#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 1.35 -2.70 -1.33 3.06 -1.26 -4.92 119.36 113.56 1sq3 n ILE 4 Ca 0.00 -0.34 -0.33 0.00 -2.50 0.00 0.00 62.75 59.58 1sq3 n ILE 4 Cb 0.00 -1.56 -0.06 0.00 0.54 0.00 0.00 39.64 38.57 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 0.09 6.77 0.29 9.51 1.04 -1.26 -4.89 113.70 125.24 1sq3 s SER 5 Ca 0.63 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.78 1sq3 s SER 5 Cb -0.60 -2.54 0.69 0.00 0.10 0.00 0.00 66.02 63.66 1sq3 s SER 5 CO 0.54 -0.48 1.62 -0.08 0.98 0.00 0.00 173.24 175.82 1sq3 h GLU 6 N 1.68 0.13 -0.57 4.02 4.57 -2.03 -0.88 114.58 121.49 1sq3 h GLU 6 Ca -0.49 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1sq3 h GLU 6 Cb 1.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1sq3 h GLU 6 CO 0.61 0.09 0.00 1.17 -1.18 0.00 0.00 179.01 179.69 1sq3 n LYS 7 N -5.31 0.25 0.00 1.92 4.81 -1.26 -1.92 118.16 116.64 1sq3 n LYS 7 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1sq3 n LYS 7 Cb 0.68 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.55 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 0.48 0.00 -0.25 3.15 0.31 -0.34 -1.92 118.33 119.77 1sq3 n VAL 9 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1sq3 n VAL 9 Cb 0.07 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.05 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 1.07 -0.32 5.55 4.22 -1.64 0.36 114.58 123.82 1sq3 h GLU 10 Ca 0.00 -0.22 -0.18 0.00 0.08 0.00 0.00 59.36 59.04 1sq3 h GLU 10 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1sq3 h GLU 10 CO 0.00 0.91 -0.51 0.00 -2.18 0.00 0.00 179.01 177.23 1sq3 h ALA 11 N 1.11 0.49 -0.62 2.92 0.00 -1.65 -1.74 119.26 119.77 1sq3 h ALA 11 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sq3 h ALA 11 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1sq3 h ALA 11 CO -0.01 0.68 0.40 -0.07 0.00 0.00 0.00 179.25 180.25 1sq3 h LEU 12 N 0.70 0.72 -1.66 0.00 3.38 -1.72 -1.86 115.31 114.87 1sq3 h LEU 12 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sq3 h LEU 12 Cb 1.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1sq3 h LEU 12 CO 0.12 0.54 -0.06 0.78 0.09 0.00 0.00 178.44 179.90 1sq3 h ASN 13 N 0.84 0.12 0.44 -0.43 2.35 -0.04 0.62 115.58 119.47 1sq3 h ASN 13 Ca 0.22 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.79 1sq3 h ASN 13 Cb -0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1sq3 h ASN 13 CO -0.05 0.21 -0.73 0.03 -1.65 0.00 0.00 177.43 175.25 1sq3 h ARG 14 N 0.13 0.24 -0.30 0.81 2.47 -0.66 -2.01 114.38 115.06 1sq3 h ARG 14 Ca 0.03 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.43 1sq3 h ARG 14 Cb 0.20 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1sq3 h ARG 14 CO 0.01 0.86 -0.30 0.37 0.56 0.00 0.00 179.97 181.47 1sq3 h GLN 15 N 0.16 0.63 -0.66 0.04 5.75 -0.41 0.37 115.11 120.98 1sq3 h GLN 15 Ca -0.02 -0.27 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1sq3 h GLN 15 Cb 1.29 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 1sq3 h GLN 15 CO 0.11 0.85 0.44 0.82 -2.65 0.00 0.00 178.83 178.40 1sq3 h ILE 16 N 0.54 1.16 -0.91 2.39 2.04 -0.66 0.33 117.51 122.39 1sq3 h ILE 16 Ca 0.07 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1sq3 h ILE 16 Cb 0.79 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1sq3 h ILE 16 CO 0.06 0.16 0.61 -1.13 0.00 0.00 0.00 178.15 177.85 1sq3 h ASN 17 N 0.89 1.05 -0.30 1.72 -1.24 -0.62 -1.09 115.58 115.98 1sq3 h ASN 17 Ca 0.25 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 1sq3 h ASN 17 Cb -0.09 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.68 1sq3 h ASN 17 CO -0.06 0.76 0.01 0.00 -1.29 0.00 0.00 177.43 176.85 1sq3 h ALA 18 N 1.34 1.27 -0.26 1.57 0.00 0.43 0.45 119.26 124.05 1sq3 h ALA 18 Ca 0.34 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1sq3 h ALA 18 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1sq3 h ALA 18 CO -0.07 0.49 -0.53 0.93 0.00 0.00 0.00 179.25 180.07 1sq3 h GLU 19 N 0.60 0.82 -0.30 0.00 4.39 0.18 -1.81 114.58 118.47 1sq3 h GLU 19 Ca 0.13 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 1sq3 h GLU 19 Cb 0.37 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1sq3 h GLU 19 CO 0.01 1.16 -0.08 0.82 -1.16 0.00 0.00 179.01 179.77 1sq3 h ILE 20 N 0.58 1.21 -0.36 3.13 2.04 -0.94 -1.28 117.51 121.89 1sq3 h ILE 20 Ca 0.01 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1sq3 h ILE 20 Cb 1.14 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1sq3 h ILE 20 CO 0.12 0.30 0.04 0.22 0.00 0.00 0.00 178.15 178.83 1sq3 h TYR 21 N 0.46 0.65 -0.92 1.37 3.20 -0.83 -1.64 116.97 119.26 1sq3 h TYR 21 Ca 0.09 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1sq3 h TYR 21 Cb 0.42 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1sq3 h TYR 21 CO 0.01 0.68 0.59 0.77 -1.64 0.00 0.00 178.16 178.57 1sq3 h SER 22 N 0.44 0.88 0.03 -2.11 0.02 -1.00 0.24 113.55 112.04 1sq3 h SER 22 Ca 0.11 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1sq3 h SER 22 Cb 0.39 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1sq3 h SER 22 CO 0.01 0.54 -0.01 0.00 -1.14 0.00 0.00 176.83 176.23 1sq3 h ALA 23 N 1.53 -0.03 -0.47 3.77 0.00 -0.65 -1.80 119.26 121.60 1sq3 h ALA 23 Ca 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1sq3 h ALA 23 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sq3 h ALA 23 CO -0.17 -0.50 -0.10 -0.92 0.00 0.00 0.00 179.25 177.57 1sq3 h TYR 24 N -0.08 0.94 -0.41 0.00 3.20 -0.46 0.15 116.97 120.31 1sq3 h TYR 24 Ca -0.00 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.74 1sq3 h TYR 24 Cb 0.07 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1sq3 h TYR 24 CO -0.06 0.90 0.16 1.25 -1.64 0.00 0.00 178.16 178.77 1sq3 h LEU 25 N 0.77 0.19 -0.55 2.82 5.85 -0.39 0.18 115.31 124.18 1sq3 h LEU 25 Ca 0.13 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 1sq3 h LEU 25 Cb 0.60 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1sq3 h LEU 25 CO 0.04 0.14 -0.66 1.88 -0.34 0.00 0.00 178.44 179.51 1sq3 h TYR 26 N 0.33 0.38 -0.75 1.25 0.05 -0.47 -0.92 116.97 116.85 1sq3 h TYR 26 Ca 0.19 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1sq3 h TYR 26 Cb 0.15 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 1sq3 h TYR 26 CO -0.14 0.86 0.43 1.25 -1.05 0.00 0.00 178.16 179.51 1sq3 h LEU 27 N 0.21 0.90 -1.85 3.88 5.85 -0.01 0.42 115.31 124.71 1sq3 h LEU 27 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1sq3 h LEU 27 Cb 1.19 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1sq3 h LEU 27 CO 0.11 0.71 0.00 -0.24 -0.34 0.00 0.00 178.44 178.68 1sq3 n SER 28 N -4.37 0.82 0.00 1.25 2.88 0.58 -2.37 113.62 112.42 1sq3 n SER 28 Ca 0.08 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1sq3 n SER 28 Cb 0.08 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.77 0.00 -0.26 -1.46 0.00 0.14 -1.74 120.51 117.96 1sq3 n ALA 30 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1sq3 n ALA 30 Cb 0.14 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.68 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 1.04 0.43 0.00 0.87 -1.75 -0.75 113.55 113.39 1sq3 h SER 31 Ca 0.00 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1sq3 h SER 31 Cb 0.00 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1sq3 h SER 31 CO 0.00 0.95 -0.21 0.22 -0.53 0.00 0.00 176.83 177.26 1sq3 h TYR 32 N 1.09 -0.53 -0.69 2.24 3.20 -1.63 -1.01 116.97 119.63 1sq3 h TYR 32 Ca 0.24 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1sq3 h TYR 32 Cb 0.26 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1sq3 h TYR 32 CO 0.02 -0.29 0.43 0.74 -1.64 0.00 0.00 178.16 177.43 1sq3 h PHE 33 N -0.65 0.81 -0.54 -3.82 0.04 -1.79 0.22 116.94 111.21 1sq3 h PHE 33 Ca -0.06 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.81 1sq3 h PHE 33 Cb 0.48 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1sq3 h PHE 33 CO -0.03 0.47 0.36 0.22 -0.60 0.00 0.00 178.31 178.73 1sq3 h ASP 34 N 0.85 0.36 1.34 2.17 1.82 -0.99 -1.15 116.42 120.82 1sq3 h ASP 34 Ca 0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1sq3 h ASP 34 Cb 0.02 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 1sq3 h ASP 34 CO -0.11 0.23 -0.11 0.77 -1.61 0.00 0.00 179.24 178.40 1sq3 h SER 35 N 0.40 0.00 -0.48 2.28 4.64 0.43 -2.93 113.55 117.89 1sq3 h SER 35 Ca 0.24 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.43 1sq3 h SER 35 Cb 0.43 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1sq3 h SER 35 CO -0.06 0.11 0.10 2.30 -0.87 0.00 0.00 176.83 178.41 1sq3 n ILE 36 N -3.18 2.62 0.00 0.95 -5.35 -0.51 -4.96 119.36 108.93 1sq3 n ILE 36 Ca 0.02 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.53 1sq3 n ILE 36 Cb 0.45 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 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 -0.50 1.73 3.44 3.28 0.00 -1.00 -4.98 105.19 107.16 1sq3 n GLY 37 Ca 0.32 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 5.21 0.39 0.99 1.43 -0.78 -4.81 118.68 121.11 1sq3 s LEU 38 Ca 0.00 -2.46 0.21 0.00 -1.03 0.00 0.00 54.13 50.84 1sq3 s LEU 38 Cb 0.00 -2.38 0.31 0.00 0.03 0.00 0.00 46.19 44.14 1sq3 s LEU 38 CO 0.00 -0.90 1.58 0.11 0.23 0.00 0.00 176.35 177.37 1sq3 h LYS 39 N 8.12 0.00 -0.07 1.70 6.56 -1.91 -1.57 116.57 129.40 1sq3 h LYS 39 Ca 0.21 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.68 1sq3 h LYS 39 Cb 0.97 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1sq3 h LYS 39 CO 1.13 0.17 -0.41 0.78 -2.06 0.00 0.00 179.45 179.05 1sq3 h GLY 40 N 3.71 0.44 0.76 3.86 0.00 -1.88 -2.21 103.07 107.75 1sq3 h GLY 40 Ca -0.00 -0.64 0.06 0.00 0.00 0.00 0.00 47.33 46.74 1sq3 h GLY 40 CO 0.02 0.57 0.56 0.74 0.00 0.00 0.00 176.54 178.43 1sq3 h PHE 41 N -0.08 1.03 0.48 5.60 -1.00 -1.69 -2.06 116.94 119.23 1sq3 h PHE 41 Ca -0.03 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1sq3 h PHE 41 Cb 1.08 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.29 1sq3 h PHE 41 CO 0.13 0.54 -0.35 0.77 -1.61 0.00 0.00 178.31 177.79 1sq3 h SER 42 N 1.03 -0.91 -0.86 2.17 0.02 -1.27 -2.53 113.55 111.21 1sq3 h SER 42 Ca 0.38 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.53 1sq3 h SER 42 Cb 0.13 0.28 -0.14 0.00 0.14 0.00 0.00 62.40 62.81 1sq3 h SER 42 CO -0.16 -0.53 -0.37 -1.13 -1.14 0.00 0.00 176.83 173.50 1sq3 h ASN 43 N -0.81 -1.34 0.00 3.07 -0.73 -1.28 0.45 115.58 114.93 1sq3 h ASN 43 Ca -0.05 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1sq3 h ASN 43 Cb 0.69 0.70 0.00 0.00 0.27 0.00 0.00 38.32 39.97 1sq3 h ASN 43 CO 0.02 -0.29 0.00 1.87 -0.37 0.00 0.00 177.43 178.65 1sq3 n TRP 44 N -5.46 0.00 0.00 0.67 -0.00 -0.79 -1.05 117.44 110.81 1sq3 n TRP 44 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1sq3 n TRP 44 Cb 0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 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 0.54 0.00 0.04 5.87 5.12 0.15 -0.87 116.66 127.51 1sq3 n ARG 46 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1sq3 n ARG 46 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 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 1.35 -0.02 1.55 2.07 -1.35 -1.72 116.25 118.13 1sq3 h VAL 47 Ca 0.00 -2.23 -0.11 0.00 0.82 0.00 0.00 66.70 65.18 1sq3 h VAL 47 Cb 0.00 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1sq3 h VAL 47 CO 0.00 0.68 -0.50 -0.61 0.02 0.00 0.00 177.57 177.16 1sq3 h GLN 48 N 0.33 0.05 -0.45 1.57 5.75 -1.25 0.18 115.11 121.29 1sq3 h GLN 48 Ca -0.07 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1sq3 h GLN 48 Cb 1.48 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 1sq3 h GLN 48 CO 0.16 0.54 0.11 2.35 -2.65 0.00 0.00 178.83 179.34 1sq3 h TRP 49 N 0.04 0.76 -0.71 3.99 2.91 -1.73 0.49 115.95 121.70 1sq3 h TRP 49 Ca -0.00 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 59.87 1sq3 h TRP 49 Cb 0.89 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 1sq3 h TRP 49 CO 0.00 0.70 0.20 1.96 -1.03 0.00 0.00 178.44 180.27 1sq3 h GLN 50 N 0.60 1.12 -0.54 2.65 4.20 -1.09 -2.00 115.11 120.05 1sq3 h GLN 50 Ca 0.14 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1sq3 h GLN 50 Cb 0.32 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1sq3 h GLN 50 CO 0.00 0.97 -0.09 1.49 -0.67 0.00 0.00 178.83 180.52 1sq3 h GLU 51 N 1.07 1.00 -0.46 1.46 4.81 -0.49 -2.87 114.58 119.09 1sq3 h GLU 51 Ca 0.23 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1sq3 h GLU 51 Cb 0.33 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1sq3 h GLU 51 CO -0.00 1.03 -0.19 0.93 -0.73 0.00 0.00 179.01 180.05 1sq3 h GLU 52 N 0.89 0.94 -1.92 1.92 4.39 -0.62 -0.61 114.58 119.58 1sq3 h GLU 52 Ca 0.14 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1sq3 h GLU 52 Cb 0.65 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1sq3 h GLU 52 CO 0.04 1.06 0.00 1.28 -1.16 0.00 0.00 179.01 180.23 1sq3 n LEU 53 N -4.17 0.00 0.00 1.33 4.32 -0.78 -1.06 117.00 116.64 1sq3 n LEU 53 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sq3 n LEU 53 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1sq3 n LEU 53 CO 0.46 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.04 1sq3 n HIS 55 N 0.97 0.00 0.39 -1.77 8.25 -0.24 -4.67 115.22 118.16 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 1.67 -0.67 -1.41 0.00 -0.23 -4.74 120.51 115.14 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 0.44 -0.78 0.00 0.00 4.81 -1.26 -4.68 118.16 116.69 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 0.13 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.60 0.00 -0.03 5.64 -0.00 -1.26 -1.98 117.46 119.22 1sq3 n PHE 60 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 1sq3 n PHE 60 Cb 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 39.62 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 -0.07 -2.13 3.32 -1.98 -2.23 116.42 114.01 1sq3 h ASP 61 Ca 0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1sq3 h ASP 61 Cb 0.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1sq3 h ASP 61 CO 0.00 0.98 0.04 0.15 -1.72 0.00 0.00 179.24 178.69 1sq3 h PHE 62 N 0.54 0.11 -1.00 4.55 3.57 -1.79 0.31 116.94 123.22 1sq3 h PHE 62 Ca 0.05 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1sq3 h PHE 62 Cb 0.88 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 1sq3 h PHE 62 CO 0.04 0.19 0.66 0.28 -2.23 0.00 0.00 178.31 177.25 1sq3 h VAL 63 N -0.00 1.23 -0.07 1.41 2.07 -1.84 -0.29 116.25 118.75 1sq3 h VAL 63 Ca 0.03 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1sq3 h VAL 63 Cb 0.12 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1sq3 h VAL 63 CO -0.00 0.24 -0.04 -1.28 0.02 0.00 0.00 177.57 176.51 1sq3 h SER 64 N 1.32 0.16 -0.05 0.57 0.87 -1.10 0.11 113.55 115.44 1sq3 h SER 64 Ca 0.38 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1sq3 h SER 64 Cb -0.10 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1sq3 h SER 64 CO -0.10 0.56 0.06 -0.08 -0.53 0.00 0.00 176.83 176.75 1sq3 h GLU 65 N -0.23 0.00 -0.08 2.24 4.81 0.07 0.12 114.58 121.50 1sq3 h GLU 65 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1sq3 h GLU 65 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1sq3 h GLU 65 CO 0.01 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.83 1sq3 n ARG 66 N -3.73 1.35 -0.99 1.92 5.12 -0.16 -4.87 116.66 115.29 1sq3 n ARG 66 Ca -0.02 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.38 1sq3 n ARG 66 Cb 0.15 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 0.94 0.39 3.84 -0.13 0.00 0.03 -4.64 105.19 105.62 1sq3 n GLY 67 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.75 -0.24 -0.02 0.00 0.33 -5.00 107.32 102.14 1sq3 s GLY 68 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1sq3 s GLY 68 CO 0.00 0.33 0.09 -1.60 0.00 0.00 0.00 173.10 171.92 1sq3 s ARG 69 N -4.90 3.79 -0.02 2.90 6.06 -1.26 -4.10 118.95 121.42 1sq3 s ARG 69 Ca 0.57 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 53.09 1sq3 s ARG 69 Cb -0.12 -3.37 -0.04 0.00 0.06 0.00 0.00 34.95 31.48 1sq3 s ARG 69 CO 0.50 -0.08 1.16 0.08 -2.50 0.00 0.00 175.30 174.46 1sq3 s VAL 70 N 1.35 4.30 -0.18 7.11 1.01 -1.26 -4.96 120.40 127.77 1sq3 s VAL 70 Ca 0.06 1.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1sq3 s VAL 70 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1sq3 s VAL 70 CO 0.05 0.05 -0.01 -0.75 0.00 0.00 0.00 175.10 174.44 1sq3 s LYS 71 N 1.73 3.69 -0.06 2.72 2.47 -1.26 -5.11 119.74 123.92 1sq3 s LYS 71 Ca 0.56 -0.50 -0.11 0.00 -1.56 0.00 0.00 55.97 54.36 1sq3 s LYS 71 Cb -0.25 -3.02 -0.05 0.00 -1.46 0.00 0.00 37.83 33.05 1sq3 s LYS 71 CO 0.24 0.15 0.28 -0.51 0.16 0.00 0.00 175.35 175.67 1sq3 s LEU 72 N 0.64 4.43 0.32 5.43 1.43 -1.26 -4.87 118.68 124.81 1sq3 s LEU 72 Ca -0.01 0.72 0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1sq3 s LEU 72 Cb -0.14 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1sq3 s LEU 72 CO 0.02 0.37 0.03 -0.31 0.23 0.00 0.00 176.35 176.69 1sq3 s TYR 73 N -1.06 2.61 0.37 0.29 2.02 -1.26 -5.10 117.35 115.22 1sq3 s TYR 73 Ca 0.19 -0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 56.28 1sq3 s TYR 73 Cb -0.14 -1.43 -0.13 0.00 -0.40 0.00 0.00 41.96 39.86 1sq3 s TYR 73 CO 0.09 0.49 0.81 0.00 -1.57 0.00 0.00 175.55 175.37 1sq3 n ALA 74 N -0.97 -0.74 -2.70 3.71 0.00 -1.26 -4.98 120.51 113.58 1sq3 n ALA 74 Ca -0.04 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 1sq3 n ALA 74 Cb 0.61 -1.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.26 5.35 0.42 0.00 1.01 -1.26 -5.07 120.40 119.59 1sq3 s VAL 75 Ca 0.62 0.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 1sq3 s VAL 75 Cb -0.64 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1sq3 s VAL 75 CO 0.58 0.37 0.98 -1.61 0.00 0.00 0.00 175.10 175.42 1sq3 s GLU 76 N 0.76 4.19 -0.07 2.72 0.41 -1.26 -4.95 118.70 120.50 1sq3 s GLU 76 Ca 0.11 1.26 -0.35 0.00 -0.41 0.00 0.00 54.97 55.58 1sq3 s GLU 76 Cb -0.13 -2.32 -0.12 0.00 -1.78 0.00 0.00 34.13 29.78 1sq3 s GLU 76 CO 0.03 -0.08 1.82 -1.91 -0.49 0.00 0.00 175.26 174.63 1sq3 n GLU 77 N -0.42 2.07 -2.28 1.61 2.13 -1.26 -4.99 120.64 117.50 1sq3 n GLU 77 Ca 0.06 0.76 -0.28 0.00 0.66 0.00 0.00 57.16 58.36 1sq3 n GLU 77 Cb 0.52 -2.58 0.02 0.00 0.27 0.00 0.00 31.44 29.67 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 3.57 3.29 0.90 5.31 0.04 -1.26 -5.06 135.00 141.79 1sq3 s PRO 78 Ca 0.91 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 1sq3 s PRO 78 Cb -0.73 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 31.72 1sq3 s PRO 78 CO 0.51 -0.54 1.14 -1.25 0.04 0.00 0.00 177.00 176.89 1sq3 s PRO 79 N -5.00 1.13 0.00 0.56 0.04 -1.26 -4.98 135.00 125.49 1sq3 s PRO 79 Ca 0.52 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1sq3 s PRO 79 Cb -0.11 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1sq3 s PRO 79 CO 0.48 -2.53 0.35 -1.13 0.04 0.00 0.00 177.00 174.21 1sq3 n SER 80 N -4.16 0.43 -3.86 6.66 3.41 -1.26 -4.88 113.62 109.97 1sq3 n SER 80 Ca 0.11 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.49 1sq3 n SER 80 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.12 0.49 0.03 4.33 0.41 -1.26 -4.73 118.70 117.85 1sq3 s GLU 81 Ca 0.00 -0.35 0.01 0.00 -0.41 0.00 0.00 54.97 54.22 1sq3 s GLU 81 Cb 0.00 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.54 1sq3 s GLU 81 CO 0.00 -0.12 -0.05 -1.58 -0.49 0.00 0.00 175.26 173.03 1sq3 s TRP 82 N -1.31 0.42 0.52 1.61 0.51 -1.26 -5.04 118.94 114.39 1sq3 s TRP 82 Ca -0.14 -0.56 0.25 0.00 -2.12 0.00 0.00 56.10 53.54 1sq3 s TRP 82 Cb -0.07 -0.27 1.56 0.00 -0.81 0.00 0.00 33.47 33.88 1sq3 s TRP 82 CO 0.02 -0.17 2.17 -0.44 -0.51 0.00 0.00 176.95 178.02 1sq3 h ASP 83 N 4.48 0.00 -5.21 2.95 3.32 -2.00 -3.46 116.42 116.49 1sq3 h ASP 83 Ca -0.33 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.00 1sq3 h ASP 83 Cb 1.20 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1sq3 h ASP 83 CO 0.43 0.05 0.78 -0.94 -1.72 0.00 0.00 179.24 177.84 1sq3 s SER 84 N -6.39 -0.10 0.31 6.45 1.04 -1.26 -4.97 113.70 108.77 1sq3 s SER 84 Ca -0.04 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1sq3 s SER 84 Cb 0.15 0.19 0.61 0.00 0.10 0.00 0.00 66.02 67.07 1sq3 s SER 84 CO 0.59 -0.34 1.86 -0.65 0.98 0.00 0.00 173.24 175.69 1sq3 h PRO 85 N 2.00 0.91 -0.52 4.02 0.11 -1.99 -0.22 132.00 136.30 1sq3 h PRO 85 Ca -0.23 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 1sq3 h PRO 85 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1sq3 h PRO 85 CO 0.26 0.60 -0.08 1.25 -0.21 0.00 0.00 178.00 179.82 1sq3 h LEU 86 N 0.93 0.94 -0.73 2.35 5.85 -1.95 -1.20 115.31 121.49 1sq3 h LEU 86 Ca 0.46 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1sq3 h LEU 86 Cb 0.47 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1sq3 h LEU 86 CO -0.22 1.04 0.29 0.00 -0.34 0.00 0.00 178.44 179.21 1sq3 h ALA 87 N 1.04 0.95 -0.26 1.25 0.00 -1.63 -0.88 119.26 119.73 1sq3 h ALA 87 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1sq3 h ALA 87 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sq3 h ALA 87 CO 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 1sq3 h ALA 88 N 1.14 0.37 0.00 0.00 0.00 -0.70 -1.89 119.26 118.18 1sq3 h ALA 88 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sq3 h ALA 88 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sq3 h ALA 88 CO -0.02 0.24 -0.07 0.74 0.00 0.00 0.00 179.25 180.14 1sq3 h PHE 89 N 0.28 0.00 -0.14 0.00 0.04 -1.15 -1.32 116.94 114.65 1sq3 h PHE 89 Ca 0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 1sq3 h PHE 89 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1sq3 h PHE 89 CO 0.06 0.07 -0.49 0.93 -0.60 0.00 0.00 178.31 178.28 1sq3 h GLU 90 N 0.00 0.36 -0.13 1.51 5.08 -0.76 -1.73 114.58 118.91 1sq3 h GLU 90 Ca -0.00 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1sq3 h GLU 90 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1sq3 h GLU 90 CO 0.01 0.78 -0.64 1.25 -1.00 0.00 0.00 179.01 179.40 1sq3 h HIS 91 N 0.29 0.62 -0.04 4.33 2.76 -0.52 -1.74 115.15 120.86 1sq3 h HIS 91 Ca 0.01 -0.25 -0.00 0.00 -2.20 0.00 0.00 60.37 57.94 1sq3 h HIS 91 Cb 0.97 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.82 1sq3 h HIS 91 CO 0.03 0.99 0.02 0.28 -1.30 0.00 0.00 177.93 177.94 1sq3 h VAL 92 N 0.35 1.12 -0.69 5.26 2.07 -1.06 0.39 116.25 123.69 1sq3 h VAL 92 Ca -0.01 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1sq3 h VAL 92 Cb 1.20 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 1sq3 h VAL 92 CO 0.11 0.10 0.38 0.22 0.02 0.00 0.00 177.57 178.40 1sq3 h TYR 93 N -0.09 0.69 -0.11 1.57 3.20 -1.12 0.18 116.97 121.30 1sq3 h TYR 93 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1sq3 h TYR 93 Cb 0.14 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1sq3 h TYR 93 CO -0.03 0.31 0.01 0.93 -1.64 0.00 0.00 178.16 177.74 1sq3 h GLU 94 N 0.68 0.18 -0.77 1.82 3.07 -1.10 -0.78 114.58 117.68 1sq3 h GLU 94 Ca 0.32 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1sq3 h GLU 94 Cb 0.24 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 1sq3 h GLU 94 CO -0.21 0.42 0.47 1.25 -1.40 0.00 0.00 179.01 179.54 1sq3 h HIS 95 N -0.07 0.88 -0.44 4.33 2.76 -0.74 -0.97 115.15 120.90 1sq3 h HIS 95 Ca 0.03 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 1sq3 h HIS 95 Cb 0.33 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1sq3 h HIS 95 CO 0.03 0.47 -0.16 0.93 -1.30 0.00 0.00 177.93 177.90 1sq3 h GLU 96 N 0.90 0.83 -0.83 5.26 4.39 -0.31 0.27 114.58 125.09 1sq3 h GLU 96 Ca 0.32 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1sq3 h GLU 96 Cb 0.10 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 96 CO -0.14 0.93 0.39 0.28 -1.16 0.00 0.00 179.01 179.30 1sq3 h VAL 97 N 0.73 1.26 -0.27 3.13 2.07 -0.36 0.79 116.25 123.59 1sq3 h VAL 97 Ca 0.11 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1sq3 h VAL 97 Cb 0.67 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1sq3 h VAL 97 CO 0.05 0.31 0.12 0.78 0.02 0.00 0.00 177.57 178.85 1sq3 h ASN 98 N 1.18 0.37 -0.62 0.57 2.35 -0.48 -1.64 115.58 117.31 1sq3 h ASN 98 Ca 0.28 -0.15 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1sq3 h ASN 98 Cb 0.13 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1sq3 h ASN 98 CO -0.03 0.43 0.32 0.58 -1.65 0.00 0.00 177.43 177.07 1sq3 h VAL 99 N 0.30 0.93 -0.73 2.81 2.07 0.06 -1.43 116.25 120.25 1sq3 h VAL 99 Ca 0.09 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1sq3 h VAL 99 Cb 0.16 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 1sq3 h VAL 99 CO -0.01 0.11 0.35 0.74 0.02 0.00 0.00 177.57 178.78 1sq3 h THR 100 N 0.59 0.81 -0.77 2.57 2.02 -0.65 0.44 112.91 117.92 1sq3 h THR 100 Ca 0.29 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1sq3 h THR 100 Cb 0.22 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1sq3 h THR 100 CO -0.20 0.11 0.35 0.50 0.37 0.00 0.00 175.52 176.65 1sq3 h LYS 101 N 0.59 1.11 -0.02 6.66 3.64 -0.31 0.88 116.57 129.12 1sq3 h LYS 101 Ca 0.37 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 1sq3 h LYS 101 Cb 0.42 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1sq3 h LYS 101 CO -0.29 0.88 -0.73 -0.09 -2.27 0.00 0.00 179.45 176.94 1sq3 h ARG 102 N 1.09 0.14 -0.90 1.90 1.12 -0.65 -1.73 114.38 115.34 1sq3 h ARG 102 Ca 0.26 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 1sq3 h ARG 102 Cb 0.14 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.09 1sq3 h ARG 102 CO -0.03 0.81 0.52 0.82 -3.11 0.00 0.00 179.97 178.98 1sq3 h ILE 103 N 0.09 1.25 -0.54 1.20 1.08 -0.15 -2.10 117.51 118.34 1sq3 h ILE 103 Ca -0.02 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 63.82 1sq3 h ILE 103 Cb 1.30 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1sq3 h ILE 103 CO 0.11 0.28 0.17 0.45 -0.69 0.00 0.00 178.15 178.46 1sq3 h HIS 104 N 1.25 0.82 -0.16 1.37 3.86 -0.20 -2.31 115.15 119.79 1sq3 h HIS 104 Ca 0.32 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.33 1sq3 h HIS 104 Cb -0.01 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1sq3 h HIS 104 CO 0.01 0.67 -0.51 0.93 0.86 0.00 0.00 177.93 179.89 1sq3 h GLU 105 N 0.78 0.42 -0.43 2.45 5.08 -0.97 -2.46 114.58 119.45 1sq3 h GLU 105 Ca 0.18 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1sq3 h GLU 105 Cb 0.23 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1sq3 h GLU 105 CO -0.01 0.83 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.76 1sq3 h LEU 106 N 0.33 0.68 -0.17 1.33 3.38 -0.97 -3.05 115.31 116.84 1sq3 h LEU 106 Ca 0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1sq3 h LEU 106 Cb 1.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1sq3 h LEU 106 CO 0.09 0.75 -0.06 0.58 0.09 0.00 0.00 178.44 179.89 1sq3 h VAL 107 N 0.67 1.30 0.00 1.22 2.07 -1.22 -0.54 116.25 119.75 1sq3 h VAL 107 Ca 0.13 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1sq3 h VAL 107 Cb 0.42 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1sq3 h VAL 107 CO 0.02 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.31 1sq3 n GLU 108 N -4.64 0.04 -0.33 1.57 -0.58 -0.94 -4.62 120.64 111.13 1sq3 n GLU 108 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1sq3 n GLU 108 Cb 0.29 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.84 0.00 0.00 0.62 0.00 -0.21 -4.64 120.51 117.11 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 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.33 0.00 -0.20 0.00 6.02 -1.26 -1.35 117.38 120.26 1sq3 n GLN 112 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1sq3 n GLN 112 Cb 0.00 0.00 0.26 0.00 1.02 0.00 0.00 30.24 31.52 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 2.39 -2.58 -1.09 1.02 -1.26 -4.92 120.64 114.20 1sq3 n GLU 113 Ca 0.00 -2.11 -0.19 0.00 -0.02 0.00 0.00 57.16 54.84 1sq3 n GLU 113 Cb 0.00 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.29 -2.51 -2.99 3.49 5.02 -0.81 -4.89 118.16 116.76 1sq3 n LYS 114 Ca 0.19 0.83 -0.44 0.00 -2.02 0.00 0.00 58.31 56.88 1sq3 n LYS 114 Cb 0.55 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.06 5.26 0.23 4.39 -0.08 -0.45 -4.85 116.55 119.00 1sq3 n ASP 115 Ca -0.18 -2.99 0.07 0.00 -1.51 0.00 0.00 54.79 50.18 1sq3 n ASP 115 Cb 0.64 -1.55 0.56 0.00 2.34 0.00 0.00 41.12 43.11 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 7.05 0.00 -0.55 -0.67 0.04 -1.90 -1.58 116.94 119.32 1sq3 h PHE 116 Ca 0.30 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.99 1sq3 h PHE 116 Cb 0.87 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1sq3 h PHE 116 CO 1.06 0.16 0.01 0.00 -0.60 0.00 0.00 178.31 178.94 1sq3 h ALA 117 N 1.84 0.97 -0.04 2.45 0.00 -1.97 -0.71 119.26 121.80 1sq3 h ALA 117 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 1sq3 h ALA 117 Cb 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sq3 h ALA 117 CO 0.02 0.63 -0.88 1.15 0.00 0.00 0.00 179.25 180.16 1sq3 h THR 118 N 0.87 1.36 -0.64 0.00 2.02 -1.85 -1.56 112.91 113.10 1sq3 h THR 118 Ca 0.16 -2.27 0.05 0.00 0.77 0.00 0.00 66.41 65.13 1sq3 h THR 118 Cb 0.50 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 69.13 1sq3 h THR 118 CO 0.02 0.69 0.36 0.22 0.37 0.00 0.00 175.52 177.18 1sq3 h TYR 119 N 0.32 0.66 -0.20 3.16 5.03 -1.04 -1.54 116.97 123.37 1sq3 h TYR 119 Ca -0.07 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.07 1sq3 h TYR 119 Cb 1.51 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.59 1sq3 h TYR 119 CO 0.07 0.32 -0.65 -0.91 -1.32 0.00 0.00 178.16 175.67 1sq3 h ASN 120 N 0.67 0.84 -0.53 -2.11 -0.26 -1.04 -2.50 115.58 110.65 1sq3 h ASN 120 Ca 0.29 -0.50 -0.02 0.00 -0.56 0.00 0.00 56.30 55.51 1sq3 h ASN 120 Cb 0.16 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 1sq3 h ASN 120 CO -0.17 1.27 0.26 0.15 -1.06 0.00 0.00 177.43 177.88 1sq3 h PHE 121 N 0.53 0.80 0.00 1.19 3.57 -1.06 -2.76 116.94 119.22 1sq3 h PHE 121 Ca -0.02 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1sq3 h PHE 121 Cb 1.25 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1sq3 h PHE 121 CO 0.07 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 178.03 1sq3 n LEU 122 N -4.35 0.37 0.20 0.59 4.77 -0.60 -2.96 117.00 115.02 1sq3 n LEU 122 Ca 0.05 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.61 1sq3 n LEU 122 Cb 0.14 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.18 1sq3 n LEU 122 CO 0.38 -0.17 0.77 1.56 -1.33 0.00 0.00 177.39 178.60 1sq3 h GLN 123 N 0.00 0.00 -0.64 3.23 1.08 -1.37 -0.98 115.11 116.42 1sq3 h GLN 123 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1sq3 h GLN 123 Cb 0.53 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1sq3 h GLN 123 CO 0.00 0.32 0.43 2.35 -0.95 0.00 0.00 178.83 180.97 1sq3 h TRP 124 N 0.00 0.81 -0.27 2.96 7.01 -1.71 -1.52 115.95 123.23 1sq3 h TRP 124 Ca -0.00 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 1sq3 h TRP 124 Cb 0.56 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1sq3 h TRP 124 CO 0.00 0.51 -0.30 1.88 -2.79 0.00 0.00 178.44 177.74 1sq3 h TYR 125 N 0.87 0.64 -0.17 2.65 -1.99 -1.40 0.15 116.97 117.72 1sq3 h TYR 125 Ca 0.24 -0.15 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1sq3 h TYR 125 Cb -0.10 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 1sq3 h TYR 125 CO -0.03 0.79 0.04 0.28 -0.00 0.00 0.00 178.16 179.25 1sq3 h VAL 126 N 0.48 0.94 -0.43 -2.88 2.07 -0.79 -0.34 116.25 115.30 1sq3 h VAL 126 Ca 0.06 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1sq3 h VAL 126 Cb 0.76 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1sq3 h VAL 126 CO 0.06 0.02 0.12 0.00 0.02 0.00 0.00 177.57 177.79 1sq3 h ALA 127 N 1.11 0.57 -0.43 1.67 0.00 -1.10 -2.97 119.26 118.11 1sq3 h ALA 127 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1sq3 h ALA 127 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1sq3 h ALA 127 CO -0.09 0.23 0.29 1.49 0.00 0.00 0.00 179.25 181.17 1sq3 h GLU 128 N 0.56 0.43 -0.05 0.00 4.57 -0.27 -2.30 114.58 117.52 1sq3 h GLU 128 Ca 0.14 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 58.11 1sq3 h GLU 128 Cb 0.29 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1sq3 h GLU 128 CO -0.00 0.28 -0.76 1.96 -1.18 0.00 0.00 179.01 179.31 1sq3 h GLN 129 N 0.44 0.35 -0.53 1.92 1.08 -0.91 -1.01 115.11 116.45 1sq3 h GLN 129 Ca 0.18 -0.31 0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1sq3 h GLN 129 Cb 0.15 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1sq3 h GLN 129 CO -0.04 0.96 0.17 0.28 -0.95 0.00 0.00 178.83 179.24 1sq3 h VAL 130 N 0.23 0.77 -0.45 -0.54 2.07 -1.32 0.19 116.25 117.20 1sq3 h VAL 130 Ca -0.04 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1sq3 h VAL 130 Cb 1.35 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1sq3 h VAL 130 CO 0.13 0.06 0.03 -0.08 0.02 0.00 0.00 177.57 177.73 1sq3 h GLU 131 N 0.33 0.77 -0.77 1.57 4.22 -1.27 -2.18 114.58 117.26 1sq3 h GLU 131 Ca 0.26 -0.23 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 1sq3 h GLU 131 Cb 0.32 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1sq3 h GLU 131 CO -0.29 0.82 0.35 0.93 -2.18 0.00 0.00 179.01 178.64 1sq3 h GLU 132 N 0.63 1.13 -0.05 1.92 4.39 0.22 -0.20 114.58 122.62 1sq3 h GLU 132 Ca 0.13 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1sq3 h GLU 132 Cb 0.45 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1sq3 h GLU 132 CO 0.02 0.89 -0.00 0.93 -1.16 0.00 0.00 179.01 179.69 1sq3 h GLU 133 N 1.10 0.08 -0.79 2.33 5.08 -0.69 -2.78 114.58 118.91 1sq3 h GLU 133 Ca 0.26 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1sq3 h GLU 133 Cb 0.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1sq3 h GLU 133 CO -0.03 0.38 0.52 0.00 -1.00 0.00 0.00 179.01 178.88 1sq3 h ALA 134 N 0.70 1.51 0.01 3.43 0.00 -0.84 -1.29 119.26 122.77 1sq3 h ALA 134 Ca 0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1sq3 h ALA 134 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sq3 h ALA 134 CO 0.00 0.42 -0.89 0.77 0.00 0.00 0.00 179.25 179.55 1sq3 h SER 135 N 0.99 0.27 -0.31 0.00 0.02 -1.08 -1.40 113.55 112.04 1sq3 h SER 135 Ca 0.31 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1sq3 h SER 135 Cb 0.02 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1sq3 h SER 135 CO -0.09 1.03 -0.32 0.00 -1.14 0.00 0.00 176.83 176.31 1sq3 h ALA 136 N 0.95 0.46 -0.24 3.77 0.00 -1.15 -3.04 119.26 120.01 1sq3 h ALA 136 Ca -0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1sq3 h ALA 136 Cb 1.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1sq3 h ALA 136 CO 0.14 0.50 -0.59 1.25 0.00 0.00 0.00 179.25 180.55 1sq3 h LEU 137 N 0.53 0.87 -0.85 0.00 5.85 -1.11 -1.05 115.31 119.55 1sq3 h LEU 137 Ca 0.05 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1sq3 h LEU 137 Cb 0.90 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1sq3 h LEU 137 CO 0.08 1.26 0.56 -0.78 -0.34 0.00 0.00 178.44 179.22 1sq3 h ASP 138 N 0.58 0.95 -0.24 1.25 3.58 -1.30 0.34 116.42 121.59 1sq3 h ASP 138 Ca 0.00 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 1sq3 h ASP 138 Cb 1.18 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.00 1sq3 h ASP 138 CO 0.12 0.67 -0.50 0.40 -2.88 0.00 0.00 179.24 177.06 1sq3 h ILE 139 N 1.12 1.28 -0.71 2.25 2.04 -1.40 -0.90 117.51 121.20 1sq3 h ILE 139 Ca 0.33 -1.69 0.07 0.00 1.00 0.00 0.00 64.86 64.57 1sq3 h ILE 139 Cb -0.07 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1sq3 h ILE 139 CO -0.09 0.55 0.38 0.58 0.00 0.00 0.00 178.15 179.57 1sq3 h VAL 140 N 0.64 0.93 0.00 1.67 2.07 -0.17 0.32 116.25 121.70 1sq3 h VAL 140 Ca 0.03 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1sq3 h VAL 140 Cb 1.09 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1sq3 h VAL 140 CO 0.11 0.12 -0.46 -0.33 0.02 0.00 0.00 177.57 177.04 1sq3 h GLU 141 N 0.68 0.00 -0.01 1.57 5.08 -0.03 -1.27 114.58 120.60 1sq3 h GLU 141 Ca 0.33 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 1sq3 h GLU 141 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sq3 h GLU 141 CO -0.22 0.46 -0.94 0.87 -1.00 0.00 0.00 179.01 178.18 1sq3 h LYS 142 N 0.00 0.49 0.00 2.33 1.57 -0.70 -3.00 116.57 117.26 1sq3 h LYS 142 Ca -0.00 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1sq3 h LYS 142 Cb 0.84 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1sq3 h LYS 142 CO 0.06 1.15 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.66 1sq3 h LEU 143 N 0.28 0.00 -0.07 2.94 3.38 -0.53 -1.69 115.31 119.63 1sq3 h LEU 143 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1sq3 h LEU 143 Cb 1.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1sq3 h LEU 143 CO 0.17 0.36 -0.06 0.03 0.09 0.00 0.00 178.44 179.03 1sq3 h ARG 144 N 0.00 0.17 -0.62 1.13 3.08 -1.26 -2.42 114.38 114.46 1sq3 h ARG 144 Ca -0.00 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1sq3 h ARG 144 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1sq3 h ARG 144 CO 0.05 0.60 0.41 1.25 -1.07 0.00 0.00 179.97 181.20 1sq3 h LEU 145 N -0.25 0.67 -0.23 3.04 5.85 -1.50 -3.13 115.31 119.77 1sq3 h LEU 145 Ca 0.01 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1sq3 h LEU 145 Cb 0.56 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sq3 h LEU 145 CO 0.02 0.48 -0.54 0.40 -0.34 0.00 0.00 178.44 178.45 1sq3 h ILE 146 N 0.79 1.30 0.00 4.05 2.04 -1.21 -3.49 117.51 120.99 1sq3 h ILE 146 Ca 0.24 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1sq3 h ILE 146 Cb -0.01 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1sq3 h ILE 146 CO -0.06 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.26 1sq3 n GLY 147 N 0.47 3.44 1.20 5.37 0.00 -0.92 -2.44 105.19 112.31 1sq3 n GLY 147 Ca -0.06 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 14.00 2.55 -1.73 1.61 -0.58 -1.26 -4.89 120.64 130.33 1sq3 n GLU 148 Ca 0.00 -2.35 -0.43 0.00 -0.42 0.00 0.00 57.16 53.96 1sq3 n GLU 148 Cb 0.00 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 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 -1.41 5.84 0.06 1.62 -1.08 -1.02 -4.88 116.67 115.80 1sq3 s ASP 149 Ca 0.41 1.96 0.08 0.00 -0.52 0.00 0.00 52.55 54.47 1sq3 s ASP 149 Cb 0.23 -2.52 -0.22 0.00 -1.46 0.00 0.00 42.92 38.95 1sq3 s ASP 149 CO 0.32 -1.64 1.05 0.11 0.52 0.00 0.00 175.17 175.53 1sq3 h LYS 150 N 13.26 0.02 -0.28 4.34 1.57 -1.90 -2.10 116.57 131.49 1sq3 h LYS 150 Ca -0.41 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1sq3 h LYS 150 Cb 1.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1sq3 h LYS 150 CO 0.97 0.84 0.08 -0.09 -0.57 0.00 0.00 179.45 180.68 1sq3 h ARG 151 N 0.01 0.44 0.00 3.15 2.43 -1.99 -2.39 114.38 116.01 1sq3 h ARG 151 Ca -0.12 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 1sq3 h ARG 151 Cb 1.87 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 1sq3 h ARG 151 CO 0.12 0.51 -0.26 0.00 -1.51 0.00 0.00 179.97 178.82 1sq3 h ALA 152 N 0.91 1.43 -0.20 2.80 0.00 -1.92 -1.12 119.26 121.15 1sq3 h ALA 152 Ca 0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1sq3 h ALA 152 Cb 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sq3 h ALA 152 CO -0.00 0.33 -0.30 1.25 0.00 0.00 0.00 179.25 180.53 1sq3 h LEU 153 N 0.00 0.61 -1.27 0.00 5.85 -1.13 -2.61 115.31 116.75 1sq3 h LEU 153 Ca -0.00 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 1sq3 h LEU 153 Cb 0.51 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1sq3 h LEU 153 CO 0.03 1.01 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.71 1sq3 h LEU 154 N 0.22 0.00 -0.63 2.25 3.38 -0.92 0.28 115.31 119.90 1sq3 h LEU 154 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1sq3 h LEU 154 Cb 0.87 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1sq3 h LEU 154 CO 0.07 0.36 -0.05 0.15 0.09 0.00 0.00 178.44 179.06 1sq3 h PHE 155 N 0.00 1.13 0.12 1.13 3.04 -1.19 0.73 116.94 121.91 1sq3 h PHE 155 Ca -0.00 -0.21 -0.28 0.00 3.98 0.00 0.00 57.97 61.45 1sq3 h PHE 155 Cb 0.64 -0.29 0.02 0.00 2.56 0.00 0.00 35.95 38.88 1sq3 h PHE 155 CO 0.00 1.02 -1.22 1.25 -2.02 0.00 0.00 178.31 177.34 1sq3 h LEU 156 N 0.93 0.68 -0.79 0.59 5.85 -0.99 -1.72 115.31 119.87 1sq3 h LEU 156 Ca 0.16 -0.65 0.17 0.00 0.84 0.00 0.00 57.88 58.39 1sq3 h LEU 156 Cb 0.60 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 1sq3 h LEU 156 CO 0.04 1.48 0.30 -0.78 -0.34 0.00 0.00 178.44 179.14 1sq3 h ASP 157 N 0.19 0.25 -0.30 1.25 3.58 -0.34 -0.45 116.42 120.61 1sq3 h ASP 157 Ca -0.16 0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1sq3 h ASP 157 Cb 1.90 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 43.06 1sq3 h ASP 157 CO 0.22 0.06 -0.22 0.50 -2.88 0.00 0.00 179.24 176.92 1sq3 h LYS 158 N 0.41 0.67 -0.87 0.28 3.64 -0.68 -1.48 116.57 118.54 1sq3 h LYS 158 Ca 0.45 -0.33 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1sq3 h LYS 158 Cb 0.75 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1sq3 h LYS 158 CO -0.46 0.93 0.57 1.49 -2.27 0.00 0.00 179.45 179.71 1sq3 h GLU 159 N 0.42 0.85 0.00 1.90 4.81 -0.83 -2.74 114.58 118.99 1sq3 h GLU 159 Ca 0.06 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1sq3 h GLU 159 Cb 0.77 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1sq3 h GLU 159 CO 0.06 0.56 -0.69 -0.07 -0.73 0.00 0.00 179.01 178.15 1sq3 h LEU 160 N 0.88 0.00 -1.49 1.64 4.07 -0.56 -2.46 115.31 117.39 1sq3 h LEU 160 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1sq3 h LEU 160 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1sq3 h LEU 160 CO -0.16 0.69 0.00 0.77 -1.08 0.00 0.00 178.44 178.65 1sq3 h SER 161 N 0.00 0.00 1.14 -0.43 4.64 -0.97 -2.56 113.55 115.37 1sq3 h SER 161 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1sq3 h SER 161 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1sq3 h SER 161 CO 0.09 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.98 1sq3 h LEU 162 N 0.00 0.00 -9.87 5.97 3.38 -1.44 -3.46 115.31 109.89 1sq3 h LEU 162 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1sq3 h LEU 162 Cb 0.34 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.16 1sq3 h LEU 162 CO 0.00 0.00 0.64 -0.60 0.09 0.00 0.00 178.44 178.57 1sq3 s ARG 163 N -3.25 4.36 0.00 1.13 3.52 -0.96 -5.17 118.95 118.58 1sq3 s ARG 163 Ca 0.07 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 1sq3 s ARG 163 Cb 0.10 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1sq3 s ARG 163 CO 0.51 -0.19 0.48 1.04 -0.81 0.00 0.00 175.30 176.33