 0.04 0.00 0.00 177.00 174.08 1k28 s PRO 367 N -4.67 4.23 -0.38 0.56 0.04 -1.26 -5.01 135.00 128.50 1k28 s PRO 367 Ca 0.67 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 1k28 s PRO 367 Cb -0.22 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1k28 s PRO 367 CO 0.61 0.13 0.92 0.96 0.04 0.00 0.00 177.00 179.65 1k28 s ILE 368 N -1.94 4.58 0.31 0.56 -4.36 -1.26 -5.02 121.20 114.06 1k28 s ILE 368 Ca 0.55 1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 61.76 1k28 s ILE 368 Cb -0.12 -4.34 -0.11 0.00 1.25 0.00 0.00 42.46 39.14 1k28 s ILE 368 CO 0.17 -0.58 1.45 -2.16 0.24 0.00 0.00 174.94 174.07 1k28 s PRO 369 N 3.49 4.22 -0.41 0.37 0.04 -1.26 -5.00 135.00 136.45 1k28 s PRO 369 Ca 0.37 2.41 0.03 0.00 0.04 0.00 0.00 61.00 63.85 1k28 s PRO 369 Cb -0.12 -3.05 0.11 0.00 0.04 0.00 0.00 34.50 31.49 1k28 s PRO 369 CO 0.20 -0.44 0.15 1.21 0.04 0.00 0.00 177.00 178.16 1k28 s ASN 370 N 0.07 4.40 -0.75 6.66 3.04 -1.26 -4.94 114.94 122.17 1k28 s ASN 370 Ca 0.56 -2.47 -0.02 0.00 0.04 0.00 0.00 52.86 50.97 1k28 s ASN 370 Cb -0.44 -1.49 0.41 0.00 -1.54 0.00 0.00 41.25 38.19 1k28 s ASN 370 CO 0.51 -0.32 2.04 0.47 -3.04 0.00 0.00 177.10 176.76 1k28 n ASP 371 N 3.82 7.64 -4.73 -4.21 10.43 -1.26 -4.95 116.55 123.29 1k28 n ASP 371 Ca 0.04 -3.81 -0.41 0.00 2.57 0.00 0.00 54.79 53.19 1k28 n ASP 371 Cb 0.38 -1.02 -0.04 0.00 1.84 0.00 0.00 41.12 42.27 1k28 n ASP 371 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1k28 s SER 372 N -1.49 7.27 0.48 -2.24 0.15 -1.26 -4.94 113.70 111.67 1k28 s SER 372 Ca 0.59 1.52 0.24 0.00 0.70 0.00 0.00 55.95 59.00 1k28 s SER 372 Cb 0.48 -2.51 1.20 0.00 -1.71 0.00 0.00 66.02 63.49 1k28 s SER 372 CO -0.19 -0.07 1.98 -0.09 1.20 0.00 0.00 173.24 176.06 1k28 h ARG 373 N 6.03 0.00 -6.14 5.44 9.65 -1.90 -3.42 114.38 124.04 1k28 h ARG 373 Ca -0.43 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 57.87 1k28 h ARG 373 Cb 1.21 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.72 1k28 h ARG 373 CO 0.73 0.19 0.75 0.42 2.80 0.00 0.00 179.97 184.85 1k28 s ILE 374 N -4.11 4.61 -0.03 1.20 -1.09 -1.26 0.78 121.20 121.31 1k28 s ILE 374 Ca -0.02 1.74 -0.24 0.00 -2.23 0.00 0.00 60.65 59.90 1k28 s ILE 374 Cb 0.13 -4.33 -0.20 0.00 -1.58 0.00 0.00 42.46 36.47 1k28 s ILE 374 CO 0.62 -0.34 1.16 0.25 -1.23 0.00 0.00 174.94 175.40 1k28 h LEU 375 N 9.77 0.18 -7.44 2.97 6.46 -1.18 -3.42 115.31 122.65 1k28 h LEU 375 Ca -0.21 -0.63 0.25 0.00 -0.12 0.00 0.00 57.88 57.17 1k28 h LEU 375 Cb 1.07 -0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.84 1k28 h LEU 375 CO 0.99 0.78 0.66 0.72 -0.62 0.00 0.00 178.44 180.96 1k28 s PHE 376 N -3.70 -0.09 -0.16 1.25 -0.12 -1.18 -4.92 117.98 109.07 1k28 s PHE 376 Ca -0.16 -0.12 -0.12 0.00 -0.05 0.00 0.00 56.93 56.48 1k28 s PHE 376 Cb 0.02 0.59 0.05 0.00 -0.63 0.00 0.00 43.02 43.05 1k28 s PHE 376 CO 0.72 -0.55 0.40 0.21 -0.05 0.00 0.00 175.22 175.95 1k28 s LYS 377 N -2.86 0.44 -0.20 1.99 2.20 -1.26 -0.93 119.74 119.11 1k28 s LYS 377 Ca 0.13 0.63 -0.39 0.00 -0.36 0.00 0.00 55.97 55.98 1k28 s LYS 377 Cb 0.02 0.14 -0.15 0.00 -1.51 0.00 0.00 37.83 36.33 1k28 s LYS 377 CO -0.01 -0.09 1.71 -1.91 -0.36 0.00 0.00 175.35 174.69 1k28 n GLU 378 N 3.33 1.28 -1.73 4.03 2.13 -0.89 -4.89 120.64 123.91 1k28 n GLU 378 Ca -0.17 0.47 -0.37 0.00 0.66 0.00 0.00 57.16 57.75 1k28 n GLU 378 Cb 0.56 -2.17 0.06 0.00 0.27 0.00 0.00 31.44 30.17 1k28 n GLU 378 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1k28 n PRO 379 N 5.12 1.28 -1.64 5.31 -0.02 -1.26 -4.80 135.00 139.01 1k28 n PRO 379 Ca 0.25 0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1k28 n PRO 379 Cb 0.16 -2.55 0.10 0.00 -0.02 0.00 0.00 33.50 31.19 1k28 n PRO 379 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1k28 s VAL 380 N -1.35 2.59 0.27 -1.45 -7.23 -1.26 -4.95 120.40 107.02 1k28 s VAL 380 Ca 0.80 0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.86 1k28 s VAL 380 Cb -0.39 -3.01 -0.11 0.00 0.56 0.00 0.00 36.38 33.43 1k28 s VAL 380 CO 0.43 -0.25 1.61 -0.55 -0.31 0.00 0.00 175.10 176.03 1k28 s SER 381 N -4.10 6.39 -0.07 4.85 0.15 -1.26 -4.88 113.70 114.78 1k28 s SER 381 Ca 0.62 2.92 0.11 0.00 0.70 0.00 0.00 55.95 60.29 1k28 s SER 381 Cb -0.14 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 61.98 1k28 s SER 381 CO 0.53 -0.92 1.27 -1.54 1.20 0.00 0.00 173.24 173.79 1k28 n SER 382 N 2.57 3.05 -4.72 5.45 3.41 -1.26 -4.96 113.62 117.16 1k28 n SER 382 Ca 0.10 -2.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.01 1k28 n SER 382 Cb 0.37 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1k28 n SER 382 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k28 n TYR 383 N 0.57 2.61 -2.22 7.33 4.19 -1.26 -4.82 117.16 123.56 1k28 n TYR 383 Ca 0.15 0.38 -0.03 0.00 3.31 0.00 0.00 57.90 61.71 1k28 n TYR 383 Cb 0.59 -2.52 0.02 0.00 0.49 0.00 0.00 39.34 37.91 1k28 n TYR 383 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1k28 n LYS 384 N 1.58 0.44 -1.07 2.98 5.02 -1.26 -4.92 118.16 120.93 1k28 n LYS 384 Ca 0.07 -0.68 -0.31 0.00 -2.02 0.00 0.00 58.31 55.38 1k28 n LYS 384 Cb 0.36 0.38 0.12 0.00 -0.02 0.00 0.00 35.03 35.86 1k28 n LYS 384 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1k28 s GLY 385 N -0.65 1.68 -0.10 0.72 0.00 -1.26 -4.87 107.32 102.83 1k28 s GLY 385 Ca 0.03 0.35 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1k28 s GLY 385 CO -0.04 0.73 0.24 1.85 0.00 0.00 0.00 173.10 175.88 1k28 s GLU 386 N -4.82 0.25 0.35 2.90 2.56 -1.26 -2.22 118.70 116.46 1k28 s GLU 386 Ca 0.63 0.41 -0.27 0.00 0.00 0.00 0.00 54.97 55.74 1k28 s GLU 386 Cb -0.19 0.03 -0.09 0.00 2.00 0.00 0.00 34.13 35.87 1k28 s GLU 386 CO 0.57 -0.09 1.22 -0.47 -0.56 0.00 0.00 175.26 175.93 1k28 s TYR 387 N 0.61 3.13 -0.62 5.30 5.04 -1.25 -0.57 117.35 128.99 1k28 s TYR 387 Ca -0.04 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.10 1k28 s TYR 387 Cb -0.05 -3.51 0.48 0.00 0.35 0.00 0.00 41.96 39.23 1k28 s TYR 387 CO -0.03 -1.46 1.98 -0.35 -1.34 0.00 0.00 175.55 174.34 1k28 n PRO 388 N 0.56 2.65 0.09 4.97 -0.04 -1.26 -4.96 135.00 137.01 1k28 n PRO 388 Ca 0.02 -3.28 0.07 0.00 -0.04 0.00 0.00 63.50 60.26 1k28 n PRO 388 Cb 0.44 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 1k28 n PRO 388 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1k28 h TYR 389 N 1.85 0.00 -3.68 0.54 0.05 -1.17 -3.46 116.97 111.10 1k28 h TYR 389 Ca 0.60 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.88 1k28 h TYR 389 Cb 1.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1k28 h TYR 389 CO 1.43 0.23 0.39 0.08 -1.05 0.00 0.00 178.16 179.25 1k28 s VAL 390 N -3.17 4.09 -0.40 -2.88 1.01 -1.21 -1.16 120.40 116.68 1k28 s VAL 390 Ca -0.00 1.94 0.01 0.00 0.00 0.00 0.00 61.98 63.93 1k28 s VAL 390 Cb 0.09 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.37 1k28 s VAL 390 CO 0.78 0.40 0.22 -1.00 0.00 0.00 0.00 175.10 175.50 1k28 s HIS 391 N -0.70 1.46 -0.02 5.22 3.76 -1.06 -4.89 115.29 119.08 1k28 s HIS 391 Ca 0.44 -2.06 0.06 0.00 -0.15 0.00 0.00 55.06 53.35 1k28 s HIS 391 Cb -0.26 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1k28 s HIS 391 CO 0.33 -0.81 -0.20 0.99 -0.85 0.00 0.00 174.74 174.20 1k28 s THR 392 N 0.72 2.58 -0.07 1.30 2.01 -1.26 -0.96 115.64 119.96 1k28 s THR 392 Ca 0.17 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1k28 s THR 392 Cb -0.23 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1k28 s THR 392 CO -0.01 0.53 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.93 1k28 s MET 393 N -0.85 2.73 -0.06 4.92 1.75 -0.14 -4.94 119.30 122.70 1k28 s MET 393 Ca 0.12 -0.81 -0.00 0.00 -1.25 0.00 0.00 55.69 53.74 1k28 s MET 393 Cb -0.10 -2.32 0.03 0.00 2.84 0.00 0.00 34.83 35.28 1k28 s MET 393 CO 0.01 0.40 -0.02 -2.00 -0.65 0.00 0.00 175.02 172.76 1k28 s GLU 394 N -0.17 0.74 0.60 4.11 2.12 -1.26 -1.32 118.70 123.52 1k28 s GLU 394 Ca -0.02 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.22 1k28 s GLU 394 Cb -0.14 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 1k28 s GLU 394 CO 0.04 -0.22 0.98 0.95 -0.54 0.00 0.00 175.26 176.46 1k28 s THR 395 N 1.57 4.57 0.44 -1.70 -4.23 -0.42 -4.94 115.64 110.93 1k28 s THR 395 Ca -0.01 0.65 0.22 0.00 -1.18 0.00 0.00 61.69 61.36 1k28 s THR 395 Cb -0.13 -3.81 0.41 0.00 1.34 0.00 0.00 72.50 70.32 1k28 s THR 395 CO -0.04 -0.99 1.83 -0.08 -0.54 0.00 0.00 174.62 174.80 1k28 h GLU 396 N -0.23 0.29 -0.22 3.99 4.81 -1.96 -0.85 114.58 120.41 1k28 h GLU 396 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1k28 h GLU 396 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k28 h GLU 396 CO 0.62 0.19 0.00 -1.13 -0.73 0.00 0.00 179.01 177.97 1k28 n SER 397 N -4.48 2.13 0.00 1.04 3.41 -1.26 -4.94 113.62 109.52 1k28 n SER 397 Ca 0.21 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1k28 n SER 397 Cb 0.83 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1k28 n SER 397 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k28 n GLY 398 N 1.22 1.07 3.74 5.00 0.00 -0.32 -4.66 105.19 111.23 1k28 n GLY 398 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1k28 n GLY 398 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k28 s HIS 399 N -2.00 3.69 -0.06 1.61 3.76 -1.26 -3.64 115.29 117.40 1k28 s HIS 399 Ca 0.00 1.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.61 1k28 s HIS 399 Cb 0.00 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.52 1k28 s HIS 399 CO 0.00 -0.29 -0.04 0.42 -0.85 0.00 0.00 174.74 173.98 1k28 s ILE 400 N -0.43 0.58 -0.09 0.60 1.01 -0.28 -1.30 121.20 121.28 1k28 s ILE 400 Ca 0.47 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1k28 s ILE 400 Cb -0.28 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1k28 s ILE 400 CO 0.34 0.25 -0.11 -1.58 0.00 0.00 0.00 174.94 173.85 1k28 s GLN 401 N 1.17 1.69 -0.11 2.79 0.74 -0.43 0.14 119.66 125.64 1k28 s GLN 401 Ca -0.07 -0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.01 1k28 s GLN 401 Cb -0.14 -1.55 0.01 0.00 1.10 0.00 0.00 33.01 32.43 1k28 s GLN 401 CO -0.01 -0.12 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.18 1k28 s GLU 402 N 1.17 2.83 -0.52 1.67 2.02 0.10 -0.97 118.70 125.01 1k28 s GLU 402 Ca -0.05 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1k28 s GLU 402 Cb -0.14 -2.21 0.13 0.00 0.10 0.00 0.00 34.13 32.01 1k28 s GLU 402 CO -0.03 0.09 0.26 -0.06 0.02 0.00 0.00 175.26 175.55 1k28 s PHE 403 N 0.56 3.22 -0.42 1.61 0.40 -0.14 -2.69 117.98 120.52 1k28 s PHE 403 Ca -0.14 -3.14 -0.20 0.00 -0.60 0.00 0.00 56.93 52.85 1k28 s PHE 403 Cb -0.17 -2.85 0.02 0.00 0.51 0.00 0.00 43.02 40.53 1k28 s PHE 403 CO 0.05 -0.76 0.60 0.34 0.70 0.00 0.00 175.22 176.15 1k28 s ASP 404 N -0.19 6.31 0.00 1.36 3.68 -0.11 -2.55 116.67 125.17 1k28 s ASP 404 Ca 0.17 -0.31 0.17 0.00 2.13 0.00 0.00 52.55 54.70 1k28 s ASP 404 Cb -0.25 -2.30 0.54 0.00 -1.45 0.00 0.00 42.92 39.45 1k28 s ASP 404 CO -0.01 -0.71 1.41 0.47 0.13 0.00 0.00 175.17 176.47 1k28 n ASP 405 N 6.11 1.96 -4.51 -0.34 10.43 -0.31 -1.47 116.55 128.43 1k28 n ASP 405 Ca -0.03 -1.86 -0.52 0.00 2.57 0.00 0.00 54.79 54.95 1k28 n ASP 405 Cb 0.48 -0.19 -0.07 0.00 1.84 0.00 0.00 41.12 43.18 1k28 n ASP 405 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1k28 n THR 406 N 0.54 0.24 -1.62 -3.53 -1.04 -1.25 -4.82 114.28 102.79 1k28 n THR 406 Ca 0.15 -0.20 -0.46 0.00 -2.04 0.00 0.00 64.05 61.51 1k28 n THR 406 Cb 0.34 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 1k28 n THR 406 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1k28 n PRO 407 N 7.52 1.60 0.00 -2.82 -0.02 -1.26 -0.64 135.00 139.37 1k28 n PRO 407 Ca 0.37 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1k28 n PRO 407 Cb 0.20 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1k28 n PRO 407 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k28 n GLY 408 N 1.67 2.48 2.33 -1.23 0.00 -1.26 -4.71 105.19 104.48 1k28 n GLY 408 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1k28 n GLY 408 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k28 n GLN 409 N -0.80 3.27 -2.20 1.61 1.13 0.18 -4.91 117.38 115.66 1k28 n GLN 409 Ca 0.00 -4.24 -0.42 0.00 -1.94 0.00 0.00 57.00 50.40 1k28 n GLN 409 Cb 0.00 -2.16 -0.03 0.00 0.11 0.00 0.00 30.24 28.16 1k28 n GLN 409 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k28 s GLU 410 N -3.55 4.34 0.14 -1.09 8.01 -0.75 -4.37 118.70 121.44 1k28 s GLU 410 Ca 0.47 2.04 -0.18 0.00 0.01 0.00 0.00 54.97 57.31 1k28 s GLU 410 Cb 0.40 -3.25 0.04 0.00 -4.31 0.00 0.00 34.13 27.02 1k28 s GLU 410 CO -0.08 -0.39 0.46 -0.98 0.01 0.00 0.00 175.26 174.29 1k28 s ARG 411 N 0.88 1.17 -0.02 1.61 1.70 -0.54 -1.72 118.95 122.03 1k28 s ARG 411 Ca 0.63 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 55.24 1k28 s ARG 411 Cb -0.36 0.50 -0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1k28 s ARG 411 CO 0.32 -0.48 -0.12 -0.47 -1.08 0.00 0.00 175.30 173.47 1k28 s TYR 412 N -3.80 1.16 -0.17 5.89 5.04 -0.46 -0.94 117.35 124.07 1k28 s TYR 412 Ca 0.04 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.28 1k28 s TYR 412 Cb 0.01 -0.78 0.05 0.00 0.35 0.00 0.00 41.96 41.59 1k28 s TYR 412 CO -0.11 -0.07 0.43 0.50 -1.34 0.00 0.00 175.55 174.97 1k28 s ARG 413 N -0.08 0.45 -0.14 4.97 3.52 -1.10 -0.33 118.95 126.25 1k28 s ARG 413 Ca 0.01 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 1k28 s ARG 413 Cb -0.07 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.43 1k28 s ARG 413 CO 0.00 -0.12 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.99 1k28 s LEU 414 N 0.92 2.11 -0.05 -0.88 2.96 0.05 0.03 118.68 123.82 1k28 s LEU 414 Ca -0.06 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1k28 s LEU 414 Cb -0.06 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1k28 s LEU 414 CO -0.07 0.08 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 1k28 s VAL 415 N 0.84 1.74 0.01 1.68 1.01 0.36 -1.45 120.40 124.58 1k28 s VAL 415 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1k28 s VAL 415 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1k28 s VAL 415 CO -0.03 0.49 0.22 -2.28 0.00 0.00 0.00 175.10 173.51 1k28 s HIS 416 N -0.10 3.55 0.36 5.22 2.46 -0.09 -1.13 115.29 125.57 1k28 s HIS 416 Ca -0.03 0.43 0.14 0.00 0.47 0.00 0.00 55.06 56.07 1k28 s HIS 416 Cb -0.12 -1.89 0.98 0.00 -0.13 0.00 0.00 32.58 31.41 1k28 s HIS 416 CO 0.03 0.62 1.77 -1.35 -2.47 0.00 0.00 174.74 173.33 1k28 h PRO 417 N 3.78 0.50 -0.98 2.88 0.11 -1.83 0.15 132.00 136.61 1k28 h PRO 417 Ca -0.49 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.69 1k28 h PRO 417 Cb 1.19 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1k28 h PRO 417 CO 0.69 0.33 0.62 1.15 -0.21 0.00 0.00 178.00 180.57 1k28 h THR 418 N 0.52 0.97 0.00 -1.15 2.02 -1.93 -3.46 112.91 109.88 1k28 h THR 418 Ca 0.60 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1k28 h THR 418 Cb 1.29 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1k28 h THR 418 CO -0.35 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.34 1k28 n GLY 419 N -1.35 1.23 3.66 2.16 0.00 0.04 -5.01 105.19 105.92 1k28 n GLY 419 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1k28 n GLY 419 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k28 s THR 420 N -0.92 3.59 0.32 2.61 2.01 -1.25 -4.77 115.64 117.22 1k28 s THR 420 Ca 0.00 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1k28 s THR 420 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1k28 s THR 420 CO 0.00 -0.06 0.34 -0.72 -0.69 0.00 0.00 174.62 173.49 1k28 s TYR 421 N 3.91 1.38 -0.13 4.92 1.13 0.11 -0.91 117.35 127.77 1k28 s TYR 421 Ca 0.73 -1.46 -0.09 0.00 -1.41 0.00 0.00 57.07 54.84 1k28 s TYR 421 Cb -0.33 -0.43 0.04 0.00 -1.10 0.00 0.00 41.96 40.14 1k28 s TYR 421 CO 0.29 -0.95 0.32 -2.00 -2.51 0.00 0.00 175.55 170.70 1k28 s GLU 422 N -3.41 0.33 0.01 -3.49 2.12 -0.53 -0.12 118.70 113.61 1k28 s GLU 422 Ca 0.36 0.54 -0.00 0.00 0.36 0.00 0.00 54.97 56.23 1k28 s GLU 422 Cb 0.02 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 1k28 s GLU 422 CO 0.22 -0.10 -0.00 -2.00 -0.54 0.00 0.00 175.26 172.84 1k28 s GLU 423 N 0.74 0.15 -0.18 4.30 2.12 -0.56 -0.77 118.70 124.50 1k28 s GLU 423 Ca -0.05 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1k28 s GLU 423 Cb -0.06 0.06 0.04 0.00 0.26 0.00 0.00 34.13 34.43 1k28 s GLU 423 CO -0.05 -0.03 -0.10 0.08 -0.54 0.00 0.00 175.26 174.63 1k28 s VAL 424 N -0.65 1.48 0.74 3.70 1.01 0.56 -0.83 120.40 126.41 1k28 s VAL 424 Ca -0.07 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1k28 s VAL 424 Cb -0.04 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1k28 s VAL 424 CO -0.00 0.24 1.11 -0.94 0.00 0.00 0.00 175.10 175.50 1k28 s SER 425 N 1.48 5.05 0.20 3.32 1.04 -0.47 -1.35 113.70 122.97 1k28 s SER 425 Ca 0.01 0.92 0.14 0.00 0.48 0.00 0.00 55.95 57.50 1k28 s SER 425 Cb -0.15 -1.60 0.74 0.00 0.10 0.00 0.00 66.02 65.11 1k28 s SER 425 CO -0.09 -1.55 1.42 -0.81 0.98 0.00 0.00 173.24 173.19 1k28 n PRO 426 N -3.09 0.09 0.02 4.02 -0.04 -0.70 0.48 135.00 135.78 1k28 n PRO 426 Ca 0.07 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1k28 n PRO 426 Cb 0.59 -1.79 0.26 0.00 -0.04 0.00 0.00 33.50 32.52 1k28 n PRO 426 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1k28 n SER 427 N -1.98 0.52 0.00 3.54 3.41 -1.26 -4.86 113.62 112.99 1k28 n SER 427 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1k28 n SER 427 Cb 0.03 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1k28 n SER 427 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k28 n GLY 428 N 1.45 0.65 3.77 5.00 0.00 0.18 -5.06 105.19 111.18 1k28 n GLY 428 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1k28 n GLY 428 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k28 s ARG 429 N -0.76 3.35 -0.07 1.61 1.04 -1.26 -4.73 118.95 118.14 1k28 s ARG 429 Ca 0.00 1.73 0.03 0.00 -1.04 0.00 0.00 55.73 56.45 1k28 s ARG 429 Cb 0.00 -2.10 0.01 0.00 -2.04 0.00 0.00 34.95 30.82 1k28 s ARG 429 CO 0.00 -0.88 -0.15 0.50 -0.04 0.00 0.00 175.30 174.74 1k28 s ARG 430 N -3.13 1.98 -0.07 3.89 3.52 -1.26 -1.37 118.95 122.50 1k28 s ARG 430 Ca 0.72 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1k28 s ARG 430 Cb -0.27 -1.59 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1k28 s ARG 430 CO 0.31 0.05 -0.23 0.99 -0.81 0.00 0.00 175.30 175.61 1k28 s THR 431 N 0.62 2.21 -0.28 4.11 2.01 -0.01 -4.99 115.64 119.32 1k28 s THR 431 Ca -0.15 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.86 1k28 s THR 431 Cb -0.16 -1.82 0.08 0.00 0.01 0.00 0.00 72.50 70.60 1k28 s THR 431 CO 0.04 0.57 -0.01 -0.60 -0.69 0.00 0.00 174.62 173.93 1k28 s ARG 432 N -0.07 1.51 -0.22 4.92 3.52 -1.26 -1.50 118.95 125.84 1k28 s ARG 432 Ca -0.06 -1.28 -0.07 0.00 -0.13 0.00 0.00 55.73 54.20 1k28 s ARG 432 Cb -0.14 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1k28 s ARG 432 CO 0.05 -0.75 0.05 0.21 -0.81 0.00 0.00 175.30 174.05 1k28 s LYS 433 N 1.27 3.72 -0.23 5.12 2.36 0.83 -5.01 119.74 127.81 1k28 s LYS 433 Ca 0.01 -0.45 0.02 0.00 -2.55 0.00 0.00 55.97 52.99 1k28 s LYS 433 Cb -0.19 -3.25 0.05 0.00 -1.05 0.00 0.00 37.83 33.39 1k28 s LYS 433 CO -0.10 -0.04 -0.11 0.99 1.55 0.00 0.00 175.35 177.65 1k28 s THR 434 N 1.19 1.91 0.25 3.43 2.01 -1.26 -0.71 115.64 122.45 1k28 s THR 434 Ca 0.04 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.75 1k28 s THR 434 Cb -0.14 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1k28 s THR 434 CO 0.03 0.08 1.61 -0.37 -0.69 0.00 0.00 174.62 175.28 1k28 h VAL 435 N 6.55 1.33 0.00 3.82 -1.51 -1.94 -3.45 116.25 121.05 1k28 h VAL 435 Ca -0.24 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 1k28 h VAL 435 Cb 1.07 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1k28 h VAL 435 CO 0.48 0.51 0.00 -0.67 -1.23 0.00 0.00 177.57 176.66 1k28 n ASP 436 N -3.98 0.00 -4.81 4.19 2.03 -1.26 -5.09 116.55 107.63 1k28 n ASP 436 Ca -0.02 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.96 1k28 n ASP 436 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1k28 n ASP 436 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1k28 s ASN 437 N -0.89 6.50 -0.09 1.67 -0.87 -1.26 -5.08 114.94 114.92 1k28 s ASN 437 Ca 0.00 1.77 0.04 0.00 -1.57 0.00 0.00 52.86 53.10 1k28 s ASN 437 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1k28 s ASN 437 CO 0.00 -0.67 -0.22 -0.22 -2.57 0.00 0.00 177.10 173.42 1k28 s LEU 438 N -3.64 2.00 -0.23 0.60 2.96 -1.26 -5.04 118.68 114.07 1k28 s LEU 438 Ca 0.64 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1k28 s LEU 438 Cb -0.13 -1.30 0.06 0.00 0.50 0.00 0.00 46.19 45.33 1k28 s LEU 438 CO 0.22 0.14 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.06 1k28 s TYR 439 N 0.39 2.12 -0.62 5.38 1.51 -1.26 -5.07 117.35 119.80 1k28 s TYR 439 Ca -0.18 -1.61 -0.08 0.00 -1.01 0.00 0.00 57.07 54.18 1k28 s TYR 439 Cb -0.17 -1.52 0.16 0.00 -0.11 0.00 0.00 41.96 40.32 1k28 s TYR 439 CO 0.08 -0.75 0.50 -0.51 -1.11 0.00 0.00 175.55 173.75 1k28 s ASP 440 N 1.49 5.84 -0.25 2.29 1.01 -1.26 -5.05 116.67 120.74 1k28 s ASP 440 Ca -0.03 -2.45 -0.09 0.00 0.71 0.00 0.00 52.55 50.69 1k28 s ASP 440 Cb -0.18 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1k28 s ASP 440 CO -0.08 -0.55 0.12 -0.63 0.21 0.00 0.00 175.17 174.24 1k28 s ILE 441 N 0.55 4.84 -0.08 0.77 1.09 -1.26 -5.07 121.20 122.04 1k28 s ILE 441 Ca 0.13 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 1k28 s ILE 441 Cb -0.20 -3.27 0.02 0.00 -1.06 0.00 0.00 42.46 37.95 1k28 s ILE 441 CO -0.04 0.32 -0.06 0.28 -0.10 0.00 0.00 174.94 175.34 1k28 s THR 442 N 1.47 0.81 0.15 2.92 -1.32 -1.26 -5.05 115.64 113.36 1k28 s THR 442 Ca 0.06 -0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 1k28 s THR 442 Cb -0.15 -0.84 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 1k28 s THR 442 CO 0.06 0.32 1.46 0.78 -2.21 0.00 0.00 174.62 175.03 1k28 h ASN 443 N 7.85 0.90 0.00 8.08 -0.26 -2.07 -3.46 115.58 126.61 1k28 h ASN 443 Ca -0.29 -0.45 0.00 0.00 -0.56 0.00 0.00 56.30 55.00 1k28 h ASN 443 Cb 1.14 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1k28 h ASN 443 CO 0.39 1.23 0.00 0.00 -1.06 0.00 0.00 177.43 177.99 1k28 n ALA 444 N -2.55 0.00 -2.20 -0.83 0.00 -1.26 -5.07 120.51 108.60 1k28 n ALA 444 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1k28 n ALA 444 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1k28 n ALA 444 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k28 s ASP 445 N -1.00 6.72 -0.33 0.00 -0.00 -1.26 -5.07 116.67 115.72 1k28 s ASP 445 Ca 0.00 1.19 -0.05 0.00 -0.00 0.00 0.00 52.55 53.70 1k28 s ASP 445 Cb 0.00 -2.34 0.05 0.00 -0.00 0.00 0.00 42.92 40.63 1k28 s ASP 445 CO 0.00 -0.20 0.08 -0.83 -0.00 0.00 0.00 175.17 174.22 1k28 s GLY 446 N -2.39 1.83 -0.35 0.21 0.00 -1.26 -5.06 107.32 100.30 1k28 s GLY 446 Ca 0.53 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.34 1k28 s GLY 446 CO 0.20 0.77 0.12 -1.31 0.00 0.00 0.00 173.10 172.88 1k28 s ASN 447 N 1.42 5.33 -0.16 1.64 0.01 -1.26 -5.07 114.94 116.84 1k28 s ASN 447 Ca -0.02 -1.24 -0.01 0.00 -0.71 0.00 0.00 52.86 50.89 1k28 s ASN 447 Cb -0.20 -1.87 -0.00 0.00 0.41 0.00 0.00 41.25 39.58 1k28 s ASN 447 CO 0.01 -0.36 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.75 1k28 s PHE 448 N 1.38 2.82 -0.19 2.20 0.08 -1.26 -5.09 117.98 117.93 1k28 s PHE 448 Ca -0.01 -0.95 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 1k28 s PHE 448 Cb -0.20 -1.92 0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1k28 s PHE 448 CO 0.02 -0.44 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.52 1k28 s LEU 449 N 0.85 1.56 -0.39 -0.37 0.20 -1.26 -5.08 118.68 114.19 1k28 s LEU 449 Ca -0.04 -0.80 -0.03 0.00 0.69 0.00 0.00 54.13 53.95 1k28 s LEU 449 Cb -0.15 -0.80 0.09 0.00 -0.43 0.00 0.00 46.19 44.90 1k28 s LEU 449 CO -0.00 -0.25 0.17 -0.69 -0.29 0.00 0.00 176.35 175.29 1k28 s VAL 450 N 1.70 3.35 0.10 1.68 1.01 -1.26 -4.99 120.40 122.00 1k28 s VAL 450 Ca -0.01 -1.84 -0.16 0.00 0.00 0.00 0.00 61.98 59.96 1k28 s VAL 450 Cb -0.17 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1k28 s VAL 450 CO -0.07 -0.56 1.52 0.00 0.00 0.00 0.00 175.10 176.00 1k28 h ALA 451 N 8.08 0.45 -3.00 5.51 0.00 -2.06 -3.45 119.26 124.79 1k28 h ALA 451 Ca -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1k28 h ALA 451 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1k28 h ALA 451 CO 0.67 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1k28 n GLY 452 N -0.26 0.47 3.85 0.00 0.00 -1.26 -5.02 105.19 102.98 1k28 n GLY 452 Ca -0.02 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1k28 n GLY 452 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k28 s ASP 453 N -1.09 6.76 -0.25 1.61 1.01 -1.26 -5.07 116.67 118.38 1k28 s ASP 453 Ca 0.00 1.00 -0.05 0.00 0.71 0.00 0.00 52.55 54.21 1k28 s ASP 453 Cb 0.00 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1k28 s ASP 453 CO 0.00 0.10 0.00 -0.75 0.21 0.00 0.00 175.17 174.73 1k28 s LYS 454 N -2.05 3.28 -0.12 8.23 2.20 -1.26 -5.09 119.74 124.93 1k28 s LYS 454 Ca 0.38 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1k28 s LYS 454 Cb -0.14 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1k28 s LYS 454 CO 0.19 -0.28 -0.17 0.15 -0.36 0.00 0.00 175.35 174.88 1k28 s LYS 455 N 1.49 3.26 0.06 4.03 1.02 -1.26 -5.13 119.74 123.21 1k28 s LYS 455 Ca 0.04 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.33 1k28 s LYS 455 Cb -0.15 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1k28 s LYS 455 CO -0.01 0.18 -0.14 0.99 -0.92 0.00 0.00 175.35 175.45 1k28 s THR 456 N 0.41 1.07 -0.04 2.17 2.01 -1.26 -5.10 115.64 114.90 1k28 s THR 456 Ca -0.13 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 1k28 s THR 456 Cb -0.16 -1.01 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1k28 s THR 456 CO 0.06 -0.16 0.06 0.20 -0.69 0.00 0.00 174.62 174.09 1k28 s ASN 457 N -1.52 0.77 -0.22 3.53 -0.87 -1.26 -4.99 114.94 110.38 1k28 s ASN 457 Ca -0.01 0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.36 1k28 s ASN 457 Cb -0.09 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.08 1k28 s ASN 457 CO 0.02 -0.21 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.56 1k28 s VAL 458 N 1.85 2.89 -0.01 1.60 1.01 -1.26 -5.02 120.40 121.45 1k28 s VAL 458 Ca 0.01 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1k28 s VAL 458 Cb -0.12 -2.36 -0.19 0.00 0.00 0.00 0.00 36.38 33.71 1k28 s VAL 458 CO -0.03 0.36 1.25 1.23 0.00 0.00 0.00 175.10 177.90 1k28 h GLY 459 N 8.04 -0.09 0.00 4.51 0.00 -1.94 -3.47 103.07 110.11 1k28 h GLY 459 Ca -0.39 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1k28 h GLY 459 CO 0.60 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1k28 n GLY 460 N 0.11 1.54 3.93 4.60 0.00 -1.26 -3.81 105.19 110.29 1k28 n GLY 460 Ca -0.08 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1k28 n GLY 460 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k28 s SER 461 N -1.00 6.32 -0.03 1.61 0.01 -1.26 -4.97 113.70 114.37 1k28 s SER 461 Ca 0.00 0.55 0.05 0.00 1.31 0.00 0.00 55.95 57.86 1k28 s SER 461 Cb 0.00 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1k28 s SER 461 CO 0.00 -0.30 -0.19 -0.70 0.41 0.00 0.00 173.24 172.46 1k28 s GLU 462 N -4.20 1.75 -0.13 12.44 2.12 -1.26 -5.10 118.70 124.31 1k28 s GLU 462 Ca 0.41 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 1k28 s GLU 462 Cb -0.10 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.73 1k28 s GLU 462 CO 0.36 0.33 -0.09 0.42 -0.54 0.00 0.00 175.26 175.74 1k28 s ILE 463 N -0.20 1.18 -0.14 -3.70 1.01 -1.26 -5.11 121.20 112.99 1k28 s ILE 463 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1k28 s ILE 463 Cb -0.10 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1k28 s ILE 463 CO 0.01 0.37 -0.17 -0.47 0.00 0.00 0.00 174.94 174.67 1k28 s TYR 464 N 1.64 2.35 -0.21 3.97 6.14 -1.26 -5.11 117.35 124.87 1k28 s TYR 464 Ca 0.04 -1.25 0.00 0.00 0.64 0.00 0.00 57.07 56.50 1k28 s TYR 464 Cb -0.13 -1.66 0.02 0.00 0.42 0.00 0.00 41.96 40.61 1k28 s TYR 464 CO -0.09 -0.63 -0.14 -0.47 0.64 0.00 0.00 175.55 174.86 1k28 s TYR 465 N 1.17 2.94 -0.43 4.97 5.04 -1.26 -5.07 117.35 124.70 1k28 s TYR 465 Ca -0.01 -1.64 -0.14 0.00 -2.44 0.00 0.00 57.07 52.84 1k28 s TYR 465 Cb -0.14 -1.98 0.05 0.00 0.35 0.00 0.00 41.96 40.25 1k28 s TYR 465 CO -0.07 -0.77 0.33 -0.80 -1.34 0.00 0.00 175.55 172.90 1k28 s ASN 466 N 1.29 6.02 0.53 4.32 0.02 -1.26 -4.96 114.94 120.91 1k28 s ASN 466 Ca 0.02 -1.17 0.34 0.00 -1.02 0.00 0.00 52.86 51.03 1k28 s ASN 466 Cb -0.15 -2.13 1.46 0.00 0.02 0.00 0.00 41.25 40.45 1k28 s ASN 466 CO -0.09 -0.54 2.00 0.24 0.02 0.00 0.00 177.10 178.74 1k28 h MET 467 N 8.64 0.00 0.00 -0.60 2.86 -2.07 -3.45 114.93 120.31 1k28 h MET 467 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1k28 h MET 467 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1k28 h MET 467 CO 0.79 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 175.29 1k28 n ASP 468 N -2.99 0.00 -4.87 1.22 4.64 -1.26 -5.14 116.55 108.15 1k28 n ASP 468 Ca 0.00 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.10 1k28 n ASP 468 Cb 0.27 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.34 1k28 n ASP 468 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 1k28 s ASN 469 N 1.00 6.38 -0.03 1.67 0.01 -1.26 -5.09 114.94 117.61 1k28 s ASN 469 Ca 0.00 1.40 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 1k28 s ASN 469 Cb 0.00 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.24 1k28 s ASN 469 CO 0.00 -0.72 0.00 -0.60 -1.51 0.00 0.00 177.10 174.27 1k28 s ARG 470 N -4.70 0.32 -0.05 -0.60 3.52 -1.26 -5.04 118.95 111.13 1k28 s ARG 470 Ca 0.55 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 1k28 s ARG 470 Cb -0.11 -0.52 0.00 0.00 -1.56 0.00 0.00 34.95 32.77 1k28 s ARG 470 CO 0.44 -0.15 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.46 1k28 s LEU 471 N 1.11 1.83 -0.07 -0.88 0.20 -1.26 -5.13 118.68 114.48 1k28 s LEU 471 Ca -0.09 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 1k28 s LEU 471 Cb -0.13 -0.92 0.03 0.00 -0.43 0.00 0.00 46.19 44.74 1k28 s LEU 471 CO -0.02 0.11 0.05 -2.28 -0.29 0.00 0.00 176.35 173.92 1k28 s HIS 472 N 0.28 0.28 0.02 5.38 2.46 -1.26 -5.14 115.29 117.30 1k28 s HIS 472 Ca -0.08 0.02 0.04 0.00 0.47 0.00 0.00 55.06 55.51 1k28 s HIS 472 Cb -0.13 -0.62 -0.03 0.00 -0.13 0.00 0.00 32.58 31.67 1k28 s HIS 472 CO 0.03 -0.29 -0.09 -1.14 -2.47 0.00 0.00 174.74 170.78 1k28 s GLN 473 N 2.10 2.44 -0.19 2.88 0.74 -1.26 -5.09 119.66 121.28 1k28 s GLN 473 Ca 0.04 -0.79 -0.02 0.00 0.05 0.00 0.00 55.36 54.64 1k28 s GLN 473 Cb -0.13 -2.43 0.06 0.00 1.10 0.00 0.00 33.01 31.61 1k28 s GLN 473 CO -0.05 0.58 0.02 0.42 -0.55 0.00 0.00 175.29 175.71 1k28 s ILE 474 N -1.00 0.67 0.15 -2.34 1.01 -1.26 -5.00 121.20 113.43 1k28 s ILE 474 Ca 0.17 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1k28 s ILE 474 Cb -0.11 -1.09 -0.17 0.00 0.01 0.00 0.00 42.46 41.09 1k28 s ILE 474 CO 0.08 -0.13 1.34 0.44 0.00 0.00 0.00 174.94 176.66 1k28 h ASP 475 N 8.21 0.31 0.00 3.58 3.32 -2.07 -3.45 116.42 126.32 1k28 h ASP 475 Ca -0.17 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1k28 h ASP 475 Cb 1.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1k28 h ASP 475 CO 0.34 1.09 0.00 0.61 -1.72 0.00 0.00 179.24 179.56 1k28 n GLY 476 N 0.97 0.98 3.97 2.75 0.00 -1.26 -5.07 105.19 107.54 1k28 n GLY 476 Ca -0.04 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 1k28 n GLY 476 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k28 s SER 477 N -1.00 6.15 -0.11 1.61 1.04 -1.26 -5.11 113.70 115.03 1k28 s SER 477 Ca 0.00 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.42 1k28 s SER 477 Cb 0.00 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.51 1k28 s SER 477 CO 0.00 -0.20 -0.21 0.21 0.98 0.00 0.00 173.24 174.02 1k28 s ASN 478 N -4.04 3.34 -0.11 7.02 2.47 -1.26 -5.07 114.94 117.29 1k28 s ASN 478 Ca 0.38 -0.50 0.02 0.00 0.42 0.00 0.00 52.86 53.18 1k28 s ASN 478 Cb -0.09 -1.46 0.01 0.00 -1.45 0.00 0.00 41.25 38.26 1k28 s ASN 478 CO 0.30 0.16 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.79 1k28 s THR 479 N 0.34 1.56 -0.16 -5.21 2.01 -1.26 -5.11 115.64 107.81 1k28 s THR 479 Ca -0.17 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1k28 s THR 479 Cb -0.17 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1k28 s THR 479 CO 0.08 0.45 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.63 1k28 s ILE 480 N 0.93 2.04 -0.19 1.82 -1.09 -1.26 -5.10 121.20 118.36 1k28 s ILE 480 Ca -0.07 -0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1k28 s ILE 480 Cb -0.15 -1.83 0.05 0.00 -1.58 0.00 0.00 42.46 38.95 1k28 s ILE 480 CO -0.01 0.54 -0.04 0.12 -1.23 0.00 0.00 174.94 174.32 1k28 s PHE 481 N 1.12 1.81 -0.15 3.97 5.36 -1.26 -5.11 117.98 123.71 1k28 s PHE 481 Ca 0.00 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.74 1k28 s PHE 481 Cb -0.14 -1.36 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1k28 s PHE 481 CO -0.09 -0.66 -0.15 0.14 -1.46 0.00 0.00 175.22 173.01 1k28 s VAL 482 N 1.59 1.63 0.25 3.12 -7.23 -1.26 -5.01 120.40 113.49 1k28 s VAL 482 Ca -0.01 -0.67 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1k28 s VAL 482 Cb -0.16 -1.52 0.12 0.00 0.56 0.00 0.00 36.38 35.37 1k28 s VAL 482 CO -0.07 0.46 1.76 0.03 -0.31 0.00 0.00 175.10 176.97 1k28 h ARG 483 N 8.04 0.85 0.00 4.82 2.47 -2.01 -3.45 114.38 125.10 1k28 h ARG 483 Ca -0.39 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1k28 h ARG 483 Cb 1.14 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1k28 h ARG 483 CO 0.54 0.82 0.00 0.41 0.56 0.00 0.00 179.97 182.30 1k28 n GLY 484 N -0.68 1.34 3.92 0.04 0.00 -1.26 -5.08 105.19 103.47 1k28 n GLY 484 Ca 0.03 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1k28 n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k28 s ASP 485 N -1.00 6.06 -0.14 1.61 1.01 -1.26 -5.08 116.67 117.87 1k28 s ASP 485 Ca 0.00 0.75 0.02 0.00 0.71 0.00 0.00 52.55 54.03 1k28 s ASP 485 Cb 0.00 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1k28 s ASP 485 CO 0.00 -0.67 -0.19 -0.70 0.21 0.00 0.00 175.17 173.82 1k28 s GLU 486 N -4.73 2.72 -0.12 8.23 2.56 -1.26 -5.09 118.70 121.01 1k28 s GLU 486 Ca 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1k28 s GLU 486 Cb -0.10 -2.29 0.02 0.00 2.00 0.00 0.00 34.13 33.76 1k28 s GLU 486 CO 0.43 -0.11 -0.11 0.99 -0.56 0.00 0.00 175.26 175.91 1k28 s THR 487 N 1.07 1.27 -0.04 -1.70 2.01 -1.26 -5.12 115.64 111.87 1k28 s THR 487 Ca -0.02 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1k28 s THR 487 Cb -0.14 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1k28 s THR 487 CO -0.06 0.41 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.38 1k28 s LYS 488 N 1.51 1.61 -0.08 4.92 2.20 -1.26 -5.12 119.74 123.52 1k28 s LYS 488 Ca 0.03 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1k28 s LYS 488 Cb -0.13 -1.40 0.01 0.00 -1.51 0.00 0.00 37.83 34.80 1k28 s LYS 488 CO -0.08 0.18 -0.14 0.99 -0.36 0.00 0.00 175.35 175.94 1k28 s THR 489 N 0.17 1.32 -0.23 3.43 2.01 -1.26 -5.10 115.64 115.98 1k28 s THR 489 Ca -0.06 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1k28 s THR 489 Cb -0.12 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.25 1k28 s THR 489 CO 0.02 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 1k28 s VAL 490 N 0.75 1.63 -0.05 3.82 1.01 -1.26 -5.00 120.40 121.31 1k28 s VAL 490 Ca -0.12 -1.22 0.23 0.00 0.00 0.00 0.00 61.98 60.87 1k28 s VAL 490 Cb -0.16 -1.83 0.23 0.00 0.00 0.00 0.00 36.38 34.62 1k28 s VAL 490 CO 0.03 -0.02 1.71 -0.33 0.00 0.00 0.00 175.10 176.48 1k28 h GLU 491 N 7.94 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 124.80 1k28 h GLU 491 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1k28 h GLU 491 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1k28 h GLU 491 CO 0.43 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 179.08 1k28 n GLY 492 N 0.59 1.17 3.90 -3.84 0.00 -1.26 -5.08 105.19 100.66 1k28 n GLY 492 Ca 0.01 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1k28 n GLY 492 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k28 s ASN 493 N -1.00 6.26 -0.16 1.61 0.01 -1.26 -5.10 114.94 115.31 1k28 s ASN 493 Ca 0.00 0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.39 1k28 s ASN 493 Cb 0.00 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 1k28 s ASN 493 CO 0.00 0.20 -0.08 -0.83 -1.51 0.00 0.00 177.10 174.88 1k28 s GLY 494 N -2.30 1.61 -0.07 0.66 0.00 -1.26 -5.09 107.32 100.86 1k28 s GLY 494 Ca 0.32 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1k28 s GLY 494 CO 0.24 -0.00 -0.10 -1.59 0.00 0.00 0.00 173.10 171.65 1k28 s THR 495 N 0.63 1.00 -0.07 0.90 2.01 -1.26 -5.13 115.64 113.72 1k28 s THR 495 Ca -0.05 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1k28 s THR 495 Cb -0.15 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1k28 s THR 495 CO 0.03 0.33 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 1k28 s ILE 496 N 0.90 0.79 -0.12 1.82 -1.09 -1.26 -5.12 121.20 117.12 1k28 s ILE 496 Ca -0.10 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1k28 s ILE 496 Cb -0.15 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.93 1k28 s ILE 496 CO 0.01 0.30 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.60 1k28 s LEU 497 N 1.25 1.99 -0.24 2.97 2.96 -1.26 -5.09 118.68 121.26 1k28 s LEU 497 Ca -0.05 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1k28 s LEU 497 Cb -0.14 -1.32 0.06 0.00 0.50 0.00 0.00 46.19 45.30 1k28 s LEU 497 CO -0.02 0.09 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.35 1k28 s VAL 498 N 0.71 1.61 0.18 1.68 1.01 -1.26 -5.00 120.40 119.32 1k28 s VAL 498 Ca -0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.48 1k28 s VAL 498 Cb -0.16 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.41 1k28 s VAL 498 CO 0.02 -0.11 1.64 0.11 0.00 0.00 0.00 175.10 176.76 1k28 h LYS 499 N 7.93 1.03 0.00 2.72 1.79 -2.08 -3.45 116.57 124.52 1k28 h LYS 499 Ca -0.18 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1k28 h LYS 499 Cb 1.07 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1k28 h LYS 499 CO 0.42 1.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.21 1k28 n GLY 500 N -0.45 1.11 3.99 3.86 0.00 -1.26 -5.09 105.19 107.35 1k28 n GLY 500 Ca 0.03 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1k28 n GLY 500 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k28 s ASN 501 N -1.00 5.50 -0.05 1.61 0.01 -1.26 -5.12 114.94 114.62 1k28 s ASN 501 Ca 0.00 -0.15 0.01 0.00 -0.71 0.00 0.00 52.86 52.01 1k28 s ASN 501 Cb 0.00 -0.86 0.02 0.00 0.41 0.00 0.00 41.25 40.82 1k28 s ASN 501 CO 0.00 -0.93 -0.05 -0.69 -1.51 0.00 0.00 177.10 173.92 1k28 s VAL 502 N -2.56 0.64 -0.12 1.60 1.01 -1.26 -5.06 120.40 114.64 1k28 s VAL 502 Ca 0.55 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1k28 s VAL 502 Cb -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1k28 s VAL 502 CO 0.36 0.25 -0.13 -0.89 0.00 0.00 0.00 175.10 174.69 1k28 s THR 503 N 0.99 1.41 -0.07 3.92 2.01 -1.26 -5.12 115.64 117.52 1k28 s THR 503 Ca -0.10 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1k28 s THR 503 Cb -0.14 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 1k28 s THR 503 CO -0.00 0.43 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.49 1k28 s ILE 504 N 1.32 2.14 -0.07 1.82 -1.09 -1.26 -5.11 121.20 118.96 1k28 s ILE 504 Ca 0.00 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1k28 s ILE 504 Cb -0.14 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1k28 s ILE 504 CO -0.06 0.57 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.53 1k28 s ILE 505 N -0.07 0.75 -0.22 2.92 1.01 -1.26 -5.10 121.20 119.23 1k28 s ILE 505 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1k28 s ILE 505 Cb -0.14 -0.77 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1k28 s ILE 505 CO 0.05 0.29 -0.06 -0.69 0.00 0.00 0.00 174.94 174.53 1k28 s VAL 506 N 1.27 1.45 -0.00 2.92 1.01 -1.26 -4.99 120.40 120.79 1k28 s VAL 506 Ca -0.05 -1.07 0.18 0.00 0.00 0.00 0.00 61.98 61.05 1k28 s VAL 506 Cb -0.14 -1.67 0.12 0.00 0.00 0.00 0.00 36.38 34.69 1k28 s VAL 506 CO -0.02 -0.02 1.61 -0.33 0.00 0.00 0.00 175.10 176.33 1k28 h GLU 507 N 7.99 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 124.85 1k28 h GLU 507 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1k28 h GLU 507 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1k28 h GLU 507 CO 0.42 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 1k28 n GLY 508 N 0.72 1.56 3.98 -3.84 0.00 -1.26 -5.09 105.19 101.25 1k28 n GLY 508 Ca 0.01 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 1k28 n GLY 508 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k28 s ASN 509 N -1.00 6.01 -0.15 1.61 0.01 -1.26 -5.10 114.94 115.07 1k28 s ASN 509 Ca 0.00 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.13 1k28 s ASN 509 Cb 0.00 -1.43 0.03 0.00 0.41 0.00 0.00 41.25 40.27 1k28 s ASN 509 CO 0.00 -0.42 -0.08 0.00 -1.51 0.00 0.00 177.10 175.08 1k28 s ALA 510 N -2.23 1.53 -0.11 0.60 0.00 -1.26 -5.06 121.76 115.23 1k28 s ALA 510 Ca 0.44 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1k28 s ALA 510 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1k28 s ALA 510 CO 0.32 -0.58 -0.19 -0.51 0.00 0.00 0.00 175.76 174.81 1k28 s ASP 511 N 1.62 2.69 -0.04 0.00 1.01 -1.26 -5.12 116.67 115.56 1k28 s ASP 511 Ca 0.03 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 52.83 1k28 s ASP 511 Cb -0.14 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.57 1k28 s ASP 511 CO -0.08 0.07 -0.13 -0.63 0.21 0.00 0.00 175.17 174.60 1k28 s ILE 512 N 0.76 1.13 -0.09 0.77 1.01 -1.26 -5.13 121.20 118.40 1k28 s ILE 512 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1k28 s ILE 512 Cb -0.16 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1k28 s ILE 512 CO 0.01 0.34 -0.09 -0.89 0.00 0.00 0.00 174.94 174.31 1k28 s THR 513 N 0.17 1.04 -0.25 2.92 2.01 -1.26 -5.11 115.64 115.16 1k28 s THR 513 Ca -0.05 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1k28 s THR 513 Cb -0.11 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.44 1k28 s THR 513 CO 0.02 0.35 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.50 1k28 s VAL 514 N 1.23 2.25 0.19 3.82 1.01 -1.26 -5.00 120.40 122.65 1k28 s VAL 514 Ca -0.04 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1k28 s VAL 514 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1k28 s VAL 514 CO -0.03 0.07 1.53 0.11 0.00 0.00 0.00 175.10 176.78 1k28 h LYS 515 N 7.83 0.61 0.00 2.72 1.79 -2.07 -3.45 116.57 124.00 1k28 h LYS 515 Ca -0.24 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1k28 h LYS 515 Cb 1.06 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1k28 h LYS 515 CO 0.50 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 180.24 1k28 n GLY 516 N 0.15 1.42 3.89 3.86 0.00 -1.26 -5.06 105.19 108.19 1k28 n GLY 516 Ca -0.03 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1k28 n GLY 516 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k28 s ASP 517 N -1.00 6.48 -0.08 1.61 1.01 -1.26 -5.09 116.67 118.34 1k28 s ASP 517 Ca 0.00 0.53 -0.01 0.00 0.71 0.00 0.00 52.55 53.78 1k28 s ASP 517 Cb 0.00 -2.08 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 1k28 s ASP 517 CO 0.00 0.23 -0.02 0.00 0.21 0.00 0.00 175.17 175.59 1k28 s ALA 518 N -1.35 3.21 -0.03 5.23 0.00 -1.26 -5.11 121.76 122.46 1k28 s ALA 518 Ca 0.29 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1k28 s ALA 518 Cb -0.13 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1k28 s ALA 518 CO 0.18 0.58 0.03 0.99 0.00 0.00 0.00 175.76 177.54 1k28 s THR 519 N -0.85 -0.01 -0.08 0.00 2.01 -1.26 -5.14 115.64 110.32 1k28 s THR 519 Ca 0.13 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1k28 s THR 519 Cb -0.11 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1k28 s THR 519 CO 0.02 0.12 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.05 1k28 s THR 520 N 1.22 1.18 -0.07 -0.82 2.01 -1.26 -5.12 115.64 112.78 1k28 s THR 520 Ca -0.07 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1k28 s THR 520 Cb -0.13 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.30 1k28 s THR 520 CO -0.03 0.37 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.94 1k28 s LEU 521 N 0.80 1.56 -0.13 4.42 2.96 -1.26 -5.11 118.68 121.92 1k28 s LEU 521 Ca -0.12 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1k28 s LEU 521 Cb -0.15 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.76 1k28 s LEU 521 CO 0.02 0.00 -0.04 0.54 -1.32 0.00 0.00 176.35 175.56 1k28 s VAL 522 N 0.85 0.85 0.09 1.68 0.11 -1.26 -5.03 120.40 117.69 1k28 s VAL 522 Ca -0.11 -0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 58.41 1k28 s VAL 522 Cb -0.15 -1.01 -0.07 0.00 -1.53 0.00 0.00 36.38 33.61 1k28 s VAL 522 CO 0.01 0.19 1.52 -0.33 -3.33 0.00 0.00 175.10 173.17 1k28 h GLU 523 N 8.20 0.49 0.00 1.54 4.39 -2.07 -3.45 114.58 123.68 1k28 h GLU 523 Ca -0.24 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1k28 h GLU 523 Cb 1.12 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1k28 h GLU 523 CO 0.36 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 179.28 1k28 n GLY 524 N -0.30 0.92 3.91 -3.84 0.00 -1.26 -5.06 105.19 99.56 1k28 n GLY 524 Ca -0.03 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1k28 n GLY 524 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k28 s ASN 525 N -1.00 6.42 -0.09 1.61 0.01 -1.26 -5.10 114.94 115.52 1k28 s ASN 525 Ca 0.00 0.44 0.02 0.00 -0.71 0.00 0.00 52.86 52.61 1k28 s ASN 525 Cb 0.00 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.65 1k28 s ASN 525 CO 0.00 0.03 -0.14 -1.58 -1.51 0.00 0.00 177.10 173.90 1k28 s GLN 526 N -2.92 2.05 -0.14 -0.60 0.74 -1.26 -5.09 119.66 112.44 1k28 s GLN 526 Ca 0.39 -0.51 -0.00 0.00 0.05 0.00 0.00 55.36 55.28 1k28 s GLN 526 Cb -0.12 -1.74 0.03 0.00 1.10 0.00 0.00 33.01 32.29 1k28 s GLN 526 CO 0.27 -0.04 -0.07 0.99 -0.55 0.00 0.00 175.29 175.89 1k28 s THR 527 N 0.90 1.11 -0.18 -0.34 2.01 -1.26 -5.12 115.64 112.77 1k28 s THR 527 Ca -0.09 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1k28 s THR 527 Cb -0.15 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1k28 s THR 527 CO 0.00 0.27 -0.01 0.20 -0.69 0.00 0.00 174.62 174.38 1k28 s ASN 528 N 1.65 4.86 -0.11 3.53 -0.87 -1.26 -5.10 114.94 117.64 1k28 s ASN 528 Ca 0.03 -0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.19 1k28 s ASN 528 Cb -0.14 -1.81 0.01 0.00 -0.02 0.00 0.00 41.25 39.29 1k28 s ASN 528 CO -0.08 0.12 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.49 1k28 s THR 529 N 0.66 1.79 -0.20 1.60 2.01 -1.26 -5.10 115.64 115.14 1k28 s THR 529 Ca -0.01 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 1k28 s THR 529 Cb -0.14 -1.59 0.05 0.00 0.01 0.00 0.00 72.50 70.83 1k28 s THR 529 CO 0.02 0.50 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 1k28 s VAL 530 N 0.75 1.01 -2.23 3.82 1.01 -1.26 -4.99 120.40 118.52 1k28 s VAL 530 Ca -0.10 -0.78 0.27 0.00 0.00 0.00 0.00 61.98 61.36 1k28 s VAL 530 Cb -0.16 -1.34 0.64 0.00 0.00 0.00 0.00 36.38 35.52 1k28 s VAL 530 CO 0.01 -0.07 1.85 0.59 0.00 0.00 0.00 175.10 177.48 1k28 n ASN 531 N 4.88 0.85 0.00 3.32 3.02 -1.26 -4.78 115.26 121.29 1k28 n ASN 531 Ca -0.11 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1k28 n ASN 531 Cb 0.46 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1k28 n ASN 531 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k28 n GLY 532 N 1.06 2.44 3.58 7.41 0.00 -1.26 -5.11 105.19 113.31 1k28 n GLY 532 Ca 0.19 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1k28 n GLY 532 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k28 s ASN 533 N 0.20 4.65 -0.16 1.61 0.02 -1.26 -5.11 114.94 114.89 1k28 s ASN 533 Ca 0.00 -0.03 -0.06 0.00 -1.02 0.00 0.00 52.86 51.75 1k28 s ASN 533 Cb 0.00 -1.17 -0.04 0.00 0.02 0.00 0.00 41.25 40.07 1k28 s ASN 533 CO 0.00 0.36 0.06 -0.22 0.02 0.00 0.00 177.10 177.32 1k28 s LEU 534 N -0.84 3.85 -0.01 0.60 2.96 -1.26 -5.10 118.68 118.88 1k28 s LEU 534 Ca 0.13 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1k28 s LEU 534 Cb -0.11 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1k28 s LEU 534 CO 0.02 0.24 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.73 1k28 s SER 535 N -0.03 0.32 -0.11 3.68 0.15 -1.26 -5.14 113.70 111.31 1k28 s SER 535 Ca 0.06 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1k28 s SER 535 Cb -0.12 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1k28 s SER 535 CO 0.01 -0.03 -0.17 0.26 1.20 0.00 0.00 173.24 174.50 1k28 s TRP 536 N 0.45 2.14 -0.25 3.44 0.52 -1.26 -5.10 118.94 118.88 1k28 s TRP 536 Ca -0.04 -0.99 0.02 0.00 0.02 0.00 0.00 56.10 55.10 1k28 s TRP 536 Cb -0.07 -1.51 0.06 0.00 -1.15 0.00 0.00 33.47 30.81 1k28 s TRP 536 CO -0.01 -0.48 -0.06 0.21 0.02 0.00 0.00 176.95 176.63 1k28 s LYS 537 N 0.84 1.79 -0.24 4.98 2.36 -1.26 -5.09 119.74 123.12 1k28 s LYS 537 Ca -0.09 -1.18 0.02 0.00 -2.55 0.00 0.00 55.97 52.17 1k28 s LYS 537 Cb -0.15 -2.72 0.05 0.00 -1.05 0.00 0.00 37.83 33.96 1k28 s LYS 537 CO 0.00 -0.63 -0.11 0.08 1.55 0.00 0.00 175.35 176.25 1k28 s VAL 538 N 1.27 1.95 0.26 4.02 1.01 -1.26 -5.00 120.40 122.65 1k28 s VAL 538 Ca -0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1k28 s VAL 538 Cb -0.19 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1k28 s VAL 538 CO -0.06 0.05 1.72 0.00 0.00 0.00 0.00 175.10 176.81 1k28 h ALA 539 N 7.86 1.06 -3.00 5.51 0.00 -2.08 -3.45 119.26 125.16 1k28 h ALA 539 Ca -0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1k28 h ALA 539 Cb 1.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1k28 h ALA 539 CO 0.47 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1k28 n GLY 540 N -0.48 1.34 3.94 0.00 0.00 -1.26 -5.09 105.19 103.64 1k28 n GLY 540 Ca 0.01 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 1k28 n GLY 540 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k28 s THR 541 N 1.36 4.32 -0.03 2.61 -4.23 -1.26 -5.10 115.64 113.30 1k28 s THR 541 Ca 0.00 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1k28 s THR 541 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1k28 s THR 541 CO 0.00 -0.49 -0.10 0.68 -0.54 0.00 0.00 174.62 174.17 1k28 s VAL 542 N -2.61 0.87 -0.02 2.29 -7.23 -1.26 -5.09 120.40 107.35 1k28 s VAL 542 Ca 0.47 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 60.28 1k28 s VAL 542 Cb -0.10 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 1k28 s VAL 542 CO 0.40 0.27 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.74 1k28 s ASP 543 N 0.27 1.27 -0.08 4.85 -1.08 -1.26 -5.14 116.67 115.51 1k28 s ASP 543 Ca -0.05 -0.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.83 1k28 s ASP 543 Cb -0.10 -0.29 -0.00 0.00 -1.46 0.00 0.00 42.92 41.07 1k28 s ASP 543 CO 0.01 0.09 -0.22 0.26 0.52 0.00 0.00 175.17 175.82 1k28 s TRP 544 N 0.06 2.33 -0.35 -5.34 0.52 -1.26 -5.08 118.94 109.82 1k28 s TRP 544 Ca -0.01 -0.85 0.01 0.00 0.02 0.00 0.00 56.10 55.27 1k28 s TRP 544 Cb -0.07 -1.56 0.11 0.00 -1.15 0.00 0.00 33.47 30.80 1k28 s TRP 544 CO 0.00 -0.32 0.11 0.34 0.02 0.00 0.00 176.95 177.11 1k28 s ASP 545 N 0.20 4.21 -0.19 2.95 2.15 -1.26 -5.10 116.67 119.62 1k28 s ASP 545 Ca -0.13 -2.03 -0.03 0.00 0.43 0.00 0.00 52.55 50.80 1k28 s ASP 545 Cb -0.16 -1.16 -0.01 0.00 -0.30 0.00 0.00 42.92 41.29 1k28 s ASP 545 CO 0.06 -0.37 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.94 1k28 s VAL 546 N 1.10 3.33 0.04 1.11 1.01 -1.26 -5.01 120.40 120.72 1k28 s VAL 546 Ca 0.12 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 1k28 s VAL 546 Cb -0.19 -2.48 -0.19 0.00 0.00 0.00 0.00 36.38 33.51 1k28 s VAL 546 CO -0.15 0.46 1.20 1.23 0.00 0.00 0.00 175.10 177.85 1k28 h GLY 547 N 7.61 0.58 0.00 4.51 0.00 -2.08 -3.47 103.07 110.22 1k28 h GLY 547 Ca -0.37 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.11 1k28 h GLY 547 CO 0.60 0.76 0.00 0.61 0.00 0.00 0.00 176.54 178.51 1k28 n GLY 548 N 0.80 0.94 3.81 4.60 0.00 -1.26 -5.07 105.19 109.01 1k28 n GLY 548 Ca -0.09 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1k28 n GLY 548 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k28 s ASP 549 N -1.00 7.06 -0.21 1.61 1.01 -1.26 -5.06 116.67 118.82 1k28 s ASP 549 Ca 0.00 1.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.80 1k28 s ASP 549 Cb 0.00 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 1k28 s ASP 549 CO 0.00 -0.12 -0.07 0.86 0.21 0.00 0.00 175.17 176.05 1k28 s TRP 550 N -1.77 2.93 -0.00 4.23 -0.00 -1.26 -5.10 118.94 117.96 1k28 s TRP 550 Ca 0.51 -1.04 0.02 0.00 -0.00 0.00 0.00 56.10 55.59 1k28 s TRP 550 Cb -0.14 -2.07 -0.01 0.00 -0.00 0.00 0.00 33.47 31.25 1k28 s TRP 550 CO 0.20 -0.58 -0.07 0.95 -0.00 0.00 0.00 176.95 177.44 1k28 s THR 551 N 1.43 0.56 -0.03 5.86 -4.23 -1.26 -5.15 115.64 112.82 1k28 s THR 551 Ca 0.05 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.08 1k28 s THR 551 Cb -0.14 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.25 1k28 s THR 551 CO -0.05 0.15 0.36 -1.83 -0.54 0.00 0.00 174.62 172.72 1k28 s GLU 552 N -0.19 0.70 -0.01 3.99 -1.05 -1.26 -5.16 118.70 115.72 1k28 s GLU 552 Ca 0.03 -0.07 0.01 0.00 -0.15 0.00 0.00 54.97 54.79 1k28 s GLU 552 Cb -0.03 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1k28 s GLU 552 CO -0.00 -0.19 -0.04 0.15 0.95 0.00 0.00 175.26 176.13 1k28 s LYS 553 N -1.17 0.46 0.21 -4.83 1.02 -1.26 -5.16 119.74 109.01 1k28 s LYS 553 Ca -0.12 -0.13 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 1k28 s LYS 553 Cb -0.04 -0.48 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 1k28 s LYS 553 CO 0.05 0.04 0.52 0.00 -0.92 0.00 0.00 175.35 175.04 1k28 s MET 554 N 0.23 1.44 0.10 1.68 0.23 -1.26 -5.06 119.30 116.66 1k28 s MET 554 Ca -0.02 -0.97 -0.25 0.00 -1.03 0.00 0.00 55.69 53.42 1k28 s MET 554 Cb -0.06 0.51 -0.12 0.00 -1.53 0.00 0.00 34.83 33.63 1k28 s MET 554 CO -0.00 -0.61 1.70 0.00 -2.03 0.00 0.00 175.02 174.07 1k28 h ALA 555 N 2.21 -0.20 -2.88 3.16 0.00 -2.10 -3.46 119.26 116.00 1k28 h ALA 555 Ca -0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1k28 h ALA 555 Cb 1.26 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 1k28 h ALA 555 CO 0.36 -0.63 0.05 -1.54 0.00 0.00 0.00 179.25 177.49 1k28 s SER 556 N -5.00 -0.30 -0.07 0.00 1.04 -1.26 -5.17 113.70 102.95 1k28 s SER 556 Ca -0.14 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1k28 s SER 556 Cb 0.07 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1k28 s SER 556 CO 0.66 -1.03 -0.16 -0.32 0.98 0.00 0.00 173.24 173.37 1k28 s MET 557 N -3.85 2.05 -0.37 4.02 0.00 -1.26 -5.08 119.30 114.80 1k28 s MET 557 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 55.69 55.19 1k28 s MET 557 Cb -0.01 -1.66 0.12 0.00 0.00 0.00 0.00 34.83 33.28 1k28 s MET 557 CO -0.05 0.12 0.18 0.45 0.00 0.00 0.00 175.02 175.72 1k28 s SER 558 N 0.41 3.72 -0.33 1.11 0.15 -1.26 -5.08 113.70 112.41 1k28 s SER 558 Ca -0.13 -2.16 -0.07 0.00 0.70 0.00 0.00 55.95 54.29 1k28 s SER 558 Cb -0.15 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.31 1k28 s SER 558 CO 0.05 -0.33 0.11 -0.55 1.20 0.00 0.00 173.24 173.72 1k28 s SER 559 N 0.97 5.34 -0.19 5.45 0.15 -1.26 -5.07 113.70 119.09 1k28 s SER 559 Ca 0.14 -1.02 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 1k28 s SER 559 Cb -0.21 -1.89 0.05 0.00 -1.71 0.00 0.00 66.02 62.26 1k28 s SER 559 CO -0.10 -0.31 -0.01 -0.63 1.20 0.00 0.00 173.24 173.39 1k28 s ILE 560 N 1.45 0.92 -0.01 6.45 1.01 -1.26 -5.12 121.20 124.63 1k28 s ILE 560 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1k28 s ILE 560 Cb -0.19 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1k28 s ILE 560 CO 0.03 -0.08 0.16 -0.94 0.00 0.00 0.00 174.94 174.11 1k28 s SER 561 N 1.69 6.20 0.34 3.58 1.04 -1.26 -4.97 113.70 120.32 1k28 s SER 561 Ca -0.02 0.30 0.25 0.00 0.48 0.00 0.00 55.95 56.97 1k28 s SER 561 Cb -0.17 -1.91 0.60 0.00 0.10 0.00 0.00 66.02 64.63 1k28 s SER 561 CO -0.07 0.27 1.70 0.77 0.98 0.00 0.00 173.24 176.89 1k28 h SER 562 N 3.95 0.00 0.00 7.02 4.64 -2.06 -3.46 113.55 123.64 1k28 h SER 562 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1k28 h SER 562 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1k28 h SER 562 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1k28 n GLY 563 N 1.11 2.50 3.78 -0.77 0.00 -1.26 -5.10 105.19 105.45 1k28 n GLY 563 Ca 0.04 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1k28 n GLY 563 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k28 s GLN 564 N 4.36 3.21 -0.31 1.61 2.00 -1.26 -5.04 119.66 124.23 1k28 s GLN 564 Ca 0.00 1.39 -0.01 0.00 -2.00 0.00 0.00 55.36 54.74 1k28 s GLN 564 Cb 0.00 -2.01 0.13 0.00 0.80 0.00 0.00 33.01 31.93 1k28 s GLN 564 CO 0.00 -0.92 0.25 -0.47 -0.50 0.00 0.00 175.29 173.65 1k28 s TYR 565 N -2.18 -0.07 0.04 1.67 5.04 -1.26 -4.88 117.35 115.71 1k28 s TYR 565 Ca 0.68 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.72 1k28 s TYR 565 Cb -0.20 -0.63 -0.03 0.00 0.35 0.00 0.00 41.96 41.45 1k28 s TYR 565 CO 0.34 -0.89 -0.15 -0.08 -1.34 0.00 0.00 175.55 173.43 1k28 s THR 566 N 1.99 3.03 -0.02 4.34 -1.32 -1.26 -5.12 115.64 117.29 1k28 s THR 566 Ca 0.11 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 59.53 1k28 s THR 566 Cb -0.16 -2.30 -0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1k28 s THR 566 CO -0.26 0.33 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.74 1k28 s ILE 567 N -0.97 0.96 -0.06 5.08 1.01 -1.26 -5.15 121.20 120.81 1k28 s ILE 567 Ca 0.16 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1k28 s ILE 567 Cb -0.11 -0.83 0.04 0.00 0.01 0.00 0.00 42.46 41.58 1k28 s ILE 567 CO 0.06 0.28 0.48 -0.62 0.00 0.00 0.00 174.94 175.15 1k28 s ASP 568 N -0.02 -0.42 -0.10 3.58 2.15 -1.26 -5.16 116.67 115.43 1k28 s ASP 568 Ca -0.00 0.50 -0.33 0.00 0.43 0.00 0.00 52.55 53.15 1k28 s ASP 568 Cb -0.08 0.55 0.13 0.00 -0.30 0.00 0.00 42.92 43.22 1k28 s ASP 568 CO 0.00 -0.44 1.24 -0.83 -0.17 0.00 0.00 175.17 174.97 1k28 s GLY 569 N -0.93 -0.35 0.23 2.66 0.00 -1.26 -5.03 107.32 102.64 1k28 s GLY 569 Ca -0.10 1.15 -0.10 0.00 0.00 0.00 0.00 44.72 45.67 1k28 s GLY 569 CO 0.05 0.33 1.63 1.48 0.00 0.00 0.00 173.10 176.59 1k28 h SER 570 N 2.00 -0.48 -4.67 1.64 4.64 -2.08 -3.40 113.55 111.19 1k28 h SER 570 Ca -0.19 0.19 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1k28 h SER 570 Cb 1.18 0.37 -0.23 0.00 -0.31 0.00 0.00 62.40 63.42 1k28 h SER 570 CO 0.25 -0.19 -0.72 -0.60 -0.87 0.00 0.00 176.83 174.70 1k28 s ARG 571 N -6.18 0.35 -0.20 4.77 3.52 -1.26 -5.14 118.95 114.81 1k28 s ARG 571 Ca -0.14 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1k28 s ARG 571 Cb 0.21 -0.08 0.05 0.00 -1.56 0.00 0.00 34.95 33.57 1k28 s ARG 571 CO 0.75 0.00 -0.04 0.42 -0.81 0.00 0.00 175.30 175.61 1k28 s ILE 572 N -1.14 1.21 -0.15 4.11 1.01 -1.26 -5.11 121.20 119.88 1k28 s ILE 572 Ca -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1k28 s ILE 572 Cb -0.08 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1k28 s ILE 572 CO -0.00 -0.01 0.02 -1.81 0.00 0.00 0.00 174.94 173.14 1k28 s ASP 573 N 1.56 5.29 -0.29 3.58 1.11 -1.26 -5.07 116.67 121.59 1k28 s ASP 573 Ca -0.02 0.05 0.02 0.00 0.18 0.00 0.00 52.55 52.78 1k28 s ASP 573 Cb -0.17 -1.78 0.07 0.00 1.07 0.00 0.00 42.92 42.11 1k28 s ASP 573 CO -0.07 0.24 -0.04 -0.63 1.18 0.00 0.00 175.17 175.85 1k28 s ILE 574 N -0.02 2.38 0.00 0.77 1.01 -1.26 -5.02 121.20 119.07 1k28 s ILE 574 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1k28 s ILE 574 Cb -0.13 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1k28 s ILE 574 CO 0.02 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1k28 n GLY 575 N 4.43 -0.16 0.47 6.18 0.00 -1.26 -5.08 105.19 109.77 1k28 n GLY 575 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k28 n GLY 575 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k28 n SER 576 N 1.94 0.00 -3.13 1.61 7.64 -1.26 -5.07 113.62 115.34 1k28 n SER 576 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1k28 n SER 576 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1k28 n SER 576 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k28 n HIS 583 N 0.34 -0.27 -0.94 1.43 -0.00 -1.26 -5.33 115.22 109.19 1k28 n HIS 583 Ca 0.00 -1.00 0.00 0.00 -0.00 0.00 0.00 57.72 56.72 1k28 n HIS 583 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 1k28 n HIS 583 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95