#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df4 s PHE 3 N 0.00 -0.35 -0.16 -1.40 -0.00 -1.26 -0.34 117.98 114.47 2df4 s PHE 3 Ca 0.00 0.83 -0.03 0.00 -0.00 0.00 0.00 56.93 57.74 2df4 s PHE 3 Cb 0.00 0.39 -0.02 0.00 -0.00 0.00 0.00 43.02 43.39 2df4 s PHE 3 CO 0.00 -0.17 -0.07 -1.83 -0.00 0.00 0.00 175.22 173.16 2df4 s GLU 4 N 0.27 3.55 -0.36 1.99 -1.05 -1.05 -4.87 118.70 117.18 2df4 s GLU 4 Ca 0.03 -0.58 -0.23 0.00 -0.15 0.00 0.00 54.97 54.04 2df4 s GLU 4 Cb -0.05 -2.84 0.01 0.00 -0.44 0.00 0.00 34.13 30.81 2df4 s GLU 4 CO -0.10 0.18 0.77 0.95 0.95 0.00 0.00 175.26 178.01 2df4 s THR 5 N 0.50 4.75 -0.13 1.83 -4.23 -1.26 -2.65 115.64 114.45 2df4 s THR 5 Ca -0.05 0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 61.15 2df4 s THR 5 Cb -0.15 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.45 2df4 s THR 5 CO 0.03 -0.42 0.44 -0.69 -0.54 0.00 0.00 174.62 173.44 2df4 s VAL 6 N 3.06 5.21 -0.06 2.29 1.01 0.78 -4.48 120.40 128.22 2df4 s VAL 6 Ca 0.31 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 2df4 s VAL 6 Cb -0.13 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2df4 s VAL 6 CO 0.17 0.34 0.20 0.27 0.00 0.00 0.00 175.10 176.07 2df4 s ILE 7 N 0.62 0.02 0.12 2.22 -4.36 -1.17 -0.36 121.20 118.28 2df4 s ILE 7 Ca 0.24 -0.19 0.04 0.00 -0.26 0.00 0.00 60.65 60.48 2df4 s ILE 7 Cb -0.15 -0.35 -0.04 0.00 1.25 0.00 0.00 42.46 43.17 2df4 s ILE 7 CO 0.09 -0.10 -0.10 -0.83 0.24 0.00 0.00 174.94 174.24 2df4 s GLY 8 N -0.33 0.92 -0.14 6.27 0.00 0.43 -3.91 107.32 110.56 2df4 s GLY 8 Ca -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.36 2df4 s GLY 8 CO 0.01 -1.42 -0.18 1.08 0.00 0.00 0.00 173.10 172.59 2df4 s LEU 9 N -2.80 1.91 -0.48 0.66 1.43 -1.26 -0.62 118.68 117.52 2df4 s LEU 9 Ca 0.11 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2df4 s LEU 9 Cb 0.00 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.98 2df4 s LEU 9 CO -0.00 0.01 0.53 -0.70 0.23 0.00 0.00 176.35 176.42 2df4 s GLU 10 N 1.14 3.09 -0.14 1.70 2.12 0.37 -2.20 118.70 124.77 2df4 s GLU 10 Ca -0.01 -0.96 -0.01 0.00 0.36 0.00 0.00 54.97 54.35 2df4 s GLU 10 Cb -0.14 -4.08 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 2df4 s GLU 10 CO -0.07 -1.09 -0.11 0.08 -0.54 0.00 0.00 175.26 173.53 2df4 s VAL 11 N 2.29 3.15 0.01 3.70 1.01 -0.27 -1.26 120.40 129.02 2df4 s VAL 11 Ca 0.12 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2df4 s VAL 11 Cb -0.20 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2df4 s VAL 11 CO 0.11 0.51 0.02 -1.00 0.00 0.00 0.00 175.10 174.74 2df4 s HIS 12 N 0.50 3.12 -0.01 5.22 3.76 -0.88 0.65 115.29 127.66 2df4 s HIS 12 Ca -0.08 0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2df4 s HIS 12 Cb -0.15 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2df4 s HIS 12 CO 0.04 0.49 -0.11 0.08 -0.85 0.00 0.00 174.74 174.39 2df4 s VAL 13 N -1.14 0.86 -0.42 -0.90 1.01 -0.83 -1.68 120.40 117.30 2df4 s VAL 13 Ca 0.21 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.53 2df4 s VAL 13 Cb -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2df4 s VAL 13 CO 0.12 0.24 0.60 -1.61 0.00 0.00 0.00 175.10 174.45 2df4 s GLU 14 N -0.24 3.29 0.15 2.72 2.02 -1.07 -2.23 118.70 123.35 2df4 s GLU 14 Ca 0.04 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2df4 s GLU 14 Cb -0.04 -3.94 -0.07 0.00 0.10 0.00 0.00 34.13 30.18 2df4 s GLU 14 CO -0.00 -0.94 1.15 -0.51 0.02 0.00 0.00 175.26 174.97 2df4 s LEU 15 N 2.66 4.45 -1.07 1.80 1.02 -1.07 -4.49 118.68 121.99 2df4 s LEU 15 Ca 0.21 2.11 -0.13 0.00 0.02 0.00 0.00 54.13 56.34 2df4 s LEU 15 Cb -0.15 -3.60 0.20 0.00 0.02 0.00 0.00 46.19 42.67 2df4 s LEU 15 CO 0.17 -0.32 1.17 -1.59 0.02 0.00 0.00 176.35 175.81 2df4 s LYS 16 N -0.01 3.96 0.36 1.70 -2.85 -0.89 -4.72 119.74 117.30 2df4 s LYS 16 Ca 0.52 -2.62 0.08 0.00 -1.00 0.00 0.00 55.97 52.95 2df4 s LYS 16 Cb -0.30 -4.78 -0.03 0.00 -2.06 0.00 0.00 37.83 30.66 2df4 s LYS 16 CO 0.34 -1.53 0.30 0.95 0.10 0.00 0.00 175.35 175.51 2df4 s THR 17 N 0.67 3.19 0.03 3.79 -4.23 -1.26 -4.97 115.64 112.86 2df4 s THR 17 Ca 0.33 -1.40 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2df4 s THR 17 Cb -0.07 -3.10 -0.17 0.00 1.34 0.00 0.00 72.50 70.50 2df4 s THR 17 CO -0.06 -0.12 1.34 0.44 -0.54 0.00 0.00 174.62 175.68 2df4 h ASP 18 N 1.21 -0.73 -1.42 3.99 3.32 -1.96 -3.38 116.42 117.45 2df4 h ASP 18 Ca -0.44 -0.02 -0.47 0.00 0.02 0.00 0.00 57.03 56.13 2df4 h ASP 18 Cb 1.26 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2df4 h ASP 18 CO 0.59 -0.41 -0.32 -0.94 -1.72 0.00 0.00 179.24 176.44 2df4 s SER 19 N -4.53 5.25 1.16 6.45 1.04 -1.26 0.97 113.70 122.78 2df4 s SER 19 Ca -0.16 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.44 2df4 s SER 19 Cb 0.02 -0.53 0.27 0.00 0.10 0.00 0.00 66.02 65.88 2df4 s SER 19 CO 0.53 -0.74 1.10 -0.54 0.98 0.00 0.00 173.24 174.57 2df4 s LYS 20 N -4.24 -0.92 0.03 4.02 1.02 0.22 -4.42 119.74 115.46 2df4 s LYS 20 Ca 0.51 0.05 -0.27 0.00 0.02 0.00 0.00 55.97 56.28 2df4 s LYS 20 Cb -0.06 -1.62 -0.17 0.00 -0.52 0.00 0.00 37.83 35.46 2df4 s LYS 20 CO 0.30 -3.53 1.36 1.98 -0.92 0.00 0.00 175.35 174.54 2df4 h MET 21 N -2.45 -0.56 -0.04 1.68 1.85 -1.57 -3.35 114.93 110.48 2df4 h MET 21 Ca -0.47 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.66 2df4 h MET 21 Cb 1.30 0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.46 2df4 h MET 21 CO 0.39 -0.27 0.00 1.19 -0.40 0.00 0.00 176.91 177.82 2df4 n PHE 22 N -5.26 0.14 -3.77 1.39 3.72 -1.26 -0.71 117.46 111.72 2df4 n PHE 22 Ca -0.11 -0.91 -0.13 0.00 -0.05 0.00 0.00 57.45 56.26 2df4 n PHE 22 Cb 0.29 -0.16 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 2df4 n PHE 22 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2df4 s SER 23 N -2.47 -0.30 0.00 4.37 0.15 -1.25 -2.25 113.70 111.95 2df4 s SER 23 Ca 0.29 0.52 0.09 0.00 0.70 0.00 0.00 55.95 57.55 2df4 s SER 23 Cb 0.25 0.58 0.45 0.00 -1.71 0.00 0.00 66.02 65.58 2df4 s SER 23 CO 0.04 -0.17 1.21 -0.81 1.20 0.00 0.00 173.24 174.70 2df4 n PRO 24 N 2.60 0.09 -1.64 5.44 -0.04 -1.26 -1.76 135.00 138.43 2df4 n PRO 24 Ca -0.15 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2df4 n PRO 24 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2df4 n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2df4 n SER 25 N -1.35 1.76 -4.75 3.54 7.64 -1.26 -4.48 113.62 114.72 2df4 n SER 25 Ca 0.04 1.11 -0.41 0.00 1.01 0.00 0.00 58.87 60.61 2df4 n SER 25 Cb 0.08 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.88 2df4 n SER 25 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2df4 s PRO 26 N -1.93 4.21 0.51 1.43 0.02 -1.26 0.69 135.00 138.67 2df4 s PRO 26 Ca 0.60 2.41 0.30 0.00 0.02 0.00 0.00 61.00 64.34 2df4 s PRO 26 Cb -0.58 -3.07 1.18 0.00 0.02 0.00 0.00 34.50 32.06 2df4 s PRO 26 CO 0.59 -0.49 1.92 0.00 -0.33 0.00 0.00 177.00 178.69 2df4 h ALA 27 N 4.72 1.01 -3.28 -1.55 0.00 0.43 -3.43 119.26 117.17 2df4 h ALA 27 Ca -0.47 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 2df4 h ALA 27 Cb 1.22 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 2df4 h ALA 27 CO 0.77 0.10 -0.61 -1.58 0.00 0.00 0.00 179.25 177.92 2df4 s HIS 28 N -3.66 3.16 0.27 0.00 5.65 -1.26 -5.02 115.29 114.43 2df4 s HIS 28 Ca 0.01 -0.04 0.08 0.00 0.25 0.00 0.00 55.06 55.37 2df4 s HIS 28 Cb 0.09 -1.98 -0.05 0.00 -1.18 0.00 0.00 32.58 29.46 2df4 s HIS 28 CO 0.58 0.15 -0.11 -0.59 -0.65 0.00 0.00 174.74 174.13 2df4 s PHE 29 N 0.12 1.99 0.00 3.88 -0.71 -1.26 -5.07 117.98 116.92 2df4 s PHE 29 Ca 0.02 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.32 2df4 s PHE 29 Cb -0.13 -1.04 0.00 0.00 -1.21 0.00 0.00 43.02 40.64 2df4 s PHE 29 CO 0.02 0.40 0.00 0.41 -1.34 0.00 0.00 175.22 174.70 2df4 n GLY 30 N -0.56 0.90 0.05 1.99 0.00 -1.26 -5.02 105.19 101.29 2df4 n GLY 30 Ca -0.06 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.44 2df4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df4 n ALA 31 N -3.00 2.45 -2.12 4.61 0.00 -1.26 -4.89 120.51 116.30 2df4 n ALA 31 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 2df4 n ALA 31 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 2df4 n ALA 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2df4 s GLU 32 N -3.26 3.87 0.55 0.00 2.12 -1.26 -4.97 118.70 115.75 2df4 s GLU 32 Ca -0.06 1.73 -0.21 0.00 0.36 0.00 0.00 54.97 56.78 2df4 s GLU 32 Cb 0.11 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2df4 s GLU 32 CO 0.86 -1.20 1.34 -1.25 -0.54 0.00 0.00 175.26 174.48 2df4 s PRO 33 N 4.52 3.13 -1.46 4.30 0.04 -1.26 -3.09 135.00 141.19 2df4 s PRO 33 Ca 0.71 2.20 -0.13 0.00 0.04 0.00 0.00 61.00 63.81 2df4 s PRO 33 Cb -0.26 -2.23 0.10 0.00 0.04 0.00 0.00 34.50 32.15 2df4 s PRO 33 CO 0.28 -1.18 0.68 0.09 0.04 0.00 0.00 177.00 176.91 2df4 n ASN 34 N -1.07 -3.88 -0.02 6.66 3.02 -1.26 -4.81 115.26 113.90 2df4 n ASN 34 Ca 0.11 -0.64 0.03 0.00 -0.03 0.00 0.00 54.58 54.05 2df4 n ASN 34 Cb 0.45 -3.17 -0.09 0.00 -0.61 0.00 0.00 39.78 36.36 2df4 n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2df4 n SER 35 N -2.50 2.36 -3.38 6.41 3.41 -1.18 -4.62 113.62 114.12 2df4 n SER 35 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 2df4 n SER 35 Cb 0.52 1.35 0.02 0.00 -0.26 0.00 0.00 64.21 65.85 2df4 n SER 35 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2df4 n ASN 36 N -2.02 7.26 -2.50 4.04 5.15 -1.26 -4.97 115.26 120.96 2df4 n ASN 36 Ca -0.06 -3.74 -0.13 0.00 -0.60 0.00 0.00 54.58 50.06 2df4 n ASN 36 Cb 0.43 -1.10 -0.05 0.00 -0.53 0.00 0.00 39.78 38.53 2df4 n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2df4 n THR 37 N -0.22 0.00 -3.84 -0.44 -2.24 -1.26 -4.65 114.28 101.62 2df4 n THR 37 Ca 0.48 -1.53 -0.06 0.00 -2.27 0.00 0.00 64.05 60.67 2df4 n THR 37 Cb 0.26 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 2df4 n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2df4 s ASN 38 N -2.49 0.00 0.29 3.42 2.20 -1.26 -5.01 114.94 112.09 2df4 s ASN 38 Ca 0.23 -0.93 0.03 0.00 -0.94 0.00 0.00 52.86 51.25 2df4 s ASN 38 Cb 0.01 0.69 0.61 0.00 -2.00 0.00 0.00 41.25 40.56 2df4 s ASN 38 CO 0.16 -1.37 1.82 -0.37 -2.94 0.00 0.00 177.10 174.40 2df4 h VAL 39 N 2.00 0.85 0.84 3.54 -1.51 -1.99 -0.87 116.25 119.11 2df4 h VAL 39 Ca -0.30 -0.32 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 2df4 h VAL 39 Cb 1.24 -0.15 0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2df4 h VAL 39 CO 0.39 0.17 -0.40 0.40 -1.23 0.00 0.00 177.57 176.89 2df4 h ILE 40 N 0.93 0.00 -0.71 7.19 2.04 -1.94 -0.89 117.51 124.13 2df4 h ILE 40 Ca 0.52 -0.04 0.19 0.00 1.00 0.00 0.00 64.86 66.53 2df4 h ILE 40 Cb 0.61 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2df4 h ILE 40 CO -0.30 0.00 0.50 0.44 0.00 0.00 0.00 178.15 178.79 2df4 h ASP 41 N -1.16 0.08 -0.06 1.72 3.32 -1.88 0.52 116.42 118.96 2df4 h ASP 41 Ca -0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2df4 h ASP 41 Cb 0.86 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2df4 h ASP 41 CO 0.19 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 2df4 n LEU 42 N -4.37 0.93 -3.90 1.55 4.77 -0.36 -4.84 117.00 110.79 2df4 n LEU 42 Ca 0.14 -0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 2df4 n LEU 42 Cb 0.72 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2df4 n LEU 42 CO 0.37 0.18 0.10 0.00 -1.33 0.00 0.00 177.39 176.70 2df4 n ALA 43 N -0.21 -1.34 -1.74 -1.18 0.00 0.18 -4.91 120.51 111.30 2df4 n ALA 43 Ca 0.18 0.17 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 2df4 n ALA 43 Cb 0.24 -4.31 0.03 0.00 0.00 0.00 0.00 19.45 15.40 2df4 n ALA 43 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2df4 s TYR 44 N -3.33 2.45 0.44 0.00 1.51 -0.41 -4.88 117.35 113.13 2df4 s TYR 44 Ca 0.61 1.52 -0.25 0.00 -1.01 0.00 0.00 57.07 57.94 2df4 s TYR 44 Cb -0.31 -3.43 -0.09 0.00 -0.11 0.00 0.00 41.96 38.03 2df4 s TYR 44 CO 0.83 -2.06 1.35 -0.35 -1.11 0.00 0.00 175.55 174.21 2df4 n PRO 45 N -1.56 2.08 -0.80 -1.71 -0.04 -1.26 -2.79 135.00 128.92 2df4 n PRO 45 Ca 0.13 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2df4 n PRO 45 Cb 0.50 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2df4 n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2df4 n GLY 46 N 0.70 0.73 3.90 0.55 0.00 -1.26 -5.05 105.19 104.75 2df4 n GLY 46 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2df4 n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2df4 s VAL 47 N -2.67 5.06 0.10 1.61 -7.23 -1.12 -5.10 120.40 111.05 2df4 s VAL 47 Ca 0.00 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.33 2df4 s VAL 47 Cb 0.00 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 2df4 s VAL 47 CO 0.00 -0.15 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.73 2df4 s LEU 48 N -3.11 2.35 0.21 1.32 1.43 -1.26 -5.03 118.68 114.59 2df4 s LEU 48 Ca 0.43 -0.73 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 2df4 s LEU 48 Cb -0.11 -0.56 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 2df4 s LEU 48 CO 0.26 -0.11 0.88 -2.16 0.23 0.00 0.00 176.35 175.46 2df4 s PRO 49 N -2.27 4.75 -0.21 1.29 0.04 -1.26 -4.99 135.00 132.35 2df4 s PRO 49 Ca 0.05 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 2df4 s PRO 49 Cb -0.07 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2df4 s PRO 49 CO 0.03 0.53 -0.02 0.08 0.04 0.00 0.00 177.00 177.66 2df4 s VAL 50 N -1.14 1.15 0.26 -0.36 1.01 -0.95 -4.82 120.40 115.54 2df4 s VAL 50 Ca 0.39 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2df4 s VAL 50 Cb -0.25 -1.49 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 2df4 s VAL 50 CO 0.30 -0.12 1.63 -0.69 0.00 0.00 0.00 175.10 176.22 2df4 s VAL 51 N 1.57 2.09 -0.40 2.92 1.01 -1.26 -3.89 120.40 122.43 2df4 s VAL 51 Ca -0.04 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 2df4 s VAL 51 Cb -0.18 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2df4 s VAL 51 CO -0.07 0.01 1.05 0.21 0.00 0.00 0.00 175.10 176.30 2df4 s ASN 52 N 0.73 6.73 0.18 3.32 3.84 0.12 -4.94 114.94 124.90 2df4 s ASN 52 Ca 0.67 0.65 -0.14 0.00 0.21 0.00 0.00 52.86 54.25 2df4 s ASN 52 Cb -0.48 -2.52 0.13 0.00 -0.55 0.00 0.00 41.25 37.83 2df4 s ASN 52 CO 0.42 -1.02 1.77 0.50 -2.79 0.00 0.00 177.10 175.98 2df4 h LYS 53 N 8.67 0.40 -0.68 0.43 3.64 -1.93 -2.45 116.57 124.66 2df4 h LYS 53 Ca -0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 2df4 h LYS 53 Cb 1.07 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2df4 h LYS 53 CO 1.05 0.26 0.38 -0.09 -2.27 0.00 0.00 179.45 178.78 2df4 h ARG 54 N 0.41 0.94 -0.99 1.90 2.43 -1.99 -1.71 114.38 115.37 2df4 h ARG 54 Ca 0.21 -0.11 0.23 0.00 -0.81 0.00 0.00 59.98 59.51 2df4 h ARG 54 Cb 0.16 -0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 29.44 2df4 h ARG 54 CO -0.18 0.70 0.63 0.00 -1.51 0.00 0.00 179.97 179.61 2df4 h ALA 55 N 1.19 2.06 0.03 2.80 0.00 -1.85 0.20 119.26 123.69 2df4 h ALA 55 Ca 0.24 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2df4 h ALA 55 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2df4 h ALA 55 CO -0.04 -0.43 -0.01 0.28 0.00 0.00 0.00 179.25 179.05 2df4 h VAL 56 N 0.50 1.42 -0.40 0.00 2.07 -1.16 -0.93 116.25 117.76 2df4 h VAL 56 Ca 0.56 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 66.52 2df4 h VAL 56 Cb 1.25 2.49 -0.07 0.00 -1.52 0.00 0.00 31.29 33.43 2df4 h VAL 56 CO -0.30 0.41 -0.07 0.44 0.02 0.00 0.00 177.57 178.07 2df4 h ASP 57 N -0.78 -0.30 -0.52 0.57 5.19 -0.48 0.20 116.42 120.30 2df4 h ASP 57 Ca -0.00 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2df4 h ASP 57 Cb 0.69 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2df4 h ASP 57 CO 0.01 -0.10 0.21 -0.50 -3.12 0.00 0.00 179.24 175.73 2df4 h TRP 58 N 0.03 0.80 -0.45 4.55 4.06 -0.74 -0.26 115.95 123.95 2df4 h TRP 58 Ca 0.19 -0.06 0.06 0.00 2.06 0.00 0.00 58.89 61.14 2df4 h TRP 58 Cb 0.29 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.16 2df4 h TRP 58 CO -0.32 0.66 0.16 0.00 -3.56 0.00 0.00 178.44 175.37 2df4 h ALA 59 N 1.06 0.54 -0.00 1.49 0.00 0.06 -0.33 119.26 122.08 2df4 h ALA 59 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2df4 h ALA 59 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2df4 h ALA 59 CO -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 2df4 n MET 60 N -5.01 0.47 0.06 0.00 0.00 0.58 -1.91 117.12 111.31 2df4 n MET 60 Ca 0.04 -0.04 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 2df4 n MET 60 Cb 0.17 -1.50 -0.15 0.00 0.00 0.00 0.00 33.22 31.75 2df4 n MET 60 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2df4 h ARG 61 N 0.10 0.36 0.00 3.17 2.43 0.54 -3.03 114.38 117.96 2df4 h ARG 61 Ca 0.00 -0.62 -0.10 0.00 -0.81 0.00 0.00 59.98 58.45 2df4 h ARG 61 Cb 0.30 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2df4 h ARG 61 CO 0.00 1.30 -0.46 0.00 -1.51 0.00 0.00 179.97 179.29 2df4 h ALA 62 N 0.07 0.90 -0.23 2.80 0.00 -1.09 -2.56 119.26 119.15 2df4 h ALA 62 Ca -0.33 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 53.99 2df4 h ALA 62 Cb 2.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2df4 h ALA 62 CO 0.15 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.43 2df4 h ALA 63 N 1.54 0.61 -0.10 0.00 0.00 -1.47 -2.67 119.26 117.17 2df4 h ALA 63 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2df4 h ALA 63 Cb 1.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2df4 h ALA 63 CO 0.06 0.69 -0.14 0.52 0.00 0.00 0.00 179.25 180.37 2df4 h MET 64 N 0.52 0.28 0.00 0.00 2.07 -1.43 -2.40 114.93 113.97 2df4 h MET 64 Ca 0.01 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.48 2df4 h MET 64 Cb 1.11 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.86 2df4 h MET 64 CO 0.11 0.73 0.04 0.00 1.07 0.00 0.00 176.91 178.85 2df4 n ALA 65 N -2.42 0.98 0.01 6.32 0.00 -0.97 0.76 120.51 125.17 2df4 n ALA 65 Ca -0.07 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.59 2df4 n ALA 65 Cb 0.37 -1.15 0.27 0.00 0.00 0.00 0.00 19.45 18.94 2df4 n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2df4 n LEU 66 N -1.99 3.40 -3.67 0.00 4.32 -0.92 -4.94 117.00 113.20 2df4 n LEU 66 Ca -0.01 -1.70 -0.21 0.00 -0.02 0.00 0.00 56.01 54.06 2df4 n LEU 66 Cb 0.06 -0.43 0.04 0.00 -1.62 0.00 0.00 43.42 41.47 2df4 n LEU 66 CO 0.06 0.79 -0.01 0.59 -1.22 0.00 0.00 177.39 177.60 2df4 n ASN 67 N 1.21 -1.85 -4.82 -1.43 3.02 0.23 -1.66 115.26 109.95 2df4 n ASN 67 Ca 0.21 -0.77 -0.22 0.00 -0.03 0.00 0.00 54.58 53.76 2df4 n ASN 67 Cb 0.56 -4.27 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 2df4 n ASN 67 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2df4 s MET 68 N -5.94 2.43 -0.26 3.52 -1.94 -1.08 -3.68 119.30 112.34 2df4 s MET 68 Ca 0.09 -1.63 -0.14 0.00 -1.71 0.00 0.00 55.69 52.30 2df4 s MET 68 Cb -0.04 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 2df4 s MET 68 CO 0.80 -0.14 0.32 -2.00 -0.01 0.00 0.00 175.02 173.99 2df4 s GLU 69 N -4.03 4.02 -0.10 2.03 2.12 0.66 -4.76 118.70 118.64 2df4 s GLU 69 Ca 0.45 -0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 2df4 s GLU 69 Cb -0.01 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2df4 s GLU 69 CO 0.26 -0.22 1.04 0.42 -0.54 0.00 0.00 175.26 176.22 2df4 s ILE 70 N 1.88 4.70 0.55 -3.70 -1.09 -1.26 -2.18 121.20 120.11 2df4 s ILE 70 Ca 0.13 1.98 -0.21 0.00 -2.23 0.00 0.00 60.65 60.31 2df4 s ILE 70 Cb -0.16 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 2df4 s ILE 70 CO 0.10 0.00 1.35 0.00 -1.23 0.00 0.00 174.94 175.16 2df4 s ALA 71 N 2.04 2.79 -0.11 9.38 0.00 -0.57 -4.94 121.76 130.34 2df4 s ALA 71 Ca 0.49 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.74 2df4 s ALA 71 Cb -0.19 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.11 2df4 s ALA 71 CO 0.19 -1.37 0.40 2.41 0.00 0.00 0.00 175.76 177.38 2df4 n THR 72 N -1.08 1.74 -4.30 0.00 -1.04 -1.26 -4.52 114.28 103.82 2df4 n THR 72 Ca 0.11 -0.68 -0.33 0.00 -2.04 0.00 0.00 64.05 61.11 2df4 n THR 72 Cb 0.45 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 67.21 2df4 n THR 72 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2df4 s GLU 73 N -2.56 2.95 -0.08 -2.82 2.02 -1.26 -0.09 118.70 116.86 2df4 s GLU 73 Ca -0.20 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 2df4 s GLU 73 Cb 0.07 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.85 2df4 s GLU 73 CO 0.77 -0.15 0.15 0.45 0.02 0.00 0.00 175.26 176.51 2df4 s SER 74 N 1.14 0.66 0.18 -0.19 0.15 -0.55 -4.85 113.70 110.23 2df4 s SER 74 Ca 0.01 0.30 0.09 0.00 0.70 0.00 0.00 55.95 57.05 2df4 s SER 74 Cb -0.14 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 2df4 s SER 74 CO -0.09 -0.23 -0.20 -1.59 1.20 0.00 0.00 173.24 172.33 2df4 s LYS 75 N 2.10 1.36 0.44 5.44 0.00 -1.26 -1.54 119.74 126.29 2df4 s LYS 75 Ca 0.01 -1.47 -0.05 0.00 0.00 0.00 0.00 55.97 54.46 2df4 s LYS 75 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 37.83 36.19 2df4 s LYS 75 CO -0.05 0.30 0.74 -0.06 0.00 0.00 0.00 175.35 176.28 2df4 s PHE 76 N -2.02 3.54 0.16 1.78 0.40 -1.26 -4.65 117.98 115.93 2df4 s PHE 76 Ca 0.18 0.77 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 2df4 s PHE 76 Cb -0.06 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 2df4 s PHE 76 CO 0.08 -0.18 -0.00 -0.51 0.70 0.00 0.00 175.22 175.31 2df4 s ASP 77 N -3.92 1.17 -0.15 1.36 1.11 0.28 -0.47 116.67 116.04 2df4 s ASP 77 Ca 0.47 -1.16 -0.13 0.00 0.18 0.00 0.00 52.55 51.91 2df4 s ASP 77 Cb -0.10 0.12 -0.05 0.00 1.07 0.00 0.00 42.92 43.96 2df4 s ASP 77 CO 0.41 -0.57 0.28 -0.13 1.18 0.00 0.00 175.17 176.34 2df4 s ARG 78 N -3.91 4.19 -0.49 8.23 0.52 0.51 -0.20 118.95 127.79 2df4 s ARG 78 Ca 0.23 0.08 -0.08 0.00 -0.52 0.00 0.00 55.73 55.43 2df4 s ARG 78 Cb 0.06 -3.40 0.13 0.00 0.52 0.00 0.00 34.95 32.25 2df4 s ARG 78 CO 0.03 0.29 0.35 0.21 0.02 0.00 0.00 175.30 176.21 2df4 s LYS 79 N 0.30 2.47 -0.19 3.54 2.20 0.12 -3.36 119.74 124.81 2df4 s LYS 79 Ca 0.16 -1.87 -0.26 0.00 -0.36 0.00 0.00 55.97 53.64 2df4 s LYS 79 Cb -0.13 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 2df4 s LYS 79 CO 0.04 -1.18 0.88 -0.80 -0.36 0.00 0.00 175.35 173.93 2df4 s ASN 80 N 2.38 6.97 -0.28 1.43 0.01 -0.89 0.35 114.94 124.91 2df4 s ASN 80 Ca 0.08 1.20 -0.19 0.00 -0.71 0.00 0.00 52.86 53.24 2df4 s ASN 80 Cb -0.25 -2.47 0.12 0.00 0.41 0.00 0.00 41.25 39.06 2df4 s ASN 80 CO -0.02 -0.48 0.93 -0.72 -1.51 0.00 0.00 177.10 175.29 2df4 s TYR 81 N 2.52 -0.64 -0.13 2.20 1.13 0.75 -4.60 117.35 118.58 2df4 s TYR 81 Ca 0.39 1.37 -0.26 0.00 -1.41 0.00 0.00 57.07 57.16 2df4 s TYR 81 Cb -0.16 0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 41.08 2df4 s TYR 81 CO 0.10 -0.31 0.84 -0.06 -2.51 0.00 0.00 175.55 173.61 2df4 s PHE 82 N 0.98 3.48 -0.29 -3.49 0.40 -1.26 -4.08 117.98 113.71 2df4 s PHE 82 Ca -0.05 1.32 -0.16 0.00 -0.60 0.00 0.00 56.93 57.45 2df4 s PHE 82 Cb -0.04 -3.00 0.14 0.00 0.51 0.00 0.00 43.02 40.62 2df4 s PHE 82 CO -0.12 -0.16 0.93 -0.47 0.70 0.00 0.00 175.22 176.10 2df4 s TYR 83 N 1.80 -0.66 0.39 0.36 5.04 -1.26 -5.05 117.35 117.97 2df4 s TYR 83 Ca 0.40 1.30 0.32 0.00 -2.44 0.00 0.00 57.07 56.65 2df4 s TYR 83 Cb -0.17 0.40 1.27 0.00 0.35 0.00 0.00 41.96 43.80 2df4 s TYR 83 CO 0.15 -0.33 1.23 -2.30 -1.34 0.00 0.00 175.55 172.97 2df4 n PRO 84 N 3.97 -0.02 -0.06 4.97 -0.02 -1.26 0.12 135.00 142.71 2df4 n PRO 84 Ca -0.17 0.93 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 2df4 n PRO 84 Cb 0.57 -1.97 0.29 0.00 -0.02 0.00 0.00 33.50 32.37 2df4 n PRO 84 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2df4 n ASP 85 N -3.94 2.47 -3.59 2.55 5.68 -1.26 -4.44 116.55 114.02 2df4 n ASP 85 Ca 0.33 -1.82 -0.27 0.00 -0.50 0.00 0.00 54.79 52.54 2df4 n ASP 85 Cb 1.40 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 41.20 2df4 n ASP 85 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2df4 n ASN 86 N 0.89 2.32 -0.23 -1.12 5.15 0.32 -0.51 115.26 122.08 2df4 n ASN 86 Ca 0.17 -3.08 0.25 0.00 -0.60 0.00 0.00 54.58 51.32 2df4 n ASN 86 Cb 0.49 -0.68 0.62 0.00 -0.53 0.00 0.00 39.78 39.67 2df4 n ASN 86 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2df4 h PRO 87 N 4.90 0.20 0.00 1.20 0.13 -1.78 -1.33 132.00 135.32 2df4 h PRO 87 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2df4 h PRO 87 Cb 0.77 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2df4 h PRO 87 CO 0.66 0.13 0.00 1.63 -0.23 0.00 0.00 178.00 180.20 2df4 n LYS 88 N -4.40 0.08 -0.96 0.86 5.02 -1.26 -4.85 118.16 112.65 2df4 n LYS 88 Ca 0.20 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2df4 n LYS 88 Cb 0.87 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2df4 n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2df4 n ALA 89 N -1.46 0.00 -3.50 7.82 0.00 -0.50 -4.95 120.51 117.92 2df4 n ALA 89 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2df4 n ALA 89 Cb 0.31 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 2df4 n ALA 89 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2df4 s TYR 90 N -1.96 -0.66 -0.23 0.00 -0.85 -1.26 -0.18 117.35 112.22 2df4 s TYR 90 Ca 0.00 1.59 -0.09 0.00 -0.52 0.00 0.00 57.07 58.05 2df4 s TYR 90 Cb 0.00 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 2df4 s TYR 90 CO 0.00 -0.32 0.11 -1.14 -1.52 0.00 0.00 175.55 172.68 2df4 s GLN 91 N 0.38 3.96 -0.13 -3.49 0.74 0.15 -4.83 119.66 116.44 2df4 s GLN 91 Ca -0.01 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.78 2df4 s GLN 91 Cb -0.04 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 2df4 s GLN 91 CO -0.00 0.07 1.31 0.42 -0.55 0.00 0.00 175.29 176.54 2df4 s ILE 92 N 0.97 4.17 0.00 -2.34 1.01 -1.26 -0.70 121.20 123.05 2df4 s ILE 92 Ca 0.06 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2df4 s ILE 92 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2df4 s ILE 92 CO 0.03 -0.11 0.00 -0.24 0.00 0.00 0.00 174.94 174.63 2df4 n SER 93 N 6.47 0.00 -3.77 3.58 2.88 0.71 -3.38 113.62 120.12 2df4 n SER 93 Ca 0.14 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 2df4 n SER 93 Cb 0.45 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.74 2df4 n SER 93 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2df4 s GLN 94 N 1.90 0.11 0.00 -1.46 -0.21 -1.24 0.99 119.66 119.74 2df4 s GLN 94 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.56 2df4 s GLN 94 Cb 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 33.01 33.60 2df4 s GLN 94 CO 0.00 -0.19 0.00 0.34 -2.12 0.00 0.00 175.29 173.32 2df4 n PHE 95 N 4.40 0.00 -1.91 0.91 7.35 -1.26 -4.88 117.46 122.08 2df4 n PHE 95 Ca -0.22 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.17 2df4 n PHE 95 Cb 0.50 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.40 2df4 n PHE 95 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2df4 s ASP 96 N -1.00 5.01 -1.29 -2.13 1.01 -1.26 -4.24 116.67 112.77 2df4 s ASP 96 Ca 0.00 0.95 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 2df4 s ASP 96 Cb 0.00 -1.61 -0.00 0.00 1.01 0.00 0.00 42.92 42.32 2df4 s ASP 96 CO 0.00 -1.60 0.72 0.00 0.21 0.00 0.00 175.17 174.50 2df4 n GLN 97 N -3.14 -4.84 -2.39 8.23 6.02 -1.26 -4.73 117.38 115.27 2df4 n GLN 97 Ca 0.07 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.30 2df4 n GLN 97 Cb 0.59 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.62 2df4 n GLN 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2df4 s PRO 98 N -5.91 4.45 0.54 -1.09 0.04 -1.26 -4.20 135.00 127.57 2df4 s PRO 98 Ca 0.02 1.86 0.41 0.00 0.04 0.00 0.00 61.00 63.33 2df4 s PRO 98 Cb -0.01 -3.03 1.61 0.00 0.04 0.00 0.00 34.50 33.12 2df4 s PRO 98 CO 0.81 0.02 1.71 0.97 0.04 0.00 0.00 177.00 180.55 2df4 h ILE 99 N 2.88 0.25 -3.73 0.56 2.10 -1.92 -3.40 117.51 114.25 2df4 h ILE 99 Ca -0.48 -0.00 -0.37 0.00 1.08 0.00 0.00 64.86 65.09 2df4 h ILE 99 Cb 1.22 0.24 -0.31 0.00 -1.09 0.00 0.00 36.82 36.88 2df4 h ILE 99 CO 0.65 0.00 -0.76 -0.83 -1.08 0.00 0.00 178.15 176.13 2df4 s GLY 100 N -3.92 0.36 0.01 8.18 0.00 -0.71 -1.52 107.32 109.72 2df4 s GLY 100 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 2df4 s GLY 100 CO 0.84 0.08 -0.00 -0.54 0.00 0.00 0.00 173.10 173.47 2df4 s GLU 101 N 0.33 0.22 -0.39 2.90 2.02 -0.93 -0.79 118.70 122.06 2df4 s GLU 101 Ca -0.04 -0.37 -0.19 0.00 0.02 0.00 0.00 54.97 54.39 2df4 s GLU 101 Cb -0.08 0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.26 2df4 s GLU 101 CO -0.00 -0.04 0.49 0.09 0.02 0.00 0.00 175.26 175.82 2df4 n ASN 102 N 2.11 -7.18 -0.55 -0.19 3.02 0.21 -0.24 115.26 112.43 2df4 n ASN 102 Ca -0.20 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2df4 n ASN 102 Cb 0.57 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 2df4 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2df4 n GLY 103 N -0.00 6.52 3.59 7.41 0.00 0.20 -4.02 105.19 118.89 2df4 n GLY 103 Ca 0.04 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.07 2df4 n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2df4 s TYR 104 N 0.18 -0.03 -0.20 1.61 1.13 -0.67 -0.87 117.35 118.51 2df4 s TYR 104 Ca 0.00 -0.03 -0.18 0.00 -1.41 0.00 0.00 57.07 55.45 2df4 s TYR 104 Cb 0.00 0.52 0.05 0.00 -1.10 0.00 0.00 41.96 41.44 2df4 s TYR 104 CO 0.00 -0.15 0.53 0.96 -2.51 0.00 0.00 175.55 174.38 2df4 s ILE 105 N -2.23 -0.00 0.18 -3.49 -4.36 -0.68 -4.45 121.20 106.16 2df4 s ILE 105 Ca 0.14 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.36 2df4 s ILE 105 Cb 0.06 -0.74 -0.08 0.00 1.25 0.00 0.00 42.46 42.95 2df4 s ILE 105 CO -0.05 0.00 0.65 -1.81 0.24 0.00 0.00 174.94 173.97 2df4 s ASP 106 N 0.35 6.99 0.05 4.36 1.01 -1.26 -2.34 116.67 125.83 2df4 s ASP 106 Ca -0.01 1.29 0.01 0.00 0.71 0.00 0.00 52.55 54.56 2df4 s ASP 106 Cb -0.04 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2df4 s ASP 106 CO -0.00 0.09 -0.06 0.27 0.21 0.00 0.00 175.17 175.68 2df4 s ILE 107 N -1.44 0.44 -0.31 0.77 -4.36 -0.92 -4.98 121.20 110.39 2df4 s ILE 107 Ca 0.39 -1.28 -0.05 0.00 -0.26 0.00 0.00 60.65 59.45 2df4 s ILE 107 Cb -0.17 -0.83 0.04 0.00 1.25 0.00 0.00 42.46 42.75 2df4 s ILE 107 CO 0.20 -0.57 0.06 -1.61 0.24 0.00 0.00 174.94 173.26 2df4 s GLU 108 N -2.24 2.68 0.36 0.37 8.01 -1.26 -1.92 118.70 124.70 2df4 s GLU 108 Ca -0.05 -1.12 0.08 0.00 0.01 0.00 0.00 54.97 53.88 2df4 s GLU 108 Cb -0.05 -3.34 -0.07 0.00 -4.31 0.00 0.00 34.13 26.36 2df4 s GLU 108 CO -0.02 -0.59 -0.04 0.14 0.01 0.00 0.00 175.26 174.76 2df4 s VAL 109 N 1.38 1.96 -0.63 2.63 -7.23 -1.20 -4.99 120.40 112.31 2df4 s VAL 109 Ca -0.02 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 57.97 2df4 s VAL 109 Cb -0.19 -2.76 -0.19 0.00 0.56 0.00 0.00 36.38 33.79 2df4 s VAL 109 CO 0.01 -0.12 1.77 -0.90 -0.31 0.00 0.00 175.10 175.55 2df4 n ASP 110 N -0.82 -1.10 0.00 4.85 5.75 -1.26 -3.00 116.55 120.97 2df4 n ASP 110 Ca -0.05 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2df4 n ASP 110 Cb 0.65 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2df4 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2df4 n GLY 111 N 5.34 -0.24 0.00 6.12 0.00 -1.26 -5.14 105.19 110.01 2df4 n GLY 111 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2df4 n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2df4 n GLU 112 N 0.00 0.00 -2.51 1.61 1.02 -1.16 -5.12 120.64 114.48 2df4 n GLU 112 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2df4 n GLU 112 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2df4 n GLU 112 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2df4 s THR 113 N 1.00 4.10 -0.09 2.62 2.01 -1.26 -3.27 115.64 120.75 2df4 s THR 113 Ca 0.00 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 2df4 s THR 113 Cb 0.00 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.50 2df4 s THR 113 CO 0.00 0.20 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.36 2df4 s LYS 114 N 0.41 0.88 -0.53 4.92 2.20 -0.81 -4.97 119.74 121.84 2df4 s LYS 114 Ca 0.53 -0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 55.89 2df4 s LYS 114 Cb -0.28 -1.23 0.05 0.00 -1.51 0.00 0.00 37.83 34.86 2df4 s LYS 114 CO 0.31 -0.32 0.78 0.50 -0.36 0.00 0.00 175.35 176.26 2df4 s ARG 115 N 1.89 3.22 -0.04 4.03 3.52 -1.26 -2.17 118.95 128.13 2df4 s ARG 115 Ca 0.05 -0.60 -0.17 0.00 -0.13 0.00 0.00 55.73 54.87 2df4 s ARG 115 Cb -0.13 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 2df4 s ARG 115 CO -0.06 -1.35 0.47 0.42 -0.81 0.00 0.00 175.30 173.96 2df4 s ILE 116 N 3.26 5.05 -0.05 4.11 1.01 -0.99 -4.92 121.20 128.68 2df4 s ILE 116 Ca 0.22 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.70 2df4 s ILE 116 Cb -0.16 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2df4 s ILE 116 CO 0.15 0.46 0.35 -0.83 0.00 0.00 0.00 174.94 175.07 2df4 s GLY 117 N -0.28 2.39 -0.41 6.18 0.00 -1.26 -1.69 107.32 112.24 2df4 s GLY 117 Ca 0.26 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.52 2df4 s GLY 117 CO 0.13 0.11 0.29 -0.42 0.00 0.00 0.00 173.10 173.21 2df4 s ILE 118 N -0.80 4.98 0.10 0.90 1.01 -0.05 0.17 121.20 127.50 2df4 s ILE 118 Ca 0.21 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 2df4 s ILE 118 Cb -0.15 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.35 2df4 s ILE 118 CO 0.10 -0.36 1.70 0.71 0.00 0.00 0.00 174.94 177.09 2df4 h THR 119 N 5.76 0.79 -4.02 2.92 1.35 -1.53 0.56 112.91 118.74 2df4 h THR 119 Ca -0.26 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.47 2df4 h THR 119 Cb 1.11 0.79 -0.12 0.00 -1.73 0.00 0.00 68.15 68.21 2df4 h THR 119 CO 0.75 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 175.69 2df4 s ARG 120 N -6.16 1.39 -0.27 4.72 1.70 -1.21 0.65 118.95 119.77 2df4 s ARG 120 Ca -0.14 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 53.72 2df4 s ARG 120 Cb 0.07 0.39 0.16 0.00 -0.57 0.00 0.00 34.95 34.99 2df4 s ARG 120 CO 0.66 -0.53 0.45 -1.17 -1.08 0.00 0.00 175.30 173.63 2df4 s LEU 121 N -3.07 -0.91 0.43 -1.89 0.20 0.03 -2.45 118.68 111.03 2df4 s LEU 121 Ca 0.28 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.39 2df4 s LEU 121 Cb 0.03 1.42 -0.05 0.00 -0.43 0.00 0.00 46.19 47.15 2df4 s LEU 121 CO 0.09 -0.30 0.02 -1.38 -0.29 0.00 0.00 176.35 174.49 2df4 s HIS 122 N 2.64 2.22 -0.15 5.38 -3.43 -0.85 -1.73 115.29 119.37 2df4 s HIS 122 Ca 0.14 -0.82 -0.05 0.00 -0.80 0.00 0.00 55.06 53.53 2df4 s HIS 122 Cb -0.14 -1.64 -0.04 0.00 -1.43 0.00 0.00 32.58 29.33 2df4 s HIS 122 CO -0.21 0.30 0.02 -1.64 -2.00 0.00 0.00 174.74 171.21 2df4 s MET 123 N -3.78 3.61 0.22 -0.38 1.00 -1.26 -0.41 119.30 118.30 2df4 s MET 123 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 55.69 55.57 2df4 s MET 123 Cb 0.07 -3.02 -0.01 0.00 0.00 0.00 0.00 34.83 31.87 2df4 s MET 123 CO 0.13 0.40 0.07 0.39 0.00 0.00 0.00 175.02 176.01 2df4 n GLU 124 N 3.09 0.78 -4.64 2.03 1.02 -0.20 -3.71 120.64 119.02 2df4 n GLU 124 Ca -0.17 -1.87 -0.27 0.00 -0.02 0.00 0.00 57.16 54.83 2df4 n GLU 124 Cb 0.53 0.98 -0.17 0.00 -0.02 0.00 0.00 31.44 32.77 2df4 n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2df4 s GLU 125 N -2.85 2.05 0.71 3.49 -1.05 -1.22 -1.54 118.70 118.30 2df4 s GLU 125 Ca 0.10 -0.52 -0.15 0.00 -0.15 0.00 0.00 54.97 54.26 2df4 s GLU 125 Cb 0.01 -1.68 0.03 0.00 -0.44 0.00 0.00 34.13 32.04 2df4 s GLU 125 CO 0.07 0.02 1.15 0.34 0.95 0.00 0.00 175.26 177.80 2df4 s ASP 126 N 0.73 4.56 0.57 0.83 2.15 0.36 -4.70 116.67 121.18 2df4 s ASP 126 Ca -0.13 2.16 0.07 0.00 0.43 0.00 0.00 52.55 55.08 2df4 s ASP 126 Cb -0.16 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.97 2df4 s ASP 126 CO 0.03 -2.00 0.79 0.00 -0.17 0.00 0.00 175.17 173.81 2df4 s ALA 127 N -2.22 4.44 1.03 3.66 0.00 -1.26 0.10 121.76 127.51 2df4 s ALA 127 Ca 0.70 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 2df4 s ALA 127 Cb -0.24 -1.63 0.23 0.00 0.00 0.00 0.00 23.12 21.48 2df4 s ALA 127 CO 0.45 -0.86 1.28 0.41 0.00 0.00 0.00 175.76 177.04 2df4 n GLY 128 N -2.29 -1.65 3.25 0.00 0.00 0.33 -3.30 105.19 101.54 2df4 n GLY 128 Ca 0.14 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2df4 n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2df4 s LYS 129 N -5.81 3.22 -0.47 1.61 2.20 -0.97 -4.78 119.74 114.74 2df4 s LYS 129 Ca 0.74 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 55.50 2df4 s LYS 129 Cb -0.02 -2.70 0.11 0.00 -1.51 0.00 0.00 37.83 33.70 2df4 s LYS 129 CO 0.52 -0.06 0.36 0.45 -0.36 0.00 0.00 175.35 176.26 2df4 s SER 130 N 1.03 5.82 0.08 1.43 0.15 -1.26 -1.92 113.70 119.02 2df4 s SER 130 Ca -0.01 -1.76 -0.30 0.00 0.70 0.00 0.00 55.95 54.57 2df4 s SER 130 Cb -0.15 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2df4 s SER 130 CO -0.03 -0.69 1.04 -0.89 1.20 0.00 0.00 173.24 173.87 2df4 s THR 131 N 1.44 4.40 -0.72 6.45 2.01 0.23 -4.87 115.64 124.58 2df4 s THR 131 Ca 0.05 1.85 -0.20 0.00 0.31 0.00 0.00 61.69 63.69 2df4 s THR 131 Cb -0.26 -4.18 0.10 0.00 0.01 0.00 0.00 72.50 68.16 2df4 s THR 131 CO 0.01 0.21 0.94 -1.00 -0.69 0.00 0.00 174.62 174.10 2df4 s HIS 132 N 0.52 2.90 -0.13 4.92 3.76 -1.26 -0.65 115.29 125.35 2df4 s HIS 132 Ca 0.52 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2df4 s HIS 132 Cb -0.25 -4.21 -0.02 0.00 1.11 0.00 0.00 32.58 29.21 2df4 s HIS 132 CO 0.30 -1.50 -0.08 0.15 -0.85 0.00 0.00 174.74 172.75 2df4 s LYS 133 N 3.24 3.37 1.96 1.40 -0.14 -1.23 -5.01 119.74 123.33 2df4 s LYS 133 Ca 0.22 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2df4 s LYS 133 Cb -0.15 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 2df4 s LYS 133 CO 0.03 0.31 0.00 0.41 -0.76 0.00 0.00 175.35 175.34 2df4 n GLY 134 N 3.28 0.86 0.37 -3.33 0.00 -1.26 -1.78 105.19 103.33 2df4 n GLY 134 Ca -0.18 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.15 2df4 n GLY 134 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2df4 n GLU 135 N 0.00 1.41 -0.65 1.61 -0.58 -1.26 -4.80 120.64 116.36 2df4 n GLU 135 Ca 0.00 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 2df4 n GLU 135 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2df4 n GLU 135 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2df4 n TYR 136 N -0.05 -0.29 -3.69 -0.32 4.11 -0.73 -5.17 117.16 111.02 2df4 n TYR 136 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.83 2df4 n TYR 136 Cb 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.43 2df4 n TYR 136 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2df4 s SER 137 N -0.07 -0.60 -0.16 9.48 0.01 -1.25 -3.55 113.70 117.56 2df4 s SER 137 Ca 0.00 1.08 -0.07 0.00 1.31 0.00 0.00 55.95 58.26 2df4 s SER 137 Cb 0.00 1.02 -0.04 0.00 0.21 0.00 0.00 66.02 67.21 2df4 s SER 137 CO 0.00 -0.19 0.09 -0.76 0.41 0.00 0.00 173.24 172.78 2df4 s LEU 138 N 0.87 4.01 -0.07 2.44 2.01 0.18 -4.95 118.68 123.16 2df4 s LEU 138 Ca -0.05 0.21 0.02 0.00 0.01 0.00 0.00 54.13 54.33 2df4 s LEU 138 Cb -0.05 -2.00 -0.02 0.00 0.01 0.00 0.00 46.19 44.12 2df4 s LEU 138 CO -0.07 0.26 -0.12 -0.69 1.01 0.00 0.00 176.35 176.73 2df4 s VAL 139 N -0.13 3.21 -0.31 -1.59 1.01 -1.26 -0.60 120.40 120.72 2df4 s VAL 139 Ca 0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2df4 s VAL 139 Cb -0.12 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.07 2df4 s VAL 139 CO 0.01 0.58 0.11 -0.62 0.00 0.00 0.00 175.10 175.17 2df4 s ASP 140 N -0.51 3.95 0.00 3.32 -1.08 -0.81 -4.85 116.67 116.69 2df4 s ASP 140 Ca 0.07 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 2df4 s ASP 140 Cb -0.12 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 2df4 s ASP 140 CO 0.02 -0.41 0.58 0.18 0.52 0.00 0.00 175.17 176.05 2df4 n LEU 141 N 4.82 0.56 -0.05 -1.34 4.32 -1.26 -2.29 117.00 121.76 2df4 n LEU 141 Ca -0.02 -0.28 -0.08 0.00 -0.02 0.00 0.00 56.01 55.61 2df4 n LEU 141 Cb 0.42 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2df4 n LEU 141 CO 0.11 0.14 0.85 0.78 -1.22 0.00 0.00 177.39 178.05 2df4 h ASN 142 N 0.10 -0.12 0.77 -1.43 2.35 -1.94 -2.52 115.58 112.79 2df4 h ASN 142 Ca 0.00 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2df4 h ASN 142 Cb 0.28 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2df4 h ASN 142 CO 0.00 -0.03 -0.50 -0.09 -1.65 0.00 0.00 177.43 175.16 2df4 h ARG 143 N 0.05 0.00 -6.10 0.81 2.43 -1.84 -3.46 114.38 106.26 2df4 h ARG 143 Ca 0.10 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.60 2df4 h ARG 143 Cb 0.14 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.79 2df4 h ARG 143 CO -0.19 0.50 -0.31 0.94 -1.51 0.00 0.00 179.97 179.41 2df4 n GLN 144 N -3.63 0.31 -0.60 0.20 0.00 -0.95 -1.83 117.38 110.87 2df4 n GLN 144 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 2df4 n GLN 144 Cb 0.57 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.56 2df4 n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2df4 n GLY 145 N 1.82 1.32 3.70 1.69 0.00 0.28 -4.93 105.19 109.07 2df4 n GLY 145 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2df4 n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2df4 s THR 146 N -3.42 3.31 0.17 2.61 2.01 -0.76 -1.48 115.64 118.08 2df4 s THR 146 Ca 0.00 0.85 -0.34 0.00 0.31 0.00 0.00 61.69 62.51 2df4 s THR 146 Cb 0.00 -3.55 -0.14 0.00 0.01 0.00 0.00 72.50 68.82 2df4 s THR 146 CO 0.00 0.03 1.52 -0.81 -0.69 0.00 0.00 174.62 174.67 2df4 n PRO 147 N 4.70 2.03 -4.29 4.92 -0.04 -1.26 0.14 135.00 141.19 2df4 n PRO 147 Ca 0.13 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 64.16 2df4 n PRO 147 Cb 0.42 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.31 2df4 n PRO 147 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2df4 s LEU 148 N 0.72 1.97 -0.03 1.53 1.43 -0.59 -2.58 118.68 121.13 2df4 s LEU 148 Ca 0.77 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2df4 s LEU 148 Cb -0.70 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 45.46 2df4 s LEU 148 CO 0.41 -0.61 0.05 0.27 0.23 0.00 0.00 176.35 176.70 2df4 s ILE 149 N -3.62 -0.09 -0.10 -0.59 -4.36 -0.95 -1.03 121.20 110.46 2df4 s ILE 149 Ca 0.30 0.34 -0.16 0.00 -0.26 0.00 0.00 60.65 60.87 2df4 s ILE 149 Cb 0.07 -0.13 -0.05 0.00 1.25 0.00 0.00 42.46 43.60 2df4 s ILE 149 CO 0.09 0.14 0.41 -0.70 0.24 0.00 0.00 174.94 175.12 2df4 s GLU 150 N 1.72 4.21 -0.29 0.37 2.12 0.45 -1.97 118.70 125.32 2df4 s GLU 150 Ca -0.01 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.69 2df4 s GLU 150 Cb -0.12 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 30.97 2df4 s GLU 150 CO -0.03 0.31 -0.01 0.42 -0.54 0.00 0.00 175.26 175.41 2df4 s ILE 151 N 0.17 1.86 -0.16 -3.70 1.01 0.21 -2.01 121.20 118.58 2df4 s ILE 151 Ca 0.23 -1.76 -0.12 0.00 0.00 0.00 0.00 60.65 58.99 2df4 s ILE 151 Cb -0.15 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2df4 s ILE 151 CO 0.09 -0.35 0.23 -0.69 0.00 0.00 0.00 174.94 174.22 2df4 s VAL 152 N 1.17 5.35 0.20 2.92 1.01 -1.02 -1.11 120.40 128.91 2df4 s VAL 152 Ca 0.02 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 2df4 s VAL 152 Cb -0.19 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2df4 s VAL 152 CO -0.09 0.44 0.61 -0.94 0.00 0.00 0.00 175.10 175.12 2df4 s SER 153 N 0.21 6.85 0.45 3.32 1.04 -0.93 -1.51 113.70 123.12 2df4 s SER 153 Ca 0.14 1.16 -0.24 0.00 0.48 0.00 0.00 55.95 57.49 2df4 s SER 153 Cb -0.12 -2.32 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 2df4 s SER 153 CO 0.02 0.03 1.23 -0.70 0.98 0.00 0.00 173.24 174.80 2df4 s GLU 154 N -2.20 3.75 -0.74 4.02 2.56 0.45 -4.53 118.70 122.00 2df4 s GLU 154 Ca 0.42 1.95 -0.05 0.00 0.00 0.00 0.00 54.97 57.29 2df4 s GLU 154 Cb -0.14 -2.51 -0.04 0.00 2.00 0.00 0.00 34.13 33.44 2df4 s GLU 154 CO 0.20 -0.61 1.90 -0.35 -0.56 0.00 0.00 175.26 175.84 2df4 n PRO 155 N -0.35 1.69 -0.11 4.30 -0.04 -1.26 -4.19 135.00 135.03 2df4 n PRO 155 Ca 0.06 -1.28 -0.20 0.00 -0.04 0.00 0.00 63.50 62.04 2df4 n PRO 155 Cb 0.46 -2.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 2df4 n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2df4 n ASP 156 N 4.40 1.99 -4.62 3.54 8.00 -1.26 -4.65 116.55 123.96 2df4 n ASP 156 Ca 0.36 -0.02 -0.50 0.00 0.71 0.00 0.00 54.79 55.34 2df4 n ASP 156 Cb 0.11 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.62 2df4 n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2df4 n ILE 157 N -3.45 0.01 -0.15 0.53 0.13 -1.25 -4.90 119.36 110.28 2df4 n ILE 157 Ca -0.45 -0.00 0.05 0.00 -1.10 0.00 0.00 62.75 61.25 2df4 n ILE 157 Cb 0.98 -1.05 0.13 0.00 -0.84 0.00 0.00 39.64 38.86 2df4 n ILE 157 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2df4 n ARG 158 N 2.88 2.89 -3.51 9.51 5.12 -1.26 -3.05 116.66 129.24 2df4 n ARG 158 Ca 0.18 -1.97 -0.14 0.00 -1.93 0.00 0.00 57.85 53.99 2df4 n ARG 158 Cb 0.22 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 2df4 n ARG 158 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2df4 s SER 159 N -1.00 -0.55 0.49 0.55 1.04 -1.26 -4.51 113.70 108.46 2df4 s SER 159 Ca 0.20 0.41 0.21 0.00 0.48 0.00 0.00 55.95 57.25 2df4 s SER 159 Cb 0.10 0.49 1.14 0.00 0.10 0.00 0.00 66.02 67.85 2df4 s SER 159 CO 0.13 -0.63 1.59 1.55 0.98 0.00 0.00 173.24 176.86 2df4 h PRO 160 N 2.57 0.00 0.09 4.02 0.13 -1.91 0.11 132.00 137.01 2df4 h PRO 160 Ca -0.26 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.53 2df4 h PRO 160 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2df4 h PRO 160 CO 0.36 0.00 -1.87 1.63 -0.23 0.00 0.00 178.00 177.89 2df4 n LYS 161 N -2.45 0.71 0.24 0.86 4.76 -1.26 -3.47 118.16 117.54 2df4 n LYS 161 Ca -0.01 0.33 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 2df4 n LYS 161 Cb 0.35 -1.70 0.75 0.00 -1.84 0.00 0.00 35.03 32.59 2df4 n LYS 161 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2df4 h GLU 162 N -0.19 0.00 -0.01 1.97 5.08 -1.23 0.47 114.58 120.67 2df4 h GLU 162 Ca -0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2df4 h GLU 162 Cb 1.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 2df4 h GLU 162 CO 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2df4 h ALA 163 N 1.94 0.02 0.29 3.43 0.00 -1.33 -0.99 119.26 122.63 2df4 h ALA 163 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2df4 h ALA 163 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2df4 h ALA 163 CO -0.00 -0.30 -0.30 -0.92 0.00 0.00 0.00 179.25 177.74 2df4 h TYR 164 N -0.32 -0.80 -0.96 0.00 5.03 -1.09 -0.57 116.97 118.25 2df4 h TYR 164 Ca 0.00 0.01 0.23 0.00 2.58 0.00 0.00 58.73 61.55 2df4 h TYR 164 Cb 0.37 0.31 -0.08 0.00 1.55 0.00 0.00 36.73 38.88 2df4 h TYR 164 CO 0.05 -0.43 0.63 0.00 -1.32 0.00 0.00 178.16 177.09 2df4 h ALA 165 N -0.05 2.22 0.46 1.82 0.00 -0.97 -1.58 119.26 121.16 2df4 h ALA 165 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2df4 h ALA 165 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2df4 h ALA 165 CO -0.07 -0.55 -0.22 -0.92 0.00 0.00 0.00 179.25 177.49 2df4 h TYR 166 N 0.41 -0.57 -0.75 0.00 3.20 0.02 -2.37 116.97 116.90 2df4 h TYR 166 Ca 0.51 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.49 2df4 h TYR 166 Cb 1.30 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 39.67 2df4 h TYR 166 CO -0.00 -0.25 0.35 -0.07 -1.64 0.00 0.00 178.16 176.55 2df4 h LEU 167 N -0.98 0.40 -0.07 2.82 4.07 -0.49 -0.18 115.31 120.88 2df4 h LEU 167 Ca -0.06 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2df4 h LEU 167 Cb 0.58 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 2df4 h LEU 167 CO 0.10 0.19 0.03 -0.08 -1.08 0.00 0.00 178.44 177.60 2df4 h GLU 168 N 0.54 0.10 -0.56 1.13 4.81 -1.34 0.44 114.58 119.70 2df4 h GLU 168 Ca 0.40 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2df4 h GLU 168 Cb 0.52 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2df4 h GLU 168 CO -0.34 0.23 0.15 -0.22 -0.73 0.00 0.00 179.01 178.11 2df4 h LYS 169 N -0.05 0.85 0.55 1.92 3.11 -1.05 0.49 116.57 122.40 2df4 h LYS 169 Ca 0.02 -0.17 -0.03 0.00 -2.81 0.00 0.00 60.65 57.67 2df4 h LYS 169 Cb 0.17 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2df4 h LYS 169 CO -0.00 0.75 -0.26 1.25 -2.81 0.00 0.00 179.45 178.37 2df4 h LEU 170 N 0.82 -0.63 -0.66 5.20 5.85 -0.85 -0.51 115.31 124.54 2df4 h LEU 170 Ca 0.18 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.02 2df4 h LEU 170 Cb 0.27 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 2df4 h LEU 170 CO -0.01 -0.23 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.69 2df4 h ARG 171 N -1.13 0.05 0.26 1.25 1.12 0.01 0.18 114.38 116.11 2df4 h ARG 171 Ca -0.08 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2df4 h ARG 171 Cb 0.61 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.52 2df4 h ARG 171 CO 0.12 0.03 -0.48 1.03 -3.11 0.00 0.00 179.97 177.57 2df4 h SER 172 N 0.05 -1.38 -0.53 -3.80 0.87 0.05 -0.43 113.55 108.38 2df4 h SER 172 Ca 0.33 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2df4 h SER 172 Cb 0.53 0.49 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 2df4 h SER 172 CO -0.63 -0.57 0.30 0.40 -0.53 0.00 0.00 176.83 175.81 2df4 h ILE 173 N -0.80 1.01 -0.72 2.23 2.04 0.05 -2.18 117.51 119.14 2df4 h ILE 173 Ca -0.02 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2df4 h ILE 173 Cb 0.77 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2df4 h ILE 173 CO -0.19 0.11 0.44 0.40 0.00 0.00 0.00 178.15 178.91 2df4 h ILE 174 N 0.59 1.20 -0.96 -0.67 5.03 -0.85 -2.07 117.51 119.78 2df4 h ILE 174 Ca 0.22 -0.42 0.17 0.00 -0.12 0.00 0.00 64.86 64.71 2df4 h ILE 174 Cb 0.08 0.19 -0.09 0.00 -3.03 0.00 0.00 36.82 33.97 2df4 h ILE 174 CO -0.12 0.20 0.61 -0.61 -0.68 0.00 0.00 178.15 177.55 2df4 h GLN 175 N 0.98 0.71 0.00 2.37 -0.00 -0.45 -0.35 115.11 118.37 2df4 h GLN 175 Ca 0.26 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.81 2df4 h GLN 175 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.26 2df4 h GLN 175 CO -0.05 0.47 -0.29 1.88 0.00 0.00 0.00 178.83 180.85 2df4 h TYR 176 N 0.74 0.00 0.00 3.99 -1.99 -0.98 -2.58 116.97 116.14 2df4 h TYR 176 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 2df4 h TYR 176 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.55 2df4 h TYR 176 CO -0.00 0.29 0.00 0.25 -0.00 0.00 0.00 178.16 178.69 2df4 n THR 177 N -3.67 0.51 -2.61 -2.88 -2.24 -0.15 -4.79 114.28 98.45 2df4 n THR 177 Ca -0.01 0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 2df4 n THR 177 Cb 0.40 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 2df4 n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2df4 n GLY 178 N 0.80 -0.33 0.33 3.38 0.00 -0.97 -4.89 105.19 103.51 2df4 n GLY 178 Ca 0.05 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2df4 n GLY 178 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2df4 n VAL 179 N -4.16 0.00 -3.64 1.61 0.24 -1.26 -4.96 118.33 106.17 2df4 n VAL 179 Ca -0.15 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2df4 n VAL 179 Cb 0.63 1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 34.10 2df4 n VAL 179 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2df4 s SER 180 N -1.67 -0.35 0.00 -1.34 0.15 -1.26 -2.09 113.70 107.14 2df4 s SER 180 Ca 0.12 0.67 0.14 0.00 0.70 0.00 0.00 55.95 57.59 2df4 s SER 180 Cb 0.11 0.68 0.62 0.00 -1.71 0.00 0.00 66.02 65.73 2df4 s SER 180 CO 0.34 -0.12 1.46 0.47 1.20 0.00 0.00 173.24 176.59 2df4 n ASP 181 N 2.05 0.00 -3.47 5.45 8.00 -1.26 -4.49 116.55 122.83 2df4 n ASP 181 Ca -0.12 0.49 -0.23 0.00 0.71 0.00 0.00 54.79 55.64 2df4 n ASP 181 Cb 0.56 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2df4 n ASP 181 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2df4 n VAL 182 N -1.49 0.00 -3.48 2.53 0.24 -1.25 -4.92 118.33 109.96 2df4 n VAL 182 Ca 0.04 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.97 2df4 n VAL 182 Cb 0.17 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.20 2df4 n VAL 182 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2df4 s LYS 183 N -5.79 4.27 0.23 7.34 1.02 -1.26 -4.63 119.74 120.92 2df4 s LYS 183 Ca 0.45 0.17 0.11 0.00 0.02 0.00 0.00 55.97 56.72 2df4 s LYS 183 Cb -0.26 -3.44 0.17 0.00 -0.52 0.00 0.00 37.83 33.78 2df4 s LYS 183 CO 0.55 0.19 1.50 0.52 -0.92 0.00 0.00 175.35 177.19 2df4 h MET 184 N 6.79 0.00 0.00 1.68 2.86 -1.87 -1.31 114.93 123.07 2df4 h MET 184 Ca -0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2df4 h MET 184 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2df4 h MET 184 CO 0.75 0.71 0.00 0.39 1.06 0.00 0.00 176.91 179.82 2df4 n GLU 185 N -3.57 0.61 0.00 1.72 4.71 -1.26 -2.72 120.64 120.13 2df4 n GLU 185 Ca -0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2df4 n GLU 185 Cb 0.73 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 2df4 n GLU 185 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2df4 n GLU 186 N -1.09 3.29 -0.23 3.49 1.02 -1.09 -5.02 120.64 121.01 2df4 n GLU 186 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2df4 n GLU 186 Cb 0.11 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2df4 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2df4 n GLY 187 N 1.65 0.72 0.09 0.62 0.00 -0.64 -4.92 105.19 102.72 2df4 n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2df4 n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2df4 n SER 188 N 0.00 0.16 -3.31 1.61 3.41 -0.59 -4.45 113.62 110.44 2df4 n SER 188 Ca 0.00 -1.77 0.03 0.00 -0.26 0.00 0.00 58.87 56.86 2df4 n SER 188 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 2df4 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2df4 s LEU 189 N -0.82 -0.86 0.15 1.04 1.98 -1.19 -2.58 118.68 116.40 2df4 s LEU 189 Ca 0.00 0.82 0.09 0.00 -2.89 0.00 0.00 54.13 52.15 2df4 s LEU 189 Cb 0.00 1.83 -0.04 0.00 0.66 0.00 0.00 46.19 48.64 2df4 s LEU 189 CO 0.00 -0.16 -0.21 -0.13 -1.89 0.00 0.00 176.35 173.96 2df4 s ARG 190 N 2.76 1.28 -0.06 1.98 0.52 -0.68 -4.06 118.95 120.70 2df4 s ARG 190 Ca 0.03 -1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 53.85 2df4 s ARG 190 Cb -0.10 -1.48 0.02 0.00 0.52 0.00 0.00 34.95 33.91 2df4 s ARG 190 CO -0.17 0.32 0.16 0.00 0.02 0.00 0.00 175.30 175.63 2df4 s ASP 192 N 0.47 2.83 -0.03 0.00 1.11 -0.39 -4.36 116.67 116.30 2df4 s ASP 192 Ca -0.03 -0.55 0.06 0.00 0.18 0.00 0.00 52.55 52.21 2df4 s ASP 192 Cb -0.05 -0.25 -0.01 0.00 1.07 0.00 0.00 42.92 43.68 2df4 s ASP 192 CO -0.02 0.21 -0.21 0.00 1.18 0.00 0.00 175.17 176.33 2df4 s ALA 193 N -0.79 1.76 -0.18 5.23 0.00 -1.19 -0.48 121.76 126.12 2df4 s ALA 193 Ca 0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2df4 s ALA 193 Cb -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2df4 s ALA 193 CO 0.02 0.40 -0.08 -0.80 0.00 0.00 0.00 175.76 175.30 2df4 s ASN 194 N -0.33 4.23 -0.02 0.00 0.01 0.21 0.11 114.94 119.15 2df4 s ASN 194 Ca 0.04 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2df4 s ASN 194 Cb -0.10 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.87 2df4 s ASN 194 CO 0.00 0.07 -0.08 -0.51 -1.51 0.00 0.00 177.10 175.08 2df4 s ILE 195 N 0.93 0.65 -0.15 0.60 2.07 -0.70 -0.43 121.20 124.17 2df4 s ILE 195 Ca -0.01 -0.30 -0.19 0.00 -1.41 0.00 0.00 60.65 58.73 2df4 s ILE 195 Cb -0.15 -0.59 0.05 0.00 0.13 0.00 0.00 42.46 41.91 2df4 s ILE 195 CO 0.00 0.21 0.51 -0.55 -1.91 0.00 0.00 174.94 173.20 2df4 s SER 196 N 0.16 -0.50 -0.07 4.50 0.15 0.51 -1.86 113.70 116.59 2df4 s SER 196 Ca -0.02 0.85 -0.00 0.00 0.70 0.00 0.00 55.95 57.47 2df4 s SER 196 Cb -0.07 0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 2df4 s SER 196 CO 0.00 -0.28 -0.04 -0.76 1.20 0.00 0.00 173.24 173.36 2df4 s LEU 197 N -0.18 3.35 -0.18 3.45 1.02 -1.25 -0.16 118.68 124.72 2df4 s LEU 197 Ca -0.04 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 2df4 s LEU 197 Cb -0.03 -1.75 0.05 0.00 0.02 0.00 0.00 46.19 44.47 2df4 s LEU 197 CO 0.03 0.37 -0.01 0.00 0.02 0.00 0.00 176.35 176.75 2df4 s ARG 198 N -0.87 1.05 0.22 1.70 1.70 -1.08 -0.02 118.95 121.65 2df4 s ARG 198 Ca 0.13 -0.50 -0.32 0.00 -0.47 0.00 0.00 55.73 54.57 2df4 s ARG 198 Cb -0.11 -2.07 -0.12 0.00 -0.57 0.00 0.00 34.95 32.08 2df4 s ARG 198 CO 0.02 -0.54 1.66 -0.35 -1.08 0.00 0.00 175.30 175.01 2df4 n PRO 199 N 4.94 2.64 -1.00 3.89 -0.04 -1.17 -2.53 135.00 141.73 2df4 n PRO 199 Ca -0.10 0.95 -0.35 0.00 -0.04 0.00 0.00 63.50 63.96 2df4 n PRO 199 Cb 0.47 -2.76 0.08 0.00 -0.04 0.00 0.00 33.50 31.25 2df4 n PRO 199 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2df4 n TYR 200 N 3.42 -2.50 0.00 0.54 4.01 0.53 -3.22 117.16 119.94 2df4 n TYR 200 Ca 0.14 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 2df4 n TYR 200 Cb 0.34 -1.71 0.00 0.00 -0.31 0.00 0.00 39.34 37.67 2df4 n TYR 200 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2df4 n GLY 201 N 2.18 2.40 3.92 2.72 0.00 -1.26 -4.81 105.19 110.34 2df4 n GLY 201 Ca 0.05 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2df4 n GLY 201 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2df4 s GLN 202 N 0.00 2.91 0.09 1.61 -0.44 -1.20 -5.04 119.66 117.59 2df4 s GLN 202 Ca 0.00 -1.17 0.23 0.00 -2.50 0.00 0.00 55.36 51.92 2df4 s GLN 202 Cb 0.00 -2.64 0.01 0.00 -1.64 0.00 0.00 33.01 28.74 2df4 s GLN 202 CO 0.00 0.06 0.98 0.39 0.50 0.00 0.00 175.29 177.23 2df4 n GLU 203 N -1.51 0.43 -1.97 1.67 -0.58 -1.26 -4.77 120.64 112.64 2df4 n GLU 203 Ca -0.01 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 2df4 n GLU 203 Cb 0.59 -1.66 0.03 0.00 -0.57 0.00 0.00 31.44 29.84 2df4 n GLU 203 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2df4 s LYS 204 N -3.28 2.96 0.40 3.49 2.47 -1.26 -5.05 119.74 119.46 2df4 s LYS 204 Ca 0.01 1.68 0.08 0.00 -1.56 0.00 0.00 55.97 56.17 2df4 s LYS 204 Cb 0.13 -1.94 -0.04 0.00 -1.46 0.00 0.00 37.83 34.52 2df4 s LYS 204 CO 0.81 -1.18 0.27 -0.06 0.16 0.00 0.00 175.35 175.34 2df4 s PHE 205 N -1.83 2.69 0.00 4.03 0.40 -1.26 -4.31 117.98 117.70 2df4 s PHE 205 Ca 0.74 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 2df4 s PHE 205 Cb -0.27 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.28 2df4 s PHE 205 CO 0.34 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.75 2df4 n GLY 206 N -1.36 0.78 3.90 4.36 0.00 0.98 -4.97 105.19 108.87 2df4 n GLY 206 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2df4 n GLY 206 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2df4 s THR 207 N 2.33 4.52 -0.07 2.61 -1.32 -1.26 -4.53 115.64 117.92 2df4 s THR 207 Ca 0.00 0.29 -0.01 0.00 -1.21 0.00 0.00 61.69 60.76 2df4 s THR 207 Cb 0.00 -3.75 0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2df4 s THR 207 CO 0.00 -0.80 -0.02 -0.75 -2.21 0.00 0.00 174.62 170.84 2df4 s LYS 208 N -4.91 0.71 0.09 7.08 2.20 -1.02 -3.97 119.74 119.93 2df4 s LYS 208 Ca 0.51 0.03 0.08 0.00 -0.36 0.00 0.00 55.97 56.23 2df4 s LYS 208 Cb -0.10 -0.96 -0.03 0.00 -1.51 0.00 0.00 37.83 35.23 2df4 s LYS 208 CO 0.47 -0.23 -0.21 0.00 -0.36 0.00 0.00 175.35 175.01 2df4 s ALA 209 N 1.63 1.81 -0.29 3.13 0.00 -0.77 -0.97 121.76 126.29 2df4 s ALA 209 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 2df4 s ALA 209 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2df4 s ALA 209 CO -0.04 0.37 0.12 -2.00 0.00 0.00 0.00 175.76 174.21 2df4 s GLU 210 N -1.81 3.43 -0.23 0.00 2.12 -0.20 -1.72 118.70 120.30 2df4 s GLU 210 Ca 0.07 -0.64 -0.23 0.00 0.36 0.00 0.00 54.97 54.52 2df4 s GLU 210 Cb -0.10 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2df4 s GLU 210 CO 0.04 -0.34 0.77 -0.51 -0.54 0.00 0.00 175.26 174.68 2df4 s LEU 211 N 1.61 4.10 0.19 2.70 1.43 0.12 -0.29 118.68 128.53 2df4 s LEU 211 Ca 0.05 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2df4 s LEU 211 Cb -0.16 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2df4 s LEU 211 CO 0.05 -0.45 -0.03 -0.54 0.23 0.00 0.00 176.35 175.62 2df4 s LYS 212 N 2.58 2.28 -0.12 1.70 -0.14 0.16 -3.16 119.74 123.05 2df4 s LYS 212 Ca 0.33 -1.19 -0.00 0.00 -1.36 0.00 0.00 55.97 53.75 2df4 s LYS 212 Cb -0.16 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.72 2df4 s LYS 212 CO 0.09 0.44 0.03 -1.71 -0.76 0.00 0.00 175.35 173.43 2df4 n ASN 213 N -0.15 -1.65 -4.51 2.83 5.15 -1.26 -0.89 115.26 114.78 2df4 n ASN 213 Ca -0.10 -0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.44 2df4 n ASN 213 Cb 0.56 -0.82 -0.07 0.00 -0.53 0.00 0.00 39.78 38.92 2df4 n ASN 213 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2df4 s LEU 214 N -0.75 4.56 0.00 1.20 1.43 -1.26 -4.65 118.68 119.21 2df4 s LEU 214 Ca 0.01 -0.43 0.14 0.00 -1.03 0.00 0.00 54.13 52.82 2df4 s LEU 214 Cb -0.01 -2.68 0.12 0.00 0.03 0.00 0.00 46.19 43.66 2df4 s LEU 214 CO 0.02 -0.81 0.97 0.59 0.23 0.00 0.00 176.35 177.35 2df4 n ASN 215 N 6.28 2.23 -3.68 2.29 3.02 -1.26 -4.33 115.26 119.81 2df4 n ASN 215 Ca -0.02 -1.61 -0.14 0.00 -0.03 0.00 0.00 54.58 52.77 2df4 n ASN 215 Cb 0.47 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.55 2df4 n ASN 215 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2df4 s SER 216 N -1.19 -0.40 0.24 6.41 1.04 -1.26 -4.47 113.70 114.07 2df4 s SER 216 Ca 0.17 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 2df4 s SER 216 Cb 0.12 0.57 0.32 0.00 0.10 0.00 0.00 66.02 67.14 2df4 s SER 216 CO 0.18 -0.40 1.57 -0.26 0.98 0.00 0.00 173.24 175.31 2df4 h PHE 217 N 4.12 -0.72 -0.01 5.02 -1.00 -2.00 0.86 116.94 123.22 2df4 h PHE 217 Ca -0.28 0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.56 2df4 h PHE 217 Cb 1.17 0.45 -0.00 0.00 3.61 0.00 0.00 35.95 41.17 2df4 h PHE 217 CO 0.45 -0.40 -0.13 -0.97 -1.61 0.00 0.00 178.31 175.66 2df4 h ASN 218 N -0.02 0.01 0.02 2.17 -1.24 -1.99 -3.03 115.58 111.50 2df4 h ASN 218 Ca 0.39 -0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.15 2df4 h ASN 218 Cb 0.63 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.69 2df4 h ASN 218 CO -0.92 0.14 -0.93 1.88 -1.29 0.00 0.00 177.43 176.31 2df4 h TYR 219 N 0.01 0.96 -0.80 0.67 0.05 0.31 -2.91 116.97 115.27 2df4 h TYR 219 Ca 0.00 -0.48 0.02 0.00 0.05 0.00 0.00 58.73 58.32 2df4 h TYR 219 Cb 0.23 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 2df4 h TYR 219 CO 0.00 1.31 0.53 -0.39 -1.05 0.00 0.00 178.16 178.56 2df4 h VAL 220 N 0.41 1.18 -0.13 -2.88 -1.51 -1.11 -1.43 116.25 110.78 2df4 h VAL 220 Ca -0.09 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 2df4 h VAL 220 Cb 1.57 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2df4 h VAL 220 CO 0.18 0.19 0.02 -0.09 -1.23 0.00 0.00 177.57 176.64 2df4 h ARG 221 N 1.04 0.21 0.04 5.19 2.43 -1.58 0.16 114.38 121.88 2df4 h ARG 221 Ca 0.30 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2df4 h ARG 221 Cb -0.06 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 2df4 h ARG 221 CO -0.07 0.42 -0.40 0.87 -1.51 0.00 0.00 179.97 179.27 2df4 h LYS 222 N -0.02 -0.56 -0.15 0.20 1.79 -1.18 0.19 116.57 116.83 2df4 h LYS 222 Ca 0.04 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2df4 h LYS 222 Cb 0.31 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2df4 h LYS 222 CO 0.00 -0.37 0.05 0.78 -1.08 0.00 0.00 179.45 178.83 2df4 h GLY 223 N -0.58 0.26 0.07 3.86 0.00 -1.29 -0.84 103.07 104.55 2df4 h GLY 223 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.23 2df4 h GLY 223 CO -0.28 0.14 -0.42 -2.00 0.00 0.00 0.00 176.54 173.98 2df4 h LEU 224 N 0.07 -1.28 -2.04 3.11 5.85 -0.33 0.84 115.31 121.53 2df4 h LEU 224 Ca 0.05 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2df4 h LEU 224 Cb 0.22 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2df4 h LEU 224 CO -0.00 -0.44 -0.09 1.05 -0.34 0.00 0.00 178.44 178.63 2df4 h GLU 225 N -0.58 0.00 0.10 1.25 4.11 -0.65 0.31 114.58 119.11 2df4 h GLU 225 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2df4 h GLU 225 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2df4 h GLU 225 CO -0.24 0.09 -0.05 -0.92 0.07 0.00 0.00 179.01 177.96 2df4 h TYR 226 N 0.00 -0.12 -0.56 2.06 5.03 -0.06 -2.56 116.97 120.76 2df4 h TYR 226 Ca -0.00 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.40 2df4 h TYR 226 Cb 0.20 0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.44 2df4 h TYR 226 CO 0.00 0.38 0.16 1.49 -1.32 0.00 0.00 178.16 178.86 2df4 h GLU 227 N -0.72 0.30 -0.47 1.82 4.57 0.12 0.62 114.58 120.83 2df4 h GLU 227 Ca -0.01 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2df4 h GLU 227 Cb 0.55 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.98 2df4 h GLU 227 CO 0.02 0.20 -0.27 1.49 -1.18 0.00 0.00 179.01 179.27 2df4 h GLU 228 N 0.31 -0.16 -0.22 1.92 4.81 -0.39 0.28 114.58 121.12 2df4 h GLU 228 Ca 0.28 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2df4 h GLU 228 Cb 0.38 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2df4 h GLU 228 CO -0.33 -0.11 -0.28 0.87 -0.73 0.00 0.00 179.01 178.43 2df4 h LYS 229 N -0.17 0.44 0.56 1.92 6.56 -0.71 -1.07 116.57 124.10 2df4 h LYS 229 Ca 0.21 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2df4 h LYS 229 Cb 0.50 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 2df4 h LYS 229 CO -0.57 0.68 -0.43 -0.09 -2.06 0.00 0.00 179.45 176.99 2df4 h ARG 230 N 0.39 -0.93 -0.00 3.15 2.43 0.35 -1.93 114.38 117.84 2df4 h ARG 230 Ca 0.05 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2df4 h ARG 230 Cb 0.69 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2df4 h ARG 230 CO 0.05 -0.62 -0.01 0.00 -1.51 0.00 0.00 179.97 177.88 2df4 n GLN 231 N -5.54 0.75 -0.05 0.20 10.64 0.13 -2.94 117.38 120.57 2df4 n GLN 231 Ca -0.12 -0.03 -0.15 0.00 -1.83 0.00 0.00 57.00 54.87 2df4 n GLN 231 Cb 0.43 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.24 2df4 n GLN 231 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2df4 h GLU 232 N 0.08 0.53 0.38 2.61 4.81 -0.44 -1.59 114.58 120.97 2df4 h GLU 232 Ca 0.00 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 2df4 h GLU 232 Cb 0.16 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2df4 h GLU 232 CO 0.00 0.97 -0.18 0.93 -0.73 0.00 0.00 179.01 179.99 2df4 h GLU 233 N 0.17 -0.49 -0.78 1.92 5.08 -1.29 -2.76 114.58 116.43 2df4 h GLU 233 Ca 0.00 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2df4 h GLU 233 Cb 0.96 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2df4 h GLU 233 CO 0.08 -0.21 -0.37 0.93 -1.00 0.00 0.00 179.01 178.44 2df4 h GLU 234 N -0.74 -0.09 -0.77 2.33 4.39 -1.54 1.02 114.58 119.18 2df4 h GLU 234 Ca -0.05 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.75 2df4 h GLU 234 Cb 0.51 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 2df4 h GLU 234 CO 0.09 -0.06 0.42 1.25 -1.16 0.00 0.00 179.01 179.54 2df4 h LEU 235 N -0.09 0.57 0.00 1.33 5.85 -1.25 1.16 115.31 122.88 2df4 h LEU 235 Ca 0.28 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2df4 h LEU 235 Cb 0.57 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2df4 h LEU 235 CO -0.82 0.33 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.53 2df4 h LEU 236 N 0.70 0.00 -0.98 2.25 4.07 -0.44 -3.39 115.31 117.53 2df4 h LEU 236 Ca 0.38 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.60 2df4 h LEU 236 Cb 0.37 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 41.93 2df4 h LEU 236 CO -0.26 0.06 0.02 0.78 -1.08 0.00 0.00 178.44 177.96 2df4 h ASN 237 N -0.11 -0.48 0.00 -0.43 4.21 0.85 -3.44 115.58 116.18 2df4 h ASN 237 Ca 0.00 0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.79 2df4 h ASN 237 Cb 0.00 0.48 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2df4 h ASN 237 CO 0.00 -0.35 0.00 0.61 -1.29 0.00 0.00 177.43 176.40 2df4 n GLY 238 N -1.50 -1.65 1.69 2.83 0.00 -0.54 -5.06 105.19 100.96 2df4 n GLY 238 Ca 0.23 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2df4 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df4 n GLY 239 N 0.00 -2.85 3.23 -0.02 0.00 0.39 -4.68 105.19 101.26 2df4 n GLY 239 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2df4 n GLY 239 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2df4 s GLU 240 N -1.94 2.47 0.20 1.61 2.56 -1.26 -4.89 118.70 117.46 2df4 s GLU 240 Ca 0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 54.97 53.15 2df4 s GLU 240 Cb 0.00 -3.67 -0.14 0.00 2.00 0.00 0.00 34.13 32.32 2df4 s GLU 240 CO 0.00 -0.93 1.35 1.51 -0.56 0.00 0.00 175.26 176.63 2df4 n ILE 241 N 4.82 0.78 -3.61 -3.70 0.00 -1.26 -4.85 119.36 111.54 2df4 n ILE 241 Ca -0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 62.75 62.39 2df4 n ILE 241 Cb 0.43 -1.26 -0.05 0.00 0.00 0.00 0.00 39.64 38.76 2df4 n ILE 241 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2df4 s GLY 242 N 0.28 -0.11 -0.24 4.50 0.00 -1.26 -4.96 107.32 105.53 2df4 s GLY 242 Ca 0.72 2.41 -0.24 0.00 0.00 0.00 0.00 44.72 47.61 2df4 s GLY 242 CO 0.49 1.16 0.81 1.62 0.00 0.00 0.00 173.10 177.18 2df4 s GLN 243 N -0.92 4.19 0.22 2.90 2.00 -1.26 -2.44 119.66 124.35 2df4 s GLN 243 Ca 0.02 0.90 -0.02 0.00 -2.00 0.00 0.00 55.36 54.27 2df4 s GLN 243 Cb -0.01 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.13 2df4 s GLN 243 CO -0.03 -0.49 0.20 -1.83 -0.50 0.00 0.00 175.29 172.65 2df4 s GLU 244 N 2.73 1.32 -0.05 1.67 -1.05 -0.15 -0.93 118.70 122.26 2df4 s GLU 244 Ca 0.34 -1.62 0.05 0.00 -0.15 0.00 0.00 54.97 53.59 2df4 s GLU 244 Cb -0.15 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2df4 s GLU 244 CO 0.08 -0.46 -0.20 0.99 0.95 0.00 0.00 175.26 176.62 2df4 s THR 245 N -4.04 1.62 -0.01 1.83 2.01 -0.78 -1.03 115.64 115.23 2df4 s THR 245 Ca 0.37 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2df4 s THR 245 Cb 0.05 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2df4 s THR 245 CO 0.13 0.46 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.28 2df4 s ARG 246 N -0.04 0.97 -0.16 4.92 0.52 0.60 -2.52 118.95 123.24 2df4 s ARG 246 Ca -0.03 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 2df4 s ARG 246 Cb -0.12 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.38 2df4 s ARG 246 CO 0.02 0.22 0.17 -0.98 0.02 0.00 0.00 175.30 174.76 2df4 s ARG 247 N -0.16 3.99 -0.23 3.54 1.70 0.84 0.40 118.95 129.03 2df4 s ARG 247 Ca 0.02 -0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 54.98 2df4 s ARG 247 Cb -0.06 -3.35 -0.02 0.00 -0.57 0.00 0.00 34.95 30.95 2df4 s ARG 247 CO -0.00 0.43 0.58 0.12 -1.08 0.00 0.00 175.30 175.35 2df4 s PHE 248 N -0.06 3.32 -0.52 5.89 5.36 -0.07 0.16 117.98 132.06 2df4 s PHE 248 Ca 0.12 0.79 -0.24 0.00 -0.96 0.00 0.00 56.93 56.64 2df4 s PHE 248 Cb -0.12 -2.77 0.04 0.00 -0.34 0.00 0.00 43.02 39.83 2df4 s PHE 248 CO 0.01 -0.24 0.91 0.34 -1.46 0.00 0.00 175.22 174.79 2df4 s ASP 249 N 1.37 6.38 0.25 6.13 -1.08 0.11 -4.85 116.67 124.98 2df4 s ASP 249 Ca 0.25 -0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 52.02 2df4 s ASP 249 Cb -0.16 -2.43 0.48 0.00 -1.46 0.00 0.00 42.92 39.35 2df4 s ASP 249 CO 0.09 -1.14 1.69 -0.33 0.52 0.00 0.00 175.17 176.00 2df4 h GLU 250 N 9.21 0.29 0.52 4.34 5.08 -1.90 0.11 114.58 132.22 2df4 h GLU 250 Ca -0.25 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2df4 h GLU 250 Cb 1.08 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.26 2df4 h GLU 250 CO 1.06 0.19 -0.25 0.66 -1.00 0.00 0.00 179.01 179.67 2df4 h SER 251 N 0.30 -0.59 0.38 1.42 4.64 -1.96 -3.32 113.55 114.43 2df4 h SER 251 Ca 0.42 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 2df4 h SER 251 Cb 0.72 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2df4 h SER 251 CO -0.50 -0.31 -0.38 0.71 -0.87 0.00 0.00 176.83 175.49 2df4 h THR 252 N -0.93 1.26 0.00 2.95 1.35 -1.98 -3.47 112.91 112.10 2df4 h THR 252 Ca -0.07 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2df4 h THR 252 Cb 0.53 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2df4 h THR 252 CO 0.12 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2df4 n GLY 253 N -0.44 0.60 3.55 5.82 0.00 0.37 -5.05 105.19 110.03 2df4 n GLY 253 Ca -0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2df4 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2df4 s LYS 254 N -0.69 1.98 -0.06 1.61 1.02 -1.24 -4.77 119.74 117.59 2df4 s LYS 254 Ca 0.00 -1.43 -0.10 0.00 0.02 0.00 0.00 55.97 54.46 2df4 s LYS 254 Cb 0.00 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 2df4 s LYS 254 CO 0.00 0.39 0.26 0.95 -0.92 0.00 0.00 175.35 176.04 2df4 s THR 255 N -2.00 5.29 -0.11 2.17 -4.23 -1.26 -0.71 115.64 114.79 2df4 s THR 255 Ca 0.27 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2df4 s THR 255 Cb -0.07 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 2df4 s THR 255 CO 0.16 0.58 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.07 2df4 s ILE 256 N -1.08 3.21 -0.15 2.99 1.09 0.42 -4.89 121.20 122.79 2df4 s ILE 256 Ca 0.20 -0.62 -0.29 0.00 -1.10 0.00 0.00 60.65 58.83 2df4 s ILE 256 Cb -0.14 -2.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.90 2df4 s ILE 256 CO 0.09 0.54 1.42 -0.22 -0.10 0.00 0.00 174.94 176.67 2df4 s LEU 257 N 0.04 4.18 0.00 2.97 1.98 -1.26 -0.11 118.68 126.48 2df4 s LEU 257 Ca -0.04 1.82 0.11 0.00 -2.89 0.00 0.00 54.13 53.13 2df4 s LEU 257 Cb -0.14 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.10 2df4 s LEU 257 CO 0.04 -0.88 0.54 1.15 -1.89 0.00 0.00 176.35 175.31 2df4 n MET 258 N 6.91 2.89 0.00 1.98 0.00 -1.05 -4.94 117.12 122.91 2df4 n MET 258 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.59 2df4 n MET 258 Cb 0.44 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.61 2df4 n MET 258 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2df4 n ARG 259 N -0.84 0.00 -3.83 3.17 0.63 -1.23 -5.05 116.66 109.51 2df4 n ARG 259 Ca 0.03 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.60 2df4 n ARG 259 Cb 0.19 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.97 2df4 n ARG 259 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2df4 s VAL 260 N -1.54 3.71 0.11 5.15 1.01 -1.26 -1.87 120.40 125.72 2df4 s VAL 260 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 61.98 61.12 2df4 s VAL 260 Cb 0.00 -2.79 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 2df4 s VAL 260 CO 0.00 0.28 1.68 0.29 0.00 0.00 0.00 175.10 177.35 2df4 n LYS 261 N 4.83 2.28 0.00 2.72 4.76 -0.10 -4.86 118.16 127.79 2df4 n LYS 261 Ca -0.16 0.82 0.13 0.00 -2.87 0.00 0.00 58.31 56.23 2df4 n LYS 261 Cb 0.50 -2.63 0.52 0.00 -1.84 0.00 0.00 35.03 31.58 2df4 n LYS 261 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2df4 n GLU 262 N 4.32 0.05 0.00 1.97 0.28 -1.26 -4.72 120.64 121.28 2df4 n GLU 262 Ca 0.18 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2df4 n GLU 262 Cb 0.30 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.67 2df4 n GLU 262 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2df4 n GLY 263 N 1.48 -0.73 3.50 -1.84 0.00 -1.26 -5.10 105.19 101.24 2df4 n GLY 263 Ca 0.07 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2df4 n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2df4 s SER 264 N -4.00 5.84 -0.32 1.61 0.15 -1.26 -5.02 113.70 110.69 2df4 s SER 264 Ca 0.00 -0.41 -0.44 0.00 0.70 0.00 0.00 55.95 55.80 2df4 s SER 264 Cb 0.00 -2.08 -0.20 0.00 -1.71 0.00 0.00 66.02 62.03 2df4 s SER 264 CO 0.00 -0.19 1.44 0.47 1.20 0.00 0.00 173.24 176.15 2df4 n ASP 265 N 5.05 0.90 -4.55 5.45 8.00 -1.26 -4.87 116.55 125.26 2df4 n ASP 265 Ca -0.13 1.17 -0.43 0.00 0.71 0.00 0.00 54.79 56.11 2df4 n ASP 265 Cb 0.50 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 2df4 n ASP 265 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2df4 s ASP 266 N 2.04 6.42 0.00 -2.24 -1.08 -1.26 -4.88 116.67 115.67 2df4 s ASP 266 Ca 1.00 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 53.16 2df4 s ASP 266 Cb -1.40 -2.37 0.37 0.00 -1.46 0.00 0.00 42.92 38.07 2df4 s ASP 266 CO 0.73 -0.81 1.29 -1.22 0.52 0.00 0.00 175.17 175.67 2df4 n TYR 267 N 6.48 0.51 -4.01 -5.34 4.01 -1.26 -4.96 117.16 112.58 2df4 n TYR 267 Ca 0.01 -0.36 -0.35 0.00 -0.16 0.00 0.00 57.90 57.03 2df4 n TYR 267 Cb 0.48 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.49 2df4 n TYR 267 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2df4 n ARG 268 N 1.00 -0.50 -1.99 -0.72 1.74 -1.26 -2.09 116.66 112.84 2df4 n ARG 268 Ca 0.15 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 2df4 n ARG 268 Cb 0.49 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 2df4 n ARG 268 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2df4 s TYR 269 N -3.89 2.96 -0.26 -1.55 2.02 -1.26 -4.59 117.35 110.78 2df4 s TYR 269 Ca 0.30 1.07 -0.25 0.00 -0.37 0.00 0.00 57.07 57.82 2df4 s TYR 269 Cb -0.17 -3.84 0.10 0.00 -0.40 0.00 0.00 41.96 37.65 2df4 s TYR 269 CO 0.80 -2.67 0.88 -0.59 -1.57 0.00 0.00 175.55 172.40 2df4 s PHE 270 N -0.27 -0.62 -0.29 2.71 -0.12 -1.21 -4.96 117.98 113.22 2df4 s PHE 270 Ca 0.58 1.48 -0.42 0.00 -0.05 0.00 0.00 56.93 58.52 2df4 s PHE 270 Cb -0.43 0.33 -0.17 0.00 -0.63 0.00 0.00 43.02 42.12 2df4 s PHE 270 CO 0.47 -0.31 1.61 -2.30 -0.05 0.00 0.00 175.22 174.64 2df4 n PRO 271 N 2.33 0.70 -1.84 1.99 -0.02 -1.26 -0.36 135.00 136.53 2df4 n PRO 271 Ca -0.13 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 2df4 n PRO 271 Cb 0.56 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 2df4 n PRO 271 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2df4 s GLU 272 N 2.81 3.29 0.36 -0.52 2.56 0.38 -4.78 118.70 122.81 2df4 s GLU 272 Ca 0.99 1.70 0.15 0.00 0.00 0.00 0.00 54.97 57.81 2df4 s GLU 272 Cb -1.21 -4.26 0.69 0.00 2.00 0.00 0.00 34.13 31.35 2df4 s GLU 272 CO 0.68 -1.91 1.78 -1.00 -0.56 0.00 0.00 175.26 174.25 2df4 h PRO 273 N 13.60 0.00 0.00 4.30 0.13 -1.89 -3.11 132.00 145.03 2df4 h PRO 273 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2df4 h PRO 273 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2df4 h PRO 273 CO 1.00 0.41 0.00 -0.25 -0.23 0.00 0.00 178.00 178.93 2df4 n ASP 274 N -3.85 0.44 -4.09 1.44 8.00 -1.26 -4.51 116.55 112.72 2df4 n ASP 274 Ca -0.01 0.62 -0.33 0.00 0.71 0.00 0.00 54.79 55.79 2df4 n ASP 274 Cb 0.46 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 2df4 n ASP 274 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2df4 s ILE 275 N -3.24 2.20 0.48 0.53 1.01 -1.18 -4.79 121.20 116.21 2df4 s ILE 275 Ca 0.04 -1.40 -0.24 0.00 0.00 0.00 0.00 60.65 59.05 2df4 s ILE 275 Cb 0.08 -2.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.30 2df4 s ILE 275 CO 0.31 0.14 1.41 0.54 0.00 0.00 0.00 174.94 177.35 2df4 s VAL 276 N 1.17 2.03 0.85 2.92 0.11 -1.26 -4.79 120.40 121.43 2df4 s VAL 276 Ca -0.04 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 2df4 s VAL 276 Cb -0.18 -3.01 0.03 0.00 -1.53 0.00 0.00 36.38 31.68 2df4 s VAL 276 CO -0.07 0.00 0.63 -2.65 -3.33 0.00 0.00 175.10 169.68 2df4 n PRO 277 N -0.48 -0.03 -4.19 1.54 -0.02 -1.26 -4.95 135.00 125.62 2df4 n PRO 277 Ca 0.07 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2df4 n PRO 277 Cb 0.43 -1.98 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 2df4 n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2df4 s LEU 278 N -1.95 3.84 -0.49 2.45 1.43 -0.59 -4.99 118.68 118.38 2df4 s LEU 278 Ca 0.63 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2df4 s LEU 278 Cb -0.27 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.10 2df4 s LEU 278 CO 0.61 0.35 0.32 -0.47 0.23 0.00 0.00 176.35 177.39 2df4 s TYR 279 N -1.01 2.14 -0.43 0.29 5.04 -1.26 -1.49 117.35 120.63 2df4 s TYR 279 Ca 0.16 -2.60 -0.28 0.00 -2.44 0.00 0.00 57.07 51.91 2df4 s TYR 279 Cb -0.12 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.34 2df4 s TYR 279 CO 0.06 -0.74 1.55 0.42 -1.34 0.00 0.00 175.55 175.50 2df4 s ILE 280 N -0.11 3.72 0.66 3.14 1.01 0.87 -4.98 121.20 125.51 2df4 s ILE 280 Ca 0.23 0.70 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 2df4 s ILE 280 Cb -0.14 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.34 2df4 s ILE 280 CO -0.08 -0.75 0.93 1.51 0.00 0.00 0.00 174.94 176.56 2df4 s ASP 281 N 4.93 4.76 0.09 3.58 -4.77 -1.26 -4.53 116.67 119.47 2df4 s ASP 281 Ca 0.65 0.02 -0.35 0.00 -3.30 0.00 0.00 52.55 49.58 2df4 s ASP 281 Cb -0.15 -0.65 -0.16 0.00 -1.09 0.00 0.00 42.92 40.86 2df4 s ASP 281 CO 0.31 -1.57 1.58 0.44 0.70 0.00 0.00 175.17 176.63 2df4 h ASP 282 N -0.38 -1.22 -0.91 2.11 3.32 -1.98 0.29 116.42 117.66 2df4 h ASP 282 Ca -0.41 0.09 0.23 0.00 0.02 0.00 0.00 57.03 56.96 2df4 h ASP 282 Cb 1.29 0.39 -0.17 0.00 0.22 0.00 0.00 39.33 41.07 2df4 h ASP 282 CO 0.50 -0.64 -0.02 0.00 -1.72 0.00 0.00 179.24 177.37 2df4 h ALA 283 N -0.74 0.97 0.05 3.45 0.00 -1.99 0.54 119.26 121.53 2df4 h ALA 283 Ca -0.06 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2df4 h ALA 283 Cb 0.83 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2df4 h ALA 283 CO -0.02 -0.49 -0.02 2.35 0.00 0.00 0.00 179.25 181.06 2df4 h TRP 284 N 0.04 -0.06 -0.16 0.00 2.91 -1.86 -0.97 115.95 115.86 2df4 h TRP 284 Ca 0.52 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.58 2df4 h TRP 284 Cb 0.99 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.65 2df4 h TRP 284 CO -0.51 0.16 0.12 0.87 -1.03 0.00 0.00 178.44 178.05 2df4 h LYS 285 N -0.27 0.00 0.10 2.65 1.57 0.17 -2.36 116.57 118.43 2df4 h LYS 285 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2df4 h LYS 285 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2df4 h LYS 285 CO 0.01 0.00 -0.05 0.93 -0.57 0.00 0.00 179.45 179.77 2df4 h GLU 286 N 0.00 -0.13 -1.00 3.15 4.39 0.23 0.14 114.58 121.36 2df4 h GLU 286 Ca 0.08 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.96 2df4 h GLU 286 Cb 0.32 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 28.82 2df4 h GLU 286 CO -0.00 0.39 -0.33 0.54 -1.16 0.00 0.00 179.01 178.45 2df4 n ARG 287 N -4.84 -0.17 0.19 2.33 1.74 -0.40 0.11 116.66 115.62 2df4 n ARG 287 Ca -0.08 1.55 0.12 0.00 -0.77 0.00 0.00 57.85 58.67 2df4 n ARG 287 Cb 0.28 -2.30 0.19 0.00 -1.02 0.00 0.00 32.46 29.61 2df4 n ARG 287 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2df4 h VAL 288 N 0.00 0.00 0.42 1.55 -1.51 -1.54 -3.12 116.25 112.05 2df4 h VAL 288 Ca 0.41 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 2df4 h VAL 288 Cb 0.66 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 2df4 h VAL 288 CO -1.01 0.00 -0.20 -0.09 -1.23 0.00 0.00 177.57 175.04 2df4 h ARG 289 N 0.00 -0.55 -0.98 5.19 9.65 0.37 -3.19 114.38 124.87 2df4 h ARG 289 Ca 0.00 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 2df4 h ARG 289 Cb 0.96 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.59 2df4 h ARG 289 CO 0.00 -0.24 0.63 0.37 2.80 0.00 0.00 179.97 183.52 2df4 h GLN 290 N -0.86 1.08 -0.78 0.20 -0.00 -0.99 -2.92 115.11 110.84 2df4 h GLN 290 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2df4 h GLN 290 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.79 2df4 h GLN 290 CO 0.10 0.72 0.00 -2.37 0.00 0.00 0.00 178.83 177.27 2df4 n THR 291 N -4.54 0.07 -4.87 2.39 5.66 -1.18 -4.63 114.28 107.18 2df4 n THR 291 Ca 0.16 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.83 2df4 n THR 291 Cb 0.21 -0.27 -0.14 0.00 -1.55 0.00 0.00 70.33 68.58 2df4 n THR 291 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2df4 s ILE 292 N -0.34 2.96 0.00 1.09 1.01 -1.11 -5.06 121.20 119.75 2df4 s ILE 292 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2df4 s ILE 292 Cb 0.00 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2df4 s ILE 292 CO 0.00 0.55 0.00 -2.65 0.00 0.00 0.00 174.94 172.84 2df4 n PRO 293 N 3.05 1.49 -3.10 2.79 -0.02 -1.26 -5.00 135.00 132.95 2df4 n PRO 293 Ca -0.18 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.86 2df4 n PRO 293 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 2df4 n PRO 293 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2df4 s GLU 294 N 0.62 3.10 0.91 -0.52 2.02 -1.26 -5.04 118.70 118.52 2df4 s GLU 294 Ca 0.00 -1.02 -0.11 0.00 0.02 0.00 0.00 54.97 53.87 2df4 s GLU 294 Cb 0.00 -4.17 0.13 0.00 0.10 0.00 0.00 34.13 30.19 2df4 s GLU 294 CO 0.00 -1.41 1.08 1.28 0.02 0.00 0.00 175.26 176.23 2df4 n LEU 295 N 6.43 3.12 -0.33 1.80 7.99 -1.26 -4.56 117.00 130.19 2df4 n LEU 295 Ca -0.07 0.43 0.17 0.00 -0.01 0.00 0.00 56.01 56.53 2df4 n LEU 295 Cb 0.44 -1.46 0.33 0.00 -0.11 0.00 0.00 43.42 42.63 2df4 n LEU 295 CO 0.57 -2.25 0.86 -0.65 -1.51 0.00 0.00 177.39 174.42 2df4 h PRO 296 N -1.74 0.04 0.45 3.23 0.11 -1.92 -0.10 132.00 132.07 2df4 h PRO 296 Ca -0.43 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2df4 h PRO 296 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2df4 h PRO 296 CO 0.41 0.03 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.57 2df4 h ASP 297 N 0.04 -0.52 0.41 -2.05 3.32 -1.94 0.26 116.42 115.94 2df4 h ASP 297 Ca 0.63 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.69 2df4 h ASP 297 Cb 1.36 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 2df4 h ASP 297 CO -0.85 -0.36 -0.01 -0.33 -1.72 0.00 0.00 179.24 175.97 2df4 h GLU 298 N -0.63 0.00 0.00 3.56 3.07 -1.89 0.13 114.58 118.82 2df4 h GLU 298 Ca -0.06 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.64 2df4 h GLU 298 Cb 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2df4 h GLU 298 CO 0.10 0.01 -0.75 -0.09 -1.40 0.00 0.00 179.01 176.89 2df4 h ARG 299 N 0.00 0.00 0.20 2.33 2.43 -0.83 -2.75 114.38 115.76 2df4 h ARG 299 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 2df4 h ARG 299 Cb 0.22 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2df4 h ARG 299 CO 0.00 0.75 -1.62 -0.22 -1.51 0.00 0.00 179.97 177.37 2df4 h LYS 300 N 0.00 0.43 0.00 0.20 3.64 0.17 -3.24 116.57 117.77 2df4 h LYS 300 Ca -0.01 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 2df4 h LYS 300 Cb 1.49 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2df4 h LYS 300 CO 0.10 1.34 0.00 0.00 -2.27 0.00 0.00 179.45 178.62 2df4 h ALA 301 N 0.19 1.00 -0.00 5.00 0.00 -0.88 0.23 119.26 124.80 2df4 h ALA 301 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2df4 h ALA 301 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2df4 h ALA 301 CO 0.21 0.00 -0.40 1.17 0.00 0.00 0.00 179.25 180.23 2df4 n LYS 302 N -2.74 0.00 0.00 0.00 4.81 -1.04 -3.10 118.16 116.09 2df4 n LYS 302 Ca -0.00 -0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.54 2df4 n LYS 302 Cb 0.17 -1.50 0.08 0.00 0.02 0.00 0.00 35.03 33.80 2df4 n LYS 302 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2df4 n TYR 303 N -1.50 0.00 0.00 5.64 4.02 0.78 -4.22 117.16 121.89 2df4 n TYR 303 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2df4 n TYR 303 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2df4 n TYR 303 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2df4 n VAL 304 N 1.03 0.00 0.02 -0.72 0.31 -0.91 -0.97 118.33 117.08 2df4 n VAL 304 Ca 0.12 0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.62 2df4 n VAL 304 Cb 0.52 -0.85 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 2df4 n VAL 304 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2df4 h ASN 305 N 0.00 -0.13 -3.41 4.52 4.21 -1.84 -2.87 115.58 116.06 2df4 h ASN 305 Ca 0.00 -0.06 -0.52 0.00 1.21 0.00 0.00 56.30 56.93 2df4 h ASN 305 Cb 0.00 0.03 0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2df4 h ASN 305 CO 0.00 0.37 0.61 -0.70 -1.29 0.00 0.00 177.43 176.42 2df4 s GLU 306 N -2.15 4.43 -1.23 0.81 2.12 -1.26 -1.68 118.70 119.74 2df4 s GLU 306 Ca -0.04 1.97 -0.00 0.00 0.36 0.00 0.00 54.97 57.26 2df4 s GLU 306 Cb 0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2df4 s GLU 306 CO 0.12 -0.19 0.92 -0.11 -0.54 0.00 0.00 175.26 175.46 2df4 n LEU 307 N 2.66 -3.77 -3.97 2.70 0.00 -1.26 -4.04 117.00 109.31 2df4 n LEU 307 Ca 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 56.01 55.32 2df4 n LEU 307 Cb 0.44 -3.00 -0.07 0.00 0.00 0.00 0.00 43.42 40.78 2df4 n LEU 307 CO 0.57 0.39 1.30 0.61 0.00 0.00 0.00 177.39 180.26 2df4 n GLY 308 N -1.26 -0.16 3.73 -3.96 0.00 -0.67 -4.46 105.19 98.40 2df4 n GLY 308 Ca -0.29 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 2df4 n GLY 308 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2df4 s LEU 309 N 0.00 3.59 0.00 0.99 2.96 -0.14 -5.00 118.68 121.08 2df4 s LEU 309 Ca 0.43 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2df4 s LEU 309 Cb -0.27 -2.26 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2df4 s LEU 309 CO 0.18 0.13 0.00 -2.65 -1.32 0.00 0.00 176.35 172.69 2df4 n PRO 310 N 0.14 2.38 -0.05 0.98 -0.02 -1.26 -4.36 135.00 132.80 2df4 n PRO 310 Ca -0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.33 2df4 n PRO 310 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.99 2df4 n PRO 310 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2df4 n ALA 311 N -3.00 1.38 -0.32 3.55 0.00 -1.26 -4.08 120.51 116.78 2df4 n ALA 311 Ca 0.00 -0.56 0.24 0.00 0.00 0.00 0.00 53.44 53.12 2df4 n ALA 311 Cb 0.00 0.08 0.53 0.00 0.00 0.00 0.00 19.45 20.06 2df4 n ALA 311 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2df4 h TYR 312 N -0.66 0.60 0.85 0.00 5.03 -2.01 -1.20 116.97 119.59 2df4 h TYR 312 Ca 0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 2df4 h TYR 312 Cb 0.66 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 38.78 2df4 h TYR 312 CO -0.29 0.05 -0.41 -0.44 -1.32 0.00 0.00 178.16 175.76 2df4 h ASP 313 N 0.36 -0.97 -0.17 -2.11 5.19 -1.95 -3.06 116.42 113.71 2df4 h ASP 313 Ca 0.59 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 57.09 2df4 h ASP 313 Cb 1.57 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 2df4 h ASP 313 CO -0.28 -0.69 0.26 0.00 -3.12 0.00 0.00 179.24 175.41 2df4 h ALA 314 N -1.46 1.68 0.17 3.45 0.00 -1.38 -2.76 119.26 118.96 2df4 h ALA 314 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2df4 h ALA 314 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2df4 h ALA 314 CO 0.19 -0.35 -0.08 1.25 0.00 0.00 0.00 179.25 180.27 2df4 h HIS 315 N 0.00 -0.21 0.00 0.00 -0.00 -1.34 -3.20 115.15 110.41 2df4 h HIS 315 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2df4 h HIS 315 Cb 0.60 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 2df4 h HIS 315 CO 0.00 0.12 0.00 -0.24 -0.00 0.00 0.00 177.93 177.81 2df4 h VAL 316 N -0.98 0.00 0.00 5.26 3.04 -1.45 -2.78 116.25 119.34 2df4 h VAL 316 Ca -0.02 -0.55 -0.17 0.00 -1.01 0.00 0.00 66.70 64.95 2df4 h VAL 316 Cb 0.42 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.21 2df4 h VAL 316 CO 0.04 0.00 -0.97 -0.07 -1.01 0.00 0.00 177.57 175.56 2df4 h LEU 317 N 0.00 0.00 -2.02 3.16 3.38 -1.63 -3.19 115.31 115.00 2df4 h LEU 317 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2df4 h LEU 317 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2df4 h LEU 317 CO 0.00 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.58 2df4 n THR 318 N -3.16 0.59 -0.29 0.22 -2.24 -1.14 -2.64 114.28 105.62 2df4 n THR 318 Ca -0.03 -0.69 0.07 0.00 -2.27 0.00 0.00 64.05 61.13 2df4 n THR 318 Cb 0.85 0.57 0.30 0.00 -2.10 0.00 0.00 70.33 69.95 2df4 n THR 318 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2df4 h LEU 319 N 3.54 0.80 -8.33 3.22 5.85 -1.48 -3.43 115.31 115.47 2df4 h LEU 319 Ca 0.00 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2df4 h LEU 319 Cb 0.79 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.53 2df4 h LEU 319 CO 0.00 0.47 -0.69 0.42 -0.34 0.00 0.00 178.44 178.29 2df4 s THR 320 N -5.81 0.47 0.00 1.05 -4.23 -1.26 -4.75 115.64 101.11 2df4 s THR 320 Ca -0.11 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 2df4 s THR 320 Cb 0.21 -1.52 -0.18 0.00 1.34 0.00 0.00 72.50 72.35 2df4 s THR 320 CO 0.79 -0.89 1.27 0.50 -0.54 0.00 0.00 174.62 175.75 2df4 h LYS 321 N 3.17 0.18 -0.01 3.99 3.64 -1.87 -2.60 116.57 123.07 2df4 h LYS 321 Ca -0.35 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 2df4 h LYS 321 Cb 1.16 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 2df4 h LYS 321 CO 0.63 0.66 -0.24 1.05 -2.27 0.00 0.00 179.45 179.28 2df4 h GLU 322 N -0.29 -0.35 -0.28 1.90 9.09 -1.95 0.42 114.58 123.11 2df4 h GLU 322 Ca 0.01 0.02 0.06 0.00 0.05 0.00 0.00 59.36 59.50 2df4 h GLU 322 Cb 0.64 0.08 -0.08 0.00 -1.65 0.00 0.00 28.75 27.74 2df4 h GLU 322 CO 0.02 -0.24 -0.37 1.98 0.05 0.00 0.00 179.01 180.46 2df4 h MET 323 N -0.37 -0.34 -0.74 1.06 -1.53 -1.86 0.43 114.93 111.57 2df4 h MET 323 Ca 0.06 0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2df4 h MET 323 Cb 0.45 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 2df4 h MET 323 CO -0.22 -0.23 0.48 1.03 0.14 0.00 0.00 176.91 178.12 2df4 h SER 324 N -0.35 0.82 -0.44 1.39 0.87 -1.01 -0.88 113.55 113.94 2df4 h SER 324 Ca 0.13 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2df4 h SER 324 Cb 0.57 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2df4 h SER 324 CO -0.48 0.58 0.05 0.44 -0.53 0.00 0.00 176.83 176.89 2df4 h ASP 325 N 0.97 0.73 -0.21 6.23 3.32 0.64 -2.00 116.42 126.08 2df4 h ASP 325 Ca 0.28 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2df4 h ASP 325 Cb -0.05 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2df4 h ASP 325 CO -0.08 0.82 -0.08 0.15 -1.72 0.00 0.00 179.24 178.32 2df4 h PHE 326 N 0.61 -0.19 -0.46 4.55 3.57 0.24 0.24 116.94 125.49 2df4 h PHE 326 Ca 0.13 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2df4 h PHE 326 Cb 0.42 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2df4 h PHE 326 CO 0.03 -0.13 0.16 0.35 -2.23 0.00 0.00 178.31 176.49 2df4 h PHE 327 N -0.05 0.29 0.00 0.41 3.57 -0.99 -0.63 116.94 119.54 2df4 h PHE 327 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2df4 h PHE 327 Cb 0.22 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2df4 h PHE 327 CO -0.25 0.10 -0.21 0.93 -2.23 0.00 0.00 178.31 176.65 2df4 h GLU 328 N 0.34 0.00 0.01 1.11 5.08 -0.90 -1.56 114.58 118.66 2df4 h GLU 328 Ca 0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 2df4 h GLU 328 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2df4 h GLU 328 CO -0.23 0.21 -0.93 0.77 -1.00 0.00 0.00 179.01 177.83 2df4 h SER 329 N 0.00 0.10 0.56 1.42 0.02 0.10 -3.16 113.55 112.60 2df4 h SER 329 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2df4 h SER 329 Cb 0.95 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2df4 h SER 329 CO 0.03 0.97 -0.57 0.41 -1.14 0.00 0.00 176.83 176.53 2df4 n THR 330 N -3.52 0.08 0.06 -2.27 -1.04 -0.30 -3.56 114.28 103.74 2df4 n THR 330 Ca -0.02 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 2df4 n THR 330 Cb 0.86 0.18 -0.13 0.00 -1.82 0.00 0.00 70.33 69.42 2df4 n THR 330 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2df4 h ILE 331 N 0.00 1.37 -0.27 12.58 2.10 -1.25 -2.94 117.51 129.10 2df4 h ILE 331 Ca 0.00 -2.41 -0.13 0.00 1.08 0.00 0.00 64.86 63.40 2df4 h ILE 331 Cb 0.57 2.83 -0.00 0.00 -1.09 0.00 0.00 36.82 39.12 2df4 h ILE 331 CO 0.00 0.71 -0.33 -0.08 -1.08 0.00 0.00 178.15 177.37 2df4 h GLU 332 N 0.01 0.70 -0.99 2.19 4.57 -1.69 -3.17 114.58 116.20 2df4 h GLU 332 Ca -0.16 -0.39 0.32 0.00 -1.18 0.00 0.00 59.36 57.95 2df4 h GLU 332 Cb 1.73 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 30.19 2df4 h GLU 332 CO 0.19 1.01 0.53 0.45 -1.18 0.00 0.00 179.01 180.02 2df4 h HIS 333 N 0.43 0.87 0.00 0.92 3.86 -1.65 -3.43 115.15 116.14 2df4 h HIS 333 Ca 0.03 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2df4 h HIS 333 Cb 0.91 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2df4 h HIS 333 CO 0.08 -0.20 0.00 0.41 0.86 0.00 0.00 177.93 179.08 2df4 n GLY 334 N -1.30 -0.24 3.71 2.45 0.00 -1.20 -5.08 105.19 103.53 2df4 n GLY 334 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2df4 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df4 s ALA 335 N 0.00 3.32 0.24 4.61 0.00 -1.11 -4.81 121.76 124.01 2df4 s ALA 335 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 2df4 s ALA 335 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 2df4 s ALA 335 CO 0.00 -0.42 1.65 0.34 0.00 0.00 0.00 175.76 177.33 2df4 s ASP 336 N 1.11 6.40 0.00 0.00 2.15 -1.26 -4.60 116.67 120.46 2df4 s ASP 336 Ca 0.55 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.41 2df4 s ASP 336 Cb -0.25 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 2df4 s ASP 336 CO 0.27 -0.93 0.17 0.52 -0.17 0.00 0.00 175.17 175.02 2df4 n VAL 337 N 3.21 0.00 -0.27 1.11 0.31 -1.26 -1.02 118.33 120.41 2df4 n VAL 337 Ca 0.12 0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2df4 n VAL 337 Cb 0.36 -0.58 0.06 0.00 -0.91 0.00 0.00 33.84 32.78 2df4 n VAL 337 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2df4 h LYS 338 N 0.00 -0.05 -0.09 5.55 1.79 -1.98 -2.48 116.57 119.31 2df4 h LYS 338 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2df4 h LYS 338 Cb 0.00 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2df4 h LYS 338 CO 0.00 -0.03 -0.05 1.28 -1.08 0.00 0.00 179.45 179.57 2df4 n LEU 339 N -5.49 -0.09 -0.19 2.94 7.99 -0.19 -0.23 117.00 121.74 2df4 n LEU 339 Ca 0.09 0.98 -0.03 0.00 -0.01 0.00 0.00 56.01 57.03 2df4 n LEU 339 Cb 0.39 -0.43 0.07 0.00 -0.11 0.00 0.00 43.42 43.34 2df4 n LEU 339 CO -0.04 -0.54 1.04 0.71 -1.51 0.00 0.00 177.39 177.06 2df4 h THR 340 N 0.00 0.96 -0.50 -5.08 1.35 -1.27 0.83 112.91 109.20 2df4 h THR 340 Ca 0.01 -0.19 0.10 0.00 -0.55 0.00 0.00 66.41 65.78 2df4 h THR 340 Cb 0.04 0.35 -0.10 0.00 -1.73 0.00 0.00 68.15 66.71 2df4 h THR 340 CO -0.08 0.10 -0.22 -1.28 -0.25 0.00 0.00 175.52 173.79 2df4 h SER 341 N 0.56 -0.76 0.10 5.36 0.87 -0.63 1.64 113.55 120.68 2df4 h SER 341 Ca 0.25 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.89 2df4 h SER 341 Cb 0.15 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2df4 h SER 341 CO -0.17 -0.24 -0.31 0.78 -0.53 0.00 0.00 176.83 176.36 2df4 h ASN 342 N -0.11 0.32 0.63 6.23 2.35 -0.14 0.12 115.58 124.98 2df4 h ASN 342 Ca 0.23 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 2df4 h ASN 342 Cb 0.47 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2df4 h ASN 342 CO -0.56 0.63 -0.55 -0.50 -1.65 0.00 0.00 177.43 174.79 2df4 h TRP 343 N 0.28 0.00 0.00 1.19 -0.00 0.22 -3.10 115.95 114.54 2df4 h TRP 343 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.90 2df4 h TRP 343 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.84 2df4 h TRP 343 CO 0.02 0.55 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.51 2df4 h LEU 344 N 0.00 0.00 -0.51 -4.49 -0.00 0.25 -2.18 115.31 108.37 2df4 h LEU 344 Ca -0.01 -0.15 0.05 0.00 -0.00 0.00 0.00 57.88 57.77 2df4 h LEU 344 Cb 1.01 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.61 2df4 h LEU 344 CO 0.07 0.80 -0.30 0.80 -0.00 0.00 0.00 178.44 179.81 2df4 n MET 345 N -4.64 -0.23 -4.14 1.13 1.56 0.39 -2.41 117.12 108.79 2df4 n MET 345 Ca -0.09 0.80 -0.25 0.00 -0.27 0.00 0.00 57.70 57.89 2df4 n MET 345 Cb 0.26 -1.18 -0.06 0.00 2.15 0.00 0.00 33.22 34.40 2df4 n MET 345 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2df4 n GLY 346 N -1.13 3.55 5.04 -5.12 0.00 -1.17 -4.40 105.19 101.96 2df4 n GLY 346 Ca 0.01 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2df4 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df4 n GLY 347 N -0.15 2.24 0.09 -0.02 0.00 -1.26 -4.00 105.19 102.09 2df4 n GLY 347 Ca -0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2df4 n GLY 347 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2df4 h VAL 348 N 0.00 1.67 -0.45 1.61 -1.51 -1.52 -1.83 116.25 114.21 2df4 h VAL 348 Ca 0.00 -2.43 0.03 0.00 -1.23 0.00 0.00 66.70 63.07 2df4 h VAL 348 Cb 0.00 3.30 -0.03 0.00 -2.13 0.00 0.00 31.29 32.42 2df4 h VAL 348 CO 0.00 0.66 0.25 0.78 -1.23 0.00 0.00 177.57 178.02 2df4 h ASN 349 N -0.71 0.38 0.73 4.19 2.35 -1.61 0.22 115.58 121.13 2df4 h ASN 349 Ca -0.06 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2df4 h ASN 349 Cb 1.29 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 2df4 h ASN 349 CO 0.07 0.27 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.62 2df4 h GLU 350 N 0.49 0.00 0.02 0.81 5.08 -1.82 -1.35 114.58 117.82 2df4 h GLU 350 Ca 0.19 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2df4 h GLU 350 Cb 0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.33 2df4 h GLU 350 CO -0.11 0.16 -0.75 -0.92 -1.00 0.00 0.00 179.01 176.39 2df4 h TYR 351 N 0.00 0.71 -0.18 4.33 5.03 -0.22 -2.08 116.97 124.55 2df4 h TYR 351 Ca -0.00 -0.40 -0.01 0.00 2.58 0.00 0.00 58.73 60.90 2df4 h TYR 351 Cb 0.57 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2df4 h TYR 351 CO 0.00 1.23 0.09 -0.07 -1.32 0.00 0.00 178.16 178.10 2df4 h LEU 352 N -0.02 0.24 -0.67 2.82 4.07 -0.33 -0.06 115.31 121.36 2df4 h LEU 352 Ca -0.10 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 2df4 h LEU 352 Cb 1.46 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.11 2df4 h LEU 352 CO 0.15 0.28 0.31 -1.13 -1.08 0.00 0.00 178.44 176.97 2df4 h ASN 353 N 0.18 0.88 1.37 -0.43 -0.73 -1.34 1.55 115.58 117.06 2df4 h ASN 353 Ca 0.06 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.10 2df4 h ASN 353 Cb 0.11 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.47 2df4 h ASN 353 CO -0.01 0.77 0.00 0.11 -0.37 0.00 0.00 177.43 177.93 2df4 h LYS 354 N 0.93 0.00 -0.00 6.67 6.56 -1.19 -3.21 116.57 126.32 2df4 h LYS 354 Ca 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2df4 h LYS 354 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2df4 h LYS 354 CO -0.03 0.00 -0.01 -1.71 -2.06 0.00 0.00 179.45 175.64 2df4 n ASN 355 N -2.97 1.06 -0.87 0.86 5.15 -0.05 -4.98 115.26 113.46 2df4 n ASN 355 Ca 0.02 -1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 52.87 2df4 n ASN 355 Cb 0.39 0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.70 2df4 n ASN 355 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2df4 n GLN 356 N -0.01 -1.67 -1.11 1.20 1.13 0.52 -4.82 117.38 112.62 2df4 n GLN 356 Ca 0.01 0.82 -0.33 0.00 -1.94 0.00 0.00 57.00 55.56 2df4 n GLN 356 Cb 0.05 -5.15 -0.02 0.00 0.11 0.00 0.00 30.24 25.23 2df4 n GLN 356 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2df4 n VAL 357 N -2.05 3.15 0.30 5.09 0.24 -0.90 -4.60 118.33 119.56 2df4 n VAL 357 Ca -0.11 -2.05 0.16 0.00 -2.04 0.00 0.00 64.34 60.30 2df4 n VAL 357 Cb 0.54 -2.38 0.72 0.00 -1.47 0.00 0.00 33.84 31.25 2df4 n VAL 357 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2df4 h GLU 358 N 6.01 0.00 -2.88 7.34 4.11 -1.88 -3.31 114.58 123.97 2df4 h GLU 358 Ca 0.63 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 59.64 2df4 h GLU 358 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2df4 h GLU 358 CO 1.68 0.00 2.18 1.28 0.07 0.00 0.00 179.01 184.23 2df4 n LEU 359 N -2.67 6.17 0.00 3.06 4.77 -1.26 -4.67 117.00 122.40 2df4 n LEU 359 Ca -0.00 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.60 2df4 n LEU 359 Cb 0.18 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2df4 n LEU 359 CO 0.20 1.38 0.27 -0.11 -1.33 0.00 0.00 177.39 177.80 2df4 n LEU 360 N 3.45 0.00 -0.13 2.23 7.94 -1.25 -2.26 117.00 126.98 2df4 n LEU 360 Ca 0.54 0.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.24 2df4 n LEU 360 Cb 0.36 -0.08 -0.10 0.00 0.53 0.00 0.00 43.42 44.13 2df4 n LEU 360 CO 0.58 -0.08 -1.31 0.47 -1.11 0.00 0.00 177.39 175.94 2df4 n ASP 361 N -0.90 1.94 -0.10 1.96 8.00 -1.26 -4.46 116.55 121.74 2df4 n ASP 361 Ca 0.00 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2df4 n ASP 361 Cb 0.13 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2df4 n ASP 361 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2df4 n THR 362 N -4.27 0.00 -0.40 -3.53 5.66 -0.96 -4.72 114.28 106.06 2df4 n THR 362 Ca -0.51 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 2df4 n THR 362 Cb 0.86 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 2df4 n THR 362 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2df4 n LYS 363 N -0.38 3.23 -1.44 1.09 4.76 -1.25 -5.07 118.16 119.10 2df4 n LYS 363 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 2df4 n LYS 363 Cb 0.04 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.27 2df4 n LYS 363 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2df4 n LEU 364 N 0.00 0.82 -4.48 -0.35 -0.00 -0.67 -4.99 117.00 107.33 2df4 n LEU 364 Ca 0.00 0.71 -0.23 0.00 -0.00 0.00 0.00 56.01 56.50 2df4 n LEU 364 Cb 0.00 -1.18 -0.11 0.00 -0.00 0.00 0.00 43.42 42.13 2df4 n LEU 364 CO 0.00 -3.05 -0.29 0.42 -0.00 0.00 0.00 177.39 174.47 2df4 s THR 365 N -1.74 1.41 0.27 1.47 -4.23 -1.26 -4.78 115.64 106.77 2df4 s THR 365 Ca 0.68 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2df4 s THR 365 Cb -0.43 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 70.89 2df4 s THR 365 CO 0.55 -0.04 1.84 -0.65 -0.54 0.00 0.00 174.62 175.78 2df4 h PRO 366 N 2.07 0.98 -0.57 3.99 0.11 -1.94 0.58 132.00 137.23 2df4 h PRO 366 Ca -0.41 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2df4 h PRO 366 Cb 1.24 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2df4 h PRO 366 CO 0.71 0.65 0.26 0.93 -0.21 0.00 0.00 178.00 180.34 2df4 h GLU 367 N 1.01 0.82 0.44 1.05 3.07 -1.96 0.24 114.58 119.25 2df4 h GLU 367 Ca 0.45 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2df4 h GLU 367 Cb 0.35 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2df4 h GLU 367 CO -0.23 0.68 -0.21 -0.91 -1.40 0.00 0.00 179.01 176.94 2df4 h ASN 368 N 0.77 -0.50 -0.37 1.42 -0.26 -1.34 -3.28 115.58 112.01 2df4 h ASN 368 Ca 0.19 -0.05 0.06 0.00 -0.56 0.00 0.00 56.30 55.94 2df4 h ASN 368 Cb 0.14 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 2df4 h ASN 368 CO -0.02 -0.07 0.25 0.25 -1.06 0.00 0.00 177.43 176.78 2df4 h LEU 369 N -1.09 0.22 -0.76 1.61 7.12 0.07 -2.42 115.31 120.06 2df4 h LEU 369 Ca -0.06 0.00 0.15 0.00 0.13 0.00 0.00 57.88 58.10 2df4 h LEU 369 Cb 0.52 -0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.50 2df4 h LEU 369 CO 0.10 0.14 0.26 0.00 -0.13 0.00 0.00 178.44 178.82 2df4 h ALA 370 N 1.80 1.05 0.99 1.25 0.00 -1.00 -2.91 119.26 120.44 2df4 h ALA 370 Ca 0.16 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2df4 h ALA 370 Cb 0.34 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2df4 h ALA 370 CO -0.03 -0.27 -0.47 0.78 0.00 0.00 0.00 179.25 179.26 2df4 h GLY 371 N 0.38 -1.38 -1.17 0.00 0.00 -1.55 -2.96 103.07 96.39 2df4 h GLY 371 Ca 0.43 0.51 0.44 0.00 0.00 0.00 0.00 47.33 48.71 2df4 h GLY 371 CO -0.45 -0.50 0.79 1.98 0.00 0.00 0.00 176.54 178.36 2df4 h MET 372 N -1.36 0.05 -0.20 4.80 -1.53 -1.62 0.48 114.93 115.56 2df4 h MET 372 Ca -0.14 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.10 2df4 h MET 372 Cb 1.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.05 2df4 h MET 372 CO 0.22 0.03 0.05 0.82 0.14 0.00 0.00 176.91 178.17 2df4 h ILE 373 N 0.05 1.20 -0.36 1.77 1.08 -1.43 -2.68 117.51 117.14 2df4 h ILE 373 Ca 0.85 -0.65 -0.17 0.00 -0.39 0.00 0.00 64.86 64.50 2df4 h ILE 373 Cb 2.57 1.26 -0.00 0.00 -3.07 0.00 0.00 36.82 37.58 2df4 h ILE 373 CO -0.52 0.20 -0.43 0.07 -0.69 0.00 0.00 178.15 176.78 2df4 h LYS 374 N 0.13 0.93 -0.94 2.37 2.10 -0.09 0.50 116.57 121.58 2df4 h LYS 374 Ca 0.06 -0.51 0.18 0.00 -2.00 0.00 0.00 60.65 58.37 2df4 h LYS 374 Cb 0.26 0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 31.54 2df4 h LYS 374 CO 0.00 1.17 0.60 1.25 -2.00 0.00 0.00 179.45 180.47 2df4 h LEU 375 N 0.74 0.62 0.08 7.07 5.85 -0.87 -2.04 115.31 126.77 2df4 h LEU 375 Ca 0.05 0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.54 2df4 h LEU 375 Cb 1.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2df4 h LEU 375 CO 0.10 0.27 -1.52 0.40 -0.34 0.00 0.00 178.44 177.35 2df4 h ILE 376 N 0.63 0.88 -0.91 4.05 2.04 -1.32 0.53 117.51 123.40 2df4 h ILE 376 Ca 0.50 -2.30 0.19 0.00 1.00 0.00 0.00 64.86 64.24 2df4 h ILE 376 Cb 0.92 2.49 -0.17 0.00 -0.74 0.00 0.00 36.82 39.32 2df4 h ILE 376 CO -0.25 0.63 -0.21 -0.08 0.00 0.00 0.00 178.15 178.24 2df4 h GLU 377 N -0.44 0.00 0.00 2.37 4.57 0.70 -3.38 114.58 118.40 2df4 h GLU 377 Ca -0.35 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2df4 h GLU 377 Cb 1.67 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2df4 h GLU 377 CO -0.03 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 177.40 2df4 n ASP 378 N -5.57 0.00 0.00 1.04 5.75 -0.91 -5.06 116.55 111.80 2df4 n ASP 378 Ca 0.14 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 2df4 n ASP 378 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2df4 n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2df4 n GLY 379 N 0.00 1.65 0.00 6.12 0.00 -0.96 -4.98 105.19 107.02 2df4 n GLY 379 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2df4 n GLY 379 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2df4 n THR 380 N 0.00 0.00 0.00 2.61 -2.24 0.18 -4.96 114.28 109.88 2df4 n THR 380 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2df4 n THR 380 Cb 0.00 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2df4 n THR 380 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2df4 n MET 381 N -1.62 0.00 -4.58 -0.78 0.00 -1.26 -4.72 117.12 104.16 2df4 n MET 381 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 2df4 n MET 381 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 2df4 n MET 381 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2df4 s SER 382 N -1.56 3.18 0.00 7.83 0.15 -1.26 -4.65 113.70 117.39 2df4 s SER 382 Ca 0.00 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.05 2df4 s SER 382 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2df4 s SER 382 CO 0.00 -0.82 0.00 -1.20 1.20 0.00 0.00 173.24 172.42 2df4 n SER 383 N -1.17 0.00 -0.18 5.45 7.64 -1.26 -3.45 113.62 120.65 2df4 n SER 383 Ca -0.09 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.94 2df4 n SER 383 Cb 0.66 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.12 2df4 n SER 383 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2df4 n LYS 384 N -0.07 -0.02 0.23 1.43 4.81 -1.26 0.28 118.16 123.57 2df4 n LYS 384 Ca 0.00 0.51 0.07 0.00 -0.87 0.00 0.00 58.31 58.03 2df4 n LYS 384 Cb 0.00 -0.99 0.55 0.00 0.02 0.00 0.00 35.03 34.61 2df4 n LYS 384 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2df4 h ILE 385 N 0.00 0.97 0.00 3.15 2.10 -2.00 -1.20 117.51 120.52 2df4 h ILE 385 Ca 0.35 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.60 2df4 h ILE 385 Cb 1.09 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2df4 h ILE 385 CO -0.21 0.19 0.00 0.00 -1.08 0.00 0.00 178.15 177.04 2df4 n ALA 386 N -2.43 1.46 0.03 0.18 0.00 0.80 -3.16 120.51 117.39 2df4 n ALA 386 Ca -0.02 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2df4 n ALA 386 Cb 0.27 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 2df4 n ALA 386 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2df4 h LYS 387 N 0.00 -0.58 0.00 0.00 3.64 -1.32 -2.93 116.57 115.37 2df4 h LYS 387 Ca 0.00 0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.07 2df4 h LYS 387 Cb 0.24 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 2df4 h LYS 387 CO 0.00 -0.39 -2.31 1.17 -2.27 0.00 0.00 179.45 175.65 2df4 n LYS 388 N -5.45 0.68 -0.03 1.90 0.00 -1.24 -4.23 118.16 109.79 2df4 n LYS 388 Ca -0.06 0.01 0.22 0.00 0.00 0.00 0.00 58.31 58.48 2df4 n LYS 388 Cb 0.38 -1.55 0.70 0.00 0.00 0.00 0.00 35.03 34.57 2df4 n LYS 388 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2df4 h VAL 389 N 0.00 0.69 0.51 3.15 -1.51 -1.63 -2.59 116.25 114.88 2df4 h VAL 389 Ca -0.51 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.94 2df4 h VAL 389 Cb 2.19 0.69 0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2df4 h VAL 389 CO 0.03 0.00 -0.25 0.15 -1.23 0.00 0.00 177.57 176.28 2df4 h PHE 390 N 0.00 -0.64 -0.58 5.19 3.57 -1.69 -1.84 116.94 120.95 2df4 h PHE 390 Ca 0.29 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.89 2df4 h PHE 390 Cb 1.16 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 40.02 2df4 h PHE 390 CO 0.00 -0.40 0.06 -1.35 -2.23 0.00 0.00 178.31 174.39 2df4 h PRO 391 N -1.08 0.18 0.62 6.41 0.11 -1.66 0.33 132.00 136.91 2df4 h PRO 391 Ca -0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2df4 h PRO 391 Cb 0.53 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2df4 h PRO 391 CO 0.12 0.12 -0.36 0.93 -0.21 0.00 0.00 178.00 178.60 2df4 h GLU 392 N 0.18 -0.88 -0.82 1.05 4.39 -1.59 -0.65 114.58 116.27 2df4 h GLU 392 Ca 0.30 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.27 2df4 h GLU 392 Cb 0.47 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2df4 h GLU 392 CO -0.44 -0.59 0.56 1.25 -1.16 0.00 0.00 179.01 178.63 2df4 h LEU 393 N -0.91 0.21 0.04 1.33 7.12 -0.65 -1.73 115.31 120.72 2df4 h LEU 393 Ca -0.08 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 2df4 h LEU 393 Cb 0.73 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 2df4 h LEU 393 CO 0.09 0.09 -0.02 0.00 -0.13 0.00 0.00 178.44 178.47 2df4 h ALA 394 N 1.62 -0.05 0.00 1.25 0.00 0.12 -3.36 119.26 118.84 2df4 h ALA 394 Ca 0.41 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2df4 h ALA 394 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2df4 h ALA 394 CO -0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 179.25 178.78 2df4 h ALA 395 N -0.17 1.17 -3.00 0.00 0.00 -0.92 -1.79 119.26 114.55 2df4 h ALA 395 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2df4 h ALA 395 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2df4 h ALA 395 CO 0.01 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.24 2df4 n LYS 396 N -3.67 0.00 -0.43 0.00 4.76 -0.67 -4.95 118.16 113.21 2df4 n LYS 396 Ca -0.01 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.49 2df4 n LYS 396 Cb 0.40 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.57 2df4 n LYS 396 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2df4 n GLY 397 N 0.00 -0.91 0.00 0.72 0.00 -1.26 -4.26 105.19 99.47 2df4 n GLY 397 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2df4 n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df4 n GLY 398 N -1.32 0.00 2.05 -0.02 0.00 -1.26 -4.85 105.19 99.78 2df4 n GLY 398 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2df4 n GLY 398 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2df4 n ASN 399 N -0.19 -0.89 0.00 1.61 5.15 -1.26 -4.25 115.26 115.44 2df4 n ASN 399 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 2df4 n ASN 399 Cb 0.00 1.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 2df4 n ASN 399 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66