#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq3 n ILE 4 N 0.00 0.30 -1.25 2.46 3.06 -1.26 -4.94 119.36 117.73 1sq3 n ILE 4 Ca 0.00 -0.05 -0.29 0.00 -2.50 0.00 0.00 62.75 59.91 1sq3 n ILE 4 Cb 0.00 -2.11 0.16 0.00 0.54 0.00 0.00 39.64 38.23 1sq3 n ILE 4 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1sq3 s SER 5 N 2.46 3.03 0.09 9.51 1.04 -1.26 -4.91 113.70 123.67 1sq3 s SER 5 Ca 0.81 1.22 -0.14 0.00 0.48 0.00 0.00 55.95 58.32 1sq3 s SER 5 Cb -0.48 -1.88 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1sq3 s SER 5 CO 0.36 -2.88 1.31 -0.33 0.98 0.00 0.00 173.24 172.68 1sq3 h GLU 6 N -1.72 0.73 0.00 4.02 5.08 -2.06 -2.25 114.58 118.39 1sq3 h GLU 6 Ca -0.52 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.28 1sq3 h GLU 6 Cb 1.32 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1sq3 h GLU 6 CO 0.58 1.17 0.00 1.17 -1.00 0.00 0.00 179.01 180.93 1sq3 n LYS 7 N -4.06 0.00 0.00 2.33 4.81 -1.26 -0.89 118.16 119.09 1sq3 n LYS 7 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1sq3 n LYS 7 Cb 0.67 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.71 1sq3 n LYS 7 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1sq3 n VAL 9 N -0.09 0.00 -0.06 3.15 0.31 -0.85 -1.97 118.33 118.82 1sq3 n VAL 9 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1sq3 n VAL 9 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1sq3 n VAL 9 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1sq3 h GLU 10 N 0.00 0.10 -0.57 5.55 4.22 -1.30 0.06 114.58 122.64 1sq3 h GLU 10 Ca 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 1sq3 h GLU 10 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1sq3 h GLU 10 CO 0.00 0.06 0.22 0.00 -2.18 0.00 0.00 179.01 177.11 1sq3 h ALA 11 N 1.20 0.73 -0.41 2.92 0.00 -1.66 0.11 119.26 122.17 1sq3 h ALA 11 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1sq3 h ALA 11 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sq3 h ALA 11 CO -0.18 0.35 0.07 -0.07 0.00 0.00 0.00 179.25 179.43 1sq3 h LEU 12 N 0.78 0.64 -1.46 0.00 3.38 -1.78 0.67 115.31 117.54 1sq3 h LEU 12 Ca 0.19 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1sq3 h LEU 12 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1sq3 h LEU 12 CO -0.01 0.73 0.37 0.78 0.09 0.00 0.00 178.44 180.40 1sq3 h ASN 13 N 0.52 0.63 -0.47 -0.43 2.35 -0.66 0.20 115.58 117.72 1sq3 h ASN 13 Ca 0.12 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1sq3 h ASN 13 Cb 0.36 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1sq3 h ASN 13 CO 0.01 0.45 0.08 0.03 -1.65 0.00 0.00 177.43 176.35 1sq3 h ARG 14 N 0.75 0.78 -0.01 0.81 2.47 0.10 -1.74 114.38 117.55 1sq3 h ARG 14 Ca 0.21 -0.21 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1sq3 h ARG 14 Cb -0.06 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 1sq3 h ARG 14 CO -0.05 0.79 -0.60 0.37 0.56 0.00 0.00 179.97 181.04 1sq3 h GLN 15 N 0.65 0.02 -0.06 0.04 5.75 0.27 0.66 115.11 122.44 1sq3 h GLN 15 Ca 0.14 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1sq3 h GLN 15 Cb 0.38 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 1sq3 h GLN 15 CO 0.01 0.61 0.04 0.82 -2.65 0.00 0.00 178.83 177.66 1sq3 h ILE 16 N 0.02 1.02 -0.80 2.39 2.04 -0.34 0.40 117.51 122.23 1sq3 h ILE 16 Ca -0.01 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1sq3 h ILE 16 Cb 1.06 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1sq3 h ILE 16 CO 0.08 0.02 0.42 -1.13 0.00 0.00 0.00 178.15 177.53 1sq3 h ASN 17 N 0.09 0.53 -0.17 1.72 -1.24 -0.57 -0.40 115.58 115.54 1sq3 h ASN 17 Ca 0.02 0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 1sq3 h ASN 17 Cb -0.01 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1sq3 h ASN 17 CO -0.01 0.27 -0.17 0.00 -1.29 0.00 0.00 177.43 176.23 1sq3 h ALA 18 N 1.50 1.12 -0.42 1.57 0.00 0.12 0.30 119.26 123.45 1sq3 h ALA 18 Ca 0.41 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1sq3 h ALA 18 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sq3 h ALA 18 CO -0.31 0.55 -0.27 0.93 0.00 0.00 0.00 179.25 180.14 1sq3 h GLU 19 N 0.52 0.93 -0.64 0.00 4.39 0.46 -0.97 114.58 119.26 1sq3 h GLU 19 Ca 0.09 -0.44 -0.09 0.00 0.34 0.00 0.00 59.36 59.26 1sq3 h GLU 19 Cb 0.59 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1sq3 h GLU 19 CO 0.04 1.10 0.05 0.82 -1.16 0.00 0.00 179.01 179.85 1sq3 h ILE 20 N 0.76 1.27 -0.50 3.13 2.04 -0.62 -1.77 117.51 121.82 1sq3 h ILE 20 Ca 0.09 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.87 1sq3 h ILE 20 Cb 0.85 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1sq3 h ILE 20 CO 0.08 0.41 0.27 0.22 0.00 0.00 0.00 178.15 179.13 1sq3 h TYR 21 N 1.02 0.51 -0.74 1.37 3.20 -0.27 -1.15 116.97 120.90 1sq3 h TYR 21 Ca 0.19 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.16 1sq3 h TYR 21 Cb 0.51 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 1sq3 h TYR 21 CO 0.04 0.27 0.40 0.77 -1.64 0.00 0.00 178.16 178.00 1sq3 h SER 22 N 0.54 0.55 -0.60 -2.11 0.02 -0.71 0.18 113.55 111.43 1sq3 h SER 22 Ca 0.21 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1sq3 h SER 22 Cb 0.07 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1sq3 h SER 22 CO -0.12 0.32 0.36 0.00 -1.14 0.00 0.00 176.83 176.25 1sq3 h ALA 23 N 1.42 0.76 -0.36 3.77 0.00 -0.68 -1.74 119.26 122.43 1sq3 h ALA 23 Ca 0.36 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1sq3 h ALA 23 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sq3 h ALA 23 CO -0.25 0.24 -0.18 -0.92 0.00 0.00 0.00 179.25 178.15 1sq3 h TYR 24 N 0.81 0.75 -0.36 0.00 3.20 0.05 -0.09 116.97 121.32 1sq3 h TYR 24 Ca 0.21 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1sq3 h TYR 24 Cb -0.02 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1sq3 h TYR 24 CO -0.02 0.81 0.22 1.25 -1.64 0.00 0.00 178.16 178.77 1sq3 h LEU 25 N 0.60 0.44 -1.12 2.82 5.85 -0.43 -1.73 115.31 121.75 1sq3 h LEU 25 Ca 0.10 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1sq3 h LEU 25 Cb 0.64 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1sq3 h LEU 25 CO 0.04 0.37 -0.21 1.88 -0.34 0.00 0.00 178.44 180.18 1sq3 h TYR 26 N 0.47 0.40 -0.58 1.25 0.05 -0.81 -2.46 116.97 115.29 1sq3 h TYR 26 Ca 0.13 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1sq3 h TYR 26 Cb 0.01 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1sq3 h TYR 26 CO -0.04 0.56 0.08 1.25 -1.05 0.00 0.00 178.16 178.96 1sq3 h LEU 27 N 0.33 0.93 -1.36 3.88 5.85 -0.82 -0.03 115.31 124.10 1sq3 h LEU 27 Ca 0.06 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1sq3 h LEU 27 Cb 0.56 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1sq3 h LEU 27 CO 0.04 0.97 0.00 -0.24 -0.34 0.00 0.00 178.44 178.86 1sq3 n SER 28 N -4.31 0.00 0.00 1.25 2.88 -0.67 -1.99 113.62 110.79 1sq3 n SER 28 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1sq3 n SER 28 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1sq3 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sq3 n ALA 30 N 0.53 0.00 -0.07 -1.46 0.00 -0.03 -1.29 120.51 118.20 1sq3 n ALA 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1sq3 n ALA 30 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1sq3 n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sq3 h SER 31 N 0.00 0.49 -0.24 0.00 0.87 -1.68 -1.57 113.55 111.43 1sq3 h SER 31 Ca 0.00 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1sq3 h SER 31 Cb 0.00 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 1sq3 h SER 31 CO 0.00 0.86 -0.18 0.22 -0.53 0.00 0.00 176.83 177.20 1sq3 h TYR 32 N 0.14 -0.45 -0.55 2.24 3.20 -1.45 -0.90 116.97 119.20 1sq3 h TYR 32 Ca 0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1sq3 h TYR 32 Cb 0.71 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1sq3 h TYR 32 CO 0.08 -0.25 0.12 0.74 -1.64 0.00 0.00 178.16 177.20 1sq3 h PHE 33 N -0.17 0.89 -0.87 -3.82 0.04 -1.82 0.74 116.94 111.93 1sq3 h PHE 33 Ca 0.13 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.88 1sq3 h PHE 33 Cb 0.37 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 1sq3 h PHE 33 CO -0.34 0.75 0.54 -0.44 -0.60 0.00 0.00 178.31 178.22 1sq3 h ASP 34 N 0.82 0.85 0.76 2.17 3.32 -0.73 -1.93 116.42 121.68 1sq3 h ASP 34 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1sq3 h ASP 34 Cb 0.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1sq3 h ASP 34 CO 0.00 0.54 0.00 0.77 -1.72 0.00 0.00 179.24 178.83 1sq3 h SER 35 N 0.98 0.00 -0.17 6.45 4.64 0.53 -1.91 113.55 124.07 1sq3 h SER 35 Ca 0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 1sq3 h SER 35 Cb 0.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1sq3 h SER 35 CO -0.18 0.00 -0.15 2.30 -0.87 0.00 0.00 176.83 177.93 1sq3 n ILE 36 N -2.40 2.28 -3.62 0.95 -5.35 -0.90 -5.00 119.36 105.33 1sq3 n ILE 36 Ca 0.02 -2.59 -0.23 0.00 -0.27 0.00 0.00 62.75 59.68 1sq3 n ILE 36 Cb 0.24 -0.27 0.07 0.00 -1.74 0.00 0.00 39.64 37.93 1sq3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sq3 n GLY 37 N -1.07 -0.45 2.94 3.28 0.00 -0.72 -4.97 105.19 104.21 1sq3 n GLY 37 Ca 0.24 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1sq3 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq3 s LEU 38 N -6.94 4.62 0.36 0.99 1.43 -0.78 -4.94 118.68 113.43 1sq3 s LEU 38 Ca 0.34 -3.38 0.26 0.00 -1.03 0.00 0.00 54.13 50.32 1sq3 s LEU 38 Cb -0.16 -1.66 0.75 0.00 0.03 0.00 0.00 46.19 45.15 1sq3 s LEU 38 CO 0.76 -0.18 1.74 0.11 0.23 0.00 0.00 176.35 179.01 1sq3 h LYS 39 N 6.05 0.00 0.06 1.70 1.79 -1.90 -2.15 116.57 122.12 1sq3 h LYS 39 Ca 0.02 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 1sq3 h LYS 39 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1sq3 h LYS 39 CO 0.71 0.00 -1.15 0.78 -1.08 0.00 0.00 179.45 178.71 1sq3 h GLY 40 N 3.62 0.15 0.68 3.86 0.00 -1.91 -0.82 103.07 108.65 1sq3 h GLY 40 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1sq3 h GLY 40 CO 0.00 0.33 -0.48 0.74 0.00 0.00 0.00 176.54 177.13 1sq3 h PHE 41 N 0.04 0.50 -0.68 5.60 -1.00 -1.70 -2.02 116.94 117.67 1sq3 h PHE 41 Ca -0.08 -0.26 0.13 0.00 2.81 0.00 0.00 57.97 60.57 1sq3 h PHE 41 Cb 1.88 -0.06 -0.13 0.00 3.61 0.00 0.00 35.95 41.25 1sq3 h PHE 41 CO 0.03 1.07 -0.20 1.03 -1.61 0.00 0.00 178.31 178.63 1sq3 h SER 42 N -0.22 -0.72 -0.22 2.17 0.87 -1.40 -1.02 113.55 113.00 1sq3 h SER 42 Ca -0.06 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1sq3 h SER 42 Cb 1.20 0.45 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 1sq3 h SER 42 CO 0.09 -0.24 0.10 -1.13 -0.53 0.00 0.00 176.83 175.13 1sq3 h ASN 43 N -0.02 0.15 0.00 6.23 -0.73 -1.04 -0.51 115.58 119.66 1sq3 h ASN 43 Ca 0.32 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1sq3 h ASN 43 Cb 0.52 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1sq3 h ASN 43 CO -0.71 0.12 0.00 1.87 -0.37 0.00 0.00 177.43 178.34 1sq3 n TRP 44 N -5.00 0.00 0.00 0.67 -0.00 -0.39 -1.10 117.44 111.62 1sq3 n TRP 44 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1sq3 n TRP 44 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.35 1sq3 n TRP 44 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1sq3 n ARG 46 N 0.51 0.00 -0.12 5.87 5.12 -0.20 -1.74 116.66 126.10 1sq3 n ARG 46 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1sq3 n ARG 46 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1sq3 n ARG 46 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sq3 h VAL 47 N 0.00 1.19 0.00 1.55 2.07 -1.37 -2.70 116.25 116.99 1sq3 h VAL 47 Ca 0.00 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1sq3 h VAL 47 Cb 0.00 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1sq3 h VAL 47 CO 0.00 0.21 -0.16 -0.61 0.02 0.00 0.00 177.57 177.03 1sq3 h GLN 48 N 0.45 0.00 -0.15 1.57 5.75 -1.59 0.11 115.11 121.25 1sq3 h GLN 48 Ca 0.12 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 1sq3 h GLN 48 Cb 0.19 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1sq3 h GLN 48 CO -0.01 0.16 -0.11 2.35 -2.65 0.00 0.00 178.83 178.57 1sq3 h TRP 49 N 0.00 0.40 -0.76 3.99 2.91 -1.76 0.25 115.95 120.98 1sq3 h TRP 49 Ca -0.00 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 59.92 1sq3 h TRP 49 Cb 0.44 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.96 1sq3 h TRP 49 CO 0.00 0.70 0.50 1.96 -1.03 0.00 0.00 178.44 180.57 1sq3 h GLN 50 N -0.01 0.99 0.32 2.65 4.20 -1.12 -1.11 115.11 121.04 1sq3 h GLN 50 Ca 0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1sq3 h GLN 50 Cb 0.61 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1sq3 h GLN 50 CO 0.03 0.65 -0.28 1.49 -0.67 0.00 0.00 178.83 180.05 1sq3 h GLU 51 N 1.02 -0.59 -0.54 1.46 4.81 -0.57 -2.90 114.58 117.26 1sq3 h GLU 51 Ca 0.28 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1sq3 h GLU 51 Cb -0.11 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1sq3 h GLU 51 CO -0.06 -0.39 0.19 0.93 -0.73 0.00 0.00 179.01 178.94 1sq3 h GLU 52 N -0.61 0.80 -1.00 1.92 4.39 -0.54 -0.41 114.58 119.13 1sq3 h GLU 52 Ca -0.02 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1sq3 h GLU 52 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1sq3 h GLU 52 CO -0.03 0.68 0.00 1.28 -1.16 0.00 0.00 179.01 179.78 1sq3 n LEU 53 N -4.31 0.00 0.00 1.33 4.32 -0.45 -1.33 117.00 116.55 1sq3 n LEU 53 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1sq3 n LEU 53 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1sq3 n LEU 53 CO 0.39 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 177.97 1sq3 n HIS 55 N 0.70 0.00 0.24 -1.77 8.25 -0.16 -4.70 115.22 117.78 1sq3 n HIS 55 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sq3 n HIS 55 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sq3 n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq3 n ALA 56 N 0.00 1.57 -0.90 -1.41 0.00 -0.44 -4.78 120.51 114.55 1sq3 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sq3 n ALA 56 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1sq3 n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sq3 n LYS 58 N 0.66 -1.14 0.00 0.00 4.81 -1.26 -4.70 118.16 116.52 1sq3 n LYS 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sq3 n LYS 58 Cb 0.09 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1sq3 n LYS 58 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sq3 n PHE 60 N -0.77 0.00 -0.03 5.64 -0.00 -1.26 -1.88 117.46 119.16 1sq3 n PHE 60 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1sq3 n PHE 60 Cb 0.11 0.00 0.26 0.00 -0.00 0.00 0.00 39.48 39.85 1sq3 n PHE 60 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1sq3 h ASP 61 N 0.00 0.56 -0.20 -2.13 3.32 -1.99 -3.20 116.42 112.78 1sq3 h ASP 61 Ca 0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1sq3 h ASP 61 Cb 0.00 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1sq3 h ASP 61 CO 0.00 0.63 -0.20 0.15 -1.72 0.00 0.00 179.24 178.10 1sq3 h PHE 62 N 0.57 0.59 -0.98 4.55 3.57 -1.77 -1.56 116.94 121.90 1sq3 h PHE 62 Ca 0.12 -0.18 0.11 0.00 3.53 0.00 0.00 57.97 61.55 1sq3 h PHE 62 Cb 0.36 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1sq3 h PHE 62 CO 0.01 0.85 0.61 0.28 -2.23 0.00 0.00 178.31 177.83 1sq3 h VAL 63 N 0.16 0.94 0.00 1.41 2.07 -1.84 -0.47 116.25 118.51 1sq3 h VAL 63 Ca 0.03 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1sq3 h VAL 63 Cb 0.75 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1sq3 h VAL 63 CO 0.05 0.18 -0.72 0.77 0.02 0.00 0.00 177.57 177.87 1sq3 h SER 64 N 0.99 0.00 0.83 0.57 4.64 -1.52 -0.74 113.55 118.33 1sq3 h SER 64 Ca 0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.70 1sq3 h SER 64 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1sq3 h SER 64 CO -0.25 0.72 -0.44 -0.08 -0.87 0.00 0.00 176.83 175.91 1sq3 h GLU 65 N 0.00 0.00 -0.00 4.77 4.81 -0.30 -2.50 114.58 121.35 1sq3 h GLU 65 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sq3 h GLU 65 Cb 1.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1sq3 h GLU 65 CO 0.09 0.44 -0.04 0.54 -0.73 0.00 0.00 179.01 179.31 1sq3 n ARG 66 N -3.57 0.80 -0.02 1.92 5.12 -0.28 -4.90 116.66 115.73 1sq3 n ARG 66 Ca -0.00 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1sq3 n ARG 66 Cb 0.55 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1sq3 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sq3 n GLY 67 N 1.19 0.33 2.56 -0.13 0.00 -0.94 -4.46 105.19 103.74 1sq3 n GLY 67 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1sq3 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq3 n GLY 68 N -2.00 -0.05 3.02 -0.02 0.00 -0.30 -4.97 105.19 100.86 1sq3 n GLY 68 Ca 0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 1sq3 n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sq3 s ARG 69 N -4.45 1.80 -0.31 1.61 6.06 -1.26 -4.03 118.95 118.37 1sq3 s ARG 69 Ca 0.46 -0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 52.97 1sq3 s ARG 69 Cb -0.02 -1.54 0.02 0.00 0.06 0.00 0.00 34.95 33.46 1sq3 s ARG 69 CO 0.31 -0.03 1.08 0.08 -2.50 0.00 0.00 175.30 174.25 1sq3 s VAL 70 N 0.86 4.51 -0.19 7.11 1.01 -1.26 -4.98 120.40 127.45 1sq3 s VAL 70 Ca -0.10 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 1sq3 s VAL 70 Cb -0.15 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1sq3 s VAL 70 CO 0.01 -0.45 0.35 -0.75 0.00 0.00 0.00 175.10 174.27 1sq3 s LYS 71 N 3.63 4.19 -0.04 2.72 2.36 -1.26 -5.09 119.74 126.25 1sq3 s LYS 71 Ca 0.46 0.13 -0.15 0.00 -2.55 0.00 0.00 55.97 53.86 1sq3 s LYS 71 Cb -0.13 -3.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.09 1sq3 s LYS 71 CO 0.15 0.04 0.40 -0.51 1.55 0.00 0.00 175.35 176.97 1sq3 s LEU 72 N 1.07 4.42 0.33 5.43 1.43 -1.26 -4.87 118.68 125.24 1sq3 s LEU 72 Ca 0.17 0.88 0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1sq3 s LEU 72 Cb -0.14 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1sq3 s LEU 72 CO 0.07 0.26 0.07 -0.31 0.23 0.00 0.00 176.35 176.67 1sq3 s TYR 73 N -0.69 2.63 0.53 0.29 2.02 -1.26 -5.10 117.35 115.76 1sq3 s TYR 73 Ca 0.23 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.33 1sq3 s TYR 73 Cb -0.16 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.81 1sq3 s TYR 73 CO 0.12 0.43 0.96 0.00 -1.57 0.00 0.00 175.55 175.49 1sq3 n ALA 74 N -1.03 0.14 -2.59 3.71 0.00 -1.26 -4.97 120.51 114.51 1sq3 n ALA 74 Ca -0.04 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1sq3 n ALA 74 Cb 0.61 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.87 1sq3 n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sq3 s VAL 75 N -1.44 5.31 0.30 0.00 1.01 -1.26 -5.06 120.40 119.27 1sq3 s VAL 75 Ca 0.70 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1sq3 s VAL 75 Cb -0.47 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 1sq3 s VAL 75 CO 0.52 0.25 1.54 -0.62 0.00 0.00 0.00 175.10 176.79 1sq3 n GLU 76 N 5.06 2.59 -1.64 2.72 -0.58 -1.26 -4.91 120.64 122.63 1sq3 n GLU 76 Ca -0.14 0.92 -0.54 0.00 -0.42 0.00 0.00 57.16 56.98 1sq3 n GLU 76 Cb 0.52 -2.67 -0.06 0.00 -0.57 0.00 0.00 31.44 28.66 1sq3 n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1sq3 n GLU 77 N 1.80 1.21 -2.85 3.49 2.13 -1.26 -4.97 120.64 120.20 1sq3 n GLU 77 Ca 0.08 0.44 -0.23 0.00 0.66 0.00 0.00 57.16 58.10 1sq3 n GLU 77 Cb 0.36 -2.11 0.02 0.00 0.27 0.00 0.00 31.44 29.98 1sq3 n GLU 77 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1sq3 s PRO 78 N 1.72 2.98 0.97 5.31 0.04 -1.26 -5.09 135.00 139.67 1sq3 s PRO 78 Ca 0.90 -0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 1sq3 s PRO 78 Cb -0.98 -2.50 0.18 0.00 0.04 0.00 0.00 34.50 31.23 1sq3 s PRO 78 CO 0.54 -0.39 1.12 -1.25 0.04 0.00 0.00 177.00 177.05 1sq3 s PRO 79 N -4.65 0.59 0.00 0.56 0.04 -1.26 -4.99 135.00 125.29 1sq3 s PRO 79 Ca 0.50 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1sq3 s PRO 79 Cb -0.10 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1sq3 s PRO 79 CO 0.39 -2.87 0.00 -1.13 0.04 0.00 0.00 177.00 173.43 1sq3 n SER 80 N -4.39 1.43 -4.19 6.66 3.41 -1.26 -4.87 113.62 110.41 1sq3 n SER 80 Ca 0.10 -0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1sq3 n SER 80 Cb 0.53 0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 64.81 1sq3 n SER 80 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sq3 s GLU 81 N -0.73 0.89 0.00 4.33 0.41 -1.26 -4.63 118.70 117.72 1sq3 s GLU 81 Ca 0.00 -1.15 -0.02 0.00 -0.41 0.00 0.00 54.97 53.39 1sq3 s GLU 81 Cb 0.00 -0.67 -0.01 0.00 -1.78 0.00 0.00 34.13 31.67 1sq3 s GLU 81 CO 0.00 0.12 0.04 -1.58 -0.49 0.00 0.00 175.26 173.35 1sq3 s TRP 82 N -2.19 0.11 0.39 1.61 0.51 -1.26 -5.04 118.94 113.07 1sq3 s TRP 82 Ca 0.05 -0.24 0.25 0.00 -2.12 0.00 0.00 56.10 54.05 1sq3 s TRP 82 Cb -0.04 -0.09 1.34 0.00 -0.81 0.00 0.00 33.47 33.86 1sq3 s TRP 82 CO 0.01 -0.17 2.03 -0.44 -0.51 0.00 0.00 176.95 177.88 1sq3 h ASP 83 N 4.97 0.00 -5.39 2.95 3.32 -2.01 -3.46 116.42 116.80 1sq3 h ASP 83 Ca -0.29 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.97 1sq3 h ASP 83 Cb 1.20 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1sq3 h ASP 83 CO 0.43 0.15 0.57 -0.94 -1.72 0.00 0.00 179.24 177.72 1sq3 s SER 84 N -6.26 -0.16 0.31 6.45 1.04 -1.26 -4.98 113.70 108.84 1sq3 s SER 84 Ca -0.03 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1sq3 s SER 84 Cb 0.13 0.41 0.53 0.00 0.10 0.00 0.00 66.02 67.19 1sq3 s SER 84 CO 0.60 -0.75 1.94 -0.65 0.98 0.00 0.00 173.24 175.36 1sq3 h PRO 85 N 2.00 0.99 -0.53 4.02 0.11 -2.00 -2.11 132.00 134.48 1sq3 h PRO 85 Ca -0.25 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1sq3 h PRO 85 Cb 1.22 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1sq3 h PRO 85 CO 0.26 0.66 0.29 1.25 -0.21 0.00 0.00 178.00 180.25 1sq3 h LEU 86 N 1.02 0.67 -1.28 2.35 5.85 -1.95 -2.45 115.31 119.51 1sq3 h LEU 86 Ca 0.35 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1sq3 h LEU 86 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1sq3 h LEU 86 CO -0.12 0.57 -0.13 0.00 -0.34 0.00 0.00 178.44 178.42 1sq3 h ALA 87 N 1.13 1.41 -0.32 1.25 0.00 -1.84 0.17 119.26 121.06 1sq3 h ALA 87 Ca 0.19 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1sq3 h ALA 87 Cb 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sq3 h ALA 87 CO -0.03 0.41 -0.47 0.00 0.00 0.00 0.00 179.25 179.16 1sq3 h ALA 88 N 1.56 0.57 0.00 0.00 0.00 -1.12 0.13 119.26 120.40 1sq3 h ALA 88 Ca 0.06 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 1sq3 h ALA 88 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sq3 h ALA 88 CO 0.02 0.68 -0.89 0.74 0.00 0.00 0.00 179.25 179.80 1sq3 h PHE 89 N 0.67 0.02 -0.81 0.00 -1.00 -1.29 0.23 116.94 114.77 1sq3 h PHE 89 Ca 0.04 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.83 1sq3 h PHE 89 Cb 1.06 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.57 1sq3 h PHE 89 CO 0.06 0.89 0.53 0.93 -1.61 0.00 0.00 178.31 179.11 1sq3 h GLU 90 N 0.01 1.01 -0.68 1.51 5.08 -0.49 0.12 114.58 121.13 1sq3 h GLU 90 Ca -0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1sq3 h GLU 90 Cb 1.57 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1sq3 h GLU 90 CO 0.12 0.67 0.14 1.25 -1.00 0.00 0.00 179.01 180.18 1sq3 h HIS 91 N 1.04 1.18 0.56 4.33 2.76 -0.39 -2.22 115.15 122.41 1sq3 h HIS 91 Ca 0.32 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1sq3 h HIS 91 Cb -0.03 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 1sq3 h HIS 91 CO -0.02 0.98 -0.41 0.28 -1.30 0.00 0.00 177.93 177.45 1sq3 h VAL 92 N 1.05 0.17 -0.64 5.26 2.07 0.06 0.09 116.25 124.31 1sq3 h VAL 92 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.85 1sq3 h VAL 92 Cb 0.41 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 1sq3 h VAL 92 CO 0.01 0.00 0.19 0.22 0.02 0.00 0.00 177.57 178.01 1sq3 h TYR 93 N -0.94 0.32 -0.35 1.57 3.20 -0.69 -0.62 116.97 119.46 1sq3 h TYR 93 Ca -0.06 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 1sq3 h TYR 93 Cb 0.79 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1sq3 h TYR 93 CO -0.15 0.02 -0.40 1.49 -1.64 0.00 0.00 178.16 177.48 1sq3 h GLU 94 N 0.34 0.85 -0.52 1.82 4.57 -1.20 -0.12 114.58 120.33 1sq3 h GLU 94 Ca 0.34 -0.45 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1sq3 h GLU 94 Cb 0.49 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1sq3 h GLU 94 CO -0.38 1.09 0.13 1.25 -1.18 0.00 0.00 179.01 179.92 1sq3 h HIS 95 N 0.70 0.81 -0.39 0.92 2.76 -0.27 -1.75 115.15 117.92 1sq3 h HIS 95 Ca 0.05 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 58.01 1sq3 h HIS 95 Cb 0.97 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1sq3 h HIS 95 CO 0.06 0.68 -0.32 0.93 -1.30 0.00 0.00 177.93 177.98 1sq3 h GLU 96 N 0.76 0.90 -0.46 5.26 4.39 -0.42 -1.13 114.58 123.89 1sq3 h GLU 96 Ca 0.17 -0.45 0.05 0.00 0.34 0.00 0.00 59.36 59.47 1sq3 h GLU 96 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1sq3 h GLU 96 CO -0.00 1.10 0.31 0.28 -1.16 0.00 0.00 179.01 179.54 1sq3 h VAL 97 N 0.71 1.00 -0.17 3.13 2.07 -0.38 -0.83 116.25 121.77 1sq3 h VAL 97 Ca 0.07 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 1sq3 h VAL 97 Cb 0.90 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1sq3 h VAL 97 CO 0.08 0.08 -0.39 0.78 0.02 0.00 0.00 177.57 178.14 1sq3 h ASN 98 N 0.43 0.64 -0.83 0.57 2.35 -0.86 -2.21 115.58 115.69 1sq3 h ASN 98 Ca 0.20 -0.56 0.08 0.00 -0.55 0.00 0.00 56.30 55.46 1sq3 h ASN 98 Cb 0.23 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1sq3 h ASN 98 CO -0.05 1.09 0.49 0.58 -1.65 0.00 0.00 177.43 177.89 1sq3 h VAL 99 N 0.23 0.96 0.33 2.81 2.07 -0.52 -1.06 116.25 121.07 1sq3 h VAL 99 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1sq3 h VAL 99 Cb 0.99 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1sq3 h VAL 99 CO 0.09 0.16 -0.32 0.74 0.02 0.00 0.00 177.57 178.25 1sq3 h THR 100 N 0.85 0.33 -0.95 2.57 2.02 -1.15 -0.82 112.91 115.76 1sq3 h THR 100 Ca 0.38 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.84 1sq3 h THR 100 Cb 0.28 0.33 -0.15 0.00 -1.74 0.00 0.00 68.15 66.87 1sq3 h THR 100 CO -0.21 0.00 0.42 0.50 0.37 0.00 0.00 175.52 176.59 1sq3 h LYS 101 N -0.68 0.27 -0.43 6.66 3.64 -1.14 0.21 116.57 125.10 1sq3 h LYS 101 Ca -0.02 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1sq3 h LYS 101 Cb 0.62 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1sq3 h LYS 101 CO -0.06 0.18 -0.14 0.00 -2.27 0.00 0.00 179.45 177.16 1sq3 h ARG 102 N 0.28 0.86 -0.41 1.90 3.08 -0.27 -1.41 114.38 118.41 1sq3 h ARG 102 Ca 0.65 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 60.25 1sq3 h ARG 102 Cb 1.41 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 1sq3 h ARG 102 CO -0.63 0.99 -0.16 0.82 -1.07 0.00 0.00 179.97 179.91 1sq3 h ILE 103 N 0.69 1.26 -0.55 2.04 5.03 -0.25 -1.77 117.51 123.96 1sq3 h ILE 103 Ca 0.11 -1.25 -0.03 0.00 -0.12 0.00 0.00 64.86 63.57 1sq3 h ILE 103 Cb 0.69 1.12 -0.03 0.00 -3.03 0.00 0.00 36.82 35.57 1sq3 h ILE 103 CO 0.05 0.42 0.22 0.45 -0.68 0.00 0.00 178.15 178.61 1sq3 h HIS 104 N 0.69 0.79 -0.39 1.37 3.86 -0.27 0.14 115.15 121.35 1sq3 h HIS 104 Ca 0.11 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 1sq3 h HIS 104 Cb 0.66 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1sq3 h HIS 104 CO 0.03 0.61 -0.24 0.93 0.86 0.00 0.00 177.93 180.13 1sq3 h GLU 105 N 0.78 0.78 -0.54 2.45 5.08 -0.87 -1.54 114.58 120.71 1sq3 h GLU 105 Ca 0.19 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1sq3 h GLU 105 Cb 0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1sq3 h GLU 105 CO -0.02 0.94 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.85 1sq3 h LEU 106 N 0.68 0.91 -0.82 1.33 3.38 -0.51 -2.79 115.31 117.49 1sq3 h LEU 106 Ca 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1sq3 h LEU 106 Cb 0.75 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1sq3 h LEU 106 CO 0.06 0.97 0.28 0.58 0.09 0.00 0.00 178.44 180.42 1sq3 h VAL 107 N 0.86 1.26 0.00 1.22 2.07 -0.43 -2.24 116.25 119.00 1sq3 h VAL 107 Ca 0.16 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1sq3 h VAL 107 Cb 0.52 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sq3 h VAL 107 CO 0.03 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1sq3 n GLU 108 N -4.27 0.58 -0.72 1.57 1.02 -0.63 -4.69 120.64 113.50 1sq3 n GLU 108 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1sq3 n GLU 108 Cb 0.20 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sq3 n ALA 110 N 0.80 -0.16 0.00 0.62 0.00 -0.84 -4.60 120.51 116.32 1sq3 n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sq3 n ALA 110 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1sq3 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sq3 n GLN 112 N -0.54 0.00 0.00 0.00 6.02 -1.26 -1.02 117.38 120.58 1sq3 n GLN 112 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1sq3 n GLN 112 Cb 0.08 0.00 0.43 0.00 1.02 0.00 0.00 30.24 31.77 1sq3 n GLN 112 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1sq3 n GLU 113 N 0.00 0.97 -2.88 -1.09 1.02 -1.26 -4.93 120.64 112.46 1sq3 n GLU 113 Ca 0.00 -0.55 -0.22 0.00 -0.02 0.00 0.00 57.16 56.37 1sq3 n GLU 113 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1sq3 n GLU 113 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sq3 n LYS 114 N -0.53 -4.22 -2.73 3.49 5.02 -0.46 -4.90 118.16 113.82 1sq3 n LYS 114 Ca 0.14 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 56.92 1sq3 n LYS 114 Cb 0.34 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.62 1sq3 n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sq3 n ASP 115 N -2.36 5.09 -0.20 4.39 -0.08 -0.19 -4.82 116.55 118.38 1sq3 n ASP 115 Ca -0.14 -2.98 -0.04 0.00 -1.51 0.00 0.00 54.79 50.12 1sq3 n ASP 115 Cb 0.63 -1.60 0.15 0.00 2.34 0.00 0.00 41.12 42.64 1sq3 n ASP 115 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sq3 h PHE 116 N 6.98 1.00 -0.20 -0.67 0.04 -1.91 -1.03 116.94 121.16 1sq3 h PHE 116 Ca 0.37 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 61.09 1sq3 h PHE 116 Cb 0.83 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1sq3 h PHE 116 CO 1.21 0.79 -0.00 0.00 -0.60 0.00 0.00 178.31 179.70 1sq3 h ALA 117 N 1.29 0.17 -0.28 2.45 0.00 -1.97 -0.48 119.26 120.45 1sq3 h ALA 117 Ca 0.22 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1sq3 h ALA 117 Cb 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sq3 h ALA 117 CO -0.01 -0.44 -0.29 1.15 0.00 0.00 0.00 179.25 179.66 1sq3 h THR 118 N 0.06 1.28 -0.16 0.00 2.02 -1.89 -1.56 112.91 112.66 1sq3 h THR 118 Ca 0.09 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 65.91 1sq3 h THR 118 Cb 0.12 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1sq3 h THR 118 CO -0.16 0.44 0.07 0.22 0.37 0.00 0.00 175.52 176.46 1sq3 h TYR 119 N 0.49 0.12 -0.21 3.16 3.20 -0.62 -1.18 116.97 121.94 1sq3 h TYR 119 Ca 0.06 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1sq3 h TYR 119 Cb 0.75 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1sq3 h TYR 119 CO 0.03 0.07 0.02 -0.97 -1.64 0.00 0.00 178.16 175.67 1sq3 h ASN 120 N 0.15 0.34 -0.85 -2.11 -0.73 -1.01 -2.45 115.58 108.92 1sq3 h ASN 120 Ca 0.07 -0.28 0.16 0.00 1.87 0.00 0.00 56.30 58.12 1sq3 h ASN 120 Cb 0.03 -0.09 -0.10 0.00 0.27 0.00 0.00 38.32 38.42 1sq3 h ASN 120 CO -0.06 0.53 0.42 0.15 -0.37 0.00 0.00 177.43 178.10 1sq3 h PHE 121 N 0.13 0.72 0.00 0.67 3.57 -1.15 -1.14 116.94 119.75 1sq3 h PHE 121 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1sq3 h PHE 121 Cb 0.34 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1sq3 h PHE 121 CO 0.02 0.12 0.00 1.28 -2.23 0.00 0.00 178.31 177.51 1sq3 n LEU 122 N -4.92 0.29 0.23 0.59 4.77 -0.46 -3.22 117.00 114.28 1sq3 n LEU 122 Ca 0.18 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.80 1sq3 n LEU 122 Cb 0.48 -0.50 0.55 0.00 -2.33 0.00 0.00 43.42 41.62 1sq3 n LEU 122 CO 0.19 -0.29 0.86 1.56 -1.33 0.00 0.00 177.39 178.38 1sq3 h GLN 123 N 0.00 0.00 -0.71 3.23 1.08 -1.07 0.86 115.11 118.50 1sq3 h GLN 123 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1sq3 h GLN 123 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1sq3 h GLN 123 CO 0.00 0.22 0.40 2.35 -0.95 0.00 0.00 178.83 180.85 1sq3 h TRP 124 N 0.00 0.97 0.00 2.96 7.01 -1.72 -1.55 115.95 123.62 1sq3 h TRP 124 Ca -0.00 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 1sq3 h TRP 124 Cb 0.49 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1sq3 h TRP 124 CO 0.00 0.68 -0.43 1.88 -2.79 0.00 0.00 178.44 177.77 1sq3 h TYR 125 N 0.97 0.00 -0.28 2.65 -1.99 -1.07 0.56 116.97 117.81 1sq3 h TYR 125 Ca 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 1sq3 h TYR 125 Cb 0.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1sq3 h TYR 125 CO -0.00 0.43 0.14 0.28 -0.00 0.00 0.00 178.16 179.01 1sq3 h VAL 126 N 0.00 1.15 -0.38 -2.88 2.07 -0.56 -0.87 116.25 114.78 1sq3 h VAL 126 Ca -0.00 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1sq3 h VAL 126 Cb 0.90 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1sq3 h VAL 126 CO 0.06 0.15 -0.32 0.00 0.02 0.00 0.00 177.57 177.48 1sq3 h ALA 127 N 1.00 0.55 -0.75 1.67 0.00 -0.97 -2.83 119.26 117.92 1sq3 h ALA 127 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1sq3 h ALA 127 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sq3 h ALA 127 CO -0.01 0.60 0.40 1.49 0.00 0.00 0.00 179.25 181.73 1sq3 h GLU 128 N 0.70 1.06 0.00 0.00 4.57 -0.75 -2.42 114.58 117.73 1sq3 h GLU 128 Ca 0.07 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1sq3 h GLU 128 Cb 0.90 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1sq3 h GLU 128 CO 0.08 0.80 -0.18 1.96 -1.18 0.00 0.00 179.01 180.49 1sq3 h GLN 129 N 1.05 0.00 -0.01 1.92 1.08 -0.92 0.26 115.11 118.48 1sq3 h GLN 129 Ca 0.26 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.48 1sq3 h GLN 129 Cb 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1sq3 h GLN 129 CO -0.04 0.18 -0.07 0.28 -0.95 0.00 0.00 178.83 178.22 1sq3 h VAL 130 N 0.00 0.81 -0.46 -0.54 2.07 -1.26 -1.98 116.25 114.90 1sq3 h VAL 130 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1sq3 h VAL 130 Cb 0.42 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1sq3 h VAL 130 CO 0.02 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.71 1sq3 h GLU 131 N -0.12 0.69 -0.52 1.57 4.22 -1.17 -2.30 114.58 116.95 1sq3 h GLU 131 Ca 0.03 -0.13 0.09 0.00 0.08 0.00 0.00 59.36 59.44 1sq3 h GLU 131 Cb 0.16 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1sq3 h GLU 131 CO -0.08 0.63 0.10 0.93 -2.18 0.00 0.00 179.01 178.41 1sq3 h GLU 132 N 0.59 0.22 -0.18 1.92 4.39 -0.80 -1.03 114.58 119.70 1sq3 h GLU 132 Ca 0.15 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1sq3 h GLU 132 Cb 0.21 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1sq3 h GLU 132 CO -0.01 0.15 -0.03 0.93 -1.16 0.00 0.00 179.01 178.89 1sq3 h GLU 133 N 0.23 0.35 -0.65 2.33 5.08 -1.27 -2.67 114.58 117.97 1sq3 h GLU 133 Ca 0.26 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1sq3 h GLU 133 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1sq3 h GLU 133 CO -0.35 0.59 0.25 0.00 -1.00 0.00 0.00 179.01 178.50 1sq3 h ALA 134 N 0.75 0.85 -0.66 3.43 0.00 -1.07 0.14 119.26 122.70 1sq3 h ALA 134 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1sq3 h ALA 134 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sq3 h ALA 134 CO 0.02 0.48 0.22 0.77 0.00 0.00 0.00 179.25 180.73 1sq3 h SER 135 N 0.93 0.94 -0.18 0.00 0.02 -1.23 -1.13 113.55 112.89 1sq3 h SER 135 Ca 0.22 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1sq3 h SER 135 Cb 0.23 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1sq3 h SER 135 CO -0.02 0.89 -0.14 0.00 -1.14 0.00 0.00 176.83 176.42 1sq3 h ALA 136 N 1.09 0.26 -0.03 3.77 0.00 -1.09 -3.12 119.26 120.13 1sq3 h ALA 136 Ca 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sq3 h ALA 136 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sq3 h ALA 136 CO -0.01 0.14 0.01 1.25 0.00 0.00 0.00 179.25 180.64 1sq3 h LEU 137 N 0.08 0.03 -0.92 0.00 5.85 -0.61 -0.10 115.31 119.65 1sq3 h LEU 137 Ca 0.03 -0.09 0.26 0.00 0.84 0.00 0.00 57.88 58.92 1sq3 h LEU 137 Cb 0.66 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.54 1sq3 h LEU 137 CO 0.04 0.11 0.32 0.44 -0.34 0.00 0.00 178.44 179.01 1sq3 h ASP 138 N -0.05 0.12 0.59 1.25 3.32 -1.29 0.36 116.42 120.73 1sq3 h ASP 138 Ca 0.01 0.20 -0.23 0.00 0.02 0.00 0.00 57.03 57.03 1sq3 h ASP 138 Cb 0.09 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1sq3 h ASP 138 CO -0.00 -0.16 -1.03 0.40 -1.72 0.00 0.00 179.24 176.73 1sq3 h ILE 139 N 0.23 1.50 -0.35 0.35 2.04 -1.30 0.12 117.51 120.10 1sq3 h ILE 139 Ca 0.61 -2.82 0.05 0.00 1.00 0.00 0.00 64.86 63.69 1sq3 h ILE 139 Cb 1.28 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.98 1sq3 h ILE 139 CO -0.65 0.82 0.10 0.58 0.00 0.00 0.00 178.15 179.00 1sq3 h VAL 140 N 0.11 0.87 -0.27 1.67 2.07 0.93 -1.83 116.25 119.79 1sq3 h VAL 140 Ca -0.08 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1sq3 h VAL 140 Cb 1.71 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1sq3 h VAL 140 CO 0.16 0.04 0.16 -0.33 0.02 0.00 0.00 177.57 177.63 1sq3 h GLU 141 N 0.24 0.36 -0.80 1.57 4.39 -0.19 -1.20 114.58 118.94 1sq3 h GLU 141 Ca 0.16 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.93 1sq3 h GLU 141 Cb 0.16 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 141 CO -0.19 0.29 0.45 0.87 -1.16 0.00 0.00 179.01 179.27 1sq3 h LYS 142 N 0.33 0.72 0.00 2.33 1.79 -0.86 0.13 116.57 121.02 1sq3 h LYS 142 Ca 0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1sq3 h LYS 142 Cb 0.02 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1sq3 h LYS 142 CO -0.02 0.47 0.00 -0.07 -1.08 0.00 0.00 179.45 178.76 1sq3 h LEU 143 N 0.74 0.00 0.13 2.94 3.38 -0.99 -1.60 115.31 119.91 1sq3 h LEU 143 Ca 0.39 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.15 1sq3 h LEU 143 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.17 1sq3 h LEU 143 CO -0.26 0.00 -0.91 0.03 0.09 0.00 0.00 178.44 177.39 1sq3 h ARG 144 N 0.00 0.39 0.00 1.13 3.08 0.13 -3.05 114.38 116.06 1sq3 h ARG 144 Ca 0.00 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 1sq3 h ARG 144 Cb 0.71 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1sq3 h ARG 144 CO 0.00 1.26 -0.06 1.25 -1.07 0.00 0.00 179.97 181.35 1sq3 h LEU 145 N -0.18 0.00 0.00 3.04 6.46 -0.70 -2.15 115.31 121.77 1sq3 h LEU 145 Ca -0.15 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.50 1sq3 h LEU 145 Cb 1.68 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 1sq3 h LEU 145 CO 0.17 0.06 -0.83 0.40 -0.62 0.00 0.00 178.44 177.62 1sq3 h ILE 146 N 0.00 0.61 0.00 4.05 2.04 -1.36 -3.47 117.51 119.38 1sq3 h ILE 146 Ca -0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1sq3 h ILE 146 Cb 0.11 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1sq3 h ILE 146 CO 0.01 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1sq3 n GLY 147 N 1.27 1.79 0.15 5.37 0.00 -0.81 -1.63 105.19 111.33 1sq3 n GLY 147 Ca -0.02 0.51 0.10 0.00 0.00 0.00 0.00 46.02 46.61 1sq3 n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sq3 n GLU 148 N 2.54 0.49 -2.38 1.61 -0.58 -1.26 -4.88 120.64 116.18 1sq3 n GLU 148 Ca 0.00 -0.30 -0.42 0.00 -0.42 0.00 0.00 57.16 56.01 1sq3 n GLU 148 Cb 0.00 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 1sq3 n GLU 148 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1sq3 s ASP 149 N -2.79 6.27 0.33 1.62 -1.08 -0.64 -4.88 116.67 115.50 1sq3 s ASP 149 Ca 0.11 0.60 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 1sq3 s ASP 149 Cb 0.16 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.56 1sq3 s ASP 149 CO 0.76 -1.53 1.62 0.11 0.52 0.00 0.00 175.17 176.65 1sq3 h LYS 150 N 10.79 0.00 -0.09 4.34 1.57 -1.90 -2.54 116.57 128.74 1sq3 h LYS 150 Ca -0.27 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 1sq3 h LYS 150 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1sq3 h LYS 150 CO 1.12 0.00 -0.63 0.00 -0.57 0.00 0.00 179.45 179.38 1sq3 h ARG 151 N 0.00 0.34 0.05 3.15 3.08 -1.99 -2.13 114.38 116.89 1sq3 h ARG 151 Ca 0.00 -0.24 -0.23 0.00 0.07 0.00 0.00 59.98 59.58 1sq3 h ARG 151 Cb 0.90 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1sq3 h ARG 151 CO 0.00 0.86 -1.03 0.00 -1.07 0.00 0.00 179.97 178.73 1sq3 h ALA 152 N 1.08 0.33 -0.58 0.04 0.00 -1.92 -2.56 119.26 115.65 1sq3 h ALA 152 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1sq3 h ALA 152 Cb 1.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1sq3 h ALA 152 CO 0.10 0.99 0.35 1.25 0.00 0.00 0.00 179.25 181.94 1sq3 h LEU 153 N 0.09 0.70 -1.00 0.00 5.85 -1.39 -1.66 115.31 117.89 1sq3 h LEU 153 Ca -0.07 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 1sq3 h LEU 153 Cb 1.72 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1sq3 h LEU 153 CO 0.16 0.55 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.32 1sq3 h LEU 154 N 0.78 0.16 -0.29 2.25 3.38 -1.33 0.19 115.31 120.46 1sq3 h LEU 154 Ca 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1sq3 h LEU 154 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sq3 h LEU 154 CO -0.04 0.57 0.12 0.15 0.09 0.00 0.00 178.44 179.34 1sq3 h PHE 155 N 0.13 0.43 0.00 1.13 3.57 -1.16 -0.84 116.94 120.20 1sq3 h PHE 155 Ca 0.01 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1sq3 h PHE 155 Cb 0.81 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1sq3 h PHE 155 CO 0.01 0.42 -0.35 1.25 -2.23 0.00 0.00 178.31 177.41 1sq3 h LEU 156 N 0.32 0.00 -0.51 0.59 5.85 -1.00 -2.21 115.31 118.35 1sq3 h LEU 156 Ca 0.10 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1sq3 h LEU 156 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1sq3 h LEU 156 CO -0.01 0.35 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.61 1sq3 h ASP 157 N 0.00 0.93 0.18 1.25 3.58 -0.46 -1.62 116.42 120.27 1sq3 h ASP 157 Ca -0.00 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 56.98 1sq3 h ASP 157 Cb 0.63 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1sq3 h ASP 157 CO 0.05 1.04 -0.48 0.50 -2.88 0.00 0.00 179.24 177.46 1sq3 h LYS 158 N 0.80 0.36 -0.61 0.28 3.64 -0.77 -2.43 116.57 117.83 1sq3 h LYS 158 Ca 0.14 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1sq3 h LYS 158 Cb 0.59 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1sq3 h LYS 158 CO 0.04 0.76 0.07 0.93 -2.27 0.00 0.00 179.45 178.97 1sq3 h GLU 159 N 0.29 1.03 0.00 1.90 5.08 -1.07 -2.80 114.58 119.01 1sq3 h GLU 159 Ca 0.02 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1sq3 h GLU 159 Cb 0.95 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1sq3 h GLU 159 CO 0.08 0.98 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.85 1sq3 h LEU 160 N 0.93 0.00 -0.11 1.33 4.07 -1.08 -1.05 115.31 119.40 1sq3 h LEU 160 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1sq3 h LEU 160 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1sq3 h LEU 160 CO 0.02 0.15 0.00 -1.54 -1.08 0.00 0.00 178.44 175.99 1sq3 n SER 161 N -3.33 0.17 0.07 -0.43 3.41 -0.94 -2.64 113.62 109.93 1sq3 n SER 161 Ca 0.00 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1sq3 n SER 161 Cb 0.37 -0.57 0.35 0.00 -0.26 0.00 0.00 64.21 64.10 1sq3 n SER 161 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sq3 n LEU 162 N -1.67 0.63 -4.77 1.04 4.32 -0.40 -4.91 117.00 111.23 1sq3 n LEU 162 Ca 0.04 0.40 -0.40 0.00 -0.02 0.00 0.00 56.01 56.03 1sq3 n LEU 162 Cb 0.24 -0.30 -0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1sq3 n LEU 162 CO 0.19 -0.09 1.01 -0.60 -1.22 0.00 0.00 177.39 176.69 1sq3 s ARG 163 N -3.10 4.20 0.00 3.23 3.52 -1.08 -5.16 118.95 120.57 1sq3 s ARG 163 Ca 0.10 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1sq3 s ARG 163 Cb 0.14 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1sq3 s ARG 163 CO 0.64 -0.34 0.41 1.04 -0.81 0.00 0.00 175.30 176.23