#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 0.11 -1.92 2.46 3.06 -1.26 -4.92 119.36 116.89 1sq3 n ILE 4 Ca 0.00 -0.02 -0.32 0.00 -2.50 0.00 0.00 62.75 59.91 1sq3 n ILE 4 Cb 0.00 -1.65 0.02 0.00 0.54 0.00 0.00 39.64 38.55 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 1.53 5.63 0.21 9.51 1.04 -1.26 -4.89 113.70 125.47 1sq3 s SER 5 Ca 0.81 1.80 -0.14 0.00 0.48 0.00 0.00 55.95 58.90 1sq3 s SER 5 Cb -0.66 -2.53 0.22 0.00 0.10 0.00 0.00 66.02 63.16 1sq3 s SER 5 CO 0.40 -1.27 1.63 -0.33 0.98 0.00 0.00 173.24 174.65 1sq3 h GLU 6 N 0.18 0.01 0.00 4.02 3.07 -2.03 -0.47 114.58 119.35 1sq3 h GLU 6 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1sq3 h GLU 6 Cb 1.22 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1sq3 h GLU 6 CO 0.57 0.00 0.00 1.17 -1.40 0.00 0.00 179.01 179.35 1sq3 n LYS 7 N -5.41 0.00 0.00 2.33 4.81 -1.26 -1.32 118.16 117.31 1sq3 n LYS 7 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1sq3 n LYS 7 Cb 0.32 -0.91 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 -0.08 0.00 -0.12 3.15 0.31 -0.19 -1.94 118.33 119.46 1sq3 n VAL 9 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1sq3 n VAL 9 Cb 0.00 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.23 1sq3 n VAL 9 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1sq3 h GLU 10 N 0.00 0.78 -0.49 5.55 -0.00 -1.47 0.06 114.58 119.02 1sq3 h GLU 10 Ca 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 59.23 1sq3 h GLU 10 Cb 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 28.57 1sq3 h GLU 10 CO 0.00 0.57 0.09 0.00 -0.00 0.00 0.00 179.01 179.67 1sq3 h ALA 11 N 1.56 0.64 -0.42 1.06 0.00 -1.64 -0.70 119.26 119.77 1sq3 h ALA 11 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1sq3 h ALA 11 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sq3 h ALA 11 CO -0.04 0.36 0.01 -0.07 0.00 0.00 0.00 179.25 179.51 1sq3 h LEU 12 N 0.67 0.73 -1.64 0.00 3.38 -1.67 -1.09 115.31 115.68 1sq3 h LEU 12 Ca 0.15 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1sq3 h LEU 12 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1sq3 h LEU 12 CO 0.01 0.85 0.29 0.78 0.09 0.00 0.00 178.44 180.46 1sq3 h ASN 13 N 0.58 0.40 -0.15 -0.43 2.35 -0.81 0.19 115.58 117.71 1sq3 h ASN 13 Ca 0.12 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1sq3 h ASN 13 Cb 0.47 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1sq3 h ASN 13 CO 0.02 0.28 -0.41 0.03 -1.65 0.00 0.00 177.43 175.70 1sq3 h ARG 14 N 0.46 0.54 -0.73 0.81 2.47 -0.86 -2.32 114.38 114.76 1sq3 h ARG 14 Ca 0.18 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1sq3 h ARG 14 Cb 0.13 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1sq3 h ARG 14 CO -0.04 1.00 0.46 0.37 0.56 0.00 0.00 179.97 182.32 1sq3 h GLN 15 N 0.18 0.96 -0.24 0.04 5.75 -0.37 -1.23 115.11 120.20 1sq3 h GLN 15 Ca -0.01 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1sq3 h GLN 15 Cb 1.03 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 1sq3 h GLN 15 CO 0.09 0.65 0.04 0.82 -2.65 0.00 0.00 178.83 177.79 1sq3 h ILE 16 N 0.99 0.89 -0.54 2.39 2.04 -0.58 0.10 117.51 122.80 1sq3 h ILE 16 Ca 0.26 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1sq3 h ILE 16 Cb -0.09 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 1sq3 h ILE 16 CO -0.05 0.02 0.09 -1.13 0.00 0.00 0.00 178.15 177.08 1sq3 h ASN 17 N 0.14 -0.05 -0.57 1.72 -1.24 -0.80 -0.59 115.58 114.19 1sq3 h ASN 17 Ca 0.11 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1sq3 h ASN 17 Cb 0.11 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 1sq3 h ASN 17 CO -0.15 -0.00 0.37 0.00 -1.29 0.00 0.00 177.43 176.36 1sq3 h ALA 18 N 1.44 1.57 -0.04 1.57 0.00 -0.39 0.17 119.26 123.57 1sq3 h ALA 18 Ca 0.28 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 1sq3 h ALA 18 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sq3 h ALA 18 CO -0.38 0.39 -0.84 0.93 0.00 0.00 0.00 179.25 179.35 1sq3 h GLU 19 N 0.78 0.43 -0.21 0.00 4.39 0.25 -0.99 114.58 119.24 1sq3 h GLU 19 Ca 0.21 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 1sq3 h GLU 19 Cb -0.07 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1sq3 h GLU 19 CO -0.04 1.06 -0.36 0.82 -1.16 0.00 0.00 179.01 179.33 1sq3 h ILE 20 N 0.27 1.32 -0.31 3.13 2.04 -0.49 -1.89 117.51 121.58 1sq3 h ILE 20 Ca -0.06 -1.57 0.06 0.00 1.00 0.00 0.00 64.86 64.29 1sq3 h ILE 20 Cb 1.45 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.29 1sq3 h ILE 20 CO 0.15 0.49 -0.01 0.22 0.00 0.00 0.00 178.15 178.99 1sq3 h TYR 21 N 0.30 -0.04 -0.73 1.37 3.20 -0.68 0.23 116.97 120.62 1sq3 h TYR 21 Ca 0.02 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1sq3 h TYR 21 Cb 0.95 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 39.15 1sq3 h TYR 21 CO 0.09 -0.07 -0.04 0.77 -1.64 0.00 0.00 178.16 177.27 1sq3 h SER 22 N 0.08 -0.41 -0.03 -2.11 0.02 -1.07 0.40 113.55 110.43 1sq3 h SER 22 Ca 0.15 0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1sq3 h SER 22 Cb 0.21 0.36 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1sq3 h SER 22 CO -0.26 -0.19 -0.32 0.00 -1.14 0.00 0.00 176.83 174.92 1sq3 h ALA 23 N 1.69 -0.43 -0.22 3.77 0.00 -0.29 -0.37 119.26 123.41 1sq3 h ALA 23 Ca 0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1sq3 h ALA 23 Cb 0.66 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1sq3 h ALA 23 CO -0.67 -0.82 -0.13 -0.92 0.00 0.00 0.00 179.25 176.72 1sq3 h TYR 24 N -0.45 0.37 -0.19 0.00 3.20 0.86 0.69 116.97 121.46 1sq3 h TYR 24 Ca 0.07 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1sq3 h TYR 24 Cb 0.55 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1sq3 h TYR 24 CO -0.36 0.48 0.05 1.25 -1.64 0.00 0.00 178.16 177.94 1sq3 h LEU 25 N 0.33 0.28 -1.16 2.82 5.85 0.25 0.67 115.31 124.35 1sq3 h LEU 25 Ca 0.06 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sq3 h LEU 25 Cb 0.43 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1sq3 h LEU 25 CO 0.03 0.43 0.50 1.88 -0.34 0.00 0.00 178.44 180.94 1sq3 h TYR 26 N 0.12 1.03 -0.62 1.25 0.05 -0.03 -2.81 116.97 115.97 1sq3 h TYR 26 Ca 0.06 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 1sq3 h TYR 26 Cb 0.26 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1sq3 h TYR 26 CO 0.01 0.67 0.02 1.25 -1.05 0.00 0.00 178.16 179.06 1sq3 h LEU 27 N 1.10 1.06 -1.81 3.88 5.85 -0.42 -1.03 115.31 123.94 1sq3 h LEU 27 Ca 0.29 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sq3 h LEU 27 Cb -0.08 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.67 1sq3 h LEU 27 CO -0.06 1.09 0.00 -0.24 -0.34 0.00 0.00 178.44 178.90 1sq3 n SER 28 N -4.19 0.05 0.00 1.25 2.88 0.18 -2.38 113.62 111.41 1sq3 n SER 28 Ca 0.03 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1sq3 n SER 28 Cb 0.34 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.89 0.00 -0.11 -1.46 0.00 -0.39 -1.99 120.51 117.46 1sq3 n ALA 30 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1sq3 n ALA 30 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 0.91 -0.03 0.00 0.87 -1.76 0.81 113.55 114.35 1sq3 h SER 31 Ca 0.00 -0.47 0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1sq3 h SER 31 Cb 0.00 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1sq3 h SER 31 CO 0.00 1.20 -0.12 0.22 -0.53 0.00 0.00 176.83 177.60 1sq3 h TYR 32 N 0.64 -0.30 -0.44 2.24 3.20 -1.66 0.83 116.97 121.49 1sq3 h TYR 32 Ca 0.05 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 1sq3 h TYR 32 Cb 0.95 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1sq3 h TYR 32 CO 0.07 -0.18 -0.29 0.74 -1.64 0.00 0.00 178.16 176.86 1sq3 h PHE 33 N -0.18 1.13 -0.46 -3.82 0.04 -1.82 -0.89 116.94 110.93 1sq3 h PHE 33 Ca 0.05 -0.30 0.08 0.00 2.80 0.00 0.00 57.97 60.60 1sq3 h PHE 33 Cb 0.25 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1sq3 h PHE 33 CO -0.19 1.13 0.06 0.22 -0.60 0.00 0.00 178.31 178.93 1sq3 h ASP 34 N 0.81 -0.06 -0.05 2.17 1.82 -0.79 -1.80 116.42 118.51 1sq3 h ASP 34 Ca 0.09 0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1sq3 h ASP 34 Cb 0.88 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 1sq3 h ASP 34 CO 0.08 -0.00 0.07 0.77 -1.61 0.00 0.00 179.24 178.55 1sq3 h SER 35 N 0.19 0.00 -0.30 2.28 4.64 0.57 -1.89 113.55 119.03 1sq3 h SER 35 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1sq3 h SER 35 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1sq3 h SER 35 CO -0.33 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.93 1sq3 n ILE 36 N -3.72 1.74 -0.59 0.95 -5.35 -0.87 -4.98 119.36 106.53 1sq3 n ILE 36 Ca -0.02 -1.49 0.00 0.00 -0.27 0.00 0.00 62.75 60.97 1sq3 n ILE 36 Cb 0.16 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 -0.04 0.64 3.09 3.28 0.00 -0.71 -5.00 105.19 106.45 1sq3 n GLY 37 Ca 0.17 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 5.49 0.42 0.99 1.43 -0.73 -4.88 118.68 121.40 1sq3 s LEU 38 Ca 0.00 -3.68 0.23 0.00 -1.03 0.00 0.00 54.13 49.65 1sq3 s LEU 38 Cb 0.00 -1.89 0.65 0.00 0.03 0.00 0.00 46.19 44.98 1sq3 s LEU 38 CO 0.00 -0.19 1.71 0.11 0.23 0.00 0.00 176.35 178.21 1sq3 h LYS 39 N 6.03 0.00 -0.06 1.70 1.79 -1.92 -1.25 116.57 122.86 1sq3 h LYS 39 Ca 0.15 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.49 1sq3 h LYS 39 Cb 0.82 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1sq3 h LYS 39 CO 0.84 0.21 -0.44 0.78 -1.08 0.00 0.00 179.45 179.75 1sq3 h GLY 40 N 2.85 0.45 0.91 3.86 0.00 -1.90 -0.65 103.07 108.58 1sq3 h GLY 40 Ca -0.00 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1sq3 h GLY 40 CO 0.03 0.60 0.28 0.74 0.00 0.00 0.00 176.54 178.19 1sq3 h PHE 41 N -0.06 0.52 -0.52 5.60 -1.00 -1.64 -0.23 116.94 119.61 1sq3 h PHE 41 Ca -0.04 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.86 1sq3 h PHE 41 Cb 1.11 -0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.41 1sq3 h PHE 41 CO 0.13 0.31 -0.08 1.03 -1.61 0.00 0.00 178.31 178.08 1sq3 h SER 42 N 0.56 -0.39 -0.59 2.17 0.87 -1.23 -1.71 113.55 113.23 1sq3 h SER 42 Ca 0.18 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1sq3 h SER 42 Cb 0.00 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1sq3 h SER 42 CO -0.08 -0.14 0.17 -1.13 -0.53 0.00 0.00 176.83 175.12 1sq3 h ASN 43 N 0.04 0.87 0.00 6.23 -0.73 -0.61 -0.11 115.58 121.27 1sq3 h ASN 43 Ca 0.26 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1sq3 h ASN 43 Cb 0.40 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1sq3 h ASN 43 CO -0.50 0.85 0.00 1.87 -0.37 0.00 0.00 177.43 179.28 1sq3 n TRP 44 N -4.40 0.00 0.00 0.67 -0.00 -0.14 -1.16 117.44 112.41 1sq3 n TRP 44 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1sq3 n TRP 44 Cb 0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.49 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 0.59 0.00 -0.12 5.87 5.12 -0.05 -1.21 116.66 126.86 1sq3 n ARG 46 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1sq3 n ARG 46 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 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 1.27 0.00 1.55 2.07 -1.40 -1.95 116.25 117.80 1sq3 h VAL 47 Ca 0.00 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1sq3 h VAL 47 Cb 0.00 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1sq3 h VAL 47 CO 0.00 0.36 -0.20 -0.61 0.02 0.00 0.00 177.57 177.14 1sq3 h GLN 48 N 0.44 0.00 -0.16 1.57 5.75 -1.41 -0.33 115.11 120.96 1sq3 h GLN 48 Ca 0.09 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1sq3 h GLN 48 Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1sq3 h GLN 48 CO 0.03 0.20 -0.05 2.35 -2.65 0.00 0.00 178.83 178.71 1sq3 h TRP 49 N 0.00 0.35 -0.77 3.99 2.91 -1.67 -1.74 115.95 119.01 1sq3 h TRP 49 Ca -0.00 -0.08 -0.04 0.00 1.13 0.00 0.00 58.89 59.90 1sq3 h TRP 49 Cb 0.36 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 1sq3 h TRP 49 CO 0.00 0.59 0.32 1.96 -1.03 0.00 0.00 178.44 180.29 1sq3 h GLN 50 N 0.00 1.14 -0.60 2.65 4.20 -1.13 -2.11 115.11 119.26 1sq3 h GLN 50 Ca 0.04 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1sq3 h GLN 50 Cb 0.49 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1sq3 h GLN 50 CO 0.02 0.91 0.28 1.49 -0.67 0.00 0.00 178.83 180.86 1sq3 h GLU 51 N 1.12 0.88 -0.03 1.46 4.81 -0.98 -3.02 114.58 118.82 1sq3 h GLU 51 Ca 0.26 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1sq3 h GLU 51 Cb 0.19 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1sq3 h GLU 51 CO -0.02 0.72 -0.55 0.93 -0.73 0.00 0.00 179.01 179.35 1sq3 h GLU 52 N 0.83 0.09 -0.99 1.92 4.39 -0.94 0.42 114.58 120.30 1sq3 h GLU 52 Ca 0.21 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1sq3 h GLU 52 Cb 0.14 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1sq3 h GLU 52 CO -0.02 0.61 0.00 1.28 -1.16 0.00 0.00 179.01 179.72 1sq3 n LEU 53 N -3.89 0.00 0.00 1.33 4.32 -0.83 -0.98 117.00 116.95 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 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1sq3 n LEU 53 CO 0.42 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.00 1sq3 n HIS 55 N 0.74 0.00 0.00 -1.77 8.25 0.14 -4.63 115.22 117.95 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 0.93 -1.06 -1.41 0.00 -0.15 -4.74 120.51 114.07 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 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.28 -1.40 0.00 0.00 4.81 -1.26 -4.63 118.16 115.95 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 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 -0.87 0.00 0.08 5.64 -0.00 -1.26 -1.96 117.46 119.09 1sq3 n PHE 60 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1sq3 n PHE 60 Cb 0.15 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 39.91 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 0.30 0.27 -2.13 3.32 -1.98 -2.58 116.42 113.62 1sq3 h ASP 61 Ca 0.00 -0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.72 1sq3 h ASP 61 Cb 0.00 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1sq3 h ASP 61 CO 0.00 0.57 -0.97 0.15 -1.72 0.00 0.00 179.24 177.27 1sq3 h PHE 62 N 0.27 0.70 -0.72 4.55 3.57 -1.78 -0.56 116.94 122.98 1sq3 h PHE 62 Ca 0.04 -0.39 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 1sq3 h PHE 62 Cb 0.61 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1sq3 h PHE 62 CO 0.01 1.21 0.24 0.28 -2.23 0.00 0.00 178.31 177.82 1sq3 h VAL 63 N 0.26 1.26 0.00 1.41 2.07 -1.82 -2.63 116.25 116.80 1sq3 h VAL 63 Ca -0.09 -0.88 -0.19 0.00 0.82 0.00 0.00 66.70 66.36 1sq3 h VAL 63 Cb 1.61 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sq3 h VAL 63 CO 0.17 0.35 -0.87 -1.28 0.02 0.00 0.00 177.57 175.96 1sq3 h SER 64 N 1.06 0.22 -0.61 0.57 0.87 -1.41 -1.41 113.55 112.85 1sq3 h SER 64 Ca 0.23 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1sq3 h SER 64 Cb 0.29 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1sq3 h SER 64 CO -0.01 0.98 0.09 -0.08 -0.53 0.00 0.00 176.83 177.28 1sq3 h GLU 65 N 0.10 1.02 0.00 2.24 4.81 -1.01 -2.32 114.58 119.43 1sq3 h GLU 65 Ca -0.04 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1sq3 h GLU 65 Cb 1.49 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1sq3 h GLU 65 CO 0.13 0.96 0.00 0.54 -0.73 0.00 0.00 179.01 179.91 1sq3 n ARG 66 N -4.27 0.70 -2.88 1.92 5.12 -1.00 -4.86 116.66 111.38 1sq3 n ARG 66 Ca 0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.86 1sq3 n ARG 66 Cb 0.29 -1.40 0.04 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.36 0.25 3.70 -0.13 0.00 -0.87 -4.67 105.19 103.83 1sq3 n GLY 67 Ca 0.14 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.25 2.41 -0.29 -0.02 0.00 -0.54 -5.02 107.32 100.60 1sq3 s GLY 68 Ca 0.19 -2.13 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 1sq3 s GLY 68 CO 0.32 -1.98 0.05 -1.60 0.00 0.00 0.00 173.10 169.88 1sq3 s ARG 69 N -3.85 2.92 -0.01 2.90 6.06 -1.26 -3.89 118.95 121.82 1sq3 s ARG 69 Ca 0.38 -0.96 -0.30 0.00 -2.50 0.00 0.00 55.73 52.35 1sq3 s ARG 69 Cb 0.06 -3.29 -0.06 0.00 0.06 0.00 0.00 34.95 31.72 1sq3 s ARG 69 CO 0.21 -0.48 1.50 0.08 -2.50 0.00 0.00 175.30 174.10 1sq3 s VAL 70 N 1.43 3.59 -0.16 7.11 1.01 -1.26 -4.96 120.40 127.17 1sq3 s VAL 70 Ca 0.01 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1sq3 s VAL 70 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1sq3 s VAL 70 CO 0.01 -0.03 0.13 -0.75 0.00 0.00 0.00 175.10 174.47 1sq3 s LYS 71 N 2.89 3.77 -0.21 2.72 2.47 -1.26 -5.10 119.74 125.03 1sq3 s LYS 71 Ca 0.67 -0.17 -0.12 0.00 -1.56 0.00 0.00 55.97 54.78 1sq3 s LYS 71 Cb -0.33 -3.29 -0.05 0.00 -1.46 0.00 0.00 37.83 32.71 1sq3 s LYS 71 CO 0.27 0.56 0.24 -0.51 0.16 0.00 0.00 175.35 176.08 1sq3 s LEU 72 N -0.40 4.16 0.25 5.43 1.43 -1.26 -4.86 118.68 123.43 1sq3 s LEU 72 Ca 0.12 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1sq3 s LEU 72 Cb -0.12 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1sq3 s LEU 72 CO 0.01 0.05 0.29 -0.31 0.23 0.00 0.00 176.35 176.62 1sq3 s TYR 73 N 0.94 3.28 0.30 0.29 2.02 -1.26 -5.08 117.35 117.83 1sq3 s TYR 73 Ca 0.12 -0.07 -0.26 0.00 -0.37 0.00 0.00 57.07 56.49 1sq3 s TYR 73 Cb -0.13 -1.52 -0.15 0.00 -0.40 0.00 0.00 41.96 39.76 1sq3 s TYR 73 CO 0.04 0.45 0.52 0.00 -1.57 0.00 0.00 175.55 175.00 1sq3 n ALA 74 N -1.32 -2.20 -2.91 3.71 0.00 -1.26 -4.98 120.51 111.55 1sq3 n ALA 74 Ca -0.08 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 1sq3 n ALA 74 Cb 0.57 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.24 4.60 0.46 0.00 1.01 -1.26 -5.05 120.40 118.92 1sq3 s VAL 75 Ca 0.62 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 1sq3 s VAL 75 Cb -0.77 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1sq3 s VAL 75 CO 0.58 0.35 1.19 -1.61 0.00 0.00 0.00 175.10 175.61 1sq3 s GLU 76 N 1.38 3.74 -0.24 2.72 0.41 -1.26 -4.93 118.70 120.52 1sq3 s GLU 76 Ca 0.06 1.85 -0.38 0.00 -0.41 0.00 0.00 54.97 56.09 1sq3 s GLU 76 Cb -0.15 -2.44 -0.14 0.00 -1.78 0.00 0.00 34.13 29.62 1sq3 s GLU 76 CO 0.05 -0.59 1.86 -1.91 -0.49 0.00 0.00 175.26 174.18 1sq3 n GLU 77 N -0.44 1.44 -1.90 1.61 2.13 -1.26 -4.96 120.64 117.26 1sq3 n GLU 77 Ca 0.07 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 58.10 1sq3 n GLU 77 Cb 0.47 -2.32 0.04 0.00 0.27 0.00 0.00 31.44 29.90 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 4.17 3.03 0.98 5.31 0.04 -1.26 -5.07 135.00 142.20 1sq3 s PRO 78 Ca 0.99 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1sq3 s PRO 78 Cb -0.93 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 31.74 1sq3 s PRO 78 CO 0.59 -0.92 1.08 -1.25 0.04 0.00 0.00 177.00 176.55 1sq3 s PRO 79 N -5.31 0.58 0.00 0.56 0.04 -1.26 -5.01 135.00 124.60 1sq3 s PRO 79 Ca 0.57 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1sq3 s PRO 79 Cb -0.11 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1sq3 s PRO 79 CO 0.52 -2.70 0.04 -1.13 0.04 0.00 0.00 177.00 173.77 1sq3 n SER 80 N -4.20 0.08 -4.26 6.66 3.41 -1.26 -4.89 113.62 109.17 1sq3 n SER 80 Ca 0.06 -0.40 -0.18 0.00 -0.26 0.00 0.00 58.87 58.09 1sq3 n SER 80 Cb 0.55 0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.18 1.07 0.01 4.33 0.41 -1.26 -4.62 118.70 118.47 1sq3 s GLU 81 Ca 0.00 -1.31 -0.06 0.00 -0.41 0.00 0.00 54.97 53.19 1sq3 s GLU 81 Cb 0.00 -0.91 -0.01 0.00 -1.78 0.00 0.00 34.13 31.43 1sq3 s GLU 81 CO 0.00 0.17 0.10 -1.58 -0.49 0.00 0.00 175.26 173.46 1sq3 s TRP 82 N -2.38 0.12 0.52 1.61 0.51 -1.26 -5.04 118.94 113.01 1sq3 s TRP 82 Ca 0.12 -0.29 0.21 0.00 -2.12 0.00 0.00 56.10 54.03 1sq3 s TRP 82 Cb -0.04 -0.09 1.41 0.00 -0.81 0.00 0.00 33.47 33.94 1sq3 s TRP 82 CO 0.03 -0.29 2.14 -0.44 -0.51 0.00 0.00 176.95 177.89 1sq3 h ASP 83 N 4.21 0.00 -4.94 2.95 3.32 -2.00 -3.45 116.42 116.50 1sq3 h ASP 83 Ca -0.31 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.93 1sq3 h ASP 83 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 1sq3 h ASP 83 CO 0.43 0.05 0.62 -0.94 -1.72 0.00 0.00 179.24 177.67 1sq3 s SER 84 N -6.66 -0.21 0.27 6.45 1.04 -1.26 -4.97 113.70 108.36 1sq3 s SER 84 Ca -0.05 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 1sq3 s SER 84 Cb 0.16 0.32 0.62 0.00 0.10 0.00 0.00 66.02 67.22 1sq3 s SER 84 CO 0.63 -0.56 1.67 -0.65 0.98 0.00 0.00 173.24 175.30 1sq3 h PRO 85 N 2.00 0.25 -0.19 4.02 0.11 -1.99 0.60 132.00 136.79 1sq3 h PRO 85 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sq3 h PRO 85 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1sq3 h PRO 85 CO 0.27 0.16 0.12 1.25 -0.21 0.00 0.00 178.00 179.60 1sq3 h LEU 86 N 0.25 0.23 -0.93 2.35 5.85 -1.95 -0.56 115.31 120.56 1sq3 h LEU 86 Ca 0.50 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.16 1sq3 h LEU 86 Cb 0.96 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1sq3 h LEU 86 CO -0.59 0.19 0.33 0.00 -0.34 0.00 0.00 178.44 178.03 1sq3 h ALA 87 N 1.05 1.16 0.04 1.25 0.00 -1.69 -0.52 119.26 120.54 1sq3 h ALA 87 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sq3 h ALA 87 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sq3 h ALA 87 CO -0.01 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1sq3 h ALA 88 N 1.28 -0.08 0.00 0.00 0.00 -0.44 -1.47 119.26 118.55 1sq3 h ALA 88 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1sq3 h ALA 88 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sq3 h ALA 88 CO -0.03 -0.55 -0.33 0.74 0.00 0.00 0.00 179.25 179.08 1sq3 h PHE 89 N -0.10 0.00 -0.44 0.00 0.04 -0.73 -1.63 116.94 114.07 1sq3 h PHE 89 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1sq3 h PHE 89 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1sq3 h PHE 89 CO -0.10 0.33 0.12 0.93 -0.60 0.00 0.00 178.31 178.99 1sq3 h GLU 90 N 0.00 0.65 -0.40 1.51 5.08 -0.86 -1.31 114.58 119.26 1sq3 h GLU 90 Ca -0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1sq3 h GLU 90 Cb 0.85 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1sq3 h GLU 90 CO 0.04 0.59 -0.21 1.25 -1.00 0.00 0.00 179.01 179.69 1sq3 h HIS 91 N 0.64 0.98 -0.53 4.33 2.76 -0.48 -2.03 115.15 120.81 1sq3 h HIS 91 Ca 0.15 -0.25 0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1sq3 h HIS 91 Cb 0.22 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 1sq3 h HIS 91 CO 0.01 1.02 0.28 0.28 -1.30 0.00 0.00 177.93 178.21 1sq3 h VAL 92 N 0.65 0.96 0.55 5.26 2.07 -1.12 0.07 116.25 124.71 1sq3 h VAL 92 Ca 0.09 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1sq3 h VAL 92 Cb 0.77 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1sq3 h VAL 92 CO 0.06 0.10 -0.27 0.22 0.02 0.00 0.00 177.57 177.70 1sq3 h TYR 93 N 0.54 -0.69 -0.69 1.57 3.20 -1.04 0.64 116.97 120.51 1sq3 h TYR 93 Ca 0.23 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.23 1sq3 h TYR 93 Cb 0.13 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 38.50 1sq3 h TYR 93 CO -0.10 -0.37 -0.18 0.93 -1.64 0.00 0.00 178.16 176.80 1sq3 h GLU 94 N -0.90 -0.01 -0.62 1.82 3.07 -1.26 0.09 114.58 116.78 1sq3 h GLU 94 Ca -0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1sq3 h GLU 94 Cb 0.62 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1sq3 h GLU 94 CO 0.12 -0.00 0.29 1.25 -1.40 0.00 0.00 179.01 179.27 1sq3 h HIS 95 N -0.01 0.90 -0.15 4.33 2.76 -0.63 -0.95 115.15 121.41 1sq3 h HIS 95 Ca 0.33 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1sq3 h HIS 95 Cb 0.51 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1sq3 h HIS 95 CO -0.56 0.69 -0.42 0.93 -1.30 0.00 0.00 177.93 177.27 1sq3 h GLU 96 N 0.85 0.34 -0.74 5.26 4.39 -0.21 0.62 114.58 125.09 1sq3 h GLU 96 Ca 0.21 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1sq3 h GLU 96 Cb 0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1sq3 h GLU 96 CO -0.03 0.71 0.33 0.28 -1.16 0.00 0.00 179.01 179.14 1sq3 h VAL 97 N 0.28 1.24 -0.47 3.13 2.07 0.05 0.84 116.25 123.41 1sq3 h VAL 97 Ca 0.02 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1sq3 h VAL 97 Cb 0.87 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sq3 h VAL 97 CO 0.07 0.30 0.20 0.78 0.02 0.00 0.00 177.57 178.94 1sq3 h ASN 98 N 1.06 0.63 -0.12 0.57 2.35 -0.75 -2.04 115.58 117.28 1sq3 h ASN 98 Ca 0.25 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1sq3 h ASN 98 Cb 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1sq3 h ASN 98 CO -0.03 0.62 -0.01 0.58 -1.65 0.00 0.00 177.43 176.94 1sq3 h VAL 99 N 0.61 1.15 -0.24 2.81 2.07 0.24 -2.29 116.25 120.60 1sq3 h VAL 99 Ca 0.16 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1sq3 h VAL 99 Cb 0.17 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1sq3 h VAL 99 CO -0.01 0.20 0.09 0.74 0.02 0.00 0.00 177.57 178.61 1sq3 h THR 100 N 0.33 1.17 -0.60 2.57 2.02 -0.74 -2.11 112.91 115.54 1sq3 h THR 100 Ca 0.07 -0.53 0.12 0.00 0.77 0.00 0.00 66.41 66.85 1sq3 h THR 100 Cb 0.24 1.07 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 1sq3 h THR 100 CO 0.01 0.18 -0.11 0.11 0.37 0.00 0.00 175.52 176.07 1sq3 h LYS 101 N 0.24 0.03 -0.47 6.66 1.79 -0.90 -1.46 116.57 122.44 1sq3 h LYS 101 Ca 0.08 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1sq3 h LYS 101 Cb 0.19 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1sq3 h LYS 101 CO -0.01 0.02 0.19 0.00 -1.08 0.00 0.00 179.45 178.57 1sq3 h ARG 102 N 0.03 0.71 -0.75 3.15 3.08 -1.07 -2.10 114.38 117.42 1sq3 h ARG 102 Ca 0.30 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1sq3 h ARG 102 Cb 0.47 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1sq3 h ARG 102 CO -0.59 0.63 0.50 0.82 -1.07 0.00 0.00 179.97 180.26 1sq3 h ILE 103 N 0.62 1.19 0.00 2.04 1.08 -1.00 0.08 117.51 121.52 1sq3 h ILE 103 Ca 0.16 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1sq3 h ILE 103 Cb 0.19 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1sq3 h ILE 103 CO -0.01 0.19 -0.21 0.45 -0.69 0.00 0.00 178.15 177.87 1sq3 h HIS 104 N 1.01 0.00 -0.01 1.37 3.86 -0.96 0.13 115.15 120.55 1sq3 h HIS 104 Ca 0.28 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.29 1sq3 h HIS 104 Cb -0.11 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.38 1sq3 h HIS 104 CO -0.02 0.21 -0.78 0.93 0.86 0.00 0.00 177.93 179.13 1sq3 h GLU 105 N 0.00 0.55 -0.48 2.45 5.08 -0.68 -2.05 114.58 119.44 1sq3 h GLU 105 Ca -0.00 -0.57 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1sq3 h GLU 105 Cb 0.56 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1sq3 h GLU 105 CO 0.03 1.20 0.14 -0.07 -1.00 0.00 0.00 179.01 179.31 1sq3 h LEU 106 N 0.13 0.66 0.19 1.33 3.38 -0.16 -2.89 115.31 117.95 1sq3 h LEU 106 Ca -0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1sq3 h LEU 106 Cb 1.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1sq3 h LEU 106 CO 0.15 0.64 -0.09 0.58 0.09 0.00 0.00 178.44 179.81 1sq3 h VAL 107 N 0.70 0.82 0.00 1.22 2.07 -0.69 -1.54 116.25 118.83 1sq3 h VAL 107 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1sq3 h VAL 107 Cb 0.22 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1sq3 h VAL 107 CO -0.01 0.01 0.00 1.21 0.02 0.00 0.00 177.57 178.80 1sq3 n GLU 108 N -5.19 0.19 -0.39 1.57 4.07 -0.78 -4.71 120.64 115.40 1sq3 n GLU 108 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1sq3 n GLU 108 Cb 0.13 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sq3 n ALA 110 N 0.90 0.00 0.00 4.31 0.00 -0.58 -4.62 120.51 120.52 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 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.39 0.00 -0.18 0.00 6.02 -1.26 0.22 117.38 121.78 1sq3 n GLN 112 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1sq3 n GLN 112 Cb 0.00 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.36 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 1.80 -3.70 -1.09 1.02 -1.26 -4.89 120.64 112.51 1sq3 n GLU 113 Ca 0.00 -0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 56.04 1sq3 n GLU 113 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.14 -1.16 -3.00 3.49 5.02 -0.99 -4.84 118.16 116.82 1sq3 n LYS 114 Ca 0.07 0.09 -0.44 0.00 -2.02 0.00 0.00 58.31 56.01 1sq3 n LYS 114 Cb 0.35 -3.98 -0.02 0.00 -0.02 0.00 0.00 35.03 31.36 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 -2.66 6.81 0.14 4.39 -1.08 0.13 -4.83 116.67 119.57 1sq3 s ASP 115 Ca 0.57 -2.48 0.03 0.00 -0.52 0.00 0.00 52.55 50.15 1sq3 s ASP 115 Cb -0.33 -2.37 -0.11 0.00 -1.46 0.00 0.00 42.92 38.65 1sq3 s ASP 115 CO 0.69 -0.87 1.31 -0.26 0.52 0.00 0.00 175.17 176.56 1sq3 h PHE 116 N 8.11 0.22 0.09 -5.34 0.04 -1.88 -0.68 116.94 117.51 1sq3 h PHE 116 Ca 0.20 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1sq3 h PHE 116 Cb 0.98 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1sq3 h PHE 116 CO 1.11 1.03 -0.08 0.00 -0.60 0.00 0.00 178.31 179.76 1sq3 h ALA 117 N 0.92 -0.16 -0.71 2.45 0.00 -1.97 0.64 119.26 120.42 1sq3 h ALA 117 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1sq3 h ALA 117 Cb 1.66 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1sq3 h ALA 117 CO 0.14 -0.60 0.33 1.15 0.00 0.00 0.00 179.25 180.27 1sq3 h THR 118 N -0.19 1.23 0.14 0.00 2.02 -1.85 -0.78 112.91 113.48 1sq3 h THR 118 Ca 0.00 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1sq3 h THR 118 Cb 0.18 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1sq3 h THR 118 CO -0.02 0.27 -0.07 0.22 0.37 0.00 0.00 175.52 176.30 1sq3 h TYR 119 N 1.01 -0.18 -0.54 3.16 3.20 -0.81 -1.13 116.97 121.68 1sq3 h TYR 119 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1sq3 h TYR 119 Cb 0.11 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1sq3 h TYR 119 CO 0.01 -0.11 0.27 -0.91 -1.64 0.00 0.00 178.16 175.78 1sq3 h ASN 120 N -0.20 0.67 -0.06 -2.11 -0.26 -0.66 -2.56 115.58 110.40 1sq3 h ASN 120 Ca -0.02 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.54 1sq3 h ASN 120 Cb 0.15 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1sq3 h ASN 120 CO 0.03 0.56 -0.34 0.15 -1.06 0.00 0.00 177.43 176.77 1sq3 h PHE 121 N 0.75 0.64 0.00 1.19 3.57 -0.58 -2.77 116.94 119.74 1sq3 h PHE 121 Ca 0.19 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sq3 h PHE 121 Cb 0.06 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1sq3 h PHE 121 CO 0.01 0.83 0.00 1.28 -2.23 0.00 0.00 178.31 178.19 1sq3 n LEU 122 N -4.06 0.62 0.23 0.59 4.77 -0.48 -2.94 117.00 115.73 1sq3 n LEU 122 Ca -0.01 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 1sq3 n LEU 122 Cb 0.48 -0.43 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 1sq3 n LEU 122 CO 0.44 -0.27 0.87 1.56 -1.33 0.00 0.00 177.39 178.66 1sq3 h GLN 123 N 0.00 0.00 -0.72 3.23 1.08 -1.36 0.49 115.11 117.83 1sq3 h GLN 123 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1sq3 h GLN 123 Cb 0.57 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1sq3 h GLN 123 CO 0.00 0.22 0.36 2.35 -0.95 0.00 0.00 178.83 180.81 1sq3 h TRP 124 N 0.00 1.03 -0.17 2.96 7.01 -1.70 -1.85 115.95 123.23 1sq3 h TRP 124 Ca -0.00 -0.04 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 1sq3 h TRP 124 Cb 0.43 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1sq3 h TRP 124 CO 0.00 0.75 -0.53 1.88 -2.79 0.00 0.00 178.44 177.74 1sq3 h TYR 125 N 1.01 0.62 -0.55 2.65 -1.99 -1.12 0.44 116.97 118.02 1sq3 h TYR 125 Ca 0.25 -0.21 0.02 0.00 2.00 0.00 0.00 58.73 60.79 1sq3 h TYR 125 Cb 0.09 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1sq3 h TYR 125 CO 0.00 0.92 0.34 0.28 -0.00 0.00 0.00 178.16 179.71 1sq3 h VAL 126 N 0.38 1.08 -0.38 -2.88 2.07 -0.90 -0.19 116.25 115.43 1sq3 h VAL 126 Ca 0.01 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1sq3 h VAL 126 Cb 1.06 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1sq3 h VAL 126 CO 0.10 0.12 -0.27 0.00 0.02 0.00 0.00 177.57 177.54 1sq3 h ALA 127 N 1.23 0.80 -0.19 1.67 0.00 -1.13 -2.90 119.26 118.74 1sq3 h ALA 127 Ca 0.22 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1sq3 h ALA 127 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sq3 h ALA 127 CO -0.08 0.65 -0.32 1.49 0.00 0.00 0.00 179.25 180.98 1sq3 h GLU 128 N 0.69 0.39 -0.08 0.00 4.57 -0.41 -2.98 114.58 116.76 1sq3 h GLU 128 Ca 0.08 -0.16 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 1sq3 h GLU 128 Cb 0.81 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1sq3 h GLU 128 CO 0.07 0.67 -0.69 1.96 -1.18 0.00 0.00 179.01 179.84 1sq3 h GLN 129 N 0.33 0.37 -0.78 1.92 1.08 -0.90 -0.98 115.11 116.16 1sq3 h GLN 129 Ca 0.04 -0.29 0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1sq3 h GLN 129 Cb 0.73 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 1sq3 h GLN 129 CO 0.06 0.92 0.44 0.28 -0.95 0.00 0.00 178.83 179.58 1sq3 h VAL 130 N 0.26 0.94 -0.18 -0.54 2.07 -1.36 -1.43 116.25 116.01 1sq3 h VAL 130 Ca -0.02 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1sq3 h VAL 130 Cb 1.24 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1sq3 h VAL 130 CO 0.12 0.14 -0.16 -0.08 0.02 0.00 0.00 177.57 177.60 1sq3 h GLU 131 N 0.78 0.43 -0.41 1.57 4.22 -1.43 -2.56 114.58 117.17 1sq3 h GLU 131 Ca 0.36 -0.22 0.08 0.00 0.08 0.00 0.00 59.36 59.66 1sq3 h GLU 131 Cb 0.28 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1sq3 h GLU 131 CO -0.22 0.78 -0.11 0.93 -2.18 0.00 0.00 179.01 178.21 1sq3 h GLU 132 N 0.09 -0.02 0.02 1.92 4.39 -0.72 -1.18 114.58 119.09 1sq3 h GLU 132 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1sq3 h GLU 132 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1sq3 h GLU 132 CO 0.04 -0.01 -0.01 0.93 -1.16 0.00 0.00 179.01 178.80 1sq3 h GLU 133 N -0.02 -0.03 -0.49 2.33 5.08 -1.29 -1.15 114.58 119.01 1sq3 h GLU 133 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1sq3 h GLU 133 Cb 0.32 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1sq3 h GLU 133 CO -0.43 0.19 0.20 0.00 -1.00 0.00 0.00 179.01 177.97 1sq3 h ALA 134 N 0.71 0.60 -0.18 3.43 0.00 -1.28 0.21 119.26 122.76 1sq3 h ALA 134 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sq3 h ALA 134 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sq3 h ALA 134 CO 0.01 -0.18 0.07 0.77 0.00 0.00 0.00 179.25 179.91 1sq3 h SER 135 N 0.39 0.09 -0.39 0.00 0.02 -1.06 -1.30 113.55 111.31 1sq3 h SER 135 Ca 0.23 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1sq3 h SER 135 Cb 0.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1sq3 h SER 135 CO -0.21 0.08 0.07 0.00 -1.14 0.00 0.00 176.83 175.63 1sq3 h ALA 136 N 1.10 0.51 -0.67 3.77 0.00 -0.64 -2.88 119.26 120.45 1sq3 h ALA 136 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sq3 h ALA 136 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sq3 h ALA 136 CO -0.07 0.21 0.44 1.25 0.00 0.00 0.00 179.25 181.08 1sq3 h LEU 137 N 0.49 0.77 -0.67 0.00 5.85 -0.41 -0.66 115.31 120.68 1sq3 h LEU 137 Ca 0.12 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sq3 h LEU 137 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1sq3 h LEU 137 CO 0.01 0.56 0.40 -0.78 -0.34 0.00 0.00 178.44 178.29 1sq3 h ASP 138 N 0.91 0.81 0.14 1.25 3.58 -1.11 0.36 116.42 122.35 1sq3 h ASP 138 Ca 0.24 -0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.46 1sq3 h ASP 138 Cb -0.10 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 1sq3 h ASP 138 CO -0.05 0.64 -0.61 0.40 -2.88 0.00 0.00 179.24 176.73 1sq3 h ILE 139 N 0.91 1.34 -0.71 2.25 2.04 -1.27 -0.53 117.51 121.55 1sq3 h ILE 139 Ca 0.24 -1.91 0.08 0.00 1.00 0.00 0.00 64.86 64.27 1sq3 h ILE 139 Cb -0.02 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 1sq3 h ILE 139 CO -0.04 0.58 0.38 0.58 0.00 0.00 0.00 178.15 179.65 1sq3 h VAL 140 N 0.35 0.90 -0.11 1.67 2.07 -0.20 -0.03 116.25 120.90 1sq3 h VAL 140 Ca -0.01 -0.23 -0.18 0.00 0.82 0.00 0.00 66.70 67.11 1sq3 h VAL 140 Cb 1.15 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1sq3 h VAL 140 CO 0.11 0.12 -0.68 -0.33 0.02 0.00 0.00 177.57 176.81 1sq3 h GLU 141 N 0.66 0.47 0.00 1.57 5.08 -0.68 -1.90 114.58 119.78 1sq3 h GLU 141 Ca 0.34 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1sq3 h GLU 141 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1sq3 h GLU 141 CO -0.24 0.99 -0.25 0.87 -1.00 0.00 0.00 179.01 179.38 1sq3 h LYS 142 N 0.34 0.00 0.12 2.33 1.57 -0.36 -2.42 116.57 118.14 1sq3 h LYS 142 Ca -0.02 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.48 1sq3 h LYS 142 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1sq3 h LYS 142 CO 0.12 0.25 -1.26 -0.07 -0.57 0.00 0.00 179.45 177.92 1sq3 h LEU 143 N 0.00 0.39 -0.47 2.94 3.38 -0.70 -2.38 115.31 118.46 1sq3 h LEU 143 Ca -0.00 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1sq3 h LEU 143 Cb 0.70 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1sq3 h LEU 143 CO 0.03 1.34 0.21 0.03 0.09 0.00 0.00 178.44 180.14 1sq3 h ARG 144 N 0.07 0.40 0.07 1.13 3.08 -0.89 -1.76 114.38 116.48 1sq3 h ARG 144 Ca -0.14 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1sq3 h ARG 144 Cb 1.96 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.92 1sq3 h ARG 144 CO 0.19 0.26 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.25 1sq3 h LEU 145 N 0.41 -0.08 -0.69 3.04 4.07 -1.54 -3.18 115.31 117.34 1sq3 h LEU 145 Ca 0.22 -0.11 0.12 0.00 0.08 0.00 0.00 57.88 58.19 1sq3 h LEU 145 Cb 0.17 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.85 1sq3 h LEU 145 CO -0.18 0.06 0.25 0.40 -1.08 0.00 0.00 178.44 177.88 1sq3 h ILE 146 N -0.22 0.68 0.00 1.22 2.04 -1.11 -3.46 117.51 116.66 1sq3 h ILE 146 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1sq3 h ILE 146 Cb 0.19 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1sq3 h ILE 146 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1sq3 n GLY 147 N -1.32 3.84 0.32 5.37 0.00 -0.69 -1.28 105.19 111.43 1sq3 n GLY 147 Ca 0.12 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 13.56 0.94 -2.23 1.61 -0.58 -1.26 -4.94 120.64 127.73 1sq3 n GLU 148 Ca 0.00 -0.64 -0.43 0.00 -0.42 0.00 0.00 57.16 55.67 1sq3 n GLU 148 Cb 0.00 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 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 -2.50 6.83 -0.06 1.62 -1.08 -0.40 -4.92 116.67 116.14 1sq3 s ASP 149 Ca 0.22 1.97 0.03 0.00 -0.52 0.00 0.00 52.55 54.26 1sq3 s ASP 149 Cb 0.19 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.86 1sq3 s ASP 149 CO 0.54 -0.81 0.58 0.11 0.52 0.00 0.00 175.17 176.12 1sq3 h LYS 150 N 8.62 0.13 0.00 4.34 6.56 -1.92 -2.84 116.57 131.46 1sq3 h LYS 150 Ca -0.33 -0.22 -0.08 0.00 -1.06 0.00 0.00 60.65 58.96 1sq3 h LYS 150 Cb 1.15 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1sq3 h LYS 150 CO 0.95 0.84 -0.37 0.07 -2.06 0.00 0.00 179.45 178.88 1sq3 h ARG 151 N 0.04 0.00 0.01 3.15 -0.00 -1.98 -2.06 114.38 113.53 1sq3 h ARG 151 Ca -0.33 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.46 1sq3 h ARG 151 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.97 1sq3 h ARG 151 CO 0.09 0.37 -0.90 0.00 -0.00 0.00 0.00 179.97 179.54 1sq3 h ALA 152 N 1.63 0.52 -0.21 0.08 0.00 -1.94 0.03 119.26 119.37 1sq3 h ALA 152 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1sq3 h ALA 152 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sq3 h ALA 152 CO 0.05 1.04 0.02 1.25 0.00 0.00 0.00 179.25 181.61 1sq3 h LEU 153 N 0.03 0.35 -1.71 0.00 5.85 -1.26 -0.22 115.31 118.35 1sq3 h LEU 153 Ca -0.03 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1sq3 h LEU 153 Cb 1.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1sq3 h LEU 153 CO 0.12 0.54 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.65 1sq3 h LEU 154 N 0.14 0.11 0.06 2.25 3.38 -1.30 0.57 115.31 120.51 1sq3 h LEU 154 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sq3 h LEU 154 Cb 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sq3 h LEU 154 CO 0.01 0.18 -0.03 0.15 0.09 0.00 0.00 178.44 178.84 1sq3 h PHE 155 N 0.12 -0.07 -0.84 1.13 3.57 -0.55 -1.21 116.94 119.09 1sq3 h PHE 155 Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1sq3 h PHE 155 Cb 0.17 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1sq3 h PHE 155 CO 0.00 0.19 0.55 1.25 -2.23 0.00 0.00 178.31 178.08 1sq3 h LEU 156 N -0.33 0.86 -0.22 0.59 5.85 -0.77 -2.16 115.31 119.13 1sq3 h LEU 156 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1sq3 h LEU 156 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1sq3 h LEU 156 CO 0.01 0.57 0.11 -0.78 -0.34 0.00 0.00 178.44 178.01 1sq3 h ASP 157 N 0.98 0.29 -0.79 1.25 3.58 -0.38 -1.30 116.42 120.06 1sq3 h ASP 157 Ca 0.35 -0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.78 1sq3 h ASP 157 Cb 0.13 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.03 1sq3 h ASP 157 CO -0.12 0.33 0.42 0.50 -2.88 0.00 0.00 179.24 177.49 1sq3 h LYS 158 N 0.23 0.68 -0.97 0.28 3.64 -1.09 -1.36 116.57 117.97 1sq3 h LYS 158 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sq3 h LYS 158 Cb 0.11 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1sq3 h LYS 158 CO -0.01 0.45 0.62 1.49 -2.27 0.00 0.00 179.45 179.72 1sq3 h GLU 159 N 0.70 1.29 0.00 1.90 4.81 -0.65 -2.31 114.58 120.32 1sq3 h GLU 159 Ca 0.39 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1sq3 h GLU 159 Cb 0.41 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1sq3 h GLU 159 CO -0.27 0.88 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.75 1sq3 h LEU 160 N 1.32 0.00 -1.59 1.64 3.38 -0.73 -2.54 115.31 116.80 1sq3 h LEU 160 Ca 0.35 -0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.59 1sq3 h LEU 160 Cb -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1sq3 h LEU 160 CO -0.07 0.00 0.69 0.28 0.09 0.00 0.00 178.44 179.43 1sq3 h SER 161 N 0.00 0.30 1.23 -0.43 0.02 -0.67 -2.70 113.55 111.30 1sq3 h SER 161 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1sq3 h SER 161 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1sq3 h SER 161 CO 0.00 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 1sq3 n LEU 162 N -4.48 0.79 -4.74 5.07 4.32 -0.95 -4.82 117.00 112.19 1sq3 n LEU 162 Ca 0.23 0.61 -0.41 0.00 -0.02 0.00 0.00 56.01 56.43 1sq3 n LEU 162 Cb 0.92 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1sq3 n LEU 162 CO 0.31 -0.32 0.90 -0.60 -1.22 0.00 0.00 177.39 176.46 1sq3 s ARG 163 N -3.18 4.47 0.00 3.23 3.52 -1.02 -5.17 118.95 120.81 1sq3 s ARG 163 Ca 0.08 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.65 1sq3 s ARG 163 Cb 0.11 -3.21 0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1sq3 s ARG 163 CO 0.53 -0.10 0.60 1.04 -0.81 0.00 0.00 175.30 176.56