#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4p s PRO 12 N 0.00 2.85 0.18 -2.82 0.04 -1.26 -5.00 135.00 128.99 3m4p s PRO 12 Ca 0.00 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 3m4p s PRO 12 Cb 0.00 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3m4p s PRO 12 CO 0.00 -1.29 0.86 0.42 0.04 0.00 0.00 177.00 177.03 3m4p s ILE 13 N -1.72 4.30 0.22 0.56 1.01 -1.26 -5.03 121.20 119.28 3m4p s ILE 13 Ca 0.76 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 63.00 3m4p s ILE 13 Cb -0.29 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 3m4p s ILE 13 CO 0.35 0.48 1.16 -0.69 0.00 0.00 0.00 174.94 176.24 3m4p s VAL 14 N -0.93 3.51 -0.22 2.92 1.01 -1.26 -4.91 120.40 120.53 3m4p s VAL 14 Ca 0.39 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 3m4p s VAL 14 Cb -0.24 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3m4p s VAL 14 CO 0.29 0.26 0.97 0.00 0.00 0.00 0.00 175.10 176.62 3m4p s ASN 16 N 1.22 6.43 0.26 0.00 0.01 -1.26 -0.53 114.94 121.07 3m4p s ASN 16 Ca 0.42 0.02 -0.05 0.00 -0.71 0.00 0.00 52.86 52.53 3m4p s ASN 16 Cb -0.15 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 3m4p s ASN 16 CO 0.08 -0.77 0.36 0.27 -1.51 0.00 0.00 177.10 175.53 3m4p s ILE 17 N 3.02 0.00 0.60 0.60 -4.36 -1.14 -4.99 121.20 114.93 3m4p s ILE 17 Ca 0.27 -1.68 -0.04 0.00 -0.26 0.00 0.00 60.65 58.95 3m4p s ILE 17 Cb -0.13 -2.43 0.03 0.00 1.25 0.00 0.00 42.46 41.17 3m4p s ILE 17 CO 0.19 0.00 0.88 0.00 0.24 0.00 0.00 174.94 176.25 3m4p s ARG 18 N -3.76 2.64 0.44 0.37 1.70 -1.26 -4.51 118.95 114.57 3m4p s ARG 18 Ca 0.31 -0.29 0.24 0.00 -0.47 0.00 0.00 55.73 55.52 3m4p s ARG 18 Cb 0.02 -2.32 0.60 0.00 -0.57 0.00 0.00 34.95 32.68 3m4p s ARG 18 CO 0.14 -0.82 1.69 0.38 -1.08 0.00 0.00 175.30 175.62 3m4p h ASP 19 N -0.19 0.00 -0.98 -2.89 -0.00 -1.92 -2.80 116.42 107.65 3m4p h ASP 19 Ca -0.45 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 56.61 3m4p h ASP 19 Cb 1.28 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.56 3m4p h ASP 19 CO 0.59 0.10 0.64 0.00 -0.00 0.00 0.00 179.24 180.57 3m4p h ALA 20 N 1.90 1.27 0.00 4.15 0.00 -1.93 -2.85 119.26 121.79 3m4p h ALA 20 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3m4p h ALA 20 Cb 0.92 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3m4p h ALA 20 CO 0.01 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 179.39 3m4p h ALA 21 N 1.38 0.89 -2.43 0.00 0.00 -1.89 -3.45 119.26 113.75 3m4p h ALA 21 Ca 0.37 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 3m4p h ALA 21 Cb -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.66 3m4p h ALA 21 CO -0.10 0.57 1.17 0.20 0.00 0.00 0.00 179.25 181.10 3m4p s GLY 22 N -4.41 1.40 -0.44 0.00 0.00 -1.08 -4.91 107.32 97.88 3m4p s GLY 22 Ca 0.01 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.12 3m4p s GLY 22 CO 0.71 3.30 0.92 -0.10 0.00 0.00 0.00 173.10 177.93 3m4p n LEU 23 N 6.60 -2.52 -3.63 0.66 7.94 -1.26 -4.98 117.00 119.81 3m4p n LEU 23 Ca 0.19 -2.13 -0.04 0.00 -1.11 0.00 0.00 56.01 52.91 3m4p n LEU 23 Cb 0.40 0.67 -0.05 0.00 0.53 0.00 0.00 43.42 44.97 3m4p n LEU 23 CO 0.67 1.63 1.05 -1.83 -1.11 0.00 0.00 177.39 177.79 3m4p s GLU 24 N 0.85 0.21 -0.13 1.96 -1.05 -1.26 -5.04 118.70 114.24 3m4p s GLU 24 Ca 0.27 0.07 0.02 0.00 -0.15 0.00 0.00 54.97 55.19 3m4p s GLU 24 Cb 0.08 0.10 0.23 0.00 -0.44 0.00 0.00 34.13 34.10 3m4p s GLU 24 CO -0.09 -0.06 1.18 0.41 0.95 0.00 0.00 175.26 177.65 3m4p n GLY 25 N 0.72 2.57 1.91 -3.83 0.00 -1.26 -4.60 105.19 100.71 3m4p n GLY 25 Ca -0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3m4p n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4p n LYS 26 N 0.04 0.90 -3.04 1.61 5.02 -1.26 -4.62 118.16 116.81 3m4p n LYS 26 Ca 0.16 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.46 3m4p n LYS 26 Cb 0.79 -0.01 -0.05 0.00 -0.02 0.00 0.00 35.03 35.73 3m4p n LYS 26 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3m4p s LEU 27 N 0.00 4.41 0.04 -0.35 2.96 -1.26 -1.45 118.68 123.03 3m4p s LEU 27 Ca 0.25 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.50 3m4p s LEU 27 Cb -0.02 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 3m4p s LEU 27 CO 0.16 0.00 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.45 3m4p s VAL 28 N 0.13 0.34 -0.12 1.68 1.01 0.99 -1.93 120.40 122.49 3m4p s VAL 28 Ca 0.37 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3m4p s VAL 28 Cb -0.19 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3m4p s VAL 28 CO 0.21 -0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 173.81 3m4p s THR 29 N -1.75 1.17 0.10 3.92 2.01 0.31 -0.93 115.64 120.47 3m4p s THR 29 Ca -0.10 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.55 3m4p s THR 29 Cb -0.08 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3m4p s THR 29 CO -0.01 0.39 0.06 -0.36 -0.69 0.00 0.00 174.62 174.01 3m4p s PHE 30 N 1.57 3.09 -0.10 4.92 0.08 0.60 -2.89 117.98 125.26 3m4p s PHE 30 Ca 0.03 0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.12 3m4p s PHE 30 Cb -0.13 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3m4p s PHE 30 CO -0.08 0.51 -0.16 0.15 -0.10 0.00 0.00 175.22 175.54 3m4p s LYS 31 N -2.53 2.20 0.00 0.44 1.02 -1.26 -0.21 119.74 119.39 3m4p s LYS 31 Ca 0.28 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.71 3m4p s LYS 31 Cb -0.11 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3m4p s LYS 31 CO 0.21 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 3m4p n GLY 32 N 4.03 1.11 3.42 -3.33 0.00 -0.43 -4.65 105.19 105.34 3m4p n GLY 32 Ca -0.20 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3m4p n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m4p s TRP 33 N -1.54 2.50 -1.04 1.61 0.51 0.40 -0.37 118.94 121.00 3m4p s TRP 33 Ca 0.00 -0.30 -0.23 0.00 -2.12 0.00 0.00 56.10 53.46 3m4p s TRP 33 Cb 0.00 -1.47 0.02 0.00 -0.81 0.00 0.00 33.47 31.21 3m4p s TRP 33 CO 0.00 0.18 1.65 0.00 -0.51 0.00 0.00 176.95 178.27 3m4p s ALA 34 N -0.84 2.48 0.07 0.98 0.00 -0.04 -1.17 121.76 123.24 3m4p s ALA 34 Ca 0.13 -2.16 -0.21 0.00 0.00 0.00 0.00 51.96 49.72 3m4p s ALA 34 Cb -0.10 -4.56 -0.12 0.00 0.00 0.00 0.00 23.12 18.34 3m4p s ALA 34 CO 0.03 -3.98 1.53 -0.92 0.00 0.00 0.00 175.76 172.42 3m4p h TYR 35 N 9.83 0.27 -3.95 0.00 3.20 -1.58 0.59 116.97 125.34 3m4p h TYR 35 Ca 0.21 -0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 3m4p h TYR 35 Cb 0.98 -0.07 -0.22 0.00 1.54 0.00 0.00 36.73 38.96 3m4p h TYR 35 CO 1.28 0.43 -0.71 -1.58 -1.64 0.00 0.00 178.16 175.95 3m4p s HIS 36 N -5.16 0.27 -0.13 -3.82 2.46 -1.22 -4.67 115.29 103.02 3m4p s HIS 36 Ca -0.14 -0.45 -0.04 0.00 0.47 0.00 0.00 55.06 54.90 3m4p s HIS 36 Cb 0.06 -0.19 0.05 0.00 -0.13 0.00 0.00 32.58 32.38 3m4p s HIS 36 CO 0.71 -0.15 0.10 0.42 -2.47 0.00 0.00 174.74 173.35 3m4p s ILE 37 N -1.25 -0.14 -0.31 0.89 1.01 -1.26 -0.82 121.20 119.33 3m4p s ILE 37 Ca -0.13 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 3m4p s ILE 37 Cb -0.09 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 41.97 3m4p s ILE 37 CO -0.01 -0.09 0.08 -0.60 0.00 0.00 0.00 174.94 174.32 3m4p s ARG 38 N 2.18 2.92 -1.12 2.79 3.52 0.08 -4.99 118.95 124.33 3m4p s ARG 38 Ca 0.03 -0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 54.62 3m4p s ARG 38 Cb -0.14 -3.38 0.14 0.00 -1.56 0.00 0.00 34.95 30.00 3m4p s ARG 38 CO -0.07 -0.52 2.38 1.63 -0.81 0.00 0.00 175.30 177.91 3m4p n LYS 39 N 4.84 4.28 -0.31 5.12 5.02 -1.26 -0.44 118.16 135.41 3m4p n LYS 39 Ca -0.14 -3.42 0.15 0.00 -2.02 0.00 0.00 58.31 52.88 3m4p n LYS 39 Cb 0.47 -2.51 0.32 0.00 -0.02 0.00 0.00 35.03 33.29 3m4p n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m4p h ALA 40 N 4.22 1.42 -2.26 7.82 0.00 -1.94 -3.41 119.26 125.11 3m4p h ALA 40 Ca 0.63 0.21 -0.29 0.00 0.00 0.00 0.00 54.91 55.45 3m4p h ALA 40 Cb 0.37 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 3m4p h ALA 40 CO 1.33 -0.46 -0.67 1.03 0.00 0.00 0.00 179.25 180.47 3m4p s ARG 41 N -5.88 1.08 0.38 0.00 0.52 -0.83 -5.02 118.95 109.20 3m4p s ARG 41 Ca -0.12 -1.50 0.07 0.00 -0.52 0.00 0.00 55.73 53.66 3m4p s ARG 41 Cb 0.26 -0.34 0.79 0.00 0.52 0.00 0.00 34.95 36.19 3m4p s ARG 41 CO 0.78 -0.08 1.99 1.57 0.02 0.00 0.00 175.30 179.57 3m4p h LYS 42 N 2.73 0.66 -0.36 3.54 5.09 -2.01 -2.84 116.57 123.37 3m4p h LYS 42 Ca -0.37 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.33 3m4p h LYS 42 Cb 1.20 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3m4p h LYS 42 CO 0.63 0.44 0.00 -2.37 -2.09 0.00 0.00 179.45 176.06 3m4p n THR 43 N -4.47 0.79 -3.66 0.07 5.66 -1.26 -4.91 114.28 106.50 3m4p n THR 43 Ca 0.08 -0.90 -0.16 0.00 -3.05 0.00 0.00 64.05 60.03 3m4p n THR 43 Cb 0.19 0.67 -0.15 0.00 -1.55 0.00 0.00 70.33 69.49 3m4p n THR 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3m4p s LEU 44 N -1.05 -0.15 -0.01 1.09 2.96 -1.07 -0.95 118.68 119.49 3m4p s LEU 44 Ca 0.28 0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3m4p s LEU 44 Cb 0.15 0.42 -0.01 0.00 0.50 0.00 0.00 46.19 47.26 3m4p s LEU 44 CO 0.20 -0.25 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.26 3m4p s ILE 45 N 2.34 0.77 -0.24 6.68 1.01 0.17 -1.97 121.20 129.96 3m4p s ILE 45 Ca 0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3m4p s ILE 45 Cb -0.12 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 3m4p s ILE 45 CO -0.07 0.22 -0.01 -0.36 0.00 0.00 0.00 174.94 174.72 3m4p s PHE 46 N -0.13 3.02 -0.14 3.97 0.08 0.42 -0.05 117.98 125.15 3m4p s PHE 46 Ca 0.02 -0.99 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 3m4p s PHE 46 Cb -0.05 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 3m4p s PHE 46 CO -0.00 -0.56 -0.11 0.08 -0.10 0.00 0.00 175.22 174.53 3m4p s VAL 47 N 1.47 3.24 -0.65 -0.44 1.01 0.20 -0.74 120.40 124.50 3m4p s VAL 47 Ca 0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3m4p s VAL 47 Cb -0.15 -2.38 0.16 0.00 0.00 0.00 0.00 36.38 34.01 3m4p s VAL 47 CO -0.02 0.51 0.60 -1.61 0.00 0.00 0.00 175.10 174.59 3m4p s GLU 48 N 0.40 3.21 0.16 2.72 0.41 0.00 -0.37 118.70 125.24 3m4p s GLU 48 Ca -0.09 -1.98 -0.29 0.00 -0.41 0.00 0.00 54.97 52.20 3m4p s GLU 48 Cb -0.15 -4.35 -0.07 0.00 -1.78 0.00 0.00 34.13 27.78 3m4p s GLU 48 CO 0.05 -1.32 0.91 -1.17 -0.49 0.00 0.00 175.26 173.24 3m4p s LEU 49 N 1.09 4.56 -0.12 1.80 2.96 -0.46 -1.45 118.68 127.05 3m4p s LEU 49 Ca 0.09 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 3m4p s LEU 49 Cb -0.23 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 3m4p s LEU 49 CO -0.01 0.06 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.28 3m4p s ARG 50 N -0.58 3.14 0.00 1.98 3.52 -0.31 -1.66 118.95 125.04 3m4p s ARG 50 Ca 0.43 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3m4p s ARG 50 Cb -0.24 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3m4p s ARG 50 CO 0.29 0.11 0.73 -0.40 -0.81 0.00 0.00 175.30 175.22 3m4p n ASP 51 N 3.74 1.47 0.00 -2.12 5.68 -1.13 -0.46 116.55 123.73 3m4p n ASP 51 Ca -0.19 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3m4p n ASP 51 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3m4p n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m4p n GLY 52 N -0.17 2.68 0.02 6.12 0.00 -1.26 -4.79 105.19 107.79 3m4p n GLY 52 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3m4p n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m4p n SER 53 N 0.00 0.05 0.00 1.61 7.64 -1.26 -5.08 113.62 116.57 3m4p n SER 53 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3m4p n SER 53 Cb 0.00 1.85 0.00 0.00 -1.01 0.00 0.00 64.21 65.05 3m4p n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m4p n GLY 54 N 1.29 -0.66 3.14 0.23 0.00 -1.26 -4.33 105.19 103.60 3m4p n GLY 54 Ca -0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3m4p n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m4p s TYR 55 N -3.69 0.78 -0.15 1.61 2.02 -0.30 -2.82 117.35 114.81 3m4p s TYR 55 Ca 0.00 -1.07 -0.13 0.00 -0.37 0.00 0.00 57.07 55.50 3m4p s TYR 55 Cb 0.00 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.12 3m4p s TYR 55 CO 0.00 -0.34 0.39 0.00 -1.57 0.00 0.00 175.55 174.03 3m4p s GLN 57 N 0.43 4.09 -0.24 0.00 0.74 -1.26 -1.35 119.66 122.07 3m4p s GLN 57 Ca -0.02 0.72 -0.04 0.00 0.05 0.00 0.00 55.36 56.08 3m4p s GLN 57 Cb -0.04 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.40 3m4p s GLN 57 CO -0.02 -0.54 -0.03 0.00 -0.55 0.00 0.00 175.29 174.15 3m4p s VAL 59 N 1.44 5.11 -0.05 0.00 -7.23 -0.50 -0.63 120.40 118.55 3m4p s VAL 59 Ca 0.04 0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 60.58 3m4p s VAL 59 Cb -0.15 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 3m4p s VAL 59 CO -0.03 0.03 0.43 -0.63 -0.31 0.00 0.00 175.10 174.60 3m4p s ILE 60 N 2.19 5.09 -0.04 -0.62 1.01 0.93 -1.86 121.20 127.90 3m4p s ILE 60 Ca 0.17 0.88 -0.09 0.00 0.00 0.00 0.00 60.65 61.61 3m4p s ILE 60 Cb -0.16 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3m4p s ILE 60 CO 0.11 0.47 0.20 0.12 0.00 0.00 0.00 174.94 175.83 3m4p s PHE 61 N -0.30 -0.11 0.00 3.97 5.36 -1.26 -0.65 117.98 124.98 3m4p s PHE 61 Ca 0.24 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 3m4p s PHE 61 Cb -0.16 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 3m4p s PHE 61 CO 0.12 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 174.06 3m4p n GLY 62 N 2.06 2.29 0.20 13.12 0.00 -0.13 -4.44 105.19 118.29 3m4p n GLY 62 Ca -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3m4p n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4p h LYS 63 N 0.00 0.17 -0.22 1.61 1.79 -1.92 -2.22 116.57 115.78 3m4p h LYS 63 Ca 0.00 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 3m4p h LYS 63 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3m4p h LYS 63 CO 0.00 0.49 -0.42 1.49 -1.08 0.00 0.00 179.45 179.93 3m4p h GLU 64 N 0.15 0.67 -0.01 3.15 4.81 -1.97 -2.53 114.58 118.84 3m4p h GLU 64 Ca 0.02 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3m4p h GLU 64 Cb 0.66 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3m4p h GLU 64 CO 0.05 1.05 -0.08 1.28 -0.73 0.00 0.00 179.01 180.58 3m4p n LEU 65 N -4.20 1.00 -0.75 1.64 4.77 -1.22 -3.74 117.00 114.49 3m4p n LEU 65 Ca -0.05 -0.28 0.04 0.00 -0.03 0.00 0.00 56.01 55.68 3m4p n LEU 65 Cb 0.55 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.76 3m4p n LEU 65 CO 0.46 0.17 0.33 0.00 -1.33 0.00 0.00 177.39 177.03 3m4p n GLU 67 N -1.03 2.33 -0.29 0.00 2.13 -0.96 -4.79 120.64 118.04 3m4p n GLU 67 Ca 0.20 0.85 0.06 0.00 0.66 0.00 0.00 57.16 58.93 3m4p n GLU 67 Cb 0.73 -2.74 0.28 0.00 0.27 0.00 0.00 31.44 29.97 3m4p n GLU 67 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3m4p h PRO 68 N 9.75 0.91 0.00 5.31 0.13 -1.95 0.05 132.00 146.19 3m4p h PRO 68 Ca -0.48 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3m4p h PRO 68 Cb 1.26 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3m4p h PRO 68 CO 0.95 0.60 -0.17 1.05 -0.23 0.00 0.00 178.00 180.20 3m4p h GLU 69 N 0.93 0.00 0.15 0.86 4.11 -2.02 -1.43 114.58 117.18 3m4p h GLU 69 Ca 0.40 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.53 3m4p h GLU 69 Cb 0.32 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.59 3m4p h GLU 69 CO -0.16 0.17 -1.29 -0.22 0.07 0.00 0.00 179.01 177.58 3m4p h LYS 70 N 0.00 0.55 0.00 1.06 3.64 -1.40 -3.35 116.57 117.07 3m4p h LYS 70 Ca -0.00 -0.79 -0.04 0.00 -1.27 0.00 0.00 60.65 58.54 3m4p h LYS 70 Cb 0.43 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3m4p h LYS 70 CO 0.02 1.36 -0.21 0.28 -2.27 0.00 0.00 179.45 178.63 3m4p h VAL 71 N 0.22 1.13 0.00 2.00 2.07 -0.31 -2.98 116.25 118.37 3m4p h VAL 71 Ca -0.19 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3m4p h VAL 71 Cb 1.97 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3m4p h VAL 71 CO 0.24 0.20 0.00 2.29 0.02 0.00 0.00 177.57 180.32 3m4p n LYS 72 N -4.26 0.19 0.10 1.57 2.85 -0.67 -0.59 118.16 117.35 3m4p n LYS 72 Ca -0.02 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.80 3m4p n LYS 72 Cb 0.27 -1.87 0.28 0.00 -0.65 0.00 0.00 35.03 33.06 3m4p n LYS 72 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3m4p h LEU 73 N 0.00 0.00 -8.11 -5.58 3.38 -1.74 -3.42 115.31 99.83 3m4p h LEU 73 Ca 0.00 -0.07 -0.61 0.00 0.09 0.00 0.00 57.88 57.29 3m4p h LEU 73 Cb 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 3m4p h LEU 73 CO 0.00 0.04 1.40 -0.22 0.09 0.00 0.00 178.44 179.75 3m4p s LEU 74 N -4.64 3.63 0.27 1.67 2.96 0.24 -4.65 118.68 118.16 3m4p s LEU 74 Ca 0.08 -1.44 0.08 0.00 -0.22 0.00 0.00 54.13 52.63 3m4p s LEU 74 Cb 0.12 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3m4p s LEU 74 CO 0.66 -1.49 -0.10 0.42 -1.32 0.00 0.00 176.35 174.52 3m4p s THR 75 N 4.80 1.83 0.29 3.68 -4.23 -1.26 -5.05 115.64 115.71 3m4p s THR 75 Ca 0.44 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.46 3m4p s THR 75 Cb -0.01 -2.36 -0.12 0.00 1.34 0.00 0.00 72.50 71.35 3m4p s THR 75 CO -0.08 -0.37 1.51 -1.14 -0.54 0.00 0.00 174.62 174.00 3m4p n ARG 76 N -0.57 2.49 -1.41 3.99 0.63 -1.26 -1.73 116.66 118.80 3m4p n ARG 76 Ca -0.06 0.88 -0.14 0.00 -0.92 0.00 0.00 57.85 57.61 3m4p n ARG 76 Cb 0.62 -2.61 -0.06 0.00 0.45 0.00 0.00 32.46 30.86 3m4p n ARG 76 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3m4p n GLU 77 N 1.81 -1.36 -1.65 -0.14 -0.58 0.21 -4.81 120.64 114.12 3m4p n GLU 77 Ca 0.08 0.98 -0.31 0.00 -0.42 0.00 0.00 57.16 57.49 3m4p n GLU 77 Cb 0.36 -5.25 0.04 0.00 -0.57 0.00 0.00 31.44 26.02 3m4p n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m4p s SER 79 N -3.88 5.32 0.00 0.00 1.04 -0.47 -0.86 113.70 114.85 3m4p s SER 79 Ca 0.57 0.07 0.01 0.00 0.48 0.00 0.00 55.95 57.08 3m4p s SER 79 Cb -0.13 -1.46 -0.00 0.00 0.10 0.00 0.00 66.02 64.53 3m4p s SER 79 CO 0.55 0.30 -0.02 -0.76 0.98 0.00 0.00 173.24 174.28 3m4p s LEU 80 N -1.50 2.04 -0.36 2.42 1.43 0.50 -0.22 118.68 122.99 3m4p s LEU 80 Ca 0.19 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 3m4p s LEU 80 Cb -0.12 -0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.05 3m4p s LEU 80 CO 0.10 -0.03 0.22 -0.70 0.23 0.00 0.00 176.35 176.17 3m4p s GLU 81 N -0.28 3.09 -0.10 1.70 2.12 -0.83 -1.32 118.70 123.08 3m4p s GLU 81 Ca -0.02 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.43 3m4p s GLU 81 Cb -0.02 -3.75 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3m4p s GLU 81 CO -0.00 -0.59 -0.18 -1.50 -0.54 0.00 0.00 175.26 172.44 3m4p s ILE 82 N 1.62 1.68 -0.03 -3.70 2.07 0.70 -1.93 121.20 121.61 3m4p s ILE 82 Ca 0.04 -0.77 0.07 0.00 -1.41 0.00 0.00 60.65 58.57 3m4p s ILE 82 Cb -0.18 -1.49 -0.01 0.00 0.13 0.00 0.00 42.46 40.90 3m4p s ILE 82 CO 0.08 0.48 -0.23 -0.89 -1.91 0.00 0.00 174.94 172.46 3m4p s THR 83 N 0.69 1.83 0.02 4.00 2.01 0.14 -0.29 115.64 124.05 3m4p s THR 83 Ca -0.12 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 3m4p s THR 83 Cb -0.16 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 70.86 3m4p s THR 83 CO 0.03 0.52 0.51 0.61 -0.69 0.00 0.00 174.62 175.59 3m4p n GLY 84 N 2.68 0.66 3.58 4.40 0.00 -0.11 -0.31 105.19 116.09 3m4p n GLY 84 Ca -0.16 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 3m4p n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m4p s ARG 85 N -2.01 3.89 -0.46 1.61 3.52 -0.72 -0.01 118.95 124.76 3m4p s ARG 85 Ca 0.12 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 3m4p s ARG 85 Cb -0.01 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3m4p s ARG 85 CO 0.01 0.06 1.17 -0.51 -0.81 0.00 0.00 175.30 175.22 3m4p s LEU 86 N 0.98 3.64 0.28 -0.88 1.43 -0.53 -1.13 118.68 122.48 3m4p s LEU 86 Ca 0.05 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 3m4p s LEU 86 Cb -0.14 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3m4p s LEU 86 CO 0.03 -1.26 0.30 0.20 0.23 0.00 0.00 176.35 175.85 3m4p s ASN 87 N 2.61 5.76 0.47 2.29 -0.87 0.91 -4.18 114.94 121.93 3m4p s ASN 87 Ca 0.50 -0.21 -0.13 0.00 -1.57 0.00 0.00 52.86 51.45 3m4p s ASN 87 Cb -0.08 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.25 39.67 3m4p s ASN 87 CO 0.31 -0.17 0.88 0.00 -2.57 0.00 0.00 177.10 175.56 3m4p s ALA 88 N -2.13 3.20 0.43 0.60 0.00 -1.26 0.43 121.76 123.03 3m4p s ALA 88 Ca 0.37 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 3m4p s ALA 88 Cb -0.08 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 3m4p s ALA 88 CO 0.27 -0.14 1.23 0.71 0.00 0.00 0.00 175.76 177.83 3m4p s TYR 89 N -2.52 2.86 0.00 0.00 2.02 -1.26 -4.77 117.35 113.67 3m4p s TYR 89 Ca 0.55 1.48 -0.00 0.00 -0.37 0.00 0.00 57.07 58.74 3m4p s TYR 89 Cb -0.10 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 3m4p s TYR 89 CO 0.32 -1.78 0.00 0.00 -1.57 0.00 0.00 175.55 172.52 3m4p n ALA 90 N -0.17 -0.00 0.03 3.71 0.00 -1.26 -4.98 120.51 117.84 3m4p n ALA 90 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 3m4p n ALA 90 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 3m4p n ALA 90 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m4p h GLY 91 N -0.49 -0.91 0.49 0.00 0.00 -2.05 -3.36 103.07 96.75 3m4p h GLY 91 Ca -0.00 0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.62 3m4p h GLY 91 CO 0.00 -0.33 -0.48 0.07 0.00 0.00 0.00 176.54 175.80 3m4p h LYS 92 N -0.11 0.22 -6.23 4.80 2.10 -2.05 -3.45 116.57 111.84 3m4p h LYS 92 Ca -0.01 -0.32 -0.56 0.00 -2.00 0.00 0.00 60.65 57.77 3m4p h LYS 92 Cb 0.10 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 3m4p h LYS 92 CO -0.02 1.10 0.82 0.54 -2.00 0.00 0.00 179.45 179.89 3m4p s ASN 93 N -6.63 6.98 0.38 7.07 4.22 -1.26 -5.03 114.94 120.67 3m4p s ASN 93 Ca -0.15 1.78 0.08 0.00 -2.14 0.00 0.00 52.86 52.42 3m4p s ASN 93 Cb 0.00 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.97 3m4p s ASN 93 CO 0.78 -0.69 0.38 -1.00 -2.04 0.00 0.00 177.10 174.53 3m4p s HIS 94 N 2.90 2.83 0.63 1.54 3.76 -1.26 -4.01 115.29 121.67 3m4p s HIS 94 Ca 0.56 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.93 3m4p s HIS 94 Cb -0.24 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 3m4p s HIS 94 CO 0.19 -0.04 1.08 -2.14 -0.85 0.00 0.00 174.74 172.98 3m4p s PRO 95 N -4.12 3.06 0.93 8.40 0.02 -1.26 -4.99 135.00 137.04 3m4p s PRO 95 Ca 0.46 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 62.68 3m4p s PRO 95 Cb -0.06 -1.99 0.16 0.00 0.02 0.00 0.00 34.50 32.63 3m4p s PRO 95 CO 0.28 -1.03 1.14 -1.25 -0.33 0.00 0.00 177.00 175.82 3m4p s PRO 96 N -4.09 0.89 -1.42 5.54 0.04 -1.26 -4.85 135.00 129.85 3m4p s PRO 96 Ca 0.65 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 3m4p s PRO 96 Cb -0.18 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.69 3m4p s PRO 96 CO 0.39 -2.72 2.10 -1.91 0.04 0.00 0.00 177.00 174.91 3m4p n GLU 97 N -4.29 2.96 -4.38 4.56 4.07 -1.26 -4.88 120.64 117.42 3m4p n GLU 97 Ca 0.12 -2.79 -0.19 0.00 -0.06 0.00 0.00 57.16 54.23 3m4p n GLU 97 Cb 0.52 -3.33 -0.14 0.00 -0.06 0.00 0.00 31.44 28.43 3m4p n GLU 97 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3m4p s ILE 98 N 3.36 0.87 0.48 6.31 1.01 -1.26 -5.14 121.20 126.83 3m4p s ILE 98 Ca 0.48 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 60.26 3m4p s ILE 98 Cb 0.11 -0.76 -0.07 0.00 0.01 0.00 0.00 42.46 41.75 3m4p s ILE 98 CO -0.05 0.11 1.13 0.00 0.00 0.00 0.00 174.94 176.13 3m4p s ALA 99 N -0.52 2.90 -1.76 9.38 0.00 -1.26 -3.04 121.76 127.47 3m4p s ALA 99 Ca 0.02 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3m4p s ALA 99 Cb -0.06 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3m4p s ALA 99 CO 0.00 -0.60 0.00 -0.25 0.00 0.00 0.00 175.76 174.91 3m4p n ASP 100 N -0.69 -5.58 -4.73 0.00 8.00 -1.26 -4.51 116.55 107.78 3m4p n ASP 100 Ca 0.08 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 3m4p n ASP 100 Cb 0.49 -4.70 -0.04 0.00 -0.02 0.00 0.00 41.12 36.85 3m4p n ASP 100 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3m4p s ILE 101 N -2.93 4.32 0.04 0.53 1.10 -1.17 -1.15 121.20 121.94 3m4p s ILE 101 Ca 0.00 1.88 -0.30 0.00 -0.51 0.00 0.00 60.65 61.71 3m4p s ILE 101 Cb 0.00 -4.20 -0.06 0.00 0.15 0.00 0.00 42.46 38.35 3m4p s ILE 101 CO 0.00 0.26 1.34 -0.22 -2.11 0.00 0.00 174.94 174.21 3m4p s LEU 102 N 0.15 4.34 0.00 8.50 2.96 -0.37 -4.87 118.68 129.38 3m4p s LEU 102 Ca 0.50 2.12 -0.02 0.00 -0.22 0.00 0.00 54.13 56.50 3m4p s LEU 102 Cb -0.25 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.77 3m4p s LEU 102 CO 0.31 -0.64 2.32 -3.20 -1.32 0.00 0.00 176.35 173.82 3m4p n ASN 103 N 4.68 4.44 -3.80 3.68 5.15 -1.26 -4.66 115.26 123.49 3m4p n ASN 103 Ca 0.12 -2.24 -0.11 0.00 -0.60 0.00 0.00 54.58 51.74 3m4p n ASN 103 Cb 0.44 -1.05 -0.08 0.00 -0.53 0.00 0.00 39.78 38.56 3m4p n ASN 103 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3m4p s LEU 104 N 0.00 1.12 -0.07 1.20 1.43 -1.26 -4.65 118.68 116.46 3m4p s LEU 104 Ca 0.25 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3m4p s LEU 104 Cb 0.12 1.16 -0.01 0.00 0.03 0.00 0.00 46.19 47.48 3m4p s LEU 104 CO 0.00 -0.59 -0.21 -0.70 0.23 0.00 0.00 176.35 175.09 3m4p s GLU 105 N -2.56 2.67 -0.06 1.70 2.12 0.17 -4.49 118.70 118.25 3m4p s GLU 105 Ca -0.05 -0.82 -0.19 0.00 0.36 0.00 0.00 54.97 54.26 3m4p s GLU 105 Cb -0.01 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 3m4p s GLU 105 CO -0.04 0.41 0.53 1.41 -0.54 0.00 0.00 175.26 177.04 3m4p s MET 106 N -0.21 4.30 -0.61 4.30 -2.45 -0.69 -0.06 119.30 123.88 3m4p s MET 106 Ca -0.01 0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 54.84 3m4p s MET 106 Cb -0.13 -3.38 0.12 0.00 1.25 0.00 0.00 34.83 32.69 3m4p s MET 106 CO 0.03 0.27 0.66 -0.65 1.05 0.00 0.00 175.02 176.39 3m4p s GLN 107 N 0.19 3.10 0.20 4.11 -1.52 -0.28 -1.41 119.66 124.05 3m4p s GLN 107 Ca 0.29 -1.57 -0.32 0.00 -1.95 0.00 0.00 55.36 51.81 3m4p s GLN 107 Cb -0.17 -4.32 -0.11 0.00 -0.22 0.00 0.00 33.01 28.19 3m4p s GLN 107 CO 0.14 -1.46 1.66 0.08 -0.25 0.00 0.00 175.29 175.46 3m4p s VAL 108 N 2.11 2.22 -0.15 1.09 1.01 -0.78 -1.76 120.40 124.14 3m4p s VAL 108 Ca 0.10 0.16 0.14 0.00 0.00 0.00 0.00 61.98 62.38 3m4p s VAL 108 Cb -0.24 -3.10 -0.19 0.00 0.00 0.00 0.00 36.38 32.84 3m4p s VAL 108 CO 0.03 0.01 0.06 0.35 0.00 0.00 0.00 175.10 175.56 3m4p n THR 109 N 3.77 1.02 -3.52 3.92 -2.24 0.58 -4.69 114.28 113.12 3m4p n THR 109 Ca 0.14 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3m4p n THR 109 Cb 0.36 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 3m4p n THR 109 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3m4p s GLU 110 N -2.40 1.13 -0.03 -0.78 -1.05 -0.99 -5.04 118.70 109.54 3m4p s GLU 110 Ca -0.08 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.14 3m4p s GLU 110 Cb 0.05 0.52 0.09 0.00 -0.44 0.00 0.00 34.13 34.34 3m4p s GLU 110 CO 0.63 -0.44 0.75 1.67 0.95 0.00 0.00 175.26 178.82 3m4p s TRP 111 N -2.94 -0.55 -0.17 4.83 1.48 -1.26 -0.68 118.94 119.65 3m4p s TRP 111 Ca -0.03 0.79 -0.18 0.00 -1.06 0.00 0.00 56.10 55.62 3m4p s TRP 111 Cb -0.00 0.46 0.05 0.00 -1.16 0.00 0.00 33.47 32.81 3m4p s TRP 111 CO -0.06 -0.59 0.51 -1.59 -4.06 0.00 0.00 176.95 171.16 3m4p s LYS 112 N -1.81 0.63 0.23 3.25 -2.85 -0.81 -5.02 119.74 113.35 3m4p s LYS 112 Ca -0.05 0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 55.24 3m4p s LYS 112 Cb -0.00 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 3m4p s LYS 112 CO 0.02 -0.09 1.28 0.08 0.10 0.00 0.00 175.35 176.74 3m4p s VAL 113 N 0.08 3.20 -0.21 1.79 1.01 -1.26 -1.97 120.40 123.04 3m4p s VAL 113 Ca -0.02 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 3m4p s VAL 113 Cb -0.03 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3m4p s VAL 113 CO 0.01 0.18 -0.33 -0.38 0.00 0.00 0.00 175.10 174.59 3m4p n ILE 114 N 2.19 1.44 -4.38 2.22 5.41 0.69 -4.92 119.36 122.01 3m4p n ILE 114 Ca 0.04 -0.12 -0.32 0.00 1.00 0.00 0.00 62.75 63.35 3m4p n ILE 114 Cb 0.43 -2.05 -0.16 0.00 -0.71 0.00 0.00 39.64 37.15 3m4p n ILE 114 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3m4p s GLY 115 N -5.18 1.31 0.83 7.39 0.00 -1.19 -4.98 107.32 105.50 3m4p s GLY 115 Ca -0.32 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 3m4p s GLY 115 CO 0.43 0.17 1.09 -0.54 0.00 0.00 0.00 173.10 174.25 3m4p s GLU 116 N 1.08 1.76 -0.35 2.90 2.02 -1.26 -1.37 118.70 123.48 3m4p s GLU 116 Ca -0.01 0.93 0.01 0.00 0.02 0.00 0.00 54.97 55.92 3m4p s GLU 116 Cb -0.14 -1.86 0.14 0.00 0.10 0.00 0.00 34.13 32.37 3m4p s GLU 116 CO -0.07 -1.92 0.26 0.45 0.02 0.00 0.00 175.26 174.01 3m4p s SER 117 N -3.48 2.34 0.46 -0.19 0.15 -1.26 -4.83 113.70 106.89 3m4p s SER 117 Ca 0.62 -1.88 -0.22 0.00 0.70 0.00 0.00 55.95 55.17 3m4p s SER 117 Cb -0.17 -0.04 -0.11 0.00 -1.71 0.00 0.00 66.02 63.99 3m4p s SER 117 CO 0.56 -0.30 0.63 -2.65 1.20 0.00 0.00 173.24 172.68 3m4p n PRO 118 N 4.22 0.69 0.21 5.44 -0.02 -1.26 -4.69 135.00 139.59 3m4p n PRO 118 Ca 0.10 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3m4p n PRO 118 Cb 0.40 -1.65 0.55 0.00 -0.02 0.00 0.00 33.50 32.78 3m4p n PRO 118 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3m4p h ILE 119 N 0.78 0.00 0.00 4.25 6.09 -2.00 -2.70 117.51 123.94 3m4p h ILE 119 Ca -0.42 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 3m4p h ILE 119 Cb 1.39 1.38 0.00 0.00 0.47 0.00 0.00 36.82 40.06 3m4p h ILE 119 CO 0.51 0.00 0.04 -0.90 -3.07 0.00 0.00 178.15 174.73 3m4p n ASP 120 N -2.74 0.00 -0.28 2.19 5.68 -1.26 -2.08 116.55 118.05 3m4p n ASP 120 Ca 0.02 0.30 0.16 0.00 -0.50 0.00 0.00 54.79 54.77 3m4p n ASP 120 Cb 0.31 -0.30 0.43 0.00 -1.14 0.00 0.00 41.12 40.43 3m4p n ASP 120 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3m4p h LEU 121 N 0.00 0.56 -1.66 -2.12 5.85 -1.83 -2.28 115.31 113.84 3m4p h LEU 121 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3m4p h LEU 121 Cb 0.08 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3m4p h LEU 121 CO 0.00 0.23 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.86 3m4p h GLU 122 N 0.56 0.00 -0.17 1.25 4.39 -1.72 -2.51 114.58 116.39 3m4p h GLU 122 Ca 0.50 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.01 3m4p h GLU 122 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3m4p h GLU 122 CO -0.24 0.14 -0.66 -0.91 -1.16 0.00 0.00 179.01 176.18 3m4p h ASN 123 N 0.00 0.76 0.83 1.42 2.35 -1.64 -3.39 115.58 115.91 3m4p h ASN 123 Ca -0.00 -0.45 -0.04 0.00 -0.55 0.00 0.00 56.30 55.26 3m4p h ASN 123 Cb 0.48 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3m4p h ASN 123 CO 0.02 1.21 -0.48 0.40 -1.65 0.00 0.00 177.43 176.93 3m4p h ILE 124 N 0.48 0.04 -3.32 2.81 2.04 -1.48 -3.41 117.51 114.66 3m4p h ILE 124 Ca -0.02 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 65.17 3m4p h ILE 124 Cb 1.25 0.04 -0.31 0.00 -0.74 0.00 0.00 36.82 37.06 3m4p h ILE 124 CO 0.13 0.00 -0.84 -0.63 0.00 0.00 0.00 178.15 176.81 3m4p s ILE 125 N -5.96 2.41 0.07 -0.67 -1.09 -1.25 -4.91 121.20 109.80 3m4p s ILE 125 Ca -0.19 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.33 3m4p s ILE 125 Cb 0.03 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3m4p s ILE 125 CO 0.60 0.55 0.10 -0.46 -1.23 0.00 0.00 174.94 174.50 3m4p n ASN 126 N 3.59 -0.30 0.12 3.58 0.23 -1.26 -4.80 115.26 116.42 3m4p n ASN 126 Ca -0.19 -1.34 -0.13 0.00 -0.53 0.00 0.00 54.58 52.39 3m4p n ASN 126 Cb 0.53 0.53 -0.06 0.00 -2.08 0.00 0.00 39.78 38.70 3m4p n ASN 126 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3m4p h LYS 127 N 0.00 -0.50 -1.06 -3.83 5.09 -1.99 -3.07 116.57 111.21 3m4p h LYS 127 Ca -0.05 0.03 -0.51 0.00 0.09 0.00 0.00 60.65 60.21 3m4p h LYS 127 Cb 0.22 0.11 -0.26 0.00 0.10 0.00 0.00 32.23 32.41 3m4p h LYS 127 CO 0.07 -0.33 0.65 -0.40 -2.09 0.00 0.00 179.45 177.35 3m4p n ASP 128 N -5.40 5.23 -4.75 7.07 3.85 -1.26 -4.91 116.55 116.37 3m4p n ASP 128 Ca -0.07 -3.48 -0.40 0.00 -0.71 0.00 0.00 54.79 50.13 3m4p n ASP 128 Cb 0.31 -0.88 -0.05 0.00 -1.35 0.00 0.00 41.12 39.15 3m4p n ASP 128 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3m4p s SER 129 N -1.12 7.32 0.96 -1.12 0.01 -1.16 -5.07 113.70 113.53 3m4p s SER 129 Ca 0.52 1.58 -0.12 0.00 1.31 0.00 0.00 55.95 59.24 3m4p s SER 129 Cb 0.43 -2.50 0.17 0.00 0.21 0.00 0.00 66.02 64.32 3m4p s SER 129 CO 0.05 0.04 1.10 -0.94 0.41 0.00 0.00 173.24 173.90 3m4p s SER 130 N -0.27 2.94 0.13 2.44 1.04 -1.26 -4.87 113.70 113.85 3m4p s SER 130 Ca 0.40 1.20 -0.15 0.00 0.48 0.00 0.00 55.95 57.88 3m4p s SER 130 Cb -0.22 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 3m4p s SER 130 CO 0.25 -2.94 1.60 0.40 0.98 0.00 0.00 173.24 173.54 3m4p h ILE 131 N -1.76 1.25 -0.22 -1.02 2.04 -1.98 -2.15 117.51 113.66 3m4p h ILE 131 Ca -0.53 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 64.45 3m4p h ILE 131 Cb 1.32 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 3m4p h ILE 131 CO 0.58 0.32 -0.17 -0.65 0.00 0.00 0.00 178.15 178.23 3m4p h PRO 132 N 0.56 -0.16 -0.92 2.37 0.11 -1.99 -0.82 132.00 131.14 3m4p h PRO 132 Ca 0.12 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.38 3m4p h PRO 132 Cb 0.42 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.48 3m4p h PRO 132 CO 0.01 -0.11 0.54 0.37 -0.21 0.00 0.00 178.00 178.61 3m4p h GLN 133 N -0.17 0.80 0.00 1.05 5.75 -1.90 0.53 115.11 121.16 3m4p h GLN 133 Ca 0.13 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.47 3m4p h GLN 133 Cb 0.36 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3m4p h GLN 133 CO -0.32 0.53 -0.53 0.87 -2.65 0.00 0.00 178.83 176.72 3m4p h LYS 134 N 0.82 0.00 0.11 1.69 1.57 -0.68 -1.23 116.57 118.85 3m4p h LYS 134 Ca 0.48 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.00 3m4p h LYS 134 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3m4p h LYS 134 CO -0.30 0.53 -1.32 0.52 -0.57 0.00 0.00 179.45 178.31 3m4p h MET 135 N 0.00 0.23 -0.47 3.15 2.86 -0.62 -2.51 114.93 117.57 3m4p h MET 135 Ca -0.01 -0.40 0.09 0.00 -2.06 0.00 0.00 59.70 57.33 3m4p h MET 135 Cb 1.06 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.79 3m4p h MET 135 CO 0.07 1.19 -0.01 0.37 1.06 0.00 0.00 176.91 179.59 3m4p h GLN 136 N -0.35 0.10 -1.57 1.72 5.75 -0.94 -2.49 115.11 117.32 3m4p h GLN 136 Ca -0.28 -0.01 -0.71 0.00 -0.15 0.00 0.00 58.65 57.50 3m4p h GLN 136 Cb 1.71 -0.02 -0.30 0.00 1.07 0.00 0.00 27.48 29.94 3m4p h GLN 136 CO 0.06 0.06 0.70 0.09 -2.65 0.00 0.00 178.83 177.08 3m4p n ASN 137 N -5.24 7.12 0.26 -0.69 3.02 -0.47 -4.38 115.26 114.89 3m4p n ASN 137 Ca 0.05 -3.81 0.16 0.00 -0.03 0.00 0.00 54.58 50.95 3m4p n ASN 137 Cb 0.26 -0.93 0.58 0.00 -0.61 0.00 0.00 39.78 39.08 3m4p n ASN 137 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3m4p h ARG 138 N 2.60 0.00 -0.02 3.52 2.43 -0.97 -2.47 114.38 119.47 3m4p h ARG 138 Ca 0.54 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.72 3m4p h ARG 138 Cb 0.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3m4p h ARG 138 CO 1.38 0.00 0.02 1.12 -1.51 0.00 0.00 179.97 180.98 3m4p h HIS 139 N 0.00 0.00 0.06 2.20 2.07 -1.85 -0.31 115.15 117.32 3m4p h HIS 139 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 3m4p h HIS 139 Cb 0.61 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.57 3m4p h HIS 139 CO 0.00 0.00 -1.34 0.82 -3.07 0.00 0.00 177.93 174.34 3m4p h ILE 140 N 0.00 1.34 -0.53 6.12 1.08 -1.82 -3.36 117.51 120.35 3m4p h ILE 140 Ca 0.01 -3.03 -0.10 0.00 -0.39 0.00 0.00 64.86 61.35 3m4p h ILE 140 Cb 0.06 2.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 3m4p h ILE 140 CO -0.00 0.83 -0.07 0.58 -0.69 0.00 0.00 178.15 178.80 3m4p h VAL 141 N 0.04 1.26 -0.05 1.67 2.07 -1.28 -2.95 116.25 117.01 3m4p h VAL 141 Ca -0.16 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.18 3m4p h VAL 141 Cb 1.93 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3m4p h VAL 141 CO 0.15 0.42 0.13 0.16 0.02 0.00 0.00 177.57 178.44 3m4p h ILE 142 N 0.86 0.20 0.00 4.57 3.07 -1.24 -0.01 117.51 124.96 3m4p h ILE 142 Ca 0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.55 3m4p h ILE 142 Cb 0.61 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3m4p h ILE 142 CO 0.04 0.00 0.00 0.03 -1.05 0.00 0.00 178.15 177.17 3m4p h ARG 143 N 0.00 0.00 -7.06 0.16 3.08 -1.69 -3.12 114.38 105.74 3m4p h ARG 143 Ca 0.02 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 3m4p h ARG 143 Cb 0.28 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.42 3m4p h ARG 143 CO -0.00 0.00 0.48 -1.54 -1.07 0.00 0.00 179.97 177.84 3m4p s SER 144 N -5.59 5.57 0.13 7.04 1.04 -0.02 -4.89 113.70 116.98 3m4p s SER 144 Ca 0.04 2.37 -0.29 0.00 0.48 0.00 0.00 55.95 58.55 3m4p s SER 144 Cb 0.08 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 3m4p s SER 144 CO 0.57 -1.33 1.59 -0.08 0.98 0.00 0.00 173.24 174.96 3m4p h GLU 145 N 1.32 -0.51 -0.22 4.02 4.81 -1.87 -2.44 114.58 119.70 3m4p h GLU 145 Ca -0.50 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 3m4p h GLU 145 Cb 1.28 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 3m4p h GLU 145 CO 0.57 -0.34 -0.16 1.25 -0.73 0.00 0.00 179.01 179.60 3m4p h HIS 146 N -0.52 -0.40 -0.34 0.92 2.76 -1.92 -1.16 115.15 114.48 3m4p h HIS 146 Ca 0.06 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 3m4p h HIS 146 Cb 0.63 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 3m4p h HIS 146 CO -0.44 -0.23 -0.11 1.15 -1.30 0.00 0.00 177.93 177.00 3m4p h THR 147 N -0.16 1.28 -0.65 6.26 2.02 -1.80 -0.68 112.91 119.19 3m4p h THR 147 Ca 0.13 -1.19 0.14 0.00 0.77 0.00 0.00 66.41 66.25 3m4p h THR 147 Cb 0.35 1.34 -0.11 0.00 -1.74 0.00 0.00 68.15 67.98 3m4p h THR 147 CO -0.31 0.39 -0.02 -0.61 0.37 0.00 0.00 175.52 175.33 3m4p h GLN 148 N 0.46 0.09 -0.11 6.66 4.15 -1.19 -0.66 115.11 124.51 3m4p h GLN 148 Ca 0.08 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 3m4p h GLN 148 Cb 0.62 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3m4p h GLN 148 CO 0.04 0.06 -0.53 1.96 -1.93 0.00 0.00 178.83 178.44 3m4p h GLN 149 N 0.10 0.32 -0.34 1.69 1.08 -0.58 -0.64 115.11 116.73 3m4p h GLN 149 Ca 0.34 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 3m4p h GLN 149 Cb 0.55 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 3m4p h GLN 149 CO -0.57 0.77 -0.04 0.28 -0.95 0.00 0.00 178.83 178.32 3m4p h VAL 150 N 0.25 1.27 -0.54 -0.54 2.07 -0.56 -1.44 116.25 116.76 3m4p h VAL 150 Ca 0.01 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 3m4p h VAL 150 Cb 1.01 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3m4p h VAL 150 CO 0.09 0.34 -0.05 -0.07 0.02 0.00 0.00 177.57 177.90 3m4p h LEU 151 N 0.43 0.96 -0.41 2.57 3.38 -0.82 0.20 115.31 121.62 3m4p h LEU 151 Ca 0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3m4p h LEU 151 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3m4p h LEU 151 CO 0.02 1.04 -0.10 1.56 0.09 0.00 0.00 178.44 181.06 3m4p h GLN 152 N 0.88 0.78 -0.49 1.13 4.20 -1.08 -1.50 115.11 119.03 3m4p h GLN 152 Ca 0.15 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 3m4p h GLN 152 Cb 0.59 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3m4p h GLN 152 CO 0.04 0.91 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.95 3m4p h LEU 153 N 0.60 0.89 -0.34 1.46 3.38 -1.09 -1.79 115.31 118.41 3m4p h LEU 153 Ca 0.10 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3m4p h LEU 153 Cb 0.62 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3m4p h LEU 153 CO 0.04 1.00 -0.10 -0.09 0.09 0.00 0.00 178.44 179.38 3m4p h ARG 154 N 0.81 -0.02 -0.96 1.13 2.43 -0.44 0.25 114.38 117.59 3m4p h ARG 154 Ca 0.14 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 3m4p h ARG 154 Cb 0.61 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 3m4p h ARG 154 CO 0.04 -0.01 0.60 1.03 -1.51 0.00 0.00 179.97 180.12 3m4p h SER 155 N -0.02 0.90 -0.19 -3.80 0.87 -0.64 -0.31 113.55 110.37 3m4p h SER 155 Ca 0.17 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 3m4p h SER 155 Cb 0.27 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3m4p h SER 155 CO -0.36 0.52 -0.51 -0.33 -0.53 0.00 0.00 176.83 175.62 3m4p h GLU 156 N 1.00 0.76 -0.90 2.24 4.39 -0.49 -1.40 114.58 120.19 3m4p h GLU 156 Ca 0.45 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3m4p h GLU 156 Cb 0.35 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 3m4p h GLU 156 CO -0.23 1.09 0.52 0.82 -1.16 0.00 0.00 179.01 180.05 3m4p h ILE 157 N 0.60 1.25 -0.53 3.13 2.04 0.57 -1.58 117.51 122.98 3m4p h ILE 157 Ca 0.02 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 3m4p h ILE 157 Cb 1.09 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3m4p h ILE 157 CO 0.11 0.27 -0.12 1.56 0.00 0.00 0.00 178.15 179.97 3m4p h GLN 158 N 1.24 1.01 -0.42 2.37 4.20 -0.95 -2.43 115.11 120.13 3m4p h GLN 158 Ca 0.32 -0.38 0.05 0.00 0.06 0.00 0.00 58.65 58.71 3m4p h GLN 158 Cb -0.02 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 3m4p h GLN 158 CO -0.06 1.06 0.14 2.35 -0.67 0.00 0.00 178.83 181.65 3m4p h TRP 159 N 0.89 0.24 0.00 2.96 2.91 -0.65 -1.81 115.95 120.50 3m4p h TRP 159 Ca 0.14 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 3m4p h TRP 159 Cb 0.69 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 3m4p h TRP 159 CO 0.05 0.08 0.00 1.88 -1.03 0.00 0.00 178.44 179.42 3m4p h TYR 160 N 0.29 0.00 -0.03 2.65 0.05 -1.13 0.36 116.97 119.17 3m4p h TYR 160 Ca 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 3m4p h TYR 160 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3m4p h TYR 160 CO -0.16 0.00 -0.06 0.74 -1.05 0.00 0.00 178.16 177.63 3m4p h PHE 161 N 0.00 0.11 -0.94 4.88 0.04 -0.96 -2.93 116.94 117.15 3m4p h PHE 161 Ca 0.00 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.75 3m4p h PHE 161 Cb 0.65 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.73 3m4p h PHE 161 CO 0.00 0.66 0.62 0.00 -0.60 0.00 0.00 178.31 178.99 3m4p h ARG 162 N -0.46 1.21 -0.63 1.51 3.08 -0.95 -2.55 114.38 115.59 3m4p h ARG 162 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3m4p h ARG 162 Cb 0.65 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3m4p h ARG 162 CO 0.01 0.80 0.35 -0.22 -1.07 0.00 0.00 179.97 179.84 3m4p h LYS 163 N 1.25 0.88 0.41 0.04 3.64 -1.01 -0.98 116.57 120.79 3m4p h LYS 163 Ca 0.35 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3m4p h LYS 163 Cb -0.10 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 3m4p h LYS 163 CO -0.09 0.66 -0.40 -0.92 -2.27 0.00 0.00 179.45 176.43 3m4p h TYR 164 N 0.86 -1.09 -0.17 1.91 3.20 -1.27 0.43 116.97 120.85 3m4p h TYR 164 Ca 0.22 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3m4p h TYR 164 Cb 0.04 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3m4p h TYR 164 CO -0.01 -0.56 0.12 1.88 -1.64 0.00 0.00 178.16 177.96 3m4p h TYR 165 N -0.82 0.00 0.06 -3.82 0.05 -1.29 0.17 116.97 111.32 3m4p h TYR 165 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 3m4p h TYR 165 Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.47 3m4p h TYR 165 CO -0.21 0.00 -0.03 1.25 -1.05 0.00 0.00 178.16 178.12 3m4p h HIS 166 N 0.00 -0.07 -0.51 4.88 2.76 -0.62 0.83 115.15 122.41 3m4p h HIS 166 Ca 0.08 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 3m4p h HIS 166 Cb 0.33 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 3m4p h HIS 166 CO 0.00 0.50 0.35 -0.44 -1.30 0.00 0.00 177.93 177.04 3m4p h ASP 167 N -0.74 0.31 -0.57 3.26 5.19 0.91 -0.68 116.42 124.10 3m4p h ASP 167 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3m4p h ASP 167 Cb 0.61 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3m4p h ASP 167 CO 0.01 0.20 0.00 0.59 -3.12 0.00 0.00 179.24 176.92 3m4p n ASN 168 N -4.47 4.98 -3.62 6.45 3.02 0.49 -4.96 115.26 117.15 3m4p n ASN 168 Ca 0.08 -2.66 -0.23 0.00 -0.03 0.00 0.00 54.58 51.74 3m4p n ASN 168 Cb 0.33 -0.62 0.07 0.00 -0.61 0.00 0.00 39.78 38.94 3m4p n ASN 168 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3m4p n HIS 169 N 0.80 -2.48 -3.22 3.10 8.25 -0.26 -5.00 115.22 116.41 3m4p n HIS 169 Ca 0.25 0.96 -0.38 0.00 -0.26 0.00 0.00 57.72 58.28 3m4p n HIS 169 Cb 1.00 -4.80 -0.06 0.00 1.12 0.00 0.00 29.99 27.25 3m4p n HIS 169 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3m4p s PHE 170 N -3.37 3.79 -0.14 4.41 0.08 0.26 -4.79 117.98 118.22 3m4p s PHE 170 Ca 0.37 1.32 -0.22 0.00 0.12 0.00 0.00 56.93 58.52 3m4p s PHE 170 Cb -0.17 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 3m4p s PHE 170 CO 0.76 0.54 0.65 0.99 -0.10 0.00 0.00 175.22 178.06 3m4p s THR 171 N -1.18 5.04 0.13 0.64 2.01 -0.69 -4.67 115.64 116.91 3m4p s THR 171 Ca 0.32 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 3m4p s THR 171 Cb -0.19 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 3m4p s THR 171 CO 0.20 0.18 0.98 -0.70 -0.69 0.00 0.00 174.62 174.59 3m4p s GLU 172 N 1.40 4.70 0.24 4.92 2.12 -1.26 -1.41 118.70 129.41 3m4p s GLU 172 Ca 0.32 1.49 0.11 0.00 0.36 0.00 0.00 54.97 57.25 3m4p s GLU 172 Cb -0.16 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 3m4p s GLU 172 CO 0.13 0.22 -0.19 0.96 -0.54 0.00 0.00 175.26 175.83 3m4p s ILE 173 N -0.11 2.57 -0.61 -3.70 -4.36 -0.47 -4.94 121.20 109.58 3m4p s ILE 173 Ca 0.47 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.67 3m4p s ILE 173 Cb -0.24 -2.30 0.16 0.00 1.25 0.00 0.00 42.46 41.32 3m4p s ILE 173 CO 0.31 -0.27 0.41 -1.58 0.24 0.00 0.00 174.94 174.05 3m4p s GLN 174 N -3.16 2.47 0.72 0.37 2.00 -1.26 -4.54 119.66 116.26 3m4p s GLN 174 Ca 0.26 -2.57 -0.11 0.00 -2.00 0.00 0.00 55.36 50.94 3m4p s GLN 174 Cb -0.06 -3.66 0.02 0.00 0.80 0.00 0.00 33.01 30.11 3m4p s GLN 174 CO 0.13 -1.16 1.10 -1.25 -0.50 0.00 0.00 175.29 173.61 3m4p s PRO 175 N -0.14 2.75 0.31 1.67 0.04 -1.26 -5.02 135.00 133.35 3m4p s PRO 175 Ca 0.17 0.48 -0.27 0.00 0.04 0.00 0.00 61.00 61.42 3m4p s PRO 175 Cb -0.21 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3m4p s PRO 175 CO -0.03 -1.12 1.00 -1.25 0.04 0.00 0.00 177.00 175.65 3m4p s PRO 176 N -5.33 4.56 0.10 0.56 0.04 -1.26 -4.97 135.00 128.69 3m4p s PRO 176 Ca 0.59 1.50 0.22 0.00 0.04 0.00 0.00 61.00 63.35 3m4p s PRO 176 Cb -0.11 -2.92 -0.15 0.00 0.04 0.00 0.00 34.50 31.35 3m4p s PRO 176 CO 0.52 0.22 0.79 0.25 0.04 0.00 0.00 177.00 178.82 3m4p n THR 177 N 0.74 0.36 -3.66 1.26 -2.24 -1.26 -4.87 114.28 104.61 3m4p n THR 177 Ca 0.01 -0.53 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 3m4p n THR 177 Cb 0.48 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 3m4p n THR 177 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3m4p s ILE 178 N -3.42 5.37 0.29 2.28 1.01 -1.26 -0.64 121.20 124.83 3m4p s ILE 178 Ca -0.04 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 3m4p s ILE 178 Cb 0.11 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 3m4p s ILE 178 CO 0.84 0.39 0.34 0.68 0.00 0.00 0.00 174.94 177.19 3m4p s VAL 179 N 0.70 0.00 -0.20 2.92 -7.23 0.68 -4.96 120.40 112.30 3m4p s VAL 179 Ca 0.09 -1.78 0.17 0.00 -1.81 0.00 0.00 61.98 58.65 3m4p s VAL 179 Cb -0.12 -2.51 0.46 0.00 0.56 0.00 0.00 36.38 34.76 3m4p s VAL 179 CO 0.02 0.00 1.17 2.29 -0.31 0.00 0.00 175.10 178.27 3m4p n LYS 180 N -0.49 1.79 0.00 4.82 2.85 -1.26 0.28 118.16 126.15 3m4p n LYS 180 Ca 0.03 -3.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.00 3m4p n LYS 180 Cb 0.63 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 3m4p n LYS 180 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3m4p n THR 181 N -0.48 0.00 -2.20 0.58 -1.04 -1.26 -5.02 114.28 104.86 3m4p n THR 181 Ca 0.19 0.14 -0.26 0.00 -2.04 0.00 0.00 64.05 62.08 3m4p n THR 181 Cb 0.90 -0.34 0.09 0.00 -1.82 0.00 0.00 70.33 69.16 3m4p n THR 181 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3m4p s THR 188 N -0.08 2.20 0.25 12.58 -4.23 -1.26 -4.97 115.64 120.14 3m4p s THR 188 Ca 0.00 -0.26 0.10 0.00 -1.18 0.00 0.00 61.69 60.34 3m4p s THR 188 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 3m4p s THR 188 CO 0.00 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.27 3m4p s LEU 189 N -5.34 3.08 -0.07 4.79 1.43 -1.26 -3.38 118.68 117.93 3m4p s LEU 189 Ca 0.63 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 3m4p s LEU 189 Cb -0.09 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3m4p s LEU 189 CO 0.46 0.03 1.21 -0.36 0.23 0.00 0.00 176.35 177.91 3m4p s PHE 190 N -2.20 3.14 -0.28 0.29 0.08 -1.26 -4.92 117.98 112.83 3m4p s PHE 190 Ca 0.30 1.19 -0.18 0.00 0.12 0.00 0.00 56.93 58.36 3m4p s PHE 190 Cb -0.07 -3.43 -0.02 0.00 -0.57 0.00 0.00 43.02 38.93 3m4p s PHE 190 CO 0.18 -1.35 0.53 -1.59 -0.10 0.00 0.00 175.22 172.89 3m4p s LYS 191 N 2.41 4.00 0.30 0.44 -2.85 -1.26 -1.88 119.74 120.90 3m4p s LYS 191 Ca 0.55 0.26 0.09 0.00 -1.00 0.00 0.00 55.97 55.88 3m4p s LYS 191 Cb -0.24 -3.68 -0.04 0.00 -2.06 0.00 0.00 37.83 31.81 3m4p s LYS 191 CO 0.21 -0.41 0.04 -0.48 0.10 0.00 0.00 175.35 174.81 3m4p s LEU 192 N 2.36 3.18 -0.65 2.77 2.34 0.19 -4.99 118.68 123.89 3m4p s LEU 192 Ca 0.21 -0.74 -0.15 0.00 0.06 0.00 0.00 54.13 53.52 3m4p s LEU 192 Cb -0.16 -1.67 0.16 0.00 -0.56 0.00 0.00 46.19 43.97 3m4p s LEU 192 CO 0.10 -0.13 0.59 -1.58 -1.06 0.00 0.00 176.35 174.27 3m4p s GLN 193 N -3.73 3.19 -1.00 1.48 2.00 -1.26 -0.97 119.66 119.37 3m4p s GLN 193 Ca 0.34 -2.00 -0.22 0.00 -2.00 0.00 0.00 55.36 51.48 3m4p s GLN 193 Cb -0.04 -4.33 0.07 0.00 0.80 0.00 0.00 33.01 29.51 3m4p s GLN 193 CO 0.21 -1.31 1.37 -0.47 -0.50 0.00 0.00 175.29 174.59 3m4p s TYR 194 N 1.04 2.68 0.00 1.67 5.04 -0.94 -4.79 117.35 122.05 3m4p s TYR 194 Ca 0.09 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 3m4p s TYR 194 Cb -0.22 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.49 3m4p s TYR 194 CO -0.02 -1.83 0.00 1.19 -1.34 0.00 0.00 175.55 173.56 3m4p n PHE 195 N 8.29 0.00 -0.05 4.97 3.72 -1.26 -2.95 117.46 130.18 3m4p n PHE 195 Ca 0.31 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.61 3m4p n PHE 195 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 3m4p n PHE 195 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3m4p n ASN 196 N 4.81 1.15 -4.74 4.37 3.02 -1.26 -4.98 115.26 117.63 3m4p n ASN 196 Ca 0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 3m4p n ASN 196 Cb 0.00 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3m4p n ASN 196 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3m4p s GLU 197 N -2.19 4.49 0.71 3.52 -1.05 -1.15 -5.04 118.70 117.99 3m4p s GLU 197 Ca -0.14 1.88 -0.15 0.00 -0.15 0.00 0.00 54.97 56.41 3m4p s GLU 197 Cb 0.05 -3.23 0.03 0.00 -0.44 0.00 0.00 34.13 30.54 3m4p s GLU 197 CO 0.18 -0.08 1.20 -2.14 0.95 0.00 0.00 175.26 175.37 3m4p s PRO 198 N -0.31 2.28 0.22 -4.83 0.02 -1.26 -2.21 135.00 128.90 3m4p s PRO 198 Ca 0.53 1.74 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 3m4p s PRO 198 Cb -0.33 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.36 3m4p s PRO 198 CO 0.37 -1.72 0.52 0.00 -0.33 0.00 0.00 177.00 175.84 3m4p s ALA 199 N -1.97 -0.73 0.09 -1.55 0.00 -0.14 -4.76 121.76 112.70 3m4p s ALA 199 Ca 0.74 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3m4p s ALA 199 Cb -0.29 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3m4p s ALA 199 CO 0.44 -0.84 -0.15 0.71 0.00 0.00 0.00 175.76 175.92 3m4p s TYR 200 N -3.92 1.34 0.16 0.00 2.02 0.14 0.56 117.35 117.66 3m4p s TYR 200 Ca 0.13 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 3m4p s TYR 200 Cb -0.01 -0.74 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 3m4p s TYR 200 CO 0.02 0.10 0.93 -0.51 -1.57 0.00 0.00 175.55 174.52 3m4p s LEU 201 N -1.95 4.56 0.82 -1.29 1.43 -0.79 -0.23 118.68 121.24 3m4p s LEU 201 Ca 0.02 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 3m4p s LEU 201 Cb -0.09 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.66 3m4p s LEU 201 CO 0.03 0.05 1.17 0.28 0.23 0.00 0.00 176.35 178.11 3m4p s THR 202 N -0.55 2.27 -0.08 5.49 -1.32 0.19 -4.45 115.64 117.18 3m4p s THR 202 Ca 0.43 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 61.06 3m4p s THR 202 Cb -0.24 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.27 3m4p s THR 202 CO 0.30 -0.10 0.11 0.00 -2.21 0.00 0.00 174.62 172.73 3m4p n GLN 203 N -3.47 2.90 -3.60 7.08 10.64 -1.26 -1.22 117.38 128.45 3m4p n GLN 203 Ca 0.12 -0.02 -0.11 0.00 -1.83 0.00 0.00 57.00 55.17 3m4p n GLN 203 Cb 0.51 -0.88 -0.06 0.00 -0.86 0.00 0.00 30.24 28.95 3m4p n GLN 203 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3m4p s SER 204 N -1.89 -0.46 -0.14 2.61 0.15 -1.26 -4.54 113.70 108.17 3m4p s SER 204 Ca -0.00 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.52 3m4p s SER 204 Cb 0.02 0.64 0.72 0.00 -1.71 0.00 0.00 66.02 65.70 3m4p s SER 204 CO 0.15 -0.28 1.64 -1.20 1.20 0.00 0.00 173.24 174.74 3m4p n SER 205 N 1.49 4.89 -0.18 5.45 7.64 -1.26 -4.63 113.62 127.02 3m4p n SER 205 Ca -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 58.87 57.12 3m4p n SER 205 Cb 0.57 -0.59 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 3m4p n SER 205 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3m4p h GLN 206 N 3.83 0.59 -0.66 1.43 4.15 -1.97 -1.24 115.11 121.23 3m4p h GLN 206 Ca 0.00 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 3m4p h GLN 206 Cb 1.56 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 3m4p h GLN 206 CO 0.29 0.39 0.11 -0.07 -1.93 0.00 0.00 178.83 177.61 3m4p h LEU 207 N 0.60 1.05 -0.67 -2.39 4.07 -2.00 -0.25 115.31 115.72 3m4p h LEU 207 Ca 0.23 -0.25 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 3m4p h LEU 207 Cb 0.08 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3m4p h LEU 207 CO -0.13 1.04 -0.05 1.88 -1.08 0.00 0.00 178.44 180.10 3m4p h TYR 208 N 1.02 1.08 -0.15 1.13 0.05 -1.82 -2.32 116.97 115.96 3m4p h TYR 208 Ca 0.20 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.81 3m4p h TYR 208 Cb 0.44 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3m4p h TYR 208 CO 0.03 0.98 0.02 -0.07 -1.05 0.00 0.00 178.16 178.08 3m4p h LEU 209 N 0.89 -0.01 -1.72 3.88 3.38 -0.46 -2.36 115.31 118.92 3m4p h LEU 209 Ca 0.15 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3m4p h LEU 209 Cb 0.59 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3m4p h LEU 209 CO 0.04 0.02 0.35 -0.33 0.09 0.00 0.00 178.44 178.61 3m4p h GLU 210 N 0.08 0.32 0.00 1.13 5.08 -0.92 -0.68 114.58 119.59 3m4p h GLU 210 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3m4p h GLU 210 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3m4p h GLU 210 CO -0.10 0.21 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 3m4p h SER 211 N 0.32 0.00 0.00 1.42 4.64 -0.87 -3.32 113.55 115.75 3m4p h SER 211 Ca 0.24 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3m4p h SER 211 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3m4p h SER 211 CO -0.06 0.00 -1.61 0.55 -0.87 0.00 0.00 176.83 174.85 3m4p n VAL 212 N -2.33 0.28 -0.13 0.95 3.14 -0.29 -4.57 118.33 115.37 3m4p n VAL 212 Ca 0.03 -0.34 0.04 0.00 -2.96 0.00 0.00 64.34 61.11 3m4p n VAL 212 Cb 0.28 -0.12 0.35 0.00 -1.06 0.00 0.00 33.84 33.29 3m4p n VAL 212 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 3m4p h ILE 213 N 0.00 1.09 -0.11 1.55 3.07 -1.58 -0.39 117.51 121.14 3m4p h ILE 213 Ca -0.11 -0.26 0.03 0.00 1.55 0.00 0.00 64.86 66.07 3m4p h ILE 213 Cb 0.96 0.27 -0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3m4p h ILE 213 CO 0.01 0.14 0.30 0.00 -1.05 0.00 0.00 178.15 177.55 3m4p h ALA 214 N 1.63 1.53 0.00 0.16 0.00 -1.80 0.58 119.26 121.35 3m4p h ALA 214 Ca 0.25 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3m4p h ALA 214 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3m4p h ALA 214 CO -0.07 -0.36 -1.57 0.45 0.00 0.00 0.00 179.25 177.70 3m4p n SER 215 N -3.21 1.04 0.03 0.00 2.88 -0.27 -4.73 113.62 109.37 3m4p n SER 215 Ca 0.00 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.84 3m4p n SER 215 Cb 0.39 -0.42 0.11 0.00 -0.75 0.00 0.00 64.21 63.54 3m4p n SER 215 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3m4p n LEU 216 N -3.67 0.63 0.00 2.46 4.77 -0.52 -5.07 117.00 115.61 3m4p n LEU 216 Ca -0.24 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3m4p n LEU 216 Cb 0.62 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3m4p n LEU 216 CO 0.03 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3m4p n GLY 217 N 1.38 -0.69 3.50 -0.72 0.00 0.19 -4.73 105.19 104.12 3m4p n GLY 217 Ca 0.03 -1.14 -0.61 0.00 0.00 0.00 0.00 46.02 44.30 3m4p n GLY 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4p n LYS 218 N 0.00 0.00 -4.08 1.61 5.02 -1.26 -4.36 118.16 115.09 3m4p n LYS 218 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3m4p n LYS 218 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 3m4p n LYS 218 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3m4p s SER 219 N 1.12 0.55 0.07 4.39 0.01 -0.78 -1.71 113.70 117.35 3m4p s SER 219 Ca 0.94 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 57.21 3m4p s SER 219 Cb -1.32 0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.07 3m4p s SER 219 CO 0.65 -0.51 0.21 0.72 0.41 0.00 0.00 173.24 174.72 3m4p s PHE 220 N -3.31 0.09 0.04 2.43 -0.12 -0.50 -1.25 117.98 115.36 3m4p s PHE 220 Ca 0.03 -0.43 -0.06 0.00 -0.05 0.00 0.00 56.93 56.41 3m4p s PHE 220 Cb 0.03 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 3m4p s PHE 220 CO -0.07 -0.51 0.12 0.00 -0.05 0.00 0.00 175.22 174.71 3m4p s MET 222 N -2.70 0.50 0.29 0.00 0.00 -1.26 -0.82 119.30 115.31 3m4p s MET 222 Ca -0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 55.69 54.65 3m4p s MET 222 Cb -0.01 -1.01 0.03 0.00 0.00 0.00 0.00 34.83 33.84 3m4p s MET 222 CO -0.05 -1.16 0.51 1.47 0.00 0.00 0.00 175.02 175.79 3m4p n LEU 223 N 4.42 0.00 -4.77 4.11 -0.00 -0.76 -4.90 117.00 115.10 3m4p n LEU 223 Ca 0.08 -2.06 -0.41 0.00 -0.00 0.00 0.00 56.01 53.62 3m4p n LEU 223 Cb 0.41 2.53 -0.01 0.00 -0.00 0.00 0.00 43.42 46.35 3m4p n LEU 223 CO 0.09 -0.59 1.13 -0.44 -0.00 0.00 0.00 177.39 177.58 3m4p s SER 224 N -2.61 6.42 0.24 1.45 0.01 -1.26 -0.25 113.70 117.69 3m4p s SER 224 Ca 0.16 2.97 0.10 0.00 1.31 0.00 0.00 55.95 60.49 3m4p s SER 224 Cb -0.03 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 3m4p s SER 224 CO 0.12 -0.83 -0.17 -0.44 0.41 0.00 0.00 173.24 172.33 3m4p s SER 225 N -0.08 3.05 0.02 2.44 0.01 -0.56 -4.80 113.70 113.78 3m4p s SER 225 Ca 0.54 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3m4p s SER 225 Cb -0.46 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 3m4p s SER 225 CO 0.59 -0.08 -0.15 -0.31 0.41 0.00 0.00 173.24 173.70 3m4p s TYR 226 N -2.76 1.33 -0.15 2.43 2.02 -0.36 -2.07 117.35 117.79 3m4p s TYR 226 Ca 0.26 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3m4p s TYR 226 Cb -0.03 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3m4p s TYR 226 CO 0.11 0.02 -0.04 1.03 -1.57 0.00 0.00 175.55 175.10 3m4p s ARG 227 N -0.86 1.27 -0.08 -0.62 3.00 -0.33 -4.24 118.95 117.09 3m4p s ARG 227 Ca 0.04 -0.40 0.20 0.00 0.00 0.00 0.00 55.73 55.57 3m4p s ARG 227 Cb -0.07 -1.84 0.71 0.00 0.00 0.00 0.00 34.95 33.76 3m4p s ARG 227 CO 0.01 -0.41 1.62 0.00 0.00 0.00 0.00 175.30 176.51 3m4p n ALA 228 N 4.93 2.91 -1.99 2.13 0.00 -1.22 -4.35 120.51 122.93 3m4p n ALA 228 Ca -0.11 -1.51 -0.42 0.00 0.00 0.00 0.00 53.44 51.39 3m4p n ALA 228 Cb 0.48 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3m4p n ALA 228 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3m4p s GLU 229 N -1.62 4.21 0.16 0.00 -1.05 -1.26 -4.79 118.70 114.35 3m4p s GLU 229 Ca 0.51 2.25 -0.28 0.00 -0.15 0.00 0.00 54.97 57.31 3m4p s GLU 229 Cb 0.31 -3.62 -0.08 0.00 -0.44 0.00 0.00 34.13 30.30 3m4p s GLU 229 CO 0.28 -0.71 0.86 -1.14 0.95 0.00 0.00 175.26 175.50 3m4p s GLN 230 N 2.70 4.68 -0.17 -4.83 0.74 -1.26 -5.01 119.66 116.50 3m4p s GLN 230 Ca 0.72 1.31 -0.02 0.00 0.05 0.00 0.00 55.36 57.42 3m4p s GLN 230 Cb -0.38 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.42 3m4p s GLN 230 CO 0.31 0.45 -0.09 -1.54 -0.55 0.00 0.00 175.29 173.87 3m4p s SER 231 N -0.80 4.13 -0.18 6.67 1.04 -1.26 -4.94 113.70 118.37 3m4p s SER 231 Ca 0.40 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 56.27 3m4p s SER 231 Cb -0.24 -1.67 -0.16 0.00 0.10 0.00 0.00 66.02 64.05 3m4p s SER 231 CO 0.28 0.07 0.23 0.08 0.98 0.00 0.00 173.24 174.89 3m4p h ARG 232 N 7.39 0.00 -6.10 4.02 0.11 -2.03 -3.47 114.38 114.30 3m4p h ARG 232 Ca -0.34 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.16 3m4p h ARG 232 Cb 1.18 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.21 3m4p h ARG 232 CO 0.59 0.75 -0.05 -0.08 0.10 0.00 0.00 179.97 181.28 3m4p s THR 233 N -2.26 4.88 0.00 0.08 -1.32 -1.26 -5.07 115.64 110.69 3m4p s THR 233 Ca -0.22 1.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.43 3m4p s THR 233 Cb 0.03 -3.89 0.00 0.00 -1.51 0.00 0.00 72.50 67.13 3m4p s THR 233 CO 0.50 0.47 0.00 1.33 -2.21 0.00 0.00 174.62 174.71 3m4p n VAL 234 N 2.37 0.00 -1.01 5.08 0.24 -1.26 -4.78 118.33 118.96 3m4p n VAL 234 Ca -0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.21 3m4p n VAL 234 Cb 0.51 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3m4p n VAL 234 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3m4p n ARG 235 N 0.00 -1.89 -3.60 7.34 5.12 -1.26 -4.96 116.66 117.41 3m4p n ARG 235 Ca 0.00 0.49 -0.40 0.00 -1.93 0.00 0.00 57.85 56.01 3m4p n ARG 235 Cb 0.00 -4.92 -0.10 0.00 -1.16 0.00 0.00 32.46 26.28 3m4p n ARG 235 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3m4p s HIS 236 N -1.09 3.32 0.78 -1.55 3.76 -1.26 -5.00 115.29 114.25 3m4p s HIS 236 Ca 0.00 -1.45 -0.11 0.00 -0.15 0.00 0.00 55.06 53.35 3m4p s HIS 236 Cb 0.00 -2.90 0.06 0.00 1.11 0.00 0.00 32.58 30.85 3m4p s HIS 236 CO 0.00 -0.82 1.09 -0.51 -0.85 0.00 0.00 174.74 173.64 3m4p s LEU 237 N 1.45 2.87 0.06 0.89 1.43 -1.26 -4.92 118.68 119.20 3m4p s LEU 237 Ca 0.03 1.68 -0.07 0.00 -1.03 0.00 0.00 54.13 54.74 3m4p s LEU 237 Cb -0.23 -4.35 -0.30 0.00 0.03 0.00 0.00 46.19 41.34 3m4p s LEU 237 CO 0.03 -2.03 1.08 0.00 0.23 0.00 0.00 176.35 175.67 3m4p h ALA 238 N -1.12 0.04 -3.56 4.21 0.00 -0.85 -3.39 119.26 114.59 3m4p h ALA 238 Ca -0.45 -0.90 -0.58 0.00 0.00 0.00 0.00 54.91 52.99 3m4p h ALA 238 Cb 1.24 0.07 -0.33 0.00 0.00 0.00 0.00 17.79 18.77 3m4p h ALA 238 CO 0.54 0.92 -0.84 -2.00 0.00 0.00 0.00 179.25 177.86 3m4p s GLU 239 N -2.64 2.10 -0.00 0.00 2.12 -1.24 -1.18 118.70 117.86 3m4p s GLU 239 Ca -0.06 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 54.55 3m4p s GLU 239 Cb 0.06 -1.70 0.01 0.00 0.26 0.00 0.00 34.13 32.76 3m4p s GLU 239 CO 0.90 0.14 0.23 1.52 -0.54 0.00 0.00 175.26 177.51 3m4p s TYR 240 N 0.37 -0.07 -0.33 5.30 -0.85 -0.88 -4.54 117.35 116.35 3m4p s TYR 240 Ca -0.12 0.05 -0.29 0.00 -0.52 0.00 0.00 57.07 56.19 3m4p s TYR 240 Cb -0.15 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.23 3m4p s TYR 240 CO 0.05 -0.36 1.26 -1.17 -1.52 0.00 0.00 175.55 173.81 3m4p s LEU 241 N -1.44 3.84 -0.27 -3.49 2.96 -1.26 -1.50 118.68 117.51 3m4p s LEU 241 Ca -0.13 1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 54.78 3m4p s LEU 241 Cb -0.06 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3m4p s LEU 241 CO 0.02 -1.10 0.09 -2.28 -1.32 0.00 0.00 176.35 171.77 3m4p s HIS 242 N 4.36 3.12 -0.21 5.38 5.65 0.65 -2.60 115.29 131.64 3m4p s HIS 242 Ca 0.54 -0.54 -0.12 0.00 0.25 0.00 0.00 55.06 55.19 3m4p s HIS 242 Cb -0.15 -2.27 -0.05 0.00 -1.18 0.00 0.00 32.58 28.94 3m4p s HIS 242 CO 0.23 -0.41 0.24 -1.17 -0.65 0.00 0.00 174.74 172.98 3m4p s LEU 243 N 1.60 4.16 0.03 8.88 2.96 -0.07 -1.82 118.68 134.42 3m4p s LEU 243 Ca 0.05 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3m4p s LEU 243 Cb -0.16 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3m4p s LEU 243 CO 0.04 0.05 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.46 3m4p s GLU 244 N 0.94 0.43 -0.04 1.98 2.02 -0.00 0.11 118.70 124.14 3m4p s GLU 244 Ca 0.12 -0.73 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 3m4p s GLU 244 Cb -0.13 -0.05 0.06 0.00 0.10 0.00 0.00 34.13 34.10 3m4p s GLU 244 CO 0.04 -0.01 0.60 0.00 0.02 0.00 0.00 175.26 175.91 3m4p s ALA 245 N -1.65 -1.55 -0.00 5.21 0.00 -0.86 -1.15 121.76 121.75 3m4p s ALA 245 Ca -0.11 1.08 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3m4p s ALA 245 Cb -0.08 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3m4p s ALA 245 CO -0.01 -0.36 -0.04 -2.00 0.00 0.00 0.00 175.76 173.35 3m4p s GLU 246 N -1.28 0.36 -0.08 0.00 2.56 -0.38 -1.44 118.70 118.43 3m4p s GLU 246 Ca -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.97 54.71 3m4p s GLU 246 Cb -0.01 -0.35 0.01 0.00 2.00 0.00 0.00 34.13 35.79 3m4p s GLU 246 CO 0.08 0.09 -0.14 -0.51 -0.56 0.00 0.00 175.26 174.23 3m4p s LEU 247 N -0.12 1.67 0.55 2.70 1.02 0.20 -1.87 118.68 122.84 3m4p s LEU 247 Ca 0.02 -0.36 -0.08 0.00 0.02 0.00 0.00 54.13 53.73 3m4p s LEU 247 Cb -0.02 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.20 3m4p s LEU 247 CO -0.00 0.03 0.90 -2.16 0.02 0.00 0.00 176.35 175.13 3m4p s PRO 248 N 0.80 3.47 -1.06 1.29 0.04 -1.26 -2.03 135.00 136.25 3m4p s PRO 248 Ca -0.11 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 61.16 3m4p s PRO 248 Cb -0.16 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3m4p s PRO 248 CO 0.02 -0.42 0.79 1.19 0.04 0.00 0.00 177.00 178.62 3m4p n PHE 249 N -2.50 -2.11 -4.23 0.56 3.72 0.39 -4.95 117.46 108.34 3m4p n PHE 249 Ca 0.03 0.61 -0.14 0.00 -0.05 0.00 0.00 57.45 57.90 3m4p n PHE 249 Cb 0.55 -3.55 -0.10 0.00 -0.94 0.00 0.00 39.48 35.44 3m4p n PHE 249 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3m4p s ILE 250 N -3.37 0.03 0.30 4.37 -4.36 -1.17 -5.04 121.20 111.96 3m4p s ILE 250 Ca 0.39 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.84 3m4p s ILE 250 Cb -0.12 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 3m4p s ILE 250 CO 0.83 0.00 -0.03 -0.94 0.24 0.00 0.00 174.94 175.05 3m4p s SER 251 N -3.22 2.79 0.40 4.36 1.04 -1.26 -4.55 113.70 113.27 3m4p s SER 251 Ca 0.39 -1.25 0.15 0.00 0.48 0.00 0.00 55.95 55.72 3m4p s SER 251 Cb 0.06 -0.17 1.01 0.00 0.10 0.00 0.00 66.02 67.01 3m4p s SER 251 CO 0.16 -0.41 1.88 0.15 0.98 0.00 0.00 173.24 175.99 3m4p h PHE 252 N 2.19 0.60 -0.39 5.02 3.57 -1.99 0.58 116.94 126.52 3m4p h PHE 252 Ca -0.41 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 3m4p h PHE 252 Cb 1.24 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3m4p h PHE 252 CO 0.66 0.19 0.11 0.93 -2.23 0.00 0.00 178.31 177.97 3m4p h GLU 253 N 0.48 0.62 -0.66 1.11 4.39 -2.00 -2.36 114.58 116.16 3m4p h GLU 253 Ca 0.44 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 3m4p h GLU 253 Cb 0.97 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 3m4p h GLU 253 CO -0.17 0.64 0.32 -0.44 -1.16 0.00 0.00 179.01 178.20 3m4p h ASP 254 N 0.49 0.83 0.21 1.42 3.32 -1.33 -1.85 116.42 119.52 3m4p h ASP 254 Ca 0.12 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3m4p h ASP 254 Cb 0.29 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3m4p h ASP 254 CO -0.00 0.70 -0.10 0.25 -1.72 0.00 0.00 179.24 178.36 3m4p h LEU 255 N 0.92 -0.24 -0.74 1.55 5.85 -1.11 0.45 115.31 122.00 3m4p h LEU 255 Ca 0.23 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3m4p h LEU 255 Cb 0.08 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3m4p h LEU 255 CO -0.03 0.07 0.48 -0.07 -0.34 0.00 0.00 178.44 178.54 3m4p h LEU 256 N -0.57 0.80 -1.44 2.25 3.38 -1.37 0.11 115.31 118.48 3m4p h LEU 256 Ca -0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3m4p h LEU 256 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m4p h LEU 256 CO 0.05 0.57 -0.28 0.78 0.09 0.00 0.00 178.44 179.64 3m4p h ASN 257 N 0.95 0.00 -0.09 -0.43 2.35 -1.26 -0.78 115.58 116.32 3m4p h ASN 257 Ca 0.29 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.84 3m4p h ASN 257 Cb -0.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.34 3m4p h ASN 257 CO -0.09 0.28 -0.72 -0.74 -1.65 0.00 0.00 177.43 174.51 3m4p h HIS 258 N 0.00 0.91 -0.74 1.19 -0.00 -0.04 -2.00 115.15 114.47 3m4p h HIS 258 Ca -0.00 -0.43 0.01 0.00 -0.00 0.00 0.00 60.37 59.94 3m4p h HIS 258 Cb 0.50 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.74 3m4p h HIS 258 CO 0.00 1.24 0.48 -0.07 -0.00 0.00 0.00 177.93 179.59 3m4p h LEU 259 N 0.31 0.86 -0.18 0.26 3.38 -0.53 0.32 115.31 119.74 3m4p h LEU 259 Ca -0.06 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3m4p h LEU 259 Cb 1.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3m4p h LEU 259 CO 0.15 0.63 0.06 -0.33 0.09 0.00 0.00 178.44 179.04 3m4p h GLU 260 N 1.01 0.14 -0.57 1.13 5.08 -1.18 -1.83 114.58 118.37 3m4p h GLU 260 Ca 0.27 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3m4p h GLU 260 Cb -0.10 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3m4p h GLU 260 CO -0.06 0.10 0.33 0.22 -1.00 0.00 0.00 179.01 178.60 3m4p h ASP 261 N 0.15 0.53 0.80 1.42 3.58 -1.01 -2.20 116.42 119.69 3m4p h ASP 261 Ca 0.08 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 3m4p h ASP 261 Cb 0.04 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 3m4p h ASP 261 CO -0.08 0.37 -0.47 0.25 -2.88 0.00 0.00 179.24 176.43 3m4p h LEU 262 N 0.65 -1.18 -0.28 2.28 5.85 -0.77 -2.11 115.31 119.75 3m4p h LEU 262 Ca 0.23 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3m4p h LEU 262 Cb 0.05 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3m4p h LEU 262 CO -0.11 -0.74 0.08 0.58 -0.34 0.00 0.00 178.44 177.91 3m4p h VAL 263 N -1.19 1.20 -0.07 1.05 2.07 -1.28 -1.69 116.25 116.34 3m4p h VAL 263 Ca -0.11 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 3m4p h VAL 263 Cb 0.95 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3m4p h VAL 263 CO 0.12 0.21 -0.61 0.00 0.02 0.00 0.00 177.57 177.31 3m4p h THR 265 N 0.18 0.77 -0.71 0.00 2.02 -1.26 -1.62 112.91 112.29 3m4p h THR 265 Ca -0.01 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.23 3m4p h THR 265 Cb 1.12 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 3m4p h THR 265 CO 0.09 0.19 0.47 0.58 0.37 0.00 0.00 175.52 177.22 3m4p h VAL 266 N -0.86 1.04 -0.11 3.16 2.07 -1.38 -0.22 116.25 119.95 3m4p h VAL 266 Ca -0.03 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3m4p h VAL 266 Cb 0.51 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3m4p h VAL 266 CO 0.05 0.14 -0.17 0.40 0.02 0.00 0.00 177.57 178.01 3m4p h ILE 267 N 0.77 1.38 -0.75 4.57 2.04 -1.48 -2.39 117.51 121.65 3m4p h ILE 267 Ca 0.30 -1.41 0.06 0.00 1.00 0.00 0.00 64.86 64.81 3m4p h ILE 267 Cb 0.21 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3m4p h ILE 267 CO -0.10 0.41 0.49 0.44 0.00 0.00 0.00 178.15 179.39 3m4p h ASP 268 N -0.11 0.72 -0.16 1.72 3.32 -0.66 0.39 116.42 121.64 3m4p h ASP 268 Ca 0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 3m4p h ASP 268 Cb 0.73 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3m4p h ASP 268 CO 0.04 0.47 -0.47 0.78 -1.72 0.00 0.00 179.24 178.34 3m4p h ASN 269 N 0.82 0.68 0.02 6.45 4.21 -1.06 0.32 115.58 127.02 3m4p h ASN 269 Ca 0.32 -0.59 -0.00 0.00 1.21 0.00 0.00 56.30 57.24 3m4p h ASN 269 Cb 0.21 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3m4p h ASN 269 CO -0.11 1.16 -0.01 0.58 -1.29 0.00 0.00 177.43 177.76 3m4p h VAL 270 N 0.25 1.01 -0.89 2.81 2.07 -1.11 -2.88 116.25 117.51 3m4p h VAL 270 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3m4p h VAL 270 Cb 1.09 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3m4p h VAL 270 CO 0.10 0.02 0.47 0.24 0.02 0.00 0.00 177.57 178.43 3m4p h MET 271 N -0.06 1.25 -0.36 1.57 2.86 -0.94 0.71 114.93 119.96 3m4p h MET 271 Ca -0.00 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3m4p h MET 271 Cb 0.05 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3m4p h MET 271 CO 0.00 0.92 0.25 0.00 1.06 0.00 0.00 176.91 179.15 3m4p h ALA 272 N 1.26 2.26 0.00 6.32 0.00 -0.77 0.69 119.26 129.01 3m4p h ALA 272 Ca 0.31 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.85 3m4p h ALA 272 Cb 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3m4p h ALA 272 CO -0.05 -0.36 -2.36 0.28 0.00 0.00 0.00 179.25 176.77 3m4p n VAL 273 N -4.45 1.36 -1.41 0.00 0.31 -0.76 -4.67 118.33 108.71 3m4p n VAL 273 Ca 0.05 -0.62 0.07 0.00 -0.01 0.00 0.00 64.34 63.83 3m4p n VAL 273 Cb 0.39 -1.07 0.15 0.00 -0.91 0.00 0.00 33.84 32.40 3m4p n VAL 273 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3m4p n HIS 274 N -3.04 0.00 0.05 3.52 8.25 0.24 -4.88 115.22 119.36 3m4p n HIS 274 Ca -0.39 -1.07 -0.10 0.00 -0.26 0.00 0.00 57.72 55.89 3m4p n HIS 274 Cb 1.01 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.88 3m4p n HIS 274 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3m4p h GLY 275 N 0.41 -1.21 0.41 -1.41 0.00 0.27 -1.04 103.07 100.51 3m4p h GLY 275 Ca -0.01 0.63 0.09 0.00 0.00 0.00 0.00 47.33 48.03 3m4p h GLY 275 CO 0.01 -0.34 0.18 -0.55 0.00 0.00 0.00 176.54 175.84 3m4p h ASP 276 N -0.46 0.16 -0.26 0.19 5.19 -1.90 0.27 116.42 119.61 3m4p h ASP 276 Ca 0.00 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.53 3m4p h ASP 276 Cb 0.48 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 3m4p h ASP 276 CO -0.22 0.11 0.05 0.50 -3.12 0.00 0.00 179.24 176.55 3m4p h LYS 277 N 0.35 0.14 -0.18 3.56 3.64 -1.89 -2.50 116.57 119.68 3m4p h LYS 277 Ca 0.28 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 3m4p h LYS 277 Cb 0.34 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3m4p h LYS 277 CO -0.30 0.09 -0.70 0.82 -2.27 0.00 0.00 179.45 177.10 3m4p h ILE 278 N 0.15 1.29 -0.08 2.00 2.04 -0.32 -2.92 117.51 119.67 3m4p h ILE 278 Ca 0.12 -1.92 0.02 0.00 1.00 0.00 0.00 64.86 64.09 3m4p h ILE 278 Cb 0.12 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3m4p h ILE 278 CO -0.16 0.61 0.07 0.03 0.00 0.00 0.00 178.15 178.69 3m4p h ARG 279 N 0.54 0.00 -0.08 2.37 3.08 -0.38 0.67 114.38 120.58 3m4p h ARG 279 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 3m4p h ARG 279 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3m4p h ARG 279 CO 0.14 0.00 -0.79 -0.22 -1.07 0.00 0.00 179.97 178.03 3m4p h LYS 280 N 0.00 0.51 0.08 0.04 3.64 -1.27 -3.19 116.57 116.38 3m4p h LYS 280 Ca 0.04 -0.44 -0.25 0.00 -1.27 0.00 0.00 60.65 58.73 3m4p h LYS 280 Cb 0.17 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3m4p h LYS 280 CO -0.00 1.07 -1.12 0.52 -2.27 0.00 0.00 179.45 177.65 3m4p h MET 281 N 0.33 0.27 -3.00 1.90 2.86 -1.15 -3.39 114.93 112.76 3m4p h MET 281 Ca -0.05 -0.40 -0.62 0.00 -2.06 0.00 0.00 59.70 56.57 3m4p h MET 281 Cb 1.39 0.14 -0.40 0.00 0.06 0.00 0.00 31.60 32.79 3m4p h MET 281 CO 0.14 1.15 -0.71 1.21 1.06 0.00 0.00 176.91 179.77 3m4p s ASN 282 N -7.08 3.78 0.32 1.22 2.47 0.14 -4.74 114.94 111.04 3m4p s ASN 282 Ca -0.04 -3.08 -0.00 0.00 0.42 0.00 0.00 52.86 50.16 3m4p s ASN 282 Cb 0.08 -1.22 0.53 0.00 -1.45 0.00 0.00 41.25 39.18 3m4p s ASN 282 CO 0.87 -0.20 1.98 -0.65 -3.72 0.00 0.00 177.10 175.38 3m4p h PRO 283 N 6.18 0.97 -0.08 0.43 0.11 -1.76 -2.93 132.00 134.92 3m4p h PRO 283 Ca 0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3m4p h PRO 283 Cb 0.87 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3m4p h PRO 283 CO 0.57 0.65 0.00 0.72 -0.21 0.00 0.00 178.00 179.72 3m4p n HIS 284 N -4.42 0.10 -1.78 0.65 8.25 -1.26 -4.90 115.22 111.87 3m4p n HIS 284 Ca 0.08 -0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3m4p n HIS 284 Cb 0.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 3m4p n HIS 284 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3m4p s LEU 285 N -1.38 4.39 -0.18 2.41 2.96 -1.11 -5.00 118.68 120.78 3m4p s LEU 285 Ca 0.22 2.66 -0.01 0.00 -0.22 0.00 0.00 54.13 56.78 3m4p s LEU 285 Cb 0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.24 3m4p s LEU 285 CO 0.17 -0.98 -0.11 -1.59 -1.32 0.00 0.00 176.35 172.52 3m4p s LYS 286 N 2.95 3.28 0.38 1.98 -2.85 -1.26 -5.12 119.74 119.11 3m4p s LYS 286 Ca 0.80 -0.70 -0.24 0.00 -1.00 0.00 0.00 55.97 54.83 3m4p s LYS 286 Cb -0.43 -2.77 -0.09 0.00 -2.06 0.00 0.00 37.83 32.47 3m4p s LYS 286 CO 0.36 -0.06 1.01 -0.51 0.10 0.00 0.00 175.35 176.24 3m4p s LEU 287 N 1.05 4.17 0.33 2.77 1.43 -1.26 -5.03 118.68 122.15 3m4p s LEU 287 Ca -0.00 1.93 -0.27 0.00 -1.03 0.00 0.00 54.13 54.76 3m4p s LEU 287 Cb -0.15 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 3m4p s LEU 287 CO -0.02 -0.35 1.04 -2.16 0.23 0.00 0.00 176.35 175.09 3m4p s PRO 288 N -2.45 4.44 0.19 1.29 0.04 -1.26 -5.07 135.00 132.18 3m4p s PRO 288 Ca 0.56 1.59 0.10 0.00 0.04 0.00 0.00 61.00 63.29 3m4p s PRO 288 Cb -0.19 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3m4p s PRO 288 CO 0.25 0.09 -0.16 0.99 0.04 0.00 0.00 177.00 178.21 3m4p s THR 289 N -1.44 2.84 0.08 1.26 2.01 -1.26 -4.90 115.64 114.23 3m4p s THR 289 Ca 0.51 -1.82 -0.20 0.00 0.31 0.00 0.00 61.69 60.49 3m4p s THR 289 Cb -0.25 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 3m4p s THR 289 CO 0.32 -0.11 0.59 -0.13 -0.69 0.00 0.00 174.62 174.60 3m4p s ARG 290 N -2.77 4.24 0.38 4.92 1.81 -1.26 -3.91 118.95 122.36 3m4p s ARG 290 Ca 0.23 0.78 -0.06 0.00 -1.72 0.00 0.00 55.73 54.97 3m4p s ARG 290 Cb -0.08 -3.24 -0.05 0.00 -0.45 0.00 0.00 34.95 31.13 3m4p s ARG 290 CO 0.13 0.63 0.67 -1.25 -0.68 0.00 0.00 175.30 174.81 3m4p s PRO 291 N -1.11 3.64 0.47 3.54 0.04 -1.26 -5.14 135.00 135.17 3m4p s PRO 291 Ca 0.30 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 3m4p s PRO 291 Cb -0.20 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 3m4p s PRO 291 CO 0.20 0.03 1.04 -0.06 0.04 0.00 0.00 177.00 178.24 3m4p s PHE 292 N -2.36 3.06 0.45 0.56 0.08 -1.25 -5.00 117.98 113.51 3m4p s PHE 292 Ca 0.46 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.85 3m4p s PHE 292 Cb -0.10 -3.06 -0.08 0.00 -0.57 0.00 0.00 43.02 39.20 3m4p s PHE 292 CO 0.35 -0.75 1.37 0.21 -0.10 0.00 0.00 175.22 176.29 3m4p s LYS 293 N -3.10 3.73 0.15 0.44 2.20 -1.24 -4.83 119.74 117.09 3m4p s LYS 293 Ca 0.65 2.29 0.07 0.00 -0.36 0.00 0.00 55.97 58.63 3m4p s LYS 293 Cb -0.17 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3m4p s LYS 293 CO 0.21 -0.74 -0.05 1.03 -0.36 0.00 0.00 175.35 175.44 3m4p s ARG 294 N -2.43 2.24 -0.30 4.03 0.52 -1.26 -0.84 118.95 120.91 3m4p s ARG 294 Ca 0.61 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 3m4p s ARG 294 Cb -0.41 -2.31 0.16 0.00 0.52 0.00 0.00 34.95 32.91 3m4p s ARG 294 CO 0.52 0.47 0.68 1.41 0.02 0.00 0.00 175.30 178.40 3m4p s MET 295 N -2.65 0.53 0.58 3.54 1.75 -0.65 -4.95 119.30 117.46 3m4p s MET 295 Ca 0.25 1.18 -0.16 0.00 -1.25 0.00 0.00 55.69 55.71 3m4p s MET 295 Cb -0.10 0.69 -0.04 0.00 2.84 0.00 0.00 34.83 38.22 3m4p s MET 295 CO 0.16 -0.35 1.04 0.95 -0.65 0.00 0.00 175.02 176.18 3m4p s THR 296 N 2.85 3.96 0.31 10.11 -4.23 -1.26 -0.82 115.64 126.55 3m4p s THR 296 Ca 0.05 0.91 0.08 0.00 -1.18 0.00 0.00 61.69 61.55 3m4p s THR 296 Cb -0.13 -3.45 0.31 0.00 1.34 0.00 0.00 72.50 70.57 3m4p s THR 296 CO -0.19 -0.56 1.69 0.22 -0.54 0.00 0.00 174.62 175.23 3m4p h TYR 297 N 0.46 0.78 -0.12 3.99 3.20 -1.29 0.22 116.97 124.21 3m4p h TYR 297 Ca -0.47 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.47 3m4p h TYR 297 Cb 1.21 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3m4p h TYR 297 CO 0.60 -0.07 -0.04 0.00 -1.64 0.00 0.00 178.16 177.01 3m4p h ALA 298 N 1.76 0.07 -0.73 1.82 0.00 -1.86 -1.04 119.26 119.28 3m4p h ALA 298 Ca 0.62 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.69 3m4p h ALA 298 Cb 1.26 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3m4p h ALA 298 CO -0.55 -0.49 0.35 -0.44 0.00 0.00 0.00 179.25 178.12 3m4p h ASP 299 N -0.01 0.44 0.49 0.00 3.32 -0.99 -2.30 116.42 117.37 3m4p h ASP 299 Ca 0.06 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3m4p h ASP 299 Cb 0.10 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3m4p h ASP 299 CO -0.13 0.24 -0.23 0.00 -1.72 0.00 0.00 179.24 177.39 3m4p h ALA 300 N 1.46 -0.65 -0.96 3.45 0.00 -0.80 0.14 119.26 121.89 3m4p h ALA 300 Ca 0.37 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.34 3m4p h ALA 300 Cb 0.42 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 3m4p h ALA 300 CO -0.29 -0.77 0.51 0.82 0.00 0.00 0.00 179.25 179.51 3m4p h ILE 301 N -0.84 0.47 -0.35 0.00 1.08 -1.08 0.34 117.51 117.13 3m4p h ILE 301 Ca -0.07 -0.16 -0.11 0.00 -0.39 0.00 0.00 64.86 64.14 3m4p h ILE 301 Cb 0.58 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 3m4p h ILE 301 CO 0.11 0.08 -0.21 0.50 -0.69 0.00 0.00 178.15 177.94 3m4p h LYS 302 N 0.46 0.76 -0.87 2.37 3.64 -1.25 -3.01 116.57 118.67 3m4p h LYS 302 Ca 0.63 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3m4p h LYS 302 Cb 1.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3m4p h LYS 302 CO -0.52 0.97 0.52 -0.92 -2.27 0.00 0.00 179.45 177.22 3m4p h TYR 303 N 0.54 1.15 0.00 1.91 3.20 0.16 -1.85 116.97 122.07 3m4p h TYR 303 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3m4p h TYR 303 Cb 0.76 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3m4p h TYR 303 CO 0.06 0.76 0.00 0.00 -1.64 0.00 0.00 178.16 177.34 3m4p n ASN 305 N -1.66 2.07 -0.01 0.00 4.13 -0.85 -1.16 115.26 117.76 3m4p n ASN 305 Ca 0.05 0.23 0.15 0.00 1.68 0.00 0.00 54.58 56.69 3m4p n ASN 305 Cb 0.27 -0.86 0.76 0.00 -1.54 0.00 0.00 39.78 38.41 3m4p n ASN 305 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3m4p n ASP 306 N -3.67 0.06 -0.80 6.41 8.00 -0.75 -2.83 116.55 122.98 3m4p n ASP 306 Ca -0.33 -0.28 0.05 0.00 0.71 0.00 0.00 54.79 54.93 3m4p n ASP 306 Cb 0.97 -0.23 0.11 0.00 -0.02 0.00 0.00 41.12 41.96 3m4p n ASP 306 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3m4p n HIS 307 N -1.22 0.00 -2.15 1.24 8.25 -0.94 -5.02 115.22 115.38 3m4p n HIS 307 Ca 0.15 -0.92 -0.10 0.00 -0.26 0.00 0.00 57.72 56.60 3m4p n HIS 307 Cb 0.23 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 3m4p n HIS 307 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4p n GLY 308 N -0.51 -0.13 3.46 -1.41 0.00 -1.13 -4.85 105.19 100.61 3m4p n GLY 308 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3m4p n GLY 308 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m4p n ILE 309 N -2.78 3.91 -2.29 -0.61 5.41 -0.31 -4.96 119.36 117.73 3m4p n ILE 309 Ca -0.11 -4.00 -0.39 0.00 1.00 0.00 0.00 62.75 59.25 3m4p n ILE 309 Cb 0.51 -2.39 -0.02 0.00 -0.71 0.00 0.00 39.64 37.03 3m4p n ILE 309 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3m4p s LEU 310 N 3.78 4.30 -0.83 1.39 1.02 -1.26 -4.74 118.68 122.33 3m4p s LEU 310 Ca 0.52 2.40 -0.25 0.00 0.02 0.00 0.00 54.13 56.82 3m4p s LEU 310 Cb 0.05 -3.89 -0.07 0.00 0.02 0.00 0.00 46.19 42.30 3m4p s LEU 310 CO 0.05 -0.56 2.07 0.21 0.02 0.00 0.00 176.35 178.14 3m4p s ASN 311 N -0.97 4.81 0.00 2.29 2.47 0.41 -5.67 114.94 118.28 3m4p s ASN 311 Ca 0.53 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.49 3m4p s ASN 311 Cb -0.33 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 3m4p s ASN 311 CO 0.42 -3.01 0.00 2.29 -3.72 0.00 0.00 177.10 173.08 3m4p n LYS 312 N 8.88 0.00 0.00 0.43 0.00 -1.26 -3.31 118.16 122.91 3m4p n LYS 312 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 3m4p n LYS 312 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 3m4p n LYS 312 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3m4p n ASP 313 N 1.89 0.00 -4.38 -5.58 3.85 -1.26 -5.03 116.55 106.05 3m4p n ASP 313 Ca 0.00 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.79 3m4p n ASP 313 Cb 0.00 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 39.93 3m4p n ASP 313 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3m4p s LYS 314 N 0.00 0.81 0.75 0.11 -2.85 -1.21 -4.83 119.74 112.52 3m4p s LYS 314 Ca 0.00 -0.14 -0.11 0.00 -1.00 0.00 0.00 55.97 54.72 3m4p s LYS 314 Cb 0.00 -1.84 0.04 0.00 -2.06 0.00 0.00 37.83 33.97 3m4p s LYS 314 CO 0.00 -2.34 1.08 -2.14 0.10 0.00 0.00 175.35 172.05 3m4p s PRO 315 N -5.67 2.46 0.27 1.78 0.02 -1.26 -0.45 135.00 132.16 3m4p s PRO 315 Ca 0.69 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.22 3m4p s PRO 315 Cb -0.08 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 3m4p s PRO 315 CO 0.52 -1.39 1.09 -0.06 -0.33 0.00 0.00 177.00 176.83 3m4p s PHE 316 N -3.09 3.61 0.09 6.54 0.08 -1.26 -4.61 117.98 119.34 3m4p s PHE 316 Ca 0.60 1.72 0.07 0.00 0.12 0.00 0.00 56.93 59.43 3m4p s PHE 316 Cb -0.14 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 3m4p s PHE 316 CO 0.55 -0.47 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.86 3m4p s GLU 317 N -1.40 2.06 0.05 0.44 0.41 -1.26 -4.96 118.70 114.03 3m4p s GLU 317 Ca 0.44 -1.04 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 3m4p s GLU 317 Cb -0.31 -2.25 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 3m4p s GLU 317 CO 0.40 0.51 1.63 -0.47 -0.49 0.00 0.00 175.26 176.85 3m4p s TYR 318 N -1.15 2.38 0.00 1.61 5.04 -1.26 -2.93 117.35 121.05 3m4p s TYR 318 Ca 0.19 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 3m4p s TYR 318 Cb -0.11 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.27 3m4p s TYR 318 CO 0.11 -3.76 0.00 0.41 -1.34 0.00 0.00 175.55 170.97 3m4p n GLY 319 N 3.99 2.07 3.75 8.97 0.00 -1.26 -5.10 105.19 117.61 3m4p n GLY 319 Ca 0.16 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3m4p n GLY 319 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4p s GLU 320 N 0.00 3.15 0.26 1.61 2.02 -1.15 -4.97 118.70 119.63 3m4p s GLU 320 Ca 0.00 2.05 -0.29 0.00 0.02 0.00 0.00 54.97 56.74 3m4p s GLU 320 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.97 3m4p s GLU 320 CO 0.00 -1.12 1.15 0.34 0.02 0.00 0.00 175.26 175.64 3m4p s ASP 321 N -1.21 7.17 -0.60 -0.19 -1.08 -1.26 -4.99 116.67 114.50 3m4p s ASP 321 Ca 0.73 2.31 -0.21 0.00 -0.52 0.00 0.00 52.55 54.85 3m4p s ASP 321 Cb -0.36 -2.63 0.07 0.00 -1.46 0.00 0.00 42.92 38.55 3m4p s ASP 321 CO 0.41 -0.24 0.85 -0.63 0.52 0.00 0.00 175.17 176.08 3m4p s ILE 322 N -0.91 4.53 1.04 4.11 1.01 -1.26 -5.05 121.20 124.67 3m4p s ILE 322 Ca 0.47 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 3m4p s ILE 322 Cb -0.33 -4.56 0.21 0.00 0.01 0.00 0.00 42.46 37.79 3m4p s ILE 322 CO 0.42 -1.23 1.13 -0.94 0.00 0.00 0.00 174.94 174.32 3m4p s SER 323 N 3.39 2.30 0.41 3.58 1.04 -1.26 -4.84 113.70 118.32 3m4p s SER 323 Ca 0.20 0.84 0.11 0.00 0.48 0.00 0.00 55.95 57.58 3m4p s SER 323 Cb -0.18 -1.28 0.87 0.00 0.10 0.00 0.00 66.02 65.53 3m4p s SER 323 CO 0.11 -3.29 1.96 -0.08 0.98 0.00 0.00 173.24 172.91 3m4p h GLU 324 N -2.01 0.18 0.37 4.02 4.81 -1.98 -2.85 114.58 117.11 3m4p h GLU 324 Ca -0.49 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3m4p h GLU 324 Cb 1.31 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3m4p h GLU 324 CO 0.49 0.31 -0.18 0.87 -0.73 0.00 0.00 179.01 179.77 3m4p h LYS 325 N 0.18 -0.47 0.00 1.92 1.57 -2.00 -1.80 116.57 115.96 3m4p h LYS 325 Ca 0.04 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3m4p h LYS 325 Cb 0.32 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3m4p h LYS 325 CO 0.02 -0.19 -0.24 -1.35 -0.57 0.00 0.00 179.45 177.12 3m4p h PRO 326 N -1.01 0.00 -0.35 3.15 0.11 -1.96 -2.18 132.00 129.76 3m4p h PRO 326 Ca -0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3m4p h PRO 326 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3m4p h PRO 326 CO 0.08 0.24 -0.02 1.49 -0.21 0.00 0.00 178.00 179.59 3m4p h GLU 327 N 0.00 0.54 0.26 1.05 4.81 -1.52 -2.27 114.58 117.45 3m4p h GLU 327 Ca -0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3m4p h GLU 327 Cb 0.43 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3m4p h GLU 327 CO 0.03 0.58 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.68 3m4p h ARG 328 N 0.52 -0.34 -0.83 1.92 2.43 -0.71 -2.22 114.38 115.15 3m4p h ARG 328 Ca 0.11 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.50 3m4p h ARG 328 Cb 0.36 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 29.84 3m4p h ARG 328 CO 0.01 -0.00 0.02 1.96 -1.51 0.00 0.00 179.97 180.45 3m4p h GLN 329 N -0.73 0.09 0.08 0.20 4.20 -1.37 0.93 115.11 118.51 3m4p h GLN 329 Ca -0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3m4p h GLN 329 Cb 0.49 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3m4p h GLN 329 CO 0.06 0.06 -0.04 1.98 -0.67 0.00 0.00 178.83 180.22 3m4p h MET 330 N 0.09 -0.10 -0.54 1.46 4.05 -1.40 -1.89 114.93 116.61 3m4p h MET 330 Ca 0.47 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.83 3m4p h MET 330 Cb 0.86 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 3m4p h MET 330 CO -0.73 0.13 0.07 1.15 0.23 0.00 0.00 176.91 177.76 3m4p h THR 331 N -0.33 1.24 -0.06 -0.77 2.02 -0.70 -0.85 112.91 113.47 3m4p h THR 331 Ca -0.01 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 3m4p h THR 331 Cb 0.28 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3m4p h THR 331 CO 0.02 0.34 0.04 0.44 0.37 0.00 0.00 175.52 176.73 3m4p h ASP 332 N 0.82 0.08 -0.46 4.18 3.32 -0.81 0.44 116.42 123.98 3m4p h ASP 332 Ca 0.17 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3m4p h ASP 332 Cb 0.39 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3m4p h ASP 332 CO 0.01 0.12 0.31 -0.33 -1.72 0.00 0.00 179.24 177.63 3m4p h GLU 333 N 0.02 0.61 -0.27 3.56 5.08 -0.96 -1.75 114.58 120.88 3m4p h GLU 333 Ca 0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3m4p h GLU 333 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m4p h GLU 333 CO -0.00 0.40 -0.21 0.82 -1.00 0.00 0.00 179.01 179.02 3m4p h ILE 334 N 0.63 1.25 -3.32 3.13 2.04 -1.08 -3.47 117.51 116.68 3m4p h ILE 334 Ca 0.17 -1.18 -0.19 0.00 1.00 0.00 0.00 64.86 64.65 3m4p h ILE 334 Cb -0.07 1.28 0.07 0.00 -0.74 0.00 0.00 36.82 37.35 3m4p h ILE 334 CO -0.04 0.38 -0.33 0.61 0.00 0.00 0.00 178.15 178.77 3m4p n GLY 335 N -0.46 0.22 3.79 5.37 0.00 0.15 -5.01 105.19 109.25 3m4p n GLY 335 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3m4p n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4p s PRO 337 N -3.46 3.09 -0.09 0.00 0.02 -1.26 -4.44 135.00 128.85 3m4p s PRO 337 Ca 0.12 2.21 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 3m4p s PRO 337 Cb -0.03 -2.22 0.05 0.00 0.02 0.00 0.00 34.50 32.32 3m4p s PRO 337 CO 0.04 -1.22 0.14 0.42 -0.33 0.00 0.00 177.00 176.05 3m4p s ILE 338 N -1.32 -0.23 -0.07 2.83 1.01 -0.71 -3.67 121.20 119.05 3m4p s ILE 338 Ca 0.73 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 3m4p s ILE 338 Cb -0.40 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 3m4p s ILE 338 CO 0.47 0.09 1.40 -0.36 0.00 0.00 0.00 174.94 176.54 3m4p s PHE 339 N 2.26 2.67 -0.26 3.97 0.08 -0.02 -0.65 117.98 126.04 3m4p s PHE 339 Ca 0.04 0.76 -0.07 0.00 0.12 0.00 0.00 56.93 57.77 3m4p s PHE 339 Cb -0.13 -3.66 -0.02 0.00 -0.57 0.00 0.00 43.02 38.65 3m4p s PHE 339 CO -0.06 -2.46 0.08 1.41 -0.10 0.00 0.00 175.22 174.08 3m4p s MET 340 N 3.10 3.54 0.37 0.44 1.75 -0.13 -1.64 119.30 126.74 3m4p s MET 340 Ca 0.63 -0.56 0.05 0.00 -1.25 0.00 0.00 55.69 54.56 3m4p s MET 340 Cb -0.28 -3.35 -0.06 0.00 2.84 0.00 0.00 34.83 33.97 3m4p s MET 340 CO 0.23 -0.25 0.04 0.96 -0.65 0.00 0.00 175.02 175.36 3m4p s ILE 341 N 1.60 1.45 -1.01 10.11 -4.36 -0.00 -0.75 121.20 128.24 3m4p s ILE 341 Ca 0.06 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.35 3m4p s ILE 341 Cb -0.16 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 3m4p s ILE 341 CO 0.04 0.00 0.83 1.41 0.24 0.00 0.00 174.94 177.45 3m4p n HIS 342 N -0.85 -2.36 -3.06 1.37 8.25 -0.90 -1.25 115.22 116.42 3m4p n HIS 342 Ca -0.05 0.78 -0.36 0.00 -0.26 0.00 0.00 57.72 57.83 3m4p n HIS 342 Cb 0.67 -3.84 -0.06 0.00 1.12 0.00 0.00 29.99 27.87 3m4p n HIS 342 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3m4p s PHE 343 N -3.32 3.62 0.40 4.41 0.08 -1.22 -3.89 117.98 118.05 3m4p s PHE 343 Ca 0.36 1.42 -0.24 0.00 0.12 0.00 0.00 56.93 58.59 3m4p s PHE 343 Cb -0.08 -2.65 -0.11 0.00 -0.57 0.00 0.00 43.02 39.60 3m4p s PHE 343 CO 0.79 0.29 0.91 -2.30 -0.10 0.00 0.00 175.22 174.80 3m4p n PRO 344 N 0.57 1.16 -0.22 0.24 -0.02 -1.26 -0.69 135.00 134.77 3m4p n PRO 344 Ca -0.01 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 3m4p n PRO 344 Cb 0.51 -1.88 0.06 0.00 -0.02 0.00 0.00 33.50 32.17 3m4p n PRO 344 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3m4p h SER 345 N 1.42 0.64 0.10 2.55 0.02 -1.43 -2.10 113.55 114.76 3m4p h SER 345 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3m4p h SER 345 Cb 1.35 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3m4p h SER 345 CO 0.56 0.44 0.00 0.29 -1.14 0.00 0.00 176.83 176.99 3m4p n LYS 346 N -4.71 0.08 0.00 3.45 4.01 -1.26 -2.18 118.16 117.55 3m4p n LYS 346 Ca 0.06 0.54 0.09 0.00 -0.51 0.00 0.00 58.31 58.49 3m4p n LYS 346 Cb 0.08 -1.74 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 3m4p n LYS 346 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 3m4p n MET 347 N -1.91 1.57 -4.43 1.97 0.00 -0.79 -5.03 117.12 108.49 3m4p n MET 347 Ca -0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 57.70 56.48 3m4p n MET 347 Cb 0.05 -1.34 -0.09 0.00 0.00 0.00 0.00 33.22 31.85 3m4p n MET 347 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3m4p s LYS 348 N -1.98 1.79 0.76 2.12 -0.14 -0.92 -5.01 119.74 116.37 3m4p s LYS 348 Ca 0.16 -2.06 -0.12 0.00 -1.36 0.00 0.00 55.97 52.58 3m4p s LYS 348 Cb 0.15 -0.39 0.06 0.00 -1.68 0.00 0.00 37.83 35.97 3m4p s LYS 348 CO 0.42 -0.47 1.13 0.00 -0.76 0.00 0.00 175.35 175.66 3m4p s ALA 349 N -3.35 2.13 0.49 5.17 0.00 -1.26 -4.94 121.76 120.00 3m4p s ALA 349 Ca 0.30 0.50 0.18 0.00 0.00 0.00 0.00 51.96 52.94 3m4p s ALA 349 Cb 0.04 -3.35 1.26 0.00 0.00 0.00 0.00 23.12 21.07 3m4p s ALA 349 CO 0.17 -1.86 2.10 0.27 0.00 0.00 0.00 175.76 176.44 3m4p h PHE 350 N -0.85 0.00 0.00 0.00 -5.15 -1.92 -3.15 116.94 105.88 3m4p h PHE 350 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3m4p h PHE 350 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3m4p h PHE 350 CO 0.54 0.08 0.00 2.48 -2.00 0.00 0.00 178.31 179.41 3m4p n TYR 351 N -4.28 0.45 -2.41 6.09 0.18 -1.26 -4.85 117.16 111.08 3m4p n TYR 351 Ca -0.03 0.14 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 3m4p n TYR 351 Cb 0.16 -0.73 -0.03 0.00 -0.38 0.00 0.00 39.34 38.36 3m4p n TYR 351 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3m4p s MET 352 N -3.08 4.36 0.62 -3.48 -1.94 -1.19 -1.03 119.30 113.56 3m4p s MET 352 Ca 0.11 1.75 -0.17 0.00 -1.71 0.00 0.00 55.69 55.67 3m4p s MET 352 Cb 0.14 -3.50 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 3m4p s MET 352 CO 0.50 -0.41 1.13 -1.54 -0.01 0.00 0.00 175.02 174.69 3m4p s SER 353 N 1.42 5.25 0.21 3.03 1.04 -0.93 -4.61 113.70 119.11 3m4p s SER 353 Ca 0.58 2.13 -0.01 0.00 0.48 0.00 0.00 55.95 59.12 3m4p s SER 353 Cb -0.27 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.24 3m4p s SER 353 CO 0.25 -1.54 0.41 -0.54 0.98 0.00 0.00 173.24 172.80 3m4p s LYS 354 N -3.73 3.53 0.10 4.02 -0.14 -1.26 -0.95 119.74 121.32 3m4p s LYS 354 Ca 0.71 -0.30 -0.31 0.00 -1.36 0.00 0.00 55.97 54.70 3m4p s LYS 354 Cb -0.23 -2.82 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 3m4p s LYS 354 CO 0.36 0.38 1.63 0.08 -0.76 0.00 0.00 175.35 177.04 3m4p s VAL 355 N -1.90 2.87 -0.09 3.17 1.01 -0.63 -4.64 120.40 120.19 3m4p s VAL 355 Ca 0.39 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 3m4p s VAL 355 Cb -0.11 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3m4p s VAL 355 CO 0.29 0.01 1.68 -2.16 0.00 0.00 0.00 175.10 174.92 3m4p s PRO 356 N 2.13 4.06 0.00 2.72 0.04 -1.26 -1.03 135.00 141.66 3m4p s PRO 356 Ca 0.73 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3m4p s PRO 356 Cb -0.41 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.11 3m4p s PRO 356 CO 0.32 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.78 3m4p n GLY 357 N 4.31 2.31 2.94 0.56 0.00 -1.26 -4.98 105.19 109.07 3m4p n GLY 357 Ca 0.18 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3m4p n GLY 357 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m4p s HIS 358 N -1.44 3.38 0.60 1.61 3.76 -0.20 -4.94 115.29 118.06 3m4p s HIS 358 Ca 0.00 -3.23 0.31 0.00 -0.15 0.00 0.00 55.06 51.99 3m4p s HIS 358 Cb 0.00 -2.80 1.86 0.00 1.11 0.00 0.00 32.58 32.75 3m4p s HIS 358 CO 0.00 -0.66 2.26 -1.35 -0.85 0.00 0.00 174.74 174.14 3m4p h PRO 359 N 6.03 0.00 0.00 8.40 0.11 -1.94 -2.31 132.00 142.29 3m4p h PRO 359 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3m4p h PRO 359 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3m4p h PRO 359 CO 0.71 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 3m4p n ASP 360 N -3.81 0.04 -4.63 -2.05 5.75 -1.26 -4.82 116.55 105.77 3m4p n ASP 360 Ca -0.03 0.50 -0.23 0.00 -0.01 0.00 0.00 54.79 55.02 3m4p n ASP 360 Cb 0.08 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 3m4p n ASP 360 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3m4p s LEU 361 N -3.08 3.14 0.13 -2.12 1.43 -0.87 -1.19 118.68 116.13 3m4p s LEU 361 Ca 0.13 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3m4p s LEU 361 Cb 0.17 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3m4p s LEU 361 CO 0.49 0.01 -0.23 0.42 0.23 0.00 0.00 176.35 177.27 3m4p s THR 362 N -2.30 2.53 -1.35 5.49 -4.23 0.13 -1.61 115.64 114.30 3m4p s THR 362 Ca 0.31 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 3m4p s THR 362 Cb -0.06 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.74 3m4p s THR 362 CO 0.19 0.06 2.02 -0.62 -0.54 0.00 0.00 174.62 175.73 3m4p n GLU 363 N 0.76 3.33 -4.36 3.99 1.02 -0.13 -3.46 120.64 121.80 3m4p n GLU 363 Ca -0.16 -3.17 -0.26 0.00 -0.02 0.00 0.00 57.16 53.55 3m4p n GLU 363 Cb 0.53 -3.06 -0.10 0.00 -0.02 0.00 0.00 31.44 28.79 3m4p n GLU 363 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m4p s SER 364 N 1.75 3.89 -0.01 1.62 1.04 -1.26 -1.57 113.70 119.16 3m4p s SER 364 Ca 0.42 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3m4p s SER 364 Cb 0.11 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.73 3m4p s SER 364 CO -0.03 0.10 -0.00 0.54 0.98 0.00 0.00 173.24 174.83 3m4p s VAL 365 N -1.77 0.07 -0.15 5.02 0.11 -0.59 -2.12 120.40 120.97 3m4p s VAL 365 Ca 0.24 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 3m4p s VAL 365 Cb -0.08 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 3m4p s VAL 365 CO 0.13 0.04 -0.08 -1.81 -3.33 0.00 0.00 175.10 170.06 3m4p s ASP 366 N 0.22 2.70 -0.41 3.54 1.01 0.07 -1.16 116.67 122.64 3m4p s ASP 366 Ca -0.02 -0.56 -0.24 0.00 0.71 0.00 0.00 52.55 52.44 3m4p s ASP 366 Cb -0.03 -0.98 0.02 0.00 1.01 0.00 0.00 42.92 42.93 3m4p s ASP 366 CO -0.01 -0.14 0.84 -0.22 0.21 0.00 0.00 175.17 175.85 3m4p s LEU 367 N 1.60 4.12 -0.15 1.23 2.96 0.16 -0.95 118.68 127.64 3m4p s LEU 367 Ca 0.02 0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 3m4p s LEU 367 Cb -0.14 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3m4p s LEU 367 CO -0.08 -0.88 0.16 -0.76 -1.32 0.00 0.00 176.35 173.47 3m4p s LEU 368 N 3.36 4.32 -0.08 -0.68 1.43 0.18 -1.62 118.68 125.58 3m4p s LEU 368 Ca 0.33 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 3m4p s LEU 368 Cb -0.12 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3m4p s LEU 368 CO 0.21 0.30 -0.16 -0.32 0.23 0.00 0.00 176.35 176.61 3m4p s MET 369 N -0.41 2.14 -0.26 1.70 1.75 -0.56 -1.74 119.30 121.91 3m4p s MET 369 Ca 0.13 -0.56 -0.39 0.00 -1.25 0.00 0.00 55.69 53.62 3m4p s MET 369 Cb -0.12 -1.72 -0.14 0.00 2.84 0.00 0.00 34.83 35.68 3m4p s MET 369 CO 0.02 0.05 1.84 -2.30 -0.65 0.00 0.00 175.02 173.99 3m4p n PRO 370 N 3.80 1.30 0.00 4.11 -0.02 -1.26 -0.83 135.00 142.10 3m4p n PRO 370 Ca -0.21 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3m4p n PRO 370 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3m4p n PRO 370 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4p n GLY 371 N 4.64 2.38 0.09 -1.23 0.00 -1.26 -4.78 105.19 105.03 3m4p n GLY 371 Ca 0.29 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 3m4p n GLY 371 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3m4p h VAL 372 N 0.00 0.86 0.00 1.61 -1.51 -1.86 -3.51 116.25 111.84 3m4p h VAL 372 Ca 0.00 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.00 3m4p h VAL 372 Cb 0.00 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3m4p h VAL 372 CO 0.00 0.49 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 3m4p n GLY 373 N 1.41 0.34 3.66 5.19 0.00 -0.01 -4.89 105.19 110.88 3m4p n GLY 373 Ca -0.08 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3m4p n GLY 373 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4p s GLU 374 N 0.00 4.13 -0.00 1.61 2.12 -1.26 -1.50 118.70 123.80 3m4p s GLU 374 Ca 0.00 2.27 0.07 0.00 0.36 0.00 0.00 54.97 57.67 3m4p s GLU 374 Cb 0.00 -4.04 -0.08 0.00 0.26 0.00 0.00 34.13 30.27 3m4p s GLU 374 CO 0.00 -0.92 0.23 0.44 -0.54 0.00 0.00 175.26 174.47 3m4p n ILE 375 N 5.58 0.00 -3.87 -3.70 -5.35 -0.64 -4.95 119.36 106.43 3m4p n ILE 375 Ca 0.18 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 3m4p n ILE 375 Cb 0.42 0.77 -0.13 0.00 -1.74 0.00 0.00 39.64 38.97 3m4p n ILE 375 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3m4p s VAL 376 N -1.91 0.02 -0.04 7.28 1.01 -1.22 -2.47 120.40 123.07 3m4p s VAL 376 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3m4p s VAL 376 Cb 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.31 3m4p s VAL 376 CO 0.27 -0.10 0.06 -0.83 0.00 0.00 0.00 175.10 174.51 3m4p s GLY 377 N -0.28 0.12 0.22 4.51 0.00 -0.70 -0.67 107.32 110.53 3m4p s GLY 377 Ca -0.03 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 3m4p s GLY 377 CO 0.00 1.05 0.32 0.61 0.00 0.00 0.00 173.10 175.08 3m4p n GLY 378 N 4.68 2.37 3.75 0.20 0.00 -0.31 -1.31 105.19 114.56 3m4p n GLY 378 Ca -0.17 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 3m4p n GLY 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m4p s SER 379 N -2.31 -0.08 0.45 1.61 1.04 -0.74 -1.54 113.70 112.14 3m4p s SER 379 Ca 0.17 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 3m4p s SER 379 Cb -0.01 0.31 -0.07 0.00 0.10 0.00 0.00 66.02 66.36 3m4p s SER 379 CO 0.12 -0.60 0.85 -0.04 0.98 0.00 0.00 173.24 174.55 3m4p s MET 380 N -2.60 3.81 0.01 4.02 -1.94 -0.61 -1.90 119.30 120.10 3m4p s MET 380 Ca 0.17 0.62 0.05 0.00 -1.71 0.00 0.00 55.69 54.81 3m4p s MET 380 Cb 0.01 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 3m4p s MET 380 CO -0.00 -0.15 -0.11 1.03 -0.01 0.00 0.00 175.02 175.78 3m4p s ARG 381 N -4.04 2.38 0.16 2.03 1.81 -0.55 -2.20 118.95 118.54 3m4p s ARG 381 Ca 0.53 -0.81 -0.33 0.00 -1.72 0.00 0.00 55.73 53.41 3m4p s ARG 381 Cb -0.10 -2.38 -0.12 0.00 -0.45 0.00 0.00 34.95 31.89 3m4p s ARG 381 CO 0.33 0.58 1.71 -0.89 -0.68 0.00 0.00 175.30 176.36 3m4p n ILE 382 N 1.59 0.10 -0.04 1.52 5.41 -0.20 -4.52 119.36 123.22 3m4p n ILE 382 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3m4p n ILE 382 Cb 0.52 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 3m4p n ILE 382 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 3m4p n TRP 383 N 4.27 0.00 -3.47 1.39 4.27 -1.26 -4.96 117.44 117.69 3m4p n TRP 383 Ca 0.17 -0.23 -0.37 0.00 -3.89 0.00 0.00 57.50 53.18 3m4p n TRP 383 Cb 0.33 -0.02 -0.06 0.00 -1.36 0.00 0.00 31.31 30.20 3m4p n TRP 383 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3m4p s ASN 384 N -0.46 6.58 0.10 -0.67 3.84 -1.26 -4.73 114.94 118.34 3m4p s ASN 384 Ca 0.00 0.69 -0.25 0.00 0.21 0.00 0.00 52.86 53.51 3m4p s ASN 384 Cb 0.00 -2.22 -0.12 0.00 -0.55 0.00 0.00 41.25 38.35 3m4p s ASN 384 CO 0.00 0.11 1.70 0.22 -2.79 0.00 0.00 177.10 176.34 3m4p h TYR 385 N 6.30 -0.29 -0.54 0.43 3.20 -1.93 -2.67 116.97 121.48 3m4p h TYR 385 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3m4p h TYR 385 Cb 1.18 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 3m4p h TYR 385 CO 0.63 -0.17 0.35 -0.44 -1.64 0.00 0.00 178.16 176.89 3m4p h ASP 386 N -0.25 0.63 -0.63 -2.11 3.32 -1.95 -2.81 116.42 112.61 3m4p h ASP 386 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3m4p h ASP 386 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3m4p h ASP 386 CO -0.03 0.47 0.41 -0.08 -1.72 0.00 0.00 179.24 178.29 3m4p h GLU 387 N 0.73 0.83 -0.14 3.56 4.81 -1.94 -2.17 114.58 120.27 3m4p h GLU 387 Ca 0.20 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3m4p h GLU 387 Cb -0.07 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 3m4p h GLU 387 CO -0.04 0.56 -0.03 1.25 -0.73 0.00 0.00 179.01 180.01 3m4p h LEU 388 N 0.86 0.28 -1.09 1.64 5.85 -1.23 -0.20 115.31 121.41 3m4p h LEU 388 Ca 0.23 -0.36 0.16 0.00 0.84 0.00 0.00 57.88 58.74 3m4p h LEU 388 Cb -0.09 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 3m4p h LEU 388 CO -0.05 0.58 0.61 0.24 -0.34 0.00 0.00 178.44 179.48 3m4p h MET 389 N -0.02 0.79 -0.24 1.25 2.86 -1.37 0.64 114.93 118.85 3m4p h MET 389 Ca 0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3m4p h MET 389 Cb 0.45 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3m4p h MET 389 CO 0.01 0.52 0.14 0.78 1.06 0.00 0.00 176.91 179.43 3m4p h GLY 390 N 0.82 0.35 0.47 8.32 0.00 -0.98 -2.29 103.07 109.75 3m4p h GLY 390 Ca 0.52 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.78 3m4p h GLY 390 CO -0.29 0.14 0.23 0.00 0.00 0.00 0.00 176.54 176.62 3m4p h ALA 391 N 1.03 0.75 -0.56 3.60 0.00 0.80 -0.45 119.26 124.42 3m4p h ALA 391 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m4p h ALA 391 Cb 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3m4p h ALA 391 CO -0.01 -0.17 0.35 1.88 0.00 0.00 0.00 179.25 181.30 3m4p h TYR 392 N 0.43 0.66 -0.16 0.00 0.05 -0.86 -1.86 116.97 115.23 3m4p h TYR 392 Ca 0.29 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 3m4p h TYR 392 Cb 0.32 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3m4p h TYR 392 CO -0.15 0.39 -0.01 -0.22 -1.05 0.00 0.00 178.16 177.12 3m4p h LYS 393 N 0.70 0.28 -0.40 4.88 3.64 -0.77 -0.13 116.57 124.77 3m4p h LYS 393 Ca 0.22 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3m4p h LYS 393 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3m4p h LYS 393 CO -0.08 0.51 -0.03 0.00 -2.27 0.00 0.00 179.45 177.58 3m4p h ALA 394 N 0.76 1.20 -0.17 5.00 0.00 -1.09 -2.66 119.26 122.30 3m4p h ALA 394 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3m4p h ALA 394 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m4p h ALA 394 CO 0.01 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.87 3m4p n ASN 395 N -4.23 1.32 -3.80 0.00 3.02 -0.70 -4.95 115.26 105.92 3m4p n ASN 395 Ca 0.02 -1.74 -0.27 0.00 -0.03 0.00 0.00 54.58 52.55 3m4p n ASN 395 Cb 0.29 -0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.40 3m4p n ASN 395 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m4p n GLY 396 N 1.01 -0.49 3.45 7.41 0.00 -0.72 -5.00 105.19 110.85 3m4p n GLY 396 Ca 0.14 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 3m4p n GLY 396 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4p s LEU 397 N -7.23 2.95 -0.20 0.99 1.43 -0.14 -5.04 118.68 111.43 3m4p s LEU 397 Ca 0.58 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.18 3m4p s LEU 397 Cb -0.28 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3m4p s LEU 397 CO 0.80 0.22 1.47 0.21 0.23 0.00 0.00 176.35 179.27 3m4p s ASN 398 N 0.07 6.61 0.00 2.29 2.47 -1.26 -4.52 114.94 120.59 3m4p s ASN 398 Ca -0.03 1.62 0.27 0.00 0.42 0.00 0.00 52.86 55.14 3m4p s ASN 398 Cb -0.14 -2.54 0.92 0.00 -1.45 0.00 0.00 41.25 38.04 3m4p s ASN 398 CO 0.04 -1.06 1.70 -0.81 -3.72 0.00 0.00 177.10 173.25 3m4p n PRO 399 N 7.28 0.00 -0.28 0.43 -0.04 -1.26 -4.29 135.00 136.83 3m4p n PRO 399 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3m4p n PRO 399 Cb 0.45 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.55 3m4p n PRO 399 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3m4p h ASP 400 N 0.00 1.03 0.02 3.54 5.19 -2.02 -1.71 116.42 122.46 3m4p h ASP 400 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3m4p h ASP 400 Cb 0.50 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3m4p h ASP 400 CO 0.00 0.83 0.00 -2.65 -3.12 0.00 0.00 179.24 174.30 3m4p n PRO 401 N -4.34 0.66 -0.69 3.56 -0.02 -1.26 -3.02 135.00 129.88 3m4p n PRO 401 Ca 0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3m4p n PRO 401 Cb 0.10 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.29 3m4p n PRO 401 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3m4p n TYR 402 N -1.01 0.78 -0.29 6.00 4.01 -0.64 -4.76 117.16 121.23 3m4p n TYR 402 Ca 0.16 -1.49 0.08 0.00 -0.16 0.00 0.00 57.90 56.49 3m4p n TYR 402 Cb 0.08 -0.41 0.24 0.00 -0.31 0.00 0.00 39.34 38.94 3m4p n TYR 402 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3m4p h TYR 403 N 1.01 0.71 0.00 -0.72 -0.00 -1.62 0.28 116.97 116.63 3m4p h TYR 403 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.91 3m4p h TYR 403 Cb 1.46 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 38.01 3m4p h TYR 403 CO 0.88 0.12 0.00 0.11 -0.00 0.00 0.00 178.16 179.26 3m4p h TRP 404 N 0.55 0.00 0.00 0.10 5.08 -1.90 -1.20 115.95 118.58 3m4p h TRP 404 Ca 0.48 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 60.23 3m4p h TRP 404 Cb 0.74 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.87 3m4p h TRP 404 CO -0.11 0.00 -1.31 0.98 -1.28 0.00 0.00 178.44 176.72 3m4p n TYR 405 N -2.66 0.82 -0.34 0.12 9.36 0.01 -4.29 117.16 120.19 3m4p n TYR 405 Ca 0.02 0.35 0.09 0.00 3.32 0.00 0.00 57.90 61.68 3m4p n TYR 405 Cb 0.30 -1.00 0.29 0.00 -0.63 0.00 0.00 39.34 38.29 3m4p n TYR 405 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3m4p h THR 406 N -1.00 0.86 0.00 2.97 2.02 -0.50 -2.06 112.91 115.20 3m4p h THR 406 Ca -0.33 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3m4p h THR 406 Cb 1.19 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3m4p h THR 406 CO -0.20 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.85 3m4p n GLN 407 N -4.62 0.09 0.13 6.66 6.02 -0.46 -1.85 117.38 123.35 3m4p n GLN 407 Ca 0.19 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.49 3m4p n GLN 407 Cb 0.42 -1.66 0.47 0.00 1.02 0.00 0.00 30.24 30.49 3m4p n GLN 407 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3m4p h GLN 408 N 0.00 0.24 0.00 -1.09 1.08 -1.55 -1.41 115.11 112.37 3m4p h GLN 408 Ca 0.00 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 3m4p h GLN 408 Cb 0.38 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3m4p h GLN 408 CO 0.00 0.27 -0.67 0.00 -0.95 0.00 0.00 178.83 177.48 3m4p h ARG 409 N 0.24 0.00 -0.04 1.46 -0.00 -1.53 -3.21 114.38 111.30 3m4p h ARG 409 Ca 0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.46 3m4p h ARG 409 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.15 3m4p h ARG 409 CO 0.00 0.67 -0.27 -0.22 0.00 0.00 0.00 179.97 180.15 3m4p h LYS 410 N 0.00 0.25 -3.58 0.04 3.64 -1.40 -3.38 116.57 112.15 3m4p h LYS 410 Ca -0.01 -0.22 -0.71 0.00 -1.27 0.00 0.00 60.65 58.44 3m4p h LYS 410 Cb 1.43 0.05 -0.34 0.00 -0.41 0.00 0.00 32.23 32.96 3m4p h LYS 410 CO 0.09 0.89 -0.29 0.71 -2.27 0.00 0.00 179.45 178.58 3m4p s TYR 411 N -3.47 3.46 -0.40 1.91 2.02 -0.60 -4.74 117.35 115.53 3m4p s TYR 411 Ca -0.15 -2.65 -0.01 0.00 -0.37 0.00 0.00 57.07 53.89 3m4p s TYR 411 Cb 0.02 -3.28 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 3m4p s TYR 411 CO 0.76 -0.85 0.34 0.41 -1.57 0.00 0.00 175.55 174.63 3m4p n GLY 412 N 3.46 0.17 3.73 0.71 0.00 -1.26 -4.86 105.19 107.14 3m4p n GLY 412 Ca 0.10 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3m4p n GLY 412 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m4p s SER 413 N -3.31 7.09 0.17 1.61 0.15 -1.21 -4.96 113.70 113.24 3m4p s SER 413 Ca 0.08 2.18 0.09 0.00 0.70 0.00 0.00 55.95 59.01 3m4p s SER 413 Cb -0.01 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3m4p s SER 413 CO 0.26 -0.39 -0.14 0.00 1.20 0.00 0.00 173.24 174.17 3m4p s PRO 415 N -2.65 4.37 0.14 0.00 0.04 -1.26 -4.82 135.00 130.81 3m4p s PRO 415 Ca 0.23 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 3m4p s PRO 415 Cb -0.09 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3m4p s PRO 415 CO 0.13 -0.34 0.30 -3.38 0.04 0.00 0.00 177.00 173.75 3m4p s HIS 416 N 0.88 0.18 0.22 0.56 -3.43 -1.26 -0.46 115.29 111.98 3m4p s HIS 416 Ca 0.61 -0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 54.14 3m4p s HIS 416 Cb -0.34 0.04 0.02 0.00 -1.43 0.00 0.00 32.58 30.87 3m4p s HIS 416 CO 0.31 -0.69 0.55 0.20 -2.00 0.00 0.00 174.74 173.11 3m4p s GLY 417 N -2.90 0.03 0.09 -1.38 0.00 -0.86 -1.48 107.32 100.81 3m4p s GLY 417 Ca 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.35 3m4p s GLY 417 CO -0.05 -0.30 0.56 0.61 0.00 0.00 0.00 173.10 173.92 3m4p n GLY 418 N -0.37 0.87 3.66 0.20 0.00 -0.80 -0.63 105.19 108.13 3m4p n GLY 418 Ca -0.07 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 3m4p n GLY 418 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m4p s TYR 419 N -3.78 -0.06 0.00 1.61 -0.85 -0.52 -1.78 117.35 111.96 3m4p s TYR 419 Ca 0.13 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.37 3m4p s TYR 419 Cb -0.01 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.80 3m4p s TYR 419 CO 0.03 -1.06 -0.06 0.20 -1.52 0.00 0.00 175.55 173.14 3m4p s GLY 420 N -2.92 0.33 -0.02 5.49 0.00 -0.43 -2.04 107.32 107.74 3m4p s GLY 420 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.55 3m4p s GLY 420 CO 0.03 -0.31 -0.14 -2.27 0.00 0.00 0.00 173.10 170.40 3m4p s LEU 421 N -0.38 1.99 -0.61 0.66 0.20 0.30 -1.72 118.68 119.13 3m4p s LEU 421 Ca 0.00 -0.27 -0.22 0.00 0.69 0.00 0.00 54.13 54.34 3m4p s LEU 421 Cb -0.04 -0.76 0.07 0.00 -0.43 0.00 0.00 46.19 45.03 3m4p s LEU 421 CO -0.00 0.16 0.88 -0.83 -0.29 0.00 0.00 176.35 176.27 3m4p s GLY 422 N -0.24 1.49 0.16 7.98 0.00 -1.03 -0.89 107.32 114.79 3m4p s GLY 422 Ca 0.03 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 3m4p s GLY 422 CO -0.00 1.91 1.80 -2.08 0.00 0.00 0.00 173.10 174.73 3m4p h VAL 423 N 5.96 1.05 -0.51 1.40 2.07 -1.84 -1.59 116.25 122.78 3m4p h VAL 423 Ca -0.28 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3m4p h VAL 423 Cb 1.08 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3m4p h VAL 423 CO 1.12 0.09 -0.00 1.05 0.02 0.00 0.00 177.57 179.85 3m4p h GLU 424 N 0.50 0.87 -0.46 1.57 9.09 -1.92 -1.50 114.58 122.73 3m4p h GLU 424 Ca 0.16 -0.25 -0.04 0.00 0.05 0.00 0.00 59.36 59.28 3m4p h GLU 424 Cb 0.00 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 26.99 3m4p h GLU 424 CO -0.07 0.87 0.10 0.00 0.05 0.00 0.00 179.01 179.95 3m4p h ARG 425 N 0.80 0.69 -0.37 1.06 3.08 -1.84 0.03 114.38 117.83 3m4p h ARG 425 Ca 0.15 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3m4p h ARG 425 Cb 0.49 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3m4p h ARG 425 CO 0.02 0.64 -0.17 1.25 -1.07 0.00 0.00 179.97 180.64 3m4p h LEU 426 N 0.67 0.80 0.30 3.04 5.85 -0.90 -1.93 115.31 123.14 3m4p h LEU 426 Ca 0.15 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3m4p h LEU 426 Cb 0.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3m4p h LEU 426 CO -0.00 1.02 -0.15 0.58 -0.34 0.00 0.00 178.44 179.55 3m4p h VAL 427 N 0.58 0.69 -0.88 1.05 2.07 -0.96 -0.91 116.25 117.89 3m4p h VAL 427 Ca 0.08 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.80 3m4p h VAL 427 Cb 0.72 0.69 -0.12 0.00 -1.52 0.00 0.00 31.29 31.07 3m4p h VAL 427 CO 0.05 0.00 0.39 -0.03 0.02 0.00 0.00 177.57 178.00 3m4p h MET 428 N -0.41 0.43 0.80 1.57 1.85 -0.97 0.12 114.93 118.31 3m4p h MET 428 Ca -0.04 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 3m4p h MET 428 Cb 0.32 -0.10 0.01 0.00 0.43 0.00 0.00 31.60 32.26 3m4p h MET 428 CO 0.06 0.28 -0.38 2.35 -0.40 0.00 0.00 176.91 178.83 3m4p h TRP 429 N 0.44 -0.99 -0.87 1.39 7.01 -1.06 -1.29 115.95 120.58 3m4p h TRP 429 Ca 0.53 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.51 3m4p h TRP 429 Cb 0.95 0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 28.29 3m4p h TRP 429 CO -0.13 -0.61 0.57 1.25 -2.79 0.00 0.00 178.44 176.73 3m4p h LEU 430 N -1.16 1.01 -1.49 0.65 5.85 0.26 -1.83 115.31 118.60 3m4p h LEU 430 Ca -0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3m4p h LEU 430 Cb 0.83 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3m4p h LEU 430 CO 0.18 0.74 0.00 0.18 -0.34 0.00 0.00 178.44 179.20 3m4p n LEU 431 N -4.47 2.20 -3.20 2.25 4.77 0.26 -4.78 117.00 114.03 3m4p n LEU 431 Ca 0.09 -1.01 -0.23 0.00 -0.03 0.00 0.00 56.01 54.83 3m4p n LEU 431 Cb 0.02 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3m4p n LEU 431 CO 0.37 0.51 0.04 0.61 -1.33 0.00 0.00 177.39 177.59 3m4p n GLY 432 N 1.21 -0.52 3.87 -0.72 0.00 -0.69 -4.31 105.19 104.02 3m4p n GLY 432 Ca 0.16 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 3m4p n GLY 432 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4p s GLU 433 N -5.89 3.64 -0.00 1.61 2.56 -0.53 -4.92 118.70 115.17 3m4p s GLU 433 Ca 0.38 0.74 0.11 0.00 0.00 0.00 0.00 54.97 56.20 3m4p s GLU 433 Cb -0.17 -2.11 -0.13 0.00 2.00 0.00 0.00 34.13 33.72 3m4p s GLU 433 CO 0.47 -0.51 0.46 -0.40 -0.56 0.00 0.00 175.26 174.73 3m4p n ASP 434 N -2.56 0.66 -3.78 -1.70 5.75 -1.26 -4.74 116.55 108.92 3m4p n ASP 434 Ca 0.06 -0.71 -0.13 0.00 -0.01 0.00 0.00 54.79 53.99 3m4p n ASP 434 Cb 0.54 1.04 -0.14 0.00 -1.03 0.00 0.00 41.12 41.53 3m4p n ASP 434 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3m4p s HIS 435 N -2.11 -0.12 0.54 2.11 3.76 -1.26 -5.05 115.29 113.16 3m4p s HIS 435 Ca 0.04 0.37 0.22 0.00 -0.15 0.00 0.00 55.06 55.53 3m4p s HIS 435 Cb 0.08 -0.07 1.48 0.00 1.11 0.00 0.00 32.58 35.18 3m4p s HIS 435 CO 0.46 -0.12 2.17 0.97 -0.85 0.00 0.00 174.74 177.37 3m4p h ILE 436 N 5.79 0.80 -0.03 0.60 2.10 -1.94 -1.77 117.51 123.06 3m4p h ILE 436 Ca -0.38 -0.08 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 3m4p h ILE 436 Cb 1.16 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.93 3m4p h ILE 436 CO 0.44 0.02 -0.13 0.08 -1.08 0.00 0.00 178.15 177.48 3m4p h ARG 437 N 0.00 0.04 0.00 2.19 0.11 -1.96 -2.24 114.38 112.52 3m4p h ARG 437 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3m4p h ARG 437 Cb 0.05 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3m4p h ARG 437 CO 0.00 0.18 0.00 1.63 0.10 0.00 0.00 179.97 181.89 3m4p n LYS 438 N -4.36 0.10 -0.08 0.08 5.02 -0.66 -2.59 118.16 115.68 3m4p n LYS 438 Ca -0.02 0.20 0.06 0.00 -2.02 0.00 0.00 58.31 56.54 3m4p n LYS 438 Cb 0.22 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.83 3m4p n LYS 438 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m4p n VAL 439 N -1.39 0.38 -3.91 -0.18 0.31 -0.84 -4.94 118.33 107.75 3m4p n VAL 439 Ca 0.05 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 3m4p n VAL 439 Cb 0.14 0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 34.00 3m4p n VAL 439 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m4p h LEU 441 N 1.35 -0.01 -6.85 0.00 5.85 -1.94 -3.44 115.31 110.27 3m4p h LEU 441 Ca -0.44 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.67 3m4p h LEU 441 Cb 1.25 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.89 3m4p h LEU 441 CO 0.60 0.09 -0.77 -0.31 -0.34 0.00 0.00 178.44 177.71 3m4p s TYR 442 N -1.20 1.81 0.73 1.25 4.12 -1.26 -4.92 117.35 117.88 3m4p s TYR 442 Ca -0.00 -2.37 -0.13 0.00 0.02 0.00 0.00 57.07 54.58 3m4p s TYR 442 Cb 0.00 -1.68 0.04 0.00 -1.52 0.00 0.00 41.96 38.80 3m4p s TYR 442 CO 0.00 -0.77 1.13 -1.25 0.02 0.00 0.00 175.55 174.68 3m4p s PRO 443 N 0.25 2.35 -0.12 -1.71 0.04 -1.26 -4.94 135.00 129.62 3m4p s PRO 443 Ca 0.20 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.67 3m4p s PRO 443 Cb -0.18 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3m4p s PRO 443 CO -0.04 -1.60 -0.14 1.03 0.04 0.00 0.00 177.00 176.29 3m4p s ARG 444 N -4.32 3.27 0.31 4.56 1.81 -1.26 -4.71 118.95 118.61 3m4p s ARG 444 Ca 0.67 -0.70 -0.17 0.00 -1.72 0.00 0.00 55.73 53.81 3m4p s ARG 444 Cb -0.22 -2.58 0.06 0.00 -0.45 0.00 0.00 34.95 31.77 3m4p s ARG 444 CO 0.47 0.25 0.84 2.48 -0.68 0.00 0.00 175.30 178.67 3m4p n TYR 445 N 3.40 -1.96 -1.74 -0.53 0.18 -1.13 -0.30 117.16 115.09 3m4p n TYR 445 Ca -0.18 -1.58 -0.67 0.00 1.88 0.00 0.00 57.90 57.35 3m4p n TYR 445 Cb 0.53 0.78 -0.10 0.00 -0.38 0.00 0.00 39.34 40.17 3m4p n TYR 445 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 3m4p n LEU 446 N 0.00 1.33 -1.09 -3.48 7.94 -1.26 -0.66 117.00 119.78 3m4p n LEU 446 Ca -0.06 1.17 -0.14 0.00 -1.11 0.00 0.00 56.01 55.86 3m4p n LEU 446 Cb 0.57 -0.91 -0.06 0.00 0.53 0.00 0.00 43.42 43.55 3m4p n LEU 446 CO 0.24 -0.79 -0.14 -0.62 -1.11 0.00 0.00 177.39 174.97 3m4p n GLU 447 N 4.21 -1.35 -3.79 1.96 1.02 -1.26 -4.95 120.64 116.48 3m4p n GLU 447 Ca 0.31 0.99 -0.30 0.00 -0.02 0.00 0.00 57.16 58.14 3m4p n GLU 447 Cb -0.04 -5.26 -0.15 0.00 -0.02 0.00 0.00 31.44 25.98 3m4p n GLU 447 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3m4p s ARG 448 N -3.15 1.01 0.00 3.49 6.06 0.17 -4.93 118.95 121.60 3m4p s ARG 448 Ca 0.00 -1.47 0.00 0.00 -2.50 0.00 0.00 55.73 51.76 3m4p s ARG 448 Cb 0.00 -2.33 0.00 0.00 0.06 0.00 0.00 34.95 32.68 3m4p s ARG 448 CO 0.00 -1.02 0.78 0.00 -2.50 0.00 0.00 175.30 172.56 3m4p s GLU 450 N -0.58 1.35 0.00 0.00 2.02 -1.26 -5.10 118.70 115.13 3m4p s GLU 450 Ca 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3m4p s GLU 450 Cb 0.00 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.89 3m4p s GLU 450 CO 0.00 0.26 0.42 -2.30 0.02 0.00 0.00 175.26 173.66