#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qid h GLU 5 N 0.00 0.00 -0.06 -1.46 4.81 -2.03 -1.36 114.58 114.48 1qid h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qid h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qid h GLU 5 CO 0.00 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.59 1qid n LEU 6 N -3.89 2.07 -4.48 1.64 4.77 -1.26 -4.84 117.00 111.02 1qid n LEU 6 Ca -0.03 -0.73 -0.34 0.00 -0.03 0.00 0.00 56.01 54.88 1qid n LEU 6 Cb 0.11 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1qid n LEU 6 CO 0.29 0.36 -0.33 -0.22 -1.33 0.00 0.00 177.39 176.16 1qid s LEU 7 N -1.92 3.28 -0.04 2.23 2.96 -0.52 -0.24 118.68 124.44 1qid s LEU 7 Ca 0.34 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1qid s LEU 7 Cb 0.20 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1qid s LEU 7 CO 0.31 0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.72 1qid s VAL 8 N 0.74 0.53 -0.43 1.68 1.01 -0.64 -4.72 120.40 118.57 1qid s VAL 8 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1qid s VAL 8 Cb -0.14 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1qid s VAL 8 CO 0.02 0.21 0.39 0.21 0.00 0.00 0.00 175.10 175.93 1qid s ASN 9 N 0.76 6.15 0.55 3.32 2.47 -1.26 -0.65 114.94 126.28 1qid s ASN 9 Ca -0.10 -0.87 0.09 0.00 0.42 0.00 0.00 52.86 52.40 1qid s ASN 9 Cb -0.13 -2.20 0.07 0.00 -1.45 0.00 0.00 41.25 37.55 1qid s ASN 9 CO 0.00 -0.55 0.76 0.42 -3.72 0.00 0.00 177.10 174.01 1qid s THR 10 N 1.91 2.30 -0.22 -5.21 -4.23 -0.07 -4.94 115.64 105.18 1qid s THR 10 Ca 0.08 -0.99 0.28 0.00 -1.18 0.00 0.00 61.69 59.89 1qid s THR 10 Cb -0.19 -2.31 0.32 0.00 1.34 0.00 0.00 72.50 71.66 1qid s THR 10 CO 0.11 0.00 1.84 0.11 -0.54 0.00 0.00 174.62 176.14 1qid h LYS 11 N 0.24 0.00 0.00 3.99 1.57 -1.93 -2.51 116.57 117.93 1qid h LYS 11 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1qid h LYS 11 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1qid h LYS 11 CO 0.41 0.00 -0.96 0.43 -0.57 0.00 0.00 179.45 178.77 1qid n SER 12 N -2.66 0.70 0.00 0.86 7.64 -1.26 -4.91 113.62 113.98 1qid n SER 12 Ca 0.02 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1qid n SER 12 Cb 0.28 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1qid n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qid n GLY 13 N 1.44 1.02 3.84 0.23 0.00 -0.95 -1.13 105.19 109.64 1qid n GLY 13 Ca 0.03 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1qid n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qid s LYS 14 N -1.14 4.09 0.00 1.61 1.02 -1.25 -0.89 119.74 123.18 1qid s LYS 14 Ca 0.00 0.82 0.02 0.00 0.02 0.00 0.00 55.97 56.83 1qid s LYS 14 Cb 0.00 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1qid s LYS 14 CO 0.00 0.13 -0.08 0.08 -0.92 0.00 0.00 175.35 174.56 1qid s VAL 15 N -1.99 0.63 -0.24 3.17 1.01 0.18 -0.79 120.40 122.35 1qid s VAL 15 Ca 0.55 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1qid s VAL 15 Cb -0.11 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1qid s VAL 15 CO 0.17 0.11 -0.08 -0.32 0.00 0.00 0.00 175.10 174.98 1qid s MET 16 N -0.35 2.83 0.00 2.72 1.75 0.13 -1.63 119.30 124.76 1qid s MET 16 Ca 0.02 -0.97 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 1qid s MET 16 Cb -0.04 -2.94 0.00 0.00 2.84 0.00 0.00 34.83 34.69 1qid s MET 16 CO -0.00 -0.38 0.00 0.41 -0.65 0.00 0.00 175.02 174.39 1qid n GLY 17 N 4.65 0.76 3.03 2.11 0.00 0.67 0.18 105.19 116.59 1qid n GLY 17 Ca -0.17 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1qid n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qid s THR 18 N 0.75 0.11 -0.02 2.61 -1.32 0.02 -4.73 115.64 113.05 1qid s THR 18 Ca 0.00 -0.87 -0.22 0.00 -1.21 0.00 0.00 61.69 59.39 1qid s THR 18 Cb 0.00 -0.37 -0.05 0.00 -1.51 0.00 0.00 72.50 70.57 1qid s THR 18 CO 0.00 -0.48 0.67 -0.60 -2.21 0.00 0.00 174.62 172.00 1qid s ARG 19 N -1.54 4.40 -0.02 7.08 3.52 -1.26 -0.92 118.95 130.20 1qid s ARG 19 Ca -0.15 0.85 0.05 0.00 -0.13 0.00 0.00 55.73 56.35 1qid s ARG 19 Cb -0.08 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1qid s ARG 19 CO -0.01 0.23 -0.17 0.14 -0.81 0.00 0.00 175.30 174.68 1qid s VAL 20 N 0.24 1.37 0.42 7.11 -7.23 -0.46 -4.97 120.40 116.88 1qid s VAL 20 Ca 0.35 -0.72 -0.23 0.00 -1.81 0.00 0.00 61.98 59.57 1qid s VAL 20 Cb -0.18 -1.15 -0.09 0.00 0.56 0.00 0.00 36.38 35.51 1qid s VAL 20 CO 0.18 0.39 1.04 -2.16 -0.31 0.00 0.00 175.10 174.24 1qid s PRO 21 N -0.24 4.10 -0.26 4.82 0.04 -1.26 -2.11 135.00 140.08 1qid s PRO 21 Ca 0.03 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 1qid s PRO 21 Cb -0.08 -2.43 0.12 0.00 0.04 0.00 0.00 34.50 32.15 1qid s PRO 21 CO 0.00 -0.19 0.56 0.54 0.04 0.00 0.00 177.00 177.95 1qid s VAL 22 N -1.76 -0.87 -1.53 -0.36 0.11 0.09 -4.93 120.40 111.15 1qid s VAL 22 Ca 0.60 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1qid s VAL 22 Cb -0.20 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1qid s VAL 22 CO 0.25 0.02 0.27 0.18 -3.33 0.00 0.00 175.10 172.48 1qid n LEU 23 N 5.42 -1.50 -0.08 2.54 4.77 -1.26 -0.31 117.00 126.59 1qid n LEU 23 Ca -0.09 -1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 54.72 1qid n LEU 23 Cb 0.49 -1.87 -0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1qid n LEU 23 CO -0.02 0.41 -0.01 -1.54 -1.33 0.00 0.00 177.39 174.91 1qid n SER 24 N -2.88 -3.92 -0.39 -1.43 3.41 -1.26 -4.98 113.62 102.18 1qid n SER 24 Ca -0.26 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1qid n SER 24 Cb 0.66 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1qid n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qid n SER 25 N -0.12 0.84 -3.83 4.04 2.88 0.58 -5.17 113.62 112.84 1qid n SER 25 Ca -0.01 -0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.16 1qid n SER 25 Cb 0.17 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1qid n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qid s HIS 26 N -0.55 0.06 0.26 0.66 3.76 -1.26 -0.73 115.29 117.49 1qid s HIS 26 Ca 0.00 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 1qid s HIS 26 Cb 0.00 -0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1qid s HIS 26 CO 0.00 -0.49 0.39 0.96 -0.85 0.00 0.00 174.74 174.75 1qid s ILE 27 N -3.10 0.00 0.08 0.60 -4.36 -0.90 -4.45 121.20 109.08 1qid s ILE 27 Ca -0.01 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1qid s ILE 27 Cb 0.01 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 1qid s ILE 27 CO -0.07 0.00 0.32 -0.44 0.24 0.00 0.00 174.94 174.99 1qid s SER 28 N -3.11 6.50 -0.04 4.36 0.01 -0.01 -1.36 113.70 120.05 1qid s SER 28 Ca 0.28 0.57 0.02 0.00 1.31 0.00 0.00 55.95 58.13 1qid s SER 28 Cb 0.01 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1qid s SER 28 CO 0.13 0.15 -0.07 0.00 0.41 0.00 0.00 173.24 173.86 1qid s ALA 29 N -1.49 0.77 -0.39 1.44 0.00 -0.10 -0.86 121.76 121.14 1qid s ALA 29 Ca 0.35 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1qid s ALA 29 Cb -0.13 -0.38 0.11 0.00 0.00 0.00 0.00 23.12 22.72 1qid s ALA 29 CO 0.21 0.06 0.12 -0.06 0.00 0.00 0.00 175.76 176.09 1qid s PHE 30 N 0.61 3.33 0.01 0.00 0.40 0.92 -0.80 117.98 122.44 1qid s PHE 30 Ca -0.09 -2.91 -0.02 0.00 -0.60 0.00 0.00 56.93 53.32 1qid s PHE 30 Cb -0.12 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 1qid s PHE 30 CO 0.01 -0.88 0.18 -0.51 0.70 0.00 0.00 175.22 174.72 1qid s LEU 31 N 0.62 4.32 -1.05 -0.37 1.43 0.05 -0.31 118.68 123.37 1qid s LEU 31 Ca 0.13 0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1qid s LEU 31 Cb -0.21 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.34 1qid s LEU 31 CO -0.07 0.24 0.92 0.61 0.23 0.00 0.00 176.35 178.28 1qid n GLY 32 N 0.78 -0.21 3.68 -3.19 0.00 -1.12 -4.07 105.19 101.06 1qid n GLY 32 Ca -0.09 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1qid n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qid s ILE 33 N -3.25 4.87 0.16 -0.61 1.01 0.09 -4.79 121.20 118.67 1qid s ILE 33 Ca 0.46 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.54 1qid s ILE 33 Cb -0.20 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 1qid s ILE 33 CO 0.57 0.04 1.10 -2.16 0.00 0.00 0.00 174.94 174.49 1qid s PRO 34 N 2.01 4.58 0.00 2.79 0.04 -1.26 0.04 135.00 143.19 1qid s PRO 34 Ca 0.41 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1qid s PRO 34 Cb -0.17 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1qid s PRO 34 CO 0.14 0.04 0.32 1.97 0.04 0.00 0.00 177.00 179.52 1qid n PHE 35 N 2.58 0.00 -3.90 0.56 1.16 -1.13 -4.89 117.46 111.83 1qid n PHE 35 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.52 1qid n PHE 35 Cb 0.46 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.26 1qid n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qid s ALA 36 N -0.35 -0.11 0.40 1.98 0.00 -1.25 -3.29 121.76 119.12 1qid s ALA 36 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1qid s ALA 36 Cb 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.69 1qid s ALA 36 CO 0.00 -0.57 1.10 -1.21 0.00 0.00 0.00 175.76 175.08 1qid s GLU 37 N -3.91 4.13 -0.13 0.00 0.41 -0.08 -4.48 118.70 114.64 1qid s GLU 37 Ca 0.11 1.65 -0.33 0.00 -0.41 0.00 0.00 54.97 55.99 1qid s GLU 37 Cb 0.04 -2.61 -0.10 0.00 -1.78 0.00 0.00 34.13 29.68 1qid s GLU 37 CO -0.06 -0.21 2.01 -2.30 -0.49 0.00 0.00 175.26 174.21 1qid n PRO 38 N 0.02 2.10 -1.10 0.39 -0.02 -1.26 -4.72 135.00 130.41 1qid n PRO 38 Ca 0.05 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.91 1qid n PRO 38 Cb 0.48 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1qid n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qid n PRO 39 N 7.42 2.38 -4.38 0.52 -0.04 -1.26 -4.88 135.00 134.75 1qid n PRO 39 Ca 0.26 -1.87 -0.25 0.00 -0.04 0.00 0.00 63.50 61.60 1qid n PRO 39 Cb 0.33 -2.76 -0.09 0.00 -0.04 0.00 0.00 33.50 30.94 1qid n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qid s VAL 40 N 3.53 2.58 0.00 0.52 -7.23 -1.26 -3.84 120.40 114.70 1qid s VAL 40 Ca 0.51 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1qid s VAL 40 Cb 0.13 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1qid s VAL 40 CO -0.01 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1qid n GLY 41 N -0.90 3.25 0.00 2.32 0.00 -1.26 -1.43 105.19 107.17 1qid n GLY 41 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1qid n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qid n ASN 42 N 6.03 0.00 0.00 1.61 4.13 -1.26 -1.60 115.26 124.18 1qid n ASN 42 Ca 0.00 0.44 0.12 0.00 1.68 0.00 0.00 54.58 56.83 1qid n ASN 42 Cb 0.00 -0.46 0.32 0.00 -1.54 0.00 0.00 39.78 38.10 1qid n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1qid n MET 43 N -1.46 0.01 -1.72 3.52 2.81 -0.52 -4.81 117.12 114.95 1qid n MET 43 Ca 0.02 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 1qid n MET 43 Cb 0.08 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1qid n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1qid n ARG 44 N -1.52 2.66 0.00 0.03 0.63 -0.63 -1.27 116.66 116.56 1qid n ARG 44 Ca 0.06 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1qid n ARG 44 Cb 0.34 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.49 1qid n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1qid n PHE 45 N 3.21 0.00 -1.88 -0.14 3.72 -1.26 -4.90 117.46 116.21 1qid n PHE 45 Ca 0.13 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.23 1qid n PHE 45 Cb 0.35 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1qid n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qid s ARG 46 N -0.11 3.50 0.61 -1.08 0.52 -0.40 -4.30 118.95 117.69 1qid s ARG 46 Ca 0.00 0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 55.73 1qid s ARG 46 Cb 0.00 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1qid s ARG 46 CO 0.00 -0.63 1.26 1.03 0.02 0.00 0.00 175.30 176.98 1qid s ARG 47 N -5.20 2.84 0.58 3.54 0.52 -1.26 -4.90 118.95 115.07 1qid s ARG 47 Ca 0.55 1.97 -0.16 0.00 -0.52 0.00 0.00 55.73 57.57 1qid s ARG 47 Cb -0.11 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1qid s ARG 47 CO 0.54 -1.35 1.06 -1.25 0.02 0.00 0.00 175.30 174.32 1qid s PRO 48 N -3.28 3.34 0.04 3.54 0.04 -1.26 -5.06 135.00 132.35 1qid s PRO 48 Ca 0.79 1.26 0.06 0.00 0.04 0.00 0.00 61.00 63.15 1qid s PRO 48 Cb -0.34 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1qid s PRO 48 CO 0.37 -0.80 -0.15 -1.21 0.04 0.00 0.00 177.00 175.25 1qid s GLU 49 N -3.93 2.15 0.44 4.56 0.41 -1.26 -5.03 118.70 116.04 1qid s GLU 49 Ca 0.65 -0.95 -0.24 0.00 -0.41 0.00 0.00 54.97 54.02 1qid s GLU 49 Cb -0.17 -2.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.84 1qid s GLU 49 CO 0.35 0.55 1.09 -2.30 -0.49 0.00 0.00 175.26 174.46 1qid n PRO 50 N 1.47 1.48 -2.21 0.39 -0.02 -1.26 -0.90 135.00 133.94 1qid n PRO 50 Ca -0.16 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1qid n PRO 50 Cb 0.52 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1qid n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qid s LYS 51 N -2.18 4.30 0.24 -0.52 2.47 -1.21 -4.07 119.74 118.78 1qid s LYS 51 Ca 0.64 1.99 -0.30 0.00 -1.56 0.00 0.00 55.97 56.74 1qid s LYS 51 Cb -0.52 -3.46 -0.10 0.00 -1.46 0.00 0.00 37.83 32.29 1qid s LYS 51 CO 0.56 -0.51 1.46 0.15 0.16 0.00 0.00 175.35 177.17 1qid s LYS 52 N 1.91 4.25 0.61 4.03 1.02 -1.26 -4.94 119.74 125.37 1qid s LYS 52 Ca 0.64 2.32 -0.18 0.00 0.02 0.00 0.00 55.97 58.77 1qid s LYS 52 Cb -0.33 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1qid s LYS 52 CO 0.28 -0.45 0.86 -2.30 -0.92 0.00 0.00 175.35 172.81 1qid n PRO 53 N 2.50 0.75 -4.32 -1.68 -0.02 -1.26 -5.01 135.00 125.95 1qid n PRO 53 Ca 0.08 0.30 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 1qid n PRO 53 Cb 0.40 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 1qid n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qid s TRP 54 N -1.59 1.85 0.44 6.00 -2.14 -0.28 -5.02 118.94 118.19 1qid s TRP 54 Ca 0.75 -0.45 -0.00 0.00 2.66 0.00 0.00 56.10 59.06 1qid s TRP 54 Cb -0.41 -0.95 -0.01 0.00 -3.10 0.00 0.00 33.47 29.00 1qid s TRP 54 CO 0.48 0.30 0.67 -1.12 -2.66 0.00 0.00 176.95 174.62 1qid s SER 55 N -2.41 5.92 0.09 -2.66 0.01 -1.26 -4.52 113.70 108.87 1qid s SER 55 Ca 0.13 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1qid s SER 55 Cb -0.07 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1qid s SER 55 CO 0.06 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1qid n GLY 56 N -2.06 -1.81 3.45 3.44 0.00 -1.26 -4.84 105.19 102.10 1qid n GLY 56 Ca 0.00 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1qid n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qid s VAL 57 N 0.00 3.83 -0.15 1.61 1.01 -1.26 -3.90 120.40 121.53 1qid s VAL 57 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1qid s VAL 57 Cb 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1qid s VAL 57 CO 0.00 0.45 0.91 0.86 0.00 0.00 0.00 175.10 177.32 1qid s TRP 58 N 0.80 3.44 -0.66 5.22 -0.11 0.02 -4.87 118.94 122.79 1qid s TRP 58 Ca -0.01 1.39 -0.27 0.00 1.22 0.00 0.00 56.10 58.43 1qid s TRP 58 Cb -0.14 -3.09 0.02 0.00 -1.50 0.00 0.00 33.47 28.75 1qid s TRP 58 CO 0.02 -0.25 1.42 1.21 -4.62 0.00 0.00 176.95 174.73 1qid s ASN 59 N 1.14 6.00 -0.72 5.86 3.84 -1.26 0.22 114.94 130.01 1qid s ASN 59 Ca 0.42 -0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.42 1qid s ASN 59 Cb -0.17 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.35 1qid s ASN 59 CO 0.14 -1.89 1.72 0.00 -2.79 0.00 0.00 177.10 174.27 1qid n ALA 60 N 10.02 6.02 0.79 1.71 0.00 0.13 -4.60 120.51 134.58 1qid n ALA 60 Ca 0.09 -4.22 0.08 0.00 0.00 0.00 0.00 53.44 49.40 1qid n ALA 60 Cb 0.50 -1.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1qid n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qid n SER 61 N -0.50 1.32 -4.13 0.00 3.41 -1.24 -0.77 113.62 111.71 1qid n SER 61 Ca 0.49 -1.16 -0.16 0.00 -0.26 0.00 0.00 58.87 57.77 1qid n SER 61 Cb 0.37 0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 64.90 1qid n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qid s THR 62 N -2.28 0.91 0.57 6.66 -4.23 -1.26 -4.87 115.64 111.13 1qid s THR 62 Ca 0.11 -1.25 -0.21 0.00 -1.18 0.00 0.00 61.69 59.16 1qid s THR 62 Cb 0.14 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 1qid s THR 62 CO 0.55 -0.30 1.36 -0.31 -0.54 0.00 0.00 174.62 175.38 1qid s TYR 63 N -1.39 2.22 0.94 3.99 2.02 -1.26 -3.63 117.35 120.24 1qid s TYR 63 Ca -0.04 1.38 -0.13 0.00 -0.37 0.00 0.00 57.07 57.91 1qid s TYR 63 Cb -0.10 -3.81 0.21 0.00 -0.40 0.00 0.00 41.96 37.86 1qid s TYR 63 CO 0.01 -2.99 1.28 -1.25 -1.57 0.00 0.00 175.55 171.03 1qid s PRO 64 N -2.99 0.64 0.81 -1.71 0.04 -1.26 -4.86 135.00 125.67 1qid s PRO 64 Ca 0.74 -0.67 -0.11 0.00 0.04 0.00 0.00 61.00 60.99 1qid s PRO 64 Cb -0.41 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.27 1qid s PRO 64 CO 0.47 -2.35 1.09 -0.80 0.04 0.00 0.00 177.00 175.46 1qid s ASN 65 N -4.92 4.30 0.02 6.66 0.01 -1.26 -4.84 114.94 114.92 1qid s ASN 65 Ca 0.74 1.45 -0.01 0.00 -0.71 0.00 0.00 52.86 54.33 1qid s ASN 65 Cb -0.03 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1qid s ASN 65 CO 0.52 -2.11 0.19 0.20 -1.51 0.00 0.00 177.10 174.39 1qid s ASN 66 N -3.69 6.31 0.69 -1.22 0.02 -0.51 -4.80 114.94 111.74 1qid s ASN 66 Ca 0.61 0.30 -0.16 0.00 -1.02 0.00 0.00 52.86 52.58 1qid s ASN 66 Cb -0.16 -1.95 0.02 0.00 0.02 0.00 0.00 41.25 39.18 1qid s ASN 66 CO 0.55 0.22 1.24 0.00 0.02 0.00 0.00 177.10 179.14 1qid s GLN 68 N -3.66 4.12 0.14 0.00 -1.52 -1.21 -4.60 119.66 112.94 1qid s GLN 68 Ca 0.78 2.57 -0.24 0.00 -1.95 0.00 0.00 55.36 56.52 1qid s GLN 68 Cb -0.33 -3.03 0.07 0.00 -0.22 0.00 0.00 33.01 29.50 1qid s GLN 68 CO 0.42 -0.64 0.73 1.14 -0.25 0.00 0.00 175.29 176.70 1qid s GLN 69 N -0.40 1.26 0.45 2.91 -2.07 -1.26 -4.66 119.66 115.88 1qid s GLN 69 Ca 0.64 -0.55 -0.24 0.00 -1.82 0.00 0.00 55.36 53.39 1qid s GLN 69 Cb -0.48 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 31.89 1qid s GLN 69 CO 0.47 -0.56 1.28 -0.47 -1.32 0.00 0.00 175.29 174.69 1qid s TYR 70 N -3.58 2.73 -0.14 9.60 5.04 -1.25 -5.01 117.35 124.73 1qid s TYR 70 Ca 0.05 1.43 0.02 0.00 -2.44 0.00 0.00 57.07 56.14 1qid s TYR 70 Cb -0.02 -3.62 0.01 0.00 0.35 0.00 0.00 41.96 38.68 1qid s TYR 70 CO -0.07 -2.10 -0.21 0.08 -1.34 0.00 0.00 175.55 171.92 1qid s VAL 71 N -1.34 1.97 -0.23 3.14 1.01 -1.26 -4.89 120.40 118.80 1qid s VAL 71 Ca 0.61 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1qid s VAL 71 Cb -0.36 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1qid s VAL 71 CO 0.45 0.53 1.60 -0.62 0.00 0.00 0.00 175.10 177.06 1qid s ASP 72 N 0.94 6.38 -0.10 3.32 2.15 -1.26 -4.84 116.67 123.26 1qid s ASP 72 Ca -0.04 1.56 0.14 0.00 0.43 0.00 0.00 52.55 54.63 1qid s ASP 72 Cb -0.15 -2.53 0.24 0.00 -0.30 0.00 0.00 42.92 40.18 1qid s ASP 72 CO -0.04 -1.27 1.14 -0.62 -0.17 0.00 0.00 175.17 174.21 1qid n GLU 73 N 7.68 1.93 -0.16 4.34 1.02 -1.26 -4.74 120.64 129.44 1qid n GLU 73 Ca 0.19 -2.30 0.03 0.00 -0.02 0.00 0.00 57.16 55.05 1qid n GLU 73 Cb 0.45 -1.39 0.31 0.00 -0.02 0.00 0.00 31.44 30.79 1qid n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1qid h GLN 74 N 0.23 0.83 -2.46 3.49 5.75 -2.01 -3.31 115.11 117.63 1qid h GLN 74 Ca 0.00 -0.05 -0.59 0.00 -0.15 0.00 0.00 58.65 57.86 1qid h GLN 74 Cb 0.90 -0.19 -0.40 0.00 1.07 0.00 0.00 27.48 28.86 1qid h GLN 74 CO 0.02 0.55 -0.82 1.19 -2.65 0.00 0.00 178.83 177.12 1qid n PHE 75 N -4.45 1.18 -1.67 3.99 3.72 -1.26 -5.10 117.46 113.86 1qid n PHE 75 Ca 0.08 -3.79 -0.50 0.00 -0.05 0.00 0.00 57.45 53.19 1qid n PHE 75 Cb 0.09 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 1qid n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qid n PRO 76 N 1.94 1.85 0.00 -1.08 -0.02 -1.25 -1.49 135.00 134.96 1qid n PRO 76 Ca 0.25 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1qid n PRO 76 Cb 0.44 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1qid n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qid n GLY 77 N 3.86 3.14 3.66 -1.23 0.00 -1.26 -5.02 105.19 108.34 1qid n GLY 77 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1qid n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qid s PHE 78 N -2.10 2.41 0.40 1.61 5.36 -0.55 -4.93 117.98 120.18 1qid s PHE 78 Ca 0.00 0.60 0.09 0.00 -0.96 0.00 0.00 56.93 56.66 1qid s PHE 78 Cb 0.00 -3.71 0.82 0.00 -0.34 0.00 0.00 43.02 39.79 1qid s PHE 78 CO 0.00 -2.78 1.95 0.66 -1.46 0.00 0.00 175.22 173.59 1qid h SER 79 N 8.87 0.27 -0.99 6.13 4.64 -1.96 -1.53 113.55 128.98 1qid h SER 79 Ca -0.33 -0.04 0.14 0.00 -0.47 0.00 0.00 61.79 61.09 1qid h SER 79 Cb 1.14 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 1qid h SER 79 CO 0.96 0.36 0.62 1.23 -0.87 0.00 0.00 176.83 179.13 1qid h GLY 80 N 0.65 1.64 0.13 -0.77 0.00 -1.94 -1.69 103.07 101.10 1qid h GLY 80 Ca 0.06 -0.39 -0.38 0.00 0.00 0.00 0.00 47.33 46.62 1qid h GLY 80 CO 0.01 0.08 -2.36 -1.14 0.00 0.00 0.00 176.54 173.13 1qid n SER 81 N -4.65 1.64 0.14 0.19 3.41 -1.15 -4.38 113.62 108.82 1qid n SER 81 Ca 0.20 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1qid n SER 81 Cb 0.44 -0.24 0.51 0.00 -0.26 0.00 0.00 64.21 64.65 1qid n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qid n GLU 82 N -3.20 0.20 0.05 4.33 1.02 -0.59 -2.11 120.64 120.33 1qid n GLU 82 Ca -0.41 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.28 1qid n GLU 82 Cb 1.03 -1.89 0.39 0.00 -0.02 0.00 0.00 31.44 30.95 1qid n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qid n MET 83 N -2.26 0.08 -0.01 3.49 0.00 -0.64 -2.31 117.12 115.47 1qid n MET 83 Ca 0.02 0.31 0.10 0.00 0.00 0.00 0.00 57.70 58.13 1qid n MET 83 Cb 0.21 -1.65 -0.15 0.00 0.00 0.00 0.00 33.22 31.63 1qid n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1qid n TRP 84 N -1.80 0.00 -1.61 3.17 7.02 -0.90 -4.72 117.44 118.60 1qid n TRP 84 Ca 0.03 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.19 1qid n TRP 84 Cb 0.20 -0.35 0.06 0.00 -2.42 0.00 0.00 31.31 28.80 1qid n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qid s ASN 85 N -3.98 5.07 0.27 -0.99 0.01 -0.98 -4.71 114.94 109.63 1qid s ASN 85 Ca -0.03 1.84 -0.30 0.00 -0.71 0.00 0.00 52.86 53.65 1qid s ASN 85 Cb 0.14 -2.53 -0.13 0.00 0.41 0.00 0.00 41.25 39.14 1qid s ASN 85 CO 0.85 -1.65 1.47 -2.65 -1.51 0.00 0.00 177.10 173.61 1qid n PRO 86 N -2.85 2.31 -0.27 -0.60 -0.02 -1.26 -4.88 135.00 127.44 1qid n PRO 86 Ca 0.09 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.46 1qid n PRO 86 Cb 0.53 -2.52 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 1qid n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qid n ASN 87 N 2.04 3.32 -4.32 2.55 6.94 -1.26 -4.97 115.26 119.57 1qid n ASN 87 Ca 0.10 -2.15 -0.17 0.00 -0.02 0.00 0.00 54.58 52.35 1qid n ASN 87 Cb 0.34 -0.33 -0.10 0.00 -2.36 0.00 0.00 39.78 37.33 1qid n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1qid s ARG 88 N -1.26 1.38 0.40 -3.83 1.81 -1.26 -5.10 118.95 111.08 1qid s ARG 88 Ca 0.31 -1.73 -0.27 0.00 -1.72 0.00 0.00 55.73 52.32 1qid s ARG 88 Cb 0.18 -0.37 -0.10 0.00 -0.45 0.00 0.00 34.95 34.22 1qid s ARG 88 CO 0.18 -0.23 1.45 -2.00 -0.68 0.00 0.00 175.30 174.02 1qid s GLU 89 N -3.98 3.95 0.21 3.54 2.56 -1.26 -4.55 118.70 119.17 1qid s GLU 89 Ca 0.34 2.49 -0.13 0.00 0.00 0.00 0.00 54.97 57.67 1qid s GLU 89 Cb 0.07 -2.85 -0.07 0.00 2.00 0.00 0.00 34.13 33.28 1qid s GLU 89 CO 0.12 -0.63 0.59 -1.64 -0.56 0.00 0.00 175.26 173.13 1qid s MET 90 N -2.23 3.92 -0.14 4.30 -1.94 -1.26 -1.42 119.30 120.54 1qid s MET 90 Ca 0.56 0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 54.69 1qid s MET 90 Cb -0.45 -2.73 0.10 0.00 2.01 0.00 0.00 34.83 33.76 1qid s MET 90 CO 0.60 0.36 0.85 0.45 -0.01 0.00 0.00 175.02 177.26 1qid s SER 91 N -2.07 -0.53 0.46 3.03 0.15 -0.25 -4.89 113.70 109.60 1qid s SER 91 Ca 0.45 0.66 0.25 0.00 0.70 0.00 0.00 55.95 58.00 1qid s SER 91 Cb -0.13 0.55 1.07 0.00 -1.71 0.00 0.00 66.02 65.80 1qid s SER 91 CO 0.20 -0.43 1.90 -0.33 1.20 0.00 0.00 173.24 175.78 1qid h GLU 92 N 3.10 0.00 -5.77 5.44 5.08 -1.94 -3.20 114.58 117.29 1qid h GLU 92 Ca -0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.46 1qid h GLU 92 Cb 1.15 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 1qid h GLU 92 CO 0.30 0.21 1.77 0.34 -1.00 0.00 0.00 179.01 180.63 1qid s ASP 93 N -6.20 6.73 0.00 1.42 -1.08 -1.26 -4.38 116.67 111.89 1qid s ASP 93 Ca -0.01 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.89 1qid s ASP 93 Cb 0.11 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1qid s ASP 93 CO 0.62 -1.23 0.56 0.00 0.52 0.00 0.00 175.17 175.64 1qid s LEU 95 N 0.00 4.05 0.13 0.00 1.43 -1.26 -4.68 118.68 118.35 1qid s LEU 95 Ca 0.00 -1.94 0.01 0.00 -1.03 0.00 0.00 54.13 51.17 1qid s LEU 95 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1qid s LEU 95 CO 0.00 -1.27 -0.01 -0.31 0.23 0.00 0.00 176.35 174.99 1qid s TYR 96 N 4.01 1.00 0.16 0.29 1.51 -1.26 -2.86 117.35 120.20 1qid s TYR 96 Ca 0.45 -1.03 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1qid s TYR 96 Cb -0.00 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1qid s TYR 96 CO -0.05 -0.26 -0.07 -0.48 -1.11 0.00 0.00 175.55 173.57 1qid s LEU 97 N -3.09 2.43 0.02 -1.29 0.05 0.11 -3.15 118.68 113.76 1qid s LEU 97 Ca 0.19 -1.06 0.06 0.00 0.05 0.00 0.00 54.13 53.37 1qid s LEU 97 Cb 0.06 -0.29 -0.02 0.00 -2.05 0.00 0.00 46.19 43.90 1qid s LEU 97 CO -0.00 -0.39 -0.18 0.20 -0.55 0.00 0.00 176.35 175.43 1qid s ASN 98 N -3.18 2.11 -0.06 1.48 0.01 -0.10 -0.73 114.94 114.47 1qid s ASN 98 Ca 0.19 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 1qid s ASN 98 Cb 0.04 -0.19 0.02 0.00 0.41 0.00 0.00 41.25 41.53 1qid s ASN 98 CO 0.02 0.15 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.06 1qid s ILE 99 N -0.65 0.73 -0.25 0.60 1.01 0.58 -1.28 121.20 121.95 1qid s ILE 99 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1qid s ILE 99 Cb -0.08 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1qid s ILE 99 CO 0.01 0.27 0.03 0.26 0.00 0.00 0.00 174.94 175.51 1qid s TRP 100 N 0.94 3.05 -0.13 3.97 0.51 0.71 -0.06 118.94 127.93 1qid s TRP 100 Ca -0.10 -0.69 0.02 0.00 -2.12 0.00 0.00 56.10 53.21 1qid s TRP 100 Cb -0.15 -2.19 -0.00 0.00 -0.81 0.00 0.00 33.47 30.32 1qid s TRP 100 CO 0.00 -0.46 -0.19 0.08 -0.51 0.00 0.00 176.95 175.88 1qid s VAL 101 N 1.55 2.46 0.95 4.03 1.01 -0.04 -1.41 120.40 128.95 1qid s VAL 101 Ca 0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1qid s VAL 101 Cb -0.15 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.35 1qid s VAL 101 CO 0.01 0.54 0.88 -2.65 0.00 0.00 0.00 175.10 173.88 1qid n PRO 102 N 3.77 -0.55 -4.34 2.72 -0.02 -1.26 -0.83 135.00 134.49 1qid n PRO 102 Ca -0.19 -0.10 -0.23 0.00 -2.02 0.00 0.00 63.50 60.96 1qid n PRO 102 Cb 0.52 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 1qid n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qid s SER 103 N -2.41 1.42 0.60 2.55 0.15 -1.26 -3.00 113.70 111.75 1qid s SER 103 Ca 0.64 -0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.88 1qid s SER 103 Cb -0.22 -0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 1qid s SER 103 CO 0.62 -0.02 1.21 -2.16 1.20 0.00 0.00 173.24 174.09 1qid s PRO 104 N 0.87 2.94 0.06 5.44 0.04 -1.26 -4.97 135.00 138.12 1qid s PRO 104 Ca -0.11 1.83 -0.35 0.00 0.04 0.00 0.00 61.00 62.41 1qid s PRO 104 Cb -0.15 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 1qid s PRO 104 CO 0.01 -1.23 1.59 -2.13 0.04 0.00 0.00 177.00 175.28 1qid n ARG 105 N -1.62 1.83 -1.02 4.56 0.63 -1.16 -4.97 116.66 114.91 1qid n ARG 105 Ca 0.14 0.66 -0.29 0.00 -0.92 0.00 0.00 57.85 57.44 1qid n ARG 105 Cb 0.50 -2.41 0.21 0.00 0.45 0.00 0.00 32.46 31.21 1qid n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qid s PRO 106 N 1.58 -0.41 -0.27 -0.14 0.02 -1.26 -5.00 135.00 129.52 1qid s PRO 106 Ca 0.84 0.37 -0.06 0.00 0.02 0.00 0.00 61.00 62.17 1qid s PRO 106 Cb -0.78 -1.65 -0.15 0.00 0.02 0.00 0.00 34.50 31.94 1qid s PRO 106 CO 0.45 -3.26 -0.29 1.63 -0.33 0.00 0.00 177.00 175.20 1qid n LYS 107 N -4.52 0.62 -2.76 5.54 4.76 -1.25 -4.03 118.16 116.52 1qid n LYS 107 Ca 0.07 0.20 -0.06 0.00 -2.87 0.00 0.00 58.31 55.66 1qid n LYS 107 Cb 0.58 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.29 1qid n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qid n SER 108 N -3.73 -3.25 -4.81 4.39 2.88 -0.91 -4.47 113.62 103.72 1qid n SER 108 Ca -0.50 -3.06 -0.22 0.00 -1.33 0.00 0.00 58.87 53.76 1qid n SER 108 Cb 0.94 1.78 -0.05 0.00 -0.75 0.00 0.00 64.21 66.13 1qid n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qid s THR 109 N 0.80 3.37 0.26 2.46 -1.32 0.82 -4.49 115.64 117.54 1qid s THR 109 Ca 0.31 -1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 58.99 1qid s THR 109 Cb 0.09 -3.11 -0.13 0.00 -1.51 0.00 0.00 72.50 67.83 1qid s THR 109 CO -0.12 -0.18 1.32 0.41 -2.21 0.00 0.00 174.62 173.84 1qid n THR 110 N -1.29 1.27 -4.79 5.08 -1.04 -1.26 -0.32 114.28 111.94 1qid n THR 110 Ca -0.02 -0.32 -0.32 0.00 -2.04 0.00 0.00 64.05 61.35 1qid n THR 110 Cb 0.60 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.59 1qid n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qid s VAL 111 N -0.39 3.09 -0.09 12.58 1.01 -0.77 -1.78 120.40 134.05 1qid s VAL 111 Ca 0.65 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1qid s VAL 111 Cb -0.65 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1qid s VAL 111 CO 0.54 0.51 -0.10 -0.04 0.00 0.00 0.00 175.10 176.01 1qid s MET 112 N -0.97 1.60 -0.26 2.72 -1.94 -0.70 -0.79 119.30 118.97 1qid s MET 112 Ca 0.13 -0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 53.73 1qid s MET 112 Cb -0.11 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.23 1qid s MET 112 CO 0.02 -0.13 0.01 0.08 -0.01 0.00 0.00 175.02 174.99 1qid s VAL 113 N 1.23 3.61 -0.03 -6.03 1.01 0.22 0.05 120.40 120.46 1qid s VAL 113 Ca -0.04 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1qid s VAL 113 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1qid s VAL 113 CO -0.03 0.25 0.59 0.86 0.00 0.00 0.00 175.10 176.77 1qid s TRP 114 N 1.48 3.65 -0.29 5.22 -0.11 0.29 -1.17 118.94 128.00 1qid s TRP 114 Ca 0.04 1.16 0.03 0.00 1.22 0.00 0.00 56.10 58.55 1qid s TRP 114 Cb -0.16 -2.62 0.07 0.00 -1.50 0.00 0.00 33.47 29.27 1qid s TRP 114 CO -0.01 0.30 -0.05 0.42 -4.62 0.00 0.00 176.95 173.00 1qid s ILE 115 N 0.04 2.24 0.71 5.86 1.01 -0.03 -2.41 121.20 128.62 1qid s ILE 115 Ca 0.31 -1.90 -0.16 0.00 0.00 0.00 0.00 60.65 58.91 1qid s ILE 115 Cb -0.18 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.87 1qid s ILE 115 CO 0.16 -0.25 1.21 -0.72 0.00 0.00 0.00 174.94 175.35 1qid s TYR 116 N 1.03 2.10 0.00 3.97 -0.85 -1.26 -3.67 117.35 118.67 1qid s TYR 116 Ca -0.01 1.58 0.00 0.00 -0.52 0.00 0.00 57.07 58.12 1qid s TYR 116 Cb -0.20 -3.49 0.00 0.00 0.38 0.00 0.00 41.96 38.66 1qid s TYR 116 CO -0.06 -2.58 0.00 0.41 -1.52 0.00 0.00 175.55 171.80 1qid n GLY 117 N 0.43 1.59 0.00 5.49 0.00 -1.18 -3.66 105.19 107.86 1qid n GLY 117 Ca 0.14 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1qid n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qid n GLY 118 N 5.00 0.76 2.40 -0.02 0.00 -1.26 -4.15 105.19 107.92 1qid n GLY 118 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1qid n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qid n GLY 119 N 0.00 0.95 3.19 -0.02 0.00 -1.26 -1.87 105.19 106.17 1qid n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qid n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qid n PHE 120 N -2.78 0.00 0.12 1.61 3.72 -1.26 -4.75 117.46 114.12 1qid n PHE 120 Ca -0.19 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.22 1qid n PHE 120 Cb 0.62 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 1qid n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qid n TYR 121 N -2.15 0.00 -3.51 1.38 0.18 -0.81 -0.43 117.16 111.82 1qid n TYR 121 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1qid n TYR 121 Cb 0.18 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.15 1qid n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1qid n SER 122 N -0.30 -1.18 0.00 9.48 3.41 -0.78 -3.95 113.62 120.29 1qid n SER 122 Ca 0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1qid n SER 122 Cb 0.06 2.00 0.00 0.00 -0.26 0.00 0.00 64.21 66.01 1qid n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qid n GLY 123 N -0.30 3.54 3.11 5.00 0.00 -1.26 -4.24 105.19 111.03 1qid n GLY 123 Ca -0.04 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1qid n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qid s SER 124 N 0.00 -0.13 0.00 1.61 0.01 -1.26 -4.68 113.70 109.25 1qid s SER 124 Ca 0.00 0.17 0.28 0.00 1.31 0.00 0.00 55.95 57.71 1qid s SER 124 Cb 0.00 0.33 1.00 0.00 0.21 0.00 0.00 66.02 67.57 1qid s SER 124 CO 0.00 -0.21 1.76 -1.54 0.41 0.00 0.00 173.24 173.66 1qid n SER 125 N 2.30 0.21 -0.98 2.44 3.41 -1.26 -4.00 113.62 115.75 1qid n SER 125 Ca -0.17 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1qid n SER 125 Cb 0.57 -0.20 0.25 0.00 -0.26 0.00 0.00 64.21 64.58 1qid n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qid n THR 126 N -1.44 0.40 -1.65 6.66 -2.24 -1.26 -4.83 114.28 109.92 1qid n THR 126 Ca 0.07 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 1qid n THR 126 Cb 0.33 0.82 0.07 0.00 -2.10 0.00 0.00 70.33 69.45 1qid n THR 126 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qid s LEU 127 N -1.52 3.48 0.38 3.22 1.43 -1.26 -4.91 118.68 119.50 1qid s LEU 127 Ca 0.36 2.48 0.05 0.00 -1.03 0.00 0.00 54.13 55.99 1qid s LEU 127 Cb 0.21 -4.60 0.75 0.00 0.03 0.00 0.00 46.19 42.57 1qid s LEU 127 CO 0.30 -2.06 2.02 0.44 0.23 0.00 0.00 176.35 177.28 1qid h ASP 128 N 0.24 0.62 0.56 2.29 3.32 -1.94 -1.26 116.42 120.25 1qid h ASP 128 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1qid h ASP 128 Cb 1.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qid h ASP 128 CO 0.52 0.44 0.00 1.33 -1.72 0.00 0.00 179.24 179.80 1qid n VAL 129 N -4.46 0.96 -0.36 -1.35 0.24 -1.26 -2.33 118.33 109.78 1qid n VAL 129 Ca 0.06 0.28 0.09 0.00 -2.04 0.00 0.00 64.34 62.74 1qid n VAL 129 Cb 0.09 -1.15 0.26 0.00 -1.47 0.00 0.00 33.84 31.57 1qid n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qid n TYR 130 N -1.93 0.85 -1.68 6.34 4.01 -0.48 -4.69 117.16 119.59 1qid n TYR 130 Ca 0.02 -0.53 -0.40 0.00 -0.16 0.00 0.00 57.90 56.84 1qid n TYR 130 Cb 0.18 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1qid n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qid s ASN 131 N -1.03 5.09 0.00 7.72 3.84 -0.98 -4.82 114.94 124.75 1qid s ASN 131 Ca 0.39 1.34 0.21 0.00 0.21 0.00 0.00 52.86 55.02 1qid s ASN 131 Cb 0.22 -2.51 1.17 0.00 -0.55 0.00 0.00 41.25 39.57 1qid s ASN 131 CO 0.25 -2.34 1.66 0.61 -2.79 0.00 0.00 177.10 174.50 1qid n GLY 132 N 5.81 -0.83 0.30 1.21 0.00 -1.26 -3.89 105.19 106.53 1qid n GLY 132 Ca 0.31 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1qid n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qid h LYS 133 N 0.00 0.53 -0.20 1.61 2.10 -1.92 -0.61 116.57 118.08 1qid h LYS 133 Ca 0.00 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 1qid h LYS 133 Cb 0.10 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1qid h LYS 133 CO 0.00 0.38 -0.13 1.88 -2.00 0.00 0.00 179.45 179.58 1qid h TYR 134 N 0.54 0.52 -0.28 0.07 0.05 -1.80 -1.04 116.97 115.02 1qid h TYR 134 Ca 0.14 -0.14 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1qid h TYR 134 Cb -0.01 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1qid h TYR 134 CO 0.00 0.76 -0.34 1.25 -1.05 0.00 0.00 178.16 178.78 1qid h LEU 135 N 0.13 0.78 -0.12 3.88 5.85 -1.70 0.60 115.31 124.72 1qid h LEU 135 Ca 0.04 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1qid h LEU 135 Cb 0.64 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1qid h LEU 135 CO 0.04 1.12 0.07 0.00 -0.34 0.00 0.00 178.44 179.32 1qid h ALA 136 N 0.68 0.16 0.68 1.25 0.00 -1.13 -1.45 119.26 119.45 1qid h ALA 136 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qid h ALA 136 Cb 0.93 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qid h ALA 136 CO 0.08 -0.32 -0.33 -0.92 0.00 0.00 0.00 179.25 177.77 1qid h TYR 137 N 0.11 -0.85 -0.46 0.00 3.20 -1.16 -0.07 116.97 117.74 1qid h TYR 137 Ca 0.04 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qid h TYR 137 Cb 0.06 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1qid h TYR 137 CO -0.05 -0.49 0.29 1.15 -1.64 0.00 0.00 178.16 177.42 1qid h THR 138 N -1.12 1.08 -0.02 1.81 2.02 -0.90 -3.05 112.91 112.72 1qid h THR 138 Ca -0.09 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1qid h THR 138 Cb 0.73 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1qid h THR 138 CO 0.15 0.11 -0.06 -0.62 0.37 0.00 0.00 175.52 175.47 1qid n GLU 139 N -4.80 1.98 -3.46 6.66 -0.58 -0.55 -4.99 120.64 114.90 1qid n GLU 139 Ca 0.02 -1.52 -0.18 0.00 -0.42 0.00 0.00 57.16 55.06 1qid n GLU 139 Cb 0.05 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1qid n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qid n GLU 140 N 0.82 -5.63 -4.35 3.49 1.02 -0.08 -5.02 120.64 110.88 1qid n GLU 140 Ca 0.15 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.88 1qid n GLU 140 Cb 0.51 -5.70 -0.11 0.00 -0.02 0.00 0.00 31.44 26.13 1qid n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qid s VAL 141 N -3.43 1.87 -0.38 2.62 -7.23 -0.94 -4.74 120.40 108.17 1qid s VAL 141 Ca 0.07 -2.06 -0.24 0.00 -1.81 0.00 0.00 61.98 57.94 1qid s VAL 141 Cb -0.01 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1qid s VAL 141 CO 0.75 -0.41 0.84 -0.69 -0.31 0.00 0.00 175.10 175.28 1qid s VAL 142 N -2.37 4.66 -0.23 1.32 1.01 -0.73 -4.41 120.40 119.65 1qid s VAL 142 Ca 0.19 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 1qid s VAL 142 Cb -0.04 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1qid s VAL 142 CO 0.08 -0.51 0.23 -0.22 0.00 0.00 0.00 175.10 174.67 1qid s LEU 143 N 3.27 4.12 -0.04 3.92 1.98 -0.50 -1.72 118.68 129.71 1qid s LEU 143 Ca 0.34 0.22 0.06 0.00 -2.89 0.00 0.00 54.13 51.86 1qid s LEU 143 Cb -0.13 -2.22 -0.01 0.00 0.66 0.00 0.00 46.19 44.49 1qid s LEU 143 CO 0.18 0.02 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.74 1qid s VAL 144 N 1.15 1.91 -0.09 1.68 1.01 0.11 -0.21 120.40 125.96 1qid s VAL 144 Ca 0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1qid s VAL 144 Cb -0.14 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1qid s VAL 144 CO 0.06 0.54 -0.15 -0.94 0.00 0.00 0.00 175.10 174.61 1qid s SER 145 N -0.30 2.25 0.26 3.32 1.04 -0.40 0.10 113.70 119.97 1qid s SER 145 Ca 0.02 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.10 1qid s SER 145 Cb -0.12 -1.01 0.04 0.00 0.10 0.00 0.00 66.02 65.03 1qid s SER 145 CO 0.02 0.03 0.30 0.00 0.98 0.00 0.00 173.24 174.56 1qid n LEU 146 N 4.02 0.00 -4.07 2.42 -0.00 -1.01 -0.92 117.00 117.44 1qid n LEU 146 Ca -0.20 -1.23 -0.09 0.00 -0.00 0.00 0.00 56.01 54.49 1qid n LEU 146 Cb 0.52 -0.12 -0.09 0.00 -0.00 0.00 0.00 43.42 43.72 1qid n LEU 146 CO 0.24 -0.52 -0.21 -0.94 -0.00 0.00 0.00 177.39 175.97 1qid s SER 147 N -2.60 0.23 0.04 1.45 1.04 -1.19 -4.54 113.70 108.14 1qid s SER 147 Ca 0.23 -1.05 -0.27 0.00 0.48 0.00 0.00 55.95 55.33 1qid s SER 147 Cb -0.02 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1qid s SER 147 CO 0.14 -0.77 0.65 -0.72 0.98 0.00 0.00 173.24 173.53 1qid s TYR 148 N -4.00 -0.59 0.31 5.02 1.13 -1.26 -4.44 117.35 113.52 1qid s TYR 148 Ca 0.19 0.75 -0.29 0.00 -1.41 0.00 0.00 57.07 56.31 1qid s TYR 148 Cb 0.06 0.48 -0.10 0.00 -1.10 0.00 0.00 41.96 41.30 1qid s TYR 148 CO -0.01 -0.71 1.30 1.03 -2.51 0.00 0.00 175.55 174.65 1qid s ARG 149 N -2.37 4.38 0.43 -3.49 0.52 -1.26 -4.89 118.95 112.27 1qid s ARG 149 Ca -0.05 2.17 0.05 0.00 -0.52 0.00 0.00 55.73 57.39 1qid s ARG 149 Cb -0.00 -3.09 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 1qid s ARG 149 CO -0.01 -0.17 0.01 0.14 0.02 0.00 0.00 175.30 175.30 1qid s VAL 150 N -1.01 1.72 0.00 3.52 -7.23 -1.26 -4.17 120.40 111.97 1qid s VAL 150 Ca 0.49 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1qid s VAL 150 Cb -0.39 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1qid s VAL 150 CO 0.50 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1qid n GLY 151 N -1.02 0.66 0.37 2.32 0.00 0.43 -2.54 105.19 105.40 1qid n GLY 151 Ca -0.08 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.21 1qid n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qid h ALA 152 N -0.85 1.80 -0.52 4.61 0.00 -1.90 -0.12 119.26 122.28 1qid h ALA 152 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1qid h ALA 152 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1qid h ALA 152 CO 0.00 0.01 0.36 0.74 0.00 0.00 0.00 179.25 180.36 1qid h PHE 153 N 0.71 0.29 0.00 0.00 0.04 -1.91 -1.03 116.94 115.03 1qid h PHE 153 Ca 0.39 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.17 1qid h PHE 153 Cb 0.55 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1qid h PHE 153 CO -0.00 0.14 -0.71 0.41 -0.60 0.00 0.00 178.31 177.55 1qid n GLY 154 N -1.55 -0.03 0.00 -1.45 0.00 -0.48 -4.18 105.19 97.49 1qid n GLY 154 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qid n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qid n PHE 155 N -1.38 0.00 -1.68 1.61 3.72 -0.18 -0.50 117.46 119.04 1qid n PHE 155 Ca 0.01 -0.07 -0.45 0.00 -0.05 0.00 0.00 57.45 56.89 1qid n PHE 155 Cb 0.17 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 1qid n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1qid n LEU 156 N -0.07 3.48 -3.87 4.37 7.94 -0.41 -4.48 117.00 123.97 1qid n LEU 156 Ca 0.00 1.04 -0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1qid n LEU 156 Cb 0.42 -1.46 -0.16 0.00 0.53 0.00 0.00 43.42 42.75 1qid n LEU 156 CO 0.00 -0.08 -0.41 0.00 -1.11 0.00 0.00 177.39 175.79 1qid s ALA 157 N 1.97 1.52 -0.72 1.96 0.00 -1.26 -3.30 121.76 121.93 1qid s ALA 157 Ca 0.82 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1qid s ALA 157 Cb -0.62 -1.23 0.21 0.00 0.00 0.00 0.00 23.12 21.49 1qid s ALA 157 CO 0.40 -1.00 0.67 1.28 0.00 0.00 0.00 175.76 177.11 1qid n LEU 158 N 4.85 3.59 -4.47 0.00 4.77 0.06 -2.71 117.00 123.09 1qid n LEU 158 Ca -0.11 -5.30 -0.44 0.00 -0.03 0.00 0.00 56.01 50.13 1qid n LEU 158 Cb 0.46 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1qid n LEU 158 CO 0.16 1.86 0.16 1.57 -1.33 0.00 0.00 177.39 179.81 1qid n HIS 159 N 1.52 -0.10 0.00 -1.77 -0.00 -1.26 -1.60 115.22 112.01 1qid n HIS 159 Ca 0.24 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.68 1qid n HIS 159 Cb 0.37 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1qid n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qid n GLY 160 N 1.71 2.94 3.86 1.57 0.00 -1.26 -5.03 105.19 108.98 1qid n GLY 160 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1qid n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qid s SER 161 N 0.81 6.75 0.00 1.61 0.15 -0.63 -4.98 113.70 117.41 1qid s SER 161 Ca 0.00 1.05 0.22 0.00 0.70 0.00 0.00 55.95 57.92 1qid s SER 161 Cb 0.00 -2.28 -0.16 0.00 -1.71 0.00 0.00 66.02 61.88 1qid s SER 161 CO 0.00 -0.00 0.96 0.00 1.20 0.00 0.00 173.24 175.40 1qid n GLN 162 N 0.30 0.40 0.06 5.44 1.13 -1.26 -3.53 117.38 119.93 1qid n GLN 162 Ca -0.02 -0.33 -0.08 0.00 -1.94 0.00 0.00 57.00 54.63 1qid n GLN 162 Cb 0.52 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.26 1qid n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qid h GLU 163 N 0.80 0.02 -1.19 -1.09 4.39 -1.93 -3.40 114.58 112.19 1qid h GLU 163 Ca 0.00 -0.04 -0.41 0.00 0.34 0.00 0.00 59.36 59.25 1qid h GLU 163 Cb 0.59 0.01 -0.28 0.00 -0.10 0.00 0.00 28.75 28.96 1qid h GLU 163 CO 0.00 1.02 -0.84 0.00 -1.16 0.00 0.00 179.01 178.02 1qid n ALA 164 N -2.36 0.80 0.23 3.43 0.00 -1.26 -3.30 120.51 118.04 1qid n ALA 164 Ca -0.01 -2.53 0.12 0.00 0.00 0.00 0.00 53.44 51.02 1qid n ALA 164 Cb 0.95 -1.04 0.44 0.00 0.00 0.00 0.00 19.45 19.80 1qid n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qid h PRO 165 N 4.09 0.00 0.00 0.00 0.13 -1.75 0.20 132.00 134.67 1qid h PRO 165 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1qid h PRO 165 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1qid h PRO 165 CO 0.39 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1qid n GLY 166 N 0.34 1.15 2.74 1.56 0.00 -1.21 -4.43 105.19 105.35 1qid n GLY 166 Ca 0.01 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 1qid n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qid n ASN 167 N -0.09 -4.81 0.26 1.61 3.02 -1.26 -4.81 115.26 109.18 1qid n ASN 167 Ca 0.00 0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 1qid n ASN 167 Cb 0.00 -3.08 0.70 0.00 -0.61 0.00 0.00 39.78 36.79 1qid n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qid h VAL 168 N 0.00 0.68 -0.40 2.41 -1.51 -1.83 -0.70 116.25 114.90 1qid h VAL 168 Ca -0.05 -0.50 -0.08 0.00 -1.23 0.00 0.00 66.70 64.84 1qid h VAL 168 Cb 0.85 1.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1qid h VAL 168 CO 0.07 0.12 -0.10 1.23 -1.23 0.00 0.00 177.57 177.65 1qid h GLY 169 N 0.70 0.75 1.66 5.19 0.00 -1.01 -0.18 103.07 110.18 1qid h GLY 169 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 1qid h GLY 169 CO 0.02 0.50 -0.56 1.41 0.00 0.00 0.00 176.54 177.91 1qid h LEU 170 N 0.64 0.39 -0.94 3.11 3.38 -1.42 -2.58 115.31 117.89 1qid h LEU 170 Ca 0.11 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1qid h LEU 170 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1qid h LEU 170 CO 0.03 0.87 -0.42 -0.07 0.09 0.00 0.00 178.44 178.94 1qid h LEU 171 N 0.27 0.23 -0.03 1.67 3.38 -0.81 -0.61 115.31 119.42 1qid h LEU 171 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1qid h LEU 171 Cb 1.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1qid h LEU 171 CO 0.09 0.64 0.02 0.44 0.09 0.00 0.00 178.44 179.72 1qid h ASP 172 N 0.19 0.03 -0.30 -0.43 3.32 -0.73 0.24 116.42 118.74 1qid h ASP 172 Ca 0.02 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1qid h ASP 172 Cb 0.83 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1qid h ASP 172 CO 0.06 0.04 0.02 1.56 -1.72 0.00 0.00 179.24 179.20 1qid h GLN 173 N 0.02 0.11 -0.87 3.56 4.20 -1.09 -1.44 115.11 119.60 1qid h GLN 173 Ca 0.01 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1qid h GLN 173 Cb 0.01 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1qid h GLN 173 CO -0.00 0.08 0.56 -0.09 -0.67 0.00 0.00 178.83 178.70 1qid h ARG 174 N 0.12 1.03 -0.54 1.46 2.43 -0.62 -0.36 114.38 117.89 1qid h ARG 174 Ca 0.14 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1qid h ARG 174 Cb 0.17 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1qid h ARG 174 CO -0.22 0.68 0.15 1.98 -1.51 0.00 0.00 179.97 181.06 1qid h MET 175 N 1.06 0.82 -0.49 0.20 4.05 0.29 0.13 114.93 120.99 1qid h MET 175 Ca 0.36 -0.16 -0.13 0.00 -0.28 0.00 0.00 59.70 59.49 1qid h MET 175 Cb 0.06 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1qid h MET 175 CO -0.13 0.72 -0.20 0.00 0.23 0.00 0.00 176.91 177.53 1qid h ALA 176 N 1.37 0.71 -0.27 0.39 0.00 -0.37 -1.28 119.26 119.81 1qid h ALA 176 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1qid h ALA 176 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qid h ALA 176 CO -0.01 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.72 1qid h LEU 177 N 0.86 0.44 -0.68 0.00 3.38 -0.39 -1.39 115.31 117.53 1qid h LEU 177 Ca 0.11 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1qid h LEU 177 Cb 0.78 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1qid h LEU 177 CO 0.06 0.60 0.05 -0.61 0.09 0.00 0.00 178.44 178.64 1qid h GLN 178 N 0.43 1.07 -0.57 1.13 5.75 -0.22 -1.08 115.11 121.62 1qid h GLN 178 Ca 0.08 -0.31 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 1qid h GLN 178 Cb 0.48 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1qid h GLN 178 CO 0.03 1.01 0.07 2.35 -2.65 0.00 0.00 178.83 179.64 1qid h TRP 179 N 0.99 1.02 -0.36 3.99 7.01 -0.74 -0.98 115.95 126.88 1qid h TRP 179 Ca 0.19 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1qid h TRP 179 Cb 0.49 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1qid h TRP 179 CO 0.03 0.90 0.21 0.28 -2.79 0.00 0.00 178.44 177.07 1qid h VAL 180 N 0.84 1.13 -0.74 2.65 2.07 -1.01 0.35 116.25 121.55 1qid h VAL 180 Ca 0.17 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1qid h VAL 180 Cb 0.45 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1qid h VAL 180 CO 0.02 0.13 0.48 -0.74 0.02 0.00 0.00 177.57 177.47 1qid h HIS 181 N 0.46 0.89 0.00 1.57 -0.00 -0.97 0.11 115.15 117.21 1qid h HIS 181 Ca 0.13 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1qid h HIS 181 Cb 0.03 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1qid h HIS 181 CO -0.03 0.53 -0.43 -0.44 -0.00 0.00 0.00 177.93 177.55 1qid h ASP 182 N 0.94 0.00 0.00 3.26 3.32 -0.74 -3.41 116.42 119.79 1qid h ASP 182 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1qid h ASP 182 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1qid h ASP 182 CO -0.09 0.32 -0.26 0.59 -1.72 0.00 0.00 179.24 178.07 1qid n ASN 183 N -3.13 1.32 0.33 6.45 3.02 0.12 -4.79 115.26 118.58 1qid n ASN 183 Ca 0.02 -0.21 0.20 0.00 -0.03 0.00 0.00 54.58 54.56 1qid n ASN 183 Cb 0.67 0.69 1.10 0.00 -0.61 0.00 0.00 39.78 41.63 1qid n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qid h ILE 184 N 0.00 0.08 0.00 2.41 6.09 -1.11 -1.53 117.51 123.46 1qid h ILE 184 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1qid h ILE 184 Cb 0.00 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 38.21 1qid h ILE 184 CO 0.00 0.00 -0.14 0.06 -3.07 0.00 0.00 178.15 175.00 1qid h GLN 185 N 0.00 0.00 0.00 2.19 3.07 -1.80 -0.68 115.11 117.89 1qid h GLN 185 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1qid h GLN 185 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1qid h GLN 185 CO -0.00 0.14 0.00 1.19 0.09 0.00 0.00 178.83 180.25 1qid n PHE 186 N -4.34 0.76 0.18 0.06 3.72 -0.57 -2.44 117.46 114.82 1qid n PHE 186 Ca -0.03 0.26 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 1qid n PHE 186 Cb 0.21 -0.92 0.20 0.00 -0.94 0.00 0.00 39.48 38.04 1qid n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qid n PHE 187 N -2.15 0.49 -0.24 1.38 3.01 -0.63 -4.87 117.46 114.45 1qid n PHE 187 Ca 0.04 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.21 1qid n PHE 187 Cb 0.32 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1qid n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qid n GLY 188 N 1.29 0.66 3.87 1.37 0.00 -1.02 -4.58 105.19 106.79 1qid n GLY 188 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1qid n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qid s GLY 189 N -1.35 2.08 -0.44 -0.02 0.00 -0.36 -0.13 107.32 107.10 1qid s GLY 189 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.32 1qid s GLY 189 CO 0.00 -0.04 0.52 -0.35 0.00 0.00 0.00 173.10 173.23 1qid s ASP 190 N -2.82 6.23 0.39 1.64 2.15 0.56 -3.47 116.67 121.35 1qid s ASP 190 Ca 0.50 -0.65 0.27 0.00 0.43 0.00 0.00 52.55 53.10 1qid s ASP 190 Cb -0.10 -2.26 1.38 0.00 -0.30 0.00 0.00 42.92 41.64 1qid s ASP 190 CO 0.26 -0.68 1.83 1.55 -0.17 0.00 0.00 175.17 177.95 1qid h PRO 191 N 8.81 0.00 -0.08 4.34 0.13 -1.88 -1.34 132.00 141.98 1qid h PRO 191 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1qid h PRO 191 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qid h PRO 191 CO 0.85 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.98 1qid n LYS 192 N -2.46 1.90 -3.11 0.86 2.85 -1.26 -4.34 118.16 112.59 1qid n LYS 192 Ca -0.01 -1.32 -0.22 0.00 -1.05 0.00 0.00 58.31 55.72 1qid n LYS 192 Cb 0.10 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 32.98 1qid n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qid n THR 193 N 0.57 1.05 -4.33 0.58 -1.04 -0.50 -4.70 114.28 105.91 1qid n THR 193 Ca 0.17 -4.94 -0.34 0.00 -2.04 0.00 0.00 64.05 56.90 1qid n THR 193 Cb 0.42 -0.80 -0.11 0.00 -1.82 0.00 0.00 70.33 68.03 1qid n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qid s VAL 194 N -3.11 4.21 -0.19 12.58 0.11 -1.26 -1.85 120.40 130.89 1qid s VAL 194 Ca 0.43 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 1qid s VAL 194 Cb 0.31 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1qid s VAL 194 CO -0.10 0.54 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.20 1qid s THR 195 N -0.17 2.83 -0.03 5.04 2.01 0.03 -0.87 115.64 124.49 1qid s THR 195 Ca 0.04 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1qid s THR 195 Cb -0.13 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1qid s THR 195 CO 0.02 0.48 0.39 0.27 -0.69 0.00 0.00 174.62 175.09 1qid s ILE 196 N 1.22 5.09 0.00 1.82 -4.36 -0.99 -0.61 121.20 123.38 1qid s ILE 196 Ca 0.02 0.79 -0.08 0.00 -0.26 0.00 0.00 60.65 61.12 1qid s ILE 196 Cb -0.14 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 39.88 1qid s ILE 196 CO -0.05 0.55 0.16 0.72 0.24 0.00 0.00 174.94 176.56 1qid s PHE 197 N -0.85 0.02 0.11 1.37 -0.71 -0.32 -1.53 117.98 116.06 1qid s PHE 197 Ca 0.23 -0.09 -0.26 0.00 -1.04 0.00 0.00 56.93 55.77 1qid s PHE 197 Cb -0.16 -0.03 0.07 0.00 -1.21 0.00 0.00 43.02 41.69 1qid s PHE 197 CO 0.12 -0.31 0.89 0.20 -1.34 0.00 0.00 175.22 174.78 1qid s GLY 198 N -1.42 -0.34 0.05 1.99 0.00 -1.14 -0.85 107.32 105.61 1qid s GLY 198 Ca -0.14 0.44 0.08 0.00 0.00 0.00 0.00 44.72 45.10 1qid s GLY 198 CO 0.02 0.13 -0.22 1.85 0.00 0.00 0.00 173.10 174.87 1qid s GLU 199 N -3.31 1.92 5.90 2.90 -6.30 -1.24 -1.25 118.70 117.32 1qid s GLU 199 Ca 0.09 -1.06 0.00 0.00 -2.50 0.00 0.00 54.97 51.50 1qid s GLU 199 Cb -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 34.13 32.03 1qid s GLU 199 CO -0.03 0.52 0.00 0.45 0.02 0.00 0.00 175.26 176.23 1qid n SER 200 N 1.58 0.00 0.07 -1.70 2.88 0.29 -0.32 113.62 116.42 1qid n SER 200 Ca -0.17 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.58 1qid n SER 200 Cb 0.52 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.73 1qid n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qid h ALA 201 N -0.74 2.21 -0.16 -1.46 0.00 -1.87 0.47 119.26 117.70 1qid h ALA 201 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1qid h ALA 201 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qid h ALA 201 CO 0.00 -0.62 -0.65 0.78 0.00 0.00 0.00 179.25 178.76 1qid h GLY 202 N 0.00 0.68 1.15 0.00 0.00 -0.74 0.36 103.07 104.51 1qid h GLY 202 Ca 0.20 -0.87 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 1qid h GLY 202 CO -0.00 0.78 -0.32 -1.33 0.00 0.00 0.00 176.54 175.67 1qid h GLY 203 N 0.95 1.03 1.00 4.60 0.00 -0.08 -0.86 103.07 109.71 1qid h GLY 203 Ca -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 1qid h GLY 203 CO 0.13 0.90 0.28 0.00 0.00 0.00 0.00 176.54 177.85 1qid h ALA 204 N 0.83 0.80 -0.18 3.60 0.00 -0.86 -1.72 119.26 121.73 1qid h ALA 204 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qid h ALA 204 Cb 0.91 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1qid h ALA 204 CO 0.08 0.38 0.04 0.77 0.00 0.00 0.00 179.25 180.52 1qid h SER 205 N 0.86 0.01 -0.51 0.00 0.02 -0.66 0.70 113.55 113.97 1qid h SER 205 Ca 0.21 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 1qid h SER 205 Cb 0.15 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 1qid h SER 205 CO -0.02 0.03 0.10 0.58 -1.14 0.00 0.00 176.83 176.38 1qid h VAL 206 N 0.11 0.71 -0.21 2.27 2.07 -0.77 0.14 116.25 120.56 1qid h VAL 206 Ca 0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1qid h VAL 206 Cb 0.08 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1qid h VAL 206 CO -0.11 0.04 0.00 1.23 0.02 0.00 0.00 177.57 178.76 1qid h GLY 207 N 0.24 0.33 1.73 2.17 0.00 -0.69 -2.08 103.07 104.76 1qid h GLY 207 Ca 0.26 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1qid h GLY 207 CO -0.34 0.16 -0.42 -0.33 0.00 0.00 0.00 176.54 175.61 1qid h MET 208 N 0.31 0.30 0.00 4.80 2.86 0.16 -2.11 114.93 121.24 1qid h MET 208 Ca 0.07 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1qid h MET 208 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1qid h MET 208 CO 0.00 0.68 -0.62 0.45 1.06 0.00 0.00 176.91 178.48 1qid h HIS 209 N 0.25 0.00 -0.38 -0.22 3.86 -0.51 0.13 115.15 118.28 1qid h HIS 209 Ca 0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1qid h HIS 209 Cb 0.85 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1qid h HIS 209 CO 0.02 0.62 -0.22 0.82 0.86 0.00 0.00 177.93 180.03 1qid h ILE 210 N 0.00 1.27 0.01 2.45 2.04 -1.09 -3.14 117.51 119.04 1qid h ILE 210 Ca -0.01 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1qid h ILE 210 Cb 1.22 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1qid h ILE 210 CO 0.08 0.44 -0.09 -0.07 0.00 0.00 0.00 178.15 178.51 1qid h LEU 211 N 0.65 0.06 -9.25 1.44 3.38 -1.02 0.54 115.31 111.10 1qid h LEU 211 Ca 0.09 -0.90 -0.55 0.00 0.09 0.00 0.00 57.88 56.62 1qid h LEU 211 Cb 0.72 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1qid h LEU 211 CO 0.06 0.95 1.25 -0.55 0.09 0.00 0.00 178.44 180.24 1qid s SER 212 N -6.21 6.31 0.31 -0.43 0.15 0.43 -4.63 113.70 109.62 1qid s SER 212 Ca -0.18 2.39 0.07 0.00 0.70 0.00 0.00 55.95 58.93 1qid s SER 212 Cb -0.02 -2.53 0.79 0.00 -1.71 0.00 0.00 66.02 62.56 1qid s SER 212 CO 0.70 -1.20 1.75 -0.65 1.20 0.00 0.00 173.24 175.04 1qid h PRO 213 N 11.20 0.65 0.00 5.44 0.11 -1.87 -0.83 132.00 146.70 1qid h PRO 213 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qid h PRO 213 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1qid h PRO 213 CO 0.95 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1qid n GLY 214 N -1.32 -0.97 0.04 -0.55 0.00 -1.26 -3.49 105.19 97.63 1qid n GLY 214 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1qid n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qid n SER 215 N -1.45 2.41 -0.32 1.61 7.64 -0.34 -4.77 113.62 118.41 1qid n SER 215 Ca 0.05 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.11 1qid n SER 215 Cb 0.17 0.89 0.37 0.00 -1.01 0.00 0.00 64.21 64.63 1qid n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qid h ARG 216 N 0.00 0.17 0.00 1.43 3.08 -1.45 -0.91 114.38 116.71 1qid h ARG 216 Ca -0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1qid h ARG 216 Cb 1.45 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1qid h ARG 216 CO 0.01 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 1qid n ASP 217 N -5.23 0.00 -0.35 7.04 9.92 -1.26 -3.65 116.55 123.02 1qid n ASP 217 Ca 0.26 0.41 0.14 0.00 -0.53 0.00 0.00 54.79 55.07 1qid n ASP 217 Cb 0.84 -0.46 0.62 0.00 -0.64 0.00 0.00 41.12 41.48 1qid n ASP 217 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1qid n LEU 218 N -1.46 1.08 -3.74 0.64 4.77 -0.34 -4.92 117.00 113.03 1qid n LEU 218 Ca 0.06 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.57 1qid n LEU 218 Cb 0.23 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1qid n LEU 218 CO 0.19 0.19 0.18 0.72 -1.33 0.00 0.00 177.39 177.34 1qid s PHE 219 N -1.98 -0.06 -0.24 -1.77 -0.71 -1.24 -4.80 117.98 107.18 1qid s PHE 219 Ca 0.40 -0.28 -0.16 0.00 -1.04 0.00 0.00 56.93 55.84 1qid s PHE 219 Cb 0.21 0.27 -0.13 0.00 -1.21 0.00 0.00 43.02 42.16 1qid s PHE 219 CO 0.33 -0.81 -0.18 -2.13 -1.34 0.00 0.00 175.22 171.10 1qid n ARG 220 N -0.28 0.57 -4.34 1.99 3.00 -0.05 -4.96 116.66 112.59 1qid n ARG 220 Ca -0.12 0.37 -0.18 0.00 -0.00 0.00 0.00 57.85 57.92 1qid n ARG 220 Cb 0.63 -1.57 -0.10 0.00 0.00 0.00 0.00 32.46 31.42 1qid n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1qid s ARG 221 N -2.49 1.54 -0.00 -0.14 0.52 -0.97 -4.65 118.95 112.75 1qid s ARG 221 Ca -0.33 -1.86 -0.09 0.00 -0.52 0.00 0.00 55.73 52.92 1qid s ARG 221 Cb 0.10 -0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.39 1qid s ARG 221 CO 0.50 -0.39 0.18 0.00 0.02 0.00 0.00 175.30 175.60 1qid s ALA 222 N -3.65 -0.43 -0.07 2.13 0.00 -1.17 -2.34 121.76 116.24 1qid s ALA 222 Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1qid s ALA 222 Cb 0.06 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1qid s ALA 222 CO 0.16 -0.22 -0.10 0.42 0.00 0.00 0.00 175.76 176.02 1qid s ILE 223 N -1.32 0.99 -0.19 0.00 1.01 -0.58 -1.59 121.20 119.51 1qid s ILE 223 Ca -0.14 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1qid s ILE 223 Cb -0.07 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1qid s ILE 223 CO 0.02 0.33 -0.16 -0.76 0.00 0.00 0.00 174.94 174.37 1qid s LEU 224 N 0.88 2.21 -0.25 2.97 1.02 -0.08 -2.87 118.68 122.55 1qid s LEU 224 Ca -0.11 -0.75 -0.06 0.00 0.02 0.00 0.00 54.13 53.24 1qid s LEU 224 Cb -0.15 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 1qid s LEU 224 CO 0.01 -0.06 0.03 -1.10 0.02 0.00 0.00 176.35 175.25 1qid s GLN 225 N 1.34 3.39 -1.52 1.70 -0.21 -0.38 -2.06 119.66 121.92 1qid s GLN 225 Ca 0.02 -0.64 -0.10 0.00 0.02 0.00 0.00 55.36 54.67 1qid s GLN 225 Cb -0.14 -3.21 0.07 0.00 1.00 0.00 0.00 33.01 30.72 1qid s GLN 225 CO -0.11 -0.26 0.74 0.43 -2.12 0.00 0.00 175.29 173.97 1qid n SER 226 N 4.86 -2.70 -3.64 5.90 7.64 0.08 -0.55 113.62 125.21 1qid n SER 226 Ca -0.16 -0.91 -0.03 0.00 1.01 0.00 0.00 58.87 58.78 1qid n SER 226 Cb 0.50 -3.37 -0.05 0.00 -1.01 0.00 0.00 64.21 60.28 1qid n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1qid s GLY 227 N -3.73 0.18 0.05 0.23 0.00 -1.26 -3.25 107.32 99.54 1qid s GLY 227 Ca 0.42 3.09 -0.07 0.00 0.00 0.00 0.00 44.72 48.16 1qid s GLY 227 CO 0.87 1.48 0.13 -1.35 0.00 0.00 0.00 173.10 174.23 1qid s SER 228 N -0.54 0.15 0.46 1.64 1.04 -1.26 -3.99 113.70 111.21 1qid s SER 228 Ca 0.08 -0.55 0.17 0.00 0.48 0.00 0.00 55.95 56.13 1qid s SER 228 Cb -0.03 0.26 1.14 0.00 0.10 0.00 0.00 66.02 67.50 1qid s SER 228 CO -0.11 -0.57 1.98 1.55 0.98 0.00 0.00 173.24 177.07 1qid h PRO 229 N 3.38 0.27 -0.28 4.02 0.13 -1.81 -2.41 132.00 135.30 1qid h PRO 229 Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qid h PRO 229 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qid h PRO 229 CO 0.52 0.18 0.00 0.27 -0.23 0.00 0.00 178.00 178.74 1qid n ASN 230 N -4.45 1.18 -4.77 1.44 6.94 -1.26 -4.72 115.26 109.62 1qid n ASN 230 Ca 0.10 -2.03 -0.41 0.00 -0.02 0.00 0.00 54.58 52.22 1qid n ASN 230 Cb 0.45 -0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 1qid n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qid h PRO 232 N 3.56 0.00 0.00 0.00 0.13 -1.84 -1.34 132.00 132.51 1qid h PRO 232 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qid h PRO 232 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qid h PRO 232 CO 0.68 0.00 -1.31 -2.67 -0.23 0.00 0.00 178.00 174.47 1qid n TRP 233 N -3.08 0.00 0.36 1.56 4.27 -1.26 -4.56 117.44 114.73 1qid n TRP 233 Ca -0.00 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.75 1qid n TRP 233 Cb 0.39 -0.17 0.50 0.00 -1.36 0.00 0.00 31.31 30.67 1qid n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qid h ALA 234 N 2.51 1.00 -2.90 -1.67 0.00 -1.55 -3.42 119.26 113.23 1qid h ALA 234 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qid h ALA 234 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1qid h ALA 234 CO 0.00 0.00 0.07 -1.54 0.00 0.00 0.00 179.25 177.78 1qid s SER 235 N -5.11 -0.30 0.14 0.00 1.04 -1.26 -3.46 113.70 104.75 1qid s SER 235 Ca 0.04 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1qid s SER 235 Cb 0.09 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1qid s SER 235 CO 0.52 -1.07 0.08 0.68 0.98 0.00 0.00 173.24 174.44 1qid s VAL 236 N -3.86 0.08 0.79 5.02 -7.23 -0.44 -4.97 120.40 109.79 1qid s VAL 236 Ca 0.08 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 1qid s VAL 236 Cb -0.01 -2.10 0.07 0.00 0.56 0.00 0.00 36.38 34.90 1qid s VAL 236 CO -0.04 -0.39 1.11 -0.94 -0.31 0.00 0.00 175.10 174.54 1qid s SER 237 N -3.06 4.56 0.40 4.85 1.04 -1.26 -2.08 113.70 118.15 1qid s SER 237 Ca 0.26 1.18 0.14 0.00 0.48 0.00 0.00 55.95 58.01 1qid s SER 237 Cb 0.07 -1.89 0.84 0.00 0.10 0.00 0.00 66.02 65.13 1qid s SER 237 CO 0.03 -1.91 1.89 -0.37 0.98 0.00 0.00 173.24 173.86 1qid h VAL 238 N -1.05 1.19 -0.10 5.02 -1.51 -1.94 -0.14 116.25 117.71 1qid h VAL 238 Ca -0.47 -1.04 -0.02 0.00 -1.23 0.00 0.00 66.70 63.94 1qid h VAL 238 Cb 1.28 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 1qid h VAL 238 CO 0.61 0.30 -0.01 0.00 -1.23 0.00 0.00 177.57 177.24 1qid h ALA 239 N 1.70 0.14 -0.25 5.19 0.00 -1.94 0.56 119.26 124.65 1qid h ALA 239 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1qid h ALA 239 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qid h ALA 239 CO 0.04 -0.16 -0.35 1.49 0.00 0.00 0.00 179.25 180.26 1qid h GLU 240 N -0.10 0.55 -0.16 0.00 4.57 -1.86 -0.66 114.58 116.91 1qid h GLU 240 Ca 0.03 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1qid h GLU 240 Cb 0.37 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1qid h GLU 240 CO 0.01 0.83 0.09 0.78 -1.18 0.00 0.00 179.01 179.53 1qid h GLY 241 N 1.05 0.24 0.86 1.92 0.00 -0.91 -0.95 103.07 105.28 1qid h GLY 241 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1qid h GLY 241 CO 0.07 0.11 0.07 -0.09 0.00 0.00 0.00 176.54 176.69 1qid h ARG 242 N 0.17 0.16 -0.57 4.80 2.43 -0.67 -1.51 114.38 119.19 1qid h ARG 242 Ca 0.06 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1qid h ARG 242 Cb 0.06 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1qid h ARG 242 CO -0.01 0.11 0.23 -0.09 -1.51 0.00 0.00 179.97 178.69 1qid h ARG 243 N 0.17 0.41 -0.27 0.20 2.43 -0.89 -1.37 114.38 115.05 1qid h ARG 243 Ca 0.08 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1qid h ARG 243 Cb 0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1qid h ARG 243 CO -0.08 0.27 -0.34 0.00 -1.51 0.00 0.00 179.97 178.31 1qid h ARG 244 N 0.42 0.59 -0.61 0.20 3.08 -0.84 -1.73 114.38 115.49 1qid h ARG 244 Ca 0.28 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1qid h ARG 244 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1qid h ARG 244 CO -0.26 0.85 0.17 0.00 -1.07 0.00 0.00 179.97 179.66 1qid h ALA 245 N 1.13 0.80 -0.61 0.04 0.00 -0.77 -0.63 119.26 119.23 1qid h ALA 245 Ca 0.06 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1qid h ALA 245 Cb 0.83 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qid h ALA 245 CO 0.07 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.15 1qid h VAL 246 N 0.88 1.26 -0.15 0.00 2.07 -1.11 -2.10 116.25 117.11 1qid h VAL 246 Ca 0.19 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 1qid h VAL 246 Cb 0.32 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1qid h VAL 246 CO -0.00 0.39 -0.31 -0.08 0.02 0.00 0.00 177.57 177.58 1qid h GLU 247 N 0.93 0.30 -0.25 1.57 4.57 -1.09 -1.17 114.58 119.45 1qid h GLU 247 Ca 0.18 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1qid h GLU 247 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1qid h GLU 247 CO 0.02 0.59 0.11 1.25 -1.18 0.00 0.00 179.01 179.80 1qid h LEU 248 N 0.27 0.34 -1.22 1.64 5.85 -0.77 -1.37 115.31 120.05 1qid h LEU 248 Ca 0.04 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1qid h LEU 248 Cb 0.69 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1qid h LEU 248 CO 0.05 0.40 0.54 1.23 -0.34 0.00 0.00 178.44 180.32 1qid h GLY 249 N 0.26 1.16 1.88 3.75 0.00 -0.94 -1.46 103.07 107.72 1qid h GLY 249 Ca 0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1qid h GLY 249 CO -0.01 0.35 -0.23 -0.09 0.00 0.00 0.00 176.54 176.57 1qid h ARG 250 N 1.02 0.15 0.00 4.80 2.43 -0.63 0.42 114.38 122.57 1qid h ARG 250 Ca 0.32 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1qid h ARG 250 Cb 0.02 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1qid h ARG 250 CO -0.09 0.37 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.71 1qid h ASN 251 N 0.13 0.00 -0.31 -3.80 2.35 -0.17 -3.03 115.58 110.76 1qid h ASN 251 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1qid h ASN 251 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1qid h ASN 251 CO 0.03 0.12 0.00 0.18 -1.65 0.00 0.00 177.43 176.12 1qid n LEU 252 N -3.21 4.01 -3.72 1.61 4.77 -0.88 -4.98 117.00 114.60 1qid n LEU 252 Ca 0.01 -2.89 -0.27 0.00 -0.03 0.00 0.00 56.01 52.83 1qid n LEU 252 Cb 0.44 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1qid n LEU 252 CO 0.32 0.68 -0.10 0.59 -1.33 0.00 0.00 177.39 177.55 1qid n ASN 253 N -0.25 -3.34 -4.95 -1.43 3.02 -0.89 -4.98 115.26 102.45 1qid n ASN 253 Ca 0.21 -0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 53.58 1qid n ASN 253 Cb 0.88 -3.58 -0.02 0.00 -0.61 0.00 0.00 39.78 36.45 1qid n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qid s ASN 255 N -3.79 6.89 -0.01 0.00 3.84 -1.26 -4.77 114.94 115.85 1qid s ASN 255 Ca 0.37 2.15 0.13 0.00 0.21 0.00 0.00 52.86 55.72 1qid s ASN 255 Cb -0.10 -2.57 0.38 0.00 -0.55 0.00 0.00 41.25 38.41 1qid s ASN 255 CO 0.31 -0.64 1.31 0.18 -2.79 0.00 0.00 177.10 175.47 1qid n LEU 256 N 4.65 3.16 0.19 3.21 4.77 -1.26 -3.29 117.00 128.43 1qid n LEU 256 Ca 0.12 -2.06 0.06 0.00 -0.03 0.00 0.00 56.01 54.10 1qid n LEU 256 Cb 0.44 -0.29 0.54 0.00 -2.33 0.00 0.00 43.42 41.78 1qid n LEU 256 CO 0.58 0.77 1.02 0.78 -1.33 0.00 0.00 177.39 179.21 1qid h ASN 257 N 2.39 0.10 -5.19 -1.43 2.35 -1.97 -3.45 115.58 108.39 1qid h ASN 257 Ca 0.00 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1qid h ASN 257 Cb 0.82 -0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.04 1qid h ASN 257 CO 0.02 0.15 -0.26 -0.94 -1.65 0.00 0.00 177.43 174.74 1qid s SER 258 N -6.97 -0.01 0.23 5.81 1.04 -1.26 -5.03 113.70 107.51 1qid s SER 258 Ca -0.05 -0.70 -0.07 0.00 0.48 0.00 0.00 55.95 55.60 1qid s SER 258 Cb 0.17 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.91 1qid s SER 258 CO 0.69 -0.86 1.82 0.44 0.98 0.00 0.00 173.24 176.31 1qid h ASP 259 N 2.54 1.13 -0.46 7.02 3.32 -1.95 -1.42 116.42 126.60 1qid h ASP 259 Ca -0.32 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 56.67 1qid h ASP 259 Cb 1.23 -0.29 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 1qid h ASP 259 CO 0.49 0.94 0.08 -0.33 -1.72 0.00 0.00 179.24 178.69 1qid h GLU 260 N 1.23 0.20 -0.16 3.56 3.07 -1.97 0.12 114.58 120.62 1qid h GLU 260 Ca 0.30 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.96 1qid h GLU 260 Cb 0.11 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1qid h GLU 260 CO -0.04 0.13 -0.67 0.93 -1.40 0.00 0.00 179.01 177.96 1qid h GLU 261 N 0.20 0.64 0.42 2.33 5.08 -1.79 -1.71 114.58 119.75 1qid h GLU 261 Ca 0.23 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1qid h GLU 261 Cb 0.30 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1qid h GLU 261 CO -0.31 1.09 -0.20 1.25 -1.00 0.00 0.00 179.01 179.84 1qid h LEU 262 N 0.46 -0.47 -0.61 1.33 5.85 -0.83 -0.26 115.31 120.78 1qid h LEU 262 Ca -0.02 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1qid h LEU 262 Cb 1.26 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1qid h LEU 262 CO 0.13 -0.22 0.33 0.40 -0.34 0.00 0.00 178.44 178.74 1qid h ILE 263 N -0.72 0.96 -0.69 4.05 2.04 -0.84 0.21 117.51 122.51 1qid h ILE 263 Ca -0.06 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1qid h ILE 263 Cb 0.51 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1qid h ILE 263 CO 0.09 0.11 0.42 -0.74 0.00 0.00 0.00 178.15 178.04 1qid h HIS 264 N 0.62 0.91 -0.70 1.37 2.76 -1.22 -0.75 115.15 118.14 1qid h HIS 264 Ca 0.27 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1qid h HIS 264 Cb 0.16 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 1qid h HIS 264 CO -0.09 0.61 0.19 0.00 -1.30 0.00 0.00 177.93 177.35 1qid h LEU 266 N 1.04 0.25 -0.64 0.00 3.38 -0.47 -2.82 115.31 116.06 1qid h LEU 266 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qid h LEU 266 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1qid h LEU 266 CO -0.00 0.70 0.00 0.03 0.09 0.00 0.00 178.44 179.26 1qid h ARG 267 N 0.19 0.00 0.00 1.13 3.08 -0.91 -2.69 114.38 115.17 1qid h ARG 267 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1qid h ARG 267 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1qid h ARG 267 CO 0.08 0.00 -0.42 0.39 -1.07 0.00 0.00 179.97 178.95 1qid n GLU 268 N -2.42 0.12 -2.79 0.04 -0.58 -1.06 -4.90 120.64 109.05 1qid n GLU 268 Ca 0.03 0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.45 1qid n GLU 268 Cb 0.30 -1.58 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 1qid n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qid s LYS 269 N -3.06 4.49 0.76 3.49 -0.14 -1.02 -5.04 119.74 119.21 1qid s LYS 269 Ca 0.10 1.27 -0.12 0.00 -1.36 0.00 0.00 55.97 55.87 1qid s LYS 269 Cb 0.16 -2.63 0.05 0.00 -1.68 0.00 0.00 37.83 33.73 1qid s LYS 269 CO 0.67 0.19 1.11 0.15 -0.76 0.00 0.00 175.35 176.71 1qid s LYS 270 N -2.35 2.25 0.14 1.68 1.02 -1.26 -4.93 119.74 116.29 1qid s LYS 270 Ca 0.53 1.30 -0.18 0.00 0.02 0.00 0.00 55.97 57.64 1qid s LYS 270 Cb -0.16 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1qid s LYS 270 CO 0.21 -1.66 1.72 -1.35 -0.92 0.00 0.00 175.35 173.35 1qid h PRO 271 N -0.88 0.13 -0.01 -1.68 0.11 -1.96 -2.50 132.00 125.21 1qid h PRO 271 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qid h PRO 271 Cb 1.24 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qid h PRO 271 CO 0.51 0.09 0.04 0.37 -0.21 0.00 0.00 178.00 178.79 1qid h GLN 272 N 0.13 0.00 -0.41 1.05 5.75 -1.99 -2.07 115.11 117.57 1qid h GLN 272 Ca 0.14 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.50 1qid h GLN 272 Cb 0.16 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1qid h GLN 272 CO -0.20 0.00 -0.29 0.93 -2.65 0.00 0.00 178.83 176.62 1qid h GLU 273 N 0.00 0.91 -0.21 1.69 5.08 -1.81 -0.60 114.58 119.64 1qid h GLU 273 Ca 0.01 -0.42 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 1qid h GLU 273 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1qid h GLU 273 CO -0.00 1.07 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.60 1qid h LEU 274 N 0.77 0.72 -1.19 1.33 4.07 -1.46 -3.23 115.31 116.32 1qid h LEU 274 Ca 0.08 -0.55 -0.04 0.00 0.08 0.00 0.00 57.88 57.46 1qid h LEU 274 Cb 0.86 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1qid h LEU 274 CO 0.08 1.14 0.16 0.40 -1.08 0.00 0.00 178.44 179.14 1qid h ILE 275 N 0.33 1.20 0.00 1.22 2.04 -1.37 -1.71 117.51 119.22 1qid h ILE 275 Ca 0.01 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1qid h ILE 275 Cb 1.02 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1qid h ILE 275 CO 0.09 0.25 0.00 0.44 0.00 0.00 0.00 178.15 178.93 1qid h ASP 276 N 0.72 0.00 0.00 1.72 3.32 -1.12 -3.07 116.42 117.98 1qid h ASP 276 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1qid h ASP 276 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1qid h ASP 276 CO -0.01 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.84 1qid n VAL 277 N -3.07 0.18 -0.26 -1.35 0.24 -1.06 -4.81 118.33 108.19 1qid n VAL 277 Ca -0.01 -0.51 0.04 0.00 -2.04 0.00 0.00 64.34 61.82 1qid n VAL 277 Cb 0.17 1.03 0.14 0.00 -1.47 0.00 0.00 33.84 33.71 1qid n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1qid h GLU 278 N 0.00 0.05 0.00 7.34 4.81 -1.22 -0.90 114.58 124.66 1qid h GLU 278 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qid h GLU 278 Cb 0.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1qid h GLU 278 CO 0.00 0.03 0.00 0.91 -0.73 0.00 0.00 179.01 179.22 1qid n TRP 279 N -5.42 0.00 1.36 0.92 7.02 -1.26 -3.29 117.44 116.76 1qid n TRP 279 Ca 0.13 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.75 1qid n TRP 279 Cb 0.45 -0.46 0.72 0.00 -2.42 0.00 0.00 31.31 29.60 1qid n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qid n ASN 280 N -1.46 0.00 -0.69 -0.99 3.02 -0.34 -3.67 115.26 111.14 1qid n ASN 280 Ca 0.05 -0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1qid n ASN 280 Cb 0.19 -0.26 0.20 0.00 -0.61 0.00 0.00 39.78 39.30 1qid n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1qid n VAL 281 N -1.26 0.00 -1.86 2.41 0.24 -1.21 -4.94 118.33 111.71 1qid n VAL 281 Ca 0.14 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 1qid n VAL 281 Cb 0.21 1.12 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 1qid n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1qid s LEU 282 N -2.15 4.35 0.27 1.34 1.43 -1.24 -4.81 118.68 117.86 1qid s LEU 282 Ca 0.28 2.95 0.07 0.00 -1.03 0.00 0.00 54.13 56.40 1qid s LEU 282 Cb 0.20 -3.66 0.35 0.00 0.03 0.00 0.00 46.19 43.12 1qid s LEU 282 CO 0.39 -0.82 1.62 1.55 0.23 0.00 0.00 176.35 179.32 1qid h PRO 283 N 3.57 0.14 -5.68 1.29 0.13 -1.95 -3.46 132.00 126.03 1qid h PRO 283 Ca -0.49 -0.09 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 1qid h PRO 283 Cb 1.23 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1qid h PRO 283 CO 0.68 0.66 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.34 1qid s PHE 284 N -3.80 1.96 -0.31 1.56 0.08 -1.26 -5.07 117.98 111.13 1qid s PHE 284 Ca -0.03 -0.58 -0.29 0.00 0.12 0.00 0.00 56.93 56.15 1qid s PHE 284 Cb 0.13 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1qid s PHE 284 CO 0.78 0.41 1.33 0.34 -0.10 0.00 0.00 175.22 177.97 1qid s ASP 285 N -3.42 6.62 0.32 1.36 -1.08 -1.26 -4.93 116.67 114.27 1qid s ASP 285 Ca 0.27 1.17 -0.11 0.00 -0.52 0.00 0.00 52.55 53.36 1qid s ASP 285 Cb 0.01 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1qid s ASP 285 CO 0.11 -1.13 0.59 -0.94 0.52 0.00 0.00 175.17 174.31 1qid s SER 286 N 3.00 0.25 0.10 -0.34 1.04 -1.26 -4.66 113.70 111.82 1qid s SER 286 Ca 0.57 -1.14 0.07 0.00 0.48 0.00 0.00 55.95 55.94 1qid s SER 286 Cb -0.17 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1qid s SER 286 CO 0.25 -1.36 -0.19 -0.51 0.98 0.00 0.00 173.24 172.40 1qid s ILE 287 N -3.22 1.54 -1.48 -1.02 2.07 -0.96 -4.78 121.20 113.34 1qid s ILE 287 Ca 0.22 -1.50 -0.07 0.00 -1.41 0.00 0.00 60.65 57.90 1qid s ILE 287 Cb -0.02 -1.43 0.02 0.00 0.13 0.00 0.00 42.46 41.16 1qid s ILE 287 CO 0.13 -0.13 0.67 0.33 -1.91 0.00 0.00 174.94 174.03 1qid n PHE 288 N 1.09 -2.06 -4.39 3.50 -0.00 -1.26 -4.81 117.46 109.54 1qid n PHE 288 Ca -0.20 0.59 -0.22 0.00 -0.00 0.00 0.00 57.45 57.63 1qid n PHE 288 Cb 0.54 -4.23 -0.16 0.00 -0.00 0.00 0.00 39.48 35.63 1qid n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1qid s ARG 289 N -5.88 1.16 0.06 -4.13 1.81 -1.26 -4.67 118.95 106.03 1qid s ARG 289 Ca 0.37 -0.28 0.09 0.00 -1.72 0.00 0.00 55.73 54.20 1qid s ARG 289 Cb -0.17 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.25 1qid s ARG 289 CO 0.46 0.02 -0.26 -0.06 -0.68 0.00 0.00 175.30 174.79 1qid s PHE 290 N 0.57 2.25 0.06 -0.53 0.08 -1.26 -5.05 117.98 114.09 1qid s PHE 290 Ca -0.10 -0.40 -0.34 0.00 0.12 0.00 0.00 56.93 56.21 1qid s PHE 290 Cb -0.13 -1.33 -0.18 0.00 -0.57 0.00 0.00 43.02 40.81 1qid s PHE 290 CO 0.01 0.15 1.51 0.77 -0.10 0.00 0.00 175.22 177.56 1qid h SER 291 N 4.69 -1.07 -3.50 1.36 0.02 -1.91 -3.41 113.55 109.73 1qid h SER 291 Ca -0.46 0.04 -0.71 0.00 -0.84 0.00 0.00 61.79 59.82 1qid h SER 291 Cb 1.15 0.29 -0.29 0.00 0.14 0.00 0.00 62.40 63.68 1qid h SER 291 CO 0.43 -0.72 -0.51 -0.36 -1.14 0.00 0.00 176.83 174.53 1qid s PHE 292 N -5.65 3.37 0.33 3.45 0.08 -1.26 -5.01 117.98 113.29 1qid s PHE 292 Ca -0.18 -1.69 0.03 0.00 0.12 0.00 0.00 56.93 55.21 1qid s PHE 292 Cb 0.02 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1qid s PHE 292 CO 0.54 -0.85 0.11 0.14 -0.10 0.00 0.00 175.22 175.05 1qid s VAL 293 N 1.36 0.71 0.67 -0.44 -7.23 -1.26 -4.45 120.40 109.76 1qid s VAL 293 Ca 0.03 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1qid s VAL 293 Cb -0.22 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1qid s VAL 293 CO 0.01 0.00 0.83 -2.65 -0.31 0.00 0.00 175.10 172.97 1qid n PRO 294 N -0.68 0.58 -4.88 4.82 -0.02 -1.22 -4.70 135.00 128.90 1qid n PRO 294 Ca -0.02 0.24 -0.26 0.00 -2.02 0.00 0.00 63.50 61.44 1qid n PRO 294 Cb 0.66 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 1qid n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qid s VAL 295 N -1.73 1.46 -0.81 -1.45 0.11 -1.26 -1.33 120.40 115.39 1qid s VAL 295 Ca 0.72 -0.77 -0.25 0.00 -2.93 0.00 0.00 61.98 58.75 1qid s VAL 295 Cb -0.38 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1qid s VAL 295 CO 0.51 0.42 1.81 -0.63 -3.33 0.00 0.00 175.10 173.88 1qid s ILE 296 N -0.25 3.49 -1.04 7.04 -1.09 -0.88 -4.77 121.20 123.69 1qid s ILE 296 Ca 0.03 -0.18 0.22 0.00 -2.23 0.00 0.00 60.65 58.49 1qid s ILE 296 Cb -0.09 -4.18 -0.15 0.00 -1.58 0.00 0.00 42.46 36.46 1qid s ILE 296 CO 0.00 -1.12 1.06 -0.90 -1.23 0.00 0.00 174.94 172.76 1qid n ASP 297 N 12.64 0.89 0.00 3.58 5.75 -1.26 -4.20 116.55 133.96 1qid n ASP 297 Ca 0.30 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 1qid n ASP 297 Cb 0.49 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 1qid n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qid n GLY 298 N 1.50 0.88 0.56 6.12 0.00 -0.33 -4.84 105.19 109.07 1qid n GLY 298 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qid n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qid n GLU 299 N -2.10 0.00 -0.26 1.61 1.02 -1.26 -4.45 120.64 115.19 1qid n GLU 299 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1qid n GLU 299 Cb 0.00 -0.02 0.18 0.00 -0.02 0.00 0.00 31.44 31.58 1qid n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1qid h PHE 300 N 0.00 1.06 -3.72 -0.32 3.04 -1.92 -3.33 116.94 111.75 1qid h PHE 300 Ca 0.00 0.00 -0.68 0.00 3.98 0.00 0.00 57.97 61.28 1qid h PHE 300 Cb 0.00 -0.35 -0.36 0.00 2.56 0.00 0.00 35.95 37.80 1qid h PHE 300 CO 0.00 0.70 -0.70 -0.06 -2.02 0.00 0.00 178.31 176.23 1qid s PHE 301 N -5.84 3.44 0.19 0.41 0.08 -1.26 -4.33 117.98 110.67 1qid s PHE 301 Ca -0.12 -2.35 -0.15 0.00 0.12 0.00 0.00 56.93 54.43 1qid s PHE 301 Cb 0.17 -2.46 0.18 0.00 -0.57 0.00 0.00 43.02 40.35 1qid s PHE 301 CO 0.80 -0.89 1.64 -1.35 -0.10 0.00 0.00 175.22 175.32 1qid h PRO 302 N 7.86 -0.01 0.00 0.24 0.11 -1.78 -0.87 132.00 137.55 1qid h PRO 302 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1qid h PRO 302 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1qid h PRO 302 CO 0.54 -0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.57 1qid n THR 303 N -5.39 0.00 -1.80 -1.15 -2.24 -1.26 -4.39 114.28 98.04 1qid n THR 303 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 1qid n THR 303 Cb 0.30 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.58 1qid n THR 303 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qid s SER 304 N -0.10 4.78 0.25 3.42 1.04 -1.26 -4.85 113.70 116.98 1qid s SER 304 Ca 0.00 2.59 -0.06 0.00 0.48 0.00 0.00 55.95 58.96 1qid s SER 304 Cb 0.00 -2.62 0.27 0.00 0.10 0.00 0.00 66.02 63.77 1qid s SER 304 CO 0.00 -1.88 1.93 -0.07 0.98 0.00 0.00 173.24 174.19 1qid h LEU 305 N 0.70 1.15 -0.81 2.42 3.38 -1.99 -2.07 115.31 118.09 1qid h LEU 305 Ca -0.51 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1qid h LEU 305 Cb 1.33 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1qid h LEU 305 CO 0.54 0.83 0.35 -0.08 0.09 0.00 0.00 178.44 180.17 1qid h GLU 306 N 1.36 1.20 -0.16 1.13 4.57 -1.99 0.16 114.58 120.84 1qid h GLU 306 Ca 0.37 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1qid h GLU 306 Cb -0.15 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.23 1qid h GLU 306 CO -0.08 0.96 -0.47 0.66 -1.18 0.00 0.00 179.01 178.89 1qid h SER 307 N 1.17 0.45 -0.23 1.04 4.64 -1.86 -1.30 113.55 117.46 1qid h SER 307 Ca 0.27 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1qid h SER 307 Cb 0.19 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1qid h SER 307 CO -0.03 0.85 0.03 0.24 -0.87 0.00 0.00 176.83 177.06 1qid h MET 308 N 0.33 0.40 -0.38 4.77 2.86 -0.85 -1.63 114.93 120.43 1qid h MET 308 Ca 0.02 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1qid h MET 308 Cb 0.95 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1qid h MET 308 CO 0.08 0.54 0.03 -0.07 1.06 0.00 0.00 176.91 178.56 1qid h LEU 309 N 0.19 0.54 -0.48 1.22 3.38 -0.86 -1.01 115.31 118.29 1qid h LEU 309 Ca 0.07 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1qid h LEU 309 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1qid h LEU 309 CO 0.01 0.59 -0.57 0.78 0.09 0.00 0.00 178.44 179.34 1qid h ASN 310 N 0.56 0.65 -0.09 -0.43 2.35 -1.03 -3.23 115.58 114.36 1qid h ASN 310 Ca 0.12 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1qid h ASN 310 Cb 0.31 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1qid h ASN 310 CO 0.01 1.08 0.00 -1.54 -1.65 0.00 0.00 177.43 175.32 1qid n SER 311 N -3.95 2.05 -0.58 5.81 3.41 -0.63 -4.93 113.62 114.79 1qid n SER 311 Ca -0.03 -1.70 -0.07 0.00 -0.26 0.00 0.00 58.87 56.81 1qid n SER 311 Cb 0.62 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1qid n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qid n GLY 312 N 1.24 0.62 3.33 5.00 0.00 -0.95 -4.93 105.19 109.50 1qid n GLY 312 Ca 0.17 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1qid n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qid n ASN 313 N 0.88 4.77 -3.63 1.61 5.15 -0.42 -4.84 115.26 118.78 1qid n ASN 313 Ca -0.07 -2.92 -0.03 0.00 -0.60 0.00 0.00 54.58 50.95 1qid n ASN 313 Cb 0.33 -1.68 -0.01 0.00 -0.53 0.00 0.00 39.78 37.88 1qid n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1qid s PHE 314 N 3.33 -0.16 0.17 1.20 -0.12 -1.26 -4.73 117.98 116.42 1qid s PHE 314 Ca 0.50 -0.01 -0.31 0.00 -0.05 0.00 0.00 56.93 57.05 1qid s PHE 314 Cb 0.05 0.57 -0.10 0.00 -0.63 0.00 0.00 43.02 42.91 1qid s PHE 314 CO 0.03 -0.51 1.55 0.21 -0.05 0.00 0.00 175.22 176.45 1qid s LYS 315 N -2.87 4.22 -0.33 1.99 2.20 0.18 -4.97 119.74 120.17 1qid s LYS 315 Ca 0.10 2.35 -0.10 0.00 -0.36 0.00 0.00 55.97 57.96 1qid s LYS 315 Cb 0.00 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1qid s LYS 315 CO -0.03 -0.58 0.17 0.15 -0.36 0.00 0.00 175.35 174.70 1qid s LYS 316 N 0.99 3.25 0.00 4.03 1.02 -1.26 -4.97 119.74 122.80 1qid s LYS 316 Ca 0.69 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1qid s LYS 316 Cb -0.43 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 1qid s LYS 316 CO 0.32 -0.48 0.00 -2.37 -0.92 0.00 0.00 175.35 171.91 1qid n THR 317 N 5.00 0.00 -3.82 2.17 5.66 -1.26 -4.80 114.28 117.23 1qid n THR 317 Ca -0.13 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.53 1qid n THR 317 Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.21 1qid n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qid s GLN 318 N 1.02 3.52 0.05 1.09 1.11 -1.26 -1.42 119.66 123.77 1qid s GLN 318 Ca 0.00 -0.17 0.03 0.00 0.01 0.00 0.00 55.36 55.23 1qid s GLN 318 Cb 0.00 -3.08 -0.02 0.00 -1.01 0.00 0.00 33.01 28.89 1qid s GLN 318 CO 0.00 0.66 -0.09 0.96 0.01 0.00 0.00 175.29 176.82 1qid s ILE 319 N -1.31 0.69 -0.08 1.08 -4.36 0.19 -3.03 121.20 114.38 1qid s ILE 319 Ca 0.27 -1.11 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 1qid s ILE 319 Cb -0.13 -0.72 0.02 0.00 1.25 0.00 0.00 42.46 42.88 1qid s ILE 319 CO 0.17 -0.32 -0.09 -0.22 0.24 0.00 0.00 174.94 174.72 1qid s LEU 320 N -1.56 1.43 0.24 0.37 0.20 -0.62 -1.66 118.68 117.07 1qid s LEU 320 Ca -0.07 -0.27 -0.17 0.00 0.69 0.00 0.00 54.13 54.31 1qid s LEU 320 Cb -0.10 -0.76 0.01 0.00 -0.43 0.00 0.00 46.19 44.92 1qid s LEU 320 CO 0.01 -0.03 0.56 -1.48 -0.29 0.00 0.00 176.35 175.12 1qid s LEU 321 N 1.04 0.07 0.00 -0.68 2.34 -0.33 -0.90 118.68 120.22 1qid s LEU 321 Ca -0.08 -0.67 0.00 0.00 0.06 0.00 0.00 54.13 53.44 1qid s LEU 321 Cb -0.15 2.17 0.00 0.00 -0.56 0.00 0.00 46.19 47.65 1qid s LEU 321 CO -0.01 -1.16 0.00 0.61 -1.06 0.00 0.00 176.35 174.73 1qid n GLY 322 N -0.39 -1.19 3.26 -3.48 0.00 -0.88 -1.45 105.19 101.06 1qid n GLY 322 Ca -0.05 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1qid n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qid s VAL 323 N -2.50 0.13 0.13 1.61 -7.23 -1.06 -0.74 120.40 110.74 1qid s VAL 323 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1qid s VAL 323 Cb 0.00 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1qid s VAL 323 CO 0.00 0.00 0.18 0.20 -0.31 0.00 0.00 175.10 175.17 1qid s ASN 324 N -3.26 5.87 0.25 4.85 0.01 -1.26 -0.19 114.94 121.20 1qid s ASN 324 Ca 0.38 0.03 -0.05 0.00 -0.71 0.00 0.00 52.86 52.52 1qid s ASN 324 Cb 0.06 -1.65 0.33 0.00 0.41 0.00 0.00 41.25 40.40 1qid s ASN 324 CO 0.16 0.09 1.86 0.50 -1.51 0.00 0.00 177.10 178.21 1qid h LYS 325 N 2.57 1.01 -2.22 -0.60 3.64 -1.34 -3.31 116.57 116.32 1qid h LYS 325 Ca -0.47 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.26 1qid h LYS 325 Cb 1.19 -0.23 -0.42 0.00 -0.41 0.00 0.00 32.23 32.36 1qid h LYS 325 CO 0.67 0.67 -0.70 -0.25 -2.27 0.00 0.00 179.45 177.57 1qid n ASP 326 N -4.58 3.74 -0.03 4.20 8.00 -0.53 -4.91 116.55 122.45 1qid n ASP 326 Ca 0.13 -3.51 0.10 0.00 0.71 0.00 0.00 54.79 52.21 1qid n ASP 326 Cb 0.16 -0.60 0.49 0.00 -0.02 0.00 0.00 41.12 41.15 1qid n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qid h GLU 327 N 3.36 0.40 0.00 -1.24 4.39 -1.72 -3.21 114.58 116.56 1qid h GLU 327 Ca 0.14 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1qid h GLU 327 Cb 0.61 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1qid h GLU 327 CO 0.78 0.26 -0.23 0.78 -1.16 0.00 0.00 179.01 179.44 1qid h GLY 328 N 0.41 0.00 0.01 -3.84 0.00 -1.85 -3.39 103.07 94.41 1qid h GLY 328 Ca 0.22 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.77 1qid h GLY 328 CO -0.06 0.00 0.61 1.48 0.00 0.00 0.00 176.54 178.57 1qid h SER 329 N 0.00 0.70 -0.43 0.19 4.64 -1.80 -2.15 113.55 114.71 1qid h SER 329 Ca -0.00 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1qid h SER 329 Cb 1.15 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 1qid h SER 329 CO 0.03 0.19 0.26 0.15 -0.87 0.00 0.00 176.83 176.59 1qid h PHE 330 N 0.65 0.49 0.00 4.77 3.04 -1.83 -1.53 116.94 122.53 1qid h PHE 330 Ca 0.60 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.47 1qid h PHE 330 Cb 1.09 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1qid h PHE 330 CO -0.00 0.29 -0.45 0.74 -2.02 0.00 0.00 178.31 176.86 1qid h PHE 331 N 0.53 0.00 0.03 0.41 -1.00 -1.67 -2.57 116.94 112.66 1qid h PHE 331 Ca 0.17 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.68 1qid h PHE 331 Cb -0.01 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.58 1qid h PHE 331 CO -0.07 0.45 -1.07 -0.07 -1.61 0.00 0.00 178.31 175.95 1qid h LEU 332 N 0.00 0.89 -0.60 1.54 3.38 -1.30 -2.31 115.31 116.90 1qid h LEU 332 Ca -0.00 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.24 1qid h LEU 332 Cb 0.90 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1qid h LEU 332 CO 0.06 1.54 0.36 0.25 0.09 0.00 0.00 178.44 180.74 1qid h LEU 333 N 0.34 0.56 -0.23 1.67 5.85 -1.14 -0.85 115.31 121.51 1qid h LEU 333 Ca -0.14 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1qid h LEU 333 Cb 1.73 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1qid h LEU 333 CO 0.21 0.39 -0.60 1.88 -0.34 0.00 0.00 178.44 179.97 1qid h TYR 334 N 0.69 0.00 0.00 1.25 -1.99 -1.49 -3.42 116.97 112.01 1qid h TYR 334 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1qid h TYR 334 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1qid h TYR 334 CO -0.07 0.60 0.00 0.41 -0.00 0.00 0.00 178.16 179.11 1qid n GLY 335 N 1.01 -1.05 3.61 3.88 0.00 -0.87 -5.09 105.19 106.69 1qid n GLY 335 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1qid n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qid s ALA 336 N -0.03 3.17 0.35 4.61 0.00 -0.34 -4.98 121.76 124.54 1qid s ALA 336 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 1qid s ALA 336 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 1qid s ALA 336 CO 0.00 0.46 1.54 -1.25 0.00 0.00 0.00 175.76 176.51 1qid s PRO 337 N -0.45 4.10 0.00 0.00 0.04 -1.26 -2.90 135.00 134.52 1qid s PRO 337 Ca 0.08 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1qid s PRO 337 Cb -0.12 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1qid s PRO 337 CO 0.02 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1qid n GLY 338 N 1.14 3.40 3.79 0.56 0.00 -1.26 -4.87 105.19 107.95 1qid n GLY 338 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1qid n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qid s PHE 339 N -2.95 3.58 0.01 1.61 0.40 -1.14 -4.63 117.98 114.86 1qid s PHE 339 Ca 0.00 0.73 -0.01 0.00 -0.60 0.00 0.00 56.93 57.05 1qid s PHE 339 Cb 0.00 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 1qid s PHE 339 CO 0.00 0.46 0.01 -1.12 0.70 0.00 0.00 175.22 175.27 1qid s SER 340 N -0.31 0.15 0.26 1.36 0.01 -1.26 -4.88 113.70 109.04 1qid s SER 340 Ca 0.19 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 1qid s SER 340 Cb -0.14 0.11 0.33 0.00 0.21 0.00 0.00 66.02 66.53 1qid s SER 340 CO 0.07 -0.26 1.75 0.50 0.41 0.00 0.00 173.24 175.71 1qid h LYS 341 N 4.84 0.76 -0.66 12.44 3.64 -1.98 -3.19 116.57 132.42 1qid h LYS 341 Ca -0.30 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1qid h LYS 341 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1qid h LYS 341 CO 0.42 0.80 0.00 -0.25 -2.27 0.00 0.00 179.45 178.15 1qid n ASP 342 N -4.20 4.46 -4.46 4.20 8.00 -1.26 -4.45 116.55 118.85 1qid n ASP 342 Ca 0.02 -2.37 -0.22 0.00 0.71 0.00 0.00 54.79 52.93 1qid n ASP 342 Cb 0.32 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 1qid n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qid s SER 343 N -0.89 2.57 0.10 -2.24 1.04 -1.21 -5.01 113.70 108.07 1qid s SER 343 Ca 0.49 -1.34 0.21 0.00 0.48 0.00 0.00 55.95 55.79 1qid s SER 343 Cb 0.31 -0.13 0.86 0.00 0.10 0.00 0.00 66.02 67.16 1qid s SER 343 CO 0.25 -0.54 1.66 -0.62 0.98 0.00 0.00 173.24 174.97 1qid n GLU 344 N -0.68 0.09 -3.68 4.02 1.02 -1.26 -4.74 120.64 115.41 1qid n GLU 344 Ca -0.03 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 1qid n GLU 344 Cb 0.66 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1qid n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qid n SER 345 N -1.80 -2.30 -4.71 1.62 7.64 -1.26 -4.86 113.62 107.94 1qid n SER 345 Ca 0.04 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 1qid n SER 345 Cb 0.25 -4.31 -0.03 0.00 -1.01 0.00 0.00 64.21 59.12 1qid n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qid s LYS 346 N -5.99 4.36 -0.14 1.43 1.02 -1.26 -4.69 119.74 114.47 1qid s LYS 346 Ca 0.15 1.92 -0.06 0.00 0.02 0.00 0.00 55.97 58.00 1qid s LYS 346 Cb -0.07 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1qid s LYS 346 CO 0.79 -0.38 0.08 0.42 -0.92 0.00 0.00 175.35 175.34 1qid s ILE 347 N 1.32 4.98 0.87 2.17 -1.09 -0.70 -4.96 121.20 123.79 1qid s ILE 347 Ca 0.62 0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.92 1qid s ILE 347 Cb -0.33 -3.19 0.12 0.00 -1.58 0.00 0.00 42.46 37.49 1qid s ILE 347 CO 0.29 0.55 1.23 -0.94 -1.23 0.00 0.00 174.94 174.83 1qid s SER 348 N -0.42 3.96 0.20 3.58 1.04 -1.26 -4.15 113.70 116.65 1qid s SER 348 Ca 0.10 0.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 1qid s SER 348 Cb -0.12 -0.95 0.11 0.00 0.10 0.00 0.00 66.02 65.16 1qid s SER 348 CO 0.02 -2.23 1.69 0.03 0.98 0.00 0.00 173.24 173.73 1qid h ARG 349 N -1.29 1.12 0.24 4.02 2.47 -1.93 -1.05 114.38 117.96 1qid h ARG 349 Ca -0.46 -0.30 -0.00 0.00 -1.26 0.00 0.00 59.98 57.96 1qid h ARG 349 Cb 1.30 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 1qid h ARG 349 CO 0.56 1.02 -0.42 0.93 0.56 0.00 0.00 179.97 182.62 1qid h GLU 350 N 1.04 -0.68 0.00 0.04 4.39 -1.98 -1.81 114.58 115.58 1qid h GLU 350 Ca 0.20 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1qid h GLU 350 Cb 0.45 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1qid h GLU 350 CO 0.01 -0.46 -0.11 -0.44 -1.16 0.00 0.00 179.01 176.86 1qid h ASP 351 N -0.71 0.00 0.20 1.42 3.32 -1.88 -2.08 116.42 116.69 1qid h ASP 351 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1qid h ASP 351 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qid h ASP 351 CO -0.15 0.11 -0.10 0.15 -1.72 0.00 0.00 179.24 177.53 1qid h PHE 352 N 0.00 -0.25 0.00 4.55 3.57 -0.53 0.18 116.94 124.46 1qid h PHE 352 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1qid h PHE 352 Cb 0.27 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1qid h PHE 352 CO 0.00 0.01 -0.22 0.52 -2.23 0.00 0.00 178.31 176.39 1qid h MET 353 N -0.48 0.00 -0.34 1.11 2.86 -1.09 -0.39 114.93 116.61 1qid h MET 353 Ca -0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 1qid h MET 353 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1qid h MET 353 CO 0.04 0.22 -0.34 0.77 1.06 0.00 0.00 176.91 178.67 1qid h SER 354 N 0.00 0.88 -0.32 1.22 0.02 -1.09 -2.65 113.55 111.61 1qid h SER 354 Ca -0.00 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 1qid h SER 354 Cb 0.51 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1qid h SER 354 CO 0.03 1.17 -0.05 1.23 -1.14 0.00 0.00 176.83 178.07 1qid h GLY 355 N 0.60 0.77 0.99 -3.77 0.00 0.20 -2.43 103.07 99.43 1qid h GLY 355 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1qid h GLY 355 CO 0.08 0.49 0.25 -2.08 0.00 0.00 0.00 176.54 175.28 1qid h VAL 356 N 0.66 1.22 -0.86 4.60 2.07 -0.98 -0.08 116.25 122.88 1qid h VAL 356 Ca 0.12 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1qid h VAL 356 Cb 0.48 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1qid h VAL 356 CO 0.02 0.26 0.42 0.50 0.02 0.00 0.00 177.57 178.79 1qid h LYS 357 N 0.79 1.23 -0.17 1.57 1.63 -1.28 -1.54 116.57 118.79 1qid h LYS 357 Ca 0.19 -0.18 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 1qid h LYS 357 Cb 0.17 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1qid h LYS 357 CO -0.02 0.94 -0.48 -0.07 -3.45 0.00 0.00 179.45 176.37 1qid h LEU 358 N 1.22 0.49 -0.36 5.20 4.07 -1.13 -3.12 115.31 121.68 1qid h LEU 358 Ca 0.29 -0.24 -0.18 0.00 0.08 0.00 0.00 57.88 57.83 1qid h LEU 358 Cb 0.11 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1qid h LEU 358 CO -0.04 0.90 -0.82 0.28 -1.08 0.00 0.00 178.44 177.68 1qid h SER 359 N 0.36 0.13 -2.15 -0.43 0.02 -0.57 -2.56 113.55 108.36 1qid h SER 359 Ca 0.02 -0.10 -0.58 0.00 -0.84 0.00 0.00 61.79 60.28 1qid h SER 359 Cb 0.98 -0.04 -0.41 0.00 0.14 0.00 0.00 62.40 63.07 1qid h SER 359 CO 0.09 0.89 -0.76 0.52 -1.14 0.00 0.00 176.83 176.43 1qid n VAL 360 N -3.64 1.58 -0.16 2.27 0.31 -0.62 -4.89 118.33 113.19 1qid n VAL 360 Ca -0.02 -4.95 0.18 0.00 -0.01 0.00 0.00 64.34 59.54 1qid n VAL 360 Cb 0.78 -1.86 0.55 0.00 -0.91 0.00 0.00 33.84 32.40 1qid n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qid h PRO 361 N 3.89 0.32 0.00 5.55 0.13 -1.69 -2.05 132.00 138.15 1qid h PRO 361 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1qid h PRO 361 Cb 0.71 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1qid h PRO 361 CO 0.72 0.21 0.00 -2.39 -0.23 0.00 0.00 178.00 176.31 1qid n HIS 362 N -4.46 0.00 -2.97 1.56 1.44 -1.26 -4.90 115.22 104.63 1qid n HIS 362 Ca 0.15 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.46 1qid n HIS 362 Cb 0.60 -0.22 -0.06 0.00 0.12 0.00 0.00 29.99 30.44 1qid n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qid s ALA 363 N -2.44 3.41 0.96 1.59 0.00 -0.77 -5.08 121.76 119.43 1qid s ALA 363 Ca 0.32 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 1qid s ALA 363 Cb 0.20 -2.99 0.19 0.00 0.00 0.00 0.00 23.12 20.52 1qid s ALA 363 CO 0.43 0.18 1.25 0.54 0.00 0.00 0.00 175.76 178.17 1qid s ASN 364 N -0.63 3.09 0.27 0.00 2.20 -1.26 -4.70 114.94 113.91 1qid s ASN 364 Ca 0.37 0.47 -0.01 0.00 -0.94 0.00 0.00 52.86 52.75 1qid s ASN 364 Cb -0.22 -0.66 0.50 0.00 -2.00 0.00 0.00 41.25 38.87 1qid s ASN 364 CO 0.25 -2.76 1.81 0.44 -2.94 0.00 0.00 177.10 173.89 1qid h ASP 365 N -1.66 0.74 -0.84 3.54 5.19 -1.99 -0.25 116.42 121.15 1qid h ASP 365 Ca -0.45 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 1qid h ASP 365 Cb 1.27 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 1qid h ASP 365 CO 0.44 0.38 0.43 0.25 -3.12 0.00 0.00 179.24 177.63 1qid h LEU 366 N 0.83 1.08 -0.24 1.55 5.85 -1.99 -0.94 115.31 121.45 1qid h LEU 366 Ca 0.46 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1qid h LEU 366 Cb 0.50 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1qid h LEU 366 CO -0.29 0.89 0.08 1.23 -0.34 0.00 0.00 178.44 180.01 1qid h GLY 367 N 1.21 0.39 0.82 3.75 0.00 -1.44 -0.65 103.07 107.15 1qid h GLY 367 Ca 0.29 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1qid h GLY 367 CO -0.04 0.21 0.44 1.41 0.00 0.00 0.00 176.54 178.56 1qid h LEU 368 N 0.22 0.71 -0.71 3.11 3.38 -0.88 -1.39 115.31 119.75 1qid h LEU 368 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qid h LEU 368 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1qid h LEU 368 CO -0.00 0.48 0.35 0.44 0.09 0.00 0.00 178.44 179.80 1qid h ASP 369 N 0.85 0.92 -0.34 -0.43 3.32 -0.91 -1.20 116.42 118.63 1qid h ASP 369 Ca 0.30 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1qid h ASP 369 Cb 0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1qid h ASP 369 CO -0.13 0.79 0.20 0.00 -1.72 0.00 0.00 179.24 178.39 1qid h ALA 370 N 1.17 0.43 0.33 3.45 0.00 -0.28 -0.70 119.26 123.66 1qid h ALA 370 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qid h ALA 370 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1qid h ALA 370 CO -0.03 -0.15 -0.16 0.28 0.00 0.00 0.00 179.25 179.19 1qid h VAL 371 N 0.42 0.68 -0.65 0.00 2.07 -1.03 -1.46 116.25 116.28 1qid h VAL 371 Ca 0.13 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1qid h VAL 371 Cb -0.01 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 1qid h VAL 371 CO -0.05 0.02 0.18 0.74 0.02 0.00 0.00 177.57 178.47 1qid h THR 372 N -0.49 0.64 -0.58 2.57 2.02 -1.04 -0.91 112.91 115.14 1qid h THR 372 Ca -0.05 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1qid h THR 372 Cb 0.37 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1qid h THR 372 CO 0.08 0.06 0.13 0.25 0.37 0.00 0.00 175.52 176.40 1qid h LEU 373 N 0.31 0.88 -1.84 2.58 5.85 -0.99 -2.01 115.31 120.10 1qid h LEU 373 Ca 0.34 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1qid h LEU 373 Cb 0.51 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1qid h LEU 373 CO -0.40 0.89 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.96 1qid h GLN 374 N 0.83 0.07 -0.30 1.25 5.75 -0.09 -3.01 115.11 119.61 1qid h GLN 374 Ca 0.18 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1qid h GLN 374 Cb 0.36 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1qid h GLN 374 CO 0.00 0.10 0.00 0.66 -2.65 0.00 0.00 178.83 176.95 1qid n TYR 375 N -4.47 0.58 -4.50 3.99 4.02 -0.70 -4.99 117.16 111.09 1qid n TYR 375 Ca -0.02 -0.62 -0.34 0.00 -0.01 0.00 0.00 57.90 56.91 1qid n TYR 375 Cb 0.13 -0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.22 1qid n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1qid s THR 376 N -1.59 3.85 -0.55 -0.72 2.01 -0.77 -4.82 115.64 113.05 1qid s THR 376 Ca 0.28 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 1qid s THR 376 Cb 0.18 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 70.17 1qid s THR 376 CO 0.13 0.55 0.59 -0.62 -0.69 0.00 0.00 174.62 174.57 1qid s ASP 377 N -0.25 6.19 0.00 3.53 -1.08 -1.26 -4.93 116.67 118.87 1qid s ASP 377 Ca 0.04 -1.52 0.14 0.00 -0.52 0.00 0.00 52.55 50.69 1qid s ASP 377 Cb -0.13 -2.25 0.72 0.00 -1.46 0.00 0.00 42.92 39.80 1qid s ASP 377 CO 0.02 -0.95 1.38 0.79 0.52 0.00 0.00 175.17 176.93 1qid n TRP 378 N 5.78 0.00 1.33 -5.34 7.02 -1.26 -1.42 117.44 123.54 1qid n TRP 378 Ca -0.11 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.50 1qid n TRP 378 Cb 0.42 -0.27 0.43 0.00 -2.42 0.00 0.00 31.31 29.47 1qid n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1qid n MET 379 N -1.27 1.06 -2.70 -0.99 2.81 -1.26 -4.40 117.12 110.37 1qid n MET 379 Ca 0.07 -0.61 -0.07 0.00 -1.81 0.00 0.00 57.70 55.28 1qid n MET 379 Cb 0.11 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.23 1qid n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1qid n ASP 380 N -0.44 -1.83 0.24 7.83 2.03 -0.51 -5.02 116.55 118.86 1qid n ASP 380 Ca 0.14 -2.41 0.17 0.00 0.52 0.00 0.00 54.79 53.21 1qid n ASP 380 Cb 0.35 1.06 0.79 0.00 -0.72 0.00 0.00 41.12 42.59 1qid n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1qid h ASP 381 N 1.94 0.00 -0.60 1.67 2.03 -1.57 -2.71 116.42 117.19 1qid h ASP 381 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1qid h ASP 381 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1qid h ASP 381 CO -0.08 0.00 0.00 0.59 -1.03 0.00 0.00 179.24 178.72 1qid n ASN 382 N -2.76 5.48 -4.60 4.15 3.02 -1.26 -4.69 115.26 114.60 1qid n ASN 382 Ca -0.01 -2.81 -0.43 0.00 -0.03 0.00 0.00 54.58 51.31 1qid n ASN 382 Cb 0.17 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 1qid n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qid s ASN 383 N -0.84 6.58 0.29 6.41 3.04 -1.02 -4.90 114.94 124.49 1qid s ASN 383 Ca 0.54 0.50 -0.00 0.00 0.04 0.00 0.00 52.86 53.94 1qid s ASN 383 Cb 0.39 -2.55 0.49 0.00 -1.54 0.00 0.00 41.25 38.04 1qid s ASN 383 CO 0.18 -1.30 1.91 1.23 -3.04 0.00 0.00 177.10 176.09 1qid h GLY 384 N 11.42 1.36 1.15 1.21 0.00 -1.90 -1.12 103.07 115.18 1qid h GLY 384 Ca -0.24 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.49 1qid h GLY 384 CO 1.13 0.33 -0.45 -2.22 0.00 0.00 0.00 176.54 175.32 1qid h ILE 385 N 1.08 1.27 -0.58 2.60 2.04 -1.91 -1.24 117.51 120.78 1qid h ILE 385 Ca 0.39 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 1qid h ILE 385 Cb 0.15 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1qid h ILE 385 CO -0.14 0.54 0.01 0.11 0.00 0.00 0.00 178.15 178.67 1qid h LYS 386 N 0.73 1.00 -0.28 2.37 1.57 -1.82 -0.88 116.57 119.26 1qid h LYS 386 Ca 0.04 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1qid h LYS 386 Cb 1.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1qid h LYS 386 CO 0.11 0.97 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.96 1qid h ASN 387 N 0.92 0.56 0.03 0.86 2.35 -1.17 0.20 115.58 119.33 1qid h ASN 387 Ca 0.17 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1qid h ASN 387 Cb 0.52 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1qid h ASN 387 CO 0.03 0.81 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.48 1qid h ARG 388 N 0.30 -0.10 -0.25 0.81 1.12 -1.10 -1.09 114.38 114.07 1qid h ARG 388 Ca 0.07 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.86 1qid h ARG 388 Cb 0.57 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1qid h ARG 388 CO 0.03 -0.06 -0.21 -0.44 -3.11 0.00 0.00 179.97 176.18 1qid h ASP 389 N -0.10 0.46 -0.71 -3.80 3.32 -1.14 -1.30 116.42 113.14 1qid h ASP 389 Ca 0.01 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1qid h ASP 389 Cb 0.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1qid h ASP 389 CO -0.02 0.67 0.30 1.23 -1.72 0.00 0.00 179.24 179.70 1qid h GLY 390 N 0.98 1.12 1.07 2.75 0.00 -0.29 -0.33 103.07 108.37 1qid h GLY 390 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1qid h GLY 390 CO 0.04 0.56 -0.12 -2.00 0.00 0.00 0.00 176.54 175.02 1qid h LEU 391 N 1.00 0.98 -0.43 3.11 5.85 -0.91 -1.17 115.31 123.75 1qid h LEU 391 Ca 0.24 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1qid h LEU 391 Cb 0.18 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1qid h LEU 391 CO -0.02 1.11 0.25 -0.78 -0.34 0.00 0.00 178.44 178.66 1qid h ASP 392 N 0.83 0.41 -0.72 1.25 1.82 -0.88 -1.85 116.42 117.29 1qid h ASP 392 Ca 0.13 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1qid h ASP 392 Cb 0.69 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1qid h ASP 392 CO 0.05 0.29 0.33 0.44 -1.61 0.00 0.00 179.24 178.75 1qid h ASP 393 N 0.51 0.95 0.20 2.28 3.32 -0.79 -2.00 116.42 120.90 1qid h ASP 393 Ca 0.17 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1qid h ASP 393 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1qid h ASP 393 CO -0.08 0.83 -0.17 0.40 -1.72 0.00 0.00 179.24 178.50 1qid h ILE 394 N 1.01 0.62 -0.28 0.35 2.04 -0.76 0.30 117.51 120.79 1qid h ILE 394 Ca 0.25 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1qid h ILE 394 Cb 0.14 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1qid h ILE 394 CO -0.03 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.78 1qid h VAL 395 N -0.39 0.89 -0.34 1.67 2.07 -1.25 -0.82 116.25 118.08 1qid h VAL 395 Ca -0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1qid h VAL 395 Cb 0.36 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1qid h VAL 395 CO -0.03 0.03 0.02 1.23 0.02 0.00 0.00 177.57 178.84 1qid h GLY 396 N 0.19 0.63 0.81 2.17 0.00 -1.17 -1.74 103.07 103.95 1qid h GLY 396 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1qid h GLY 396 CO -0.15 0.41 0.02 -0.55 0.00 0.00 0.00 176.54 176.27 1qid h ASP 397 N 0.39 0.09 -0.38 0.19 3.32 -0.24 0.25 116.42 120.05 1qid h ASP 397 Ca 0.10 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1qid h ASP 397 Cb 0.42 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1qid h ASP 397 CO 0.01 0.29 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.07 1qid h HIS 398 N -0.11 0.73 0.00 4.55 2.76 -1.21 0.18 115.15 122.06 1qid h HIS 398 Ca 0.02 -0.13 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 1qid h HIS 398 Cb 0.23 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1qid h HIS 398 CO 0.00 0.76 -1.19 -0.91 -1.30 0.00 0.00 177.93 175.30 1qid h ASN 399 N 0.49 0.00 0.00 3.26 2.35 -1.36 -3.41 115.58 116.90 1qid h ASN 399 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1qid h ASN 399 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1qid h ASN 399 CO 0.02 0.45 0.00 0.52 -1.65 0.00 0.00 177.43 176.77 1qid n VAL 400 N -2.90 0.53 0.41 2.81 0.31 -0.08 -4.67 118.33 114.75 1qid n VAL 400 Ca -0.06 0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.26 1qid n VAL 400 Cb 0.77 -0.97 -0.09 0.00 -0.91 0.00 0.00 33.84 32.64 1qid n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1qid h ILE 401 N 0.00 0.21 -0.92 2.52 2.04 -1.22 -1.96 117.51 118.17 1qid h ILE 401 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1qid h ILE 401 Cb 0.00 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 1qid h ILE 401 CO 0.00 0.01 0.58 0.00 0.00 0.00 0.00 178.15 178.73 1qid h PRO 403 N 1.27 0.90 -0.34 0.00 0.11 -1.71 -1.25 132.00 130.98 1qid h PRO 403 Ca 0.33 -0.27 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 1qid h PRO 403 Cb -0.09 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1qid h PRO 403 CO -0.07 0.91 -0.19 1.25 -0.21 0.00 0.00 178.00 179.69 1qid h LEU 404 N 0.83 0.64 -0.89 2.35 6.46 -0.59 -1.61 115.31 122.50 1qid h LEU 404 Ca 0.15 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 1qid h LEU 404 Cb 0.52 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1qid h LEU 404 CO 0.03 0.84 -0.25 0.24 -0.62 0.00 0.00 178.44 178.67 1qid h MET 405 N 0.57 0.52 -0.34 1.25 2.86 -0.60 0.68 114.93 119.87 1qid h MET 405 Ca 0.09 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1qid h MET 405 Cb 0.64 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1qid h MET 405 CO 0.05 0.73 0.08 1.25 1.06 0.00 0.00 176.91 180.08 1qid h HIS 406 N 0.46 0.58 0.31 -0.22 -0.00 -0.87 -1.80 115.15 113.61 1qid h HIS 406 Ca 0.07 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1qid h HIS 406 Cb 0.69 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 1qid h HIS 406 CO 0.02 0.59 -0.15 0.35 -0.00 0.00 0.00 177.93 178.75 1qid h PHE 407 N 0.40 -0.38 -0.77 5.26 3.57 -0.95 -1.43 116.94 122.64 1qid h PHE 407 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1qid h PHE 407 Cb 0.30 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1qid h PHE 407 CO 0.02 -0.23 0.44 -0.24 -2.23 0.00 0.00 178.31 176.06 1qid h VAL 408 N -0.43 0.93 -0.43 1.41 3.04 -0.80 0.37 116.25 120.35 1qid h VAL 408 Ca -0.04 -0.26 -0.13 0.00 -1.01 0.00 0.00 66.70 65.25 1qid h VAL 408 Cb 0.33 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1qid h VAL 408 CO 0.07 0.14 -0.26 0.78 -1.01 0.00 0.00 177.57 177.29 1qid h ASN 409 N 0.76 0.94 -0.28 3.17 2.35 -1.21 -0.79 115.58 120.52 1qid h ASN 409 Ca 0.36 -0.37 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1qid h ASN 409 Cb 0.29 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1qid h ASN 409 CO -0.22 1.14 -0.48 0.11 -1.65 0.00 0.00 177.43 176.33 1qid h LYS 410 N 0.78 0.81 -0.27 0.81 1.79 -0.59 -3.28 116.57 116.62 1qid h LYS 410 Ca 0.09 -0.50 -0.05 0.00 -2.18 0.00 0.00 60.65 58.02 1qid h LYS 410 Cb 0.82 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1qid h LYS 410 CO 0.07 1.13 -0.01 -0.92 -1.08 0.00 0.00 179.45 178.64 1qid h TYR 411 N 0.57 0.53 -0.12 -1.35 5.03 -0.22 -3.10 116.97 118.31 1qid h TYR 411 Ca 0.02 -0.10 0.03 0.00 2.58 0.00 0.00 58.73 61.27 1qid h TYR 411 Cb 1.08 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.22 1qid h TYR 411 CO 0.08 0.65 0.20 1.15 -1.32 0.00 0.00 178.16 178.91 1qid h THR 412 N 0.26 0.27 -0.03 1.81 2.02 -1.21 0.14 112.91 116.16 1qid h THR 412 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1qid h THR 412 Cb 0.45 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1qid h THR 412 CO 0.02 0.00 -0.44 0.50 0.37 0.00 0.00 175.52 175.97 1qid h LYS 413 N 0.00 0.08 0.00 6.66 3.64 -1.60 -3.30 116.57 122.05 1qid h LYS 413 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1qid h LYS 413 Cb 0.45 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1qid h LYS 413 CO -0.00 0.51 -0.55 1.19 -2.27 0.00 0.00 179.45 178.33 1qid n PHE 414 N -4.01 0.00 -1.42 1.91 3.01 -0.39 -5.07 117.46 111.49 1qid n PHE 414 Ca -0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1qid n PHE 414 Cb 0.48 -0.03 0.21 0.00 -0.01 0.00 0.00 39.48 40.13 1qid n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1qid s GLY 415 N -1.97 1.65 0.00 1.37 0.00 0.34 -4.84 107.32 103.88 1qid s GLY 415 Ca 0.02 -1.00 0.14 0.00 0.00 0.00 0.00 44.72 43.88 1qid s GLY 415 CO 0.34 -0.18 1.29 -2.01 0.00 0.00 0.00 173.10 172.53 1qid n ASN 416 N -4.32 3.09 0.00 1.64 4.05 -0.51 -4.91 115.26 114.31 1qid n ASN 416 Ca 0.13 -1.96 0.00 0.00 0.45 0.00 0.00 54.58 53.20 1qid n ASN 416 Cb 0.59 -0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.34 1qid n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qid n GLY 417 N 0.79 3.09 3.20 8.20 0.00 -1.24 -4.75 105.19 114.48 1qid n GLY 417 Ca 0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1qid n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qid s THR 418 N 0.00 1.68 -0.15 2.61 2.01 -1.26 -0.64 115.64 119.90 1qid s THR 418 Ca 0.00 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 1qid s THR 418 Cb 0.00 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1qid s THR 418 CO 0.00 0.48 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.02 1qid s TYR 419 N -0.14 1.75 -0.06 4.92 2.02 -0.67 0.02 117.35 125.19 1qid s TYR 419 Ca -0.01 -1.01 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 1qid s TYR 419 Cb -0.12 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1qid s TYR 419 CO 0.02 -0.59 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.14 1qid s LEU 420 N 1.62 3.00 0.14 -1.29 2.96 -1.26 -1.18 118.68 122.67 1qid s LEU 420 Ca 0.03 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1qid s LEU 420 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1qid s LEU 420 CO -0.08 0.35 -0.10 -0.72 -1.32 0.00 0.00 176.35 174.48 1qid s TYR 421 N -0.75 1.24 -0.26 5.38 -0.85 -0.53 -2.07 117.35 119.51 1qid s TYR 421 Ca 0.11 -0.76 -0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1qid s TYR 421 Cb -0.11 -0.63 0.08 0.00 0.38 0.00 0.00 41.96 41.68 1qid s TYR 421 CO 0.01 0.07 0.06 0.12 -1.52 0.00 0.00 175.55 174.29 1qid s PHE 422 N -3.30 1.47 -0.44 -3.49 5.36 -0.22 -2.56 117.98 114.80 1qid s PHE 422 Ca 0.16 -1.40 -0.27 0.00 -0.96 0.00 0.00 56.93 54.46 1qid s PHE 422 Cb 0.02 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.30 1qid s PHE 422 CO 0.00 -0.78 0.99 0.12 -1.46 0.00 0.00 175.22 174.10 1qid s PHE 423 N 1.70 2.94 -0.17 10.12 5.36 0.74 -0.92 117.98 137.76 1qid s PHE 423 Ca 0.05 0.61 0.16 0.00 -0.96 0.00 0.00 56.93 56.79 1qid s PHE 423 Cb -0.17 -4.01 0.44 0.00 -0.34 0.00 0.00 43.02 38.94 1qid s PHE 423 CO -0.18 -1.07 1.18 0.27 -1.46 0.00 0.00 175.22 173.97 1qid n ASN 424 N 7.25 2.04 -4.59 6.13 6.94 -1.11 -1.30 115.26 130.62 1qid n ASN 424 Ca 0.08 -3.05 -0.36 0.00 -0.02 0.00 0.00 54.58 51.24 1qid n ASN 424 Cb 0.48 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.38 1qid n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1qid s HIS 425 N -2.40 3.22 -0.26 -2.53 2.46 -1.25 -4.97 115.29 109.55 1qid s HIS 425 Ca 0.38 -0.01 -0.17 0.00 0.47 0.00 0.00 55.06 55.73 1qid s HIS 425 Cb 0.38 -2.18 -0.03 0.00 -0.13 0.00 0.00 32.58 30.61 1qid s HIS 425 CO -0.08 -0.02 0.45 0.50 -2.47 0.00 0.00 174.74 173.13 1qid s ARG 426 N 0.93 4.04 0.23 2.88 3.52 -1.26 -4.87 118.95 124.42 1qid s ARG 426 Ca 0.05 0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 1qid s ARG 426 Cb -0.14 -3.65 -0.14 0.00 -1.56 0.00 0.00 34.95 29.46 1qid s ARG 426 CO 0.03 -0.32 1.30 0.00 -0.81 0.00 0.00 175.30 175.50 1qid n ALA 427 N 5.45 0.47 0.31 6.12 0.00 -1.26 -4.88 120.51 126.72 1qid n ALA 427 Ca -0.06 0.42 0.19 0.00 0.00 0.00 0.00 53.44 53.99 1qid n ALA 427 Cb 0.50 -2.18 0.90 0.00 0.00 0.00 0.00 19.45 18.67 1qid n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qid h SER 428 N 3.69 0.00 -0.35 0.00 4.64 -1.95 -2.89 113.55 116.69 1qid h SER 428 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1qid h SER 428 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1qid h SER 428 CO 0.72 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.22 1qid n ASN 429 N -3.01 4.29 -4.76 4.97 0.23 -1.26 -5.02 115.26 110.70 1qid n ASN 429 Ca -0.01 -2.94 -0.41 0.00 -0.53 0.00 0.00 54.58 50.69 1qid n ASN 429 Cb 0.19 -0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 37.31 1qid n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qid s LEU 430 N -2.71 4.38 0.09 -4.53 1.43 -1.10 -4.92 118.68 111.32 1qid s LEU 430 Ca 0.45 2.80 0.23 0.00 -1.03 0.00 0.00 54.13 56.58 1qid s LEU 430 Cb 0.35 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 43.01 1qid s LEU 430 CO 0.11 -0.70 1.06 1.33 0.23 0.00 0.00 176.35 178.39 1qid n VAL 431 N 1.20 0.27 -2.05 -1.59 0.24 -1.26 -4.92 118.33 110.23 1qid n VAL 431 Ca 0.03 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.34 61.68 1qid n VAL 431 Cb 0.40 0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.82 1qid n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1qid s TRP 432 N -3.23 2.93 0.98 6.34 0.52 -1.26 -4.99 118.94 120.22 1qid s TRP 432 Ca 0.03 1.52 -0.11 0.00 0.02 0.00 0.00 56.10 57.56 1qid s TRP 432 Cb 0.13 -3.04 0.18 0.00 -1.15 0.00 0.00 33.47 29.59 1qid s TRP 432 CO 0.79 -1.19 1.12 -1.25 0.02 0.00 0.00 176.95 176.43 1qid s PRO 433 N -3.99 0.53 0.27 4.98 0.04 -1.26 -4.93 135.00 130.63 1qid s PRO 433 Ca 0.65 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 1qid s PRO 433 Cb -0.17 -1.68 0.35 0.00 0.04 0.00 0.00 34.50 33.04 1qid s PRO 433 CO 0.36 -2.91 1.83 0.93 0.04 0.00 0.00 177.00 177.25 1qid h GLU 434 N -2.07 0.94 -0.07 4.56 4.39 -1.95 -3.02 114.58 117.37 1qid h GLU 434 Ca -0.48 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.07 1qid h GLU 434 Cb 1.28 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1qid h GLU 434 CO 0.44 0.79 0.09 0.11 -1.16 0.00 0.00 179.01 179.28 1qid h TRP 435 N 0.91 0.00 0.00 4.33 5.08 -1.91 -1.03 115.95 123.33 1qid h TRP 435 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1qid h TRP 435 Cb 0.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1qid h TRP 435 CO 0.02 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.85 1qid n MET 436 N -3.63 0.16 0.00 0.12 2.81 -1.14 -4.97 117.12 110.47 1qid n MET 436 Ca -0.01 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1qid n MET 436 Cb 0.19 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1qid n MET 436 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qid n GLY 437 N 0.72 3.26 3.45 3.03 0.00 -0.39 -4.02 105.19 111.24 1qid n GLY 437 Ca 0.04 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1qid n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qid s VAL 438 N 0.00 4.75 0.45 1.61 1.01 -1.26 -4.89 120.40 122.07 1qid s VAL 438 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.13 1qid s VAL 438 Cb 0.00 -4.78 -0.07 0.00 0.00 0.00 0.00 36.38 31.53 1qid s VAL 438 CO 0.00 -1.50 1.28 -0.63 0.00 0.00 0.00 175.10 174.25 1qid s ILE 439 N 2.63 2.62 -0.07 2.22 1.01 -1.26 -1.45 121.20 126.89 1qid s ILE 439 Ca 0.33 0.51 -0.38 0.00 0.00 0.00 0.00 60.65 61.10 1qid s ILE 439 Cb -0.05 -3.28 -0.16 0.00 0.01 0.00 0.00 42.46 38.98 1qid s ILE 439 CO -0.09 0.04 1.52 1.57 0.00 0.00 0.00 174.94 177.97 1qid n HIS 440 N -0.31 1.75 -0.22 3.97 -0.00 -1.25 -1.10 115.22 118.06 1qid n HIS 440 Ca 0.06 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 1qid n HIS 440 Cb 0.45 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 1qid n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qid n GLY 441 N 3.26 1.64 0.76 1.57 0.00 -1.26 -4.93 105.19 106.23 1qid n GLY 441 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1qid n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qid n TYR 442 N -2.00 0.59 0.29 1.61 4.02 -0.26 -2.92 117.16 118.48 1qid n TYR 442 Ca 0.00 -0.25 0.11 0.00 -0.01 0.00 0.00 57.90 57.75 1qid n TYR 442 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 39.34 39.16 1qid n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1qid n GLU 443 N 0.40 0.47 -0.07 -0.72 0.00 -1.26 -4.33 120.64 115.13 1qid n GLU 443 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 57.16 57.14 1qid n GLU 443 Cb 0.40 -1.60 -0.01 0.00 0.00 0.00 0.00 31.44 30.22 1qid n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1qid h ILE 444 N 0.00 0.75 -0.35 3.84 2.04 -1.93 -1.38 117.51 120.47 1qid h ILE 444 Ca 0.00 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1qid h ILE 444 Cb 0.87 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1qid h ILE 444 CO 0.00 0.00 0.25 1.05 0.00 0.00 0.00 178.15 179.46 1qid h GLU 445 N 0.02 0.01 0.02 2.37 4.11 -1.79 0.70 114.58 120.02 1qid h GLU 445 Ca 0.13 -0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.35 1qid h GLU 445 Cb 0.19 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1qid h GLU 445 CO -0.26 0.01 -0.98 0.74 0.07 0.00 0.00 179.01 178.59 1qid h PHE 446 N 0.01 0.12 -0.16 2.06 -1.00 -1.53 -1.21 116.94 115.23 1qid h PHE 446 Ca 0.17 -0.08 -0.16 0.00 2.81 0.00 0.00 57.97 60.71 1qid h PHE 446 Cb 0.66 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1qid h PHE 446 CO -0.00 1.00 -0.59 0.28 -1.61 0.00 0.00 178.31 177.39 1qid h VAL 447 N 0.03 1.33 -0.27 -0.55 2.07 -0.13 -3.02 116.25 115.71 1qid h VAL 447 Ca -0.03 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1qid h VAL 447 Cb 1.69 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1qid h VAL 447 CO 0.14 0.57 0.00 0.49 0.02 0.00 0.00 177.57 178.79 1qid n PHE 448 N -3.93 0.36 -2.07 1.57 3.01 -0.07 -4.64 117.46 111.69 1qid n PHE 448 Ca -0.03 -0.18 -0.12 0.00 1.01 0.00 0.00 57.45 58.12 1qid n PHE 448 Cb 0.62 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.08 1qid n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qid n GLY 449 N 1.18 0.14 0.26 1.37 0.00 -0.99 -4.23 105.19 102.92 1qid n GLY 449 Ca 0.16 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1qid n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qid h LEU 450 N 0.00 0.16 -0.18 0.99 -0.00 -1.52 -2.44 115.31 112.33 1qid h LEU 450 Ca -0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1qid h LEU 450 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1qid h LEU 450 CO 0.36 0.21 0.00 -2.65 -0.00 0.00 0.00 178.44 176.36 1qid n PRO 451 N -4.41 0.03 0.11 1.13 -0.02 -1.26 -1.64 135.00 128.93 1qid n PRO 451 Ca -0.01 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1qid n PRO 451 Cb 0.16 -1.57 0.41 0.00 -0.02 0.00 0.00 33.50 32.48 1qid n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1qid n LEU 452 N -1.62 0.83 -4.42 2.45 4.77 -0.92 -4.49 117.00 113.60 1qid n LEU 452 Ca 0.01 0.59 -0.44 0.00 -0.03 0.00 0.00 56.01 56.14 1qid n LEU 452 Cb 0.08 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1qid n LEU 452 CO 0.07 -0.22 0.36 0.54 -1.33 0.00 0.00 177.39 176.80 1qid s VAL 453 N -3.12 4.86 0.28 4.08 0.11 -0.65 -4.95 120.40 121.00 1qid s VAL 453 Ca 0.10 -0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1qid s VAL 453 Cb 0.12 -4.36 0.45 0.00 -1.53 0.00 0.00 36.38 31.06 1qid s VAL 453 CO 0.58 -0.91 1.54 0.29 -3.33 0.00 0.00 175.10 173.28 1qid n LYS 454 N 6.22 -0.09 0.17 1.54 4.76 -1.26 -0.45 118.16 129.05 1qid n LYS 454 Ca -0.07 1.54 0.08 0.00 -2.87 0.00 0.00 58.31 56.99 1qid n LYS 454 Cb 0.44 -2.31 0.45 0.00 -1.84 0.00 0.00 35.03 31.78 1qid n LYS 454 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1qid n GLU 455 N -5.61 0.11 0.00 1.97 0.00 -1.26 -1.07 120.64 114.78 1qid n GLU 455 Ca 0.16 0.60 0.14 0.00 0.00 0.00 0.00 57.16 58.05 1qid n GLU 455 Cb 0.49 -2.05 0.56 0.00 0.00 0.00 0.00 31.44 30.45 1qid n GLU 455 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1qid n LEU 456 N -2.14 0.49 -2.25 -1.84 4.77 0.41 -4.97 117.00 111.46 1qid n LEU 456 Ca -0.01 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1qid n LEU 456 Cb 0.21 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1qid n LEU 456 CO 0.07 0.09 0.13 0.59 -1.33 0.00 0.00 177.39 176.94 1qid n ASN 457 N -1.02 -4.07 -4.97 -1.43 3.02 -0.23 -5.01 115.26 101.55 1qid n ASN 457 Ca 0.13 -0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 54.15 1qid n ASN 457 Cb 0.29 -3.05 0.02 0.00 -0.61 0.00 0.00 39.78 36.44 1qid n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qid s TYR 458 N -3.18 3.05 0.77 3.10 1.51 -1.26 -4.67 117.35 116.67 1qid s TYR 458 Ca 0.28 0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.31 1qid s TYR 458 Cb -0.12 -2.45 0.10 0.00 -0.11 0.00 0.00 41.96 39.38 1qid s TYR 458 CO 0.41 -0.52 1.09 0.95 -1.11 0.00 0.00 175.55 176.37 1qid s THR 459 N -2.58 2.17 0.20 -0.71 -4.23 -1.26 -4.95 115.64 104.27 1qid s THR 459 Ca 0.52 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1qid s THR 459 Cb -0.10 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.87 1qid s THR 459 CO 0.37 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.10 1qid h ALA 460 N -0.85 0.87 -0.08 3.99 0.00 -1.99 -2.52 119.26 118.68 1qid h ALA 460 Ca -0.43 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1qid h ALA 460 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qid h ALA 460 CO 0.53 0.65 -0.26 1.05 0.00 0.00 0.00 179.25 181.22 1qid h GLU 461 N 0.90 0.14 0.00 0.00 9.09 -1.99 -1.50 114.58 121.23 1qid h GLU 461 Ca 0.15 -0.04 -0.11 0.00 0.05 0.00 0.00 59.36 59.41 1qid h GLU 461 Cb 0.59 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.66 1qid h GLU 461 CO 0.04 0.40 -0.52 0.93 0.05 0.00 0.00 179.01 179.91 1qid h GLU 462 N 0.13 0.00 -0.21 1.06 5.08 -1.85 0.15 114.58 118.94 1qid h GLU 462 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1qid h GLU 462 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1qid h GLU 462 CO 0.04 0.52 -0.52 1.49 -1.00 0.00 0.00 179.01 179.54 1qid h GLU 463 N 0.00 0.71 -0.60 2.33 4.81 -1.02 -0.73 114.58 120.08 1qid h GLU 463 Ca -0.01 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1qid h GLU 463 Cb 1.07 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1qid h GLU 463 CO 0.07 1.11 0.30 0.00 -0.73 0.00 0.00 179.01 179.76 1qid h ALA 464 N 0.60 0.77 -0.68 2.92 0.00 -0.99 -0.93 119.26 120.95 1qid h ALA 464 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1qid h ALA 464 Cb 1.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1qid h ALA 464 CO 0.11 0.33 0.21 1.25 0.00 0.00 0.00 179.25 181.15 1qid h LEU 465 N 0.82 1.00 -0.62 0.00 5.85 -0.60 -2.00 115.31 119.76 1qid h LEU 465 Ca 0.21 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1qid h LEU 465 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1qid h LEU 465 CO -0.03 0.94 0.27 -1.28 -0.34 0.00 0.00 178.44 178.01 1qid h SER 466 N 1.00 0.83 -0.60 1.25 0.87 -0.70 -1.37 113.55 114.83 1qid h SER 466 Ca 0.22 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1qid h SER 466 Cb 0.30 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1qid h SER 466 CO -0.01 0.76 0.15 0.03 -0.53 0.00 0.00 176.83 177.23 1qid h ARG 467 N 0.86 0.96 0.04 2.24 3.08 -0.96 0.70 114.38 121.30 1qid h ARG 467 Ca 0.21 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1qid h ARG 467 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1qid h ARG 467 CO -0.02 0.88 -0.02 0.00 -1.07 0.00 0.00 179.97 179.74 1qid h ARG 468 N 0.88 -0.05 0.01 0.04 3.08 -1.17 0.19 114.38 117.36 1qid h ARG 468 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1qid h ARG 468 Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1qid h ARG 468 CO 0.00 -0.02 -0.00 0.82 -1.07 0.00 0.00 179.97 179.70 1qid h ILE 469 N -0.07 1.00 -0.79 2.04 2.04 -1.08 0.27 117.51 120.91 1qid h ILE 469 Ca -0.01 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1qid h ILE 469 Cb 0.06 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1qid h ILE 469 CO 0.01 0.01 0.47 0.24 0.00 0.00 0.00 178.15 178.87 1qid h MET 470 N -0.02 0.81 -0.18 2.37 2.86 -0.75 0.50 114.93 120.52 1qid h MET 470 Ca -0.00 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1qid h MET 470 Cb 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1qid h MET 470 CO 0.00 0.53 -0.35 1.25 1.06 0.00 0.00 176.91 179.40 1qid h HIS 471 N 0.83 0.43 0.21 -0.22 -0.00 -0.47 0.05 115.15 115.99 1qid h HIS 471 Ca 0.36 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.61 1qid h HIS 471 Cb 0.23 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1qid h HIS 471 CO -0.05 0.68 -0.10 1.88 -0.00 0.00 0.00 177.93 180.34 1qid h TYR 472 N 0.32 -0.27 -0.18 5.26 0.05 0.55 -0.99 116.97 121.72 1qid h TYR 472 Ca 0.04 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.85 1qid h TYR 472 Cb 0.78 0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.56 1qid h TYR 472 CO 0.02 0.02 -0.08 -1.49 -1.05 0.00 0.00 178.16 175.59 1qid h TRP 473 N -0.55 -0.18 -0.33 4.88 -0.00 -0.75 -0.79 115.95 118.22 1qid h TRP 473 Ca -0.03 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 58.75 1qid h TRP 473 Cb 0.41 0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.67 1qid h TRP 473 CO 0.01 -0.13 -0.32 0.00 -0.00 0.00 0.00 178.44 178.01 1qid h ALA 474 N 1.11 0.81 -0.15 1.49 0.00 -1.02 -0.70 119.26 120.80 1qid h ALA 474 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1qid h ALA 474 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qid h ALA 474 CO -0.21 0.64 -0.39 1.15 0.00 0.00 0.00 179.25 180.43 1qid h THR 475 N 0.61 1.30 -0.28 0.00 2.02 -1.01 -1.10 112.91 114.45 1qid h THR 475 Ca 0.07 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.66 1qid h THR 475 Cb 0.84 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1qid h THR 475 CO 0.07 0.46 -0.15 0.15 0.37 0.00 0.00 175.52 176.42 1qid h PHE 476 N 0.28 0.70 -0.85 3.16 3.57 -0.91 -0.13 116.94 122.76 1qid h PHE 476 Ca 0.03 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.39 1qid h PHE 476 Cb 0.82 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1qid h PHE 476 CO 0.02 0.85 0.56 0.00 -2.23 0.00 0.00 178.31 177.50 1qid h ALA 477 N 0.74 1.48 0.01 2.41 0.00 -0.75 0.61 119.26 123.77 1qid h ALA 477 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1qid h ALA 477 Cb 0.67 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qid h ALA 477 CO 0.04 0.43 -0.36 0.87 0.00 0.00 0.00 179.25 180.23 1qid h LYS 478 N 1.05 0.23 0.00 0.00 1.57 -1.06 -3.42 116.57 114.94 1qid h LYS 478 Ca 0.34 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1qid h LYS 478 Cb 0.05 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1qid h LYS 478 CO -0.10 0.99 -1.31 0.25 -0.57 0.00 0.00 179.45 178.70 1qid n THR 479 N -4.41 0.00 -0.44 -0.16 -2.24 -0.07 -5.00 114.28 101.95 1qid n THR 479 Ca -0.10 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1qid n THR 479 Cb 0.57 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1qid n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qid n GLY 480 N 1.94 0.77 3.04 3.38 0.00 0.21 -5.03 105.19 109.51 1qid n GLY 480 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1qid n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qid s ASN 481 N -2.10 0.16 0.38 1.61 3.84 -1.25 -4.93 114.94 112.65 1qid s ASN 481 Ca 0.00 0.62 0.28 0.00 0.21 0.00 0.00 52.86 53.97 1qid s ASN 481 Cb 0.00 0.68 1.21 0.00 -0.55 0.00 0.00 41.25 42.60 1qid s ASN 481 CO 0.00 -0.22 1.83 1.55 -2.79 0.00 0.00 177.10 177.47 1qid h PRO 482 N 8.02 0.00 -6.44 0.43 0.13 -1.81 -3.17 132.00 129.16 1qid h PRO 482 Ca -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.39 1qid h PRO 482 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1qid h PRO 482 CO 0.19 0.00 0.04 -0.80 -0.23 0.00 0.00 178.00 177.20 1qid s ASN 483 N -4.74 7.04 0.00 1.44 0.01 -1.26 -4.48 114.94 112.95 1qid s ASN 483 Ca 0.02 1.33 -0.30 0.00 -0.71 0.00 0.00 52.86 53.20 1qid s ASN 483 Cb 0.09 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1qid s ASN 483 CO 0.42 0.11 1.14 -1.61 -1.51 0.00 0.00 177.10 175.66 1qid s GLU 484 N -1.73 4.43 0.21 -0.60 0.41 -1.26 -4.95 118.70 115.21 1qid s GLU 484 Ca 0.38 1.65 -0.20 0.00 -0.41 0.00 0.00 54.97 56.39 1qid s GLU 484 Cb -0.17 -3.45 0.16 0.00 -1.78 0.00 0.00 34.13 28.89 1qid s GLU 484 CO 0.21 -0.28 1.50 -2.30 -0.49 0.00 0.00 175.26 173.90 1qid n PRO 485 N 4.38 -0.28 -0.56 0.39 -0.02 -1.26 -2.15 135.00 135.50 1qid n PRO 485 Ca 0.09 1.48 0.04 0.00 -2.02 0.00 0.00 63.50 63.09 1qid n PRO 485 Cb 0.47 -2.20 0.24 0.00 -0.02 0.00 0.00 33.50 31.99 1qid n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qid n HIS 486 N -5.37 1.02 -0.84 6.00 8.25 -1.26 -5.03 115.22 117.98 1qid n HIS 486 Ca 0.08 -1.12 -0.31 0.00 -0.26 0.00 0.00 57.72 56.11 1qid n HIS 486 Cb 0.35 -0.38 0.15 0.00 1.12 0.00 0.00 29.99 31.24 1qid n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qid s SER 487 N -2.13 3.23 0.00 0.41 0.15 -0.91 -4.94 113.70 109.51 1qid s SER 487 Ca 0.43 2.04 0.14 0.00 0.70 0.00 0.00 55.95 59.27 1qid s SER 487 Cb 0.36 -2.53 -0.14 0.00 -1.71 0.00 0.00 66.02 62.00 1qid s SER 487 CO 0.06 -2.89 0.62 0.00 1.20 0.00 0.00 173.24 172.23 1qid n GLN 488 N -4.08 2.26 -0.71 5.44 1.13 -1.26 -5.00 117.38 115.16 1qid n GLN 488 Ca 0.11 -0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 1qid n GLN 488 Cb 0.52 -1.18 0.22 0.00 0.11 0.00 0.00 30.24 29.91 1qid n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qid s GLU 489 N -2.30 -0.18 0.26 -1.09 0.41 -1.26 -4.94 118.70 109.59 1qid s GLU 489 Ca 0.06 0.95 -0.30 0.00 -0.41 0.00 0.00 54.97 55.27 1qid s GLU 489 Cb 0.11 -1.63 -0.10 0.00 -1.78 0.00 0.00 34.13 30.73 1qid s GLU 489 CO 0.57 -3.26 1.33 0.45 -0.49 0.00 0.00 175.26 173.86 1qid s SER 490 N -2.74 6.81 -0.09 -0.19 0.15 -1.26 -4.99 113.70 111.39 1qid s SER 490 Ca 0.67 2.55 -0.20 0.00 0.70 0.00 0.00 55.95 59.68 1qid s SER 490 Cb -0.23 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.41 1qid s SER 490 CO 0.62 -0.56 0.55 -0.54 1.20 0.00 0.00 173.24 174.51 1qid s LYS 491 N -0.75 4.36 -0.52 5.44 -0.14 -1.26 -5.03 119.74 121.83 1qid s LYS 491 Ca 0.54 0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 55.46 1qid s LYS 491 Cb -0.39 -3.43 0.03 0.00 -1.68 0.00 0.00 37.83 32.36 1qid s LYS 491 CO 0.44 0.16 1.23 -0.46 -0.76 0.00 0.00 175.35 175.96 1qid s TRP 492 N 0.57 2.61 0.68 3.18 -0.11 -1.26 -5.00 118.94 119.62 1qid s TRP 492 Ca 0.29 0.56 -0.15 0.00 1.22 0.00 0.00 56.10 58.03 1qid s TRP 492 Cb -0.16 -4.45 0.01 0.00 -1.50 0.00 0.00 33.47 27.37 1qid s TRP 492 CO 0.13 -1.58 1.13 -1.25 -4.62 0.00 0.00 176.95 170.76 1qid s PRO 493 N 4.86 2.59 0.20 5.86 0.04 -1.26 -4.91 135.00 142.38 1qid s PRO 493 Ca 0.48 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1qid s PRO 493 Cb -0.09 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1qid s PRO 493 CO 0.29 -1.43 1.08 -1.17 0.04 0.00 0.00 177.00 175.81 1qid s LEU 494 N -5.00 4.51 -0.16 -3.56 2.96 -1.26 -4.68 118.68 111.49 1qid s LEU 494 Ca 0.68 2.10 -0.27 0.00 -0.22 0.00 0.00 54.13 56.43 1qid s LEU 494 Cb -0.22 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.85 1qid s LEU 494 CO 0.43 -0.17 0.92 0.12 -1.32 0.00 0.00 176.35 176.33 1qid s PHE 495 N -0.48 3.43 0.23 5.38 2.19 0.10 -4.51 117.98 124.33 1qid s PHE 495 Ca 0.48 1.40 0.12 0.00 0.33 0.00 0.00 56.93 59.25 1qid s PHE 495 Cb -0.29 -3.11 -0.05 0.00 -1.31 0.00 0.00 43.02 38.26 1qid s PHE 495 CO 0.36 -0.28 -0.22 0.95 1.83 0.00 0.00 175.22 177.86 1qid s THR 496 N 2.29 2.38 0.41 0.12 -4.23 -1.26 -4.33 115.64 111.03 1qid s THR 496 Ca 0.42 -2.20 0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1qid s THR 496 Cb -0.17 -2.19 0.33 0.00 1.34 0.00 0.00 72.50 71.81 1qid s THR 496 CO 0.13 -0.26 1.95 0.74 -0.54 0.00 0.00 174.62 176.64 1qid h THR 497 N 2.77 0.88 0.06 3.99 2.02 -1.95 0.23 112.91 120.91 1qid h THR 497 Ca -0.43 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1qid h THR 497 Cb 1.23 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1qid h THR 497 CO 0.54 0.09 -0.03 0.50 0.37 0.00 0.00 175.52 176.99 1qid h LYS 498 N 0.48 -0.07 0.05 6.66 3.64 -2.01 -3.40 116.57 121.93 1qid h LYS 498 Ca 0.32 0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.45 1qid h LYS 498 Cb 0.61 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1qid h LYS 498 CO -0.10 0.17 -1.27 0.93 -2.27 0.00 0.00 179.45 176.91 1qid h GLU 499 N -1.00 0.11 -6.35 1.90 4.39 -1.95 -3.48 114.58 108.20 1qid h GLU 499 Ca -0.01 -0.19 -0.48 0.00 0.34 0.00 0.00 59.36 59.03 1qid h GLU 499 Cb 0.28 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1qid h GLU 499 CO 0.01 1.00 -0.81 1.04 -1.16 0.00 0.00 179.01 179.09 1qid n GLN 500 N -3.36 -4.69 -2.35 2.33 6.02 0.79 -4.40 117.38 111.72 1qid n GLN 500 Ca -0.08 0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 57.12 1qid n GLN 500 Cb 1.00 -5.21 -0.02 0.00 1.02 0.00 0.00 30.24 27.03 1qid n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qid s LYS 501 N -6.50 3.66 0.19 -1.09 1.02 -1.26 -2.00 119.74 113.75 1qid s LYS 501 Ca 0.41 1.24 -0.17 0.00 0.02 0.00 0.00 55.97 57.47 1qid s LYS 501 Cb -0.21 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1qid s LYS 501 CO 0.85 -0.54 0.49 -0.59 -0.92 0.00 0.00 175.35 174.64 1qid s PHE 502 N -2.25 -0.09 0.28 3.18 -0.71 -0.41 -4.25 117.98 113.73 1qid s PHE 502 Ca 0.65 -0.25 0.11 0.00 -1.04 0.00 0.00 56.93 56.39 1qid s PHE 502 Cb -0.15 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1qid s PHE 502 CO 0.27 -0.88 -0.17 0.96 -1.34 0.00 0.00 175.22 174.06 1qid s ILE 503 N -3.87 2.34 0.36 -4.49 -4.36 -0.88 -0.01 121.20 110.29 1qid s ILE 503 Ca 0.09 -2.35 -0.06 0.00 -0.26 0.00 0.00 60.65 58.08 1qid s ILE 503 Cb -0.00 -2.33 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 1qid s ILE 503 CO -0.04 -0.38 0.65 -1.81 0.24 0.00 0.00 174.94 173.60 1qid s ASP 504 N -3.50 6.40 -0.32 4.36 1.01 -0.99 -1.05 116.67 122.57 1qid s ASP 504 Ca 0.30 0.82 0.02 0.00 0.71 0.00 0.00 52.55 54.40 1qid s ASP 504 Cb -0.03 -2.19 0.10 0.00 1.01 0.00 0.00 42.92 41.80 1qid s ASP 504 CO 0.14 -0.34 0.06 -0.22 0.21 0.00 0.00 175.17 175.03 1qid s LEU 505 N -3.97 3.51 0.00 1.23 2.96 -0.09 -4.68 118.68 117.63 1qid s LEU 505 Ca 0.46 -1.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.52 1qid s LEU 505 Cb -0.10 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1qid s LEU 505 CO 0.34 -0.38 0.00 -0.46 -1.32 0.00 0.00 176.35 174.53 1qid n ASN 506 N 4.54 0.00 -0.47 3.68 0.23 -1.26 -2.74 115.26 119.24 1qid n ASN 506 Ca 0.00 -0.76 0.11 0.00 -0.53 0.00 0.00 54.58 53.40 1qid n ASN 506 Cb 0.42 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.55 1qid n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1qid n THR 507 N 0.00 0.16 -2.95 5.53 -2.24 -1.26 -4.88 114.28 108.64 1qid n THR 507 Ca 0.00 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 1qid n THR 507 Cb 0.00 0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1qid n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qid s GLU 508 N -1.84 3.00 0.32 -0.78 2.02 -1.26 -5.03 118.70 115.13 1qid s GLU 508 Ca 0.33 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 1qid s GLU 508 Cb 0.17 -2.55 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 1qid s GLU 508 CO 0.27 -0.32 1.57 -2.14 0.02 0.00 0.00 175.26 174.66 1qid s PRO 509 N -4.57 4.10 0.14 0.39 0.02 -1.26 -4.85 135.00 128.97 1qid s PRO 509 Ca 0.49 2.60 -0.33 0.00 0.02 0.00 0.00 61.00 63.78 1qid s PRO 509 Cb -0.10 -3.00 -0.17 0.00 0.02 0.00 0.00 34.50 31.25 1qid s PRO 509 CO 0.38 -0.62 1.02 -0.12 -0.33 0.00 0.00 177.00 177.33 1qid n MET 510 N 1.60 0.70 -4.22 5.54 0.00 -1.26 -4.99 117.12 114.49 1qid n MET 510 Ca 0.06 0.25 -0.25 0.00 -0.00 0.00 0.00 57.70 57.76 1qid n MET 510 Cb 0.38 -1.65 -0.17 0.00 0.00 0.00 0.00 33.22 31.78 1qid n MET 510 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1qid s LYS 511 N -0.44 1.45 -0.07 2.12 1.02 -1.26 -5.05 119.74 117.51 1qid s LYS 511 Ca 0.75 -0.28 -0.14 0.00 0.02 0.00 0.00 55.97 56.32 1qid s LYS 511 Cb -0.95 -1.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1qid s LYS 511 CO 0.54 -0.12 0.36 0.08 -0.92 0.00 0.00 175.35 175.30 1qid s VAL 512 N 1.17 5.17 0.33 3.17 1.01 -1.26 -2.36 120.40 127.63 1qid s VAL 512 Ca -0.06 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1qid s VAL 512 Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1qid s VAL 512 CO -0.02 0.50 0.08 1.41 0.00 0.00 0.00 175.10 177.07 1qid n HIS 513 N 2.56 0.31 -3.92 5.22 8.25 0.98 -4.96 115.22 123.66 1qid n HIS 513 Ca -0.13 -1.94 -0.10 0.00 -0.26 0.00 0.00 57.72 55.29 1qid n HIS 513 Cb 0.52 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1qid n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qid s GLN 514 N -3.22 0.39 -0.92 -0.41 -0.21 -1.26 -1.29 119.66 112.74 1qid s GLN 514 Ca 0.11 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 54.92 1qid s GLN 514 Cb 0.01 0.15 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 1qid s GLN 514 CO 0.08 -0.08 0.72 0.54 -2.12 0.00 0.00 175.29 174.43 1qid n ARG 515 N 1.55 -1.40 -1.67 2.91 1.74 -0.85 -4.82 116.66 114.13 1qid n ARG 515 Ca -0.23 0.91 -0.54 0.00 -0.77 0.00 0.00 57.85 57.22 1qid n ARG 515 Cb 0.55 -4.30 -0.06 0.00 -1.02 0.00 0.00 32.46 27.63 1qid n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1qid n LEU 516 N -2.92 2.73 -4.15 0.55 7.94 -1.26 -2.21 117.00 117.68 1qid n LEU 516 Ca -0.12 0.96 -0.31 0.00 -1.11 0.00 0.00 56.01 55.43 1qid n LEU 516 Cb 0.59 -1.23 -0.08 0.00 0.53 0.00 0.00 43.42 43.22 1qid n LEU 516 CO 0.61 -0.33 -0.34 0.54 -1.11 0.00 0.00 177.39 176.77 1qid n ARG 517 N 6.17 -0.88 -0.16 1.96 1.74 -1.26 -4.85 116.66 119.37 1qid n ARG 517 Ca 0.27 0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 57.39 1qid n ARG 517 Cb 0.20 -3.51 0.03 0.00 -1.02 0.00 0.00 32.46 28.15 1qid n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1qid h VAL 518 N -1.26 1.04 -0.16 1.55 -1.51 -1.81 -1.47 116.25 112.64 1qid h VAL 518 Ca -0.57 -0.20 0.05 0.00 -1.23 0.00 0.00 66.70 64.75 1qid h VAL 518 Cb 1.24 0.42 -0.07 0.00 -2.13 0.00 0.00 31.29 30.76 1qid h VAL 518 CO 0.69 0.10 -0.33 -0.61 -1.23 0.00 0.00 177.57 176.19 1qid h GLN 519 N 0.57 -0.38 -0.21 5.19 5.75 -1.89 0.78 115.11 124.93 1qid h GLN 519 Ca 0.20 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1qid h GLN 519 Cb 0.02 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1qid h GLN 519 CO -0.09 -0.25 -0.01 0.52 -2.65 0.00 0.00 178.83 176.34 1qid h MET 520 N -0.39 0.38 -0.57 1.69 2.86 -1.93 -3.06 114.93 113.90 1qid h MET 520 Ca 0.10 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1qid h MET 520 Cb 0.55 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1qid h MET 520 CO -0.38 0.59 0.38 0.00 1.06 0.00 0.00 176.91 178.56 1qid h VAL 522 N 0.52 1.23 0.11 0.00 2.07 -0.79 0.48 116.25 119.87 1qid h VAL 522 Ca 0.25 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1qid h VAL 522 Cb 0.31 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1qid h VAL 522 CO -0.07 0.33 -0.05 0.15 0.02 0.00 0.00 177.57 177.95 1qid h PHE 523 N 0.46 -0.13 0.00 1.57 3.57 -0.50 -0.65 116.94 121.27 1qid h PHE 523 Ca 0.09 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 1qid h PHE 523 Cb 0.50 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1qid h PHE 523 CO 0.02 0.17 -0.62 -1.49 -2.23 0.00 0.00 178.31 174.15 1qid h TRP 524 N -0.44 0.00 0.00 0.41 4.06 -0.84 0.33 115.95 119.47 1qid h TRP 524 Ca -0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1qid h TRP 524 Cb 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.50 1qid h TRP 524 CO 0.02 0.62 -1.85 0.09 -3.56 0.00 0.00 178.44 173.76 1qid n ASN 525 N -3.77 0.23 0.01 -3.49 3.02 0.17 -4.45 115.26 106.99 1qid n ASN 525 Ca -0.01 0.10 -0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1qid n ASN 525 Cb 0.62 1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 41.14 1qid n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qid n GLN 526 N -2.49 0.06 0.25 3.52 6.02 -0.30 -4.80 117.38 119.64 1qid n GLN 526 Ca -0.10 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 1qid n GLN 526 Cb 0.71 -0.61 -0.06 0.00 1.02 0.00 0.00 30.24 31.31 1qid n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1qid h PHE 527 N -0.11 -0.64 -0.39 1.08 3.57 -1.37 -3.01 116.94 116.08 1qid h PHE 527 Ca -0.03 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.52 1qid h PHE 527 Cb 0.50 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1qid h PHE 527 CO -0.03 -0.36 0.01 1.25 -2.23 0.00 0.00 178.31 176.95 1qid h LEU 528 N -1.14 -0.13 -1.08 0.59 5.85 -1.19 0.73 115.31 118.94 1qid h LEU 528 Ca -0.07 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1qid h LEU 528 Cb 0.57 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1qid h LEU 528 CO 0.12 -0.03 0.62 -0.65 -0.34 0.00 0.00 178.44 178.16 1qid h PRO 529 N 0.12 1.08 -0.54 5.25 0.11 -1.78 0.06 132.00 136.30 1qid h PRO 529 Ca 0.19 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1qid h PRO 529 Cb 0.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1qid h PRO 529 CO -0.31 0.71 0.06 -0.22 -0.21 0.00 0.00 178.00 178.04 1qid h LYS 530 N 1.11 0.90 0.07 1.05 3.64 -1.08 -2.04 116.57 120.23 1qid h LYS 530 Ca 0.41 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1qid h LYS 530 Cb 0.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qid h LYS 530 CO -0.16 0.89 -0.04 1.25 -2.27 0.00 0.00 179.45 179.13 1qid h LEU 531 N 0.79 -0.08 -1.66 5.20 6.46 0.07 -2.06 115.31 124.03 1qid h LEU 531 Ca 0.16 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1qid h LEU 531 Cb 0.44 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1qid h LEU 531 CO 0.01 0.01 -0.06 -0.07 -0.62 0.00 0.00 178.44 177.72 1qid h LEU 532 N -0.17 0.13 -0.21 2.25 3.38 -0.98 -0.77 115.31 118.94 1qid h LEU 532 Ca -0.01 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1qid h LEU 532 Cb 0.14 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1qid h LEU 532 CO 0.02 0.21 -0.87 -1.13 0.09 0.00 0.00 178.44 176.76 1qid h ASN 533 N 0.14 0.00 0.61 -0.43 -0.73 -1.18 -3.29 115.58 110.69 1qid h ASN 533 Ca 0.03 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.93 1qid h ASN 533 Cb 0.20 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 1qid h ASN 533 CO 0.01 0.87 -1.44 0.00 -0.37 0.00 0.00 177.43 176.50 1qid h ALA 534 N 1.13 0.45 -0.02 1.57 0.00 -1.02 -3.51 119.26 117.86 1qid h ALA 534 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1qid h ALA 534 Cb 1.57 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1qid h ALA 534 CO 0.11 1.31 0.00 0.25 0.00 0.00 0.00 179.25 180.92