#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq3 s ILE 4 N 0.00 2.22 0.69 2.46 2.07 -1.26 -4.98 121.20 122.40 1sq3 s ILE 4 Ca 0.00 0.16 -0.08 0.00 -1.41 0.00 0.00 60.65 59.32 1sq3 s ILE 4 Cb 0.00 -3.10 0.04 0.00 0.13 0.00 0.00 42.46 39.53 1sq3 s ILE 4 CO 0.00 0.01 1.02 -0.94 -1.91 0.00 0.00 174.94 173.12 1sq3 s SER 5 N 1.07 5.05 0.24 4.50 1.04 -1.26 -4.95 113.70 119.40 1sq3 s SER 5 Ca 0.72 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.85 1sq3 s SER 5 Cb -0.48 -1.38 0.25 0.00 0.10 0.00 0.00 66.02 64.52 1sq3 s SER 5 CO 0.34 -1.47 1.56 -0.33 0.98 0.00 0.00 173.24 174.32 1sq3 h GLU 6 N -0.55 0.17 -0.12 4.02 5.08 -2.04 -2.27 114.58 118.86 1sq3 h GLU 6 Ca -0.45 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1sq3 h GLU 6 Cb 1.29 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1sq3 h GLU 6 CO 0.62 0.74 0.00 1.17 -1.00 0.00 0.00 179.01 180.54 1sq3 n LYS 7 N -3.83 0.13 0.00 2.33 4.81 -1.26 -1.58 118.16 118.75 1sq3 n LYS 7 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sq3 n LYS 7 Cb 0.63 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.62 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 0.41 0.00 -0.11 3.15 0.31 -0.86 -1.79 118.33 119.44 1sq3 n VAL 9 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1sq3 n VAL 9 Cb 0.03 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.49 -0.55 5.55 4.57 -1.57 0.20 114.58 123.26 1sq3 h GLU 10 Ca 0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1sq3 h GLU 10 Cb 0.00 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1sq3 h GLU 10 CO 0.00 0.35 0.20 0.00 -1.18 0.00 0.00 179.01 178.38 1sq3 h ALA 11 N 1.11 0.72 -0.29 2.92 0.00 -1.60 0.97 119.26 123.09 1sq3 h ALA 11 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sq3 h ALA 11 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1sq3 h ALA 11 CO -0.03 0.36 0.14 -0.07 0.00 0.00 0.00 179.25 179.64 1sq3 h LEU 12 N 0.76 0.20 -1.41 0.00 3.38 -1.80 -0.67 115.31 115.77 1sq3 h LEU 12 Ca 0.18 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1sq3 h LEU 12 Cb 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1sq3 h LEU 12 CO -0.01 0.15 0.43 0.78 0.09 0.00 0.00 178.44 179.88 1sq3 h ASN 13 N 0.29 0.66 -0.20 -0.43 2.35 0.29 0.15 115.58 118.69 1sq3 h ASN 13 Ca 0.12 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 1sq3 h ASN 13 Cb 0.05 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1sq3 h ASN 13 CO -0.09 0.45 -0.45 0.03 -1.65 0.00 0.00 177.43 175.72 1sq3 h ARG 14 N 0.77 0.76 -0.23 0.81 2.47 -0.22 -1.95 114.38 116.78 1sq3 h ARG 14 Ca 0.26 -0.42 -0.06 0.00 -1.26 0.00 0.00 59.98 58.50 1sq3 h ARG 14 Cb 0.10 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1sq3 h ARG 14 CO -0.07 1.05 -0.12 0.37 0.56 0.00 0.00 179.97 181.75 1sq3 h GLN 15 N 0.61 0.38 -0.45 0.04 5.75 -0.45 -1.20 115.11 119.78 1sq3 h GLN 15 Ca 0.04 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1sq3 h GLN 15 Cb 1.02 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1sq3 h GLN 15 CO 0.10 0.51 0.26 0.82 -2.65 0.00 0.00 178.83 177.86 1sq3 h ILE 16 N 0.36 1.16 -0.89 2.39 2.04 -0.22 0.27 117.51 122.62 1sq3 h ILE 16 Ca 0.07 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1sq3 h ILE 16 Cb 0.43 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1sq3 h ILE 16 CO 0.02 0.16 0.59 -1.13 0.00 0.00 0.00 178.15 177.80 1sq3 h ASN 17 N 0.60 1.02 -0.13 1.72 -1.24 -1.13 -1.64 115.58 114.78 1sq3 h ASN 17 Ca 0.16 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.05 1sq3 h ASN 17 Cb 0.04 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1sq3 h ASN 17 CO -0.03 0.73 -0.20 0.00 -1.29 0.00 0.00 177.43 176.64 1sq3 h ALA 18 N 1.33 1.09 -0.30 1.57 0.00 -0.35 0.14 119.26 122.74 1sq3 h ALA 18 Ca 0.33 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1sq3 h ALA 18 Cb -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sq3 h ALA 18 CO -0.08 0.56 -0.30 0.93 0.00 0.00 0.00 179.25 180.36 1sq3 h GLU 19 N 0.50 0.62 -0.05 0.00 4.39 0.06 -1.07 114.58 119.03 1sq3 h GLU 19 Ca 0.08 -0.27 -0.20 0.00 0.34 0.00 0.00 59.36 59.31 1sq3 h GLU 19 Cb 0.63 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1sq3 h GLU 19 CO 0.04 0.85 -0.80 0.82 -1.16 0.00 0.00 179.01 178.76 1sq3 h ILE 20 N 0.53 1.40 -0.16 3.13 2.04 -0.69 -2.15 117.51 121.61 1sq3 h ILE 20 Ca 0.06 -2.27 -0.06 0.00 1.00 0.00 0.00 64.86 63.59 1sq3 h ILE 20 Cb 0.78 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1sq3 h ILE 20 CO 0.06 0.68 -0.17 0.22 0.00 0.00 0.00 178.15 178.95 1sq3 h TYR 21 N 0.24 0.27 -0.44 1.37 3.20 -0.55 -1.33 116.97 119.74 1sq3 h TYR 21 Ca -0.05 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.70 1sq3 h TYR 21 Cb 1.40 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1sq3 h TYR 21 CO 0.05 0.42 -0.05 0.77 -1.64 0.00 0.00 178.16 177.71 1sq3 h SER 22 N 0.24 0.81 -0.60 -2.11 0.02 -0.73 0.56 113.55 111.75 1sq3 h SER 22 Ca 0.05 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1sq3 h SER 22 Cb 0.44 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1sq3 h SER 22 CO 0.03 0.95 0.29 0.00 -1.14 0.00 0.00 176.83 176.96 1sq3 h ALA 23 N 0.89 0.78 -0.24 3.77 0.00 -1.06 -0.99 119.26 122.41 1sq3 h ALA 23 Ca 0.12 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1sq3 h ALA 23 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sq3 h ALA 23 CO 0.03 -0.07 -0.51 -0.92 0.00 0.00 0.00 179.25 177.78 1sq3 h TYR 24 N 0.54 0.85 -0.07 0.00 3.20 -0.56 -0.22 116.97 120.71 1sq3 h TYR 24 Ca 0.28 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1sq3 h TYR 24 Cb 0.23 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1sq3 h TYR 24 CO -0.11 1.06 0.01 1.25 -1.64 0.00 0.00 178.16 178.72 1sq3 h LEU 25 N 0.54 -0.01 -2.19 2.82 5.85 -0.71 0.75 115.31 122.36 1sq3 h LEU 25 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1sq3 h LEU 25 Cb 1.08 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1sq3 h LEU 25 CO 0.10 0.01 -0.05 1.88 -0.34 0.00 0.00 178.44 180.04 1sq3 h TYR 26 N 0.03 0.00 0.12 1.25 0.05 -0.28 -0.66 116.97 117.48 1sq3 h TYR 26 Ca 0.03 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.54 1sq3 h TYR 26 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1sq3 h TYR 26 CO -0.11 0.05 -1.26 1.25 -1.05 0.00 0.00 178.16 177.04 1sq3 h LEU 27 N 0.00 0.40 -2.31 3.88 5.85 0.28 -1.10 115.31 122.32 1sq3 h LEU 27 Ca -0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1sq3 h LEU 27 Cb 0.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sq3 h LEU 27 CO 0.01 1.35 0.00 -0.24 -0.34 0.00 0.00 178.44 179.22 1sq3 n SER 28 N -3.52 1.60 0.00 1.25 2.88 0.12 -2.31 113.62 113.66 1sq3 n SER 28 Ca -0.09 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1sq3 n SER 28 Cb 1.02 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.97 0.00 -0.23 -1.46 0.00 -0.42 -1.56 120.51 117.82 1sq3 n ALA 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1sq3 n ALA 30 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 0.17 0.00 0.87 -1.76 -0.93 113.55 112.81 1sq3 h SER 31 Ca 0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1sq3 h SER 31 Cb 0.00 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 1sq3 h SER 31 CO 0.00 0.87 -0.32 0.22 -0.53 0.00 0.00 176.83 177.07 1sq3 h TYR 32 N 0.91 -0.86 -0.33 2.24 3.20 -1.56 -0.69 116.97 119.87 1sq3 h TYR 32 Ca 0.21 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 1sq3 h TYR 32 Cb 0.27 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1sq3 h TYR 32 CO 0.02 -0.43 -0.21 0.74 -1.64 0.00 0.00 178.16 176.64 1sq3 h PHE 33 N -0.57 0.71 -1.00 -3.82 0.04 -1.80 0.26 116.94 110.77 1sq3 h PHE 33 Ca 0.02 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.66 1sq3 h PHE 33 Cb 0.58 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 1sq3 h PHE 33 CO -0.26 0.80 0.66 0.22 -0.60 0.00 0.00 178.31 179.13 1sq3 h ASP 34 N 0.56 1.12 0.94 2.17 1.82 -1.02 -0.15 116.42 121.86 1sq3 h ASP 34 Ca 0.08 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1sq3 h ASP 34 Cb 0.67 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1sq3 h ASP 34 CO 0.05 0.78 0.00 0.77 -1.61 0.00 0.00 179.24 179.23 1sq3 h SER 35 N 1.30 0.00 -0.40 2.28 4.64 0.11 -2.55 113.55 118.93 1sq3 h SER 35 Ca 0.38 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.53 1sq3 h SER 35 Cb -0.07 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.92 1sq3 h SER 35 CO -0.10 0.00 0.02 2.30 -0.87 0.00 0.00 176.83 178.18 1sq3 n ILE 36 N -3.01 2.56 -0.35 0.95 -5.35 -0.98 -4.96 119.36 108.21 1sq3 n ILE 36 Ca 0.00 -2.42 0.00 0.00 -0.27 0.00 0.00 62.75 60.06 1sq3 n ILE 36 Cb 0.28 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 -0.95 1.20 3.39 3.28 0.00 -0.96 -4.99 105.19 106.16 1sq3 n GLY 37 Ca 0.33 0.00 -0.45 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 5.86 0.17 0.99 1.43 -0.10 -4.82 118.68 122.22 1sq3 s LEU 38 Ca 0.00 -3.16 0.10 0.00 -1.03 0.00 0.00 54.13 50.05 1sq3 s LEU 38 Cb 0.00 -2.29 -0.11 0.00 0.03 0.00 0.00 46.19 43.82 1sq3 s LEU 38 CO 0.00 -0.54 1.30 0.11 0.23 0.00 0.00 176.35 177.45 1sq3 h LYS 39 N 7.15 0.00 0.01 1.70 1.79 -1.92 -0.37 116.57 124.93 1sq3 h LYS 39 Ca 0.21 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1sq3 h LYS 39 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1sq3 h LYS 39 CO 1.06 0.77 -0.00 0.78 -1.08 0.00 0.00 179.45 180.99 1sq3 h GLY 40 N 3.23 -0.01 0.73 3.86 0.00 -1.88 0.50 103.07 109.50 1sq3 h GLY 40 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.37 1sq3 h GLY 40 CO 0.10 -0.00 0.58 0.74 0.00 0.00 0.00 176.54 177.96 1sq3 h PHE 41 N -0.32 1.08 -0.18 5.60 -1.00 -1.64 -1.33 116.94 119.16 1sq3 h PHE 41 Ca -0.00 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1sq3 h PHE 41 Cb 0.31 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 1sq3 h PHE 41 CO 0.03 0.56 -0.15 0.77 -1.61 0.00 0.00 178.31 177.91 1sq3 h SER 42 N 1.07 -0.48 -0.26 2.17 0.02 -0.90 -2.67 113.55 112.50 1sq3 h SER 42 Ca 0.40 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1sq3 h SER 42 Cb 0.17 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 1sq3 h SER 42 CO -0.17 -0.19 -0.23 -1.13 -1.14 0.00 0.00 176.83 173.97 1sq3 h ASN 43 N -0.16 -0.73 0.00 3.07 -0.73 -0.14 0.25 115.58 117.13 1sq3 h ASN 43 Ca 0.11 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1sq3 h ASN 43 Cb 0.33 0.35 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1sq3 h ASN 43 CO -0.28 -0.26 0.00 1.87 -0.37 0.00 0.00 177.43 178.39 1sq3 n TRP 44 N -5.37 0.00 0.00 0.67 -0.00 -0.57 -0.58 117.44 111.59 1sq3 n TRP 44 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1sq3 n TRP 44 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.59 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 0.22 0.00 -0.16 5.87 5.12 0.86 -0.95 116.66 127.61 1sq3 n ARG 46 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1sq3 n ARG 46 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 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 1.21 -0.01 1.55 2.07 -1.09 -1.81 116.25 118.17 1sq3 h VAL 47 Ca 0.00 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1sq3 h VAL 47 Cb 0.00 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1sq3 h VAL 47 CO 0.00 0.24 -0.37 -0.61 0.02 0.00 0.00 177.57 176.85 1sq3 h GLN 48 N 0.62 0.03 -0.41 1.57 5.75 -1.29 -0.47 115.11 120.92 1sq3 h GLN 48 Ca 0.16 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1sq3 h GLN 48 Cb 0.20 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1sq3 h GLN 48 CO -0.01 0.40 -0.01 2.35 -2.65 0.00 0.00 178.83 178.90 1sq3 h TRP 49 N 0.03 0.80 -0.63 3.99 2.91 -1.76 0.15 115.95 121.43 1sq3 h TRP 49 Ca 0.00 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 59.85 1sq3 h TRP 49 Cb 0.67 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1sq3 h TRP 49 CO 0.00 0.81 0.29 1.96 -1.03 0.00 0.00 178.44 180.47 1sq3 h GLN 50 N 0.56 0.93 -0.54 2.65 4.20 -0.80 -2.06 115.11 120.05 1sq3 h GLN 50 Ca 0.11 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1sq3 h GLN 50 Cb 0.50 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1sq3 h GLN 50 CO 0.02 0.75 -0.07 1.49 -0.67 0.00 0.00 178.83 180.36 1sq3 h GLU 51 N 0.88 0.99 -0.25 1.46 4.81 -0.62 -2.80 114.58 119.06 1sq3 h GLU 51 Ca 0.22 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1sq3 h GLU 51 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1sq3 h GLU 51 CO -0.02 1.03 -0.39 0.93 -0.73 0.00 0.00 179.01 179.83 1sq3 h GLU 52 N 0.87 0.57 -1.09 1.92 4.39 -0.53 -0.45 114.58 120.26 1sq3 h GLU 52 Ca 0.14 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1sq3 h GLU 52 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1sq3 h GLU 52 CO 0.04 0.86 0.00 1.28 -1.16 0.00 0.00 179.01 180.04 1sq3 n LEU 53 N -4.04 0.00 0.00 1.33 4.32 -0.79 -1.30 117.00 116.52 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 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1sq3 n LEU 53 CO 0.45 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.03 1sq3 n HIS 55 N 0.74 0.00 0.55 -1.77 8.25 -0.18 -4.65 115.22 118.17 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 1.95 -0.48 -1.41 0.00 -0.42 -4.71 120.51 115.44 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 0.49 -0.77 0.00 0.00 4.81 -1.26 -4.65 118.16 116.77 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 0.21 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 -0.48 0.00 -0.21 5.64 -0.00 -1.26 -1.80 117.46 119.35 1sq3 n PHE 60 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 1sq3 n PHE 60 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 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 1.05 -0.52 -2.13 3.32 -1.97 -2.39 116.42 113.78 1sq3 h ASP 61 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1sq3 h ASP 61 Cb 0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1sq3 h ASP 61 CO 0.00 1.11 0.31 0.15 -1.72 0.00 0.00 179.24 179.09 1sq3 h PHE 62 N 0.98 0.69 -0.63 4.55 3.57 -1.76 -0.52 116.94 123.82 1sq3 h PHE 62 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1sq3 h PHE 62 Cb 0.57 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1sq3 h PHE 62 CO 0.04 0.47 0.35 0.28 -2.23 0.00 0.00 178.31 177.22 1sq3 h VAL 63 N 0.70 1.20 -0.42 1.41 2.07 -1.81 -1.22 116.25 118.17 1sq3 h VAL 63 Ca 0.19 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1sq3 h VAL 63 Cb -0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1sq3 h VAL 63 CO -0.04 0.22 0.04 -1.28 0.02 0.00 0.00 177.57 176.53 1sq3 h SER 64 N 0.85 0.70 1.05 0.57 0.87 -1.08 -0.22 113.55 116.30 1sq3 h SER 64 Ca 0.22 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1sq3 h SER 64 Cb 0.04 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1sq3 h SER 64 CO -0.04 0.81 0.00 -1.84 -0.53 0.00 0.00 176.83 175.23 1sq3 n GLU 65 N -4.46 0.23 -0.05 2.24 0.28 -0.23 -0.82 120.64 117.83 1sq3 n GLU 65 Ca -0.00 0.34 0.11 0.00 -0.16 0.00 0.00 57.16 57.45 1sq3 n GLU 65 Cb 0.27 -1.85 0.45 0.00 1.43 0.00 0.00 31.44 31.73 1sq3 n GLU 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sq3 n ARG 66 N -2.27 1.53 -1.11 3.44 5.12 -0.50 -4.91 116.66 117.96 1sq3 n ARG 66 Ca 0.04 -0.80 -0.04 0.00 -1.93 0.00 0.00 57.85 55.12 1sq3 n ARG 66 Cb 0.32 -1.39 -0.02 0.00 -1.16 0.00 0.00 32.46 30.21 1sq3 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sq3 n GLY 67 N 1.06 0.67 3.88 -0.13 0.00 0.00 -4.61 105.19 106.06 1sq3 n GLY 67 Ca 0.16 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.70 1.70 -0.27 -0.02 0.00 -0.13 -5.00 107.32 100.91 1sq3 s GLY 68 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 1sq3 s GLY 68 CO 0.00 0.06 0.39 -1.60 0.00 0.00 0.00 173.10 171.95 1sq3 s ARG 69 N -4.76 4.03 -0.10 2.90 6.06 -1.26 -4.17 118.95 121.65 1sq3 s ARG 69 Ca 0.53 0.09 -0.30 0.00 -2.50 0.00 0.00 55.73 53.55 1sq3 s ARG 69 Cb -0.11 -3.65 -0.02 0.00 0.06 0.00 0.00 34.95 31.23 1sq3 s ARG 69 CO 0.46 -0.28 1.10 0.08 -2.50 0.00 0.00 175.30 174.16 1sq3 s VAL 70 N 2.08 4.54 -0.17 7.11 1.01 -1.26 -4.94 120.40 128.78 1sq3 s VAL 70 Ca 0.16 1.84 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 1sq3 s VAL 70 Cb -0.16 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1sq3 s VAL 70 CO 0.10 -0.02 -0.10 -0.75 0.00 0.00 0.00 175.10 174.33 1sq3 s LYS 71 N 2.27 3.37 -0.09 2.72 2.47 -1.26 -5.12 119.74 124.10 1sq3 s LYS 71 Ca 0.51 -0.66 -0.13 0.00 -1.56 0.00 0.00 55.97 54.13 1sq3 s LYS 71 Cb -0.21 -2.78 -0.05 0.00 -1.46 0.00 0.00 37.83 33.33 1sq3 s LYS 71 CO 0.18 0.04 0.31 -0.51 0.16 0.00 0.00 175.35 175.53 1sq3 s LEU 72 N 0.82 4.36 0.38 5.43 1.43 -1.26 -4.87 118.68 124.97 1sq3 s LEU 72 Ca -0.03 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1sq3 s LEU 72 Cb -0.15 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1sq3 s LEU 72 CO 0.01 0.24 0.32 -0.31 0.23 0.00 0.00 176.35 176.83 1sq3 s TYR 73 N -0.38 2.78 0.54 0.29 2.02 -1.26 -5.09 117.35 116.25 1sq3 s TYR 73 Ca 0.19 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 56.28 1sq3 s TYR 73 Cb -0.14 -1.98 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 1sq3 s TYR 73 CO 0.07 0.05 0.81 0.00 -1.57 0.00 0.00 175.55 174.91 1sq3 n ALA 74 N -1.43 -0.34 -2.79 3.71 0.00 -1.26 -4.98 120.51 113.41 1sq3 n ALA 74 Ca 0.01 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1sq3 n ALA 74 Cb 0.61 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.53 4.90 0.56 0.00 1.01 -1.26 -5.06 120.40 119.03 1sq3 s VAL 75 Ca 0.70 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1sq3 s VAL 75 Cb -0.47 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1sq3 s VAL 75 CO 0.52 0.33 1.05 -0.70 0.00 0.00 0.00 175.10 176.29 1sq3 s GLU 76 N 1.38 3.51 0.03 2.72 2.56 -1.26 -4.94 118.70 122.71 1sq3 s GLU 76 Ca 0.06 1.23 -0.31 0.00 0.00 0.00 0.00 54.97 55.95 1sq3 s GLU 76 Cb -0.15 -2.06 -0.10 0.00 2.00 0.00 0.00 34.13 33.83 1sq3 s GLU 76 CO 0.06 -0.65 1.95 -1.91 -0.56 0.00 0.00 175.26 174.15 1sq3 n GLU 77 N -1.68 2.78 -1.71 4.30 2.13 -1.26 -4.98 120.64 120.21 1sq3 n GLU 77 Ca 0.09 1.02 -0.31 0.00 0.66 0.00 0.00 57.16 58.62 1sq3 n GLU 77 Cb 0.53 -2.95 0.04 0.00 0.27 0.00 0.00 31.44 29.33 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 4.27 3.01 1.06 5.31 0.04 -1.26 -5.05 135.00 142.37 1sq3 s PRO 78 Ca 0.89 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1sq3 s PRO 78 Cb -0.47 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.28 1sq3 s PRO 78 CO 0.43 -1.00 1.06 -0.35 0.04 0.00 0.00 177.00 177.18 1sq3 n PRO 79 N -3.04 -1.56 0.00 0.56 -0.04 -1.26 -5.00 135.00 124.67 1sq3 n PRO 79 Ca 0.07 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1sq3 n PRO 79 Cb 0.55 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1sq3 n PRO 79 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sq3 n SER 80 N -4.59 0.00 -4.04 3.54 3.41 -1.26 -4.84 113.62 105.83 1sq3 n SER 80 Ca 0.07 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.54 1sq3 n SER 80 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.00 0.54 0.12 4.33 0.41 -1.26 -4.69 118.70 118.14 1sq3 s GLU 81 Ca 0.00 -0.62 0.05 0.00 -0.41 0.00 0.00 54.97 53.99 1sq3 s GLU 81 Cb 0.00 -0.38 -0.04 0.00 -1.78 0.00 0.00 34.13 31.93 1sq3 s GLU 81 CO 0.00 0.08 -0.12 -1.58 -0.49 0.00 0.00 175.26 173.15 1sq3 s TRP 82 N -1.02 1.28 0.39 1.61 0.51 -1.26 -5.03 118.94 115.41 1sq3 s TRP 82 Ca -0.06 -0.60 0.31 0.00 -2.12 0.00 0.00 56.10 53.63 1sq3 s TRP 82 Cb -0.08 -0.68 1.55 0.00 -0.81 0.00 0.00 33.47 33.46 1sq3 s TRP 82 CO 0.00 0.09 2.09 -0.44 -0.51 0.00 0.00 176.95 178.19 1sq3 h ASP 83 N 3.50 0.00 -4.67 2.95 5.19 -2.01 -3.47 116.42 117.91 1sq3 h ASP 83 Ca -0.39 0.00 0.29 0.00 -0.62 0.00 0.00 57.03 56.31 1sq3 h ASP 83 Cb 1.19 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.53 1sq3 h ASP 83 CO 0.52 0.09 0.84 -0.94 -3.12 0.00 0.00 179.24 176.63 1sq3 s SER 84 N -5.95 -0.10 0.26 6.45 1.04 -1.26 -4.97 113.70 109.17 1sq3 s SER 84 Ca -0.02 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 1sq3 s SER 84 Cb 0.12 0.13 0.51 0.00 0.10 0.00 0.00 66.02 66.88 1sq3 s SER 84 CO 0.56 -0.22 1.62 -0.65 0.98 0.00 0.00 173.24 175.53 1sq3 h PRO 85 N 2.00 0.09 -0.45 4.02 0.11 -1.99 0.18 132.00 135.96 1sq3 h PRO 85 Ca -0.15 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.99 1sq3 h PRO 85 Cb 1.17 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1sq3 h PRO 85 CO 0.24 0.06 0.23 1.25 -0.21 0.00 0.00 178.00 179.57 1sq3 h LEU 86 N 0.10 0.34 -0.51 2.35 5.85 -1.95 -1.43 115.31 120.06 1sq3 h LEU 86 Ca 0.46 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 59.04 1sq3 h LEU 86 Cb 0.84 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1sq3 h LEU 86 CO -0.72 0.24 -0.57 0.00 -0.34 0.00 0.00 178.44 177.06 1sq3 h ALA 87 N 1.24 0.69 -0.34 1.25 0.00 -1.48 0.74 119.26 121.37 1sq3 h ALA 87 Ca 0.20 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1sq3 h ALA 87 Cb 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1sq3 h ALA 87 CO -0.13 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 1sq3 h ALA 88 N 0.97 0.24 0.00 0.00 0.00 -0.38 -0.45 119.26 119.64 1sq3 h ALA 88 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1sq3 h ALA 88 Cb 1.11 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1sq3 h ALA 88 CO 0.11 -0.45 -0.32 0.74 0.00 0.00 0.00 179.25 179.32 1sq3 h PHE 89 N 0.02 0.00 -0.26 0.00 0.04 -0.91 -0.54 116.94 115.28 1sq3 h PHE 89 Ca 0.16 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1sq3 h PHE 89 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1sq3 h PHE 89 CO -0.30 0.32 -0.25 0.93 -0.60 0.00 0.00 178.31 178.41 1sq3 h GLU 90 N 0.00 0.50 -0.27 1.51 5.08 -0.48 -0.64 114.58 120.29 1sq3 h GLU 90 Ca -0.00 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 1sq3 h GLU 90 Cb 1.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sq3 h GLU 90 CO 0.04 0.72 -0.58 1.25 -1.00 0.00 0.00 179.01 179.44 1sq3 h HIS 91 N 0.44 1.09 -0.43 4.33 2.76 -0.20 -2.17 115.15 120.98 1sq3 h HIS 91 Ca 0.06 -0.41 0.05 0.00 -2.20 0.00 0.00 60.37 57.88 1sq3 h HIS 91 Cb 0.68 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 1sq3 h HIS 91 CO 0.02 1.24 0.15 0.28 -1.30 0.00 0.00 177.93 178.32 1sq3 h VAL 92 N 0.64 0.87 -0.62 5.26 2.07 -0.91 0.75 116.25 124.31 1sq3 h VAL 92 Ca 0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1sq3 h VAL 92 Cb 1.19 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1sq3 h VAL 92 CO 0.13 0.06 0.28 0.22 0.02 0.00 0.00 177.57 178.28 1sq3 h TYR 93 N 0.32 0.91 -0.05 1.57 3.20 -0.83 -1.12 116.97 120.97 1sq3 h TYR 93 Ca 0.20 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.82 1sq3 h TYR 93 Cb 0.19 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1sq3 h TYR 93 CO -0.15 0.70 -0.81 1.49 -1.64 0.00 0.00 178.16 177.75 1sq3 h GLU 94 N 0.86 0.42 -0.42 1.82 4.57 -0.98 -1.46 114.58 119.38 1sq3 h GLU 94 Ca 0.21 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 1sq3 h GLU 94 Cb 0.15 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1sq3 h GLU 94 CO -0.02 1.03 -0.08 1.25 -1.18 0.00 0.00 179.01 180.01 1sq3 h HIS 95 N 0.27 0.79 -0.16 0.92 2.76 -0.62 -2.21 115.15 116.90 1sq3 h HIS 95 Ca -0.05 -0.13 -0.16 0.00 -2.20 0.00 0.00 60.37 57.83 1sq3 h HIS 95 Cb 1.41 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1sq3 h HIS 95 CO 0.05 0.78 -0.56 0.93 -1.30 0.00 0.00 177.93 177.84 1sq3 h GLU 96 N 0.67 0.49 -0.37 5.26 4.39 -0.83 -1.68 114.58 122.51 1sq3 h GLU 96 Ca 0.12 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1sq3 h GLU 96 Cb 0.53 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1sq3 h GLU 96 CO 0.03 0.92 0.13 0.28 -1.16 0.00 0.00 179.01 179.21 1sq3 h VAL 97 N 0.38 1.16 -0.07 3.13 2.07 -0.95 -0.49 116.25 121.48 1sq3 h VAL 97 Ca 0.01 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1sq3 h VAL 97 Cb 1.09 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1sq3 h VAL 97 CO 0.10 0.19 -0.22 -1.13 0.02 0.00 0.00 177.57 176.53 1sq3 h ASN 98 N 0.53 0.31 -0.73 0.57 -1.24 -1.05 -1.66 115.58 112.30 1sq3 h ASN 98 Ca 0.13 -0.62 0.15 0.00 0.71 0.00 0.00 56.30 56.67 1sq3 h ASN 98 Cb 0.15 -0.09 -0.10 0.00 0.73 0.00 0.00 38.32 39.00 1sq3 h ASN 98 CO -0.01 0.87 0.22 0.58 -1.29 0.00 0.00 177.43 177.81 1sq3 h VAL 99 N -0.23 0.58 -0.13 2.57 2.07 -1.04 0.33 116.25 120.39 1sq3 h VAL 99 Ca -0.01 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1sq3 h VAL 99 Cb 0.85 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1sq3 h VAL 99 CO 0.05 0.06 -0.03 0.74 0.02 0.00 0.00 177.57 178.41 1sq3 h THR 100 N 0.33 0.88 -0.97 2.57 2.02 -0.87 0.09 112.91 116.97 1sq3 h THR 100 Ca 0.41 -0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.76 1sq3 h THR 100 Cb 0.67 0.87 -0.10 0.00 -1.74 0.00 0.00 68.15 67.84 1sq3 h THR 100 CO -0.46 0.00 0.57 0.50 0.37 0.00 0.00 175.52 176.50 1sq3 h LYS 101 N 0.01 0.71 -0.16 6.66 3.64 -0.23 0.86 116.57 128.05 1sq3 h LYS 101 Ca 0.06 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1sq3 h LYS 101 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1sq3 h LYS 101 CO -0.13 0.47 -0.54 -0.09 -2.27 0.00 0.00 179.45 176.90 1sq3 h ARG 102 N 0.73 0.48 -0.30 1.90 1.12 0.50 -2.39 114.38 116.42 1sq3 h ARG 102 Ca 0.55 -0.30 -0.07 0.00 -1.11 0.00 0.00 59.98 59.06 1sq3 h ARG 102 Cb 0.83 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1sq3 h ARG 102 CO -0.38 0.89 -0.06 0.82 -3.11 0.00 0.00 179.97 178.13 1sq3 h ILE 103 N 0.37 1.28 -0.77 1.20 1.08 0.30 -2.36 117.51 118.61 1sq3 h ILE 103 Ca 0.01 -1.09 0.14 0.00 -0.39 0.00 0.00 64.86 63.53 1sq3 h ILE 103 Cb 1.06 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 36.13 1sq3 h ILE 103 CO 0.10 0.35 0.51 0.45 -0.69 0.00 0.00 178.15 178.87 1sq3 h HIS 104 N 0.35 0.54 -0.27 1.37 3.86 -0.78 -1.11 115.15 119.11 1sq3 h HIS 104 Ca 0.08 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1sq3 h HIS 104 Cb 0.55 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 1sq3 h HIS 104 CO 0.05 0.21 -0.32 0.93 0.86 0.00 0.00 177.93 179.66 1sq3 h GLU 105 N 0.47 0.70 -0.69 2.45 5.08 -1.06 -2.29 114.58 119.23 1sq3 h GLU 105 Ca 0.38 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1sq3 h GLU 105 Cb 0.80 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1sq3 h GLU 105 CO -0.13 1.00 0.31 -0.07 -1.00 0.00 0.00 179.01 179.12 1sq3 h LEU 106 N 0.43 0.91 -0.20 1.33 3.38 -0.85 -2.72 115.31 117.60 1sq3 h LEU 106 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sq3 h LEU 106 Cb 0.90 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1sq3 h LEU 106 CO 0.08 0.79 0.11 0.58 0.09 0.00 0.00 178.44 180.08 1sq3 h VAL 107 N 0.99 1.11 0.00 1.22 2.07 -0.97 -0.23 116.25 120.43 1sq3 h VAL 107 Ca 0.24 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1sq3 h VAL 107 Cb 0.14 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1sq3 h VAL 107 CO -0.03 0.10 0.00 1.21 0.02 0.00 0.00 177.57 178.88 1sq3 n GLU 108 N -4.89 0.30 -0.58 1.57 4.07 -0.89 -4.66 120.64 115.57 1sq3 n GLU 108 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1sq3 n GLU 108 Cb 0.07 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 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 0.98 -0.10 0.00 4.31 0.00 -0.10 -4.62 120.51 120.98 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 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1sq3 n ALA 110 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sq3 n GLN 112 N -0.32 0.00 -0.01 0.00 7.27 -1.26 -0.80 117.38 122.26 1sq3 n GLN 112 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.20 1sq3 n GLN 112 Cb 0.05 0.00 0.72 0.00 2.41 0.00 0.00 30.24 33.42 1sq3 n GLN 112 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1sq3 n GLU 113 N 0.00 1.15 -4.08 3.69 1.02 -1.26 -4.92 120.64 116.24 1sq3 n GLU 113 Ca 0.00 -0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 56.59 1sq3 n GLU 113 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.66 -3.77 -3.18 3.49 5.02 -0.77 -4.89 118.16 113.40 1sq3 n LYS 114 Ca 0.20 0.44 -0.45 0.00 -2.02 0.00 0.00 58.31 56.48 1sq3 n LYS 114 Cb 0.15 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.78 5.48 0.25 4.39 2.03 0.02 -4.84 116.55 121.11 1sq3 n ASP 115 Ca -0.03 -3.05 0.11 0.00 0.52 0.00 0.00 54.79 52.35 1sq3 n ASP 115 Cb 0.55 -1.43 0.64 0.00 -0.72 0.00 0.00 41.12 40.15 1sq3 n ASP 115 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1sq3 h PHE 116 N 6.69 0.00 -0.43 -0.67 0.04 -1.90 -1.57 116.94 119.09 1sq3 h PHE 116 Ca 0.23 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.89 1sq3 h PHE 116 Cb 0.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1sq3 h PHE 116 CO 0.88 0.17 -0.16 0.00 -0.60 0.00 0.00 178.31 178.60 1sq3 h ALA 117 N 1.83 0.60 -0.02 2.45 0.00 -1.97 -1.07 119.26 121.08 1sq3 h ALA 117 Ca -0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1sq3 h ALA 117 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1sq3 h ALA 117 CO 0.02 0.53 -0.84 1.15 0.00 0.00 0.00 179.25 180.11 1sq3 h THR 118 N 0.69 1.44 0.18 0.00 2.02 -1.86 -1.25 112.91 114.13 1sq3 h THR 118 Ca 0.10 -2.43 0.01 0.00 0.77 0.00 0.00 66.41 64.87 1sq3 h THR 118 Cb 0.71 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1sq3 h THR 118 CO 0.05 0.72 -0.29 0.22 0.37 0.00 0.00 175.52 176.59 1sq3 h TYR 119 N 0.18 -0.80 -0.60 3.16 3.20 -1.06 -0.95 116.97 120.11 1sq3 h TYR 119 Ca -0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1sq3 h TYR 119 Cb 1.45 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 40.02 1sq3 h TYR 119 CO 0.04 -0.41 0.31 -0.91 -1.64 0.00 0.00 178.16 175.55 1sq3 h ASN 120 N -0.55 0.74 -0.40 -2.11 -0.26 -1.09 -2.07 115.58 109.85 1sq3 h ASN 120 Ca 0.02 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1sq3 h ASN 120 Cb 0.55 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1sq3 h ASN 120 CO -0.14 0.61 0.14 0.15 -1.06 0.00 0.00 177.43 177.14 1sq3 h PHE 121 N 0.84 0.63 0.00 1.19 3.57 -0.99 -2.99 116.94 119.18 1sq3 h PHE 121 Ca 0.21 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1sq3 h PHE 121 Cb 0.05 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1sq3 h PHE 121 CO 0.01 0.57 0.00 -0.07 -2.23 0.00 0.00 178.31 176.59 1sq3 h LEU 122 N 0.51 0.00 -1.86 0.59 3.38 -0.48 -2.64 115.31 114.81 1sq3 h LEU 122 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1sq3 h LEU 122 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sq3 h LEU 122 CO -0.01 0.00 -0.12 1.56 0.09 0.00 0.00 178.44 179.96 1sq3 h GLN 123 N 0.00 0.00 -0.61 1.13 1.08 -1.32 0.14 115.11 115.52 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 0.35 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1sq3 h GLN 123 CO 0.00 0.12 0.40 2.35 -0.95 0.00 0.00 178.83 180.75 1sq3 h TRP 124 N 0.00 0.75 0.00 2.96 7.01 -1.63 -1.92 115.95 123.12 1sq3 h TRP 124 Ca -0.00 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.92 1sq3 h TRP 124 Cb 0.25 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1sq3 h TRP 124 CO 0.00 0.46 -0.46 1.88 -2.79 0.00 0.00 178.44 177.53 1sq3 h TYR 125 N 0.80 0.00 -0.21 2.65 -1.99 -0.94 -1.01 116.97 116.28 1sq3 h TYR 125 Ca 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 1sq3 h TYR 125 Cb -0.05 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1sq3 h TYR 125 CO -0.04 0.46 0.07 0.28 -0.00 0.00 0.00 178.16 178.92 1sq3 h VAL 126 N 0.00 1.19 -0.37 -2.88 2.07 -0.95 -0.93 116.25 114.38 1sq3 h VAL 126 Ca -0.00 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1sq3 h VAL 126 Cb 0.87 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1sq3 h VAL 126 CO 0.06 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.78 1sq3 h ALA 127 N 0.89 0.50 -0.63 1.67 0.00 -1.26 -2.85 119.26 117.58 1sq3 h ALA 127 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sq3 h ALA 127 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1sq3 h ALA 127 CO -0.00 0.32 0.27 1.49 0.00 0.00 0.00 179.25 181.33 1sq3 h GLU 128 N 0.49 0.90 -0.64 0.00 4.57 -1.07 -0.99 114.58 117.84 1sq3 h GLU 128 Ca 0.10 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1sq3 h GLU 128 Cb 0.55 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1sq3 h GLU 128 CO 0.03 0.73 0.14 1.96 -1.18 0.00 0.00 179.01 180.69 1sq3 h GLN 129 N 0.90 1.01 -5.53 1.92 1.08 -1.07 0.54 115.11 113.96 1sq3 h GLN 129 Ca 0.22 -0.23 -0.46 0.00 -1.45 0.00 0.00 58.65 56.72 1sq3 h GLN 129 Cb 0.14 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1sq3 h GLN 129 CO -0.02 0.90 1.65 0.28 -0.95 0.00 0.00 178.83 180.69 1sq3 n VAL 130 N -4.24 -0.08 -1.09 -0.54 0.31 -0.38 -0.81 118.33 111.50 1sq3 n VAL 130 Ca 0.05 -0.70 0.11 0.00 -0.01 0.00 0.00 64.34 63.79 1sq3 n VAL 130 Cb 0.25 -2.50 -0.06 0.00 -0.91 0.00 0.00 33.84 30.62 1sq3 n VAL 130 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sq3 n GLU 131 N 8.94 -2.58 -0.26 5.55 -0.58 -1.26 -2.62 120.64 127.83 1sq3 n GLU 131 Ca 0.41 2.10 0.00 0.00 -0.42 0.00 0.00 57.16 59.25 1sq3 n GLU 131 Cb 0.48 -2.93 0.13 0.00 -0.57 0.00 0.00 31.44 28.55 1sq3 n GLU 131 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1sq3 h GLU 132 N -0.90 0.74 0.16 3.49 4.39 0.11 -0.21 114.58 122.36 1sq3 h GLU 132 Ca -0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1sq3 h GLU 132 Cb 0.99 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1sq3 h GLU 132 CO 0.05 0.49 -0.08 0.93 -1.16 0.00 0.00 179.01 179.24 1sq3 h GLU 133 N 0.77 -0.21 -0.71 2.33 5.08 -0.92 -1.89 114.58 119.02 1sq3 h GLU 133 Ca 0.34 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 1sq3 h GLU 133 Cb 0.23 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1sq3 h GLU 133 CO -0.20 0.03 0.33 0.00 -1.00 0.00 0.00 179.01 178.17 1sq3 h ALA 134 N 0.38 0.97 -0.50 3.43 0.00 -1.21 0.79 119.26 123.12 1sq3 h ALA 134 Ca -0.02 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1sq3 h ALA 134 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sq3 h ALA 134 CO 0.04 -0.09 -0.10 0.77 0.00 0.00 0.00 179.25 179.87 1sq3 h SER 135 N 0.56 0.95 -0.25 0.00 0.02 -1.02 0.07 113.55 113.87 1sq3 h SER 135 Ca 0.36 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1sq3 h SER 135 Cb 0.41 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1sq3 h SER 135 CO -0.29 1.08 0.09 0.00 -1.14 0.00 0.00 176.83 176.57 1sq3 h ALA 136 N 0.91 0.33 -0.27 3.77 0.00 -0.81 -3.08 119.26 120.11 1sq3 h ALA 136 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sq3 h ALA 136 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sq3 h ALA 136 CO 0.04 -0.06 0.10 1.25 0.00 0.00 0.00 179.25 180.58 1sq3 h LEU 137 N 0.25 0.38 -1.25 0.00 5.85 -0.68 -2.37 115.31 117.49 1sq3 h LEU 137 Ca 0.08 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.77 1sq3 h LEU 137 Cb 0.21 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1sq3 h LEU 137 CO -0.00 0.46 0.59 -0.78 -0.34 0.00 0.00 178.44 178.36 1sq3 h ASP 138 N 0.27 0.68 0.55 1.25 3.58 -0.92 0.25 116.42 122.08 1sq3 h ASP 138 Ca 0.09 0.05 -0.29 0.00 0.42 0.00 0.00 57.03 57.29 1sq3 h ASP 138 Cb 0.21 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.18 1sq3 h ASP 138 CO -0.01 0.33 -1.31 0.40 -2.88 0.00 0.00 179.24 175.78 1sq3 h ILE 139 N 0.72 1.44 0.09 2.25 2.04 -1.44 -1.60 117.51 121.01 1sq3 h ILE 139 Ca 0.47 -2.98 0.02 0.00 1.00 0.00 0.00 64.86 63.37 1sq3 h ILE 139 Cb 0.74 2.96 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 1sq3 h ILE 139 CO -0.23 0.87 -0.22 0.58 0.00 0.00 0.00 178.15 179.15 1sq3 h VAL 140 N 0.09 0.49 -0.60 1.67 2.07 -0.82 0.83 116.25 119.98 1sq3 h VAL 140 Ca -0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1sq3 h VAL 140 Cb 2.02 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1sq3 h VAL 140 CO 0.22 0.00 0.32 -0.33 0.02 0.00 0.00 177.57 177.80 1sq3 h GLU 141 N -0.41 0.59 -0.95 1.57 5.08 -0.51 0.78 114.58 120.73 1sq3 h GLU 141 Ca 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sq3 h GLU 141 Cb 0.44 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1sq3 h GLU 141 CO -0.14 0.39 0.58 0.87 -1.00 0.00 0.00 179.01 179.71 1sq3 h LYS 142 N 0.60 1.28 -0.52 2.33 1.57 -1.14 -2.41 116.57 118.28 1sq3 h LYS 142 Ca 0.27 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1sq3 h LYS 142 Cb 0.17 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1sq3 h LYS 142 CO -0.18 0.88 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.42 1sq3 h LEU 143 N 1.30 0.95 -0.20 2.94 3.38 0.12 -1.06 115.31 122.74 1sq3 h LEU 143 Ca 0.34 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1sq3 h LEU 143 Cb -0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.35 1sq3 h LEU 143 CO -0.07 1.06 -0.22 0.03 0.09 0.00 0.00 178.44 179.34 1sq3 h ARG 144 N 0.86 -0.23 -0.66 1.13 3.08 -0.42 -1.83 114.38 116.30 1sq3 h ARG 144 Ca 0.14 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1sq3 h ARG 144 Cb 0.64 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1sq3 h ARG 144 CO 0.04 -0.15 0.35 -0.07 -1.07 0.00 0.00 179.97 179.07 1sq3 h LEU 145 N -0.24 0.81 -0.70 3.04 3.38 -1.33 -2.70 115.31 117.57 1sq3 h LEU 145 Ca 0.12 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1sq3 h LEU 145 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1sq3 h LEU 145 CO -0.34 0.67 -0.17 0.40 0.09 0.00 0.00 178.44 179.09 1sq3 h ILE 146 N 0.92 1.27 0.00 1.22 2.04 -0.76 -3.47 117.51 118.72 1sq3 h ILE 146 Ca 0.23 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1sq3 h ILE 146 Cb 0.04 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1sq3 h ILE 146 CO -0.04 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.16 1sq3 n GLY 147 N -0.30 2.79 0.87 5.37 0.00 -0.73 -1.67 105.19 111.52 1sq3 n GLY 147 Ca 0.01 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 2.19 -1.91 1.61 -0.58 -1.26 -4.87 120.64 129.81 1sq3 n GLU 148 Ca 0.00 -1.74 -0.43 0.00 -0.42 0.00 0.00 57.16 54.57 1sq3 n GLU 148 Cb 0.00 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1sq3 n GLU 148 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1sq3 s ASP 149 N -1.89 5.87 0.07 1.62 -1.08 -0.67 -4.89 116.67 115.70 1sq3 s ASP 149 Ca 0.32 1.52 0.06 0.00 -0.52 0.00 0.00 52.55 53.93 1sq3 s ASP 149 Cb 0.21 -2.52 -0.23 0.00 -1.46 0.00 0.00 42.92 38.91 1sq3 s ASP 149 CO 0.31 -1.69 1.09 0.11 0.52 0.00 0.00 175.17 175.51 1sq3 h LYS 150 N 13.05 0.05 -0.46 4.34 1.57 -1.89 -1.67 116.57 131.56 1sq3 h LYS 150 Ca -0.36 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1sq3 h LYS 150 Cb 1.18 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1sq3 h LYS 150 CO 1.01 0.92 0.09 -0.09 -0.57 0.00 0.00 179.45 180.80 1sq3 h ARG 151 N 0.01 0.21 -0.02 3.15 2.43 -1.99 0.84 114.38 119.02 1sq3 h ARG 151 Ca -0.10 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.86 1sq3 h ARG 151 Cb 1.86 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1sq3 h ARG 151 CO 0.13 0.14 -0.84 0.00 -1.51 0.00 0.00 179.97 177.89 1sq3 h ALA 152 N 1.35 0.52 -0.24 2.80 0.00 -1.93 0.93 119.26 122.69 1sq3 h ALA 152 Ca 0.23 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1sq3 h ALA 152 Cb 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1sq3 h ALA 152 CO -0.30 0.84 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 1sq3 h LEU 153 N 0.19 -0.21 -0.91 0.00 5.85 -1.08 -2.30 115.31 116.85 1sq3 h LEU 153 Ca -0.05 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1sq3 h LEU 153 Cb 1.44 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1sq3 h LEU 153 CO 0.14 -0.07 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.77 1sq3 h LEU 154 N 0.01 0.43 -1.32 2.25 3.38 -0.47 -0.76 115.31 118.82 1sq3 h LEU 154 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1sq3 h LEU 154 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sq3 h LEU 154 CO -0.24 0.73 -0.02 0.15 0.09 0.00 0.00 178.44 179.14 1sq3 h PHE 155 N 0.36 0.44 0.09 1.13 3.04 -0.65 -1.46 116.94 119.90 1sq3 h PHE 155 Ca 0.05 -0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.68 1sq3 h PHE 155 Cb 0.74 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1sq3 h PHE 155 CO 0.02 0.46 -1.30 1.25 -2.02 0.00 0.00 178.31 176.72 1sq3 h LEU 156 N 0.41 0.31 -1.26 0.59 5.85 -1.08 -2.43 115.31 117.69 1sq3 h LEU 156 Ca 0.09 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1sq3 h LEU 156 Cb 0.31 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1sq3 h LEU 156 CO 0.01 1.29 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.62 1sq3 h ASP 157 N 0.05 0.46 0.08 1.25 3.58 -0.85 -0.87 116.42 120.12 1sq3 h ASP 157 Ca -0.15 -0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.02 1sq3 h ASP 157 Cb 1.95 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.88 1sq3 h ASP 157 CO 0.17 0.53 -0.73 0.50 -2.88 0.00 0.00 179.24 176.83 1sq3 h LYS 158 N 0.47 0.57 -0.38 0.28 3.64 -1.13 -1.60 116.57 118.41 1sq3 h LYS 158 Ca 0.10 -0.46 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1sq3 h LYS 158 Cb 0.32 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1sq3 h LYS 158 CO 0.01 1.08 0.20 1.49 -2.27 0.00 0.00 179.45 179.96 1sq3 h GLU 159 N 0.39 0.40 0.00 1.90 4.81 -0.96 -0.78 114.58 120.34 1sq3 h GLU 159 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1sq3 h GLU 159 Cb 1.33 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1sq3 h GLU 159 CO 0.14 0.26 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.55 1sq3 h LEU 160 N 0.41 0.00 -2.07 1.64 4.07 -1.01 -0.31 115.31 118.04 1sq3 h LEU 160 Ca 0.16 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.21 1sq3 h LEU 160 Cb 0.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1sq3 h LEU 160 CO -0.10 0.06 0.24 0.28 -1.08 0.00 0.00 178.44 177.84 1sq3 h SER 161 N 0.00 0.00 1.17 -0.43 0.02 -0.12 -3.12 113.55 111.07 1sq3 h SER 161 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sq3 h SER 161 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1sq3 h SER 161 CO 0.01 0.00 -0.04 0.18 -1.14 0.00 0.00 176.83 175.84 1sq3 n LEU 162 N -4.22 0.38 -4.77 5.07 4.32 -0.13 -4.90 117.00 112.75 1sq3 n LEU 162 Ca 0.04 0.50 -0.38 0.00 -0.02 0.00 0.00 56.01 56.16 1sq3 n LEU 162 Cb 0.40 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1sq3 n LEU 162 CO 0.33 -0.07 0.79 -0.60 -1.22 0.00 0.00 177.39 176.62 1sq3 s ARG 163 N -3.05 4.17 0.00 3.23 3.52 -1.18 -5.17 118.95 120.48 1sq3 s ARG 163 Ca 0.12 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 1sq3 s ARG 163 Cb 0.16 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1sq3 s ARG 163 CO 0.57 -0.18 0.13 1.04 -0.81 0.00 0.00 175.30 176.06