#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq3 s ILE 4 N 0.00 3.67 0.89 2.46 2.07 -1.26 -4.97 121.20 124.06 1sq3 s ILE 4 Ca 0.00 0.99 -0.10 0.00 -1.41 0.00 0.00 60.65 60.13 1sq3 s ILE 4 Cb 0.00 -3.64 0.13 0.00 0.13 0.00 0.00 42.46 39.08 1sq3 s ILE 4 CO 0.00 -0.03 1.13 -0.94 -1.91 0.00 0.00 174.94 173.19 1sq3 s SER 5 N 2.29 3.23 0.24 4.50 1.04 -1.26 -4.92 113.70 118.82 1sq3 s SER 5 Ca 0.66 2.09 0.02 0.00 0.48 0.00 0.00 55.95 59.19 1sq3 s SER 5 Cb -0.32 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.53 1sq3 s SER 5 CO 0.26 -2.89 1.61 -0.33 0.98 0.00 0.00 173.24 172.87 1sq3 h GLU 6 N -1.72 0.41 0.00 4.02 5.08 -2.05 -2.79 114.58 117.53 1sq3 h GLU 6 Ca -0.44 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1sq3 h GLU 6 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1sq3 h GLU 6 CO 0.44 0.79 0.00 1.17 -1.00 0.00 0.00 179.01 180.41 1sq3 n LYS 7 N -3.99 0.00 0.00 2.33 4.81 -1.26 -1.67 118.16 118.37 1sq3 n LYS 7 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sq3 n LYS 7 Cb 0.53 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.60 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 0.00 3.15 0.31 -1.05 -1.35 118.33 119.47 1sq3 n VAL 9 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 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 0.63 0.00 5.55 4.57 -1.61 0.73 114.58 124.45 1sq3 h GLU 10 Ca 0.00 -0.48 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 1sq3 h GLU 10 Cb 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1sq3 h GLU 10 CO 0.00 1.10 -0.37 0.00 -1.18 0.00 0.00 179.01 178.56 1sq3 h ALA 11 N 0.77 1.13 0.03 2.92 0.00 -1.48 0.14 119.26 122.77 1sq3 h ALA 11 Ca -0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1sq3 h ALA 11 Cb 1.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1sq3 h ALA 11 CO 0.13 0.46 -0.67 -0.07 0.00 0.00 0.00 179.25 179.11 1sq3 h LEU 12 N 0.00 0.53 -1.76 0.00 3.38 -1.75 -2.60 115.31 113.11 1sq3 h LEU 12 Ca -0.00 -0.81 0.10 0.00 0.09 0.00 0.00 57.88 57.26 1sq3 h LEU 12 Cb 0.78 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1sq3 h LEU 12 CO 0.05 1.27 0.36 0.78 0.09 0.00 0.00 178.44 180.99 1sq3 h ASN 13 N -0.15 0.24 0.41 -0.43 2.35 -0.57 0.82 115.58 118.25 1sq3 h ASN 13 Ca -0.09 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.42 1sq3 h ASN 13 Cb 1.40 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1sq3 h ASN 13 CO 0.13 0.14 -1.04 0.03 -1.65 0.00 0.00 177.43 175.04 1sq3 h ARG 14 N 0.27 0.38 -0.15 0.81 2.47 -0.96 -2.85 114.38 114.35 1sq3 h ARG 14 Ca 0.24 -0.47 -0.14 0.00 -1.26 0.00 0.00 59.98 58.36 1sq3 h ARG 14 Cb 0.61 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1sq3 h ARG 14 CO -0.05 1.15 -0.49 0.37 0.56 0.00 0.00 179.97 181.51 1sq3 h GLN 15 N 0.19 0.40 0.06 0.04 5.75 -1.00 -1.00 115.11 119.54 1sq3 h GLN 15 Ca -0.10 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.20 1sq3 h GLN 15 Cb 1.70 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 30.23 1sq3 h GLN 15 CO 0.18 0.80 -0.30 0.82 -2.65 0.00 0.00 178.83 177.68 1sq3 h ILE 16 N 0.31 0.35 -0.85 2.39 2.04 -0.80 0.51 117.51 121.46 1sq3 h ILE 16 Ca 0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.06 1sq3 h ILE 16 Cb 0.98 0.35 -0.11 0.00 -0.74 0.00 0.00 36.82 37.29 1sq3 h ILE 16 CO 0.08 0.00 0.37 -1.13 0.00 0.00 0.00 178.15 177.48 1sq3 h ASN 17 N -0.49 0.36 0.23 1.72 -1.24 -1.39 -0.25 115.58 114.52 1sq3 h ASN 17 Ca 0.05 0.13 -0.11 0.00 0.71 0.00 0.00 56.30 57.08 1sq3 h ASN 17 Cb 0.54 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1sq3 h ASN 17 CO -0.21 0.08 -0.41 0.00 -1.29 0.00 0.00 177.43 175.60 1sq3 h ALA 18 N 1.63 1.11 -0.39 1.57 0.00 -0.08 -0.04 119.26 123.05 1sq3 h ALA 18 Ca 0.50 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1sq3 h ALA 18 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1sq3 h ALA 18 CO -0.46 0.59 -0.34 0.93 0.00 0.00 0.00 179.25 179.97 1sq3 h GLU 19 N 0.20 0.92 -0.53 0.00 4.39 0.12 -1.31 114.58 118.37 1sq3 h GLU 19 Ca 0.02 -0.47 -0.08 0.00 0.34 0.00 0.00 59.36 59.18 1sq3 h GLU 19 Cb 0.82 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1sq3 h GLU 19 CO 0.06 1.12 0.02 0.82 -1.16 0.00 0.00 179.01 179.88 1sq3 h ILE 20 N 0.74 1.25 -0.18 3.13 2.04 -0.98 -1.45 117.51 122.05 1sq3 h ILE 20 Ca 0.07 -1.02 -0.18 0.00 1.00 0.00 0.00 64.86 64.72 1sq3 h ILE 20 Cb 0.93 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1sq3 h ILE 20 CO 0.09 0.37 -0.63 0.22 0.00 0.00 0.00 178.15 178.19 1sq3 h TYR 21 N 0.82 0.84 -0.77 1.37 3.20 -0.93 -0.91 116.97 120.59 1sq3 h TYR 21 Ca 0.16 -0.33 0.16 0.00 3.14 0.00 0.00 58.73 61.86 1sq3 h TYR 21 Cb 0.46 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.47 1sq3 h TYR 21 CO 0.03 1.11 0.26 0.77 -1.64 0.00 0.00 178.16 178.69 1sq3 h SER 22 N 0.48 0.16 -0.68 -2.11 0.02 -1.03 0.33 113.55 110.71 1sq3 h SER 22 Ca -0.01 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1sq3 h SER 22 Cb 1.22 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 1sq3 h SER 22 CO 0.12 0.02 0.22 0.00 -1.14 0.00 0.00 176.83 176.05 1sq3 h ALA 23 N 1.61 1.07 0.00 3.77 0.00 -0.33 -2.03 119.26 123.34 1sq3 h ALA 23 Ca 0.44 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1sq3 h ALA 23 Cb 0.75 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1sq3 h ALA 23 CO -0.48 0.63 -0.98 -0.92 0.00 0.00 0.00 179.25 177.51 1sq3 h TYR 24 N 1.04 0.00 -0.42 0.00 3.20 -0.26 -0.56 116.97 119.97 1sq3 h TYR 24 Ca 0.23 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1sq3 h TYR 24 Cb 0.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1sq3 h TYR 24 CO 0.02 0.98 0.01 1.25 -1.64 0.00 0.00 178.16 178.78 1sq3 h LEU 25 N 0.00 0.71 -0.61 2.82 5.85 -0.20 -0.27 115.31 123.60 1sq3 h LEU 25 Ca -0.01 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.29 1sq3 h LEU 25 Cb 1.74 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1sq3 h LEU 25 CO 0.13 0.83 -0.56 1.88 -0.34 0.00 0.00 178.44 180.38 1sq3 h TYR 26 N 0.56 0.00 -0.23 1.25 0.05 -1.13 -1.98 116.97 115.49 1sq3 h TYR 26 Ca 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.76 1sq3 h TYR 26 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1sq3 h TYR 26 CO 0.04 0.56 -0.45 1.25 -1.05 0.00 0.00 178.16 178.51 1sq3 h LEU 27 N 0.00 0.62 -2.07 3.88 5.85 -0.80 -1.62 115.31 121.17 1sq3 h LEU 27 Ca -0.01 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1sq3 h LEU 27 Cb 1.16 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1sq3 h LEU 27 CO 0.07 0.98 0.00 -0.24 -0.34 0.00 0.00 178.44 178.91 1sq3 n SER 28 N -4.01 0.49 0.00 1.25 2.88 -0.14 -2.35 113.62 111.75 1sq3 n SER 28 Ca -0.02 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 1sq3 n SER 28 Cb 0.54 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.96 0.00 0.03 -1.46 0.00 -0.61 -1.60 120.51 117.83 1sq3 n ALA 30 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1sq3 n ALA 30 Cb 0.08 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.73 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 0.44 -0.42 0.00 0.87 -1.76 -2.18 113.55 110.50 1sq3 h SER 31 Ca 0.00 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 1sq3 h SER 31 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1sq3 h SER 31 CO 0.00 0.73 -0.06 0.22 -0.53 0.00 0.00 176.83 177.18 1sq3 h TYR 32 N 0.37 0.87 -0.34 2.24 3.20 -1.56 -1.83 116.97 119.92 1sq3 h TYR 32 Ca 0.05 -0.18 -0.15 0.00 3.14 0.00 0.00 58.73 61.60 1sq3 h TYR 32 Cb 0.72 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1sq3 h TYR 32 CO 0.02 0.88 -0.35 0.74 -1.64 0.00 0.00 178.16 177.81 1sq3 h PHE 33 N 0.61 1.01 -0.61 -3.82 0.04 -1.81 -1.96 116.94 110.41 1sq3 h PHE 33 Ca 0.11 -0.31 0.11 0.00 2.80 0.00 0.00 57.97 60.69 1sq3 h PHE 33 Cb 0.58 -0.21 -0.09 0.00 2.20 0.00 0.00 35.95 38.43 1sq3 h PHE 33 CO 0.05 1.11 0.13 -0.44 -0.60 0.00 0.00 178.31 178.55 1sq3 h ASP 34 N 0.63 -0.00 -0.01 2.17 3.32 -1.43 -1.08 116.42 120.02 1sq3 h ASP 34 Ca 0.05 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1sq3 h ASP 34 Cb 0.94 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1sq3 h ASP 34 CO 0.09 0.01 0.02 0.77 -1.72 0.00 0.00 179.24 178.41 1sq3 h SER 35 N 0.26 0.00 -0.15 6.45 4.64 -0.55 -1.94 113.55 122.25 1sq3 h SER 35 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1sq3 h SER 35 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1sq3 h SER 35 CO -0.41 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.85 1sq3 n ILE 36 N -3.49 2.00 -1.13 0.95 -5.35 -0.86 -5.00 119.36 106.48 1sq3 n ILE 36 Ca -0.03 -1.94 -0.05 0.00 -0.27 0.00 0.00 62.75 60.47 1sq3 n ILE 36 Cb 0.10 -0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 37.81 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 -0.81 0.73 3.32 3.28 0.00 -0.73 -4.97 105.19 106.01 1sq3 n GLY 37 Ca 0.18 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.04 6.41 0.51 0.99 1.43 -0.48 -4.89 118.68 121.61 1sq3 s LEU 38 Ca 0.00 -3.32 0.20 0.00 -1.03 0.00 0.00 54.13 49.98 1sq3 s LEU 38 Cb 0.00 -2.18 1.30 0.00 0.03 0.00 0.00 46.19 45.33 1sq3 s LEU 38 CO 0.00 -0.37 2.10 0.11 0.23 0.00 0.00 176.35 178.42 1sq3 h LYS 39 N 6.97 0.00 0.30 1.70 1.79 -1.93 -1.53 116.57 123.88 1sq3 h LYS 39 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1sq3 h LYS 39 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1sq3 h LYS 39 CO 0.92 0.09 -0.15 0.78 -1.08 0.00 0.00 179.45 180.01 1sq3 h GLY 40 N 0.34 -0.43 0.97 3.86 0.00 -1.90 0.17 103.07 106.08 1sq3 h GLY 40 Ca -0.00 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1sq3 h GLY 40 CO 0.01 -0.15 0.52 0.74 0.00 0.00 0.00 176.54 177.65 1sq3 h PHE 41 N -0.83 0.98 -0.25 5.60 -1.00 -1.74 0.17 116.94 119.87 1sq3 h PHE 41 Ca -0.04 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.82 1sq3 h PHE 41 Cb 0.52 -0.33 -0.06 0.00 3.61 0.00 0.00 35.95 39.69 1sq3 h PHE 41 CO 0.03 0.60 -0.14 1.03 -1.61 0.00 0.00 178.31 178.22 1sq3 h SER 42 N 1.04 -0.47 -0.15 2.17 0.87 -1.27 -2.18 113.55 113.55 1sq3 h SER 42 Ca 0.30 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 61.01 1sq3 h SER 42 Cb -0.08 0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 1sq3 h SER 42 CO -0.08 -0.18 -0.45 -1.13 -0.53 0.00 0.00 176.83 174.46 1sq3 h ASN 43 N -0.12 -1.41 0.00 6.23 -0.73 0.12 -1.26 115.58 118.41 1sq3 h ASN 43 Ca 0.14 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.49 1sq3 h ASN 43 Cb 0.33 0.57 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1sq3 h ASN 43 CO -0.33 -0.44 0.00 1.87 -0.37 0.00 0.00 177.43 178.17 1sq3 n TRP 44 N -5.44 0.00 0.00 0.67 -0.00 -0.02 -1.71 117.44 110.94 1sq3 n TRP 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1sq3 n TRP 44 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.68 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 0.13 0.00 -0.29 5.87 5.12 -0.48 -1.43 116.66 125.58 1sq3 n ARG 46 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1sq3 n ARG 46 Cb 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.36 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 1.26 0.00 1.55 2.07 -1.61 -2.32 116.25 117.20 1sq3 h VAL 47 Ca 0.00 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1sq3 h VAL 47 Cb 0.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1sq3 h VAL 47 CO 0.00 0.33 -0.26 -0.61 0.02 0.00 0.00 177.57 177.05 1sq3 h GLN 48 N 1.15 0.00 -0.23 1.57 5.75 -1.50 -1.40 115.11 120.44 1sq3 h GLN 48 Ca 0.27 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.57 1sq3 h GLN 48 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1sq3 h GLN 48 CO -0.02 0.26 -0.63 2.35 -2.65 0.00 0.00 178.83 178.14 1sq3 h TRP 49 N 0.00 1.07 -0.20 3.99 2.91 -1.75 -1.44 115.95 120.54 1sq3 h TRP 49 Ca -0.00 -0.42 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1sq3 h TRP 49 Cb 0.90 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.33 1sq3 h TRP 49 CO 0.00 1.25 -0.00 0.37 -1.03 0.00 0.00 178.44 179.03 1sq3 h GLN 50 N 0.59 0.06 -0.77 2.65 5.75 -1.13 -1.83 115.11 120.43 1sq3 h GLN 50 Ca -0.01 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1sq3 h GLN 50 Cb 1.25 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 1sq3 h GLN 50 CO 0.14 0.04 0.27 1.49 -2.65 0.00 0.00 178.83 178.12 1sq3 h GLU 51 N 0.06 1.18 -0.02 1.69 4.81 -1.08 -2.56 114.58 118.66 1sq3 h GLU 51 Ca 0.10 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1sq3 h GLU 51 Cb 0.12 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1sq3 h GLU 51 CO -0.16 0.98 -0.73 0.93 -0.73 0.00 0.00 179.01 179.30 1sq3 h GLU 52 N 1.14 0.16 -1.01 1.92 4.39 -1.05 0.18 114.58 120.31 1sq3 h GLU 52 Ca 0.25 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1sq3 h GLU 52 Cb 0.27 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1sq3 h GLU 52 CO -0.01 0.82 0.00 1.28 -1.16 0.00 0.00 179.01 179.94 1sq3 n LEU 53 N -3.74 0.00 0.00 1.33 4.32 -0.71 -0.76 117.00 117.44 1sq3 n LEU 53 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1sq3 n LEU 53 Cb 0.71 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 1sq3 n LEU 53 CO 0.45 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.03 1sq3 n HIS 55 N 0.73 0.00 0.21 -1.77 8.25 0.05 -4.64 115.22 118.05 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 -0.77 -1.41 0.00 0.06 -4.75 120.51 115.22 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 0.72 -0.98 0.00 0.00 4.81 -1.26 -4.64 118.16 116.80 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 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 -0.64 0.00 -0.07 5.64 -0.00 -1.26 -2.34 117.46 118.79 1sq3 n PHE 60 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 1sq3 n PHE 60 Cb 0.08 0.00 0.17 0.00 -0.00 0.00 0.00 39.48 39.73 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 0.68 -0.02 -2.13 3.32 -1.98 -3.13 116.42 113.16 1sq3 h ASP 61 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1sq3 h ASP 61 Cb 0.00 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1sq3 h ASP 61 CO 0.00 0.82 -0.03 0.15 -1.72 0.00 0.00 179.24 178.46 1sq3 h PHE 62 N 0.63 0.06 -0.92 4.55 3.57 -1.86 -0.95 116.94 122.02 1sq3 h PHE 62 Ca 0.11 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.79 1sq3 h PHE 62 Cb 0.55 -0.01 -0.17 0.00 2.79 0.00 0.00 35.95 39.11 1sq3 h PHE 62 CO 0.03 0.58 -0.14 0.28 -2.23 0.00 0.00 178.31 176.83 1sq3 h VAL 63 N -0.48 0.09 -0.48 1.41 2.07 -1.86 0.49 116.25 117.49 1sq3 h VAL 63 Ca 0.00 -0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1sq3 h VAL 63 Cb 0.58 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1sq3 h VAL 63 CO 0.01 0.00 -0.22 -1.28 0.02 0.00 0.00 177.57 176.10 1sq3 h SER 64 N 0.01 1.01 -0.68 0.57 0.87 -1.46 -1.02 113.55 112.85 1sq3 h SER 64 Ca 0.48 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1sq3 h SER 64 Cb 0.82 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1sq3 h SER 64 CO -0.91 1.18 0.45 -0.33 -0.53 0.00 0.00 176.83 176.69 1sq3 h GLU 65 N 0.85 0.81 0.00 2.24 4.39 0.45 0.20 114.58 123.51 1sq3 h GLU 65 Ca 0.11 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1sq3 h GLU 65 Cb 0.79 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1sq3 h GLU 65 CO 0.07 0.54 0.00 0.54 -1.16 0.00 0.00 179.01 178.99 1sq3 n ARG 66 N -4.45 0.18 0.00 2.33 5.12 -0.28 -4.92 116.66 114.64 1sq3 n ARG 66 Ca 0.08 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1sq3 n ARG 66 Cb 0.11 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 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 1.06 0.42 3.83 -0.13 0.00 0.06 -4.58 105.19 105.84 1sq3 n GLY 67 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1sq3 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sq3 s GLY 68 N -1.73 1.75 -0.06 -0.02 0.00 -0.40 -4.98 107.32 101.88 1sq3 s GLY 68 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1sq3 s GLY 68 CO 0.00 -0.37 -0.13 -1.60 0.00 0.00 0.00 173.10 171.00 1sq3 s ARG 69 N -5.81 1.67 -0.24 2.90 6.06 -1.26 -4.03 118.95 118.23 1sq3 s ARG 69 Ca 0.75 -0.44 -0.25 0.00 -2.50 0.00 0.00 55.73 53.29 1sq3 s ARG 69 Cb -0.04 -1.40 -0.00 0.00 0.06 0.00 0.00 34.95 33.57 1sq3 s ARG 69 CO 0.54 0.07 0.84 0.08 -2.50 0.00 0.00 175.30 174.33 1sq3 s VAL 70 N 0.52 4.83 -0.20 7.11 1.01 -1.26 -4.98 120.40 127.43 1sq3 s VAL 70 Ca -0.12 1.57 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 1sq3 s VAL 70 Cb -0.15 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1sq3 s VAL 70 CO 0.03 -0.09 0.23 -0.75 0.00 0.00 0.00 175.10 174.53 1sq3 s LYS 71 N 2.86 4.19 -0.00 2.72 2.47 -1.26 -5.08 119.74 125.64 1sq3 s LYS 71 Ca 0.35 -0.06 -0.17 0.00 -1.56 0.00 0.00 55.97 54.53 1sq3 s LYS 71 Cb -0.15 -3.47 -0.06 0.00 -1.46 0.00 0.00 37.83 32.70 1sq3 s LYS 71 CO 0.07 0.17 0.48 -0.51 0.16 0.00 0.00 175.35 175.73 1sq3 s LEU 72 N 0.70 4.45 0.34 5.43 1.43 -1.26 -4.89 118.68 124.87 1sq3 s LEU 72 Ca 0.12 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 1sq3 s LEU 72 Cb -0.13 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1sq3 s LEU 72 CO 0.03 0.23 0.13 -0.31 0.23 0.00 0.00 176.35 176.66 1sq3 s TYR 73 N -0.68 2.71 0.66 0.29 2.02 -1.26 -5.11 117.35 115.98 1sq3 s TYR 73 Ca 0.26 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.42 1sq3 s TYR 73 Cb -0.17 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1sq3 s TYR 73 CO 0.15 0.36 0.77 0.00 -1.57 0.00 0.00 175.55 175.26 1sq3 n ALA 74 N -1.13 -0.60 -3.58 3.71 0.00 -1.26 -5.01 120.51 112.64 1sq3 n ALA 74 Ca -0.03 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1sq3 n ALA 74 Cb 0.61 -2.00 -0.14 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.73 3.20 0.35 0.00 1.01 -1.26 -5.06 120.40 116.91 1sq3 s VAL 75 Ca 0.72 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1sq3 s VAL 75 Cb -0.38 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1sq3 s VAL 75 CO 0.52 0.35 1.05 -1.61 0.00 0.00 0.00 175.10 175.41 1sq3 s GLU 76 N 1.43 4.39 0.14 2.72 0.41 -1.26 -4.92 118.70 121.61 1sq3 s GLU 76 Ca 0.04 1.58 -0.33 0.00 -0.41 0.00 0.00 54.97 55.85 1sq3 s GLU 76 Cb -0.15 -2.81 -0.13 0.00 -1.78 0.00 0.00 34.13 29.26 1sq3 s GLU 76 CO -0.04 0.05 1.69 -1.91 -0.49 0.00 0.00 175.26 174.56 1sq3 n GLU 77 N 0.47 2.40 -3.08 1.61 2.13 -1.26 -4.97 120.64 117.94 1sq3 n GLU 77 Ca 0.02 0.87 -0.29 0.00 0.66 0.00 0.00 57.16 58.42 1sq3 n GLU 77 Cb 0.48 -2.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.48 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 1.63 3.68 0.90 5.31 0.04 -1.26 -5.08 135.00 140.22 1sq3 s PRO 78 Ca 0.80 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1sq3 s PRO 78 Cb -0.61 -2.52 0.08 0.00 0.04 0.00 0.00 34.50 31.49 1sq3 s PRO 78 CO 0.38 0.07 0.78 -0.35 0.04 0.00 0.00 177.00 177.92 1sq3 n PRO 79 N -1.24 -0.24 0.00 0.56 -0.04 -1.26 -4.95 135.00 127.83 1sq3 n PRO 79 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1sq3 n PRO 79 Cb 0.54 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1sq3 n PRO 79 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sq3 n SER 80 N -2.52 0.12 -4.24 3.54 3.41 -1.26 -4.88 113.62 107.78 1sq3 n SER 80 Ca 0.10 -0.43 -0.18 0.00 -0.26 0.00 0.00 58.87 58.10 1sq3 n SER 80 Cb 0.52 0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.27 1.02 0.03 4.33 0.41 -1.26 -4.63 118.70 118.33 1sq3 s GLU 81 Ca 0.00 -1.25 -0.11 0.00 -0.41 0.00 0.00 54.97 53.20 1sq3 s GLU 81 Cb 0.00 -0.89 0.01 0.00 -1.78 0.00 0.00 34.13 31.47 1sq3 s GLU 81 CO 0.00 0.17 0.24 -1.58 -0.49 0.00 0.00 175.26 173.60 1sq3 s TRP 82 N -2.18 -0.03 0.20 1.61 0.51 -1.26 -5.04 118.94 112.76 1sq3 s TRP 82 Ca 0.09 -0.13 0.29 0.00 -2.12 0.00 0.00 56.10 54.23 1sq3 s TRP 82 Cb -0.05 0.03 1.23 0.00 -0.81 0.00 0.00 33.47 33.87 1sq3 s TRP 82 CO 0.03 -0.45 1.95 -0.44 -0.51 0.00 0.00 176.95 177.53 1sq3 h ASP 83 N 3.44 0.00 -4.27 2.95 3.32 -2.01 -3.46 116.42 116.40 1sq3 h ASP 83 Ca -0.32 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.92 1sq3 h ASP 83 Cb 1.19 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 1sq3 h ASP 83 CO 0.46 0.12 0.69 -0.94 -1.72 0.00 0.00 179.24 177.86 1sq3 s SER 84 N -5.98 -0.23 0.24 6.45 1.04 -1.26 -4.99 113.70 108.97 1sq3 s SER 84 Ca -0.00 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.33 1sq3 s SER 84 Cb 0.10 0.23 0.29 0.00 0.10 0.00 0.00 66.02 66.74 1sq3 s SER 84 CO 0.59 -0.35 1.55 -0.65 0.98 0.00 0.00 173.24 175.36 1sq3 h PRO 85 N 2.08 -0.00 -0.53 4.02 0.11 -2.00 -0.51 132.00 135.17 1sq3 h PRO 85 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1sq3 h PRO 85 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1sq3 h PRO 85 CO 0.26 -0.00 0.35 1.25 -0.21 0.00 0.00 178.00 179.65 1sq3 h LEU 86 N -0.00 0.61 -0.38 2.35 5.85 -1.96 -1.54 115.31 120.24 1sq3 h LEU 86 Ca 0.37 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.10 1sq3 h LEU 86 Cb 0.63 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1sq3 h LEU 86 CO -0.99 0.45 0.18 0.00 -0.34 0.00 0.00 178.44 177.74 1sq3 h ALA 87 N 1.19 0.46 -0.11 1.25 0.00 -1.76 0.47 119.26 120.76 1sq3 h ALA 87 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1sq3 h ALA 87 Cb -0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1sq3 h ALA 87 CO -0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 179.25 178.71 1sq3 h ALA 88 N 1.21 -0.35 0.00 0.00 0.00 -0.75 -0.75 119.26 118.62 1sq3 h ALA 88 Ca 0.16 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1sq3 h ALA 88 Cb 0.09 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sq3 h ALA 88 CO -0.13 -0.78 -0.33 0.74 0.00 0.00 0.00 179.25 178.75 1sq3 h PHE 89 N -0.39 0.00 -0.61 0.00 0.04 -0.73 -0.06 116.94 115.20 1sq3 h PHE 89 Ca 0.09 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 1sq3 h PHE 89 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1sq3 h PHE 89 CO -0.38 0.33 0.10 0.93 -0.60 0.00 0.00 178.31 178.69 1sq3 h GLU 90 N 0.00 0.98 -0.81 1.51 5.08 0.69 -0.91 114.58 121.13 1sq3 h GLU 90 Ca -0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1sq3 h GLU 90 Cb 0.64 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1sq3 h GLU 90 CO 0.04 0.90 0.45 1.25 -1.00 0.00 0.00 179.01 180.66 1sq3 h HIS 91 N 0.92 1.10 -0.16 4.33 2.76 -0.27 -1.29 115.15 122.55 1sq3 h HIS 91 Ca 0.19 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1sq3 h HIS 91 Cb 0.40 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1sq3 h HIS 91 CO 0.03 0.76 0.06 0.28 -1.30 0.00 0.00 177.93 177.76 1sq3 h VAL 92 N 1.12 0.97 -0.40 5.26 2.07 -0.43 0.15 116.25 124.99 1sq3 h VAL 92 Ca 0.29 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 1sq3 h VAL 92 Cb 0.02 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1sq3 h VAL 92 CO -0.05 0.03 0.03 0.22 0.02 0.00 0.00 177.57 177.81 1sq3 h TYR 93 N 0.14 0.74 -0.74 1.57 3.20 -1.06 -1.14 116.97 119.68 1sq3 h TYR 93 Ca 0.07 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1sq3 h TYR 93 Cb 0.03 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1sq3 h TYR 93 CO -0.11 0.74 0.29 0.93 -1.64 0.00 0.00 178.16 178.38 1sq3 h GLU 94 N 0.52 1.09 -0.40 1.82 5.08 -1.05 -1.63 114.58 120.01 1sq3 h GLU 94 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1sq3 h GLU 94 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1sq3 h GLU 94 CO 0.02 0.89 0.03 1.25 -1.00 0.00 0.00 179.01 180.19 1sq3 h HIS 95 N 1.07 0.75 -0.23 4.33 2.76 -0.37 -1.84 115.15 121.62 1sq3 h HIS 95 Ca 0.25 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 1sq3 h HIS 95 Cb 0.21 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1sq3 h HIS 95 CO 0.02 0.75 -0.26 0.93 -1.30 0.00 0.00 177.93 178.07 1sq3 h GLU 96 N 0.53 0.43 -0.47 5.26 4.39 -1.00 0.05 114.58 123.77 1sq3 h GLU 96 Ca 0.12 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1sq3 h GLU 96 Cb 0.44 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1sq3 h GLU 96 CO 0.02 0.66 0.07 0.28 -1.16 0.00 0.00 179.01 178.88 1sq3 h VAL 97 N 0.38 1.22 -0.32 3.13 2.07 -0.99 0.41 116.25 122.14 1sq3 h VAL 97 Ca 0.06 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.60 1sq3 h VAL 97 Cb 0.66 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sq3 h VAL 97 CO 0.05 0.30 -0.39 -1.13 0.02 0.00 0.00 177.57 176.42 1sq3 h ASN 98 N 0.70 0.90 -0.48 0.57 -1.24 -0.42 -1.28 115.58 114.33 1sq3 h ASN 98 Ca 0.15 -0.49 0.03 0.00 0.71 0.00 0.00 56.30 56.71 1sq3 h ASN 98 Cb 0.32 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1sq3 h ASN 98 CO 0.00 1.21 0.26 0.58 -1.29 0.00 0.00 177.43 178.19 1sq3 h VAL 99 N 0.62 0.99 -0.63 2.57 2.07 -0.64 -0.48 116.25 120.75 1sq3 h VAL 99 Ca 0.04 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1sq3 h VAL 99 Cb 0.98 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1sq3 h VAL 99 CO 0.09 0.09 0.17 0.74 0.02 0.00 0.00 177.57 178.68 1sq3 h THR 100 N 0.51 0.65 -0.65 2.57 2.02 -0.04 -0.28 112.91 117.68 1sq3 h THR 100 Ca 0.20 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 1sq3 h THR 100 Cb 0.08 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1sq3 h THR 100 CO -0.12 0.06 0.20 0.50 0.37 0.00 0.00 175.52 176.53 1sq3 h LYS 101 N 0.30 1.00 -0.20 6.66 3.64 -0.08 0.72 116.57 128.61 1sq3 h LYS 101 Ca 0.33 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1sq3 h LYS 101 Cb 0.49 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1sq3 h LYS 101 CO -0.40 0.86 0.02 0.00 -2.27 0.00 0.00 179.45 177.66 1sq3 h ARG 102 N 0.97 0.35 -0.89 1.90 3.08 -0.50 -1.70 114.38 117.58 1sq3 h ARG 102 Ca 0.21 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.26 1sq3 h ARG 102 Cb 0.27 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1sq3 h ARG 102 CO -0.01 0.52 0.54 0.82 -1.07 0.00 0.00 179.97 180.77 1sq3 h ILE 103 N 0.13 0.94 -0.51 2.04 1.08 -0.37 -1.63 117.51 119.19 1sq3 h ILE 103 Ca 0.06 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 1sq3 h ILE 103 Cb 0.35 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1sq3 h ILE 103 CO 0.01 0.16 0.08 0.45 -0.69 0.00 0.00 178.15 178.16 1sq3 h HIS 104 N 0.89 0.83 -0.74 1.37 3.86 -0.63 -1.99 115.15 118.73 1sq3 h HIS 104 Ca 0.43 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1sq3 h HIS 104 Cb 0.37 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1sq3 h HIS 104 CO -0.04 0.72 0.23 0.93 0.86 0.00 0.00 177.93 180.63 1sq3 h GLU 105 N 0.76 1.16 -0.98 2.45 5.08 -0.44 -1.12 114.58 121.49 1sq3 h GLU 105 Ca 0.16 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1sq3 h GLU 105 Cb 0.34 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1sq3 h GLU 105 CO 0.01 0.98 0.65 -0.07 -1.00 0.00 0.00 179.01 179.58 1sq3 h LEU 106 N 1.11 1.12 -0.26 1.33 3.38 -0.92 -2.74 115.31 118.33 1sq3 h LEU 106 Ca 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1sq3 h LEU 106 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sq3 h LEU 106 CO -0.01 0.80 0.07 0.58 0.09 0.00 0.00 178.44 179.97 1sq3 h VAL 107 N 1.32 1.21 0.00 1.22 2.07 -0.60 -1.40 116.25 120.06 1sq3 h VAL 107 Ca 0.36 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1sq3 h VAL 107 Cb -0.14 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1sq3 h VAL 107 CO -0.08 0.22 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 1sq3 n GLU 108 N -4.71 0.00 -0.36 1.57 -0.58 -0.51 -4.64 120.64 111.41 1sq3 n GLU 108 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1sq3 n GLU 108 Cb 0.18 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sq3 n ALA 110 N 0.06 0.00 0.00 0.62 0.00 -0.53 -4.57 120.51 116.08 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 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.36 0.00 -0.03 0.00 6.02 -1.26 -0.49 117.38 121.26 1sq3 n GLN 112 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1sq3 n GLN 112 Cb 0.00 0.00 0.42 0.00 1.02 0.00 0.00 30.24 31.68 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 1.25 -3.98 -1.09 1.02 -1.26 -4.89 120.64 111.68 1sq3 n GLU 113 Ca 0.00 -0.37 -0.32 0.00 -0.02 0.00 0.00 57.16 56.45 1sq3 n GLU 113 Cb 0.00 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 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 -0.38 -4.00 -2.83 3.49 5.02 -0.98 -4.87 118.16 113.61 1sq3 n LYS 114 Ca 0.13 0.46 -0.44 0.00 -2.02 0.00 0.00 58.31 56.45 1sq3 n LYS 114 Cb 0.14 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 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 -2.65 5.30 -0.16 4.39 -0.08 0.35 -4.82 116.55 118.89 1sq3 n ASP 115 Ca 0.05 -3.05 -0.01 0.00 -1.51 0.00 0.00 54.79 50.27 1sq3 n ASP 115 Cb 0.51 -1.50 0.23 0.00 2.34 0.00 0.00 41.12 42.70 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 6.57 0.87 -0.36 -0.67 0.04 -1.90 0.46 116.94 121.96 1sq3 h PHE 116 Ca 0.32 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.02 1sq3 h PHE 116 Cb 0.79 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1sq3 h PHE 116 CO 1.10 0.64 0.08 0.00 -0.60 0.00 0.00 178.31 179.53 1sq3 h ALA 117 N 1.45 0.47 -0.19 2.45 0.00 -1.96 -0.55 119.26 120.94 1sq3 h ALA 117 Ca 0.22 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1sq3 h ALA 117 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sq3 h ALA 117 CO -0.03 0.15 -0.61 1.15 0.00 0.00 0.00 179.25 179.91 1sq3 h THR 118 N 0.43 1.31 -0.23 0.00 2.02 -1.80 -2.14 112.91 112.51 1sq3 h THR 118 Ca 0.11 -1.86 0.05 0.00 0.77 0.00 0.00 66.41 65.49 1sq3 h THR 118 Cb 0.31 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 1sq3 h THR 118 CO 0.00 0.58 -0.14 0.22 0.37 0.00 0.00 175.52 176.55 1sq3 h TYR 119 N 0.48 -0.35 -0.02 3.16 3.20 -0.72 -1.35 116.97 121.37 1sq3 h TYR 119 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1sq3 h TYR 119 Cb 1.19 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 1sq3 h TYR 119 CO 0.06 -0.21 0.01 -0.97 -1.64 0.00 0.00 178.16 175.41 1sq3 h ASN 120 N -0.13 0.03 -0.98 -2.11 -0.73 -1.03 -2.19 115.58 108.45 1sq3 h ASN 120 Ca 0.13 -0.19 0.30 0.00 1.87 0.00 0.00 56.30 58.40 1sq3 h ASN 120 Cb 0.32 -0.01 -0.15 0.00 0.27 0.00 0.00 38.32 38.76 1sq3 h ASN 120 CO -0.31 0.21 0.51 0.15 -0.37 0.00 0.00 177.43 177.62 1sq3 h PHE 121 N -0.15 0.83 0.00 0.67 3.57 -1.22 -1.23 116.94 119.41 1sq3 h PHE 121 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sq3 h PHE 121 Cb 0.19 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1sq3 h PHE 121 CO -0.01 -0.16 0.00 1.28 -2.23 0.00 0.00 178.31 177.19 1sq3 n LEU 122 N -5.07 0.29 0.15 0.59 4.77 -0.53 -3.09 117.00 114.11 1sq3 n LEU 122 Ca 0.29 0.55 0.04 0.00 -0.03 0.00 0.00 56.01 56.86 1sq3 n LEU 122 Cb 0.90 -0.48 0.47 0.00 -2.33 0.00 0.00 43.42 41.99 1sq3 n LEU 122 CO 0.10 -0.21 0.98 1.56 -1.33 0.00 0.00 177.39 178.49 1sq3 h GLN 123 N 0.00 0.20 -0.92 3.23 1.08 -1.14 0.47 115.11 118.02 1sq3 h GLN 123 Ca 0.00 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1sq3 h GLN 123 Cb 0.45 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 1sq3 h GLN 123 CO 0.00 0.25 0.58 2.35 -0.95 0.00 0.00 178.83 181.06 1sq3 h TRP 124 N 0.19 1.06 -0.02 2.96 7.01 -1.71 -2.01 115.95 123.43 1sq3 h TRP 124 Ca 0.05 0.03 -0.18 0.00 2.11 0.00 0.00 58.89 60.89 1sq3 h TRP 124 Cb 0.20 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1sq3 h TRP 124 CO 0.00 0.50 -0.79 1.88 -2.79 0.00 0.00 178.44 177.24 1sq3 h TYR 125 N 1.01 0.33 -0.32 2.65 -1.99 -0.29 0.27 116.97 118.63 1sq3 h TYR 125 Ca 0.42 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.94 1sq3 h TYR 125 Cb 0.26 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1sq3 h TYR 125 CO -0.02 0.93 0.02 0.28 -0.00 0.00 0.00 178.16 179.37 1sq3 h VAL 126 N 0.14 1.25 -0.39 -2.88 2.07 -1.06 -0.75 116.25 114.63 1sq3 h VAL 126 Ca -0.03 -0.90 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1sq3 h VAL 126 Cb 1.38 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1sq3 h VAL 126 CO 0.12 0.29 -0.31 0.00 0.02 0.00 0.00 177.57 177.70 1sq3 h ALA 127 N 0.86 0.71 -0.98 1.67 0.00 -1.20 -2.83 119.26 117.49 1sq3 h ALA 127 Ca 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1sq3 h ALA 127 Cb 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1sq3 h ALA 127 CO 0.01 0.66 0.65 1.49 0.00 0.00 0.00 179.25 182.06 1sq3 h GLU 128 N 0.73 1.22 -0.11 0.00 4.57 -0.74 -2.71 114.58 117.54 1sq3 h GLU 128 Ca 0.08 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1sq3 h GLU 128 Cb 0.87 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1sq3 h GLU 128 CO 0.08 0.81 -0.54 1.96 -1.18 0.00 0.00 179.01 180.14 1sq3 h GLN 129 N 1.26 0.31 0.00 1.92 1.08 -0.90 -1.76 115.11 117.01 1sq3 h GLN 129 Ca 0.39 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1sq3 h GLN 129 Cb -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1sq3 h GLN 129 CO -0.11 0.77 0.00 0.28 -0.95 0.00 0.00 178.83 178.81 1sq3 n VAL 130 N -3.93 0.00 0.00 -0.54 0.31 -1.02 -1.50 118.33 111.64 1sq3 n VAL 130 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1sq3 n VAL 130 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1sq3 n VAL 130 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1sq3 n GLU 131 N 0.00 0.00 -0.06 5.55 0.00 -1.26 -3.07 120.64 121.80 1sq3 n GLU 131 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1sq3 n GLU 131 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1sq3 n GLU 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1sq3 h GLU 132 N 0.00 0.06 -0.33 5.31 4.39 -0.80 -0.50 114.58 122.71 1sq3 h GLU 132 Ca 0.00 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1sq3 h GLU 132 Cb 0.00 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1sq3 h GLU 132 CO 0.00 0.04 0.11 0.93 -1.16 0.00 0.00 179.01 178.93 1sq3 h GLU 133 N 0.06 0.25 -0.28 2.33 5.08 -1.36 -2.28 114.58 118.38 1sq3 h GLU 133 Ca 0.12 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 1sq3 h GLU 133 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1sq3 h GLU 133 CO -0.22 0.16 -0.43 0.00 -1.00 0.00 0.00 179.01 177.52 1sq3 h ALA 134 N 1.21 0.72 -0.34 3.43 0.00 -1.38 0.88 119.26 123.77 1sq3 h ALA 134 Ca 0.15 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1sq3 h ALA 134 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sq3 h ALA 134 CO -0.15 0.67 -0.12 0.77 0.00 0.00 0.00 179.25 180.41 1sq3 h SER 135 N 0.57 0.59 -0.05 0.00 0.02 -0.91 -1.67 113.55 112.10 1sq3 h SER 135 Ca 0.04 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1sq3 h SER 135 Cb 0.97 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1sq3 h SER 135 CO 0.09 0.74 -0.32 0.00 -1.14 0.00 0.00 176.83 176.20 1sq3 h ALA 136 N 1.32 0.11 -0.92 3.77 0.00 -1.01 -3.21 119.26 119.32 1sq3 h ALA 136 Ca 0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sq3 h ALA 136 Cb 0.54 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1sq3 h ALA 136 CO 0.03 0.17 0.56 1.25 0.00 0.00 0.00 179.25 181.26 1sq3 h LEU 137 N -0.22 1.11 -1.28 0.00 5.85 -0.75 -1.07 115.31 118.96 1sq3 h LEU 137 Ca -0.03 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1sq3 h LEU 137 Cb 0.99 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1sq3 h LEU 137 CO 0.07 0.85 0.49 0.44 -0.34 0.00 0.00 178.44 179.95 1sq3 h ASP 138 N 1.27 0.84 0.21 1.25 3.32 -1.32 0.30 116.42 122.30 1sq3 h ASP 138 Ca 0.33 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 57.02 1sq3 h ASP 138 Cb -0.06 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.30 1sq3 h ASP 138 CO -0.06 0.61 -1.64 0.40 -1.72 0.00 0.00 179.24 176.83 1sq3 h ILE 139 N 1.00 1.07 -0.70 0.35 2.04 -1.47 0.66 117.51 120.45 1sq3 h ILE 139 Ca 0.27 -2.58 0.13 0.00 1.00 0.00 0.00 64.86 63.69 1sq3 h ILE 139 Cb -0.11 2.87 -0.09 0.00 -0.74 0.00 0.00 36.82 38.75 1sq3 h ILE 139 CO -0.06 0.84 0.22 0.58 0.00 0.00 0.00 178.15 179.73 1sq3 h VAL 140 N 0.11 0.63 -0.55 1.67 2.07 -0.74 -0.47 116.25 118.97 1sq3 h VAL 140 Ca -0.31 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1sq3 h VAL 140 Cb 2.12 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1sq3 h VAL 140 CO 0.21 0.07 -0.03 -0.33 0.02 0.00 0.00 177.57 177.51 1sq3 h GLU 141 N 0.36 0.99 -0.79 1.57 3.07 -0.22 -2.08 114.58 117.48 1sq3 h GLU 141 Ca 0.38 -0.33 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1sq3 h GLU 141 Cb 0.58 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1sq3 h GLU 141 CO -0.42 1.00 0.52 0.87 -1.40 0.00 0.00 179.01 179.59 1sq3 h LYS 142 N 0.87 1.03 0.00 2.33 1.79 -0.12 -2.44 116.57 120.03 1sq3 h LYS 142 Ca 0.15 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1sq3 h LYS 142 Cb 0.58 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1sq3 h LYS 142 CO 0.03 0.68 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.98 1sq3 h LEU 143 N 1.06 0.00 0.03 2.94 3.38 -0.59 -1.85 115.31 120.29 1sq3 h LEU 143 Ca 0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1sq3 h LEU 143 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sq3 h LEU 143 CO -0.06 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.48 1sq3 h ARG 144 N 0.00 -0.04 0.00 1.13 3.08 -0.93 -1.54 114.38 116.08 1sq3 h ARG 144 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sq3 h ARG 144 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1sq3 h ARG 144 CO 0.00 0.64 0.00 -0.11 -1.07 0.00 0.00 179.97 179.43 1sq3 n LEU 145 N -4.73 0.00 -0.29 3.04 7.94 -1.00 -1.05 117.00 120.90 1sq3 n LEU 145 Ca -0.08 0.71 0.20 0.00 -1.11 0.00 0.00 56.01 55.73 1sq3 n LEU 145 Cb 0.34 -0.26 0.38 0.00 0.53 0.00 0.00 43.42 44.41 1sq3 n LEU 145 CO 0.28 -0.26 0.80 -0.38 -1.11 0.00 0.00 177.39 176.72 1sq3 n ILE 146 N -2.08 -0.37 0.00 1.96 5.41 -0.70 -4.81 119.36 118.77 1sq3 n ILE 146 Ca 0.00 1.85 0.00 0.00 1.00 0.00 0.00 62.75 65.60 1sq3 n ILE 146 Cb 0.00 -2.84 0.00 0.00 -0.71 0.00 0.00 39.64 36.09 1sq3 n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sq3 n GLY 147 N -1.34 1.54 0.04 7.39 0.00 -0.22 -1.87 105.19 110.72 1sq3 n GLY 147 Ca 0.26 0.48 0.11 0.00 0.00 0.00 0.00 46.02 46.88 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 0.47 0.11 -2.22 1.61 -0.58 -1.26 -4.88 120.64 113.89 1sq3 n GLU 148 Ca 0.00 -0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 1sq3 n GLU 148 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.95 5.97 0.24 1.62 -1.08 -0.78 -4.88 116.67 114.80 1sq3 s ASP 149 Ca 0.11 0.68 0.05 0.00 -0.52 0.00 0.00 52.55 52.87 1sq3 s ASP 149 Cb 0.17 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.34 1sq3 s ASP 149 CO 0.76 -1.76 1.56 0.11 0.52 0.00 0.00 175.17 176.36 1sq3 h LYS 150 N 12.12 0.19 -0.65 4.34 1.57 -1.89 -2.60 116.57 129.64 1sq3 h LYS 150 Ca -0.29 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1sq3 h LYS 150 Cb 1.13 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1sq3 h LYS 150 CO 1.13 0.75 0.24 0.00 -0.57 0.00 0.00 179.45 181.00 1sq3 h ARG 151 N 0.14 0.97 0.00 3.15 2.47 -1.99 -1.81 114.38 117.30 1sq3 h ARG 151 Ca -0.01 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1sq3 h ARG 151 Cb 1.13 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 1sq3 h ARG 151 CO 0.09 0.81 -0.17 0.00 0.56 0.00 0.00 179.97 181.26 1sq3 h ALA 152 N 1.31 0.90 -0.37 0.04 0.00 -1.91 -2.48 119.26 116.74 1sq3 h ALA 152 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1sq3 h ALA 152 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sq3 h ALA 152 CO -0.02 0.21 -0.28 1.25 0.00 0.00 0.00 179.25 180.42 1sq3 h LEU 153 N 0.00 0.81 -0.35 0.00 5.85 -0.97 -2.49 115.31 118.16 1sq3 h LEU 153 Ca -0.00 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.26 1sq3 h LEU 153 Cb 1.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1sq3 h LEU 153 CO 0.02 1.04 -0.67 -0.07 -0.34 0.00 0.00 178.44 178.42 1sq3 h LEU 154 N 0.67 0.00 -0.11 2.25 3.38 -1.13 -0.15 115.31 120.22 1sq3 h LEU 154 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1sq3 h LEU 154 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1sq3 h LEU 154 CO 0.07 0.67 0.03 0.15 0.09 0.00 0.00 178.44 179.45 1sq3 h PHE 155 N 0.00 0.19 -0.64 1.13 3.57 -1.45 -1.13 116.94 118.62 1sq3 h PHE 155 Ca -0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1sq3 h PHE 155 Cb 1.36 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1sq3 h PHE 155 CO 0.00 0.34 0.18 1.25 -2.23 0.00 0.00 178.31 177.85 1sq3 h LEU 156 N -0.01 0.92 -0.34 0.59 5.85 -1.17 -1.12 115.31 120.02 1sq3 h LEU 156 Ca 0.04 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1sq3 h LEU 156 Cb 0.24 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1sq3 h LEU 156 CO -0.00 0.87 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.99 1sq3 h ASP 157 N 0.94 -0.67 -0.58 1.25 3.58 -0.94 -1.89 116.42 118.12 1sq3 h ASP 157 Ca 0.21 0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.86 1sq3 h ASP 157 Cb 0.30 0.35 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 1sq3 h ASP 157 CO -0.00 -0.24 0.27 0.50 -2.88 0.00 0.00 179.24 176.89 1sq3 h LYS 158 N -0.16 0.49 -0.50 0.28 1.63 -0.21 -1.48 116.57 116.62 1sq3 h LYS 158 Ca 0.17 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1sq3 h LYS 158 Cb 0.42 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.88 1sq3 h LYS 158 CO -0.43 0.33 0.15 0.93 -3.45 0.00 0.00 179.45 176.97 1sq3 h GLU 159 N 0.51 0.30 0.00 1.90 4.39 -0.78 -2.63 114.58 118.27 1sq3 h GLU 159 Ca 0.27 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 1sq3 h GLU 159 Cb 0.23 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1sq3 h GLU 159 CO -0.21 0.20 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.49 1sq3 h LEU 160 N 0.31 0.00 -0.37 1.33 4.07 -0.65 -2.46 115.31 117.54 1sq3 h LEU 160 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1sq3 h LEU 160 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1sq3 h LEU 160 CO -0.28 0.27 0.00 -1.54 -1.08 0.00 0.00 178.44 175.81 1sq3 n SER 161 N -3.28 0.34 -0.02 -0.43 3.41 -0.63 -2.41 113.62 110.60 1sq3 n SER 161 Ca 0.01 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 1sq3 n SER 161 Cb 0.54 -0.66 0.74 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.88 0.08 -4.77 1.04 4.77 -0.92 -4.90 117.00 110.42 1sq3 n LEU 162 Ca 0.03 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.84 1sq3 n LEU 162 Cb 0.20 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1sq3 n LEU 162 CO 0.16 0.02 0.76 -0.60 -1.33 0.00 0.00 177.39 176.39 1sq3 s ARG 163 N -2.52 4.43 0.00 3.23 3.52 -1.01 -5.16 118.95 121.43 1sq3 s ARG 163 Ca 0.30 1.64 0.07 0.00 -0.13 0.00 0.00 55.73 57.61 1sq3 s ARG 163 Cb 0.20 -2.88 0.06 0.00 -1.56 0.00 0.00 34.95 30.77 1sq3 s ARG 163 CO 0.46 0.06 0.73 1.04 -0.81 0.00 0.00 175.30 176.79