#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 0.55 -2.04 -1.33 3.06 -1.26 -4.97 119.36 113.37 1sq3 n ILE 4 Ca 0.00 -0.14 -0.27 0.00 -2.50 0.00 0.00 62.75 59.84 1sq3 n ILE 4 Cb 0.00 -1.63 0.08 0.00 0.54 0.00 0.00 39.64 38.63 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 0.62 4.61 0.07 9.51 1.04 -1.26 -4.91 113.70 123.39 1sq3 s SER 5 Ca 0.72 0.61 -0.18 0.00 0.48 0.00 0.00 55.95 57.58 1sq3 s SER 5 Cb -0.62 -1.17 -0.11 0.00 0.10 0.00 0.00 66.02 64.22 1sq3 s SER 5 CO 0.44 -1.78 1.39 -0.33 0.98 0.00 0.00 173.24 173.93 1sq3 h GLU 6 N -0.86 0.53 0.00 4.02 5.08 -2.06 -1.80 114.58 119.49 1sq3 h GLU 6 Ca -0.45 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1sq3 h GLU 6 Cb 1.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1sq3 h GLU 6 CO 0.63 0.85 0.00 1.17 -1.00 0.00 0.00 179.01 180.66 1sq3 n LYS 7 N -4.42 0.00 0.00 2.33 4.81 -1.26 -1.57 118.16 118.05 1sq3 n LYS 7 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1sq3 n LYS 7 Cb 0.41 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.56 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 -0.04 0.00 0.01 3.15 0.31 -0.68 -1.80 118.33 119.28 1sq3 n VAL 9 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1sq3 n VAL 9 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.71 -0.69 5.55 4.57 -1.57 -0.59 114.58 122.56 1sq3 h GLU 10 Ca 0.00 -0.67 -0.01 0.00 -1.18 0.00 0.00 59.36 57.50 1sq3 h GLU 10 Cb 0.00 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1sq3 h GLU 10 CO 0.00 1.27 0.40 0.00 -1.18 0.00 0.00 179.01 179.49 1sq3 h ALA 11 N 0.46 1.41 -0.31 2.92 0.00 -1.61 0.43 119.26 122.56 1sq3 h ALA 11 Ca -0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1sq3 h ALA 11 Cb 1.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1sq3 h ALA 11 CO 0.17 0.50 -0.51 -0.07 0.00 0.00 0.00 179.25 179.34 1sq3 h LEU 12 N 0.95 0.99 -1.22 0.00 3.38 -1.81 -1.77 115.31 115.82 1sq3 h LEU 12 Ca 0.25 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1sq3 h LEU 12 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1sq3 h LEU 12 CO -0.04 1.32 -0.06 0.78 0.09 0.00 0.00 178.44 180.52 1sq3 h ASN 13 N 0.69 0.44 -0.15 -0.43 2.35 -0.58 0.46 115.58 118.36 1sq3 h ASN 13 Ca 0.02 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.54 1sq3 h ASN 13 Cb 1.12 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1sq3 h ASN 13 CO 0.12 0.55 -0.38 0.03 -1.65 0.00 0.00 177.43 176.10 1sq3 h ARG 14 N 0.44 0.67 -0.28 0.81 2.47 -0.76 -1.74 114.38 116.00 1sq3 h ARG 14 Ca 0.09 -0.34 -0.16 0.00 -1.26 0.00 0.00 59.98 58.31 1sq3 h ARG 14 Cb 0.38 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1sq3 h ARG 14 CO 0.02 0.94 -0.48 0.37 0.56 0.00 0.00 179.97 181.38 1sq3 h GLN 15 N 0.56 0.75 -0.67 0.04 5.75 -0.85 0.23 115.11 120.92 1sq3 h GLN 15 Ca 0.05 -0.44 0.12 0.00 -0.15 0.00 0.00 58.65 58.23 1sq3 h GLN 15 Cb 0.90 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.40 1sq3 h GLN 15 CO 0.08 1.07 0.21 0.82 -2.65 0.00 0.00 178.83 178.36 1sq3 h ILE 16 N 0.60 0.66 -0.75 2.39 2.04 -0.65 0.35 117.51 122.14 1sq3 h ILE 16 Ca 0.03 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1sq3 h ILE 16 Cb 1.05 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1sq3 h ILE 16 CO 0.10 0.07 0.31 -1.13 0.00 0.00 0.00 178.15 177.50 1sq3 h ASN 17 N 0.36 1.03 -0.36 1.72 -1.24 -0.59 -1.28 115.58 115.22 1sq3 h ASN 17 Ca 0.36 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 1sq3 h ASN 17 Cb 0.53 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1sq3 h ASN 17 CO -0.39 0.92 0.04 0.00 -1.29 0.00 0.00 177.43 176.70 1sq3 h ALA 18 N 1.16 1.23 -0.12 1.57 0.00 0.13 0.30 119.26 123.52 1sq3 h ALA 18 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sq3 h ALA 18 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sq3 h ALA 18 CO -0.02 0.52 -0.03 0.93 0.00 0.00 0.00 179.25 180.65 1sq3 h GLU 19 N 0.67 0.24 -0.64 0.00 4.39 -0.03 0.53 114.58 119.73 1sq3 h GLU 19 Ca 0.14 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1sq3 h GLU 19 Cb 0.37 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1sq3 h GLU 19 CO 0.01 0.53 0.36 0.82 -1.16 0.00 0.00 179.01 179.57 1sq3 h ILE 20 N -0.08 1.19 -0.37 3.13 2.04 -0.93 -1.22 117.51 121.28 1sq3 h ILE 20 Ca 0.03 -0.47 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 1sq3 h ILE 20 Cb 0.44 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1sq3 h ILE 20 CO 0.01 0.21 -0.36 0.22 0.00 0.00 0.00 178.15 178.23 1sq3 h TYR 21 N 0.89 1.03 -0.60 1.37 3.20 -0.70 -1.19 116.97 120.98 1sq3 h TYR 21 Ca 0.23 -0.30 0.08 0.00 3.14 0.00 0.00 58.73 61.88 1sq3 h TYR 21 Cb 0.01 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.00 1sq3 h TYR 21 CO 0.01 1.10 0.27 0.77 -1.64 0.00 0.00 178.16 178.66 1sq3 h SER 22 N 0.72 0.33 -0.40 -2.11 0.02 -0.22 0.23 113.55 112.12 1sq3 h SER 22 Ca 0.07 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1sq3 h SER 22 Cb 0.93 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 1sq3 h SER 22 CO 0.09 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 1sq3 h ALA 23 N 1.37 0.37 -0.33 3.77 0.00 -0.78 -2.04 119.26 121.63 1sq3 h ALA 23 Ca 0.29 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1sq3 h ALA 23 Cb 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1sq3 h ALA 23 CO -0.24 -0.39 -0.18 -0.92 0.00 0.00 0.00 179.25 177.52 1sq3 h TYR 24 N 0.11 0.65 -0.72 0.00 3.20 0.18 -0.22 116.97 120.17 1sq3 h TYR 24 Ca 0.20 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1sq3 h TYR 24 Cb 0.28 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1sq3 h TYR 24 CO -0.27 0.73 0.19 1.25 -1.64 0.00 0.00 178.16 178.42 1sq3 h LEU 25 N 0.53 1.08 -0.38 2.82 5.85 -0.34 -0.54 115.31 124.33 1sq3 h LEU 25 Ca 0.09 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 1sq3 h LEU 25 Cb 0.61 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1sq3 h LEU 25 CO 0.04 1.03 -0.79 1.88 -0.34 0.00 0.00 178.44 180.26 1sq3 h TYR 26 N 1.09 0.00 -0.32 1.25 0.05 -0.72 -1.95 116.97 116.36 1sq3 h TYR 26 Ca 0.23 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.91 1sq3 h TYR 26 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1sq3 h TYR 26 CO 0.03 0.79 -0.20 1.25 -1.05 0.00 0.00 178.16 178.97 1sq3 h LEU 27 N 0.00 0.61 -2.00 3.88 5.85 -0.77 0.24 115.31 123.13 1sq3 h LEU 27 Ca -0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1sq3 h LEU 27 Cb 1.42 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1sq3 h LEU 27 CO 0.10 0.82 0.00 -0.24 -0.34 0.00 0.00 178.44 178.78 1sq3 n SER 28 N -4.13 0.89 0.00 1.25 2.88 -0.24 -2.54 113.62 111.73 1sq3 n SER 28 Ca 0.00 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1sq3 n SER 28 Cb 0.40 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.85 0.00 -0.05 -1.46 0.00 0.07 -1.43 120.51 118.49 1sq3 n ALA 30 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sq3 n ALA 30 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 0.07 -0.42 0.00 0.87 -1.78 -0.76 113.55 111.52 1sq3 h SER 31 Ca 0.00 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1sq3 h SER 31 Cb 0.00 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1sq3 h SER 31 CO 0.00 0.07 -0.02 0.22 -0.53 0.00 0.00 176.83 176.57 1sq3 h TYR 32 N 0.17 -0.06 -0.23 2.24 3.20 -1.50 0.82 116.97 121.61 1sq3 h TYR 32 Ca 0.10 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1sq3 h TYR 32 Cb 0.08 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1sq3 h TYR 32 CO -0.13 -0.11 -0.24 0.74 -1.64 0.00 0.00 178.16 176.78 1sq3 h PHE 33 N 0.08 0.46 -0.82 -3.82 0.04 -1.75 -0.74 116.94 110.39 1sq3 h PHE 33 Ca 0.21 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.91 1sq3 h PHE 33 Cb 0.30 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 1sq3 h PHE 33 CO -0.30 0.63 0.53 -0.44 -0.60 0.00 0.00 178.31 178.14 1sq3 h ASP 34 N 0.37 0.90 0.22 2.17 3.32 -0.64 -0.04 116.42 122.73 1sq3 h ASP 34 Ca 0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1sq3 h ASP 34 Cb 0.63 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sq3 h ASP 34 CO 0.04 0.64 -0.03 0.77 -1.72 0.00 0.00 179.24 178.94 1sq3 h SER 35 N 1.07 0.00 -0.12 6.45 4.64 0.68 -2.43 113.55 123.84 1sq3 h SER 35 Ca 0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1sq3 h SER 35 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1sq3 h SER 35 CO -0.09 0.03 -0.00 2.30 -0.87 0.00 0.00 176.83 178.20 1sq3 n ILE 36 N -3.40 2.08 -1.00 0.95 -5.35 -1.00 -4.98 119.36 106.65 1sq3 n ILE 36 Ca -0.02 -2.10 -0.00 0.00 -0.27 0.00 0.00 62.75 60.35 1sq3 n ILE 36 Cb 0.15 -0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 -1.02 0.44 3.23 3.28 0.00 -0.92 -4.98 105.19 105.22 1sq3 n GLY 37 Ca 0.19 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.04 5.99 0.42 0.99 1.43 -0.06 -4.84 118.68 122.57 1sq3 s LEU 38 Ca 0.00 -3.57 0.21 0.00 -1.03 0.00 0.00 54.13 49.74 1sq3 s LEU 38 Cb 0.00 -2.07 0.89 0.00 0.03 0.00 0.00 46.19 45.04 1sq3 s LEU 38 CO 0.00 -0.26 1.83 0.11 0.23 0.00 0.00 176.35 178.26 1sq3 h LYS 39 N 6.47 0.00 -0.05 1.70 1.79 -1.92 -1.77 116.57 122.78 1sq3 h LYS 39 Ca 0.16 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.43 1sq3 h LYS 39 Cb 0.86 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1sq3 h LYS 39 CO 0.92 0.29 -0.74 0.78 -1.08 0.00 0.00 179.45 179.62 1sq3 h GLY 40 N 1.71 0.66 0.79 3.86 0.00 -1.89 -0.48 103.07 107.72 1sq3 h GLY 40 Ca -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 47.33 46.31 1sq3 h GLY 40 CO 0.04 0.93 0.31 0.74 0.00 0.00 0.00 176.54 178.56 1sq3 h PHE 41 N 0.21 0.58 -0.58 5.60 -1.00 -1.63 -1.93 116.94 118.19 1sq3 h PHE 41 Ca -0.08 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.81 1sq3 h PHE 41 Cb 1.40 -0.18 -0.07 0.00 3.61 0.00 0.00 35.95 40.71 1sq3 h PHE 41 CO 0.12 0.31 0.20 1.03 -1.61 0.00 0.00 178.31 178.36 1sq3 h SER 42 N 0.61 0.19 -0.73 2.17 0.87 -1.24 -2.00 113.55 113.42 1sq3 h SER 42 Ca 0.23 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1sq3 h SER 42 Cb 0.09 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1sq3 h SER 42 CO -0.13 0.12 0.47 -1.13 -0.53 0.00 0.00 176.83 175.63 1sq3 h ASN 43 N 0.38 0.85 0.00 6.23 -0.73 -0.59 -1.56 115.58 120.16 1sq3 h ASN 43 Ca 0.29 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1sq3 h ASN 43 Cb 0.36 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1sq3 h ASN 43 CO -0.30 0.63 0.00 1.87 -0.37 0.00 0.00 177.43 179.26 1sq3 n TRP 44 N -4.56 0.00 0.00 0.67 -0.00 -0.75 -1.50 117.44 111.29 1sq3 n TRP 44 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1sq3 n TRP 44 Cb 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 0.62 0.00 -0.24 5.87 5.12 -0.59 -1.00 116.66 126.45 1sq3 n ARG 46 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1sq3 n ARG 46 Cb 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.41 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 1.25 -0.03 1.55 2.07 -1.54 -2.24 116.25 117.32 1sq3 h VAL 47 Ca 0.00 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 1sq3 h VAL 47 Cb 0.00 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1sq3 h VAL 47 CO 0.00 0.32 -0.57 -0.61 0.02 0.00 0.00 177.57 176.74 1sq3 h GLN 48 N 1.05 0.08 -0.52 1.57 5.75 -1.33 -0.51 115.11 121.20 1sq3 h GLN 48 Ca 0.24 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1sq3 h GLN 48 Cb 0.22 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1sq3 h GLN 48 CO -0.02 0.62 0.17 2.35 -2.65 0.00 0.00 178.83 179.30 1sq3 h TRP 49 N 0.06 0.83 -0.50 3.99 2.91 -1.72 0.53 115.95 122.05 1sq3 h TRP 49 Ca -0.00 -0.08 -0.12 0.00 1.13 0.00 0.00 58.89 59.81 1sq3 h TRP 49 Cb 1.02 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1sq3 h TRP 49 CO 0.01 0.71 -0.17 1.96 -1.03 0.00 0.00 178.44 179.92 1sq3 h GLN 50 N 0.71 0.99 -0.53 2.65 4.20 -0.81 -2.04 115.11 120.28 1sq3 h GLN 50 Ca 0.17 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 1sq3 h GLN 50 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1sq3 h GLN 50 CO -0.01 1.07 0.23 1.49 -0.67 0.00 0.00 178.83 180.95 1sq3 h GLU 51 N 0.87 0.78 -0.55 1.46 4.81 -0.78 -2.38 114.58 118.79 1sq3 h GLU 51 Ca 0.12 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1sq3 h GLU 51 Cb 0.74 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1sq3 h GLU 51 CO 0.06 0.66 0.02 0.93 -0.73 0.00 0.00 179.01 179.95 1sq3 h GLU 52 N 0.71 0.96 -1.34 1.92 4.39 -0.69 -1.28 114.58 119.26 1sq3 h GLU 52 Ca 0.18 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1sq3 h GLU 52 Cb 0.16 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1sq3 h GLU 52 CO -0.02 0.96 0.00 1.28 -1.16 0.00 0.00 179.01 180.07 1sq3 n LEU 53 N -4.27 0.00 0.00 1.33 4.32 -0.79 -1.64 117.00 115.95 1sq3 n LEU 53 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1sq3 n LEU 53 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1sq3 n LEU 53 CO 0.43 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.01 1sq3 n HIS 55 N 0.75 0.00 0.10 -1.77 8.25 -0.48 -4.72 115.22 117.35 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 1.34 -0.54 -1.41 0.00 -0.65 -4.73 120.51 114.52 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 -0.66 0.00 0.00 4.81 -1.26 -4.65 118.16 117.05 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 0.04 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.69 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 -0.46 0.00 -0.07 5.64 -0.00 -1.26 -2.22 117.46 119.09 1sq3 n PHE 60 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 1sq3 n PHE 60 Cb 0.04 0.00 0.44 0.00 -0.00 0.00 0.00 39.48 39.96 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 0.47 -0.09 -2.13 3.32 -1.98 -2.87 116.42 113.13 1sq3 h ASP 61 Ca 0.00 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1sq3 h ASP 61 Cb 0.00 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.46 1sq3 h ASP 61 CO 0.00 0.31 -0.80 0.15 -1.72 0.00 0.00 179.24 177.18 1sq3 h PHE 62 N 0.54 0.99 -0.60 4.55 3.57 -1.84 0.33 116.94 124.49 1sq3 h PHE 62 Ca 0.23 -0.47 0.11 0.00 3.53 0.00 0.00 57.97 61.37 1sq3 h PHE 62 Cb 0.24 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 1sq3 h PHE 62 CO -0.00 1.30 0.13 0.28 -2.23 0.00 0.00 178.31 177.79 1sq3 h VAL 63 N 0.40 0.65 0.00 1.41 2.07 -1.79 -0.75 116.25 118.24 1sq3 h VAL 63 Ca -0.07 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1sq3 h VAL 63 Cb 1.45 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1sq3 h VAL 63 CO 0.16 0.05 -0.60 0.77 0.02 0.00 0.00 177.57 177.97 1sq3 h SER 64 N 0.27 0.00 -0.22 0.57 4.64 -1.36 -0.82 113.55 116.63 1sq3 h SER 64 Ca 0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 1sq3 h SER 64 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1sq3 h SER 64 CO -0.39 0.60 0.03 -0.08 -0.87 0.00 0.00 176.83 176.11 1sq3 h GLU 65 N 0.00 0.47 0.00 4.77 4.57 -0.11 0.36 114.58 124.64 1sq3 h GLU 65 Ca -0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1sq3 h GLU 65 Cb 1.25 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1sq3 h GLU 65 CO 0.08 0.48 0.00 0.54 -1.18 0.00 0.00 179.01 178.93 1sq3 n ARG 66 N -4.32 0.03 0.00 1.92 5.12 -0.37 -4.87 116.66 114.17 1sq3 n ARG 66 Ca 0.01 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1sq3 n ARG 66 Cb 0.21 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.99 0.56 3.94 -0.13 0.00 0.12 -4.68 105.19 105.99 1sq3 n GLY 67 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.94 1.78 -0.08 -0.02 0.00 -0.32 -4.97 107.32 102.76 1sq3 s GLY 68 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1sq3 s GLY 68 CO 0.00 -0.57 -0.12 -1.60 0.00 0.00 0.00 173.10 170.81 1sq3 s ARG 69 N -5.77 1.78 -0.21 2.90 6.06 -1.26 -4.05 118.95 118.40 1sq3 s ARG 69 Ca 0.73 -0.42 -0.28 0.00 -2.50 0.00 0.00 55.73 53.26 1sq3 s ARG 69 Cb -0.04 -1.53 0.00 0.00 0.06 0.00 0.00 34.95 33.44 1sq3 s ARG 69 CO 0.52 -0.04 0.98 0.08 -2.50 0.00 0.00 175.30 174.34 1sq3 s VAL 70 N 0.89 4.74 -0.20 7.11 1.01 -1.26 -4.97 120.40 127.72 1sq3 s VAL 70 Ca -0.10 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1sq3 s VAL 70 Cb -0.15 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1sq3 s VAL 70 CO 0.01 -0.12 0.36 -0.75 0.00 0.00 0.00 175.10 174.60 1sq3 s LYS 71 N 2.89 4.17 -0.00 2.72 2.47 -1.26 -5.09 119.74 125.64 1sq3 s LYS 71 Ca 0.43 0.14 -0.24 0.00 -1.56 0.00 0.00 55.97 54.74 1sq3 s LYS 71 Cb -0.16 -3.52 -0.05 0.00 -1.46 0.00 0.00 37.83 32.64 1sq3 s LYS 71 CO 0.08 0.00 0.74 -0.51 0.16 0.00 0.00 175.35 175.82 1sq3 s LEU 72 N 1.19 4.39 0.32 5.43 1.43 -1.26 -4.88 118.68 125.30 1sq3 s LEU 72 Ca 0.18 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1sq3 s LEU 72 Cb -0.14 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1sq3 s LEU 72 CO 0.07 -0.04 0.25 -0.31 0.23 0.00 0.00 176.35 176.55 1sq3 s TYR 73 N 0.31 2.92 0.56 0.29 2.02 -1.26 -5.09 117.35 117.10 1sq3 s TYR 73 Ca 0.38 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 1sq3 s TYR 73 Cb -0.19 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.60 1sq3 s TYR 73 CO 0.21 0.28 0.49 0.00 -1.57 0.00 0.00 175.55 174.96 1sq3 n ALA 74 N -1.30 -1.26 -3.11 3.71 0.00 -1.26 -4.99 120.51 112.31 1sq3 n ALA 74 Ca -0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1sq3 n ALA 74 Cb 0.59 -1.80 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 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 4.14 0.31 0.00 1.01 -1.26 -5.06 120.40 117.82 1sq3 s VAL 75 Ca 0.68 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1sq3 s VAL 75 Cb -0.45 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1sq3 s VAL 75 CO 0.55 0.15 1.38 -1.61 0.00 0.00 0.00 175.10 175.57 1sq3 s GLU 76 N 1.55 4.28 -0.07 2.72 0.41 -1.26 -4.93 118.70 121.40 1sq3 s GLU 76 Ca 0.04 2.31 -0.37 0.00 -0.41 0.00 0.00 54.97 56.54 1sq3 s GLU 76 Cb -0.16 -3.06 -0.15 0.00 -1.78 0.00 0.00 34.13 28.97 1sq3 s GLU 76 CO 0.03 -0.32 1.65 -1.91 -0.49 0.00 0.00 175.26 174.22 1sq3 n GLU 77 N 1.22 1.57 -2.43 1.61 2.13 -1.26 -4.96 120.64 118.52 1sq3 n GLU 77 Ca 0.02 0.57 -0.27 0.00 0.66 0.00 0.00 57.16 58.14 1sq3 n GLU 77 Cb 0.41 -2.30 0.02 0.00 0.27 0.00 0.00 31.44 29.84 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 2.48 3.21 0.93 5.31 0.04 -1.26 -5.08 135.00 140.63 1sq3 s PRO 78 Ca 0.90 0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 1sq3 s PRO 78 Cb -0.88 -2.29 0.16 0.00 0.04 0.00 0.00 34.50 31.52 1sq3 s PRO 78 CO 0.53 -0.51 1.13 -1.25 0.04 0.00 0.00 177.00 176.94 1sq3 s PRO 79 N -4.92 0.88 0.00 0.56 0.04 -1.26 -4.99 135.00 125.31 1sq3 s PRO 79 Ca 0.52 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1sq3 s PRO 79 Cb -0.10 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1sq3 s PRO 79 CO 0.46 -2.69 0.12 -1.13 0.04 0.00 0.00 177.00 173.80 1sq3 n SER 80 N -4.27 0.24 -3.99 6.66 3.41 -1.26 -4.85 113.62 109.56 1sq3 n SER 80 Ca 0.11 -0.96 -0.15 0.00 -0.26 0.00 0.00 58.87 57.60 1sq3 n SER 80 Cb 0.52 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.01 0.47 0.13 4.33 0.41 -1.26 -4.62 118.70 118.14 1sq3 s GLU 81 Ca 0.00 -0.34 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 1sq3 s GLU 81 Cb 0.00 -0.40 -0.04 0.00 -1.78 0.00 0.00 34.13 31.91 1sq3 s GLU 81 CO 0.00 0.10 -0.10 -1.58 -0.49 0.00 0.00 175.26 173.19 1sq3 s TRP 82 N -0.43 1.19 0.28 1.61 0.51 -1.26 -5.05 118.94 115.78 1sq3 s TRP 82 Ca -0.01 -0.74 0.22 0.00 -2.12 0.00 0.00 56.10 53.45 1sq3 s TRP 82 Cb -0.04 -0.62 1.00 0.00 -0.81 0.00 0.00 33.47 32.99 1sq3 s TRP 82 CO -0.00 0.04 1.88 -0.44 -0.51 0.00 0.00 176.95 177.93 1sq3 h ASP 83 N 3.03 0.00 -4.23 2.95 3.32 -2.01 -3.47 116.42 116.01 1sq3 h ASP 83 Ca -0.37 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.90 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 0.60 0.26 0.74 -0.94 -1.72 0.00 0.00 179.24 178.18 1sq3 s SER 84 N -6.37 -0.19 0.23 6.45 1.04 -1.26 -4.98 113.70 108.61 1sq3 s SER 84 Ca -0.01 0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.30 1sq3 s SER 84 Cb 0.12 0.19 0.27 0.00 0.10 0.00 0.00 66.02 66.70 1sq3 s SER 84 CO 0.65 -0.30 1.58 -0.65 0.98 0.00 0.00 173.24 175.49 1sq3 h PRO 85 N 2.05 -0.04 -0.70 4.02 0.11 -1.99 -0.35 132.00 135.09 1sq3 h PRO 85 Ca -0.12 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.05 1sq3 h PRO 85 Cb 1.18 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1sq3 h PRO 85 CO 0.25 -0.03 0.40 1.25 -0.21 0.00 0.00 178.00 179.66 1sq3 h LEU 86 N -0.05 0.61 -0.53 2.35 5.85 -1.95 -0.86 115.31 120.73 1sq3 h LEU 86 Ca 0.34 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 1sq3 h LEU 86 Cb 0.60 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1sq3 h LEU 86 CO -0.85 0.40 0.03 0.00 -0.34 0.00 0.00 178.44 177.68 1sq3 h ALA 87 N 1.35 0.71 -0.90 1.25 0.00 -1.76 0.98 119.26 120.90 1sq3 h ALA 87 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sq3 h ALA 87 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1sq3 h ALA 87 CO -0.17 0.50 0.57 0.00 0.00 0.00 0.00 179.25 180.15 1sq3 h ALA 88 N 0.96 1.14 0.00 0.00 0.00 -0.45 -1.52 119.26 119.39 1sq3 h ALA 88 Ca 0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1sq3 h ALA 88 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sq3 h ALA 88 CO 0.02 0.57 -0.49 0.74 0.00 0.00 0.00 179.25 180.09 1sq3 h PHE 89 N 1.23 0.00 -0.33 0.00 0.04 -0.83 -1.05 116.94 116.00 1sq3 h PHE 89 Ca 0.33 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.02 1sq3 h PHE 89 Cb -0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1sq3 h PHE 89 CO -0.00 0.49 -0.11 0.93 -0.60 0.00 0.00 178.31 179.01 1sq3 h GLU 90 N 0.00 0.56 -0.33 1.51 5.08 -0.41 -0.82 114.58 120.17 1sq3 h GLU 90 Ca -0.00 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1sq3 h GLU 90 Cb 1.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1sq3 h GLU 90 CO 0.06 0.66 -0.23 1.25 -1.00 0.00 0.00 179.01 179.76 1sq3 h HIS 91 N 0.51 0.87 -0.29 4.33 2.76 -0.91 0.07 115.15 122.49 1sq3 h HIS 91 Ca 0.09 -0.24 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1sq3 h HIS 91 Cb 0.50 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 1sq3 h HIS 91 CO 0.02 0.98 -0.09 0.28 -1.30 0.00 0.00 177.93 177.82 1sq3 h VAL 92 N 0.51 0.68 0.12 5.26 2.07 -0.97 0.23 116.25 124.15 1sq3 h VAL 92 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1sq3 h VAL 92 Cb 0.79 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sq3 h VAL 92 CO 0.06 0.00 -0.06 0.22 0.02 0.00 0.00 177.57 177.82 1sq3 h TYR 93 N -0.02 -0.15 -0.22 1.57 3.20 -0.94 -0.33 116.97 120.09 1sq3 h TYR 93 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1sq3 h TYR 93 Cb 0.24 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1sq3 h TYR 93 CO -0.29 0.05 -0.12 0.93 -1.64 0.00 0.00 178.16 177.09 1sq3 h GLU 94 N -0.32 0.36 -0.59 1.82 4.39 -0.67 -1.14 114.58 118.43 1sq3 h GLU 94 Ca -0.02 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1sq3 h GLU 94 Cb 0.26 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1sq3 h GLU 94 CO 0.03 0.49 0.15 1.25 -1.16 0.00 0.00 179.01 179.77 1sq3 h HIS 95 N 0.34 0.97 -0.10 4.33 2.76 -0.09 -2.03 115.15 121.32 1sq3 h HIS 95 Ca 0.07 -0.11 -0.14 0.00 -2.20 0.00 0.00 60.37 57.99 1sq3 h HIS 95 Cb 0.43 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1sq3 h HIS 95 CO 0.01 0.82 -0.53 0.93 -1.30 0.00 0.00 177.93 177.86 1sq3 h GLU 96 N 0.84 0.29 -0.04 5.26 4.39 -0.19 -0.75 114.58 124.38 1sq3 h GLU 96 Ca 0.19 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1sq3 h GLU 96 Cb 0.33 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1sq3 h GLU 96 CO -0.00 0.75 -0.05 0.28 -1.16 0.00 0.00 179.01 178.83 1sq3 h VAL 97 N 0.22 1.06 0.02 3.13 2.07 -1.03 -0.42 116.25 121.30 1sq3 h VAL 97 Ca 0.00 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 1sq3 h VAL 97 Cb 1.01 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1sq3 h VAL 97 CO 0.08 0.08 -0.95 -1.13 0.02 0.00 0.00 177.57 175.67 1sq3 h ASN 98 N 0.05 0.12 -0.19 0.57 -1.24 -0.51 -2.51 115.58 111.87 1sq3 h ASN 98 Ca 0.01 -0.11 -0.05 0.00 0.71 0.00 0.00 56.30 56.86 1sq3 h ASN 98 Cb 0.12 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1sq3 h ASN 98 CO 0.01 1.00 -0.06 0.58 -1.29 0.00 0.00 177.43 177.66 1sq3 h VAL 99 N 0.04 1.30 -0.77 2.57 2.07 -0.49 -2.08 116.25 118.88 1sq3 h VAL 99 Ca -0.03 -1.07 0.16 0.00 0.82 0.00 0.00 66.70 66.58 1sq3 h VAL 99 Cb 1.64 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 32.92 1sq3 h VAL 99 CO 0.13 0.32 0.26 0.74 0.02 0.00 0.00 177.57 179.05 1sq3 h THR 100 N 0.07 0.56 -0.26 2.57 2.02 -1.12 0.20 112.91 116.95 1sq3 h THR 100 Ca 0.04 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1sq3 h THR 100 Cb 0.52 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1sq3 h THR 100 CO 0.02 0.07 -0.20 0.50 0.37 0.00 0.00 175.52 176.28 1sq3 h LYS 101 N 0.36 0.47 -0.22 6.66 3.64 -1.21 0.48 116.57 126.75 1sq3 h LYS 101 Ca 0.44 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 1sq3 h LYS 101 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1sq3 h LYS 101 CO -0.47 0.65 -0.53 0.00 -2.27 0.00 0.00 179.45 176.82 1sq3 h ARG 102 N 0.43 0.75 -0.02 1.90 2.47 -0.18 -2.09 114.38 117.64 1sq3 h ARG 102 Ca 0.07 -0.51 0.02 0.00 -1.26 0.00 0.00 59.98 58.29 1sq3 h ARG 102 Cb 0.59 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1sq3 h ARG 102 CO 0.04 1.14 -0.09 0.82 0.56 0.00 0.00 179.97 182.44 1sq3 h ILE 103 N 0.48 0.77 -0.21 2.04 1.08 0.14 -1.60 117.51 120.22 1sq3 h ILE 103 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1sq3 h ILE 103 Cb 1.15 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1sq3 h ILE 103 CO 0.12 0.00 0.10 0.45 -0.69 0.00 0.00 178.15 178.12 1sq3 h HIS 104 N -0.14 0.27 -0.10 1.37 3.86 -0.91 -1.30 115.15 118.20 1sq3 h HIS 104 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1sq3 h HIS 104 Cb 0.19 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1sq3 h HIS 104 CO -0.16 0.21 0.05 0.93 0.86 0.00 0.00 177.93 179.82 1sq3 h GLU 105 N 0.28 0.14 -0.82 2.45 5.08 -0.59 -1.28 114.58 119.84 1sq3 h GLU 105 Ca 0.07 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1sq3 h GLU 105 Cb 0.04 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1sq3 h GLU 105 CO -0.01 0.20 0.54 -0.07 -1.00 0.00 0.00 179.01 178.66 1sq3 h LEU 106 N 0.05 0.78 0.32 1.33 3.38 -0.65 -2.77 115.31 117.76 1sq3 h LEU 106 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sq3 h LEU 106 Cb 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sq3 h LEU 106 CO -0.00 0.50 -0.16 0.58 0.09 0.00 0.00 178.44 179.45 1sq3 h VAL 107 N 0.89 0.70 0.00 1.22 2.07 -0.89 -0.13 116.25 120.10 1sq3 h VAL 107 Ca 0.36 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1sq3 h VAL 107 Cb 0.25 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1sq3 h VAL 107 CO -0.13 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 176.92 1sq3 n GLU 108 N -5.19 0.00 -0.42 1.57 1.02 -0.52 -4.63 120.64 112.47 1sq3 n GLU 108 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1sq3 n GLU 108 Cb 0.25 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.61 -0.02 0.00 0.62 0.00 -0.07 -4.59 120.51 117.06 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 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.05 0.00 -0.32 0.00 6.02 -1.26 -1.36 117.38 120.41 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 0.01 0.00 0.29 0.00 1.02 0.00 0.00 30.24 31.56 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 2.59 -2.63 -1.09 1.02 -1.26 -4.92 120.64 114.34 1sq3 n GLU 113 Ca 0.00 -2.46 -0.13 0.00 -0.02 0.00 0.00 57.16 54.55 1sq3 n GLU 113 Cb 0.00 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 1.53 -2.57 -2.98 3.49 5.02 -0.97 -4.87 118.16 116.81 1sq3 n LYS 114 Ca 0.23 0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 56.57 1sq3 n LYS 114 Cb 0.59 -5.10 -0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1sq3 n LYS 114 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sq3 s ASP 115 N -2.16 7.07 0.30 4.39 -1.08 -0.47 -4.83 116.67 119.89 1sq3 s ASP 115 Ca 0.08 -3.00 0.07 0.00 -0.52 0.00 0.00 52.55 49.18 1sq3 s ASP 115 Cb -0.04 -2.38 0.47 0.00 -1.46 0.00 0.00 42.92 39.51 1sq3 s ASP 115 CO 0.10 -0.72 1.71 -0.26 0.52 0.00 0.00 175.17 176.51 1sq3 h PHE 116 N 7.20 0.25 -0.50 -5.34 0.04 -1.90 -2.13 116.94 114.56 1sq3 h PHE 116 Ca 0.29 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 1sq3 h PHE 116 Cb 0.88 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1sq3 h PHE 116 CO 1.07 0.60 -0.01 0.00 -0.60 0.00 0.00 178.31 179.37 1sq3 h ALA 117 N 1.39 0.68 -0.22 2.45 0.00 -1.96 -1.72 119.26 119.89 1sq3 h ALA 117 Ca 0.02 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1sq3 h ALA 117 Cb 0.82 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1sq3 h ALA 117 CO 0.06 0.50 -0.58 1.15 0.00 0.00 0.00 179.25 180.39 1sq3 h THR 118 N 0.76 1.30 -0.71 0.00 2.02 -1.93 -2.06 112.91 112.29 1sq3 h THR 118 Ca 0.14 -1.80 0.08 0.00 0.77 0.00 0.00 66.41 65.60 1sq3 h THR 118 Cb 0.54 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.63 1sq3 h THR 118 CO 0.03 0.57 0.38 0.22 0.37 0.00 0.00 175.52 177.09 1sq3 h TYR 119 N 0.52 0.69 -0.11 3.16 3.20 -1.25 -2.00 116.97 121.18 1sq3 h TYR 119 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1sq3 h TYR 119 Cb 1.15 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1sq3 h TYR 119 CO 0.06 0.29 -0.24 -0.97 -1.64 0.00 0.00 178.16 175.66 1sq3 h ASN 120 N 0.66 0.40 -0.94 -2.11 -0.73 -1.22 -3.05 115.58 108.60 1sq3 h ASN 120 Ca 0.34 -0.57 0.15 0.00 1.87 0.00 0.00 56.30 58.09 1sq3 h ASN 120 Cb 0.30 -0.11 -0.09 0.00 0.27 0.00 0.00 38.32 38.68 1sq3 h ASN 120 CO -0.23 0.89 0.55 0.15 -0.37 0.00 0.00 177.43 178.42 1sq3 h PHE 121 N -0.08 0.97 0.00 0.67 3.57 -1.26 -2.52 116.94 118.29 1sq3 h PHE 121 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1sq3 h PHE 121 Cb 0.83 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1sq3 h PHE 121 CO 0.11 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.75 1sq3 n LEU 122 N -4.76 0.64 -0.04 0.59 4.77 -0.76 -3.31 117.00 114.13 1sq3 n LEU 122 Ca 0.19 0.62 0.02 0.00 -0.03 0.00 0.00 56.01 56.81 1sq3 n LEU 122 Cb 0.44 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 1sq3 n LEU 122 CO 0.23 -0.39 1.12 1.56 -1.33 0.00 0.00 177.39 178.59 1sq3 h GLN 123 N 0.00 0.62 -0.74 3.23 1.08 -1.38 0.54 115.11 118.46 1sq3 h GLN 123 Ca 0.00 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 1sq3 h GLN 123 Cb 0.49 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.71 1sq3 h GLN 123 CO 0.00 0.46 0.35 2.35 -0.95 0.00 0.00 178.83 181.03 1sq3 h TRP 124 N 0.62 0.61 -0.24 2.96 7.01 -1.73 -0.72 115.95 124.47 1sq3 h TRP 124 Ca 0.16 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.03 1sq3 h TRP 124 Cb 0.02 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1sq3 h TRP 124 CO 0.00 0.18 -0.50 1.88 -2.79 0.00 0.00 178.44 177.21 1sq3 h TYR 125 N 0.56 0.82 -0.70 2.65 -1.99 -1.24 -1.55 116.97 115.51 1sq3 h TYR 125 Ca 0.38 -0.27 0.10 0.00 2.00 0.00 0.00 58.73 60.94 1sq3 h TYR 125 Cb 0.47 -0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.97 1sq3 h TYR 125 CO -0.12 1.03 0.33 0.28 -0.00 0.00 0.00 178.16 179.67 1sq3 h VAL 126 N 0.52 0.82 0.05 -2.88 2.07 -0.23 -1.07 116.25 115.52 1sq3 h VAL 126 Ca 0.02 -0.19 -0.24 0.00 0.82 0.00 0.00 66.70 67.11 1sq3 h VAL 126 Cb 1.05 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1sq3 h VAL 126 CO 0.10 0.10 -1.04 0.00 0.02 0.00 0.00 177.57 176.75 1sq3 h ALA 127 N 1.44 0.30 -0.89 1.67 0.00 -1.07 -3.17 119.26 117.54 1sq3 h ALA 127 Ca 0.35 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1sq3 h ALA 127 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1sq3 h ALA 127 CO -0.29 0.91 0.48 1.49 0.00 0.00 0.00 179.25 181.84 1sq3 h GLU 128 N 0.14 1.24 -0.18 0.00 4.57 -1.06 -2.86 114.58 116.43 1sq3 h GLU 128 Ca -0.09 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 1sq3 h GLU 128 Cb 1.71 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 1sq3 h GLU 128 CO 0.17 0.92 -0.23 1.96 -1.18 0.00 0.00 179.01 180.65 1sq3 h GLN 129 N 1.25 0.33 -0.24 1.92 1.08 -1.17 -0.60 115.11 117.67 1sq3 h GLN 129 Ca 0.31 -0.11 0.05 0.00 -1.45 0.00 0.00 58.65 57.46 1sq3 h GLN 129 Cb 0.04 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1sq3 h GLN 129 CO -0.05 0.55 -0.11 0.28 -0.95 0.00 0.00 178.83 178.55 1sq3 h VAL 130 N 0.30 0.65 -0.58 -0.54 2.07 -1.48 -0.67 116.25 116.00 1sq3 h VAL 130 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1sq3 h VAL 130 Cb 0.58 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1sq3 h VAL 130 CO 0.04 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.79 1sq3 h GLU 131 N -0.07 0.87 -0.45 1.57 4.22 -1.38 -2.28 114.58 117.05 1sq3 h GLU 131 Ca 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1sq3 h GLU 131 Cb 0.26 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1sq3 h GLU 131 CO -0.29 0.74 0.27 0.93 -2.18 0.00 0.00 179.01 178.49 1sq3 h GLU 132 N 0.80 0.60 -0.56 1.92 4.39 -0.36 0.15 114.58 121.53 1sq3 h GLU 132 Ca 0.19 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1sq3 h GLU 132 Cb 0.20 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1sq3 h GLU 132 CO -0.02 0.44 0.21 0.93 -1.16 0.00 0.00 179.01 179.41 1sq3 h GLU 133 N 0.60 0.84 -0.58 2.33 5.08 -1.15 -2.84 114.58 118.86 1sq3 h GLU 133 Ca 0.16 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1sq3 h GLU 133 Cb -0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1sq3 h GLU 133 CO -0.03 0.75 -0.02 0.00 -1.00 0.00 0.00 179.01 178.71 1sq3 h ALA 134 N 1.06 0.86 -0.72 3.43 0.00 -0.95 -0.55 119.26 122.40 1sq3 h ALA 134 Ca 0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1sq3 h ALA 134 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sq3 h ALA 134 CO -0.01 0.66 0.18 0.77 0.00 0.00 0.00 179.25 180.85 1sq3 h SER 135 N 0.94 1.09 -0.02 0.00 0.02 -0.96 -0.97 113.55 113.65 1sq3 h SER 135 Ca 0.16 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1sq3 h SER 135 Cb 0.57 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1sq3 h SER 135 CO 0.03 1.03 -0.38 0.00 -1.14 0.00 0.00 176.83 176.38 1sq3 h ALA 136 N 1.10 0.07 -0.58 3.77 0.00 -1.34 -3.09 119.26 119.19 1sq3 h ALA 136 Ca 0.23 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1sq3 h ALA 136 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sq3 h ALA 136 CO 0.00 0.19 0.38 1.25 0.00 0.00 0.00 179.25 181.08 1sq3 h LEU 137 N -0.29 0.53 -1.17 0.00 5.85 -0.99 -0.64 115.31 118.60 1sq3 h LEU 137 Ca -0.04 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1sq3 h LEU 137 Cb 1.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1sq3 h LEU 137 CO 0.08 0.36 0.14 0.44 -0.34 0.00 0.00 178.44 179.12 1sq3 h ASP 138 N 0.61 0.67 0.59 1.25 3.32 -1.15 -0.11 116.42 121.60 1sq3 h ASP 138 Ca 0.24 -0.10 -0.24 0.00 0.02 0.00 0.00 57.03 56.95 1sq3 h ASP 138 Cb 0.18 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sq3 h ASP 138 CO -0.07 0.64 -1.08 0.40 -1.72 0.00 0.00 179.24 177.41 1sq3 h ILE 139 N 0.71 1.50 -0.17 0.35 2.04 -1.17 -1.65 117.51 119.11 1sq3 h ILE 139 Ca 0.16 -2.87 -0.00 0.00 1.00 0.00 0.00 64.86 63.15 1sq3 h ILE 139 Cb 0.23 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1sq3 h ILE 139 CO -0.01 0.84 0.10 0.58 0.00 0.00 0.00 178.15 179.67 1sq3 h VAL 140 N 0.11 1.07 -0.52 1.67 2.07 -0.74 0.12 116.25 120.04 1sq3 h VAL 140 Ca -0.09 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1sq3 h VAL 140 Cb 1.77 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1sq3 h VAL 140 CO 0.17 0.07 0.14 -0.33 0.02 0.00 0.00 177.57 177.64 1sq3 h GLU 141 N 0.20 0.78 -0.24 1.57 5.08 -1.00 0.22 114.58 121.19 1sq3 h GLU 141 Ca 0.06 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1sq3 h GLU 141 Cb 0.02 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1sq3 h GLU 141 CO -0.01 0.70 -0.58 0.87 -1.00 0.00 0.00 179.01 178.99 1sq3 h LYS 142 N 0.76 0.77 -0.71 2.33 1.57 -0.59 -0.36 116.57 120.33 1sq3 h LYS 142 Ca 0.17 -0.51 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1sq3 h LYS 142 Cb 0.26 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1sq3 h LYS 142 CO -0.00 1.13 0.46 -0.07 -0.57 0.00 0.00 179.45 180.39 1sq3 h LEU 143 N 0.58 0.76 0.08 2.94 3.38 0.10 -1.46 115.31 121.70 1sq3 h LEU 143 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sq3 h LEU 143 Cb 1.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1sq3 h LEU 143 CO 0.12 0.53 -0.07 0.03 0.09 0.00 0.00 178.44 179.14 1sq3 h ARG 144 N 0.90 -0.16 -0.28 1.13 3.08 -0.31 -0.58 114.38 118.16 1sq3 h ARG 144 Ca 0.28 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.42 1sq3 h ARG 144 Cb -0.02 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1sq3 h ARG 144 CO -0.09 -0.11 0.41 1.25 -1.07 0.00 0.00 179.97 180.36 1sq3 h LEU 145 N -0.17 0.00 0.01 3.04 6.46 -0.53 -2.68 115.31 121.45 1sq3 h LEU 145 Ca 0.00 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.39 1sq3 h LEU 145 Cb 0.16 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.02 1sq3 h LEU 145 CO -0.02 0.00 -2.31 -0.38 -0.62 0.00 0.00 178.44 175.11 1sq3 n ILE 146 N -3.46 1.50 0.00 4.05 5.41 -0.60 -4.99 119.36 121.27 1sq3 n ILE 146 Ca 0.04 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1sq3 n ILE 146 Cb 0.55 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 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 1.97 2.40 0.05 7.39 0.00 -0.27 -2.03 105.19 114.69 1sq3 n GLY 147 Ca -0.37 0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 6.34 0.12 -1.77 1.61 -0.58 -1.26 -4.88 120.64 120.22 1sq3 n GLU 148 Ca 0.00 -0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.22 1sq3 n GLU 148 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 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 5.84 0.17 1.62 -1.08 -0.86 -4.84 116.67 114.57 1sq3 s ASP 149 Ca 0.09 1.87 0.14 0.00 -0.52 0.00 0.00 52.55 54.13 1sq3 s ASP 149 Cb 0.16 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1sq3 s ASP 149 CO 0.82 -1.66 1.20 0.11 0.52 0.00 0.00 175.17 176.17 1sq3 h LYS 150 N 13.24 0.00 -0.22 4.34 1.57 -1.90 -2.82 116.57 130.79 1sq3 h LYS 150 Ca -0.40 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 1sq3 h LYS 150 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1sq3 h LYS 150 CO 0.98 0.55 -0.32 0.00 -0.57 0.00 0.00 179.45 180.09 1sq3 h ARG 151 N 0.00 0.45 -0.10 3.15 3.08 -1.99 -0.24 114.38 118.74 1sq3 h ARG 151 Ca -0.06 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 1sq3 h ARG 151 Cb 1.56 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.60 1sq3 h ARG 151 CO 0.08 0.72 -0.56 0.00 -1.07 0.00 0.00 179.97 179.14 1sq3 h ALA 152 N 1.27 0.20 -0.81 0.04 0.00 -1.96 -1.35 119.26 116.64 1sq3 h ALA 152 Ca 0.05 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1sq3 h ALA 152 Cb 0.75 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1sq3 h ALA 152 CO 0.06 0.42 0.41 1.25 0.00 0.00 0.00 179.25 181.39 1sq3 h LEU 153 N 0.15 0.49 -0.83 0.00 5.85 -1.29 0.30 115.31 119.99 1sq3 h LEU 153 Ca -0.04 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1sq3 h LEU 153 Cb 1.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1sq3 h LEU 153 CO 0.12 0.22 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.84 1sq3 h LEU 154 N 0.61 0.00 -0.42 2.25 3.38 -0.84 0.13 115.31 120.42 1sq3 h LEU 154 Ca 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1sq3 h LEU 154 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1sq3 h LEU 154 CO -0.34 0.53 0.14 0.15 0.09 0.00 0.00 178.44 179.00 1sq3 h PHE 155 N 0.00 0.67 -0.19 1.13 3.04 0.02 -2.08 116.94 119.53 1sq3 h PHE 155 Ca -0.01 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.78 1sq3 h PHE 155 Cb 1.02 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1sq3 h PHE 155 CO 0.00 0.61 -0.31 1.25 -2.02 0.00 0.00 178.31 177.84 1sq3 h LEU 156 N 0.53 0.39 -0.66 0.59 5.85 -0.43 -2.27 115.31 119.31 1sq3 h LEU 156 Ca 0.14 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1sq3 h LEU 156 Cb 0.25 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1sq3 h LEU 156 CO -0.01 0.69 0.34 -0.78 -0.34 0.00 0.00 178.44 178.34 1sq3 h ASP 157 N 0.34 0.84 -0.01 1.25 3.58 -0.50 -1.87 116.42 120.06 1sq3 h ASP 157 Ca 0.04 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1sq3 h ASP 157 Cb 0.71 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1sq3 h ASP 157 CO 0.05 0.72 0.01 0.50 -2.88 0.00 0.00 179.24 177.64 1sq3 h LYS 158 N 0.91 0.01 -0.72 0.28 3.11 -1.08 -1.23 116.57 117.85 1sq3 h LYS 158 Ca 0.23 -0.00 0.14 0.00 -2.81 0.00 0.00 60.65 58.21 1sq3 h LYS 158 Cb 0.08 -0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.21 1sq3 h LYS 158 CO -0.03 0.04 0.24 0.93 -2.81 0.00 0.00 179.45 177.82 1sq3 h GLU 159 N -0.02 0.35 0.00 1.90 4.39 -1.18 -1.54 114.58 118.48 1sq3 h GLU 159 Ca 0.00 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1sq3 h GLU 159 Cb 0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1sq3 h GLU 159 CO -0.00 0.23 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.68 1sq3 h LEU 160 N 0.36 0.00 -1.71 1.33 4.07 -0.59 -1.90 115.31 116.88 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 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1sq3 h LEU 160 CO -0.43 0.33 0.00 0.77 -1.08 0.00 0.00 178.44 178.03 1sq3 h SER 161 N 0.00 0.00 1.08 -0.43 4.64 -0.18 -1.09 113.55 117.57 1sq3 h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sq3 h SER 161 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1sq3 h SER 161 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1sq3 n LEU 162 N -2.60 0.56 -4.78 5.97 4.32 -0.71 -4.92 117.00 114.84 1sq3 n LEU 162 Ca -0.01 0.58 -0.37 0.00 -0.02 0.00 0.00 56.01 56.20 1sq3 n LEU 162 Cb 0.12 -0.44 -0.03 0.00 -1.62 0.00 0.00 43.42 41.45 1sq3 n LEU 162 CO 0.17 -0.27 0.76 -0.60 -1.22 0.00 0.00 177.39 176.23 1sq3 s ARG 163 N -3.14 4.06 0.00 3.23 3.52 -0.41 -5.16 118.95 121.05 1sq3 s ARG 163 Ca 0.09 1.57 0.02 0.00 -0.13 0.00 0.00 55.73 57.28 1sq3 s ARG 163 Cb 0.12 -2.49 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1sq3 s ARG 163 CO 0.49 -0.25 0.58 0.94 -0.81 0.00 0.00 175.30 176.25