#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 3.01 -0.26 1.09 0.04 -1.26 -4.93 135.00 132.70 3m4p s PRO 12 Ca 0.00 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 3m4p s PRO 12 Cb 0.00 -4.26 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 3m4p s PRO 12 CO 0.00 -2.27 1.27 0.42 0.04 0.00 0.00 177.00 176.46 3m4p s ILE 13 N 7.67 4.22 0.39 0.56 1.01 -1.26 -4.98 121.20 128.81 3m4p s ILE 13 Ca 0.67 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 62.48 3m4p s ILE 13 Cb -0.15 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3m4p s ILE 13 CO 0.26 -0.36 1.17 -0.69 0.00 0.00 0.00 174.94 175.31 3m4p s VAL 14 N 4.03 3.17 -0.29 2.92 1.01 -1.26 -4.97 120.40 125.01 3m4p s VAL 14 Ca 0.55 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 3m4p s VAL 14 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3m4p s VAL 14 CO 0.19 0.10 0.42 0.00 0.00 0.00 0.00 175.10 175.82 3m4p s ASN 16 N 1.66 6.43 0.27 0.00 0.01 -1.26 -0.58 114.94 121.47 3m4p s ASN 16 Ca 0.16 0.52 -0.04 0.00 -0.71 0.00 0.00 52.86 52.79 3m4p s ASN 16 Cb -0.16 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3m4p s ASN 16 CO 0.11 -1.41 0.35 0.27 -1.51 0.00 0.00 177.10 174.90 3m4p s ILE 17 N 5.10 0.00 0.55 0.60 -4.36 -1.12 -5.00 121.20 116.97 3m4p s ILE 17 Ca 0.53 -1.72 0.08 0.00 -0.26 0.00 0.00 60.65 59.29 3m4p s ILE 17 Cb -0.10 -2.46 0.08 0.00 1.25 0.00 0.00 42.46 41.24 3m4p s ILE 17 CO 0.30 0.00 0.70 -2.11 0.24 0.00 0.00 174.94 174.08 3m4p n ARG 18 N -0.43 0.64 0.06 0.37 1.85 -1.26 -4.54 116.66 113.35 3m4p n ARG 18 Ca 0.01 -3.05 -0.18 0.00 -1.00 0.00 0.00 57.85 53.64 3m4p n ARG 18 Cb 0.63 -0.13 -0.09 0.00 -1.05 0.00 0.00 32.46 31.83 3m4p n ARG 18 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3m4p h ASP 19 N 0.19 0.76 -0.34 2.89 5.19 -1.90 -3.15 116.42 120.07 3m4p h ASP 19 Ca -0.27 -0.62 0.01 0.00 -0.62 0.00 0.00 57.03 55.52 3m4p h ASP 19 Cb 1.20 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 3m4p h ASP 19 CO 0.40 1.43 0.22 0.00 -3.12 0.00 0.00 179.24 178.17 3m4p h ALA 20 N 0.52 1.80 0.00 3.45 0.00 -1.93 -2.07 119.26 121.03 3m4p h ALA 20 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3m4p h ALA 20 Cb 1.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3m4p h ALA 20 CO 0.19 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3m4p n ALA 21 N -2.49 2.54 -2.39 0.00 0.00 -1.19 -4.81 120.51 112.17 3m4p n ALA 21 Ca 0.02 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 3m4p n ALA 21 Cb 0.09 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 3m4p n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m4p s GLY 22 N -1.89 1.43 -0.42 0.00 0.00 -0.78 -4.85 107.32 100.81 3m4p s GLY 22 Ca 0.37 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.35 3m4p s GLY 22 CO 0.29 2.61 1.09 1.04 0.00 0.00 0.00 173.10 178.13 3m4p n LEU 23 N 7.47 -2.13 -4.00 0.66 4.32 -1.26 -4.98 117.00 117.09 3m4p n LEU 23 Ca 0.15 -2.74 -0.09 0.00 -0.02 0.00 0.00 56.01 53.31 3m4p n LEU 23 Cb 0.46 0.79 -0.06 0.00 -1.62 0.00 0.00 43.42 42.99 3m4p n LEU 23 CO 0.62 1.84 0.11 -1.61 -1.22 0.00 0.00 177.39 177.12 3m4p s GLU 24 N 0.37 1.45 -0.40 3.23 2.02 -1.26 -5.05 118.70 119.06 3m4p s GLU 24 Ca 0.27 -1.26 0.06 0.00 0.02 0.00 0.00 54.97 54.06 3m4p s GLU 24 Cb 0.24 0.44 0.43 0.00 0.10 0.00 0.00 34.13 35.34 3m4p s GLU 24 CO -0.16 -0.58 1.12 0.41 0.02 0.00 0.00 175.26 176.07 3m4p n GLY 25 N -0.34 5.92 3.57 -1.39 0.00 -1.26 -4.80 105.19 106.88 3m4p n GLY 25 Ca -0.02 -2.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.04 3m4p n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4p s LYS 26 N -3.54 1.95 0.32 1.61 1.02 -1.26 -4.85 119.74 114.99 3m4p s LYS 26 Ca 0.48 -2.19 -0.29 0.00 0.02 0.00 0.00 55.97 53.99 3m4p s LYS 26 Cb 0.40 -0.90 -0.10 0.00 -0.52 0.00 0.00 37.83 36.71 3m4p s LYS 26 CO -0.13 -0.39 1.22 -0.51 -0.92 0.00 0.00 175.35 174.61 3m4p s LEU 27 N -3.65 4.45 -0.08 3.17 1.43 -1.26 -2.22 118.68 120.52 3m4p s LEU 27 Ca 0.22 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 3m4p s LEU 27 Cb 0.04 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3m4p s LEU 27 CO 0.12 -0.40 0.31 -0.69 0.23 0.00 0.00 176.35 175.92 3m4p s VAL 28 N -1.17 0.02 -0.13 -1.59 1.01 -0.20 -3.13 120.40 115.20 3m4p s VAL 28 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3m4p s VAL 28 Cb -0.36 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 3m4p s VAL 28 CO 0.47 -0.11 -0.14 -0.89 0.00 0.00 0.00 175.10 174.43 3m4p s THR 29 N -0.44 2.93 0.11 3.92 2.01 0.25 -0.66 115.64 123.76 3m4p s THR 29 Ca -0.06 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.30 3m4p s THR 29 Cb -0.04 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3m4p s THR 29 CO 0.02 0.52 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.11 3m4p s PHE 30 N 0.44 2.95 -0.08 4.92 0.08 0.39 -2.81 117.98 123.86 3m4p s PHE 30 Ca -0.10 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 56.93 3m4p s PHE 30 Cb -0.16 -1.49 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3m4p s PHE 30 CO 0.05 0.48 -0.22 0.15 -0.10 0.00 0.00 175.22 175.59 3m4p s LYS 31 N -2.47 2.65 0.00 0.44 1.02 -1.26 -1.35 119.74 118.77 3m4p s LYS 31 Ca 0.26 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3m4p s LYS 31 Cb -0.11 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3m4p s LYS 31 CO 0.18 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 3m4p n GLY 32 N 3.44 -0.57 3.43 -3.33 0.00 -0.74 -4.60 105.19 102.82 3m4p n GLY 32 Ca -0.19 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.00 2.28 -1.19 1.61 0.51 0.52 0.76 118.94 120.43 3m4p s TRP 33 Ca 0.00 -0.36 -0.14 0.00 -2.12 0.00 0.00 56.10 53.48 3m4p s TRP 33 Cb 0.00 -1.11 0.17 0.00 -0.81 0.00 0.00 33.47 31.72 3m4p s TRP 33 CO 0.00 0.53 1.41 0.00 -0.51 0.00 0.00 176.95 178.38 3m4p s ALA 34 N -1.82 3.97 0.14 0.98 0.00 -0.14 -0.87 121.76 124.01 3m4p s ALA 34 Ca 0.22 -3.33 -0.25 0.00 0.00 0.00 0.00 51.96 48.60 3m4p s ALA 34 Cb -0.07 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 18.92 3m4p s ALA 34 CO 0.11 -2.78 1.61 -0.92 0.00 0.00 0.00 175.76 173.78 3m4p h TYR 35 N 7.25 -0.84 -3.74 0.00 3.20 -1.58 0.21 116.97 121.46 3m4p h TYR 35 Ca 0.31 0.04 -0.22 0.00 3.14 0.00 0.00 58.73 62.00 3m4p h TYR 35 Cb 0.88 0.39 -0.27 0.00 1.54 0.00 0.00 36.73 39.27 3m4p h TYR 35 CO 1.10 -0.38 -0.70 -1.58 -1.64 0.00 0.00 178.16 174.96 3m4p s HIS 36 N -6.02 0.03 -0.09 -3.82 2.46 -1.24 -4.51 115.29 102.10 3m4p s HIS 36 Ca -0.15 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.33 3m4p s HIS 36 Cb 0.11 -0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.55 3m4p s HIS 36 CO 0.66 -0.03 -0.08 0.42 -2.47 0.00 0.00 174.74 173.24 3m4p s ILE 37 N -0.21 0.96 -0.30 0.89 1.01 -1.26 -1.18 121.20 121.10 3m4p s ILE 37 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 3m4p s ILE 37 Cb -0.02 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.50 3m4p s ILE 37 CO -0.00 0.35 0.09 -0.60 0.00 0.00 0.00 174.94 174.77 3m4p s ARG 38 N 1.44 3.04 -1.21 2.79 3.52 -0.17 -5.00 118.95 123.36 3m4p s ARG 38 Ca -0.01 -0.89 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 3m4p s ARG 38 Cb -0.13 -3.40 0.19 0.00 -1.56 0.00 0.00 34.95 30.05 3m4p s ARG 38 CO -0.05 -0.47 2.18 1.63 -0.81 0.00 0.00 175.30 177.78 3m4p n LYS 39 N 4.87 4.89 -0.33 5.12 5.02 -1.26 -0.17 118.16 136.31 3m4p n LYS 39 Ca -0.14 -3.90 0.18 0.00 -2.02 0.00 0.00 58.31 52.43 3m4p n LYS 39 Cb 0.48 -2.57 0.39 0.00 -0.02 0.00 0.00 35.03 33.30 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 4.43 1.69 -2.26 7.82 0.00 -1.92 -3.41 119.26 125.61 3m4p h ALA 40 Ca 0.64 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.57 3m4p h ALA 40 Cb 0.31 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 3m4p h ALA 40 CO 1.36 -0.43 -0.68 0.50 0.00 0.00 0.00 179.25 180.01 3m4p s ARG 41 N -5.79 0.72 0.40 0.00 6.06 -0.92 -5.01 118.95 114.42 3m4p s ARG 41 Ca -0.11 -1.29 0.12 0.00 -2.50 0.00 0.00 55.73 51.96 3m4p s ARG 41 Cb 0.28 0.10 0.94 0.00 0.06 0.00 0.00 34.95 36.33 3m4p s ARG 41 CO 0.79 -0.11 1.92 0.87 -2.50 0.00 0.00 175.30 176.27 3m4p h LYS 42 N 3.05 0.52 -0.42 5.12 1.57 -2.00 -2.63 116.57 121.78 3m4p h LYS 42 Ca -0.35 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3m4p h LYS 42 Cb 1.16 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3m4p h LYS 42 CO 0.65 0.35 0.00 -2.37 -0.57 0.00 0.00 179.45 177.50 3m4p n THR 43 N -4.50 1.45 -3.59 -0.16 5.66 -1.26 -4.91 114.28 106.97 3m4p n THR 43 Ca 0.14 -1.24 -0.14 0.00 -3.05 0.00 0.00 64.05 59.76 3m4p n THR 43 Cb 0.44 0.26 -0.13 0.00 -1.55 0.00 0.00 70.33 69.36 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 -1.57 -0.28 -0.10 1.09 2.96 -0.99 -3.68 118.68 116.10 3m4p s LEU 44 Ca 0.35 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3m4p s LEU 44 Cb 0.22 0.64 0.02 0.00 0.50 0.00 0.00 46.19 47.58 3m4p s LEU 44 CO 0.18 -0.27 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.24 3m4p s ILE 45 N 2.40 0.93 -0.17 6.68 1.01 -0.91 -2.17 121.20 128.97 3m4p s ILE 45 Ca 0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 3m4p s ILE 45 Cb -0.13 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3m4p s ILE 45 CO -0.10 0.35 0.40 -0.36 0.00 0.00 0.00 174.94 175.23 3m4p s PHE 46 N 1.67 3.42 -0.14 3.97 0.08 0.76 -1.43 117.98 126.32 3m4p s PHE 46 Ca 0.03 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.77 3m4p s PHE 46 Cb -0.13 -2.50 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 3m4p s PHE 46 CO -0.07 0.08 -0.15 0.08 -0.10 0.00 0.00 175.22 175.06 3m4p s VAL 47 N 0.98 1.59 -0.61 -0.44 1.01 -0.16 -1.00 120.40 121.77 3m4p s VAL 47 Ca 0.20 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 3m4p s VAL 47 Cb -0.14 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.85 3m4p s VAL 47 CO 0.08 0.46 0.78 -1.61 0.00 0.00 0.00 175.10 174.81 3m4p s GLU 48 N 1.29 3.07 0.14 2.72 0.41 -0.33 -0.10 118.70 125.90 3m4p s GLU 48 Ca 0.01 -1.20 -0.26 0.00 -0.41 0.00 0.00 54.97 53.11 3m4p s GLU 48 Cb -0.14 -4.26 -0.07 0.00 -1.78 0.00 0.00 34.13 27.88 3m4p s GLU 48 CO -0.08 -1.62 0.81 -1.17 -0.49 0.00 0.00 175.26 172.72 3m4p s LEU 49 N 3.05 4.55 -0.08 1.80 2.96 0.07 -1.46 118.68 129.58 3m4p s LEU 49 Ca 0.14 1.65 0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3m4p s LEU 49 Cb -0.22 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3m4p s LEU 49 CO 0.07 0.12 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.44 3m4p s ARG 50 N -0.74 2.77 0.00 1.98 3.52 -0.05 -1.64 118.95 124.79 3m4p s ARG 50 Ca 0.38 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3m4p s ARG 50 Cb -0.23 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 3m4p s ARG 50 CO 0.27 0.40 0.54 -0.40 -0.81 0.00 0.00 175.30 175.30 3m4p n ASP 51 N 2.92 0.67 0.00 -2.12 5.75 -1.10 -0.35 116.55 122.32 3m4p n ASP 51 Ca -0.18 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3m4p n ASP 51 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3m4p n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m4p n GLY 52 N -0.13 2.93 0.14 6.12 0.00 -1.26 -4.78 105.19 108.20 3m4p n GLY 52 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3m4p n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m4p h SER 53 N 0.00 0.59 0.00 1.61 0.02 -1.98 -3.50 113.55 110.28 3m4p h SER 53 Ca 0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 3m4p h SER 53 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3m4p h SER 53 CO 0.00 1.72 0.00 0.61 -1.14 0.00 0.00 176.83 178.02 3m4p n GLY 54 N 1.81 1.61 3.38 -3.77 0.00 -1.26 -4.48 105.19 102.48 3m4p n GLY 54 Ca -0.23 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.49 1.74 -0.23 1.61 2.02 -0.64 -2.71 117.35 117.65 3m4p s TYR 55 Ca 0.00 -0.88 -0.20 0.00 -0.37 0.00 0.00 57.07 55.62 3m4p s TYR 55 Cb 0.00 -1.03 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 3m4p s TYR 55 CO 0.00 0.05 0.61 0.00 -1.57 0.00 0.00 175.55 174.63 3m4p s GLN 57 N 0.45 4.08 -0.25 0.00 0.74 -1.26 -0.75 119.66 122.67 3m4p s GLN 57 Ca -0.01 0.67 -0.04 0.00 0.05 0.00 0.00 55.36 56.03 3m4p s GLN 57 Cb -0.04 -3.67 0.01 0.00 1.10 0.00 0.00 33.01 30.40 3m4p s GLN 57 CO -0.01 -0.52 -0.00 0.00 -0.55 0.00 0.00 175.29 174.20 3m4p s VAL 59 N 1.44 5.18 -0.29 0.00 -7.23 -0.40 -0.98 120.40 118.12 3m4p s VAL 59 Ca 0.03 0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 61.02 3m4p s VAL 59 Cb -0.16 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.01 3m4p s VAL 59 CO -0.01 0.29 0.05 -0.63 -0.31 0.00 0.00 175.10 174.49 3m4p s ILE 60 N 0.95 3.69 -0.01 -0.62 1.01 -0.51 -2.08 121.20 123.62 3m4p s ILE 60 Ca 0.23 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3m4p s ILE 60 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3m4p s ILE 60 CO 0.09 0.05 -0.15 0.12 0.00 0.00 0.00 174.94 175.05 3m4p s PHE 61 N 1.44 1.31 0.00 3.97 5.36 -1.26 -2.14 117.98 126.65 3m4p s PHE 61 Ca 0.01 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 3m4p s PHE 61 Cb -0.18 -0.84 0.00 0.00 -0.34 0.00 0.00 43.02 41.66 3m4p s PHE 61 CO 0.01 -0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 3m4p n GLY 62 N 2.71 3.86 0.26 13.12 0.00 -1.24 -4.72 105.19 119.17 3m4p n GLY 62 Ca -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.45 0.15 1.61 1.79 -1.93 -2.88 116.57 115.77 3m4p h LYS 63 Ca 0.00 -0.10 -0.29 0.00 -2.18 0.00 0.00 60.65 58.07 3m4p h LYS 63 Cb 0.00 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3m4p h LYS 63 CO 0.00 0.53 -1.29 1.05 -1.08 0.00 0.00 179.45 178.66 3m4p h GLU 64 N 0.43 0.40 0.00 3.15 9.09 -1.99 -3.30 114.58 122.36 3m4p h GLU 64 Ca 0.09 -0.64 -0.04 0.00 0.05 0.00 0.00 59.36 58.82 3m4p h GLU 64 Cb 0.37 0.23 -0.01 0.00 -1.65 0.00 0.00 28.75 27.69 3m4p h GLU 64 CO 0.02 1.29 -0.21 -0.07 0.05 0.00 0.00 179.01 180.09 3m4p h LEU 65 N 0.13 0.00 -5.95 3.06 3.38 -1.83 -3.34 115.31 110.77 3m4p h LEU 65 Ca -0.17 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.12 3m4p h LEU 65 Cb 1.99 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 42.38 3m4p h LEU 65 CO 0.23 0.21 -0.03 0.00 0.09 0.00 0.00 178.44 178.94 3m4p s GLU 67 N -3.37 4.32 0.36 0.00 2.02 -1.26 -4.91 118.70 115.86 3m4p s GLU 67 Ca 0.42 2.04 0.11 0.00 0.02 0.00 0.00 54.97 57.56 3m4p s GLU 67 Cb 0.20 -3.32 0.88 0.00 0.10 0.00 0.00 34.13 31.99 3m4p s GLU 67 CO -0.07 -0.45 1.82 -1.35 0.02 0.00 0.00 175.26 175.23 3m4p h PRO 68 N 7.01 0.61 0.00 0.39 0.11 -1.94 0.25 132.00 138.43 3m4p h PRO 68 Ca -0.41 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3m4p h PRO 68 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3m4p h PRO 68 CO 0.87 0.40 -0.88 0.93 -0.21 0.00 0.00 178.00 179.11 3m4p h GLU 69 N 0.62 0.00 0.23 1.05 4.39 -2.00 -2.22 114.58 116.66 3m4p h GLU 69 Ca 0.51 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.89 3m4p h GLU 69 Cb 0.97 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.65 3m4p h GLU 69 CO -0.27 0.88 -1.47 -0.22 -1.16 0.00 0.00 179.01 176.78 3m4p h LYS 70 N 0.00 0.49 0.00 2.33 3.64 -1.78 -3.32 116.57 117.93 3m4p h LYS 70 Ca -0.01 -0.83 -0.09 0.00 -1.27 0.00 0.00 60.65 58.44 3m4p h LYS 70 Cb 1.56 0.31 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 3m4p h LYS 70 CO 0.11 1.40 -0.44 0.28 -2.27 0.00 0.00 179.45 178.53 3m4p h VAL 71 N 0.08 1.29 -1.01 2.00 2.07 -0.62 -2.72 116.25 117.34 3m4p h VAL 71 Ca -0.26 -1.52 0.25 0.00 0.82 0.00 0.00 66.70 65.98 3m4p h VAL 71 Cb 2.10 1.82 -0.09 0.00 -1.52 0.00 0.00 31.29 33.60 3m4p h VAL 71 CO 0.24 0.43 0.65 0.50 0.02 0.00 0.00 177.57 179.41 3m4p h LYS 72 N 0.00 0.43 0.00 1.57 3.64 -1.49 -0.50 116.57 120.22 3m4p h LYS 72 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3m4p h LYS 72 Cb 0.79 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3m4p h LYS 72 CO 0.06 0.28 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.00 3m4p h LEU 73 N 0.44 0.00 -9.07 5.20 3.38 -1.62 -3.44 115.31 110.19 3m4p h LEU 73 Ca 0.57 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.97 3m4p h LEU 73 Cb 1.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 3m4p h LEU 73 CO -0.29 0.00 0.95 -0.22 0.09 0.00 0.00 178.44 178.98 3m4p s LEU 74 N -5.77 4.06 0.28 1.67 2.96 -0.20 -4.62 118.68 117.06 3m4p s LEU 74 Ca 0.04 1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 55.42 3m4p s LEU 74 Cb 0.07 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 3m4p s LEU 74 CO 0.72 -0.92 0.39 0.42 -1.32 0.00 0.00 176.35 175.65 3m4p s THR 75 N 3.96 0.00 0.19 3.68 -4.23 -1.26 -4.98 115.64 113.00 3m4p s THR 75 Ca 0.57 -1.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 3m4p s THR 75 Cb -0.20 -2.46 -0.10 0.00 1.34 0.00 0.00 72.50 71.07 3m4p s THR 75 CO 0.19 0.00 1.57 -0.60 -0.54 0.00 0.00 174.62 175.25 3m4p s ARG 76 N -3.63 4.20 -1.21 3.99 3.52 -1.26 -2.93 118.95 121.64 3m4p s ARG 76 Ca 0.30 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 3m4p s ARG 76 Cb 0.01 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 3m4p s ARG 76 CO 0.15 -0.60 0.00 0.39 -0.81 0.00 0.00 175.30 174.43 3m4p n GLU 77 N 3.58 -0.91 -2.36 5.12 -0.58 0.74 -4.79 120.64 121.44 3m4p n GLU 77 Ca 0.13 0.88 -0.29 0.00 -0.42 0.00 0.00 57.16 57.45 3m4p n GLU 77 Cb 0.38 -4.90 -0.00 0.00 -0.57 0.00 0.00 31.44 26.35 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 -3.92 6.39 0.06 0.00 1.04 -0.45 -0.97 113.70 115.85 3m4p s SER 79 Ca 0.52 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.46 3m4p s SER 79 Cb -0.11 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 3m4p s SER 79 CO 0.45 0.34 -0.15 -0.76 0.98 0.00 0.00 173.24 174.11 3m4p s LEU 80 N -0.70 2.24 -0.35 2.42 1.43 0.23 -0.16 118.68 123.79 3m4p s LEU 80 Ca 0.14 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3m4p s LEU 80 Cb -0.12 -0.61 0.06 0.00 0.03 0.00 0.00 46.19 45.55 3m4p s LEU 80 CO 0.04 -0.01 0.11 -0.70 0.23 0.00 0.00 176.35 176.02 3m4p s GLU 81 N -1.52 2.43 -0.18 1.70 2.12 -0.78 -1.78 118.70 120.69 3m4p s GLU 81 Ca 0.01 -1.37 -0.04 0.00 0.36 0.00 0.00 54.97 53.93 3m4p s GLU 81 Cb -0.09 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 3m4p s GLU 81 CO 0.02 -0.77 -0.04 0.42 -0.54 0.00 0.00 175.26 174.35 3m4p s ILE 82 N 1.31 3.65 -0.12 -3.70 1.01 -0.46 -2.26 121.20 120.62 3m4p s ILE 82 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3m4p s ILE 82 Cb -0.21 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.65 3m4p s ILE 82 CO 0.00 0.46 -0.22 -0.89 0.00 0.00 0.00 174.94 174.29 3m4p s THR 83 N 0.87 2.01 -0.03 2.92 2.01 -0.03 -0.46 115.64 122.92 3m4p s THR 83 Ca -0.01 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 3m4p s THR 83 Cb -0.15 -1.77 0.11 0.00 0.01 0.00 0.00 72.50 70.70 3m4p s THR 83 CO 0.01 0.54 1.31 -0.83 -0.69 0.00 0.00 174.62 174.97 3m4p s GLY 84 N 0.63 -0.22 -0.26 4.40 0.00 0.17 -0.49 107.32 111.54 3m4p s GLY 84 Ca -0.12 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.71 3m4p s GLY 84 CO 0.03 4.29 0.34 -1.60 0.00 0.00 0.00 173.10 176.16 3m4p s ARG 85 N -2.09 4.02 -0.53 2.90 3.52 0.75 -1.04 118.95 126.48 3m4p s ARG 85 Ca 0.26 -0.01 -0.28 0.00 -0.13 0.00 0.00 55.73 55.56 3m4p s ARG 85 Cb 0.01 -3.64 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 3m4p s ARG 85 CO -0.02 -0.22 1.26 -0.51 -0.81 0.00 0.00 175.30 175.00 3m4p s LEU 86 N 1.91 3.49 0.29 -0.88 1.43 -0.94 -0.69 118.68 123.29 3m4p s LEU 86 Ca 0.14 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 3m4p s LEU 86 Cb -0.16 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3m4p s LEU 86 CO 0.10 -1.49 0.36 0.20 0.23 0.00 0.00 176.35 175.75 3m4p s ASN 87 N 3.33 5.91 0.37 2.29 0.01 0.37 -4.21 114.94 123.01 3m4p s ASN 87 Ca 0.49 -0.16 -0.23 0.00 -0.71 0.00 0.00 52.86 52.25 3m4p s ASN 87 Cb -0.09 -1.44 -0.10 0.00 0.41 0.00 0.00 41.25 40.03 3m4p s ASN 87 CO 0.28 -0.22 0.93 0.00 -1.51 0.00 0.00 177.10 176.57 3m4p s ALA 88 N -2.12 3.14 -0.45 0.60 0.00 -1.26 0.09 121.76 121.75 3m4p s ALA 88 Ca 0.38 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 3m4p s ALA 88 Cb -0.08 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3m4p s ALA 88 CO 0.29 0.17 1.31 0.71 0.00 0.00 0.00 175.76 178.23 3m4p s TYR 89 N -1.91 2.54 1.22 0.00 1.51 -1.26 -4.77 117.35 114.68 3m4p s TYR 89 Ca 0.56 0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 57.10 3m4p s TYR 89 Cb -0.13 -4.38 0.29 0.00 -0.11 0.00 0.00 41.96 37.63 3m4p s TYR 89 CO 0.18 -1.72 1.07 0.00 -1.11 0.00 0.00 175.55 173.97 3m4p s ALA 90 N 5.13 0.30 0.25 3.71 0.00 -1.26 -4.94 121.76 124.96 3m4p s ALA 90 Ca 0.55 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3m4p s ALA 90 Cb -0.11 -2.95 0.43 0.00 0.00 0.00 0.00 23.12 20.48 3m4p s ALA 90 CO 0.32 -3.71 1.79 0.78 0.00 0.00 0.00 175.76 174.94 3m4p h GLY 91 N -2.66 1.28 0.00 0.00 0.00 -2.05 -3.33 103.07 96.31 3m4p h GLY 91 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3m4p h GLY 91 CO 0.38 0.08 0.00 0.28 0.00 0.00 0.00 176.54 177.28 3m4p n LYS 92 N -4.79 0.00 -3.94 4.80 4.76 -1.26 -4.84 118.16 112.89 3m4p n LYS 92 Ca 0.14 0.27 -0.32 0.00 -2.87 0.00 0.00 58.31 55.53 3m4p n LYS 92 Cb 0.32 -1.23 -0.05 0.00 -1.84 0.00 0.00 35.03 32.23 3m4p n LYS 92 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3m4p s ASN 93 N -2.00 6.23 0.42 4.39 4.22 -1.25 -5.12 114.94 121.83 3m4p s ASN 93 Ca 0.00 0.26 0.07 0.00 -2.14 0.00 0.00 52.86 51.04 3m4p s ASN 93 Cb 0.00 -1.90 -0.07 0.00 1.28 0.00 0.00 41.25 40.56 3m4p s ASN 93 CO 0.00 0.20 0.07 -1.00 -2.04 0.00 0.00 177.10 174.33 3m4p s HIS 94 N -1.42 2.49 0.89 1.54 3.76 -1.26 -3.98 115.29 117.31 3m4p s HIS 94 Ca 0.31 -0.67 -0.10 0.00 -0.15 0.00 0.00 55.06 54.46 3m4p s HIS 94 Cb -0.13 -1.83 0.13 0.00 1.11 0.00 0.00 32.58 31.87 3m4p s HIS 94 CO 0.24 0.35 1.14 -2.14 -0.85 0.00 0.00 174.74 173.47 3m4p s PRO 95 N -3.79 1.19 0.67 8.40 0.02 -1.26 -5.00 135.00 135.24 3m4p s PRO 95 Ca 0.35 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.75 3m4p s PRO 95 Cb 0.08 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.85 3m4p s PRO 95 CO 0.18 -2.50 1.07 -1.25 -0.33 0.00 0.00 177.00 174.18 3m4p s PRO 96 N -4.68 2.89 -1.21 5.54 0.04 -1.26 -4.93 135.00 131.38 3m4p s PRO 96 Ca 0.66 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.65 3m4p s PRO 96 Cb -0.22 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3m4p s PRO 96 CO 0.58 -1.15 1.76 -2.00 0.04 0.00 0.00 177.00 176.22 3m4p s GLU 97 N -4.55 3.50 -0.03 4.56 2.56 -1.26 -4.88 118.70 118.60 3m4p s GLU 97 Ca 0.62 -1.59 -0.03 0.00 0.00 0.00 0.00 54.97 53.97 3m4p s GLU 97 Cb -0.16 -5.42 0.01 0.00 2.00 0.00 0.00 34.13 30.55 3m4p s GLU 97 CO 0.47 -2.72 0.08 0.42 -0.56 0.00 0.00 175.26 172.95 3m4p s ILE 98 N 6.25 -0.00 0.59 -3.70 1.01 -1.26 -5.14 121.20 118.96 3m4p s ILE 98 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 3m4p s ILE 98 Cb 0.02 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 3m4p s ILE 98 CO 0.06 0.00 1.29 0.00 0.00 0.00 0.00 174.94 176.30 3m4p s ALA 99 N 0.05 2.59 -1.74 9.38 0.00 -1.26 -2.79 121.76 127.98 3m4p s ALA 99 Ca -0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3m4p s ALA 99 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m4p s ALA 99 CO 0.00 -1.40 0.00 -0.25 0.00 0.00 0.00 175.76 174.11 3m4p n ASP 100 N -1.48 -4.89 -4.74 0.00 8.00 -1.26 -4.49 116.55 107.68 3m4p n ASP 100 Ca 0.13 0.41 -0.41 0.00 0.71 0.00 0.00 54.79 55.63 3m4p n ASP 100 Cb 0.47 -4.21 -0.03 0.00 -0.02 0.00 0.00 41.12 37.34 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 -2.38 2.93 0.24 0.53 1.10 -1.12 -1.62 121.20 120.89 3m4p s ILE 101 Ca 0.00 0.80 -0.30 0.00 -0.51 0.00 0.00 60.65 60.64 3m4p s ILE 101 Cb 0.00 -3.51 -0.09 0.00 0.15 0.00 0.00 42.46 39.01 3m4p s ILE 101 CO 0.00 0.13 1.29 -0.22 -2.11 0.00 0.00 174.94 174.03 3m4p s LEU 102 N -0.46 4.43 -0.20 8.50 2.96 0.10 -4.87 118.68 129.13 3m4p s LEU 102 Ca 0.56 2.46 -0.00 0.00 -0.22 0.00 0.00 54.13 56.93 3m4p s LEU 102 Cb -0.39 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 42.83 3m4p s LEU 102 CO 0.42 -0.49 1.95 -3.20 -1.32 0.00 0.00 176.35 173.70 3m4p n ASN 103 N 2.07 5.83 -3.78 3.68 5.15 -1.26 -4.72 115.26 122.24 3m4p n ASN 103 Ca 0.04 -2.81 -0.13 0.00 -0.60 0.00 0.00 54.58 51.08 3m4p n ASN 103 Cb 0.43 -1.04 -0.10 0.00 -0.53 0.00 0.00 39.78 38.54 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 -1.19 0.95 0.03 1.20 1.43 -1.26 -4.50 118.68 115.34 3m4p s LEU 104 Ca 0.20 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3m4p s LEU 104 Cb 0.16 1.07 -0.04 0.00 0.03 0.00 0.00 46.19 47.41 3m4p s LEU 104 CO 0.00 -0.26 0.19 -0.70 0.23 0.00 0.00 176.35 175.80 3m4p s GLU 105 N -0.58 3.38 -0.23 1.70 2.12 0.11 -4.61 118.70 120.60 3m4p s GLU 105 Ca -0.07 -0.42 -0.09 0.00 0.36 0.00 0.00 54.97 54.76 3m4p s GLU 105 Cb -0.04 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 3m4p s GLU 105 CO 0.02 0.63 0.11 1.41 -0.54 0.00 0.00 175.26 176.89 3m4p s MET 106 N -2.27 3.92 -0.47 4.30 -2.45 -0.84 0.14 119.30 121.62 3m4p s MET 106 Ca 0.31 -0.35 -0.23 0.00 -1.25 0.00 0.00 55.69 54.17 3m4p s MET 106 Cb -0.13 -3.39 0.03 0.00 1.25 0.00 0.00 34.83 32.59 3m4p s MET 106 CO 0.24 0.04 0.81 -0.65 1.05 0.00 0.00 175.02 176.50 3m4p s GLN 107 N 1.06 3.37 0.11 4.11 -1.52 0.14 -1.28 119.66 125.65 3m4p s GLN 107 Ca 0.06 -0.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 3m4p s GLN 107 Cb -0.14 -3.97 -0.07 0.00 -0.22 0.00 0.00 33.01 28.62 3m4p s GLN 107 CO 0.04 -1.20 1.20 0.08 -0.25 0.00 0.00 175.29 175.16 3m4p s VAL 108 N 3.38 3.86 -0.23 1.09 1.01 -0.88 -0.18 120.40 128.45 3m4p s VAL 108 Ca 0.29 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 3m4p s VAL 108 Cb -0.13 -3.91 -0.19 0.00 0.00 0.00 0.00 36.38 32.16 3m4p s VAL 108 CO 0.21 0.15 -0.12 0.35 0.00 0.00 0.00 175.10 175.70 3m4p n THR 109 N 3.40 1.55 -3.77 3.92 -2.24 0.36 -4.71 114.28 112.80 3m4p n THR 109 Ca 0.07 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 3m4p n THR 109 Cb 0.46 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.13 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 -2.53 1.16 -0.04 -0.78 -1.05 -0.67 -5.00 118.70 109.79 3m4p s GLU 110 Ca -0.33 -0.89 -0.31 0.00 -0.15 0.00 0.00 54.97 53.30 3m4p s GLU 110 Cb 0.09 0.45 0.07 0.00 -0.44 0.00 0.00 34.13 34.30 3m4p s GLU 110 CO 0.63 -0.45 0.68 1.67 0.95 0.00 0.00 175.26 178.73 3m4p s TRP 111 N -3.87 -0.65 0.00 4.83 1.48 -1.26 -0.85 118.94 118.62 3m4p s TRP 111 Ca 0.08 1.08 -0.06 0.00 -1.06 0.00 0.00 56.10 56.15 3m4p s TRP 111 Cb 0.02 0.42 -0.00 0.00 -1.16 0.00 0.00 33.47 32.74 3m4p s TRP 111 CO -0.06 -0.62 0.11 -1.59 -4.06 0.00 0.00 176.95 170.72 3m4p s LYS 112 N -1.33 0.42 -0.26 3.25 -2.85 -0.96 -5.02 119.74 112.98 3m4p s LYS 112 Ca -0.10 -0.38 -0.25 0.00 -1.00 0.00 0.00 55.97 54.24 3m4p s LYS 112 Cb -0.00 0.17 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3m4p s LYS 112 CO 0.09 -0.09 0.85 0.08 0.10 0.00 0.00 175.35 176.38 3m4p s VAL 113 N -1.26 4.79 -0.14 1.79 1.01 -1.26 -1.86 120.40 123.46 3m4p s VAL 113 Ca -0.14 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.19 3m4p s VAL 113 Cb -0.07 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 3m4p s VAL 113 CO 0.01 -0.16 0.34 0.40 0.00 0.00 0.00 175.10 175.69 3m4p h ILE 114 N 5.50 0.93 -3.60 2.22 2.04 -0.90 -3.46 117.51 120.24 3m4p h ILE 114 Ca -0.23 -1.80 -0.59 0.00 1.00 0.00 0.00 64.86 63.24 3m4p h ILE 114 Cb 1.09 1.86 -0.32 0.00 -0.74 0.00 0.00 36.82 38.70 3m4p h ILE 114 CO 0.90 0.32 -0.85 -0.83 0.00 0.00 0.00 178.15 177.69 3m4p s GLY 115 N -4.18 1.03 0.89 5.37 0.00 -1.18 -4.99 107.32 104.26 3m4p s GLY 115 Ca -0.16 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 3m4p s GLY 115 CO 0.43 -0.22 1.15 -0.54 0.00 0.00 0.00 173.10 173.91 3m4p s GLU 116 N 0.30 1.33 -0.30 2.90 2.02 -1.26 -1.34 118.70 122.34 3m4p s GLU 116 Ca -0.11 0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.13 3m4p s GLU 116 Cb -0.15 -1.86 0.13 0.00 0.10 0.00 0.00 34.13 32.35 3m4p s GLU 116 CO 0.05 -2.06 0.28 0.45 0.02 0.00 0.00 175.26 173.99 3m4p s SER 117 N -4.14 1.93 0.43 -0.19 0.15 -1.26 -4.75 113.70 105.87 3m4p s SER 117 Ca 0.63 -1.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.03 3m4p s SER 117 Cb -0.14 0.35 -0.10 0.00 -1.71 0.00 0.00 66.02 64.42 3m4p s SER 117 CO 0.52 -0.37 1.05 -2.65 1.20 0.00 0.00 173.24 172.99 3m4p n PRO 118 N 5.09 1.42 0.00 5.44 -0.02 -1.26 -4.68 135.00 141.00 3m4p n PRO 118 Ca -0.00 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 3m4p n PRO 118 Cb 0.45 -2.10 0.64 0.00 -0.02 0.00 0.00 33.50 32.47 3m4p n PRO 118 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3m4p n ILE 119 N -0.50 0.00 0.67 4.25 -5.35 -1.26 -2.16 119.36 115.01 3m4p n ILE 119 Ca 0.09 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.65 3m4p n ILE 119 Cb 0.39 -0.38 0.38 0.00 -1.74 0.00 0.00 39.64 38.29 3m4p n ILE 119 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3m4p n ASP 120 N -0.86 0.00 -0.30 7.28 5.68 -1.26 -2.86 116.55 124.23 3m4p n ASP 120 Ca 0.16 0.26 0.09 0.00 -0.50 0.00 0.00 54.79 54.81 3m4p n ASP 120 Cb 0.07 -0.39 0.25 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.46 -2.71 -2.12 5.85 -1.80 -2.56 115.31 112.42 3m4p h LEU 121 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3m4p h LEU 121 Cb 0.21 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3m4p h LEU 121 CO 0.00 0.14 0.00 -0.33 -0.34 0.00 0.00 178.44 177.91 3m4p h GLU 122 N 0.54 0.00 0.00 1.25 4.39 -1.80 -1.18 114.58 117.78 3m4p h GLU 122 Ca 0.50 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.17 3m4p h GLU 122 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3m4p h GLU 122 CO -0.42 0.00 -0.11 -0.91 -1.16 0.00 0.00 179.01 176.41 3m4p h ASN 123 N 0.00 0.00 -0.00 1.42 2.35 -1.70 -3.36 115.58 114.29 3m4p h ASN 123 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3m4p h ASN 123 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3m4p h ASN 123 CO 0.00 0.11 -0.02 0.40 -1.65 0.00 0.00 177.43 176.26 3m4p h ILE 124 N 0.00 1.54 -3.63 2.81 2.04 -1.33 -3.44 117.51 115.49 3m4p h ILE 124 Ca -0.00 -1.61 -0.51 0.00 1.00 0.00 0.00 64.86 63.73 3m4p h ILE 124 Cb 1.08 2.62 -0.32 0.00 -0.74 0.00 0.00 36.82 39.45 3m4p h ILE 124 CO 0.01 0.42 -0.82 -0.63 0.00 0.00 0.00 178.15 177.14 3m4p s ILE 125 N -3.49 1.17 0.00 -0.67 -1.09 -1.25 -4.85 121.20 111.01 3m4p s ILE 125 Ca -0.17 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3m4p s ILE 125 Cb 0.00 -1.04 0.00 0.00 -1.58 0.00 0.00 42.46 39.84 3m4p s ILE 125 CO 0.69 0.35 0.00 -0.46 -1.23 0.00 0.00 174.94 174.29 3m4p n ASN 126 N 3.52 0.00 0.06 3.58 0.23 -1.26 -4.76 115.26 116.63 3m4p n ASN 126 Ca -0.21 -0.88 -0.11 0.00 -0.53 0.00 0.00 54.58 52.85 3m4p n ASN 126 Cb 0.53 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.35 -1.57 -3.83 5.09 -2.00 -3.07 116.57 110.83 3m4p h LYS 127 Ca 0.00 0.02 -0.72 0.00 0.09 0.00 0.00 60.65 60.04 3m4p h LYS 127 Cb 0.00 0.08 -0.29 0.00 0.10 0.00 0.00 32.23 32.12 3m4p h LYS 127 CO 0.00 -0.23 0.87 -0.40 -2.09 0.00 0.00 179.45 177.60 3m4p n ASP 128 N -5.35 7.41 -4.67 7.07 3.85 -1.26 -4.94 116.55 118.65 3m4p n ASP 128 Ca -0.05 -3.81 -0.39 0.00 -0.71 0.00 0.00 54.79 49.83 3m4p n ASP 128 Cb 0.27 -0.99 -0.06 0.00 -1.35 0.00 0.00 41.12 38.98 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 -1.53 6.60 1.02 -1.12 0.01 -1.16 -5.07 113.70 112.45 3m4p s SER 129 Ca 0.57 0.72 -0.12 0.00 1.31 0.00 0.00 55.95 58.43 3m4p s SER 129 Cb 0.46 -2.30 0.20 0.00 0.21 0.00 0.00 66.02 64.59 3m4p s SER 129 CO -0.25 -0.16 1.08 -0.94 0.41 0.00 0.00 173.24 173.38 3m4p s SER 130 N 1.06 2.28 0.10 2.44 1.04 -1.26 -4.80 113.70 114.57 3m4p s SER 130 Ca 0.25 1.58 -0.22 0.00 0.48 0.00 0.00 55.95 58.04 3m4p s SER 130 Cb -0.15 -2.25 -0.12 0.00 0.10 0.00 0.00 66.02 63.60 3m4p s SER 130 CO 0.10 -3.40 1.73 0.40 0.98 0.00 0.00 173.24 173.05 3m4p h ILE 131 N -2.07 1.04 -0.93 -1.02 2.04 -1.99 -2.17 117.51 112.42 3m4p h ILE 131 Ca -0.54 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.36 3m4p h ILE 131 Cb 1.31 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 38.26 3m4p h ILE 131 CO 0.51 0.03 0.55 -0.65 0.00 0.00 0.00 178.15 178.60 3m4p h PRO 132 N 0.09 0.82 -0.85 2.37 0.11 -1.99 0.22 132.00 132.77 3m4p h PRO 132 Ca 0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3m4p h PRO 132 Cb 0.01 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.90 3m4p h PRO 132 CO -0.01 0.54 0.43 0.37 -0.21 0.00 0.00 178.00 179.12 3m4p h GLN 133 N 0.84 1.21 0.00 1.05 5.75 -1.85 0.39 115.11 122.50 3m4p h GLN 133 Ca 0.48 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.72 3m4p h GLN 133 Cb 0.54 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3m4p h GLN 133 CO -0.30 0.91 -0.42 0.87 -2.65 0.00 0.00 178.83 177.24 3m4p h LYS 134 N 1.20 0.00 0.22 1.69 1.57 -0.68 -2.22 116.57 118.36 3m4p h LYS 134 Ca 0.29 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.73 3m4p h LYS 134 Cb 0.09 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.42 3m4p h LYS 134 CO -0.04 0.42 -1.58 0.52 -0.57 0.00 0.00 179.45 178.20 3m4p h MET 135 N 0.00 0.47 -0.78 3.15 2.86 -0.72 -2.96 114.93 116.94 3m4p h MET 135 Ca -0.00 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.83 3m4p h MET 135 Cb 1.15 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 33.08 3m4p h MET 135 CO 0.05 1.39 0.50 0.37 1.06 0.00 0.00 176.91 180.28 3m4p h GLN 136 N 0.11 1.04 -0.93 1.72 5.75 -0.94 -3.11 115.11 118.75 3m4p h GLN 136 Ca -0.30 -0.07 -0.61 0.00 -0.15 0.00 0.00 58.65 57.52 3m4p h GLN 136 Cb 2.12 -0.23 -0.37 0.00 1.07 0.00 0.00 27.48 30.07 3m4p h GLN 136 CO 0.23 0.70 -0.08 0.09 -2.65 0.00 0.00 178.83 177.12 3m4p n ASN 137 N -4.40 6.11 0.29 -0.69 3.02 -0.84 -4.63 115.26 114.12 3m4p n ASN 137 Ca 0.09 -3.77 0.17 0.00 -0.03 0.00 0.00 54.58 51.03 3m4p n ASN 137 Cb 0.04 -0.62 0.84 0.00 -0.61 0.00 0.00 39.78 39.43 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 2.15 0.00 -0.38 3.52 2.43 -1.44 -0.76 114.38 119.90 3m4p h ARG 138 Ca 0.47 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.75 3m4p h ARG 138 Cb 1.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3m4p h ARG 138 CO 1.12 0.06 0.28 1.12 -1.51 0.00 0.00 179.97 181.04 3m4p h HIS 139 N 0.00 0.00 0.23 2.20 2.07 -1.88 0.29 115.15 118.05 3m4p h HIS 139 Ca -0.00 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.18 3m4p h HIS 139 Cb 0.31 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.32 3m4p h HIS 139 CO 0.00 0.00 -1.56 0.82 -3.07 0.00 0.00 177.93 174.12 3m4p h ILE 140 N 0.00 1.16 -0.67 6.12 1.08 -1.52 -3.35 117.51 120.34 3m4p h ILE 140 Ca 0.18 -2.62 -0.02 0.00 -0.39 0.00 0.00 64.86 62.00 3m4p h ILE 140 Cb 0.74 2.95 -0.03 0.00 -3.07 0.00 0.00 36.82 37.41 3m4p h ILE 140 CO -0.00 0.82 0.32 0.58 -0.69 0.00 0.00 178.15 179.18 3m4p h VAL 141 N 0.11 1.21 0.00 1.67 2.07 -1.19 -2.26 116.25 117.86 3m4p h VAL 141 Ca -0.29 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3m4p h VAL 141 Cb 2.13 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3m4p h VAL 141 CO 0.24 0.25 -0.03 0.16 0.02 0.00 0.00 177.57 178.21 3m4p h ILE 142 N 0.94 0.45 0.00 4.57 3.07 -0.61 -0.38 117.51 125.55 3m4p h ILE 142 Ca 0.23 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.52 3m4p h ILE 142 Cb 0.09 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 3m4p h ILE 142 CO -0.03 0.03 0.00 0.54 -1.05 0.00 0.00 178.15 177.64 3m4p n ARG 143 N -3.68 0.17 -2.12 0.16 1.74 -0.85 -3.07 116.66 109.01 3m4p n ARG 143 Ca -0.03 0.31 -0.39 0.00 -0.77 0.00 0.00 57.85 56.97 3m4p n ARG 143 Cb 0.12 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 3m4p n ARG 143 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3m4p s SER 144 N -4.02 6.37 0.19 0.55 1.04 -0.15 -4.87 113.70 112.82 3m4p s SER 144 Ca 0.07 2.57 -0.16 0.00 0.48 0.00 0.00 55.95 58.91 3m4p s SER 144 Cb 0.11 -2.63 0.17 0.00 0.10 0.00 0.00 66.02 63.77 3m4p s SER 144 CO 0.44 -0.80 1.64 -0.08 0.98 0.00 0.00 173.24 175.41 3m4p h GLU 145 N 2.68 -0.03 -0.11 4.02 4.81 -1.87 -1.28 114.58 122.79 3m4p h GLU 145 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3m4p h GLU 145 Cb 1.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3m4p h GLU 145 CO 0.63 -0.02 0.07 1.25 -0.73 0.00 0.00 179.01 180.21 3m4p h HIS 146 N -0.03 0.15 -0.48 0.92 2.76 -1.92 0.36 115.15 116.91 3m4p h HIS 146 Ca 0.25 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 3m4p h HIS 146 Cb 0.42 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3m4p h HIS 146 CO -0.47 0.11 -0.20 1.15 -1.30 0.00 0.00 177.93 177.23 3m4p h THR 147 N 0.14 1.27 0.01 6.26 2.02 -1.75 0.27 112.91 121.13 3m4p h THR 147 Ca 0.04 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 65.89 3m4p h THR 147 Cb 0.01 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 3m4p h THR 147 CO -0.01 0.47 -0.28 -0.61 0.37 0.00 0.00 175.52 175.46 3m4p h GLN 148 N 0.83 -0.41 -0.92 6.66 4.15 -1.02 0.30 115.11 124.70 3m4p h GLN 148 Ca 0.11 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.62 3m4p h GLN 148 Cb 0.77 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 3m4p h GLN 148 CO 0.06 -0.28 0.59 1.96 -1.93 0.00 0.00 178.83 179.23 3m4p h GLN 149 N -0.43 1.04 -0.53 1.69 1.08 -0.64 0.27 115.11 117.59 3m4p h GLN 149 Ca 0.06 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3m4p h GLN 149 Cb 0.51 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3m4p h GLN 149 CO -0.23 0.69 -0.05 0.28 -0.95 0.00 0.00 178.83 178.57 3m4p h VAL 150 N 1.08 1.26 -0.21 -0.54 2.07 -0.47 0.87 116.25 120.31 3m4p h VAL 150 Ca 0.40 -1.15 -0.18 0.00 0.82 0.00 0.00 66.70 66.58 3m4p h VAL 150 Cb 0.15 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3m4p h VAL 150 CO -0.17 0.41 -0.58 -0.07 0.02 0.00 0.00 177.57 177.18 3m4p h LEU 151 N 0.86 0.87 -0.69 2.57 3.38 -0.27 -0.59 115.31 121.43 3m4p h LEU 151 Ca 0.15 -0.58 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 3m4p h LEU 151 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3m4p h LEU 151 CO 0.03 1.29 -0.34 1.56 0.09 0.00 0.00 178.44 181.08 3m4p h GLN 152 N 0.48 0.63 -0.34 1.13 4.20 -0.89 -2.33 115.11 117.98 3m4p h GLN 152 Ca -0.01 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 3m4p h GLN 152 Cb 1.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3m4p h GLN 152 CO 0.12 0.88 0.12 -0.07 -0.67 0.00 0.00 178.83 179.22 3m4p h LEU 153 N 0.53 0.49 -0.93 1.46 3.38 -0.80 -2.79 115.31 116.65 3m4p h LEU 153 Ca 0.06 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 57.99 3m4p h LEU 153 Cb 0.84 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 3m4p h LEU 153 CO 0.07 0.55 0.54 -0.09 0.09 0.00 0.00 178.44 179.60 3m4p h ARG 154 N 0.40 0.75 -0.59 1.13 2.43 -0.89 0.11 114.38 117.73 3m4p h ARG 154 Ca 0.11 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3m4p h ARG 154 Cb 0.22 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3m4p h ARG 154 CO -0.01 0.50 0.39 1.03 -1.51 0.00 0.00 179.97 180.37 3m4p h SER 155 N 0.78 0.68 -0.11 -3.80 0.87 -1.17 -1.50 113.55 109.29 3m4p h SER 155 Ca 0.50 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.91 3m4p h SER 155 Cb 0.65 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3m4p h SER 155 CO -0.33 0.49 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.69 3m4p h GLU 156 N 0.80 0.49 -0.77 2.24 4.39 -0.60 -2.32 114.58 118.82 3m4p h GLU 156 Ca 0.22 -0.38 0.08 0.00 0.34 0.00 0.00 59.36 59.61 3m4p h GLU 156 Cb -0.09 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 3m4p h GLU 156 CO -0.05 1.01 0.44 0.82 -1.16 0.00 0.00 179.01 180.07 3m4p h ILE 157 N 0.08 0.94 -0.46 3.13 2.04 -0.67 -1.35 117.51 121.23 3m4p h ILE 157 Ca -0.02 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3m4p h ILE 157 Cb 1.08 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3m4p h ILE 157 CO 0.09 0.14 0.01 1.56 0.00 0.00 0.00 178.15 179.96 3m4p h GLN 158 N 0.77 0.80 -0.54 2.37 4.20 -1.30 -2.33 115.11 119.08 3m4p h GLN 158 Ca 0.36 -0.25 0.08 0.00 0.06 0.00 0.00 58.65 58.90 3m4p h GLN 158 Cb 0.27 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 3m4p h GLN 158 CO -0.22 0.85 0.19 2.35 -0.67 0.00 0.00 178.83 181.33 3m4p h TRP 159 N 0.65 0.32 0.00 2.96 2.91 -0.77 -1.26 115.95 120.77 3m4p h TRP 159 Ca 0.13 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.07 3m4p h TRP 159 Cb 0.48 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 3m4p h TRP 159 CO 0.04 0.08 -0.51 1.88 -1.03 0.00 0.00 178.44 178.90 3m4p h TYR 160 N 0.36 0.00 0.24 2.65 0.05 -1.10 -0.29 116.97 118.88 3m4p h TYR 160 Ca 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 3m4p h TYR 160 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3m4p h TYR 160 CO -0.17 0.51 -0.12 0.74 -1.05 0.00 0.00 178.16 178.07 3m4p h PHE 161 N 0.00 -0.30 -0.92 4.88 0.04 -0.84 -1.14 116.94 118.65 3m4p h PHE 161 Ca -0.01 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3m4p h PHE 161 Cb 0.96 0.10 -0.07 0.00 2.20 0.00 0.00 35.95 39.14 3m4p h PHE 161 CO 0.00 -0.10 0.58 0.00 -0.60 0.00 0.00 178.31 178.19 3m4p h ARG 162 N -0.46 1.02 -0.45 1.51 3.08 -1.07 -1.80 114.38 116.21 3m4p h ARG 162 Ca -0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3m4p h ARG 162 Cb 0.35 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3m4p h ARG 162 CO 0.06 0.67 0.05 -0.22 -1.07 0.00 0.00 179.97 179.46 3m4p h LYS 163 N 1.05 0.70 0.15 0.04 3.64 -0.91 -0.33 116.57 120.91 3m4p h LYS 163 Ca 0.40 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3m4p h LYS 163 Cb 0.19 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3m4p h LYS 163 CO -0.18 0.68 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.69 3m4p h TYR 164 N 0.67 -0.18 -0.31 1.91 3.20 -0.36 0.98 116.97 122.88 3m4p h TYR 164 Ca 0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3m4p h TYR 164 Cb 0.34 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3m4p h TYR 164 CO 0.02 -0.05 0.01 1.88 -1.64 0.00 0.00 178.16 178.38 3m4p h TYR 165 N -0.28 0.47 -0.30 -3.82 0.05 -1.17 0.17 116.97 112.10 3m4p h TYR 165 Ca -0.02 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.60 3m4p h TYR 165 Cb 0.22 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 3m4p h TYR 165 CO -0.04 0.46 -0.30 1.25 -1.05 0.00 0.00 178.16 178.47 3m4p h HIS 166 N 0.45 0.89 -0.04 4.88 2.76 -0.89 0.53 115.15 123.72 3m4p h HIS 166 Ca 0.10 -0.27 -0.09 0.00 -2.20 0.00 0.00 60.37 57.91 3m4p h HIS 166 Cb 0.27 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3m4p h HIS 166 CO 0.01 1.03 -0.40 -0.44 -1.30 0.00 0.00 177.93 176.82 3m4p h ASP 167 N 0.49 0.09 -0.60 3.26 3.32 -0.31 -2.86 116.42 119.82 3m4p h ASP 167 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3m4p h ASP 167 Cb 0.88 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3m4p h ASP 167 CO 0.08 0.49 0.00 0.59 -1.72 0.00 0.00 179.24 178.67 3m4p n ASN 168 N -4.05 3.36 -3.38 6.45 3.02 0.56 -4.97 115.26 116.25 3m4p n ASN 168 Ca -0.02 -2.05 -0.17 0.00 -0.03 0.00 0.00 54.58 52.31 3m4p n ASN 168 Cb 0.45 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.23 -2.28 -3.72 3.10 8.25 -0.79 -5.01 115.22 116.00 3m4p n HIS 169 Ca 0.20 0.88 -0.35 0.00 -0.26 0.00 0.00 57.72 58.19 3m4p n HIS 169 Cb 0.55 -4.57 -0.08 0.00 1.12 0.00 0.00 29.99 27.00 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 -3.40 3.43 -0.06 4.41 0.08 0.11 -4.76 117.98 117.79 3m4p s PHE 170 Ca 0.21 0.38 -0.29 0.00 0.12 0.00 0.00 56.93 57.35 3m4p s PHE 170 Cb -0.03 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3m4p s PHE 170 CO 0.74 0.32 0.96 0.99 -0.10 0.00 0.00 175.22 178.14 3m4p s THR 171 N 0.26 4.85 0.17 0.64 2.01 -0.48 -4.60 115.64 118.49 3m4p s THR 171 Ca 0.10 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 3m4p s THR 171 Cb -0.11 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 3m4p s THR 171 CO -0.01 0.10 0.97 -0.70 -0.69 0.00 0.00 174.62 174.29 3m4p s GLU 172 N 1.47 4.76 0.23 4.92 2.12 -1.26 -1.46 118.70 129.48 3m4p s GLU 172 Ca 0.49 1.50 0.10 0.00 0.36 0.00 0.00 54.97 57.42 3m4p s GLU 172 Cb -0.19 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 3m4p s GLU 172 CO 0.22 0.33 -0.19 0.96 -0.54 0.00 0.00 175.26 176.04 3m4p s ILE 173 N -0.54 2.19 -0.57 -3.70 -4.36 -0.64 -4.94 121.20 108.65 3m4p s ILE 173 Ca 0.45 -2.25 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3m4p s ILE 173 Cb -0.25 -2.15 0.15 0.00 1.25 0.00 0.00 42.46 41.45 3m4p s ILE 173 CO 0.31 -0.40 0.35 -1.58 0.24 0.00 0.00 174.94 173.86 3m4p s GLN 174 N -3.34 2.28 0.69 0.37 2.00 -1.26 -4.57 119.66 115.84 3m4p s GLN 174 Ca 0.25 -2.50 -0.11 0.00 -2.00 0.00 0.00 55.36 51.00 3m4p s GLN 174 Cb -0.04 -3.56 0.01 0.00 0.80 0.00 0.00 33.01 30.21 3m4p s GLN 174 CO 0.11 -1.14 1.06 -1.25 -0.50 0.00 0.00 175.29 173.58 3m4p s PRO 175 N -0.05 2.98 0.37 1.67 0.04 -1.26 -5.02 135.00 133.73 3m4p s PRO 175 Ca 0.16 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 3m4p s PRO 175 Cb -0.22 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3m4p s PRO 175 CO -0.02 -1.03 1.04 -1.25 0.04 0.00 0.00 177.00 175.78 3m4p s PRO 176 N -5.14 4.29 -0.02 0.56 0.04 -1.26 -4.97 135.00 128.50 3m4p s PRO 176 Ca 0.58 1.54 0.19 0.00 0.04 0.00 0.00 61.00 63.35 3m4p s PRO 176 Cb -0.13 -2.67 -0.27 0.00 0.04 0.00 0.00 34.50 31.47 3m4p s PRO 176 CO 0.54 -0.04 0.57 0.25 0.04 0.00 0.00 177.00 178.37 3m4p n THR 177 N 0.20 0.00 -3.40 1.26 -2.24 -1.26 -4.81 114.28 104.03 3m4p n THR 177 Ca 0.04 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 3m4p n THR 177 Cb 0.49 0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 69.03 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 -3.16 5.17 0.27 2.28 1.01 -1.26 -0.20 121.20 125.31 3m4p s ILE 178 Ca -0.02 0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3m4p s ILE 178 Cb 0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 3m4p s ILE 178 CO 0.81 0.03 0.12 1.33 0.00 0.00 0.00 174.94 177.23 3m4p n VAL 179 N 5.19 0.00 -3.31 2.92 0.24 0.87 -4.95 118.33 119.29 3m4p n VAL 179 Ca -0.09 -1.68 -0.10 0.00 -2.04 0.00 0.00 64.34 60.44 3m4p n VAL 179 Cb 0.50 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 3m4p n VAL 179 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3m4p s LYS 180 N -3.06 0.47 0.00 7.34 -2.85 -1.26 -0.59 119.74 119.79 3m4p s LYS 180 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 3m4p s LYS 180 Cb 0.01 -0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.44 3m4p s LYS 180 CO 0.12 -1.07 0.00 -2.37 0.10 0.00 0.00 175.35 172.14 3m4p n THR 188 N 5.15 0.00 -4.67 3.79 5.66 -1.26 -4.98 114.28 117.97 3m4p n THR 188 Ca 0.03 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 3m4p n THR 188 Cb 0.49 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.13 3m4p n THR 188 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3m4p s LEU 189 N -0.94 2.16 0.47 1.09 1.43 -1.26 -1.47 118.68 120.16 3m4p s LEU 189 Ca 0.00 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 3m4p s LEU 189 Cb 0.00 -0.99 -0.09 0.00 0.03 0.00 0.00 46.19 45.14 3m4p s LEU 189 CO 0.00 0.17 1.00 -0.36 0.23 0.00 0.00 176.35 177.39 3m4p s PHE 190 N -0.78 3.17 -0.03 0.29 0.08 -1.26 -4.81 117.98 114.63 3m4p s PHE 190 Ca 0.08 1.58 0.03 0.00 0.12 0.00 0.00 56.93 58.73 3m4p s PHE 190 Cb -0.09 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3m4p s PHE 190 CO 0.02 -0.51 -0.10 0.15 -0.10 0.00 0.00 175.22 174.68 3m4p s LYS 191 N -3.35 1.09 0.16 0.44 1.02 -1.26 -2.24 119.74 115.60 3m4p s LYS 191 Ca 0.64 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 56.31 3m4p s LYS 191 Cb -0.13 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.14 3m4p s LYS 191 CO 0.19 0.11 -0.00 -0.48 -0.92 0.00 0.00 175.35 174.25 3m4p s LEU 192 N 0.25 2.14 -0.48 3.17 0.05 0.11 -5.00 118.68 118.92 3m4p s LEU 192 Ca -0.04 -1.16 -0.18 0.00 0.05 0.00 0.00 54.13 52.80 3m4p s LEU 192 Cb -0.10 -0.03 0.05 0.00 -2.05 0.00 0.00 46.19 44.06 3m4p s LEU 192 CO 0.01 -0.57 0.55 -1.10 -0.55 0.00 0.00 176.35 174.69 3m4p s GLN 193 N -3.92 3.11 -1.14 1.48 -1.52 -1.26 -0.79 119.66 115.62 3m4p s GLN 193 Ca 0.22 -0.89 -0.17 0.00 -1.95 0.00 0.00 55.36 52.57 3m4p s GLN 193 Cb 0.06 -4.06 0.12 0.00 -0.22 0.00 0.00 33.01 28.91 3m4p s GLN 193 CO 0.03 -1.09 1.45 -0.47 -0.25 0.00 0.00 175.29 174.96 3m4p s TYR 194 N 2.39 3.07 0.00 0.91 5.04 -0.47 -4.90 117.35 123.38 3m4p s TYR 194 Ca 0.13 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.14 3m4p s TYR 194 Cb -0.19 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 37.63 3m4p s TYR 194 CO 0.12 -1.62 0.00 1.19 -1.34 0.00 0.00 175.55 173.91 3m4p n PHE 195 N 7.10 0.00 0.93 4.97 3.72 -1.26 -2.95 117.46 129.98 3m4p n PHE 195 Ca 0.36 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.88 3m4p n PHE 195 Cb 0.46 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.56 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 8.62 0.00 -4.36 4.37 4.13 -1.26 -4.89 115.26 121.88 3m4p n ASN 196 Ca 0.00 0.36 -0.19 0.00 1.68 0.00 0.00 54.58 56.43 3m4p n ASN 196 Cb 0.00 -0.45 -0.10 0.00 -1.54 0.00 0.00 39.78 37.69 3m4p n ASN 196 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3m4p s GLU 197 N -2.89 1.35 0.27 3.52 -1.05 -1.15 -5.13 118.70 113.62 3m4p s GLU 197 Ca 0.15 -1.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.09 3m4p s GLU 197 Cb 0.16 -1.20 -0.09 0.00 -0.44 0.00 0.00 34.13 32.56 3m4p s GLU 197 CO 0.43 0.21 1.04 -1.25 0.95 0.00 0.00 175.26 176.64 3m4p s PRO 198 N -3.54 4.69 0.06 -4.83 0.04 -1.26 -1.37 135.00 128.78 3m4p s PRO 198 Ca 0.22 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 3m4p s PRO 198 Cb -0.02 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.36 3m4p s PRO 198 CO 0.08 0.30 0.29 0.00 0.04 0.00 0.00 177.00 177.70 3m4p s ALA 199 N -1.20 -0.60 0.13 8.56 0.00 0.03 -4.83 121.76 123.84 3m4p s ALA 199 Ca 0.44 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.36 3m4p s ALA 199 Cb -0.29 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3m4p s ALA 199 CO 0.37 -0.45 -0.24 0.71 0.00 0.00 0.00 175.76 176.15 3m4p s TYR 200 N -2.92 2.06 0.20 0.00 2.02 0.25 0.05 117.35 119.00 3m4p s TYR 200 Ca -0.02 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 3m4p s TYR 200 Cb 0.00 -1.11 -0.08 0.00 -0.40 0.00 0.00 41.96 40.37 3m4p s TYR 200 CO -0.06 0.30 1.17 -0.51 -1.57 0.00 0.00 175.55 174.88 3m4p s LEU 201 N -2.08 4.47 0.37 -1.29 1.43 -0.95 -0.09 118.68 120.53 3m4p s LEU 201 Ca 0.11 2.22 -0.27 0.00 -1.03 0.00 0.00 54.13 55.17 3m4p s LEU 201 Cb -0.10 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 3m4p s LEU 201 CO 0.06 -0.32 1.22 0.28 0.23 0.00 0.00 176.35 177.81 3m4p s THR 202 N -0.23 3.00 -0.51 5.49 -1.32 0.72 -4.60 115.64 118.19 3m4p s THR 202 Ca 0.51 0.91 0.12 0.00 -1.21 0.00 0.00 61.69 62.03 3m4p s THR 202 Cb -0.32 -3.54 -0.14 0.00 -1.51 0.00 0.00 72.50 66.98 3m4p s THR 202 CO 0.37 0.15 0.49 0.00 -2.21 0.00 0.00 174.62 173.42 3m4p n GLN 203 N 0.43 2.58 -3.60 7.08 10.64 -1.26 -0.95 117.38 132.29 3m4p n GLN 203 Ca 0.02 -0.02 -0.13 0.00 -1.83 0.00 0.00 57.00 55.05 3m4p n GLN 203 Cb 0.45 -1.11 -0.07 0.00 -0.86 0.00 0.00 30.24 28.65 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 -2.34 -0.61 -0.12 2.61 0.15 -1.26 -4.60 113.70 107.53 3m4p s SER 204 Ca 0.03 1.04 0.18 0.00 0.70 0.00 0.00 55.95 57.90 3m4p s SER 204 Cb 0.09 1.00 0.71 0.00 -1.71 0.00 0.00 66.02 66.11 3m4p s SER 204 CO 0.51 -0.31 1.62 -1.20 1.20 0.00 0.00 173.24 175.06 3m4p n SER 205 N 1.99 4.72 -0.18 5.45 7.64 -1.26 -4.64 113.62 127.34 3m4p n SER 205 Ca -0.14 -2.48 -0.03 0.00 1.01 0.00 0.00 58.87 57.23 3m4p n SER 205 Cb 0.56 -0.57 0.07 0.00 -1.01 0.00 0.00 64.21 63.26 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 3.91 0.46 -0.82 1.43 4.15 -1.97 -2.16 115.11 120.11 3m4p h GLN 206 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3m4p h GLN 206 Cb 1.46 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 29.01 3m4p h GLN 206 CO 0.24 0.30 0.39 -0.07 -1.93 0.00 0.00 178.83 177.76 3m4p h LEU 207 N 0.47 1.09 -0.47 -2.39 4.07 -2.00 0.30 115.31 116.38 3m4p h LEU 207 Ca 0.26 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 3m4p h LEU 207 Cb 0.22 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3m4p h LEU 207 CO -0.21 0.92 0.08 1.88 -1.08 0.00 0.00 178.44 180.03 3m4p h TYR 208 N 1.17 0.82 -0.23 1.13 0.05 -1.82 -2.21 116.97 115.89 3m4p h TYR 208 Ca 0.28 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.97 3m4p h TYR 208 Cb 0.13 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3m4p h TYR 208 CO 0.01 0.76 0.08 -0.07 -1.05 0.00 0.00 178.16 177.90 3m4p h LEU 209 N 0.64 0.09 -1.35 3.88 3.38 -0.95 -2.43 115.31 118.57 3m4p h LEU 209 Ca 0.14 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.30 3m4p h LEU 209 Cb 0.38 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3m4p h LEU 209 CO 0.01 0.08 0.58 -0.33 0.09 0.00 0.00 178.44 178.87 3m4p h GLU 210 N 0.19 0.57 0.00 1.13 5.08 -0.74 -1.02 114.58 119.79 3m4p h GLU 210 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3m4p h GLU 210 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3m4p h GLU 210 CO -0.10 0.38 0.00 -1.13 -1.00 0.00 0.00 179.01 177.16 3m4p n SER 211 N -4.56 0.00 -0.02 1.42 3.41 -0.85 -3.82 113.62 109.20 3m4p n SER 211 Ca 0.18 -0.91 -0.03 0.00 -0.26 0.00 0.00 58.87 57.85 3m4p n SER 211 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3m4p n SER 211 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3m4p n VAL 212 N -0.99 0.31 -0.20 -3.33 0.31 -0.41 -4.72 118.33 109.30 3m4p n VAL 212 Ca 0.21 -0.16 0.25 0.00 -0.01 0.00 0.00 64.34 64.62 3m4p n VAL 212 Cb 0.10 -0.81 0.64 0.00 -0.91 0.00 0.00 33.84 32.86 3m4p n VAL 212 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3m4p h ILE 213 N 0.00 0.60 -0.07 2.52 3.07 -1.59 0.33 117.51 122.37 3m4p h ILE 213 Ca -0.12 -0.05 -0.03 0.00 1.55 0.00 0.00 64.86 66.21 3m4p h ILE 213 Cb 1.24 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 3m4p h ILE 213 CO -0.00 0.03 -0.07 0.00 -1.05 0.00 0.00 178.15 177.05 3m4p h ALA 214 N 1.59 1.75 0.00 0.16 0.00 -1.84 0.50 119.26 121.41 3m4p h ALA 214 Ca 0.44 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.02 3m4p h ALA 214 Cb 1.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3m4p h ALA 214 CO -0.08 0.19 -1.36 0.45 0.00 0.00 0.00 179.25 178.45 3m4p n SER 215 N -4.39 1.87 0.00 0.00 2.88 0.98 -4.67 113.62 110.30 3m4p n SER 215 Ca -0.02 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 58.08 3m4p n SER 215 Cb 0.19 -0.90 0.08 0.00 -0.75 0.00 0.00 64.21 62.82 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 -4.43 0.72 0.00 2.46 4.77 -0.13 -5.07 117.00 115.31 3m4p n LEU 216 Ca -0.31 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3m4p n LEU 216 Cb 0.63 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3m4p n LEU 216 CO 0.14 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3m4p n GLY 217 N 1.49 0.05 3.26 -0.72 0.00 0.17 -4.71 105.19 104.72 3m4p n GLY 217 Ca 0.05 -0.96 -0.59 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.26 118.16 115.19 3m4p n LYS 218 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3m4p n LYS 218 Cb 0.00 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 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 2.61 0.84 0.14 4.39 0.01 -1.03 -1.39 113.70 119.26 3m4p s SER 219 Ca 0.91 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 3m4p s SER 219 Cb -1.31 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.95 3m4p s SER 219 CO 0.71 -0.29 0.11 0.72 0.41 0.00 0.00 173.24 174.91 3m4p s PHE 220 N -1.98 0.76 0.06 2.43 -0.12 -0.53 -1.22 117.98 117.38 3m4p s PHE 220 Ca -0.05 -1.13 -0.18 0.00 -0.05 0.00 0.00 56.93 55.52 3m4p s PHE 220 Cb -0.06 -0.38 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 3m4p s PHE 220 CO -0.01 -0.57 0.42 0.00 -0.05 0.00 0.00 175.22 175.00 3m4p s MET 222 N -2.78 0.53 0.36 0.00 0.00 -1.26 -0.11 119.30 116.04 3m4p s MET 222 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 55.69 54.84 3m4p s MET 222 Cb -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 34.83 34.07 3m4p s MET 222 CO -0.05 -1.15 0.65 -0.48 0.00 0.00 0.00 175.02 174.00 3m4p s LEU 223 N 1.66 0.44 0.30 4.11 2.34 -1.15 -4.90 118.68 121.48 3m4p s LEU 223 Ca 0.15 -1.28 -0.30 0.00 0.06 0.00 0.00 54.13 52.76 3m4p s LEU 223 Cb -0.16 2.24 -0.11 0.00 -0.56 0.00 0.00 46.19 47.60 3m4p s LEU 223 CO -0.12 -1.51 1.58 -0.44 -1.06 0.00 0.00 176.35 174.80 3m4p s SER 224 N -3.14 6.37 0.26 1.48 0.01 -1.26 -0.49 113.70 116.93 3m4p s SER 224 Ca 0.22 2.96 0.11 0.00 1.31 0.00 0.00 55.95 60.55 3m4p s SER 224 Cb -0.03 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 3m4p s SER 224 CO 0.15 -0.91 -0.11 -0.44 0.41 0.00 0.00 173.24 172.34 3m4p s SER 225 N 0.41 4.05 -0.05 2.44 0.01 -0.64 -4.83 113.70 115.09 3m4p s SER 225 Ca 0.62 -0.81 0.03 0.00 1.31 0.00 0.00 55.95 57.10 3m4p s SER 225 Cb -0.48 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.19 3m4p s SER 225 CO 0.50 0.04 -0.15 -0.31 0.41 0.00 0.00 173.24 173.72 3m4p s TYR 226 N -2.30 1.61 -0.18 2.43 2.02 -0.12 -2.24 117.35 118.57 3m4p s TYR 226 Ca 0.29 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3m4p s TYR 226 Cb -0.06 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3m4p s TYR 226 CO 0.17 -0.21 -0.17 1.03 -1.57 0.00 0.00 175.55 174.80 3m4p s ARG 227 N 0.26 3.08 -0.04 -0.62 1.81 -0.55 -4.19 118.95 118.70 3m4p s ARG 227 Ca -0.08 -0.79 0.10 0.00 -1.72 0.00 0.00 55.73 53.24 3m4p s ARG 227 Cb -0.13 -2.63 0.36 0.00 -0.45 0.00 0.00 34.95 32.10 3m4p s ARG 227 CO 0.03 -0.16 1.23 0.00 -0.68 0.00 0.00 175.30 175.71 3m4p n ALA 228 N 4.53 2.71 -1.62 2.13 0.00 -0.54 -4.36 120.51 123.36 3m4p n ALA 228 Ca -0.20 -0.77 -0.46 0.00 0.00 0.00 0.00 53.44 52.01 3m4p n ALA 228 Cb 0.50 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3m4p n ALA 228 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3m4p n GLU 229 N 0.50 1.59 -3.30 0.00 0.28 -1.26 -4.75 120.64 113.70 3m4p n GLU 229 Ca 0.13 0.56 -0.41 0.00 -0.16 0.00 0.00 57.16 57.29 3m4p n GLU 229 Cb 0.47 -2.10 -0.02 0.00 1.43 0.00 0.00 31.44 31.22 3m4p n GLU 229 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3m4p n GLN 230 N 1.53 3.58 -3.64 3.44 6.02 -1.26 -4.89 117.38 122.16 3m4p n GLN 230 Ca 0.12 -4.52 -0.06 0.00 -0.01 0.00 0.00 57.00 52.53 3m4p n GLN 230 Cb 0.30 -2.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.00 3m4p n GLN 230 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3m4p s SER 231 N -0.38 -0.51 -0.02 1.08 0.15 -1.26 -5.07 113.70 107.69 3m4p s SER 231 Ca 0.31 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.88 3m4p s SER 231 Cb -0.02 1.06 0.12 0.00 -1.71 0.00 0.00 66.02 65.47 3m4p s SER 231 CO -0.02 -0.15 0.85 -2.11 1.20 0.00 0.00 173.24 173.01 3m4p n ARG 232 N 3.00 1.51 -1.36 5.44 0.00 -1.26 -4.85 116.66 119.14 3m4p n ARG 232 Ca -0.16 -0.49 -0.42 0.00 -0.00 0.00 0.00 57.85 56.79 3m4p n ARG 232 Cb 0.57 -1.43 -0.00 0.00 -0.00 0.00 0.00 32.46 31.60 3m4p n ARG 232 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3m4p n THR 233 N 0.01 1.14 -2.05 8.89 5.66 -1.26 -4.94 114.28 121.73 3m4p n THR 233 Ca 0.04 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.21 3m4p n THR 233 Cb 0.29 -0.18 0.02 0.00 -1.55 0.00 0.00 70.33 68.91 3m4p n THR 233 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3m4p s VAL 234 N -1.55 3.34 0.00 1.08 1.01 -1.26 -3.00 120.40 120.02 3m4p s VAL 234 Ca 0.61 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3m4p s VAL 234 Cb -0.65 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3m4p s VAL 234 CO 0.61 -0.29 0.00 0.54 0.00 0.00 0.00 175.10 175.95 3m4p n ARG 235 N -1.82 0.00 -3.86 2.72 3.00 -1.26 -4.99 116.66 110.44 3m4p n ARG 235 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.65 3m4p n ARG 235 Cb 0.52 -2.55 -0.16 0.00 0.00 0.00 0.00 32.46 30.27 3m4p n ARG 235 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3m4p s HIS 236 N -3.58 1.81 0.23 -1.55 4.02 -1.16 -5.00 115.29 110.06 3m4p s HIS 236 Ca 0.00 -1.34 0.06 0.00 1.02 0.00 0.00 55.06 54.81 3m4p s HIS 236 Cb 0.00 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.58 30.18 3m4p s HIS 236 CO 0.00 -0.69 0.19 -0.51 1.02 0.00 0.00 174.74 174.75 3m4p s LEU 237 N 1.59 3.83 0.25 0.89 1.43 -1.26 -4.70 118.68 120.71 3m4p s LEU 237 Ca -0.03 -0.21 0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3m4p s LEU 237 Cb -0.18 -2.38 0.19 0.00 0.03 0.00 0.00 46.19 43.85 3m4p s LEU 237 CO -0.07 -0.01 1.50 0.00 0.23 0.00 0.00 176.35 178.00 3m4p h ALA 238 N 1.70 0.72 -3.49 4.21 0.00 -0.95 -3.40 119.26 118.06 3m4p h ALA 238 Ca -0.48 -0.61 -0.43 0.00 0.00 0.00 0.00 54.91 53.39 3m4p h ALA 238 Cb 1.23 -0.11 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 3m4p h ALA 238 CO 0.61 0.83 -0.78 -2.00 0.00 0.00 0.00 179.25 177.91 3m4p s GLU 239 N -3.20 1.04 -0.02 0.00 2.12 -1.24 -1.48 118.70 115.92 3m4p s GLU 239 Ca 0.01 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.03 3m4p s GLU 239 Cb 0.11 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.54 3m4p s GLU 239 CO 0.76 -0.03 0.23 1.52 -0.54 0.00 0.00 175.26 177.20 3m4p s TYR 240 N 0.76 -0.11 -0.38 5.30 -0.85 -0.95 -4.63 117.35 116.49 3m4p s TYR 240 Ca -0.12 0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.32 3m4p s TYR 240 Cb -0.14 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.24 3m4p s TYR 240 CO 0.01 -0.30 1.50 -1.17 -1.52 0.00 0.00 175.55 174.07 3m4p s LEU 241 N -1.10 3.59 -0.44 -3.49 2.96 -1.26 -1.62 118.68 117.33 3m4p s LEU 241 Ca -0.12 0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 3m4p s LEU 241 Cb -0.06 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.20 3m4p s LEU 241 CO 0.02 -1.47 0.28 -2.28 -1.32 0.00 0.00 176.35 171.59 3m4p s HIS 242 N 5.68 3.41 -0.14 5.38 5.65 0.35 -2.87 115.29 132.74 3m4p s HIS 242 Ca 0.65 -1.80 -0.26 0.00 0.25 0.00 0.00 55.06 53.90 3m4p s HIS 242 Cb -0.16 -3.19 -0.02 0.00 -1.18 0.00 0.00 32.58 28.03 3m4p s HIS 242 CO 0.32 -0.92 0.87 -1.17 -0.65 0.00 0.00 174.74 173.19 3m4p s LEU 243 N 1.36 4.20 0.06 8.88 2.96 -0.90 -2.95 118.68 132.29 3m4p s LEU 243 Ca 0.05 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 3m4p s LEU 243 Cb -0.24 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3m4p s LEU 243 CO -0.00 -0.39 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.92 3m4p s GLU 244 N 2.02 0.66 0.04 1.98 2.02 0.84 0.23 118.70 126.50 3m4p s GLU 244 Ca 0.41 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.48 3m4p s GLU 244 Cb -0.17 -0.54 -0.00 0.00 0.10 0.00 0.00 34.13 33.52 3m4p s GLU 244 CO 0.14 0.11 0.15 0.00 0.02 0.00 0.00 175.26 175.69 3m4p s ALA 245 N -1.33 -0.23 0.01 5.21 0.00 -0.92 -0.47 121.76 124.03 3m4p s ALA 245 Ca -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 3m4p s ALA 245 Cb -0.10 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3m4p s ALA 245 CO 0.01 -0.34 -0.01 -2.00 0.00 0.00 0.00 175.76 173.42 3m4p s GLU 246 N -2.61 0.10 -0.09 0.00 2.56 -0.36 -1.77 118.70 116.53 3m4p s GLU 246 Ca -0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.97 54.75 3m4p s GLU 246 Cb -0.01 0.04 0.01 0.00 2.00 0.00 0.00 34.13 36.17 3m4p s GLU 246 CO -0.04 -0.02 -0.13 -0.51 -0.56 0.00 0.00 175.26 174.00 3m4p s LEU 247 N -0.46 1.64 0.54 2.70 1.02 0.45 -2.47 118.68 122.10 3m4p s LEU 247 Ca -0.05 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.61 3m4p s LEU 247 Cb -0.03 -0.97 -0.06 0.00 0.02 0.00 0.00 46.19 45.15 3m4p s LEU 247 CO -0.00 0.01 0.96 -2.16 0.02 0.00 0.00 176.35 175.18 3m4p s PRO 248 N 0.93 3.75 -0.96 1.29 0.04 -1.26 -2.15 135.00 136.65 3m4p s PRO 248 Ca -0.09 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 3m4p s PRO 248 Cb -0.15 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 3m4p s PRO 248 CO -0.00 -0.36 0.71 1.19 0.04 0.00 0.00 177.00 178.58 3m4p n PHE 249 N -2.08 -2.14 -4.16 0.56 3.72 -0.08 -4.95 117.46 108.32 3m4p n PHE 249 Ca 0.05 0.69 -0.10 0.00 -0.05 0.00 0.00 57.45 58.04 3m4p n PHE 249 Cb 0.54 -3.32 -0.10 0.00 -0.94 0.00 0.00 39.48 35.66 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 -3.22 0.17 0.46 4.37 -4.36 -1.13 -5.04 121.20 112.45 3m4p s ILE 250 Ca 0.23 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.76 3m4p s ILE 250 Cb -0.09 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 3m4p s ILE 250 CO 0.86 -0.44 0.36 -0.94 0.24 0.00 0.00 174.94 175.01 3m4p s SER 251 N -3.07 4.80 0.22 4.36 1.04 -1.26 -4.45 113.70 115.34 3m4p s SER 251 Ca 0.25 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 3m4p s SER 251 Cb 0.07 -0.24 0.30 0.00 0.10 0.00 0.00 66.02 66.26 3m4p s SER 251 CO 0.03 -0.78 1.79 0.15 0.98 0.00 0.00 173.24 175.40 3m4p h PHE 252 N 1.00 0.63 -0.69 5.02 3.57 -1.98 -2.32 116.94 122.18 3m4p h PHE 252 Ca -0.40 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 3m4p h PHE 252 Cb 1.27 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3m4p h PHE 252 CO 0.67 0.25 0.30 0.93 -2.23 0.00 0.00 178.31 178.23 3m4p h GLU 253 N 0.61 1.00 -0.48 1.11 4.39 -2.00 -2.13 114.58 117.08 3m4p h GLU 253 Ca 0.33 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3m4p h GLU 253 Cb 0.31 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3m4p h GLU 253 CO -0.24 0.79 0.31 -0.44 -1.16 0.00 0.00 179.01 178.27 3m4p h ASP 254 N 0.98 0.56 -0.42 1.42 3.32 -1.84 -2.07 116.42 118.37 3m4p h ASP 254 Ca 0.23 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.29 3m4p h ASP 254 Cb 0.15 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3m4p h ASP 254 CO -0.02 0.42 0.22 0.25 -1.72 0.00 0.00 179.24 178.39 3m4p h LEU 255 N 0.65 0.33 0.20 1.55 5.85 -0.91 0.21 115.31 123.18 3m4p h LEU 255 Ca 0.17 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3m4p h LEU 255 Cb -0.05 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3m4p h LEU 255 CO -0.04 0.24 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.14 3m4p h LEU 256 N 0.45 -0.23 -1.52 2.25 3.38 -1.26 -1.26 115.31 117.11 3m4p h LEU 256 Ca 0.18 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3m4p h LEU 256 Cb 0.07 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3m4p h LEU 256 CO -0.11 -0.04 0.53 0.78 0.09 0.00 0.00 178.44 179.68 3m4p h ASN 257 N -0.40 0.44 -0.11 -0.43 2.35 -1.26 -1.18 115.58 114.98 3m4p h ASN 257 Ca -0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3m4p h ASN 257 Cb 0.31 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3m4p h ASN 257 CO 0.05 0.22 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.29 3m4p h HIS 258 N 0.46 0.22 -0.50 1.19 -0.00 -0.50 -1.96 115.15 114.06 3m4p h HIS 258 Ca 0.39 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.69 3m4p h HIS 258 Cb 0.86 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 3m4p h HIS 258 CO -0.00 0.47 0.18 -0.07 -0.00 0.00 0.00 177.93 178.51 3m4p h LEU 259 N -0.10 0.65 -0.00 0.26 3.38 -0.68 0.39 115.31 119.22 3m4p h LEU 259 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m4p h LEU 259 Cb 0.40 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3m4p h LEU 259 CO 0.01 0.61 0.00 -0.33 0.09 0.00 0.00 178.44 178.82 3m4p h GLU 260 N 0.71 0.00 -0.72 1.13 5.08 -1.24 -1.10 114.58 118.44 3m4p h GLU 260 Ca 0.17 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3m4p h GLU 260 Cb 0.17 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3m4p h GLU 260 CO -0.01 0.02 0.33 0.22 -1.00 0.00 0.00 179.01 178.56 3m4p h ASP 261 N -0.01 0.96 0.94 1.42 3.58 -0.68 -1.54 116.42 121.09 3m4p h ASP 261 Ca 0.00 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 3m4p h ASP 261 Cb 0.02 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 40.83 3m4p h ASP 261 CO -0.00 0.84 -0.45 0.25 -2.88 0.00 0.00 179.24 177.00 3m4p h LEU 262 N 1.02 -1.07 -0.64 2.28 5.85 -0.14 -1.44 115.31 121.18 3m4p h LEU 262 Ca 0.25 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3m4p h LEU 262 Cb 0.15 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3m4p h LEU 262 CO -0.03 -0.74 0.06 0.58 -0.34 0.00 0.00 178.44 177.97 3m4p h VAL 263 N -1.30 1.26 -0.13 1.05 2.07 -1.17 -1.93 116.25 116.11 3m4p h VAL 263 Ca -0.13 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 3m4p h VAL 263 Cb 0.97 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3m4p h VAL 263 CO 0.21 0.40 -0.42 0.00 0.02 0.00 0.00 177.57 177.79 3m4p h THR 265 N 0.12 1.25 -0.06 0.00 2.02 -1.22 0.14 112.91 115.16 3m4p h THR 265 Ca -0.01 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3m4p h THR 265 Cb 1.04 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3m4p h THR 265 CO 0.09 0.31 0.01 0.58 0.37 0.00 0.00 175.52 176.88 3m4p h VAL 266 N 0.60 1.23 -0.81 3.16 2.07 -1.41 -1.91 116.25 119.19 3m4p h VAL 266 Ca 0.14 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3m4p h VAL 266 Cb 0.38 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3m4p h VAL 266 CO 0.01 0.19 0.44 0.40 0.02 0.00 0.00 177.57 178.63 3m4p h ILE 267 N -0.16 1.24 -0.41 4.57 2.04 -1.40 -1.91 117.51 121.47 3m4p h ILE 267 Ca 0.02 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3m4p h ILE 267 Cb 0.30 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3m4p h ILE 267 CO 0.00 0.27 0.21 0.44 0.00 0.00 0.00 178.15 179.07 3m4p h ASP 268 N 1.12 0.30 -0.30 1.72 5.19 -0.87 -1.01 116.42 122.57 3m4p h ASP 268 Ca 0.28 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.64 3m4p h ASP 268 Cb 0.03 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3m4p h ASP 268 CO -0.05 0.22 -0.07 0.78 -3.12 0.00 0.00 179.24 177.00 3m4p h ASN 269 N 0.42 0.68 -0.22 6.45 4.21 -1.04 1.00 115.58 127.07 3m4p h ASN 269 Ca 0.18 -0.18 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 3m4p h ASN 269 Cb 0.08 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 3m4p h ASN 269 CO -0.12 0.79 -0.06 0.58 -1.29 0.00 0.00 177.43 177.33 3m4p h VAL 270 N 0.64 1.29 -0.39 2.81 2.07 -1.14 -2.92 116.25 118.61 3m4p h VAL 270 Ca 0.12 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3m4p h VAL 270 Cb 0.50 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3m4p h VAL 270 CO 0.03 0.33 0.19 0.24 0.02 0.00 0.00 177.57 178.38 3m4p h MET 271 N 0.15 0.53 -0.39 1.57 2.86 -0.90 0.31 114.93 119.05 3m4p h MET 271 Ca 0.05 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3m4p h MET 271 Cb 0.52 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3m4p h MET 271 CO 0.02 0.41 0.26 0.00 1.06 0.00 0.00 176.91 178.67 3m4p h ALA 272 N 1.67 1.88 0.00 6.32 0.00 -0.61 0.37 119.26 128.90 3m4p h ALA 272 Ca 0.14 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.62 3m4p h ALA 272 Cb 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3m4p h ALA 272 CO -0.02 0.06 -2.47 0.28 0.00 0.00 0.00 179.25 177.10 3m4p n VAL 273 N -4.48 1.46 -0.95 0.00 0.31 -1.00 -4.70 118.33 108.97 3m4p n VAL 273 Ca 0.04 -0.47 0.09 0.00 -0.01 0.00 0.00 64.34 63.99 3m4p n VAL 273 Cb 0.18 -1.61 0.20 0.00 -0.91 0.00 0.00 33.84 31.69 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 -3.69 0.50 -0.10 3.52 8.25 0.10 -4.85 115.22 118.95 3m4p n HIS 274 Ca -0.49 -0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 55.98 3m4p n HIS 274 Cb 0.93 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.75 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 1.01 -1.29 0.67 -1.41 0.00 -0.34 -2.26 103.07 99.44 3m4p h GLY 275 Ca 0.00 0.75 0.06 0.00 0.00 0.00 0.00 47.33 48.14 3m4p h GLY 275 CO 0.11 -0.30 0.30 -0.55 0.00 0.00 0.00 176.54 176.10 3m4p h ASP 276 N -0.28 0.43 -0.57 0.19 3.32 -1.89 -1.46 116.42 116.16 3m4p h ASP 276 Ca 0.05 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3m4p h ASP 276 Cb 0.42 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3m4p h ASP 276 CO -0.42 0.28 0.32 0.50 -1.72 0.00 0.00 179.24 178.20 3m4p h LYS 277 N 0.57 0.59 -0.25 3.56 3.64 -1.90 -2.49 116.57 120.28 3m4p h LYS 277 Ca 0.27 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.44 3m4p h LYS 277 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3m4p h LYS 277 CO -0.19 0.39 -0.52 0.82 -2.27 0.00 0.00 179.45 177.68 3m4p h ILE 278 N 0.61 1.30 -0.22 2.00 2.04 -0.79 -2.39 117.51 120.05 3m4p h ILE 278 Ca 0.25 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 3m4p h ILE 278 Cb 0.12 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3m4p h ILE 278 CO -0.15 0.55 0.11 0.03 0.00 0.00 0.00 178.15 178.69 3m4p h ARG 279 N 0.56 0.29 -0.04 2.37 3.08 -1.10 0.31 114.38 119.85 3m4p h ARG 279 Ca 0.02 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3m4p h ARG 279 Cb 1.09 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3m4p h ARG 279 CO 0.11 0.23 -0.82 -0.22 -1.07 0.00 0.00 179.97 178.20 3m4p h LYS 280 N 0.30 0.36 0.00 0.04 3.64 -1.18 -2.33 116.57 117.39 3m4p h LYS 280 Ca 0.08 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 3m4p h LYS 280 Cb 0.03 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3m4p h LYS 280 CO -0.01 1.00 -0.63 0.52 -2.27 0.00 0.00 179.45 178.06 3m4p h MET 281 N 0.22 0.00 -2.55 1.90 2.86 -0.91 -3.39 114.93 113.06 3m4p h MET 281 Ca -0.05 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.00 3m4p h MET 281 Cb 1.42 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.69 3m4p h MET 281 CO 0.14 0.63 -0.88 1.21 1.06 0.00 0.00 176.91 179.07 3m4p s ASN 282 N -6.63 2.29 0.32 1.22 2.47 0.10 -4.80 114.94 109.91 3m4p s ASN 282 Ca 0.01 -3.18 0.02 0.00 0.42 0.00 0.00 52.86 50.12 3m4p s ASN 282 Cb 0.11 -0.71 0.58 0.00 -1.45 0.00 0.00 41.25 39.77 3m4p s ASN 282 CO 0.75 -0.16 1.94 1.55 -3.72 0.00 0.00 177.10 177.46 3m4p h PRO 283 N 5.69 0.93 -0.99 0.43 0.13 -1.64 -2.87 132.00 133.69 3m4p h PRO 283 Ca 0.22 -0.06 -0.31 0.00 -0.87 0.00 0.00 66.00 64.99 3m4p h PRO 283 Cb 0.88 -0.21 -0.18 0.00 0.13 0.00 0.00 31.00 31.62 3m4p h PRO 283 CO 0.44 0.62 0.39 0.72 -0.23 0.00 0.00 178.00 179.94 3m4p n HIS 284 N -4.47 1.87 -2.46 1.56 8.25 -1.26 -4.91 115.22 113.81 3m4p n HIS 284 Ca 0.11 -1.30 -0.42 0.00 -0.26 0.00 0.00 57.72 55.86 3m4p n HIS 284 Cb 0.16 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 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 -2.02 4.38 -0.28 2.41 2.96 -1.08 -5.02 118.68 120.03 3m4p s LEU 285 Ca 0.35 1.98 -0.02 0.00 -0.22 0.00 0.00 54.13 56.22 3m4p s LEU 285 Cb 0.29 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.44 3m4p s LEU 285 CO 0.07 -0.43 -0.02 -1.59 -1.32 0.00 0.00 176.35 173.05 3m4p s LYS 286 N 0.97 2.70 0.34 1.98 -2.85 -1.26 -5.10 119.74 116.51 3m4p s LYS 286 Ca 0.57 -1.08 -0.28 0.00 -1.00 0.00 0.00 55.97 54.18 3m4p s LYS 286 Cb -0.29 -3.11 -0.10 0.00 -2.06 0.00 0.00 37.83 32.28 3m4p s LYS 286 CO 0.29 -0.50 1.24 -0.51 0.10 0.00 0.00 175.35 175.98 3m4p s LEU 287 N 1.32 4.40 0.09 2.77 1.43 -1.26 -4.95 118.68 122.48 3m4p s LEU 287 Ca -0.02 2.55 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 3m4p s LEU 287 Cb -0.18 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 3m4p s LEU 287 CO -0.02 -0.51 1.32 -2.16 0.23 0.00 0.00 176.35 175.21 3m4p s PRO 288 N -1.84 4.36 0.12 1.29 0.04 -1.26 -5.01 135.00 132.69 3m4p s PRO 288 Ca 0.50 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.47 3m4p s PRO 288 Cb -0.37 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 3m4p s PRO 288 CO 0.48 -0.37 0.32 -0.08 0.04 0.00 0.00 177.00 177.39 3m4p s THR 289 N 1.11 5.24 -0.09 1.26 -1.32 -1.26 -5.02 115.64 115.56 3m4p s THR 289 Ca 0.62 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 3m4p s THR 289 Cb -0.34 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.00 3m4p s THR 289 CO 0.30 0.07 -0.08 -0.60 -2.21 0.00 0.00 174.62 172.10 3m4p s ARG 290 N -2.61 2.93 0.63 7.08 3.52 -1.26 -4.08 118.95 125.16 3m4p s ARG 290 Ca 0.39 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 55.32 3m4p s ARG 290 Cb -0.12 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 3m4p s ARG 290 CO 0.26 0.56 1.01 -1.25 -0.81 0.00 0.00 175.30 175.06 3m4p s PRO 291 N -0.52 3.30 0.46 5.12 0.04 -1.26 -5.15 135.00 137.00 3m4p s PRO 291 Ca 0.08 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.43 3m4p s PRO 291 Cb -0.12 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3m4p s PRO 291 CO 0.02 -0.68 1.01 -0.06 0.04 0.00 0.00 177.00 177.33 3m4p s PHE 292 N -3.17 3.10 0.23 0.56 0.40 -1.26 -5.00 117.98 112.85 3m4p s PHE 292 Ca 0.55 1.59 -0.30 0.00 -0.60 0.00 0.00 56.93 58.17 3m4p s PHE 292 Cb -0.11 -3.01 -0.10 0.00 0.51 0.00 0.00 43.02 40.31 3m4p s PHE 292 CO 0.51 -0.61 1.42 0.21 0.70 0.00 0.00 175.22 177.45 3m4p s LYS 293 N -3.16 4.29 -0.18 0.44 2.20 -1.21 -4.85 119.74 117.26 3m4p s LYS 293 Ca 0.65 2.25 -0.04 0.00 -0.36 0.00 0.00 55.97 58.48 3m4p s LYS 293 Cb -0.15 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3m4p s LYS 293 CO 0.19 -0.40 -0.03 1.03 -0.36 0.00 0.00 175.35 175.77 3m4p s ARG 294 N -0.20 3.56 -0.03 4.03 0.52 -1.26 -0.18 118.95 125.38 3m4p s ARG 294 Ca 0.60 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3m4p s ARG 294 Cb -0.41 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.12 3m4p s ARG 294 CO 0.41 0.05 0.02 1.41 0.02 0.00 0.00 175.30 177.21 3m4p s MET 295 N 0.86 0.15 0.63 3.54 1.75 -0.17 -4.98 119.30 121.08 3m4p s MET 295 Ca -0.01 0.16 -0.12 0.00 -1.25 0.00 0.00 55.69 54.47 3m4p s MET 295 Cb -0.14 -0.44 -0.03 0.00 2.84 0.00 0.00 34.83 37.06 3m4p s MET 295 CO 0.02 -0.18 1.04 0.95 -0.65 0.00 0.00 175.02 176.19 3m4p s THR 296 N 1.26 4.36 0.28 10.11 -4.23 -1.26 -0.87 115.64 125.29 3m4p s THR 296 Ca -0.07 0.85 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 3m4p s THR 296 Cb -0.13 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.35 3m4p s THR 296 CO -0.03 -0.92 1.83 0.22 -0.54 0.00 0.00 174.62 175.19 3m4p h TYR 297 N -0.21 1.13 -0.38 3.99 3.20 -1.06 0.12 116.97 123.75 3m4p h TYR 297 Ca -0.45 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.52 3m4p h TYR 297 Cb 1.20 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 39.06 3m4p h TYR 297 CO 0.64 0.44 0.06 0.00 -1.64 0.00 0.00 178.16 177.66 3m4p h ALA 298 N 1.54 0.40 -0.94 1.82 0.00 -1.84 -2.11 119.26 118.12 3m4p h ALA 298 Ca 0.49 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3m4p h ALA 298 Cb 0.49 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3m4p h ALA 298 CO -0.27 -0.34 0.58 -0.44 0.00 0.00 0.00 179.25 178.78 3m4p h ASP 299 N 0.18 1.12 -0.62 0.00 3.32 -1.22 -1.77 116.42 117.43 3m4p h ASP 299 Ca 0.18 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3m4p h ASP 299 Cb 0.23 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3m4p h ASP 299 CO -0.26 0.85 0.16 0.00 -1.72 0.00 0.00 179.24 178.27 3m4p h ALA 300 N 1.35 0.81 0.29 3.45 0.00 -0.66 0.30 119.26 124.79 3m4p h ALA 300 Ca 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m4p h ALA 300 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3m4p h ALA 300 CO -0.07 0.51 -0.14 0.82 0.00 0.00 0.00 179.25 180.38 3m4p h ILE 301 N 0.90 0.74 -0.75 0.00 1.08 -1.13 -0.02 117.51 118.33 3m4p h ILE 301 Ca 0.20 -0.17 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 3m4p h ILE 301 Cb 0.34 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 34.84 3m4p h ILE 301 CO -0.00 0.04 0.37 0.50 -0.69 0.00 0.00 178.15 178.36 3m4p h LYS 302 N -0.47 0.57 -0.22 2.37 3.64 -1.15 -1.36 116.57 119.96 3m4p h LYS 302 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3m4p h LYS 302 Cb 0.36 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3m4p h LYS 302 CO 0.06 0.38 0.10 -0.92 -2.27 0.00 0.00 179.45 176.80 3m4p h TYR 303 N 0.59 0.31 -0.51 1.91 3.20 -0.23 -0.58 116.97 121.67 3m4p h TYR 303 Ca 0.38 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.20 3m4p h TYR 303 Cb 0.46 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3m4p h TYR 303 CO -0.11 0.33 0.18 0.00 -1.64 0.00 0.00 178.16 176.92 3m4p h ASN 305 N 0.73 0.02 -0.18 0.00 2.35 -1.21 -3.27 115.58 114.02 3m4p h ASN 305 Ca 0.17 -0.71 0.05 0.00 -0.55 0.00 0.00 56.30 55.26 3m4p h ASN 305 Cb 0.18 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3m4p h ASN 305 CO -0.01 0.72 0.19 0.44 -1.65 0.00 0.00 177.43 177.12 3m4p h ASP 306 N -0.69 0.00 0.00 5.81 3.32 -0.91 -3.51 116.42 120.44 3m4p h ASP 306 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m4p h ASP 306 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3m4p h ASP 306 CO 0.00 0.00 -0.46 1.41 -1.72 0.00 0.00 179.24 178.48 3m4p n HIS 307 N -3.86 0.00 -3.78 4.55 8.25 -0.49 -5.08 115.22 114.81 3m4p n HIS 307 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 3m4p n HIS 307 Cb 0.31 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 3m4p n HIS 307 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m4p s ASP 313 N -1.58 5.24 -0.86 0.41 1.11 -1.26 -5.00 116.67 114.73 3m4p s ASP 313 Ca 0.00 -1.53 0.00 0.00 0.18 0.00 0.00 52.55 51.20 3m4p s ASP 313 Cb 0.02 -1.83 0.22 0.00 1.07 0.00 0.00 42.92 42.39 3m4p s ASP 313 CO 0.09 -0.42 0.77 1.17 1.18 0.00 0.00 175.17 177.96 3m4p n LYS 314 N 4.71 2.58 -2.30 8.23 3.00 -1.26 -5.04 118.16 128.08 3m4p n LYS 314 Ca -0.09 -4.50 -0.40 0.00 -0.00 0.00 0.00 58.31 53.32 3m4p n LYS 314 Cb 0.43 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.05 3m4p n LYS 314 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3m4p s PRO 315 N -1.56 2.97 0.86 1.64 0.04 -1.26 -4.97 135.00 132.73 3m4p s PRO 315 Ca 0.28 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.47 3m4p s PRO 315 Cb -0.04 -4.26 0.12 0.00 0.04 0.00 0.00 34.50 30.35 3m4p s PRO 315 CO -0.12 -2.36 1.13 -0.06 0.04 0.00 0.00 177.00 175.63 3m4p s PHE 316 N 7.23 1.91 -0.06 0.56 0.08 -1.26 -5.07 117.98 121.37 3m4p s PHE 316 Ca 0.52 1.72 -0.09 0.00 0.12 0.00 0.00 56.93 59.20 3m4p s PHE 316 Cb -0.11 -3.27 0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3m4p s PHE 316 CO 0.19 -2.51 0.23 -2.00 -0.10 0.00 0.00 175.22 171.03 3m4p s GLU 317 N -4.68 0.37 0.32 0.44 2.12 -1.26 -4.93 118.70 111.08 3m4p s GLU 317 Ca 0.66 0.13 -0.28 0.00 0.36 0.00 0.00 54.97 55.84 3m4p s GLU 317 Cb -0.21 0.17 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 3m4p s GLU 317 CO 0.57 -0.07 1.26 0.98 -0.54 0.00 0.00 175.26 177.46 3m4p n TYR 318 N 2.46 2.12 0.00 5.30 9.36 -1.26 -1.77 117.16 133.37 3m4p n TYR 318 Ca -0.16 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.63 3m4p n TYR 318 Cb 0.58 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 3m4p n TYR 318 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3m4p n GLY 319 N 0.96 2.48 3.76 2.98 0.00 -1.26 -5.07 105.19 109.03 3m4p n GLY 319 Ca 0.06 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 4.56 0.22 1.61 2.02 -0.73 -4.93 118.70 121.46 3m4p s GLU 320 Ca 0.00 1.72 -0.30 0.00 0.02 0.00 0.00 54.97 56.42 3m4p s GLU 320 Cb 0.00 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.08 3m4p s GLU 320 CO 0.00 0.17 1.05 0.34 0.02 0.00 0.00 175.26 176.84 3m4p s ASP 321 N -1.03 7.37 -0.72 -0.19 2.15 -1.26 -4.95 116.67 118.03 3m4p s ASP 321 Ca 0.47 2.10 -0.23 0.00 0.43 0.00 0.00 52.55 55.32 3m4p s ASP 321 Cb -0.30 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 39.78 3m4p s ASP 321 CO 0.38 -0.10 1.07 -0.63 -0.17 0.00 0.00 175.17 175.72 3m4p s ILE 322 N -0.76 4.21 1.06 4.11 1.01 -1.26 -5.03 121.20 124.54 3m4p s ILE 322 Ca 0.46 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 3m4p s ILE 322 Cb -0.29 -4.76 0.22 0.00 0.01 0.00 0.00 42.46 37.64 3m4p s ILE 322 CO 0.36 -1.57 1.08 -0.44 0.00 0.00 0.00 174.94 174.37 3m4p s SER 323 N 3.75 1.78 0.28 3.58 0.01 -1.26 -4.75 113.70 117.10 3m4p s SER 323 Ca 0.27 1.87 -0.02 0.00 1.31 0.00 0.00 55.95 59.38 3m4p s SER 323 Cb -0.13 -2.46 0.41 0.00 0.21 0.00 0.00 66.02 64.05 3m4p s SER 323 CO 0.09 -3.76 1.88 1.05 0.41 0.00 0.00 173.24 172.91 3m4p h GLU 324 N -2.32 0.96 0.08 12.44 4.11 -1.98 -2.39 114.58 125.47 3m4p h GLU 324 Ca -0.53 -0.13 0.01 0.00 0.07 0.00 0.00 59.36 58.78 3m4p h GLU 324 Cb 1.30 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3m4p h GLU 324 CO 0.45 0.75 -0.12 0.87 0.07 0.00 0.00 179.01 181.03 3m4p h LYS 325 N 0.95 -0.24 -0.79 1.06 1.57 -2.00 0.12 116.57 117.25 3m4p h LYS 325 Ca 0.23 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3m4p h LYS 325 Cb 0.11 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3m4p h LYS 325 CO -0.03 -0.16 0.52 -1.35 -0.57 0.00 0.00 179.45 177.87 3m4p h PRO 326 N -0.24 0.91 0.30 3.15 0.11 -1.92 -2.70 132.00 131.60 3m4p h PRO 326 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3m4p h PRO 326 Cb 0.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3m4p h PRO 326 CO -0.06 0.60 -0.15 1.49 -0.21 0.00 0.00 178.00 179.68 3m4p h GLU 327 N 0.94 -0.39 -0.50 1.05 4.81 -0.56 0.31 114.58 120.24 3m4p h GLU 327 Ca 0.33 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 3m4p h GLU 327 Cb 0.11 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3m4p h GLU 327 CO -0.10 -0.17 0.33 -0.09 -0.73 0.00 0.00 179.01 178.25 3m4p h ARG 328 N -0.55 0.64 -0.11 1.92 2.43 -0.87 -0.74 114.38 117.10 3m4p h ARG 328 Ca -0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3m4p h ARG 328 Cb 0.41 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3m4p h ARG 328 CO 0.07 0.42 -0.01 0.37 -1.51 0.00 0.00 179.97 179.31 3m4p h GLN 329 N 0.66 0.20 -0.86 0.20 4.15 -1.20 0.59 115.11 118.85 3m4p h GLN 329 Ca 0.19 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3m4p h GLN 329 Cb -0.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3m4p h GLN 329 CO -0.04 0.48 0.42 1.98 -1.93 0.00 0.00 178.83 179.74 3m4p h MET 330 N -0.10 1.23 -0.11 1.69 4.05 -0.64 -2.07 114.93 118.98 3m4p h MET 330 Ca 0.03 -0.17 -0.24 0.00 -0.28 0.00 0.00 59.70 59.04 3m4p h MET 330 Cb 0.40 -0.22 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3m4p h MET 330 CO 0.01 0.93 -0.86 1.15 0.23 0.00 0.00 176.91 178.37 3m4p h THR 331 N 1.22 1.27 -0.58 -0.77 2.02 -1.10 -2.26 112.91 112.71 3m4p h THR 331 Ca 0.30 -2.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.39 3m4p h THR 331 Cb 0.10 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3m4p h THR 331 CO -0.04 0.65 0.22 0.44 0.37 0.00 0.00 175.52 177.16 3m4p h ASP 332 N 0.50 0.77 0.28 4.18 3.45 -0.78 0.44 116.42 125.26 3m4p h ASP 332 Ca -0.08 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 3m4p h ASP 332 Cb 1.50 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3m4p h ASP 332 CO 0.18 0.70 -0.14 -0.33 -1.57 0.00 0.00 179.24 178.08 3m4p h GLU 333 N 0.83 -0.37 -0.74 3.56 5.08 -1.34 -3.18 114.58 118.42 3m4p h GLU 333 Ca 0.20 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3m4p h GLU 333 Cb 0.17 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3m4p h GLU 333 CO -0.02 -0.03 0.49 0.82 -1.00 0.00 0.00 179.01 179.27 3m4p h ILE 334 N -0.78 1.13 0.00 3.13 2.04 -1.33 -3.46 117.51 118.23 3m4p h ILE 334 Ca -0.04 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3m4p h ILE 334 Cb 0.51 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3m4p h ILE 334 CO 0.06 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.99 3m4p n GLY 335 N -1.43 0.66 3.66 5.37 0.00 0.14 -5.04 105.19 108.54 3m4p n GLY 335 Ca 0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3m4p n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4p n PRO 337 N -0.42 1.54 -3.73 0.00 -0.02 -1.26 -4.54 135.00 126.58 3m4p n PRO 337 Ca -0.10 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.77 3m4p n PRO 337 Cb 0.62 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.70 3m4p n PRO 337 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m4p s ILE 338 N -1.27 -0.09 -0.21 4.25 1.01 -0.06 -3.35 121.20 121.48 3m4p s ILE 338 Ca 0.64 0.30 -0.28 0.00 0.00 0.00 0.00 60.65 61.32 3m4p s ILE 338 Cb -0.51 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 41.83 3m4p s ILE 338 CO 0.56 0.13 0.99 -0.36 0.00 0.00 0.00 174.94 176.25 3m4p s PHE 339 N 1.56 3.37 -0.30 3.97 0.08 0.75 0.04 117.98 127.45 3m4p s PHE 339 Ca -0.03 1.43 -0.08 0.00 0.12 0.00 0.00 56.93 58.37 3m4p s PHE 339 Cb -0.12 -3.21 -0.00 0.00 -0.57 0.00 0.00 43.02 39.11 3m4p s PHE 339 CO -0.03 -0.41 0.11 1.41 -0.10 0.00 0.00 175.22 176.20 3m4p s MET 340 N 2.89 3.28 0.31 0.44 1.75 0.19 -1.00 119.30 127.17 3m4p s MET 340 Ca 0.43 -0.74 0.07 0.00 -1.25 0.00 0.00 55.69 54.20 3m4p s MET 340 Cb -0.16 -3.46 -0.06 0.00 2.84 0.00 0.00 34.83 34.00 3m4p s MET 340 CO 0.08 -0.40 -0.05 0.96 -0.65 0.00 0.00 175.02 174.97 3m4p s ILE 341 N 1.57 1.72 -1.02 10.11 -4.36 -0.05 -1.03 121.20 128.14 3m4p s ILE 341 Ca 0.04 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 3m4p s ILE 341 Cb -0.17 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 3m4p s ILE 341 CO 0.04 -0.23 0.81 1.41 0.24 0.00 0.00 174.94 177.22 3m4p n HIS 342 N -0.66 -2.29 -1.69 1.37 8.25 -1.02 -0.73 115.22 118.45 3m4p n HIS 342 Ca -0.05 0.73 -0.31 0.00 -0.26 0.00 0.00 57.72 57.83 3m4p n HIS 342 Cb 0.64 -3.73 0.04 0.00 1.12 0.00 0.00 29.99 28.06 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 3.15 0.47 4.41 0.08 -1.25 -4.02 117.98 117.49 3m4p s PHE 343 Ca 0.36 1.43 -0.23 0.00 0.12 0.00 0.00 56.93 58.60 3m4p s PHE 343 Cb -0.09 -2.88 -0.07 0.00 -0.57 0.00 0.00 43.02 39.40 3m4p s PHE 343 CO 0.80 -1.14 1.21 -2.14 -0.10 0.00 0.00 175.22 173.86 3m4p s PRO 344 N -4.87 3.65 0.15 0.24 0.02 -1.26 -0.30 135.00 132.63 3m4p s PRO 344 Ca 0.59 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 3m4p s PRO 344 Cb -0.14 -2.41 0.03 0.00 0.02 0.00 0.00 34.50 32.01 3m4p s PRO 344 CO 0.51 -0.67 1.77 0.77 -0.33 0.00 0.00 177.00 179.06 3m4p h SER 345 N 1.99 0.25 -0.51 2.53 0.02 -0.21 -1.40 113.55 116.21 3m4p h SER 345 Ca -0.50 0.02 0.15 0.00 -0.84 0.00 0.00 61.79 60.62 3m4p h SER 345 Cb 1.26 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3m4p h SER 345 CO 0.60 0.19 0.46 0.11 -1.14 0.00 0.00 176.83 177.05 3m4p h LYS 346 N 0.36 0.00 0.00 3.45 6.56 -1.93 -1.83 116.57 123.18 3m4p h LYS 346 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 3m4p h LYS 346 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 3m4p h LYS 346 CO -0.11 0.00 -0.90 -0.12 -2.06 0.00 0.00 179.45 176.26 3m4p n MET 347 N -3.95 0.45 -4.59 3.15 0.00 -0.55 -4.99 117.12 106.64 3m4p n MET 347 Ca 0.10 0.08 -0.27 0.00 0.00 0.00 0.00 57.70 57.61 3m4p n MET 347 Cb 0.67 -1.74 -0.10 0.00 0.00 0.00 0.00 33.22 32.05 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 -3.28 1.91 0.83 2.12 -0.14 -0.69 -5.01 119.74 115.48 3m4p s LYS 348 Ca 0.02 -2.11 -0.11 0.00 -1.36 0.00 0.00 55.97 52.41 3m4p s LYS 348 Cb 0.12 -1.32 0.10 0.00 -1.68 0.00 0.00 37.83 35.04 3m4p s LYS 348 CO 0.77 -0.17 1.15 0.00 -0.76 0.00 0.00 175.35 176.33 3m4p s ALA 349 N -2.94 1.84 0.42 5.17 0.00 -1.26 -4.93 121.76 120.05 3m4p s ALA 349 Ca 0.30 0.59 0.23 0.00 0.00 0.00 0.00 51.96 53.08 3m4p s ALA 349 Cb 0.08 -3.41 1.29 0.00 0.00 0.00 0.00 23.12 21.08 3m4p s ALA 349 CO 0.15 -2.28 2.03 0.27 0.00 0.00 0.00 175.76 175.93 3m4p h PHE 350 N -1.26 0.00 -0.00 0.00 -5.15 -1.95 -3.07 116.94 105.51 3m4p h PHE 350 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3m4p h PHE 350 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3m4p h PHE 350 CO 0.51 0.15 -0.09 2.48 -2.00 0.00 0.00 178.31 179.37 3m4p n TYR 351 N -3.82 0.00 -2.78 6.09 0.18 -1.26 -4.87 117.16 110.70 3m4p n TYR 351 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 3m4p n TYR 351 Cb 0.25 -0.30 -0.03 0.00 -0.38 0.00 0.00 39.34 38.88 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 -2.70 4.47 0.40 -3.48 -1.94 -1.16 -1.13 119.30 113.75 3m4p s MET 352 Ca 0.23 1.27 -0.25 0.00 -1.71 0.00 0.00 55.69 55.23 3m4p s MET 352 Cb 0.20 -3.49 -0.09 0.00 2.01 0.00 0.00 34.83 33.45 3m4p s MET 352 CO 0.51 -0.14 1.09 -1.54 -0.01 0.00 0.00 175.02 174.93 3m4p s SER 353 N 1.02 6.67 0.54 3.03 1.04 -0.83 -4.69 113.70 120.48 3m4p s SER 353 Ca 0.47 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.99 3m4p s SER 353 Cb -0.19 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 3m4p s SER 353 CO 0.22 -0.56 0.86 -0.54 0.98 0.00 0.00 173.24 174.20 3m4p s LYS 354 N -2.40 3.39 -0.10 4.02 -0.14 -1.26 -0.60 119.74 122.66 3m4p s LYS 354 Ca 0.57 0.25 -0.28 0.00 -1.36 0.00 0.00 55.97 55.16 3m4p s LYS 354 Cb -0.25 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 3m4p s LYS 354 CO 0.32 -0.40 0.93 0.08 -0.76 0.00 0.00 175.35 175.52 3m4p s VAL 355 N -2.89 4.85 0.02 3.17 1.01 -0.71 -4.62 120.40 121.23 3m4p s VAL 355 Ca 0.50 1.89 -0.34 0.00 0.00 0.00 0.00 61.98 64.04 3m4p s VAL 355 Cb -0.10 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.90 3m4p s VAL 355 CO 0.47 0.06 1.74 -2.65 0.00 0.00 0.00 175.10 174.72 3m4p n PRO 356 N 4.75 2.15 0.00 2.72 -0.02 -1.26 -0.99 135.00 142.34 3m4p n PRO 356 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3m4p n PRO 356 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3m4p n PRO 356 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4p n GLY 357 N 3.95 2.95 2.72 -1.23 0.00 -1.26 -4.93 105.19 107.39 3m4p n GLY 357 Ca 0.20 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3m4p n GLY 357 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m4p n HIS 358 N 0.00 2.65 0.30 1.61 8.25 -0.16 -4.95 115.22 122.91 3m4p n HIS 358 Ca 0.00 -4.13 0.17 0.00 -0.26 0.00 0.00 57.72 53.50 3m4p n HIS 358 Cb 0.00 -0.49 0.90 0.00 1.12 0.00 0.00 29.99 31.52 3m4p n HIS 358 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3m4p h PRO 359 N 5.13 0.00 0.00 -0.41 0.11 -1.92 -1.15 132.00 133.76 3m4p h PRO 359 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3m4p h PRO 359 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3m4p h PRO 359 CO 0.69 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.86 3m4p h ASP 360 N 0.00 0.00 -2.98 -2.05 2.03 -1.92 -3.45 116.42 108.05 3m4p h ASP 360 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 3m4p h ASP 360 Cb 0.31 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.72 3m4p h ASP 360 CO 0.00 0.00 -0.60 -0.76 -1.03 0.00 0.00 179.24 176.85 3m4p s LEU 361 N -5.59 3.73 0.19 0.15 1.43 -0.43 0.53 118.68 118.69 3m4p s LEU 361 Ca 0.06 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3m4p s LEU 361 Cb 0.08 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3m4p s LEU 361 CO 0.58 0.12 0.11 0.42 0.23 0.00 0.00 176.35 177.82 3m4p s THR 362 N -1.56 4.27 -1.33 5.49 -4.23 0.59 -1.73 115.64 117.14 3m4p s THR 362 Ca 0.29 -1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 3m4p s THR 362 Cb -0.11 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.65 3m4p s THR 362 CO 0.22 -0.17 2.02 -0.62 -0.54 0.00 0.00 174.62 175.53 3m4p n GLU 363 N -0.50 3.51 -4.41 3.99 1.02 0.24 -3.72 120.64 120.76 3m4p n GLU 363 Ca -0.08 -3.27 -0.26 0.00 -0.02 0.00 0.00 57.16 53.52 3m4p n GLU 363 Cb 0.56 -2.99 -0.11 0.00 -0.02 0.00 0.00 31.44 28.88 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 1.40 3.60 -0.12 1.62 1.04 -1.26 -1.33 113.70 118.64 3m4p s SER 364 Ca 0.43 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 3m4p s SER 364 Cb 0.11 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.95 3m4p s SER 364 CO -0.03 0.10 0.27 0.54 0.98 0.00 0.00 173.24 175.11 3m4p s VAL 365 N -1.83 -0.16 -0.20 5.02 0.11 -0.25 -2.43 120.40 120.66 3m4p s VAL 365 Ca 0.23 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.44 3m4p s VAL 365 Cb -0.08 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3m4p s VAL 365 CO 0.12 0.08 -0.08 -1.81 -3.33 0.00 0.00 175.10 170.07 3m4p s ASP 366 N 1.65 4.09 -0.30 3.54 1.01 -0.20 -0.87 116.67 125.60 3m4p s ASP 366 Ca -0.06 -0.42 -0.25 0.00 0.71 0.00 0.00 52.55 52.53 3m4p s ASP 366 Cb -0.11 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.15 3m4p s ASP 366 CO -0.09 0.01 0.88 -0.22 0.21 0.00 0.00 175.17 175.96 3m4p s LEU 367 N 1.26 4.05 -0.17 1.23 2.96 0.44 -0.63 118.68 127.82 3m4p s LEU 367 Ca 0.03 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 3m4p s LEU 367 Cb -0.14 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 3m4p s LEU 367 CO -0.03 -0.67 0.00 -0.76 -1.32 0.00 0.00 176.35 173.57 3m4p s LEU 368 N 3.12 3.43 -0.09 -0.68 1.43 0.11 -1.52 118.68 124.48 3m4p s LEU 368 Ca 0.36 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3m4p s LEU 368 Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3m4p s LEU 368 CO 0.12 0.15 -0.16 -0.32 0.23 0.00 0.00 176.35 176.37 3m4p s MET 369 N 0.46 2.94 0.23 1.70 1.75 -0.54 -0.88 119.30 124.97 3m4p s MET 369 Ca -0.01 -0.74 -0.31 0.00 -1.25 0.00 0.00 55.69 53.37 3m4p s MET 369 Cb -0.14 -2.44 -0.14 0.00 2.84 0.00 0.00 34.83 34.95 3m4p s MET 369 CO 0.02 0.37 1.37 -2.30 -0.65 0.00 0.00 175.02 173.82 3m4p n PRO 370 N 3.04 1.90 0.00 4.11 -0.02 -1.26 -0.82 135.00 141.96 3m4p n PRO 370 Ca -0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3m4p n PRO 370 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.10 2.86 0.04 -1.23 0.00 -1.26 -4.65 105.19 103.05 3m4p n GLY 371 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.43 3m4p n GLY 371 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3m4p n VAL 372 N 0.00 0.54 -3.45 1.61 0.24 -1.19 -5.08 118.33 111.01 3m4p n VAL 372 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3m4p n VAL 372 Cb 0.00 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 3m4p n VAL 372 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m4p n GLY 373 N 1.60 0.39 3.63 7.63 0.00 0.00 -4.88 105.19 113.56 3m4p n GLY 373 Ca -0.15 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 3.83 -0.07 1.61 2.12 -1.26 -1.46 118.70 123.47 3m4p s GLU 374 Ca 0.00 1.88 0.15 0.00 0.36 0.00 0.00 54.97 57.36 3m4p s GLU 374 Cb 0.00 -4.07 -0.23 0.00 0.26 0.00 0.00 34.13 30.09 3m4p s GLU 374 CO 0.00 -1.27 0.25 0.44 -0.54 0.00 0.00 175.26 174.14 3m4p n ILE 375 N 6.30 0.37 -4.18 -3.70 -5.35 -0.57 -4.92 119.36 107.31 3m4p n ILE 375 Ca 0.20 -0.47 -0.16 0.00 -0.27 0.00 0.00 62.75 62.05 3m4p n ILE 375 Cb 0.44 -0.13 -0.14 0.00 -1.74 0.00 0.00 39.64 38.07 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 -2.87 0.48 -0.05 7.28 1.01 -1.20 -1.51 120.40 123.55 3m4p s VAL 376 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3m4p s VAL 376 Cb 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.06 3m4p s VAL 376 CO 0.66 0.06 -0.03 -0.83 0.00 0.00 0.00 175.10 174.96 3m4p s GLY 377 N -0.34 0.44 0.34 4.51 0.00 -0.82 -0.42 107.32 111.02 3m4p s GLY 377 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 3m4p s GLY 377 CO -0.00 0.62 0.47 -0.32 0.00 0.00 0.00 173.10 173.88 3m4p s GLY 378 N 1.18 1.42 0.04 0.20 0.00 -0.05 -1.37 107.32 108.75 3m4p s GLY 378 Ca -0.07 -1.47 -0.28 0.00 0.00 0.00 0.00 44.72 42.90 3m4p s GLY 378 CO -0.01 -0.97 0.93 -1.35 0.00 0.00 0.00 173.10 171.69 3m4p s SER 379 N -3.22 -0.29 0.40 1.64 1.04 -0.82 -1.09 113.70 111.35 3m4p s SER 379 Ca 0.30 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 3m4p s SER 379 Cb -0.00 0.40 -0.10 0.00 0.10 0.00 0.00 66.02 66.41 3m4p s SER 379 CO 0.19 -0.69 0.90 -0.04 0.98 0.00 0.00 173.24 174.59 3m4p s MET 380 N -3.13 4.21 0.15 4.02 -1.94 -0.44 -2.28 119.30 119.89 3m4p s MET 380 Ca 0.08 1.04 0.07 0.00 -1.71 0.00 0.00 55.69 55.16 3m4p s MET 380 Cb -0.01 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 3m4p s MET 380 CO -0.05 0.03 -0.01 1.03 -0.01 0.00 0.00 175.02 176.01 3m4p s ARG 381 N -3.05 2.40 0.05 2.03 1.81 -0.41 -1.96 118.95 119.82 3m4p s ARG 381 Ca 0.59 -1.06 -0.31 0.00 -1.72 0.00 0.00 55.73 53.24 3m4p s ARG 381 Cb -0.10 -2.38 -0.08 0.00 -0.45 0.00 0.00 34.95 31.94 3m4p s ARG 381 CO 0.15 0.47 1.65 0.42 -0.68 0.00 0.00 175.30 177.31 3m4p s ILE 382 N -1.61 3.11 -0.14 1.52 1.01 -0.29 -4.50 121.20 120.31 3m4p s ILE 382 Ca 0.27 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3m4p s ILE 382 Cb -0.10 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.10 3m4p s ILE 382 CO 0.18 -0.01 1.05 -2.67 0.00 0.00 0.00 174.94 173.49 3m4p n TRP 383 N 5.76 0.08 -3.65 3.97 4.27 -1.26 -4.91 117.44 121.71 3m4p n TRP 383 Ca 0.16 -0.52 -0.36 0.00 -3.89 0.00 0.00 57.50 52.88 3m4p n TRP 383 Cb 0.41 -0.05 -0.09 0.00 -1.36 0.00 0.00 31.31 30.21 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 -1.08 6.15 0.12 -0.67 3.84 -1.26 -4.67 114.94 117.37 3m4p s ASN 384 Ca 0.05 0.15 -0.24 0.00 0.21 0.00 0.00 52.86 53.03 3m4p s ASN 384 Cb 0.03 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.57 3m4p s ASN 384 CO 0.03 0.07 1.65 0.22 -2.79 0.00 0.00 177.10 176.27 3m4p h TYR 385 N 7.43 -0.54 -0.56 0.43 3.20 -1.93 -1.43 116.97 123.58 3m4p h TYR 385 Ca -0.38 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.43 3m4p h TYR 385 Cb 1.17 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 3m4p h TYR 385 CO 0.66 -0.29 0.03 -0.44 -1.64 0.00 0.00 178.16 176.48 3m4p h ASP 386 N -0.31 0.90 -0.94 -2.11 3.32 -1.95 -0.06 116.42 115.26 3m4p h ASP 386 Ca 0.07 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.93 3m4p h ASP 386 Cb 0.41 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 3m4p h ASP 386 CO -0.22 0.94 0.61 -0.08 -1.72 0.00 0.00 179.24 178.78 3m4p h GLU 387 N 0.87 1.15 0.09 3.56 4.81 -1.92 0.24 114.58 123.37 3m4p h GLU 387 Ca 0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3m4p h GLU 387 Cb 0.47 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3m4p h GLU 387 CO 0.02 0.76 -0.04 1.25 -0.73 0.00 0.00 179.01 180.27 3m4p h LEU 388 N 1.18 -0.10 -1.58 1.64 5.85 -0.60 -0.12 115.31 121.58 3m4p h LEU 388 Ca 0.38 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3m4p h LEU 388 Cb 0.01 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3m4p h LEU 388 CO -0.12 0.18 0.19 0.24 -0.34 0.00 0.00 178.44 178.59 3m4p h MET 389 N -0.39 0.47 -0.44 1.25 2.86 -0.76 -1.05 114.93 116.88 3m4p h MET 389 Ca -0.01 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 3m4p h MET 389 Cb 0.33 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3m4p h MET 389 CO 0.02 0.35 -0.26 0.78 1.06 0.00 0.00 176.91 178.86 3m4p h GLY 390 N 0.55 1.01 0.88 8.32 0.00 -0.44 -2.96 103.07 110.44 3m4p h GLY 390 Ca 0.13 -0.93 0.02 0.00 0.00 0.00 0.00 47.33 46.54 3m4p h GLY 390 CO -0.02 0.84 0.07 0.00 0.00 0.00 0.00 176.54 177.43 3m4p h ALA 391 N 0.89 0.21 -0.61 3.60 0.00 0.22 -2.33 119.26 121.25 3m4p h ALA 391 Ca 0.09 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3m4p h ALA 391 Cb 0.84 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3m4p h ALA 391 CO 0.07 -0.36 0.18 1.88 0.00 0.00 0.00 179.25 181.02 3m4p h TYR 392 N 0.17 0.30 0.30 0.00 0.05 -1.33 -2.44 116.97 114.01 3m4p h TYR 392 Ca 0.08 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3m4p h TYR 392 Cb 0.04 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3m4p h TYR 392 CO -0.11 0.03 -0.16 -0.22 -1.05 0.00 0.00 178.16 176.65 3m4p h LYS 393 N 0.33 -0.41 -1.01 4.88 1.63 -1.29 -2.01 116.57 118.69 3m4p h LYS 393 Ca 0.32 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.17 3m4p h LYS 393 Cb 0.44 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.11 3m4p h LYS 393 CO -0.36 -0.27 0.66 0.00 -3.45 0.00 0.00 179.45 176.03 3m4p h ALA 394 N 0.27 1.33 -0.06 5.00 0.00 -1.23 0.50 119.26 125.08 3m4p h ALA 394 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3m4p h ALA 394 Cb 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3m4p h ALA 394 CO 0.05 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.98 3m4p n ASN 395 N -4.43 0.42 -2.37 0.00 4.13 -0.94 -4.91 115.26 107.17 3m4p n ASN 395 Ca 0.13 -1.67 -0.18 0.00 1.68 0.00 0.00 54.58 54.54 3m4p n ASN 395 Cb 0.08 -0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.27 3m4p n ASN 395 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m4p n GLY 396 N 0.79 -0.38 3.83 7.41 0.00 0.17 -4.98 105.19 112.02 3m4p n GLY 396 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.81 4.04 -0.25 0.99 1.43 -0.96 -5.05 118.68 113.07 3m4p s LEU 397 Ca 0.00 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 3m4p s LEU 397 Cb 0.00 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3m4p s LEU 397 CO 0.00 0.22 1.10 0.21 0.23 0.00 0.00 176.35 178.12 3m4p s ASN 398 N -2.10 7.00 0.00 2.29 2.47 -1.26 -4.58 114.94 118.75 3m4p s ASN 398 Ca 0.28 1.32 0.28 0.00 0.42 0.00 0.00 52.86 55.15 3m4p s ASN 398 Cb -0.12 -2.54 1.03 0.00 -1.45 0.00 0.00 41.25 38.16 3m4p s ASN 398 CO 0.20 -0.78 1.73 -0.81 -3.72 0.00 0.00 177.10 173.72 3m4p n PRO 399 N 6.60 1.15 -0.15 0.43 -0.04 -1.26 -4.34 135.00 137.39 3m4p n PRO 399 Ca 0.12 -0.60 -0.11 0.00 -0.04 0.00 0.00 63.50 62.87 3m4p n PRO 399 Cb 0.46 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.47 0.87 0.31 3.54 5.19 -2.02 -2.64 116.42 123.13 3m4p h ASP 400 Ca 0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3m4p h ASP 400 Cb 0.45 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3m4p h ASP 400 CO 0.00 1.04 0.00 -0.65 -3.12 0.00 0.00 179.24 176.51 3m4p h PRO 401 N 0.69 0.00 -0.82 3.56 0.11 -2.01 -3.03 132.00 130.50 3m4p h PRO 401 Ca 0.11 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.77 3m4p h PRO 401 Cb 0.66 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.51 3m4p h PRO 401 CO 0.05 0.00 0.45 0.66 -0.21 0.00 0.00 178.00 178.94 3m4p n TYR 402 N -2.82 2.56 -0.24 0.65 4.01 -0.99 -4.69 117.16 115.65 3m4p n TYR 402 Ca -0.01 -1.91 0.04 0.00 -0.16 0.00 0.00 57.90 55.85 3m4p n TYR 402 Cb 0.13 -0.86 0.16 0.00 -0.31 0.00 0.00 39.34 38.46 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 1.12 0.44 0.00 -0.72 -0.00 -1.61 0.21 116.97 116.41 3m4p h TYR 403 Ca 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 58.73 59.27 3m4p h TYR 403 Cb 2.33 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 38.97 3m4p h TYR 403 CO 1.42 0.05 -0.08 0.11 -0.00 0.00 0.00 178.16 179.67 3m4p h TRP 404 N 0.41 0.00 0.08 0.10 5.08 -1.90 0.17 115.95 119.88 3m4p h TRP 404 Ca 0.38 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 60.10 3m4p h TRP 404 Cb 0.56 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 3m4p h TRP 404 CO -0.18 0.08 -1.29 -0.92 -1.28 0.00 0.00 178.44 174.85 3m4p h TYR 405 N 0.00 0.30 -0.71 0.12 3.20 -1.50 -3.37 116.97 115.01 3m4p h TYR 405 Ca -0.00 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.60 3m4p h TYR 405 Cb 0.42 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3m4p h TYR 405 CO 0.00 1.50 0.25 1.15 -1.64 0.00 0.00 178.16 179.42 3m4p h THR 406 N -0.50 1.25 0.00 1.81 2.02 -0.41 -2.86 112.91 114.22 3m4p h THR 406 Ca -0.29 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3m4p h THR 406 Cb 1.60 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3m4p h THR 406 CO -0.01 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.22 3m4p n GLN 407 N -4.31 0.16 0.16 6.66 6.02 0.56 -1.63 117.38 125.00 3m4p n GLN 407 Ca 0.05 0.51 0.04 0.00 -0.01 0.00 0.00 57.00 57.59 3m4p n GLN 407 Cb 0.21 -1.89 0.44 0.00 1.02 0.00 0.00 30.24 30.03 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 0.14 0.00 -1.09 1.08 -1.67 -1.63 115.11 111.94 3m4p h GLN 408 Ca 0.00 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 3m4p h GLN 408 Cb 0.20 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3m4p h GLN 408 CO 0.00 0.28 -0.33 0.00 -0.95 0.00 0.00 178.83 177.84 3m4p h ARG 409 N 0.13 0.00 0.04 1.46 -0.00 -1.48 -3.20 114.38 111.33 3m4p h ARG 409 Ca 0.03 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.44 3m4p h ARG 409 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.31 3m4p h ARG 409 CO 0.02 0.33 -0.27 -0.22 0.00 0.00 0.00 179.97 179.82 3m4p h LYS 410 N 0.00 0.11 -3.43 0.04 3.64 -1.40 -3.39 116.57 112.15 3m4p h LYS 410 Ca -0.00 -0.18 -0.71 0.00 -1.27 0.00 0.00 60.65 58.49 3m4p h LYS 410 Cb 1.04 0.06 -0.35 0.00 -0.41 0.00 0.00 32.23 32.58 3m4p h LYS 410 CO 0.04 1.05 -0.17 0.71 -2.27 0.00 0.00 179.45 178.81 3m4p s TYR 411 N -2.45 3.72 0.00 1.91 2.02 -0.81 -4.71 117.35 117.02 3m4p s TYR 411 Ca -0.17 -2.87 0.00 0.00 -0.37 0.00 0.00 57.07 53.67 3m4p s TYR 411 Cb -0.01 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 3m4p s TYR 411 CO 0.74 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 3m4p n GLY 412 N 2.81 0.74 3.74 0.71 0.00 -1.26 -4.89 105.19 107.05 3m4p n GLY 412 Ca 0.16 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.80 4.78 0.03 1.61 0.15 -1.21 -5.00 113.70 111.27 3m4p s SER 413 Ca 0.00 2.32 -0.04 0.00 0.70 0.00 0.00 55.95 58.93 3m4p s SER 413 Cb 0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3m4p s SER 413 CO 0.00 -1.87 0.06 0.00 1.20 0.00 0.00 173.24 172.63 3m4p s PRO 415 N -2.30 4.28 0.19 0.00 0.04 -1.26 -4.78 135.00 131.16 3m4p s PRO 415 Ca -0.08 2.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 3m4p s PRO 415 Cb -0.03 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 3m4p s PRO 415 CO -0.03 -0.55 0.31 -3.38 0.04 0.00 0.00 177.00 173.38 3m4p s HIS 416 N 1.84 0.54 0.02 0.56 -3.43 -1.26 -0.90 115.29 112.67 3m4p s HIS 416 Ca 0.66 -0.88 -0.27 0.00 -0.80 0.00 0.00 55.06 53.77 3m4p s HIS 416 Cb -0.36 -0.09 0.09 0.00 -1.43 0.00 0.00 32.58 30.79 3m4p s HIS 416 CO 0.29 -0.78 0.76 0.20 -2.00 0.00 0.00 174.74 173.21 3m4p s GLY 417 N -3.02 -0.52 0.00 -1.38 0.00 -0.91 -1.29 107.32 100.20 3m4p s GLY 417 Ca 0.23 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.99 3m4p s GLY 417 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.27 3m4p n GLY 418 N 0.10 3.19 3.56 0.20 0.00 -0.97 -0.41 105.19 110.87 3m4p n GLY 418 Ca -0.14 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.54 -0.37 0.07 1.61 -0.85 -0.73 -1.95 117.35 110.59 3m4p s TYR 419 Ca 0.00 0.13 0.08 0.00 -0.52 0.00 0.00 57.07 56.76 3m4p s TYR 419 Cb 0.00 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 3m4p s TYR 419 CO 0.00 -0.81 -0.23 0.20 -1.52 0.00 0.00 175.55 173.20 3m4p s GLY 420 N -2.72 1.26 -0.01 5.49 0.00 -0.47 -2.17 107.32 108.70 3m4p s GLY 420 Ca 0.05 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.61 3m4p s GLY 420 CO -0.07 -1.13 -0.10 -2.27 0.00 0.00 0.00 173.10 169.53 3m4p s LEU 421 N -1.46 1.96 -0.65 0.66 0.20 0.14 -1.95 118.68 117.58 3m4p s LEU 421 Ca 0.09 -0.19 -0.19 0.00 0.69 0.00 0.00 54.13 54.53 3m4p s LEU 421 Cb -0.09 -0.56 0.11 0.00 -0.43 0.00 0.00 46.19 45.22 3m4p s LEU 421 CO 0.03 0.11 0.77 -0.83 -0.29 0.00 0.00 176.35 176.14 3m4p s GLY 422 N -0.13 1.81 0.18 7.98 0.00 -0.57 -2.11 107.32 114.50 3m4p s GLY 422 Ca 0.02 -2.32 -0.13 0.00 0.00 0.00 0.00 44.72 42.29 3m4p s GLY 422 CO -0.00 1.64 1.83 -2.08 0.00 0.00 0.00 173.10 174.49 3m4p h VAL 423 N 5.84 1.09 -0.13 1.40 2.07 -1.85 -0.43 116.25 124.24 3m4p h VAL 423 Ca -0.22 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 3m4p h VAL 423 Cb 1.08 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3m4p h VAL 423 CO 1.09 0.13 -0.60 1.05 0.02 0.00 0.00 177.57 179.26 3m4p h GLU 424 N 0.71 0.44 -0.64 1.57 9.09 -1.92 -0.95 114.58 122.88 3m4p h GLU 424 Ca 0.22 -0.29 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3m4p h GLU 424 Cb -0.01 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.10 3m4p h GLU 424 CO -0.08 0.90 0.42 0.00 0.05 0.00 0.00 179.01 180.30 3m4p h ARG 425 N 0.33 0.85 -0.18 1.06 3.08 -1.84 0.16 114.38 117.85 3m4p h ARG 425 Ca -0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3m4p h ARG 425 Cb 1.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3m4p h ARG 425 CO 0.10 0.57 -0.28 1.25 -1.07 0.00 0.00 179.97 180.55 3m4p h LEU 426 N 0.87 0.55 -0.60 3.04 6.46 -0.60 -2.54 115.31 122.49 3m4p h LEU 426 Ca 0.24 -0.53 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 3m4p h LEU 426 Cb -0.09 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 3m4p h LEU 426 CO -0.05 0.97 0.28 0.58 -0.62 0.00 0.00 178.44 179.60 3m4p h VAL 427 N 0.14 1.21 -0.88 1.05 2.07 -0.90 -1.03 116.25 117.92 3m4p h VAL 427 Ca 0.02 -0.62 0.19 0.00 0.82 0.00 0.00 66.70 67.11 3m4p h VAL 427 Cb 0.85 0.52 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 3m4p h VAL 427 CO 0.06 0.25 0.42 -0.03 0.02 0.00 0.00 177.57 178.29 3m4p h MET 428 N 0.81 0.49 0.38 1.57 1.85 -0.70 -0.77 114.93 118.57 3m4p h MET 428 Ca 0.20 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.25 3m4p h MET 428 Cb 0.13 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.06 3m4p h MET 428 CO -0.02 0.32 -0.18 2.35 -0.40 0.00 0.00 176.91 178.98 3m4p h TRP 429 N 0.51 -0.47 -0.39 1.39 7.01 -0.89 -1.09 115.95 122.01 3m4p h TRP 429 Ca 0.52 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.55 3m4p h TRP 429 Cb 0.88 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.06 3m4p h TRP 429 CO -0.11 -0.15 0.16 1.25 -2.79 0.00 0.00 178.44 176.80 3m4p h LEU 430 N -0.97 0.20 -0.01 0.65 5.85 -0.99 -2.09 115.31 117.95 3m4p h LEU 430 Ca -0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3m4p h LEU 430 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3m4p h LEU 430 CO 0.09 0.15 -0.17 0.18 -0.34 0.00 0.00 178.44 178.35 3m4p n LEU 431 N -4.98 0.18 -2.71 2.25 4.77 -0.31 -4.83 117.00 111.36 3m4p n LEU 431 Ca 0.02 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3m4p n LEU 431 Cb 0.12 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3m4p n LEU 431 CO 0.28 0.04 0.10 0.61 -1.33 0.00 0.00 177.39 177.09 3m4p n GLY 432 N 1.49 -0.12 3.85 -0.72 0.00 -0.66 -4.22 105.19 104.80 3m4p n GLY 432 Ca 0.07 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.15 3.71 0.44 1.61 2.56 -0.50 -4.94 118.70 116.43 3m4p s GLU 433 Ca 0.08 0.10 0.25 0.00 0.00 0.00 0.00 54.97 55.40 3m4p s GLU 433 Cb -0.04 -3.22 0.80 0.00 2.00 0.00 0.00 34.13 33.67 3m4p s GLU 433 CO 0.52 0.70 1.77 0.38 -0.56 0.00 0.00 175.26 178.06 3m4p h ASP 434 N 5.02 0.00 -4.21 -1.70 2.03 -1.95 -3.45 116.42 112.16 3m4p h ASP 434 Ca -0.52 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.47 3m4p h ASP 434 Cb 1.22 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.46 3m4p h ASP 434 CO 0.61 0.17 -0.75 -1.00 -1.03 0.00 0.00 179.24 177.24 3m4p s HIS 435 N -3.48 0.55 0.35 4.15 3.76 -1.26 -5.02 115.29 114.33 3m4p s HIS 435 Ca 0.02 -0.24 0.23 0.00 -0.15 0.00 0.00 55.06 54.93 3m4p s HIS 435 Cb 0.09 -0.34 1.16 0.00 1.11 0.00 0.00 32.58 34.59 3m4p s HIS 435 CO 0.64 -0.03 1.96 0.97 -0.85 0.00 0.00 174.74 177.42 3m4p h ILE 436 N 4.83 0.74 -0.06 0.60 2.10 -1.94 -2.45 117.51 121.32 3m4p h ILE 436 Ca -0.31 -0.83 -0.06 0.00 1.08 0.00 0.00 64.86 64.74 3m4p h ILE 436 Cb 1.20 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 3m4p h ILE 436 CO 0.47 0.20 -0.24 0.08 -1.08 0.00 0.00 178.15 177.58 3m4p h ARG 437 N 0.00 0.10 0.00 2.19 0.11 -1.96 -2.38 114.38 112.44 3m4p h ARG 437 Ca -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3m4p h ARG 437 Cb 0.50 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3m4p h ARG 437 CO 0.03 0.34 0.00 1.63 0.10 0.00 0.00 179.97 182.06 3m4p n LYS 438 N -4.22 0.05 0.00 0.08 5.02 -0.92 -2.84 118.16 115.33 3m4p n LYS 438 Ca -0.02 0.21 0.10 0.00 -2.02 0.00 0.00 58.31 56.59 3m4p n LYS 438 Cb 0.32 -1.50 0.00 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 -1.45 0.00 -4.09 -0.18 0.31 -0.89 -4.95 118.33 107.07 3m4p n VAL 439 Ca 0.05 -0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 3m4p n VAL 439 Cb 0.16 1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 34.32 3m4p n VAL 439 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m4p n LEU 441 N -1.10 1.41 -3.91 0.00 7.94 -1.26 -4.68 117.00 115.40 3m4p n LEU 441 Ca -0.08 0.30 -0.30 0.00 -1.11 0.00 0.00 56.01 54.82 3m4p n LEU 441 Cb 0.57 -0.07 -0.14 0.00 0.53 0.00 0.00 43.42 44.31 3m4p n LEU 441 CO 0.43 -0.07 -0.18 -0.31 -1.11 0.00 0.00 177.39 176.14 3m4p s TYR 442 N -0.66 3.01 0.73 1.96 2.02 -1.26 -4.98 117.35 118.17 3m4p s TYR 442 Ca 0.00 -3.07 -0.12 0.00 -0.37 0.00 0.00 57.07 53.51 3m4p s TYR 442 Cb 0.00 -2.67 0.03 0.00 -0.40 0.00 0.00 41.96 38.92 3m4p s TYR 442 CO 0.00 -0.74 1.10 -1.25 -1.57 0.00 0.00 175.55 173.09 3m4p s PRO 443 N -0.25 2.47 -0.10 -1.71 0.04 -1.26 -4.92 135.00 129.26 3m4p s PRO 443 Ca 0.17 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.50 3m4p s PRO 443 Cb -0.25 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3m4p s PRO 443 CO -0.01 -1.49 -0.22 1.03 0.04 0.00 0.00 177.00 176.35 3m4p s ARG 444 N -4.60 3.02 0.27 4.56 1.81 -1.26 -4.71 118.95 118.04 3m4p s ARG 444 Ca 0.63 -0.84 -0.20 0.00 -1.72 0.00 0.00 55.73 53.60 3m4p s ARG 444 Cb -0.18 -2.34 0.06 0.00 -0.45 0.00 0.00 34.95 32.03 3m4p s ARG 444 CO 0.50 0.23 0.89 1.52 -0.68 0.00 0.00 175.30 177.77 3m4p s TYR 445 N 0.23 0.03 -0.36 -0.53 -0.85 -1.12 -0.44 117.35 114.31 3m4p s TYR 445 Ca -0.14 -0.53 -0.40 0.00 -0.52 0.00 0.00 57.07 55.48 3m4p s TYR 445 Cb -0.17 0.75 -0.15 0.00 0.38 0.00 0.00 41.96 42.77 3m4p s TYR 445 CO 0.07 -1.21 1.93 -0.11 -1.52 0.00 0.00 175.55 174.72 3m4p n LEU 446 N -0.57 1.95 0.00 -3.49 7.94 -1.26 -0.22 117.00 121.35 3m4p n LEU 446 Ca -0.06 0.82 0.00 0.00 -1.11 0.00 0.00 56.01 55.67 3m4p n LEU 446 Cb 0.60 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.43 3m4p n LEU 446 CO 0.21 -0.60 0.00 -0.62 -1.11 0.00 0.00 177.39 175.27 3m4p n GLU 447 N 6.47 0.00 -3.64 1.96 -0.58 -1.26 -4.91 120.64 118.68 3m4p n GLU 447 Ca 0.36 0.32 -0.25 0.00 -0.42 0.00 0.00 57.16 57.17 3m4p n GLU 447 Cb 0.11 -3.47 -0.17 0.00 -0.57 0.00 0.00 31.44 27.34 3m4p n GLU 447 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3m4p s ARG 448 N -1.28 0.13 -0.08 3.49 3.52 0.69 -4.97 118.95 120.46 3m4p s ARG 448 Ca 0.00 -0.03 0.12 0.00 -0.13 0.00 0.00 55.73 55.69 3m4p s ARG 448 Cb 0.00 -1.58 0.21 0.00 -1.56 0.00 0.00 34.95 32.02 3m4p s ARG 448 CO 0.00 -0.59 1.11 0.00 -0.81 0.00 0.00 175.30 175.01 3m4p s GLU 450 N -1.55 0.37 0.00 0.00 2.12 -1.26 -5.11 118.70 113.28 3m4p s GLU 450 Ca 0.21 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3m4p s GLU 450 Cb 0.20 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.74 3m4p s GLU 450 CO -0.01 -0.08 0.46 -2.30 -0.54 0.00 0.00 175.26 172.78