#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq7 s PRO 3 N 0.00 3.53 -0.15 0.00 0.02 -1.26 -4.91 135.00 132.22 1sq7 s PRO 3 Ca 0.00 1.15 -0.22 0.00 0.02 0.00 0.00 61.00 61.95 1sq7 s PRO 3 Cb 0.00 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1sq7 s PRO 3 CO 0.00 -0.63 0.66 1.03 -0.33 0.00 0.00 177.00 177.73 1sq7 s ARG 4 N -4.00 4.30 0.18 5.54 0.52 -1.26 -5.02 118.95 119.21 1sq7 s ARG 4 Ca 0.63 0.73 -0.32 0.00 -0.52 0.00 0.00 55.73 56.25 1sq7 s ARG 4 Cb -0.14 -3.53 -0.11 0.00 0.52 0.00 0.00 34.95 31.69 1sq7 s ARG 4 CO 0.34 -0.13 1.62 0.21 0.02 0.00 0.00 175.30 177.36 1sq7 s LYS 5 N 1.50 4.18 0.28 3.54 2.20 -1.26 -4.92 119.74 125.26 1sq7 s LYS 5 Ca 0.32 2.44 -0.30 0.00 -0.36 0.00 0.00 55.97 58.07 1sq7 s LYS 5 Cb -0.16 -3.13 -0.12 0.00 -1.51 0.00 0.00 37.83 32.90 1sq7 s LYS 5 CO 0.13 -0.66 1.51 0.34 -0.36 0.00 0.00 175.35 176.31 1sq7 n PHE 6 N 3.98 2.57 -3.80 4.03 -0.00 -1.21 -4.87 117.46 118.17 1sq7 n PHE 6 Ca 0.15 0.34 -0.27 0.00 -0.00 0.00 0.00 57.45 57.66 1sq7 n PHE 6 Cb 0.37 -2.54 -0.16 0.00 -0.00 0.00 0.00 39.48 37.15 1sq7 n PHE 6 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 1sq7 s PHE 7 N -0.08 1.29 -0.28 -5.13 2.19 -0.34 -0.62 117.98 115.00 1sq7 s PHE 7 Ca 0.65 -0.93 -0.01 0.00 0.33 0.00 0.00 56.93 56.97 1sq7 s PHE 7 Cb -0.56 -1.13 0.04 0.00 -1.31 0.00 0.00 43.02 40.07 1sq7 s PHE 7 CO 0.50 -0.60 -0.02 0.08 1.83 0.00 0.00 175.22 177.01 1sq7 s VAL 8 N 1.77 2.90 0.03 3.12 1.01 -0.34 -0.84 120.40 128.05 1sq7 s VAL 8 Ca -0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1sq7 s VAL 8 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1sq7 s VAL 8 CO -0.07 -0.03 0.18 -0.83 0.00 0.00 0.00 175.10 174.35 1sq7 s GLY 9 N 1.26 2.16 -0.40 4.51 0.00 0.37 -1.99 107.32 113.23 1sq7 s GLY 9 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1sq7 s GLY 9 CO -0.02 -0.76 0.15 -0.32 0.00 0.00 0.00 173.10 172.15 1sq7 s GLY 10 N -2.21 1.92 -0.62 0.20 0.00 0.37 -0.96 107.32 106.02 1sq7 s GLY 10 Ca 0.31 -2.63 -0.27 0.00 0.00 0.00 0.00 44.72 42.12 1sq7 s GLY 10 CO 0.23 1.16 1.51 0.21 0.00 0.00 0.00 173.10 176.21 1sq7 s ASN 11 N 0.57 5.89 0.48 1.64 2.47 0.51 -0.30 114.94 126.20 1sq7 s ASN 11 Ca 0.14 0.13 0.27 0.00 0.42 0.00 0.00 52.86 53.82 1sq7 s ASN 11 Cb -0.22 -2.54 1.05 0.00 -1.45 0.00 0.00 41.25 38.09 1sq7 s ASN 11 CO -0.07 -1.94 1.87 -0.50 -3.72 0.00 0.00 177.10 172.75 1sq7 h TRP 12 N 11.93 0.00 -0.01 0.43 6.55 -1.59 -3.40 115.95 129.86 1sq7 h TRP 12 Ca -0.27 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.57 1sq7 h TRP 12 Cb 1.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1sq7 h TRP 12 CO 1.06 0.13 0.00 1.63 -1.05 0.00 0.00 178.44 180.21 1sq7 n LYS 13 N -3.27 0.00 -2.90 0.49 5.02 -1.26 -3.70 118.16 112.54 1sq7 n LYS 13 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 1sq7 n LYS 13 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1sq7 n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1sq7 n MET 14 N 0.00 3.39 -3.80 1.97 0.00 -1.26 -4.34 117.12 113.08 1sq7 n MET 14 Ca 0.00 -3.82 -0.13 0.00 -0.00 0.00 0.00 57.70 53.75 1sq7 n MET 14 Cb 0.00 -3.04 -0.12 0.00 0.00 0.00 0.00 33.22 30.06 1sq7 n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1sq7 s ASN 15 N 2.69 -0.22 0.00 6.12 0.01 -1.24 -5.16 114.94 117.15 1sq7 s ASN 15 Ca 0.43 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 1sq7 s ASN 15 Cb -0.02 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.07 1sq7 s ASN 15 CO 0.00 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1sq7 n GLY 16 N 2.90 0.13 3.31 0.66 0.00 -1.26 -4.87 105.19 106.06 1sq7 n GLY 16 Ca -0.13 -1.84 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 1sq7 n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sq7 s ASP 17 N -1.59 1.42 0.34 1.61 1.47 -1.26 -4.96 116.67 113.70 1sq7 s ASP 17 Ca 0.00 -1.59 0.12 0.00 1.18 0.00 0.00 52.55 52.26 1sq7 s ASP 17 Cb 0.00 0.43 0.95 0.00 -0.34 0.00 0.00 42.92 43.96 1sq7 s ASP 17 CO 0.00 -0.92 1.73 0.11 0.68 0.00 0.00 175.17 176.76 1sq7 h LYS 18 N 2.24 0.51 0.15 2.11 1.57 -1.98 0.77 116.57 121.93 1sq7 h LYS 18 Ca -0.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1sq7 h LYS 18 Cb 1.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1sq7 h LYS 18 CO 0.48 0.33 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.41 1sq7 h LYS 19 N 0.52 -0.19 -0.34 3.15 3.64 -1.97 -0.96 116.57 120.41 1sq7 h LYS 19 Ca 0.65 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.87 1sq7 h LYS 19 Cb 1.34 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1sq7 h LYS 19 CO -0.46 0.23 -0.44 0.66 -2.27 0.00 0.00 179.45 177.17 1sq7 h SER 20 N -0.73 0.97 0.88 4.20 4.64 -1.83 -2.18 113.55 119.50 1sq7 h SER 20 Ca -0.02 -0.47 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1sq7 h SER 20 Cb 0.52 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1sq7 h SER 20 CO 0.03 1.26 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.92 1sq7 h LEU 21 N 0.72 0.00 -0.30 5.97 4.07 -0.99 -1.95 115.31 122.82 1sq7 h LEU 21 Ca 0.04 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 1sq7 h LEU 21 Cb 1.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 1sq7 h LEU 21 CO 0.10 0.27 -0.33 1.23 -1.08 0.00 0.00 178.44 178.63 1sq7 h GLY 22 N 2.03 0.83 1.49 0.83 0.00 -0.84 -1.58 103.07 105.83 1sq7 h GLY 22 Ca -0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 47.33 46.31 1sq7 h GLY 22 CO 0.04 0.78 -0.50 0.83 0.00 0.00 0.00 176.54 177.69 1sq7 h GLU 23 N 0.52 0.55 0.18 4.80 5.08 -1.31 -1.77 114.58 122.63 1sq7 h GLU 23 Ca 0.04 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1sq7 h GLU 23 Cb 0.92 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1sq7 h GLU 23 CO 0.08 0.92 -0.09 1.25 -1.00 0.00 0.00 179.01 180.18 1sq7 h LEU 24 N 0.43 -0.20 -0.96 1.33 6.46 -1.33 -2.48 115.31 118.56 1sq7 h LEU 24 Ca 0.02 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1sq7 h LEU 24 Cb 1.02 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1sq7 h LEU 24 CO 0.09 -0.08 0.28 0.40 -0.62 0.00 0.00 178.44 178.52 1sq7 h ILE 25 N -0.31 1.24 -0.63 4.05 2.04 -1.28 -2.76 117.51 119.86 1sq7 h ILE 25 Ca -0.02 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1sq7 h ILE 25 Cb 0.24 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1sq7 h ILE 25 CO 0.04 0.30 0.24 -0.74 0.00 0.00 0.00 178.15 177.99 1sq7 h HIS 26 N 1.01 0.94 -0.39 1.37 2.76 -1.20 -1.62 115.15 118.01 1sq7 h HIS 26 Ca 0.24 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1sq7 h HIS 26 Cb 0.19 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1sq7 h HIS 26 CO 0.02 0.73 -0.18 1.15 -1.30 0.00 0.00 177.93 178.34 1sq7 h THR 27 N 0.91 1.28 -0.31 6.26 2.02 -1.21 -2.75 112.91 119.11 1sq7 h THR 27 Ca 0.21 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 65.98 1sq7 h THR 27 Cb 0.19 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1sq7 h THR 27 CO -0.02 0.44 -0.24 -0.07 0.37 0.00 0.00 175.52 176.00 1sq7 h LEU 28 N 0.61 0.62 -0.95 2.58 3.38 -1.29 -2.16 115.31 118.10 1sq7 h LEU 28 Ca 0.09 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1sq7 h LEU 28 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sq7 h LEU 28 CO 0.05 0.85 -0.36 0.78 0.09 0.00 0.00 178.44 179.86 1sq7 h ASN 29 N 0.54 0.33 0.20 -0.43 4.21 -1.24 -3.11 115.58 116.07 1sq7 h ASN 29 Ca 0.08 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.46 1sq7 h ASN 29 Cb 0.70 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1sq7 h ASN 29 CO 0.05 0.67 -0.54 0.61 -1.29 0.00 0.00 177.43 176.93 1sq7 n GLY 30 N -0.26 -0.73 3.84 2.83 0.00 -1.04 -4.97 105.19 104.86 1sq7 n GLY 30 Ca -0.01 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1sq7 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq7 s ALA 31 N -2.75 2.94 -1.06 4.61 0.00 -0.82 -4.98 121.76 119.70 1sq7 s ALA 31 Ca 0.16 0.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 1sq7 s ALA 31 Cb 0.18 -3.14 0.13 0.00 0.00 0.00 0.00 23.12 20.29 1sq7 s ALA 31 CO 0.66 -0.68 1.31 0.21 0.00 0.00 0.00 175.76 177.27 1sq7 s LYS 32 N -4.60 3.79 0.11 0.00 2.20 -1.26 -5.01 119.74 114.97 1sq7 s LYS 32 Ca 0.58 -1.97 -0.15 0.00 -0.36 0.00 0.00 55.97 54.07 1sq7 s LYS 32 Cb -0.12 -5.07 -0.07 0.00 -1.51 0.00 0.00 37.83 31.06 1sq7 s LYS 32 CO 0.44 -1.86 0.53 -0.51 -0.36 0.00 0.00 175.35 173.59 1sq7 s LEU 33 N 2.72 4.40 0.39 5.43 1.43 -1.26 -4.97 118.68 126.82 1sq7 s LEU 33 Ca 0.39 1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 1sq7 s LEU 33 Cb -0.03 -3.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 1sq7 s LEU 33 CO -0.05 0.17 1.19 -0.55 0.23 0.00 0.00 176.35 177.35 1sq7 s SER 34 N -1.50 6.56 0.45 2.29 0.15 -1.26 -4.93 113.70 115.46 1sq7 s SER 34 Ca 0.34 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.65 1sq7 s SER 34 Cb -0.16 -2.62 0.74 0.00 -1.71 0.00 0.00 66.02 62.27 1sq7 s SER 34 CO 0.18 -0.66 1.75 0.00 1.20 0.00 0.00 173.24 175.72 1sq7 h ALA 35 N 2.78 0.96 -0.00 5.45 0.00 -1.98 -3.14 119.26 123.33 1sq7 h ALA 35 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1sq7 h ALA 35 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sq7 h ALA 35 CO 0.63 0.15 -0.03 -0.25 0.00 0.00 0.00 179.25 179.74 1sq7 n ASP 36 N -3.18 0.14 -4.49 0.00 10.43 -1.26 -4.78 116.55 113.41 1sq7 n ASP 36 Ca 0.02 -0.34 -0.35 0.00 2.57 0.00 0.00 54.79 56.69 1sq7 n ASP 36 Cb 0.47 -0.20 -0.12 0.00 1.84 0.00 0.00 41.12 43.11 1sq7 n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1sq7 s THR 37 N -2.50 4.10 -0.40 -3.53 2.01 -1.19 -3.32 115.64 110.81 1sq7 s THR 37 Ca 0.30 -0.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 1sq7 s THR 37 Cb 0.20 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1sq7 s THR 37 CO 0.46 0.44 0.84 -0.70 -0.69 0.00 0.00 174.62 174.96 1sq7 s GLU 38 N 0.81 3.65 -0.14 4.92 2.12 0.21 -4.89 118.70 125.37 1sq7 s GLU 38 Ca 0.01 0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.50 1sq7 s GLU 38 Cb -0.14 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 1sq7 s GLU 38 CO 0.02 -1.00 0.11 0.08 -0.54 0.00 0.00 175.26 173.93 1sq7 s VAL 39 N 3.34 5.24 -0.02 3.70 1.01 -1.26 -1.19 120.40 131.22 1sq7 s VAL 39 Ca 0.33 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1sq7 s VAL 39 Cb -0.12 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1sq7 s VAL 39 CO 0.20 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.17 1sq7 s VAL 40 N -0.48 0.10 -0.25 2.92 1.01 -0.84 -0.98 120.40 121.87 1sq7 s VAL 40 Ca 0.11 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1sq7 s VAL 40 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1sq7 s VAL 40 CO 0.02 0.11 0.09 0.00 0.00 0.00 0.00 175.10 175.32 1sq7 s GLY 42 N 1.58 1.79 0.33 0.00 0.00 0.59 -0.82 107.32 110.79 1sq7 s GLY 42 Ca 0.06 -2.69 -0.08 0.00 0.00 0.00 0.00 44.72 42.02 1sq7 s GLY 42 CO 0.05 2.19 0.64 0.00 0.00 0.00 0.00 173.10 175.98 1sq7 s ALA 43 N 3.21 3.51 0.67 3.20 0.00 -0.92 -1.73 121.76 129.70 1sq7 s ALA 43 Ca 0.37 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1sq7 s ALA 43 Cb -0.03 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1sq7 s ALA 43 CO -0.09 0.17 1.24 -2.14 0.00 0.00 0.00 175.76 174.95 1sq7 s PRO 44 N -3.59 2.49 0.25 0.00 0.02 -1.26 -3.93 135.00 128.97 1sq7 s PRO 44 Ca 0.47 1.90 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 1sq7 s PRO 44 Cb -0.11 -1.86 0.33 0.00 0.02 0.00 0.00 34.50 32.89 1sq7 s PRO 44 CO 0.29 -1.60 1.88 0.66 -0.33 0.00 0.00 177.00 177.90 1sq7 h SER 45 N 0.30 0.97 0.43 2.53 4.64 -1.95 -1.28 113.55 119.18 1sq7 h SER 45 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1sq7 h SER 45 Cb 1.31 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1sq7 h SER 45 CO 0.52 0.64 0.00 -0.29 -0.87 0.00 0.00 176.83 176.84 1sq7 h ILE 46 N 1.12 0.00 -0.11 0.95 2.10 -2.03 -2.82 117.51 116.72 1sq7 h ILE 46 Ca 0.39 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.15 1sq7 h ILE 46 Cb 0.09 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1sq7 h ILE 46 CO -0.15 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.70 1sq7 n TYR 47 N -2.57 0.23 -0.03 2.19 0.53 -0.52 -4.80 117.16 112.20 1sq7 n TYR 47 Ca -0.00 -0.70 -0.12 0.00 -1.02 0.00 0.00 57.90 56.05 1sq7 n TYR 47 Cb 0.15 -0.12 -0.07 0.00 -1.03 0.00 0.00 39.34 38.27 1sq7 n TYR 47 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1sq7 h LEU 48 N 0.66 0.15 -0.03 7.72 3.38 -1.19 -1.06 115.31 124.94 1sq7 h LEU 48 Ca 0.00 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1sq7 h LEU 48 Cb 0.84 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1sq7 h LEU 48 CO 0.03 0.44 -0.08 -0.78 0.09 0.00 0.00 178.44 178.15 1sq7 h ASP 49 N -0.15 -0.23 -0.90 -0.43 -0.00 -1.86 -1.74 116.42 111.12 1sq7 h ASP 49 Ca 0.02 0.04 0.04 0.00 -0.00 0.00 0.00 57.03 57.13 1sq7 h ASP 49 Cb 0.37 0.11 -0.05 0.00 -0.00 0.00 0.00 39.33 39.75 1sq7 h ASP 49 CO 0.01 -0.11 0.58 0.15 -0.00 0.00 0.00 179.24 179.86 1sq7 h PHE 50 N -0.12 1.09 -0.40 0.28 3.04 -1.87 -2.15 116.94 116.80 1sq7 h PHE 50 Ca 0.04 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 1sq7 h PHE 50 Cb 0.18 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 1sq7 h PHE 50 CO -0.16 0.61 -0.13 0.00 -2.02 0.00 0.00 178.31 176.62 1sq7 h ALA 51 N 1.38 0.56 -0.65 2.41 0.00 -0.99 -2.16 119.26 119.81 1sq7 h ALA 51 Ca 0.36 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sq7 h ALA 51 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sq7 h ALA 51 CO -0.13 0.46 0.22 -0.09 0.00 0.00 0.00 179.25 179.71 1sq7 h ARG 52 N 0.61 0.98 0.16 0.00 9.65 -0.99 -0.87 114.38 123.91 1sq7 h ARG 52 Ca 0.10 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1sq7 h ARG 52 Cb 0.66 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1sq7 h ARG 52 CO 0.05 0.83 -0.08 1.96 2.80 0.00 0.00 179.97 185.53 1sq7 h GLN 53 N 0.95 -0.21 -0.29 0.20 4.20 -1.27 -3.33 115.11 115.36 1sq7 h GLN 53 Ca 0.21 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 1sq7 h GLN 53 Cb 0.25 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1sq7 h GLN 53 CO -0.01 0.09 -0.31 0.87 -0.67 0.00 0.00 178.83 178.81 1sq7 h LYS 54 N -0.52 0.72 -6.87 1.46 1.79 -1.33 -3.45 116.57 108.37 1sq7 h LYS 54 Ca -0.02 -0.38 -0.52 0.00 -2.18 0.00 0.00 60.65 57.55 1sq7 h LYS 54 Cb 0.40 0.02 0.05 0.00 -1.58 0.00 0.00 32.23 31.12 1sq7 h LYS 54 CO 0.04 1.00 0.57 -0.51 -1.08 0.00 0.00 179.45 179.47 1sq7 s LEU 55 N -8.95 4.42 0.73 2.94 1.43 -0.34 -4.98 118.68 113.93 1sq7 s LEU 55 Ca -0.12 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.35 1sq7 s LEU 55 Cb 0.09 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1sq7 s LEU 55 CO 0.83 -0.46 1.22 -1.81 0.23 0.00 0.00 176.35 176.36 1sq7 s ASP 56 N -0.69 4.17 0.47 2.29 1.01 -1.26 -4.89 116.67 117.77 1sq7 s ASP 56 Ca 0.49 2.41 0.14 0.00 0.71 0.00 0.00 52.55 56.30 1sq7 s ASP 56 Cb -0.36 -2.59 1.10 0.00 1.01 0.00 0.00 42.92 42.08 1sq7 s ASP 56 CO 0.48 -2.28 2.08 0.00 0.21 0.00 0.00 175.17 175.65 1sq7 h ALA 57 N -0.23 1.95 0.00 5.23 0.00 -1.94 -2.56 119.26 121.71 1sq7 h ALA 57 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1sq7 h ALA 57 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sq7 h ALA 57 CO 0.50 0.01 -0.11 1.57 0.00 0.00 0.00 179.25 181.21 1sq7 h LYS 58 N 0.25 0.00 -5.37 0.00 2.10 -1.98 -3.40 116.57 108.17 1sq7 h LYS 58 Ca 0.12 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.16 1sq7 h LYS 58 Cb 0.16 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.37 1sq7 h LYS 58 CO -0.02 0.11 -0.08 0.42 -2.00 0.00 0.00 179.45 177.88 1sq7 s ILE 59 N -4.64 5.11 0.88 0.07 1.01 -0.96 -4.65 121.20 118.02 1sq7 s ILE 59 Ca -0.04 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1sq7 s ILE 59 Cb 0.15 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.94 1sq7 s ILE 59 CO 0.65 0.14 1.10 -0.83 0.00 0.00 0.00 174.94 175.99 1sq7 s GLY 60 N 1.41 1.61 -0.03 6.18 0.00 -0.15 -4.78 107.32 111.57 1sq7 s GLY 60 Ca 0.21 -0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.79 1sq7 s GLY 60 CO 0.09 0.31 -0.16 0.14 0.00 0.00 0.00 173.10 173.48 1sq7 s VAL 61 N -3.04 1.33 -0.03 1.40 1.01 -1.26 -1.37 120.40 118.45 1sq7 s VAL 61 Ca 0.63 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1sq7 s VAL 61 Cb -0.17 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1sq7 s VAL 61 CO 0.56 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.89 1sq7 s ALA 62 N -0.17 1.31 0.55 5.51 0.00 -0.00 -2.61 121.76 126.35 1sq7 s ALA 62 Ca 0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 1sq7 s ALA 62 Cb -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 1sq7 s ALA 62 CO 0.01 0.27 1.07 0.00 0.00 0.00 0.00 175.76 177.11 1sq7 s ALA 63 N -0.13 2.76 -0.99 0.00 0.00 -0.99 -2.16 121.76 120.24 1sq7 s ALA 63 Ca 0.01 0.57 0.25 0.00 0.00 0.00 0.00 51.96 52.79 1sq7 s ALA 63 Cb -0.08 -3.27 0.59 0.00 0.00 0.00 0.00 23.12 20.35 1sq7 s ALA 63 CO 0.01 -0.66 1.48 1.04 0.00 0.00 0.00 175.76 177.62 1sq7 n GLN 64 N -1.53 0.01 -3.64 0.00 6.02 -1.25 -0.61 117.38 116.37 1sq7 n GLN 64 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1sq7 n GLN 64 Cb 0.52 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 1sq7 n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1sq7 s ASN 65 N -3.03 -0.04 0.33 1.08 2.47 -1.21 -4.48 114.94 110.06 1sq7 s ASN 65 Ca 0.11 0.04 -0.06 0.00 0.42 0.00 0.00 52.86 53.38 1sq7 s ASN 65 Cb 0.18 0.03 0.01 0.00 -1.45 0.00 0.00 41.25 40.02 1sq7 s ASN 65 CO 0.68 -0.04 0.51 0.00 -3.72 0.00 0.00 177.10 174.54 1sq7 s TYR 67 N -3.11 1.43 -2.76 0.00 5.04 -0.55 -4.98 117.35 112.42 1sq7 s TYR 67 Ca 0.27 -0.79 0.25 0.00 -2.44 0.00 0.00 57.07 54.37 1sq7 s TYR 67 Cb -0.01 -2.09 0.55 0.00 0.35 0.00 0.00 41.96 40.77 1sq7 s TYR 67 CO 0.17 -0.92 1.46 0.36 -1.34 0.00 0.00 175.55 175.29 1sq7 n LYS 68 N -2.08 2.06 -4.25 4.97 2.85 -1.26 -4.55 118.16 115.90 1sq7 n LYS 68 Ca 0.09 -1.54 -0.14 0.00 -1.05 0.00 0.00 58.31 55.67 1sq7 n LYS 68 Cb 0.63 -1.47 -0.10 0.00 -0.65 0.00 0.00 35.03 33.44 1sq7 n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1sq7 s VAL 69 N -1.97 0.89 0.11 0.58 -7.23 -1.26 -4.77 120.40 106.74 1sq7 s VAL 69 Ca 0.33 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 1sq7 s VAL 69 Cb 0.20 -2.02 -0.13 0.00 0.56 0.00 0.00 36.38 35.00 1sq7 s VAL 69 CO 0.31 -0.58 1.35 -0.65 -0.31 0.00 0.00 175.10 175.22 1sq7 h PRO 70 N 2.72 0.81 -4.02 4.82 0.11 -1.98 -3.43 132.00 131.02 1sq7 h PRO 70 Ca -0.37 -0.58 -0.12 0.00 0.11 0.00 0.00 66.00 65.04 1sq7 h PRO 70 Cb 1.20 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.27 1sq7 h PRO 70 CO 0.64 1.20 -0.42 -1.59 -0.21 0.00 0.00 178.00 177.61 1sq7 s LYS 71 N -3.94 1.02 0.00 1.05 -2.85 -1.26 -4.60 119.74 109.16 1sq7 s LYS 71 Ca -0.11 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1sq7 s LYS 71 Cb 0.09 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1sq7 s LYS 71 CO 0.89 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 176.41 1sq7 n GLY 72 N -0.14 -0.96 2.89 0.59 0.00 -1.26 -5.00 105.19 101.30 1sq7 n GLY 72 Ca -0.09 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1sq7 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq7 n ALA 73 N -0.42 5.22 -3.35 4.61 0.00 -1.26 -4.72 120.51 120.58 1sq7 n ALA 73 Ca 0.00 -4.00 -0.26 0.00 0.00 0.00 0.00 53.44 49.18 1sq7 n ALA 73 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 19.45 15.97 1sq7 n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sq7 n PHE 74 N 5.80 -0.36 -1.69 0.00 3.72 -1.26 -5.11 117.46 118.56 1sq7 n PHE 74 Ca 0.48 -3.48 -0.44 0.00 -0.05 0.00 0.00 57.45 53.97 1sq7 n PHE 74 Cb 0.39 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1sq7 n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1sq7 n THR 75 N 2.23 1.03 -0.25 4.37 -1.04 -1.26 -2.24 114.28 117.12 1sq7 n THR 75 Ca 0.26 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sq7 n THR 75 Cb 0.49 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1sq7 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sq7 n GLY 76 N 2.07 1.14 3.69 3.41 0.00 -1.26 -5.05 105.19 109.19 1sq7 n GLY 76 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1sq7 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sq7 s GLU 77 N -0.49 2.55 0.20 1.61 0.41 -0.95 -5.14 118.70 116.89 1sq7 s GLU 77 Ca 0.00 -0.87 0.10 0.00 -0.41 0.00 0.00 54.97 53.79 1sq7 s GLU 77 Cb 0.00 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 1sq7 s GLU 77 CO 0.00 0.53 -0.15 0.96 -0.49 0.00 0.00 175.26 176.11 1sq7 s ILE 78 N -1.39 2.85 0.31 -1.63 -4.36 -1.26 -5.01 121.20 110.71 1sq7 s ILE 78 Ca 0.26 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.86 1sq7 s ILE 78 Cb -0.11 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1sq7 s ILE 78 CO 0.19 -0.16 0.12 -0.94 0.24 0.00 0.00 174.94 174.39 1sq7 s SER 79 N -2.89 4.78 0.46 4.36 1.04 -1.26 -1.49 113.70 118.71 1sq7 s SER 79 Ca 0.24 -0.66 0.17 0.00 0.48 0.00 0.00 55.95 56.18 1sq7 s SER 79 Cb -0.08 -0.85 1.14 0.00 0.10 0.00 0.00 66.02 66.32 1sq7 s SER 79 CO 0.14 -0.19 1.99 -0.65 0.98 0.00 0.00 173.24 175.50 1sq7 h PRO 80 N 1.61 0.27 -0.24 4.02 0.11 -1.82 -2.44 132.00 133.51 1sq7 h PRO 80 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1sq7 h PRO 80 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1sq7 h PRO 80 CO 0.62 0.18 -0.05 0.00 -0.21 0.00 0.00 178.00 178.54 1sq7 h ALA 81 N 1.72 1.47 -0.08 -0.75 0.00 -1.92 -0.44 119.26 119.27 1sq7 h ALA 81 Ca 0.26 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1sq7 h ALA 81 Cb 0.64 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1sq7 h ALA 81 CO -0.06 0.37 -0.88 0.52 0.00 0.00 0.00 179.25 179.21 1sq7 h MET 82 N 0.36 0.73 -0.52 0.00 2.86 -1.78 -2.29 114.93 114.29 1sq7 h MET 82 Ca 0.08 -0.68 -0.05 0.00 -2.06 0.00 0.00 59.70 56.98 1sq7 h MET 82 Cb 0.32 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1sq7 h MET 82 CO 0.01 1.28 0.11 0.82 1.06 0.00 0.00 176.91 180.19 1sq7 h ILE 83 N 0.44 1.22 -0.14 -1.22 2.04 -1.20 -2.38 117.51 116.27 1sq7 h ILE 83 Ca -0.09 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.81 1sq7 h ILE 83 Cb 1.52 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1sq7 h ILE 83 CO 0.18 0.30 -0.55 0.50 0.00 0.00 0.00 178.15 178.58 1sq7 h LYS 84 N 0.76 0.42 -0.05 2.37 3.64 -1.12 -2.46 116.57 120.12 1sq7 h LYS 84 Ca 0.17 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1sq7 h LYS 84 Cb 0.30 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1sq7 h LYS 84 CO 0.00 0.86 -0.32 0.22 -2.27 0.00 0.00 179.45 177.94 1sq7 h ASP 85 N 0.32 0.09 -0.39 4.20 3.58 -0.90 -2.65 116.42 120.68 1sq7 h ASP 85 Ca 0.01 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1sq7 h ASP 85 Cb 1.06 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1sq7 h ASP 85 CO 0.10 0.41 0.00 2.30 -2.88 0.00 0.00 179.24 179.17 1sq7 n ILE 86 N -4.14 0.51 -0.40 2.25 -6.64 -1.02 -4.96 119.36 104.97 1sq7 n ILE 86 Ca -0.02 -0.60 0.00 0.00 -1.77 0.00 0.00 62.75 60.37 1sq7 n ILE 86 Cb 0.38 0.47 0.00 0.00 -1.44 0.00 0.00 39.64 39.05 1sq7 n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1sq7 n GLY 87 N 1.29 0.75 3.80 3.28 0.00 -1.00 -4.76 105.19 108.56 1sq7 n GLY 87 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1sq7 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq7 s ALA 88 N -2.43 3.25 -0.52 4.61 0.00 -0.93 -4.89 121.76 120.86 1sq7 s ALA 88 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1sq7 s ALA 88 Cb 0.00 -3.03 0.09 0.00 0.00 0.00 0.00 23.12 20.18 1sq7 s ALA 88 CO 0.00 0.23 0.88 0.00 0.00 0.00 0.00 175.76 176.87 1sq7 n ALA 89 N 0.31 2.29 -2.26 0.00 0.00 -1.11 -4.16 120.51 115.58 1sq7 n ALA 89 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 1sq7 n ALA 89 Cb 0.51 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 1sq7 n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sq7 s TRP 90 N -0.70 1.33 -0.19 0.00 0.52 -1.07 -0.99 118.94 117.83 1sq7 s TRP 90 Ca 0.08 -1.20 -0.16 0.00 0.02 0.00 0.00 56.10 54.84 1sq7 s TRP 90 Cb 0.05 -0.74 0.05 0.00 -1.15 0.00 0.00 33.47 31.68 1sq7 s TRP 90 CO 0.07 -0.40 0.51 0.54 0.02 0.00 0.00 176.95 177.68 1sq7 s VAL 91 N -3.86 -0.01 -0.24 4.03 0.11 -0.28 -2.35 120.40 117.79 1sq7 s VAL 91 Ca 0.34 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 1sq7 s VAL 91 Cb 0.07 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1sq7 s VAL 91 CO 0.10 0.01 0.43 -0.63 -3.33 0.00 0.00 175.10 171.68 1sq7 s ILE 92 N 0.62 5.15 0.06 7.04 1.01 0.22 -1.36 121.20 133.94 1sq7 s ILE 92 Ca -0.03 0.72 0.06 0.00 0.00 0.00 0.00 60.65 61.40 1sq7 s ILE 92 Cb -0.05 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1sq7 s ILE 92 CO -0.04 0.17 -0.16 -0.76 0.00 0.00 0.00 174.94 174.15 1sq7 s LEU 93 N 1.89 2.22 -0.80 2.97 1.43 -0.89 -3.31 118.68 122.19 1sq7 s LEU 93 Ca 0.18 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1sq7 s LEU 93 Cb -0.15 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1sq7 s LEU 93 CO 0.09 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1sq7 n GLY 94 N 1.59 0.95 3.66 -3.19 0.00 -1.26 -1.09 105.19 105.84 1sq7 n GLY 94 Ca -0.19 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1sq7 n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sq7 n HIS 95 N -2.71 1.60 -0.17 1.61 -0.00 -1.26 -4.41 115.22 109.89 1sq7 n HIS 95 Ca -0.08 0.51 0.15 0.00 0.46 0.00 0.00 57.72 58.76 1sq7 n HIS 95 Cb 0.29 -2.29 0.50 0.00 -0.12 0.00 0.00 29.99 28.36 1sq7 n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1sq7 h SER 96 N 1.63 0.41 0.05 0.26 4.64 -1.94 -0.99 113.55 117.60 1sq7 h SER 96 Ca -0.47 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 1sq7 h SER 96 Cb 1.32 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1sq7 h SER 96 CO 0.57 0.21 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.02 1sq7 h GLU 97 N 0.43 0.46 -0.26 4.77 5.08 -1.99 -1.09 114.58 121.99 1sq7 h GLU 97 Ca 0.37 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1sq7 h GLU 97 Cb 0.81 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1sq7 h GLU 97 CO -0.12 0.78 -0.36 0.00 -1.00 0.00 0.00 179.01 178.31 1sq7 h ARG 98 N 0.38 0.57 -0.23 2.33 2.47 -1.54 -1.96 114.38 116.40 1sq7 h ARG 98 Ca 0.04 -0.27 -0.20 0.00 -1.26 0.00 0.00 59.98 58.29 1sq7 h ARG 98 Cb 0.86 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1sq7 h ARG 98 CO 0.07 0.85 -0.63 0.00 0.56 0.00 0.00 179.97 180.82 1sq7 h ARG 99 N 0.48 0.80 0.00 0.04 3.08 -1.16 -2.06 114.38 115.56 1sq7 h ARG 99 Ca 0.05 -0.56 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 1sq7 h ARG 99 Cb 0.85 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1sq7 h ARG 99 CO 0.07 1.19 -0.88 1.58 -1.07 0.00 0.00 179.97 180.86 1sq7 n HIS 100 N -3.97 0.71 -0.13 3.04 -0.00 -0.44 -2.91 115.22 111.52 1sq7 n HIS 100 Ca -0.05 0.31 -0.12 0.00 0.46 0.00 0.00 57.72 58.32 1sq7 n HIS 100 Cb 0.67 -0.80 -0.02 0.00 -0.12 0.00 0.00 29.99 29.72 1sq7 n HIS 100 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1sq7 h VAL 101 N -1.00 1.28 -0.26 3.57 2.07 -1.56 -3.31 116.25 117.03 1sq7 h VAL 101 Ca -0.11 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1sq7 h VAL 101 Cb 0.82 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1sq7 h VAL 101 CO -0.07 0.42 0.00 0.49 0.02 0.00 0.00 177.57 178.43 1sq7 n PHE 102 N -4.30 0.82 -3.66 1.57 3.72 -1.16 -5.02 117.46 109.45 1sq7 n PHE 102 Ca -0.02 -0.81 -0.28 0.00 -0.05 0.00 0.00 57.45 56.29 1sq7 n PHE 102 Cb 0.40 -0.26 -0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1sq7 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sq7 n GLY 103 N -0.37 -0.48 3.67 1.37 0.00 -1.09 -4.87 105.19 103.42 1sq7 n GLY 103 Ca 0.19 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1sq7 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sq7 s GLU 104 N -6.33 4.26 0.64 1.61 2.02 -0.80 -4.98 118.70 115.13 1sq7 s GLU 104 Ca 0.53 1.69 -0.07 0.00 0.02 0.00 0.00 54.97 57.14 1sq7 s GLU 104 Cb -0.28 -3.72 0.03 0.00 0.10 0.00 0.00 34.13 30.26 1sq7 s GLU 104 CO 0.65 -0.65 0.96 -1.54 0.02 0.00 0.00 175.26 174.71 1sq7 s SER 105 N 1.90 5.32 0.37 -0.19 1.04 -1.26 -4.47 113.70 116.41 1sq7 s SER 105 Ca 0.56 0.69 0.04 0.00 0.48 0.00 0.00 55.95 57.72 1sq7 s SER 105 Cb -0.23 -1.54 0.70 0.00 0.10 0.00 0.00 66.02 65.05 1sq7 s SER 105 CO 0.17 -1.28 2.00 0.44 0.98 0.00 0.00 173.24 175.55 1sq7 h ASP 106 N -0.38 0.59 0.08 7.02 3.32 -1.99 -1.71 116.42 123.36 1sq7 h ASP 106 Ca -0.45 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1sq7 h ASP 106 Cb 1.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1sq7 h ASP 106 CO 0.61 0.48 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.24 1sq7 h GLU 107 N 0.68 -0.11 -0.97 3.56 5.08 -1.93 -1.25 114.58 119.64 1sq7 h GLU 107 Ca 0.18 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1sq7 h GLU 107 Cb 0.01 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1sq7 h GLU 107 CO -0.03 0.24 0.63 1.25 -1.00 0.00 0.00 179.01 180.10 1sq7 h LEU 108 N -0.47 1.07 -0.70 1.33 5.85 -1.91 -0.69 115.31 119.78 1sq7 h LEU 108 Ca -0.01 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1sq7 h LEU 108 Cb 0.40 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1sq7 h LEU 108 CO 0.02 0.74 0.10 0.40 -0.34 0.00 0.00 178.44 179.36 1sq7 h ILE 109 N 1.24 1.26 -0.49 4.05 2.04 -1.26 -1.17 117.51 123.18 1sq7 h ILE 109 Ca 0.38 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 1sq7 h ILE 109 Cb -0.04 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1sq7 h ILE 109 CO -0.11 0.39 -0.05 1.23 0.00 0.00 0.00 178.15 179.61 1sq7 h GLY 110 N 1.04 0.92 1.17 5.37 0.00 -0.61 -0.45 103.07 110.51 1sq7 h GLY 110 Ca 0.20 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1sq7 h GLY 110 CO 0.01 0.61 -0.02 1.46 0.00 0.00 0.00 176.54 178.61 1sq7 h GLN 111 N 0.78 0.99 -0.41 4.80 4.20 -0.92 -2.10 115.11 122.45 1sq7 h GLN 111 Ca 0.14 -0.31 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 1sq7 h GLN 111 Cb 0.54 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1sq7 h GLN 111 CO 0.03 0.99 -0.32 0.87 -0.67 0.00 0.00 178.83 179.73 1sq7 h LYS 112 N 0.91 0.92 -0.42 1.46 1.57 -0.92 -2.49 116.57 117.60 1sq7 h LYS 112 Ca 0.16 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1sq7 h LYS 112 Cb 0.56 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1sq7 h LYS 112 CO 0.03 1.10 0.02 0.28 -0.57 0.00 0.00 179.45 180.31 1sq7 h VAL 113 N 0.77 1.26 -0.26 0.50 2.07 -0.99 -0.97 116.25 118.63 1sq7 h VAL 113 Ca 0.08 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1sq7 h VAL 113 Cb 0.90 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1sq7 h VAL 113 CO 0.08 0.33 0.13 0.00 0.02 0.00 0.00 177.57 178.14 1sq7 h ALA 114 N 0.91 0.31 -0.31 1.67 0.00 -1.33 -1.98 119.26 118.53 1sq7 h ALA 114 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1sq7 h ALA 114 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sq7 h ALA 114 CO 0.02 -0.26 -0.11 1.25 0.00 0.00 0.00 179.25 180.15 1sq7 h HIS 115 N 0.28 0.71 -0.53 0.00 6.17 -1.36 -2.44 115.15 117.99 1sq7 h HIS 115 Ca 0.11 -0.16 -0.00 0.00 0.71 0.00 0.00 60.37 61.02 1sq7 h HIS 115 Cb 0.02 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 29.76 1sq7 h HIS 115 CO -0.09 0.82 0.32 0.00 0.71 0.00 0.00 177.93 179.70 1sq7 h ALA 116 N 0.78 0.67 -0.55 5.26 0.00 -1.05 -1.84 119.26 122.54 1sq7 h ALA 116 Ca 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1sq7 h ALA 116 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sq7 h ALA 116 CO 0.04 0.15 -0.08 -0.07 0.00 0.00 0.00 179.25 179.28 1sq7 h LEU 117 N 0.71 1.03 -1.17 0.00 3.38 -1.37 -2.07 115.31 115.81 1sq7 h LEU 117 Ca 0.19 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1sq7 h LEU 117 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1sq7 h LEU 117 CO -0.04 1.13 -0.30 0.00 0.09 0.00 0.00 178.44 179.32 1sq7 h ALA 118 N 0.94 1.31 -0.00 1.53 0.00 -1.17 -2.48 119.26 119.38 1sq7 h ALA 118 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sq7 h ALA 118 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sq7 h ALA 118 CO 0.04 0.48 -0.01 0.39 0.00 0.00 0.00 179.25 180.15 1sq7 n GLU 119 N -4.13 0.76 0.00 0.00 -0.58 -0.71 -4.92 120.64 111.05 1sq7 n GLU 119 Ca -0.01 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1sq7 n GLU 119 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1sq7 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sq7 n GLY 120 N 1.15 0.40 3.83 0.62 0.00 -0.93 -4.94 105.19 105.31 1sq7 n GLY 120 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1sq7 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq7 s LEU 121 N 0.00 2.91 0.19 0.99 1.43 -0.79 -5.00 118.68 118.41 1sq7 s LEU 121 Ca 0.00 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1sq7 s LEU 121 Cb 0.00 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 1sq7 s LEU 121 CO 0.00 -1.56 0.38 -0.83 0.23 0.00 0.00 176.35 174.56 1sq7 s GLY 122 N -3.96 1.84 -0.08 -3.19 0.00 -0.16 -4.27 107.32 97.50 1sq7 s GLY 122 Ca 0.59 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.50 1sq7 s GLY 122 CO 0.54 -0.78 -0.11 0.14 0.00 0.00 0.00 173.10 172.89 1sq7 s VAL 123 N -1.83 1.12 -0.73 1.40 1.01 -0.46 -1.13 120.40 119.78 1sq7 s VAL 123 Ca 0.38 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1sq7 s VAL 123 Cb -0.11 -1.05 0.17 0.00 0.00 0.00 0.00 36.38 35.39 1sq7 s VAL 123 CO 0.29 0.36 0.72 -0.63 0.00 0.00 0.00 175.10 175.84 1sq7 s ILE 124 N 0.93 5.31 -0.00 2.22 1.01 -0.47 -0.82 121.20 129.38 1sq7 s ILE 124 Ca -0.10 -1.93 -0.26 0.00 0.00 0.00 0.00 60.65 58.37 1sq7 s ILE 124 Cb -0.15 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1sq7 s ILE 124 CO 0.01 -1.05 0.82 0.00 0.00 0.00 0.00 174.94 174.72 1sq7 s ALA 125 N 1.13 3.28 -0.09 9.38 0.00 -0.31 -2.09 121.76 133.07 1sq7 s ALA 125 Ca 0.14 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1sq7 s ALA 125 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1sq7 s ALA 125 CO -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 175.76 175.54 1sq7 s ILE 127 N -0.45 0.70 0.00 0.00 -4.36 -0.65 -4.57 121.20 111.87 1sq7 s ILE 127 Ca 0.06 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1sq7 s ILE 127 Cb -0.12 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.76 1sq7 s ILE 127 CO 0.02 -0.74 0.00 0.61 0.24 0.00 0.00 174.94 175.07 1sq7 n GLY 128 N -0.11 2.72 3.84 6.27 0.00 -1.26 -0.17 105.19 116.48 1sq7 n GLY 128 Ca -0.10 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1sq7 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sq7 s GLU 129 N -1.76 3.96 0.95 1.61 1.03 -1.25 -4.83 118.70 118.41 1sq7 s GLU 129 Ca 0.00 0.45 -0.16 0.00 0.03 0.00 0.00 54.97 55.29 1sq7 s GLU 129 Cb 0.00 -3.09 0.23 0.00 -0.80 0.00 0.00 34.13 30.47 1sq7 s GLU 129 CO 0.00 0.59 1.08 1.63 -1.33 0.00 0.00 175.26 177.22 1sq7 n LYS 130 N 1.29 -1.87 0.11 -4.83 5.02 -1.26 -2.46 118.16 114.16 1sq7 n LYS 130 Ca -0.09 -1.68 -0.13 0.00 -2.02 0.00 0.00 58.31 54.38 1sq7 n LYS 130 Cb 0.52 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 34.15 1sq7 n LYS 130 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sq7 h LEU 131 N 0.00 -0.21 -2.36 -0.35 5.85 -1.85 -2.23 115.31 114.17 1sq7 h LEU 131 Ca -0.37 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1sq7 h LEU 131 Cb 1.06 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1sq7 h LEU 131 CO 0.25 -0.00 -0.03 -2.24 -0.34 0.00 0.00 178.44 176.08 1sq7 h ASP 132 N -0.41 0.00 0.17 1.25 2.03 -1.97 -0.57 116.42 116.93 1sq7 h ASP 132 Ca -0.02 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.02 1sq7 h ASP 132 Cb 0.31 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.83 1sq7 h ASP 132 CO 0.04 0.03 -1.20 -0.33 -1.03 0.00 0.00 179.24 176.75 1sq7 h GLU 133 N 0.00 0.36 -0.75 4.15 5.08 -1.91 -2.65 114.58 118.87 1sq7 h GLU 133 Ca -0.00 -0.62 -0.05 0.00 -1.00 0.00 0.00 59.36 57.68 1sq7 h GLU 133 Cb 0.08 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1sq7 h GLU 133 CO 0.00 1.30 0.25 -0.09 -1.00 0.00 0.00 179.01 179.47 1sq7 h ARG 134 N -0.18 1.15 -0.57 2.33 9.65 -1.07 -2.16 114.38 123.52 1sq7 h ARG 134 Ca -0.22 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.31 1sq7 h ARG 134 Cb 1.85 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 30.24 1sq7 h ARG 134 CO 0.17 0.97 -0.07 0.93 2.80 0.00 0.00 179.97 184.76 1sq7 h GLU 135 N 1.10 1.06 0.00 0.20 5.08 -1.21 -2.75 114.58 118.06 1sq7 h GLU 135 Ca 0.24 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1sq7 h GLU 135 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1sq7 h GLU 135 CO -0.01 1.07 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 1sq7 n ALA 136 N -2.50 1.82 -0.60 3.43 0.00 -1.00 -4.91 120.51 116.76 1sq7 n ALA 136 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1sq7 n ALA 136 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1sq7 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sq7 n GLY 137 N 0.33 0.73 2.00 0.00 0.00 -0.96 -4.96 105.19 102.33 1sq7 n GLY 137 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1sq7 n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sq7 n ILE 138 N -2.43 2.84 -0.04 -0.61 -5.35 -0.86 -4.63 119.36 108.27 1sq7 n ILE 138 Ca 0.00 -1.67 -0.08 0.00 -0.27 0.00 0.00 62.75 60.73 1sq7 n ILE 138 Cb 0.00 -0.70 -0.02 0.00 -1.74 0.00 0.00 39.64 37.18 1sq7 n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1sq7 h THR 139 N 0.83 0.59 -0.35 7.28 2.02 -1.88 -2.50 112.91 118.89 1sq7 h THR 139 Ca 0.50 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.75 1sq7 h THR 139 Cb 2.18 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 69.11 1sq7 h THR 139 CO 0.94 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 176.44 1sq7 h GLU 140 N -0.13 0.02 -0.54 6.66 5.08 -1.95 -2.11 114.58 121.60 1sq7 h GLU 140 Ca 0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sq7 h GLU 140 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1sq7 h GLU 140 CO -0.31 0.02 0.29 -0.22 -1.00 0.00 0.00 179.01 177.79 1sq7 h LYS 141 N 0.02 0.75 0.00 2.33 3.64 -1.85 -1.61 116.57 119.85 1sq7 h LYS 141 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1sq7 h LYS 141 Cb 0.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1sq7 h LYS 141 CO -0.34 0.55 -0.09 0.28 -2.27 0.00 0.00 179.45 177.58 1sq7 h VAL 142 N 0.75 1.63 0.00 2.00 2.07 -1.07 -2.72 116.25 118.91 1sq7 h VAL 142 Ca 0.19 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1sq7 h VAL 142 Cb 0.03 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1sq7 h VAL 142 CO -0.03 0.52 -0.06 -0.37 0.02 0.00 0.00 177.57 177.65 1sq7 h VAL 143 N -0.72 0.12 0.00 2.57 -1.51 -1.39 -1.50 116.25 113.82 1sq7 h VAL 143 Ca -0.01 -0.85 -0.18 0.00 -1.23 0.00 0.00 66.70 64.43 1sq7 h VAL 143 Cb 0.90 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 1sq7 h VAL 143 CO 0.02 0.05 -0.84 -0.26 -1.23 0.00 0.00 177.57 175.32 1sq7 h PHE 144 N 0.00 0.07 -0.08 5.19 0.05 -1.38 -1.74 116.94 119.05 1sq7 h PHE 144 Ca -0.00 -0.04 -0.12 0.00 3.82 0.00 0.00 57.97 61.63 1sq7 h PHE 144 Cb 0.76 -0.01 0.01 0.00 2.00 0.00 0.00 35.95 38.71 1sq7 h PHE 144 CO 0.00 0.86 -0.41 1.49 -0.18 0.00 0.00 178.31 180.07 1sq7 h GLU 145 N 0.03 0.43 -0.56 1.51 4.81 -1.10 -1.96 114.58 117.72 1sq7 h GLU 145 Ca -0.02 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.76 1sq7 h GLU 145 Cb 1.47 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 1sq7 h GLU 145 CO 0.11 0.98 -0.07 1.96 -0.73 0.00 0.00 179.01 181.27 1sq7 h GLN 146 N -0.03 1.04 -0.19 1.92 4.20 -1.36 -2.36 115.11 118.33 1sq7 h GLN 146 Ca -0.03 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.20 1sq7 h GLN 146 Cb 1.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1sq7 h GLN 146 CO 0.08 1.06 -0.38 1.15 -0.67 0.00 0.00 178.83 180.08 1sq7 h THR 147 N 0.93 1.30 -0.50 -0.54 2.02 -1.37 -2.91 112.91 111.83 1sq7 h THR 147 Ca 0.15 -1.50 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 1sq7 h THR 147 Cb 0.63 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1sq7 h THR 147 CO 0.04 0.46 -0.03 0.50 0.37 0.00 0.00 175.52 176.86 1sq7 h LYS 148 N 0.35 0.91 0.00 6.66 3.64 -1.22 0.96 116.57 127.88 1sq7 h LYS 148 Ca 0.04 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1sq7 h LYS 148 Cb 0.83 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1sq7 h LYS 148 CO 0.07 0.96 -0.11 0.00 -2.27 0.00 0.00 179.45 178.09 1sq7 h ALA 149 N 0.92 1.66 0.05 5.00 0.00 -1.30 -0.79 119.26 124.81 1sq7 h ALA 149 Ca 0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1sq7 h ALA 149 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sq7 h ALA 149 CO 0.03 0.14 -0.58 0.82 0.00 0.00 0.00 179.25 179.66 1sq7 h ILE 150 N 0.00 1.50 -0.22 0.00 2.04 -1.32 -3.38 117.51 116.13 1sq7 h ILE 150 Ca -0.00 -2.39 -0.03 0.00 1.00 0.00 0.00 64.86 63.44 1sq7 h ILE 150 Cb 0.22 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1sq7 h ILE 150 CO 0.01 0.61 0.01 0.00 0.00 0.00 0.00 178.15 178.78 1sq7 h ALA 151 N -0.05 1.61 0.00 1.87 0.00 -0.37 -1.49 119.26 120.83 1sq7 h ALA 151 Ca -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sq7 h ALA 151 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sq7 h ALA 151 CO 0.02 0.29 -0.07 -0.44 0.00 0.00 0.00 179.25 179.06 1sq7 h ASP 152 N 0.32 0.00 -0.37 0.00 5.19 -1.34 -2.59 116.42 117.62 1sq7 h ASP 152 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1sq7 h ASP 152 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1sq7 h ASP 152 CO 0.00 0.07 0.00 0.59 -3.12 0.00 0.00 179.24 176.78 1sq7 n ASN 153 N -3.39 3.84 -4.21 6.45 3.02 -0.58 -4.93 115.26 115.46 1sq7 n ASN 153 Ca -0.02 -2.59 -0.34 0.00 -0.03 0.00 0.00 54.58 51.61 1sq7 n ASN 153 Cb 0.22 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 1sq7 n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sq7 s VAL 154 N -2.07 2.71 -0.18 2.41 1.01 -0.98 -4.01 120.40 119.29 1sq7 s VAL 154 Ca 0.38 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1sq7 s VAL 154 Cb 0.27 -2.21 -0.22 0.00 0.00 0.00 0.00 36.38 34.22 1sq7 s VAL 154 CO 0.14 0.45 0.10 0.29 0.00 0.00 0.00 175.10 176.09 1sq7 n LYS 155 N 4.70 0.70 -3.95 2.72 4.76 -1.26 -4.86 118.16 120.97 1sq7 n LYS 155 Ca -0.19 0.20 -0.30 0.00 -2.87 0.00 0.00 58.31 55.15 1sq7 n LYS 155 Cb 0.50 -1.62 -0.16 0.00 -1.84 0.00 0.00 35.03 31.91 1sq7 n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sq7 s ASP 156 N -6.72 3.51 0.00 4.39 3.68 -1.26 -5.02 116.67 115.25 1sq7 s ASP 156 Ca -0.27 -0.98 0.30 0.00 2.13 0.00 0.00 52.55 53.73 1sq7 s ASP 156 Cb 0.08 -1.16 1.42 0.00 -1.45 0.00 0.00 42.92 41.80 1sq7 s ASP 156 CO 0.70 -0.19 1.98 0.79 0.13 0.00 0.00 175.17 178.58 1sq7 n TRP 157 N 4.71 0.00 0.26 -5.34 7.02 -1.26 -4.04 117.44 118.79 1sq7 n TRP 157 Ca -0.13 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.49 1sq7 n TRP 157 Cb 0.46 -0.24 0.71 0.00 -2.42 0.00 0.00 31.31 29.82 1sq7 n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sq7 h SER 158 N 0.20 0.00 -0.44 -0.99 4.64 -1.96 -2.48 113.55 112.53 1sq7 h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sq7 h SER 158 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1sq7 h SER 158 CO 0.00 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 1sq7 n LYS 159 N -3.45 3.81 -5.10 4.77 4.76 -1.26 -4.98 118.16 116.70 1sq7 n LYS 159 Ca -0.01 -2.93 -0.30 0.00 -2.87 0.00 0.00 58.31 52.19 1sq7 n LYS 159 Cb 0.27 -1.98 -0.15 0.00 -1.84 0.00 0.00 35.03 31.33 1sq7 n LYS 159 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sq7 s VAL 160 N -2.56 2.08 -0.07 -0.18 1.01 -0.93 -1.35 120.40 118.39 1sq7 s VAL 160 Ca 0.47 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1sq7 s VAL 160 Cb 0.36 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1sq7 s VAL 160 CO 0.14 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.99 1sq7 s VAL 161 N -0.71 0.55 0.01 2.92 1.01 -0.00 -4.52 120.40 119.66 1sq7 s VAL 161 Ca 0.11 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1sq7 s VAL 161 Cb -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1sq7 s VAL 161 CO 0.01 0.27 0.72 -0.76 0.00 0.00 0.00 175.10 175.33 1sq7 s LEU 162 N 1.59 4.41 -0.23 3.92 1.43 -0.64 -1.17 118.68 128.00 1sq7 s LEU 162 Ca -0.00 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1sq7 s LEU 162 Cb -0.13 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.01 1sq7 s LEU 162 CO -0.04 0.00 -0.10 0.00 0.23 0.00 0.00 176.35 176.44 1sq7 s ALA 163 N 0.11 2.26 -0.15 4.21 0.00 -0.03 -0.22 121.76 127.94 1sq7 s ALA 163 Ca 0.37 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 1sq7 s ALA 163 Cb -0.19 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1sq7 s ALA 163 CO 0.21 -1.06 0.73 -0.47 0.00 0.00 0.00 175.76 175.17 1sq7 s TYR 164 N 1.26 3.45 -0.34 0.00 5.04 -0.56 -1.64 117.35 124.56 1sq7 s TYR 164 Ca -0.06 1.15 -0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1sq7 s TYR 164 Cb -0.18 -2.89 0.08 0.00 0.35 0.00 0.00 41.96 39.32 1sq7 s TYR 164 CO -0.07 -0.13 0.06 -1.21 -1.34 0.00 0.00 175.55 172.87 1sq7 s GLU 165 N 1.69 2.07 -1.00 4.97 2.02 0.76 -0.04 118.70 129.16 1sq7 s GLU 165 Ca 0.35 -1.58 -0.23 0.00 0.02 0.00 0.00 54.97 53.53 1sq7 s GLU 165 Cb -0.17 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1sq7 s GLU 165 CO 0.13 -0.82 1.78 -1.25 0.02 0.00 0.00 175.26 175.12 1sq7 s PRO 166 N 1.13 2.96 0.43 0.39 0.04 -1.26 -3.94 135.00 134.74 1sq7 s PRO 166 Ca 0.02 -0.77 0.22 0.00 0.04 0.00 0.00 61.00 60.51 1sq7 s PRO 166 Cb -0.21 -5.21 0.91 0.00 0.04 0.00 0.00 34.50 30.03 1sq7 s PRO 166 CO -0.04 -3.02 1.83 0.28 0.04 0.00 0.00 177.00 176.09 1sq7 h VAL 167 N 6.87 0.72 0.00 -0.36 2.07 -1.82 -1.95 116.25 121.77 1sq7 h VAL 167 Ca 0.17 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1sq7 h VAL 167 Cb 0.99 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1sq7 h VAL 167 CO 1.30 0.27 0.00 4.11 0.02 0.00 0.00 177.57 183.26 1sq7 h TRP 168 N 0.00 0.00 -0.42 1.57 5.08 -1.66 -2.50 115.95 118.01 1sq7 h TRP 168 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1sq7 h TRP 168 Cb 0.73 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.89 1sq7 h TRP 168 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1sq7 n ALA 169 N -1.98 2.88 -3.47 0.11 0.00 -0.73 -4.59 120.51 112.73 1sq7 n ALA 169 Ca -0.02 -1.77 -0.43 0.00 0.00 0.00 0.00 53.44 51.23 1sq7 n ALA 169 Cb 0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1sq7 n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sq7 s ILE 170 N -2.06 4.76 0.00 0.00 -1.09 -0.94 -4.57 121.20 117.31 1sq7 s ILE 170 Ca 0.41 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.63 1sq7 s ILE 170 Cb 0.29 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1sq7 s ILE 170 CO 0.16 -0.90 0.00 0.61 -1.23 0.00 0.00 174.94 173.58 1sq7 n GLY 171 N 4.37 0.79 0.07 6.18 0.00 -1.26 -4.90 105.19 110.44 1sq7 n GLY 171 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1sq7 n GLY 171 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sq7 h THR 172 N 0.00 0.00 0.00 2.61 1.35 -1.81 -3.48 112.91 111.59 1sq7 h THR 172 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1sq7 h THR 172 Cb 0.01 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1sq7 h THR 172 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sq7 n GLY 173 N 1.33 2.55 3.84 5.82 0.00 -1.26 -5.06 105.19 112.41 1sq7 n GLY 173 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1sq7 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq7 s LEU 174 N 0.00 3.96 0.04 0.99 1.43 -1.26 -5.10 118.68 118.73 1sq7 s LEU 174 Ca 0.00 1.41 0.05 0.00 -1.03 0.00 0.00 54.13 54.56 1sq7 s LEU 174 Cb 0.00 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 1sq7 s LEU 174 CO 0.00 -0.31 -0.14 -1.66 0.23 0.00 0.00 176.35 174.47 1sq7 s TRP 175 N -2.14 1.23 -0.08 0.29 1.48 -1.26 -4.46 118.94 113.99 1sq7 s TRP 175 Ca 0.57 -0.35 -0.21 0.00 -1.06 0.00 0.00 56.10 55.05 1sq7 s TRP 175 Cb -0.10 -0.73 -0.04 0.00 -1.16 0.00 0.00 33.47 31.44 1sq7 s TRP 175 CO 0.19 0.03 0.60 0.00 -4.06 0.00 0.00 176.95 173.71 1sq7 s ALA 176 N -0.82 3.41 0.56 2.67 0.00 -1.26 -5.04 121.76 121.28 1sq7 s ALA 176 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1sq7 s ALA 176 Cb -0.08 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1sq7 s ALA 176 CO 0.01 -0.03 0.91 0.95 0.00 0.00 0.00 175.76 177.60 1sq7 s THR 177 N 0.62 4.64 0.48 0.00 -4.23 -1.26 -4.91 115.64 110.98 1sq7 s THR 177 Ca 0.32 0.47 0.19 0.00 -1.18 0.00 0.00 61.69 61.49 1sq7 s THR 177 Cb -0.17 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.21 1sq7 s THR 177 CO 0.15 -0.92 2.01 -0.65 -0.54 0.00 0.00 174.62 174.66 1sq7 h PRO 178 N -0.08 0.19 -0.36 3.99 0.11 -1.98 -1.45 132.00 132.42 1sq7 h PRO 178 Ca -0.45 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1sq7 h PRO 178 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1sq7 h PRO 178 CO 0.62 0.13 -0.41 1.96 -0.21 0.00 0.00 178.00 180.09 1sq7 h GLN 179 N 0.20 0.90 -0.04 1.05 7.50 -1.95 -1.47 115.11 121.30 1sq7 h GLN 179 Ca 0.23 -0.48 -0.11 0.00 0.50 0.00 0.00 58.65 58.79 1sq7 h GLN 179 Cb 0.66 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 1sq7 h GLN 179 CO -0.04 1.13 -0.49 1.96 -1.50 0.00 0.00 178.83 179.88 1sq7 h GLN 180 N 0.73 0.09 -0.07 1.46 4.20 -1.76 -0.64 115.11 119.12 1sq7 h GLN 180 Ca 0.05 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1sq7 h GLN 180 Cb 0.99 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.78 1sq7 h GLN 180 CO 0.10 0.57 -0.48 0.00 -0.67 0.00 0.00 178.83 178.35 1sq7 h ALA 181 N 1.42 0.15 -0.66 3.87 0.00 -1.21 -2.94 119.26 119.89 1sq7 h ALA 181 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1sq7 h ALA 181 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1sq7 h ALA 181 CO 0.07 0.32 0.44 0.37 0.00 0.00 0.00 179.25 180.45 1sq7 h GLN 182 N -0.01 0.84 -0.63 0.00 5.75 -1.19 -1.60 115.11 118.26 1sq7 h GLN 182 Ca -0.04 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1sq7 h GLN 182 Cb 1.14 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 1sq7 h GLN 182 CO 0.10 0.55 0.10 1.49 -2.65 0.00 0.00 178.83 178.42 1sq7 h GLU 183 N 0.86 1.03 0.00 1.69 4.81 -1.05 -1.10 114.58 120.82 1sq7 h GLU 183 Ca 0.25 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1sq7 h GLU 183 Cb -0.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1sq7 h GLU 183 CO -0.06 0.95 -0.03 0.28 -0.73 0.00 0.00 179.01 179.41 1sq7 h VAL 184 N 0.97 1.70 -0.99 0.32 2.07 -1.32 -3.12 116.25 115.88 1sq7 h VAL 184 Ca 0.19 -2.11 0.14 0.00 0.82 0.00 0.00 66.70 65.75 1sq7 h VAL 184 Cb 0.42 3.13 -0.09 0.00 -1.52 0.00 0.00 31.29 33.23 1sq7 h VAL 184 CO 0.01 0.55 0.61 0.45 0.02 0.00 0.00 177.57 179.21 1sq7 h HIS 185 N -0.86 1.09 -0.57 1.57 3.86 -1.30 -0.48 115.15 118.45 1sq7 h HIS 185 Ca -0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1sq7 h HIS 185 Cb 0.92 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1sq7 h HIS 185 CO 0.24 0.36 0.11 1.49 0.86 0.00 0.00 177.93 180.99 1sq7 h GLU 186 N 0.89 0.93 -0.03 2.45 4.81 -1.30 -1.88 114.58 120.46 1sq7 h GLU 186 Ca 0.52 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1sq7 h GLU 186 Cb 0.63 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1sq7 h GLU 186 CO -0.31 0.88 -0.55 0.87 -0.73 0.00 0.00 179.01 179.17 1sq7 h LYS 187 N 0.83 0.09 -0.40 1.92 1.57 -1.31 -2.38 116.57 116.88 1sq7 h LYS 187 Ca 0.17 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1sq7 h LYS 187 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1sq7 h LYS 187 CO 0.01 0.61 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.14 1sq7 h LEU 188 N 0.07 0.94 -0.97 2.94 3.38 -0.88 -1.39 115.31 119.40 1sq7 h LEU 188 Ca -0.00 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 1sq7 h LEU 188 Cb 0.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1sq7 h LEU 188 CO 0.08 1.18 -0.30 -0.09 0.09 0.00 0.00 178.44 179.40 1sq7 h ARG 189 N 0.71 0.38 -0.05 1.13 2.43 -1.28 -1.92 114.38 115.78 1sq7 h ARG 189 Ca 0.08 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1sq7 h ARG 189 Cb 0.87 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1sq7 h ARG 189 CO 0.08 0.65 -0.49 0.78 -1.51 0.00 0.00 179.97 179.48 1sq7 h GLY 190 N 1.06 0.14 0.89 2.80 0.00 -1.32 -1.97 103.07 104.67 1sq7 h GLY 190 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1sq7 h GLY 190 CO 0.05 0.13 0.02 -0.25 0.00 0.00 0.00 176.54 176.50 1sq7 h TRP 191 N 0.10 0.57 -0.26 5.60 7.01 -0.68 -2.78 115.95 125.51 1sq7 h TRP 191 Ca 0.00 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 1sq7 h TRP 191 Cb 0.90 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 1sq7 h TRP 191 CO 0.01 0.64 0.08 -0.07 -2.79 0.00 0.00 178.44 176.30 1sq7 h LEU 192 N 0.33 0.32 -0.48 0.65 3.38 -1.24 -1.72 115.31 116.55 1sq7 h LEU 192 Ca 0.09 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1sq7 h LEU 192 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sq7 h LEU 192 CO 0.01 0.32 0.03 0.50 0.09 0.00 0.00 178.44 179.39 1sq7 h LYS 193 N 0.36 0.83 0.00 1.13 3.64 -1.10 -1.94 116.57 119.49 1sq7 h LYS 193 Ca 0.09 -0.25 -0.30 0.00 -1.27 0.00 0.00 60.65 58.92 1sq7 h LYS 193 Cb 0.12 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1sq7 h LYS 193 CO -0.01 0.86 -1.94 -1.13 -2.27 0.00 0.00 179.45 174.97 1sq7 n SER 194 N -4.37 0.52 0.02 4.20 3.41 -1.08 -3.66 113.62 112.65 1sq7 n SER 194 Ca 0.01 0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1sq7 n SER 194 Cb 0.29 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 1sq7 n SER 194 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1sq7 n HIS 195 N -2.89 0.20 0.00 7.33 8.25 -0.66 -4.85 115.22 122.60 1sq7 n HIS 195 Ca -0.22 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1sq7 n HIS 195 Cb 1.05 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1sq7 n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sq7 n VAL 196 N -2.15 0.00 -3.47 1.59 0.31 -0.97 -5.05 118.33 108.58 1sq7 n VAL 196 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1sq7 n VAL 196 Cb 0.50 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 1sq7 n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sq7 s SER 197 N 1.00 -0.52 0.15 4.52 1.04 -0.77 -5.00 113.70 114.13 1sq7 s SER 197 Ca 0.00 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 1sq7 s SER 197 Cb 0.00 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 1sq7 s SER 197 CO 0.00 -0.98 1.54 -0.78 0.98 0.00 0.00 173.24 174.00 1sq7 h ASP 198 N 2.00 1.00 -0.76 7.02 3.58 -1.80 -2.73 116.42 124.73 1sq7 h ASP 198 Ca -0.31 -0.40 0.03 0.00 0.42 0.00 0.00 57.03 56.77 1sq7 h ASP 198 Cb 1.30 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 1sq7 h ASP 198 CO 0.36 1.17 0.50 0.00 -2.88 0.00 0.00 179.24 178.39 1sq7 h ALA 199 N 0.86 1.52 -0.37 -0.78 0.00 -1.94 -1.77 119.26 116.79 1sq7 h ALA 199 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1sq7 h ALA 199 Cb 0.79 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sq7 h ALA 199 CO 0.07 0.41 -0.28 0.28 0.00 0.00 0.00 179.25 179.72 1sq7 h VAL 200 N 0.96 1.28 -0.41 0.00 2.07 -1.89 -2.81 116.25 115.46 1sq7 h VAL 200 Ca 0.30 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1sq7 h VAL 200 Cb 0.00 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1sq7 h VAL 200 CO -0.08 0.48 -0.05 0.00 0.02 0.00 0.00 177.57 177.94 1sq7 h ALA 201 N 0.77 1.15 0.00 1.67 0.00 -1.10 -1.88 119.26 119.86 1sq7 h ALA 201 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sq7 h ALA 201 Cb 0.86 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sq7 h ALA 201 CO 0.07 0.54 -0.06 1.96 0.00 0.00 0.00 179.25 181.77 1sq7 h GLN 202 N 0.64 0.00 0.00 0.00 1.08 -1.33 -3.35 115.11 112.15 1sq7 h GLN 202 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1sq7 h GLN 202 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1sq7 h GLN 202 CO 0.02 0.06 -0.98 -1.13 -0.95 0.00 0.00 178.83 175.86 1sq7 n SER 203 N -3.12 0.89 -4.66 1.46 3.41 -1.06 -4.67 113.62 105.87 1sq7 n SER 203 Ca 0.03 -0.64 -0.40 0.00 -0.26 0.00 0.00 58.87 57.60 1sq7 n SER 203 Cb 0.53 1.18 -0.05 0.00 -0.26 0.00 0.00 64.21 65.61 1sq7 n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sq7 s THR 204 N -2.61 4.99 -0.12 6.66 2.01 -0.72 -4.92 115.64 120.92 1sq7 s THR 204 Ca 0.03 1.29 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 1sq7 s THR 204 Cb 0.11 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1sq7 s THR 204 CO 0.64 0.09 1.33 -0.13 -0.69 0.00 0.00 174.62 175.85 1sq7 s ARG 205 N 1.97 4.24 -0.41 4.92 3.00 -1.26 -4.97 118.95 126.44 1sq7 s ARG 205 Ca 0.31 1.77 -0.06 0.00 0.00 0.00 0.00 55.73 57.75 1sq7 s ARG 205 Cb -0.16 -3.76 0.09 0.00 0.00 0.00 0.00 34.95 31.12 1sq7 s ARG 205 CO 0.11 -0.69 0.22 0.42 0.00 0.00 0.00 175.30 175.36 1sq7 s ILE 206 N 3.33 3.74 0.16 1.52 1.01 -1.26 -1.62 121.20 128.08 1sq7 s ILE 206 Ca 0.58 -1.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1sq7 s ILE 206 Cb -0.25 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1sq7 s ILE 206 CO 0.19 -0.55 0.37 0.27 0.00 0.00 0.00 174.94 175.22 1sq7 s ILE 207 N 1.30 5.19 -0.25 2.92 -4.36 0.69 -2.31 121.20 124.39 1sq7 s ILE 207 Ca 0.04 -0.15 -0.21 0.00 -0.26 0.00 0.00 60.65 60.08 1sq7 s ILE 207 Cb -0.23 -3.67 -0.02 0.00 1.25 0.00 0.00 42.46 39.79 1sq7 s ILE 207 CO -0.01 -0.05 0.65 -0.47 0.24 0.00 0.00 174.94 175.30 1sq7 s TYR 208 N -1.74 3.29 -0.35 1.37 6.14 -0.27 -1.50 117.35 124.29 1sq7 s TYR 208 Ca 0.40 0.86 0.15 0.00 0.64 0.00 0.00 57.07 59.12 1sq7 s TYR 208 Cb -0.12 -2.85 0.69 0.00 0.42 0.00 0.00 41.96 40.09 1sq7 s TYR 208 CO 0.27 -0.32 1.60 0.41 0.64 0.00 0.00 175.55 178.15 1sq7 n GLY 209 N 4.08 3.35 0.00 8.97 0.00 0.94 -1.41 105.19 121.12 1sq7 n GLY 209 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1sq7 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq7 n GLY 210 N 0.27 -1.10 3.61 -0.02 0.00 -1.25 -4.71 105.19 101.98 1sq7 n GLY 210 Ca 0.25 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 1sq7 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sq7 s SER 211 N -1.07 6.31 -0.20 1.61 0.01 -1.26 -4.70 113.70 114.40 1sq7 s SER 211 Ca 0.00 1.06 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 1sq7 s SER 211 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1sq7 s SER 211 CO 0.00 -1.41 -0.10 -0.69 0.41 0.00 0.00 173.24 171.44 1sq7 s VAL 212 N 5.52 2.87 0.49 3.43 1.01 -1.26 -5.00 120.40 127.46 1sq7 s VAL 212 Ca 0.65 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1sq7 s VAL 212 Cb -0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1sq7 s VAL 212 CO 0.31 0.47 0.06 0.42 0.00 0.00 0.00 175.10 176.36 1sq7 s THR 213 N 1.40 0.79 -0.16 3.92 -4.23 -1.26 -4.55 115.64 111.55 1sq7 s THR 213 Ca 0.05 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1sq7 s THR 213 Cb -0.14 -2.12 0.34 0.00 1.34 0.00 0.00 72.50 71.92 1sq7 s THR 213 CO -0.07 0.00 1.86 1.23 -0.54 0.00 0.00 174.62 177.10 1sq7 h GLY 214 N 1.46 0.00 1.51 3.99 0.00 -1.96 -2.59 103.07 105.48 1sq7 h GLY 214 Ca -0.40 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.69 1sq7 h GLY 214 CO 0.65 0.00 -1.05 -1.33 0.00 0.00 0.00 176.54 174.81 1sq7 h GLY 215 N 2.42 0.47 -0.42 4.60 0.00 -1.97 -3.39 103.07 104.78 1sq7 h GLY 215 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1sq7 h GLY 215 CO 0.00 0.81 -0.25 1.16 0.00 0.00 0.00 176.54 178.26 1sq7 n ASN 216 N -3.71 1.15 0.10 0.19 6.94 -1.18 -4.69 115.26 114.06 1sq7 n ASN 216 Ca -0.08 -1.07 -0.03 0.00 -0.02 0.00 0.00 54.58 53.37 1sq7 n ASN 216 Cb 0.89 0.53 0.17 0.00 -2.36 0.00 0.00 39.78 39.01 1sq7 n ASN 216 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sq7 h LYS 218 N 0.14 0.89 0.02 0.00 1.57 -1.83 -0.84 116.57 116.51 1sq7 h LYS 218 Ca -0.00 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 1sq7 h LYS 218 Cb 1.02 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1sq7 h LYS 218 CO 0.08 0.61 -0.99 0.93 -0.57 0.00 0.00 179.45 179.51 1sq7 h GLU 219 N 0.90 0.39 -0.38 3.15 3.07 -1.89 -2.65 114.58 117.17 1sq7 h GLU 219 Ca 0.24 -0.45 -0.11 0.00 -0.50 0.00 0.00 59.36 58.54 1sq7 h GLU 219 Cb -0.07 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1sq7 h GLU 219 CO -0.05 1.13 -0.19 -0.07 -1.40 0.00 0.00 179.01 178.42 1sq7 h LEU 220 N 0.21 0.83 -0.96 1.33 3.38 -1.43 -3.19 115.31 115.49 1sq7 h LEU 220 Ca -0.09 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1sq7 h LEU 220 Cb 1.64 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1sq7 h LEU 220 CO 0.17 1.06 -0.43 0.00 0.09 0.00 0.00 178.44 179.33 1sq7 h ALA 221 N 0.80 1.04 0.00 1.53 0.00 -1.18 -2.73 119.26 118.71 1sq7 h ALA 221 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sq7 h ALA 221 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sq7 h ALA 221 CO 0.06 0.54 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1sq7 n SER 222 N -3.66 0.00 -4.77 0.00 3.41 -1.00 -4.76 113.62 102.83 1sq7 n SER 222 Ca -0.01 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.68 1sq7 n SER 222 Cb 0.52 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1sq7 n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sq7 s GLN 223 N -2.96 3.71 0.14 4.33 -1.52 -1.03 -4.96 119.66 117.38 1sq7 s GLN 223 Ca 0.12 1.79 -0.13 0.00 -1.95 0.00 0.00 55.36 55.19 1sq7 s GLN 223 Cb 0.15 -2.39 0.02 0.00 -0.22 0.00 0.00 33.01 30.57 1sq7 s GLN 223 CO 0.40 -0.59 1.62 1.25 -0.25 0.00 0.00 175.29 177.72 1sq7 h HIS 224 N 1.99 0.85 -0.58 0.91 2.76 -1.88 -3.13 115.15 116.07 1sq7 h HIS 224 Ca -0.49 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 1sq7 h HIS 224 Cb 1.25 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1sq7 h HIS 224 CO 0.53 0.79 0.00 -0.25 -1.30 0.00 0.00 177.93 177.70 1sq7 n ASP 225 N -4.42 3.89 -4.62 3.26 9.92 -1.26 -4.82 116.55 118.49 1sq7 n ASP 225 Ca 0.01 -2.18 -0.39 0.00 -0.53 0.00 0.00 54.79 51.70 1sq7 n ASP 225 Cb 0.26 -0.45 -0.09 0.00 -0.64 0.00 0.00 41.12 40.21 1sq7 n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sq7 s VAL 226 N -1.33 5.16 -0.18 2.53 1.01 -1.19 -4.62 120.40 121.78 1sq7 s VAL 226 Ca 0.42 0.64 0.16 0.00 0.00 0.00 0.00 61.98 63.20 1sq7 s VAL 226 Cb 0.24 -3.72 0.41 0.00 0.00 0.00 0.00 36.38 33.31 1sq7 s VAL 226 CO 0.25 0.17 1.28 0.47 0.00 0.00 0.00 175.10 177.26 1sq7 n ASP 227 N 5.19 2.68 0.00 3.32 10.43 -0.98 -4.77 116.55 132.42 1sq7 n ASP 227 Ca -0.08 -3.30 0.00 0.00 2.57 0.00 0.00 54.79 53.99 1sq7 n ASP 227 Cb 0.51 -0.51 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1sq7 n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sq7 n GLY 228 N -1.10 0.94 3.06 0.44 0.00 -1.26 -1.20 105.19 106.08 1sq7 n GLY 228 Ca 0.20 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1sq7 n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sq7 s PHE 229 N -1.95 0.62 -0.45 1.61 0.08 -0.02 -1.11 117.98 116.77 1sq7 s PHE 229 Ca 0.00 -0.55 -0.05 0.00 0.12 0.00 0.00 56.93 56.44 1sq7 s PHE 229 Cb 0.00 -0.38 0.12 0.00 -0.57 0.00 0.00 43.02 42.19 1sq7 s PHE 229 CO 0.00 -0.11 0.27 -1.17 -0.10 0.00 0.00 175.22 174.11 1sq7 s LEU 230 N -1.71 5.43 0.01 -0.37 2.96 -0.50 -0.48 118.68 124.02 1sq7 s LEU 230 Ca -0.09 -2.04 -0.21 0.00 -0.22 0.00 0.00 54.13 51.57 1sq7 s LEU 230 Cb -0.08 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1sq7 s LEU 230 CO -0.01 -0.59 0.63 -0.69 -1.32 0.00 0.00 176.35 174.37 1sq7 s VAL 231 N 1.15 4.85 0.00 1.68 1.01 -0.13 -4.41 120.40 124.55 1sq7 s VAL 231 Ca 0.08 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1sq7 s VAL 231 Cb -0.24 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1sq7 s VAL 231 CO -0.03 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1sq7 n GLY 232 N 2.37 0.62 0.45 4.51 0.00 -1.26 -0.36 105.19 111.52 1sq7 n GLY 232 Ca -0.06 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.24 1sq7 n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sq7 h GLY 233 N 0.00 0.76 2.00 -0.02 0.00 -1.92 -1.74 103.07 102.16 1sq7 h GLY 233 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1sq7 h GLY 233 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.44 1sq7 n ALA 234 N -2.58 1.95 0.52 3.60 0.00 -1.26 -2.83 120.51 119.90 1sq7 n ALA 234 Ca 0.26 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1sq7 n ALA 234 Cb 1.03 -1.37 0.46 0.00 0.00 0.00 0.00 19.45 19.56 1sq7 n ALA 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sq7 n SER 235 N -1.78 0.60 0.07 0.00 3.41 -0.66 -3.01 113.62 112.25 1sq7 n SER 235 Ca 0.05 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1sq7 n SER 235 Cb 0.27 -0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1sq7 n SER 235 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sq7 h LEU 236 N 0.00 0.00-10.21 1.04 3.38 -1.72 -3.47 115.31 104.32 1sq7 h LEU 236 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1sq7 h LEU 236 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sq7 h LEU 236 CO 0.00 0.58 -0.32 -0.54 0.09 0.00 0.00 178.44 178.26 1sq7 s LYS 237 N -2.92 3.46 0.18 1.13 1.02 -1.17 -4.85 119.74 116.60 1sq7 s LYS 237 Ca -0.00 -0.55 0.14 0.00 0.02 0.00 0.00 55.97 55.58 1sq7 s LYS 237 Cb 0.08 -2.78 0.71 0.00 -0.52 0.00 0.00 37.83 35.32 1sq7 s LYS 237 CO 0.79 0.30 1.43 -0.35 -0.92 0.00 0.00 175.35 176.59 1sq7 n PRO 238 N -1.57 0.09 0.02 -1.68 -0.04 -1.26 -2.33 135.00 128.23 1sq7 n PRO 238 Ca -0.07 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.03 1sq7 n PRO 238 Cb 0.57 -1.76 0.41 0.00 -0.04 0.00 0.00 33.50 32.67 1sq7 n PRO 238 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sq7 n GLU 239 N -1.94 0.04 0.17 0.54 0.28 -1.26 -2.77 120.64 115.69 1sq7 n GLU 239 Ca -0.00 0.21 0.16 0.00 -0.16 0.00 0.00 57.16 57.37 1sq7 n GLU 239 Cb 0.05 -1.56 0.75 0.00 1.43 0.00 0.00 31.44 32.11 1sq7 n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1sq7 h PHE 240 N 0.00 0.00 -0.30 -1.84 3.57 -1.49 -1.73 116.94 115.15 1sq7 h PHE 240 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1sq7 h PHE 240 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1sq7 h PHE 240 CO 0.00 0.00 0.15 0.28 -2.23 0.00 0.00 178.31 176.51 1sq7 h VAL 241 N 0.00 1.15 -0.90 1.41 2.07 -1.78 -1.93 116.25 116.28 1sq7 h VAL 241 Ca 0.11 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sq7 h VAL 241 Cb 0.48 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1sq7 h VAL 241 CO -0.00 0.16 0.59 0.44 0.02 0.00 0.00 177.57 178.78 1sq7 h ASP 242 N 0.35 1.01 -0.48 0.57 3.32 -1.53 -2.39 116.42 117.26 1sq7 h ASP 242 Ca 0.10 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1sq7 h ASP 242 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1sq7 h ASP 242 CO -0.01 0.72 0.01 0.40 -1.72 0.00 0.00 179.24 178.63 1sq7 h ILE 243 N 1.19 1.25 -0.84 0.35 2.04 -1.36 -2.39 117.51 117.74 1sq7 h ILE 243 Ca 0.34 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1sq7 h ILE 243 Cb -0.09 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1sq7 h ILE 243 CO -0.09 0.38 0.48 0.40 0.00 0.00 0.00 178.15 179.32 1sq7 h ILE 244 N 0.83 1.24 -0.97 -0.67 2.04 -1.01 -2.68 117.51 116.30 1sq7 h ILE 244 Ca 0.16 -0.58 -0.57 0.00 1.00 0.00 0.00 64.86 64.87 1sq7 h ILE 244 Cb 0.49 0.09 -0.23 0.00 -0.74 0.00 0.00 36.82 36.42 1sq7 h ILE 244 CO 0.02 0.27 0.72 0.59 0.00 0.00 0.00 178.15 179.75 1sq7 n ASN 245 N -4.35 7.20 0.18 1.72 3.02 -0.92 -4.68 115.26 117.43 1sq7 n ASN 245 Ca 0.09 -3.52 0.03 0.00 -0.03 0.00 0.00 54.58 51.14 1sq7 n ASN 245 Cb 0.09 -1.04 0.34 0.00 -0.61 0.00 0.00 39.78 38.56 1sq7 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sq7 h ALA 246 N 2.06 1.27 -0.00 5.41 0.00 -1.24 -2.98 119.26 123.79 1sq7 h ALA 246 Ca 0.49 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sq7 h ALA 246 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sq7 h ALA 246 CO 1.26 0.51 -0.33 1.63 0.00 0.00 0.00 179.25 182.31 1sq7 n LYS 247 N -3.97 0.36 0.00 0.00 5.02 -1.26 -4.54 118.16 113.77 1sq7 n LYS 247 Ca -0.02 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1sq7 n LYS 247 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1sq7 n LYS 247 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60