#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ow3 s LEU 40 N 0.00 3.24 0.46 2.45 1.02 -1.26 -4.93 118.68 119.66 1ow3 s LEU 40 Ca 0.00 1.73 0.16 0.00 0.02 0.00 0.00 54.13 56.04 1ow3 s LEU 40 Cb 0.00 -4.51 1.13 0.00 0.02 0.00 0.00 46.19 42.82 1ow3 s LEU 40 CO 0.00 -1.46 2.00 -0.65 0.02 0.00 0.00 176.35 176.26 1ow3 h PRO 41 N -0.40 0.28 -0.38 1.29 0.11 -1.98 -1.33 132.00 129.58 1ow3 h PRO 41 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ow3 h PRO 41 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ow3 h PRO 41 CO 0.56 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 1ow3 n ASN 42 N -4.46 4.60 -4.59 -2.05 4.13 -1.25 -5.03 115.26 106.62 1ow3 n ASN 42 Ca 0.08 -2.98 -0.52 0.00 1.68 0.00 0.00 54.58 52.84 1ow3 n ASN 42 Cb 0.38 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 37.96 1ow3 n ASN 42 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1ow3 n GLN 43 N -0.07 1.09 -0.03 3.52 -0.06 -0.50 -4.41 117.38 116.91 1ow3 n GLN 43 Ca 0.24 0.39 -0.04 0.00 -2.00 0.00 0.00 57.00 55.59 1ow3 n GLN 43 Cb 1.01 -2.03 -0.04 0.00 -4.06 0.00 0.00 30.24 25.12 1ow3 n GLN 43 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1ow3 n GLN 44 N 2.45 2.25 -3.74 3.69 1.13 -1.26 -4.93 117.38 116.97 1ow3 n GLN 44 Ca 0.18 0.01 -0.35 0.00 -1.94 0.00 0.00 57.00 54.90 1ow3 n GLN 44 Cb 0.19 -1.15 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 1ow3 n GLN 44 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1ow3 s PHE 45 N -2.15 3.60 -0.50 1.08 0.40 -1.26 -4.39 117.98 114.76 1ow3 s PHE 45 Ca -0.05 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1ow3 s PHE 45 Cb 0.02 -2.02 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1ow3 s PHE 45 CO 0.23 0.63 0.00 0.41 0.70 0.00 0.00 175.22 177.19 1ow3 n GLY 46 N 1.28 0.74 3.29 4.36 0.00 -1.18 -5.03 105.19 108.65 1ow3 n GLY 46 Ca -0.12 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1ow3 n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ow3 s VAL 47 N -2.15 1.69 0.57 1.61 -7.23 -1.26 -4.58 120.40 109.04 1ow3 s VAL 47 Ca 0.00 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.34 1ow3 s VAL 47 Cb 0.00 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1ow3 s VAL 47 CO 0.00 -0.15 1.29 -0.94 -0.31 0.00 0.00 175.10 174.99 1ow3 s SER 48 N -2.11 5.23 0.47 4.85 1.04 -1.26 -4.62 113.70 117.29 1ow3 s SER 48 Ca 0.08 2.60 0.13 0.00 0.48 0.00 0.00 55.95 59.25 1ow3 s SER 48 Cb -0.09 -2.62 1.09 0.00 0.10 0.00 0.00 66.02 64.50 1ow3 s SER 48 CO 0.05 -1.58 2.09 -0.07 0.98 0.00 0.00 173.24 174.70 1ow3 h LEU 49 N 1.23 0.23 -0.41 2.42 3.38 -1.98 -1.88 115.31 118.30 1ow3 h LEU 49 Ca -0.51 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1ow3 h LEU 49 Cb 1.30 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ow3 h LEU 49 CO 0.56 0.16 0.06 1.56 0.09 0.00 0.00 178.44 180.87 1ow3 h GLN 50 N 0.27 0.69 -0.58 1.13 7.50 -1.98 -1.19 115.11 120.94 1ow3 h GLN 50 Ca 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.05 1ow3 h GLN 50 Cb 0.10 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 1ow3 h GLN 50 CO -0.02 0.73 0.28 1.25 -1.50 0.00 0.00 178.83 179.57 1ow3 h HIS 51 N 0.54 0.83 -0.44 2.96 -0.00 -1.74 -1.70 115.15 115.61 1ow3 h HIS 51 Ca 0.12 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1ow3 h HIS 51 Cb 0.38 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1ow3 h HIS 51 CO 0.03 0.64 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.46 1ow3 h LEU 52 N 0.79 0.73 -0.32 0.26 3.38 -1.21 -2.58 115.31 116.35 1ow3 h LEU 52 Ca 0.20 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1ow3 h LEU 52 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ow3 h LEU 52 CO -0.03 0.83 -0.29 -0.61 0.09 0.00 0.00 178.44 178.44 1ow3 h GLN 53 N 0.69 0.77 -0.85 1.13 4.15 -1.02 -3.02 115.11 116.96 1ow3 h GLN 53 Ca 0.13 -0.39 0.08 0.00 0.77 0.00 0.00 58.65 59.23 1ow3 h GLN 53 Cb 0.51 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1ow3 h GLN 53 CO 0.03 1.02 0.55 1.49 -1.93 0.00 0.00 178.83 179.99 1ow3 h GLU 54 N 0.54 0.85 0.00 1.69 4.22 -1.14 -0.57 114.58 120.17 1ow3 h GLU 54 Ca 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1ow3 h GLU 54 Cb 0.86 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ow3 h GLU 54 CO 0.07 0.56 -0.15 0.87 -2.18 0.00 0.00 179.01 178.19 1ow3 h LYS 55 N 0.88 0.00 -6.53 1.92 1.79 -1.34 -3.43 116.57 109.85 1ow3 h LYS 55 Ca 0.38 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.33 1ow3 h LYS 55 Cb 0.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1ow3 h LYS 55 CO -0.15 0.15 0.39 1.21 -1.08 0.00 0.00 179.45 179.97 1ow3 s ASN 56 N -6.06 7.41 0.21 0.86 3.84 -0.22 -4.96 114.94 116.02 1ow3 s ASN 56 Ca -0.01 1.80 -0.09 0.00 0.21 0.00 0.00 52.86 54.77 1ow3 s ASN 56 Cb 0.11 -2.58 0.21 0.00 -0.55 0.00 0.00 41.25 38.44 1ow3 s ASN 56 CO 0.60 -0.16 1.85 1.55 -2.79 0.00 0.00 177.10 178.15 1ow3 h PRO 57 N 5.93 0.88 -0.48 0.43 0.13 -1.84 -2.23 132.00 134.82 1ow3 h PRO 57 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ow3 h PRO 57 Cb 1.21 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ow3 h PRO 57 CO 0.73 0.58 0.00 0.39 -0.23 0.00 0.00 178.00 179.47 1ow3 n GLU 58 N -4.64 2.20 -3.84 0.86 1.02 -1.26 -4.93 120.64 110.06 1ow3 n GLU 58 Ca 0.08 -1.86 -0.26 0.00 -0.02 0.00 0.00 57.16 55.10 1ow3 n GLU 58 Cb 0.09 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1ow3 n GLU 58 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ow3 n GLN 59 N 1.02 -4.91 -1.75 3.49 1.13 -0.84 -4.88 117.38 110.64 1ow3 n GLN 59 Ca 0.18 0.58 -0.42 0.00 -1.94 0.00 0.00 57.00 55.39 1ow3 n GLN 59 Cb 0.45 -5.22 -0.03 0.00 0.11 0.00 0.00 30.24 25.55 1ow3 n GLN 59 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ow3 s GLU 60 N -6.34 4.14 0.20 -1.09 2.12 -1.26 -4.93 118.70 111.54 1ow3 s GLU 60 Ca 0.29 2.56 -0.08 0.00 0.36 0.00 0.00 54.97 58.11 1ow3 s GLU 60 Cb -0.15 -3.36 0.12 0.00 0.26 0.00 0.00 34.13 31.01 1ow3 s GLU 60 CO 0.83 -0.78 1.68 -1.35 -0.54 0.00 0.00 175.26 175.10 1ow3 h PRO 61 N 7.73 1.07 -5.46 4.30 0.11 -1.95 -3.43 132.00 134.38 1ow3 h PRO 61 Ca -0.44 -0.30 -0.61 0.00 0.11 0.00 0.00 66.00 64.75 1ow3 h PRO 61 Cb 1.21 -0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 1ow3 h PRO 61 CO 0.95 1.01 0.10 0.42 -0.21 0.00 0.00 178.00 180.26 1ow3 s ILE 62 N -5.12 5.02 0.76 4.15 -1.09 -1.26 -4.81 121.20 118.85 1ow3 s ILE 62 Ca -0.12 1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 59.24 1ow3 s ILE 62 Cb 0.14 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ow3 s ILE 62 CO 0.85 0.05 1.08 -2.16 -1.23 0.00 0.00 174.94 173.53 1ow3 s PRO 63 N 2.40 2.42 0.31 2.79 0.04 -1.26 -4.72 135.00 136.98 1ow3 s PRO 63 Ca 0.24 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.25 1ow3 s PRO 63 Cb -0.16 -1.93 0.56 0.00 0.04 0.00 0.00 34.50 33.01 1ow3 s PRO 63 CO 0.09 -1.46 1.91 0.97 0.04 0.00 0.00 177.00 178.55 1ow3 h ILE 64 N -0.99 1.05 -0.56 0.56 2.10 -1.97 -1.33 117.51 116.38 1ow3 h ILE 64 Ca -0.45 -0.34 -0.06 0.00 1.08 0.00 0.00 64.86 65.09 1ow3 h ILE 64 Cb 1.23 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.91 1ow3 h ILE 64 CO 0.55 0.18 0.10 0.58 -1.08 0.00 0.00 178.15 178.49 1ow3 h VAL 65 N 0.99 1.25 -0.27 2.19 2.07 -1.96 -0.88 116.25 119.65 1ow3 h VAL 65 Ca 0.39 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.79 1ow3 h VAL 65 Cb 0.23 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ow3 h VAL 65 CO -0.15 0.34 -0.55 -0.07 0.02 0.00 0.00 177.57 177.17 1ow3 h LEU 66 N 0.81 0.90 -0.12 2.57 3.38 -1.74 -1.98 115.31 119.12 1ow3 h LEU 66 Ca 0.17 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ow3 h LEU 66 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ow3 h LEU 66 CO 0.01 1.26 0.08 0.03 0.09 0.00 0.00 178.44 179.91 1ow3 h ARG 67 N 0.62 0.17 -0.22 1.13 3.08 -1.09 -2.40 114.38 115.67 1ow3 h ARG 67 Ca 0.01 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1ow3 h ARG 67 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1ow3 h ARG 67 CO 0.12 0.13 -0.42 0.93 -1.07 0.00 0.00 179.97 179.66 1ow3 h GLU 68 N 0.15 0.67 -0.26 0.04 5.08 -1.16 -1.74 114.58 117.36 1ow3 h GLU 68 Ca 0.05 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1ow3 h GLU 68 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ow3 h GLU 68 CO -0.01 1.04 -0.02 1.79 -1.00 0.00 0.00 179.01 180.82 1ow3 h THR 69 N 0.37 1.26 -0.57 1.13 1.35 -1.42 -2.00 112.91 113.03 1ow3 h THR 69 Ca 0.01 -0.96 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1ow3 h THR 69 Cb 1.02 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 1ow3 h THR 69 CO 0.09 0.30 0.35 0.58 -0.25 0.00 0.00 175.52 176.60 1ow3 h VAL 70 N 0.24 1.16 -0.70 6.82 2.07 -1.45 0.05 116.25 124.45 1ow3 h VAL 70 Ca 0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1ow3 h VAL 70 Cb 0.45 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ow3 h VAL 70 CO 0.02 0.17 0.27 0.00 0.02 0.00 0.00 177.57 178.04 1ow3 h ALA 71 N 1.18 0.91 -0.36 1.67 0.00 -1.27 0.37 119.26 121.77 1ow3 h ALA 71 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1ow3 h ALA 71 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ow3 h ALA 71 CO -0.04 0.55 -0.17 -0.92 0.00 0.00 0.00 179.25 178.67 1ow3 h TYR 72 N 1.01 0.86 -0.21 0.00 3.20 -1.08 -2.00 116.97 118.75 1ow3 h TYR 72 Ca 0.23 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1ow3 h TYR 72 Cb 0.23 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1ow3 h TYR 72 CO 0.02 0.94 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.19 1ow3 h LEU 73 N 0.54 0.37 -0.83 2.82 3.38 -0.76 -0.82 115.31 120.02 1ow3 h LEU 73 Ca 0.08 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1ow3 h LEU 73 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1ow3 h LEU 73 CO 0.05 0.60 -0.30 1.56 0.09 0.00 0.00 178.44 180.44 1ow3 h GLN 74 N 0.34 0.53 0.02 1.13 4.20 -0.70 -0.88 115.11 119.74 1ow3 h GLN 74 Ca 0.06 -0.22 -0.21 0.00 0.06 0.00 0.00 58.65 58.33 1ow3 h GLN 74 Cb 0.57 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1ow3 h GLN 74 CO 0.04 0.77 -0.98 0.00 -0.67 0.00 0.00 178.83 177.99 1ow3 h ALA 75 N 1.22 0.40 0.00 3.87 0.00 -0.93 -3.42 119.26 120.39 1ow3 h ALA 75 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1ow3 h ALA 75 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ow3 h ALA 75 CO 0.06 1.12 -0.51 0.72 0.00 0.00 0.00 179.25 180.64 1ow3 n HIS 76 N -3.46 0.00 0.07 0.00 8.25 -0.35 -4.90 115.22 114.83 1ow3 n HIS 76 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1ow3 n HIS 76 Cb 0.90 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.11 1ow3 n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ow3 n ALA 77 N -0.88 2.28 0.28 -1.41 0.00 -0.34 -4.67 120.51 115.77 1ow3 n ALA 77 Ca 0.00 -0.90 0.13 0.00 0.00 0.00 0.00 53.44 52.67 1ow3 n ALA 77 Cb 0.00 -0.35 0.82 0.00 0.00 0.00 0.00 19.45 19.92 1ow3 n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ow3 h LEU 78 N 1.78 0.00 -3.25 0.00 3.38 -1.81 -2.09 115.31 113.32 1ow3 h LEU 78 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ow3 h LEU 78 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1ow3 h LEU 78 CO 0.00 0.03 -0.00 0.35 0.09 0.00 0.00 178.44 178.91 1ow3 n THR 79 N -3.94 2.29 -3.09 0.22 -2.24 -1.26 -4.44 114.28 101.81 1ow3 n THR 79 Ca -0.03 -1.97 -0.41 0.00 -2.27 0.00 0.00 64.05 59.38 1ow3 n THR 79 Cb 0.12 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1ow3 n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ow3 s THR 80 N -2.87 4.94 0.16 4.28 2.01 -0.79 -4.46 115.64 118.91 1ow3 s THR 80 Ca 0.42 1.02 -0.33 0.00 0.31 0.00 0.00 61.69 63.11 1ow3 s THR 80 Cb 0.34 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 1ow3 s THR 80 CO 0.08 -0.08 1.64 1.21 -0.69 0.00 0.00 174.62 176.78 1ow3 n GLU 81 N 5.85 2.32 -1.34 4.92 2.13 -1.26 -2.39 120.64 130.86 1ow3 n GLU 81 Ca -0.00 0.84 -0.09 0.00 0.66 0.00 0.00 57.16 58.57 1ow3 n GLU 81 Cb 0.49 -2.63 -0.04 0.00 0.27 0.00 0.00 31.44 29.53 1ow3 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ow3 n GLY 82 N 3.63 0.97 3.73 8.31 0.00 -0.05 -4.91 105.19 116.88 1ow3 n GLY 82 Ca 0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1ow3 n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ow3 s ILE 83 N -2.34 2.08 0.00 -0.61 1.10 -1.01 -0.22 121.20 120.20 1ow3 s ILE 83 Ca 0.00 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.20 1ow3 s ILE 83 Cb 0.00 -3.04 0.00 0.00 0.15 0.00 0.00 42.46 39.57 1ow3 s ILE 83 CO 0.00 0.01 0.00 0.49 -2.11 0.00 0.00 174.94 173.33 1ow3 n PHE 84 N 3.26 0.00 -0.13 3.50 3.72 -1.26 -4.80 117.46 121.75 1ow3 n PHE 84 Ca 0.13 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.31 1ow3 n PHE 84 Cb 0.36 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.75 1ow3 n PHE 84 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ow3 n ARG 85 N -2.00 0.60 -2.01 -1.08 0.63 0.70 -4.89 116.66 108.61 1ow3 n ARG 85 Ca 0.00 0.19 -0.34 0.00 -0.92 0.00 0.00 57.85 56.78 1ow3 n ARG 85 Cb 0.00 -1.48 0.02 0.00 0.45 0.00 0.00 32.46 31.45 1ow3 n ARG 85 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1ow3 s ARG 86 N -2.50 3.11 0.65 -0.14 1.81 -0.39 -5.04 118.95 116.47 1ow3 s ARG 86 Ca -0.35 1.44 -0.08 0.00 -1.72 0.00 0.00 55.73 55.02 1ow3 s ARG 86 Cb 0.11 -1.99 0.03 0.00 -0.45 0.00 0.00 34.95 32.65 1ow3 s ARG 86 CO 0.53 -1.01 0.98 -1.12 -0.68 0.00 0.00 175.30 174.01 1ow3 s SER 87 N -2.31 5.31 0.44 0.23 0.01 -1.26 -4.88 113.70 111.25 1ow3 s SER 87 Ca 0.68 0.74 0.05 0.00 1.31 0.00 0.00 55.95 58.73 1ow3 s SER 87 Cb -0.21 -1.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 1ow3 s SER 87 CO 0.35 -1.30 0.04 0.00 0.41 0.00 0.00 173.24 172.74 1ow3 s ALA 88 N -3.16 3.51 0.03 1.44 0.00 -1.26 -4.84 121.76 117.48 1ow3 s ALA 88 Ca 0.57 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1ow3 s ALA 88 Cb -0.11 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1ow3 s ALA 88 CO 0.47 -0.11 1.22 1.21 0.00 0.00 0.00 175.76 178.55 1ow3 s ASN 89 N -3.79 7.05 0.20 0.00 3.84 -1.26 -4.94 114.94 116.03 1ow3 s ASN 89 Ca 0.27 1.98 -0.12 0.00 0.21 0.00 0.00 52.86 55.21 1ow3 s ASN 89 Cb 0.07 -2.57 0.24 0.00 -0.55 0.00 0.00 41.25 38.44 1ow3 s ASN 89 CO 0.14 -0.53 1.70 0.74 -2.79 0.00 0.00 177.10 176.37 1ow3 h THR 90 N 4.67 0.65 -0.41 -5.21 2.02 -1.99 -0.88 112.91 111.76 1ow3 h THR 90 Ca -0.39 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1ow3 h THR 90 Cb 1.20 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1ow3 h THR 90 CO 0.84 0.04 -0.09 -0.61 0.37 0.00 0.00 175.52 176.07 1ow3 h GLN 91 N 0.22 0.79 -0.48 6.66 5.75 -1.99 -2.09 115.11 123.97 1ow3 h GLN 91 Ca 0.28 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1ow3 h GLN 91 Cb 0.41 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1ow3 h GLN 91 CO -0.39 0.91 -0.10 0.28 -2.65 0.00 0.00 178.83 176.88 1ow3 h VAL 92 N 0.61 1.26 -0.72 2.39 2.07 -1.88 -0.97 116.25 119.01 1ow3 h VAL 92 Ca 0.11 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1ow3 h VAL 92 Cb 0.61 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1ow3 h VAL 92 CO 0.04 0.41 0.29 0.58 0.02 0.00 0.00 177.57 178.91 1ow3 h VAL 93 N 0.78 1.25 -0.71 2.57 2.07 -1.07 -0.06 116.25 121.07 1ow3 h VAL 93 Ca 0.13 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1ow3 h VAL 93 Cb 0.61 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1ow3 h VAL 93 CO 0.04 0.31 0.30 -0.09 0.02 0.00 0.00 177.57 178.15 1ow3 h ARG 94 N 1.03 1.04 -0.01 1.57 2.43 -1.03 -2.67 114.38 116.75 1ow3 h ARG 94 Ca 0.24 -0.16 -0.22 0.00 -0.81 0.00 0.00 59.98 59.02 1ow3 h ARG 94 Cb 0.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ow3 h ARG 94 CO -0.02 0.83 -0.92 0.93 -1.51 0.00 0.00 179.97 179.27 1ow3 h GLU 95 N 1.02 0.41 -0.29 0.20 5.08 -0.47 -2.90 114.58 117.63 1ow3 h GLU 95 Ca 0.24 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1ow3 h GLU 95 Cb 0.17 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ow3 h GLU 95 CO -0.02 1.10 -0.23 0.28 -1.00 0.00 0.00 179.01 179.14 1ow3 h VAL 96 N 0.24 1.26 -0.26 3.13 2.07 -0.95 -1.07 116.25 120.67 1ow3 h VAL 96 Ca -0.08 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1ow3 h VAL 96 Cb 1.56 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1ow3 h VAL 96 CO 0.16 0.40 0.09 1.56 0.02 0.00 0.00 177.57 179.81 1ow3 h GLN 97 N 0.48 0.40 -0.60 1.57 4.20 -1.46 -1.60 115.11 118.09 1ow3 h GLN 97 Ca 0.07 -0.08 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1ow3 h GLN 97 Cb 0.65 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1ow3 h GLN 97 CO 0.05 0.45 0.28 1.96 -0.67 0.00 0.00 178.83 180.89 1ow3 h GLN 98 N 0.27 0.49 -0.30 1.46 4.20 -1.28 -0.31 115.11 119.64 1ow3 h GLN 98 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1ow3 h GLN 98 Cb 0.21 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ow3 h GLN 98 CO -0.01 0.32 0.19 -0.22 -0.67 0.00 0.00 178.83 178.45 1ow3 h LYS 99 N 0.50 0.40 -0.63 1.46 3.64 -0.90 0.45 116.57 121.49 1ow3 h LYS 99 Ca 0.29 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1ow3 h LYS 99 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1ow3 h LYS 99 CO -0.24 0.28 0.30 1.88 -2.27 0.00 0.00 179.45 179.40 1ow3 h TYR 100 N 0.40 0.92 0.00 1.91 0.05 -0.98 -1.37 116.97 117.90 1ow3 h TYR 100 Ca 0.11 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 1ow3 h TYR 100 Cb -0.03 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1ow3 h TYR 100 CO -0.05 0.70 -0.29 -0.91 -1.05 0.00 0.00 178.16 176.56 1ow3 h ASN 101 N 0.87 0.00 0.26 3.88 2.35 -0.49 -1.91 115.58 120.55 1ow3 h ASN 101 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1ow3 h ASN 101 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ow3 h ASN 101 CO -0.03 0.29 -0.14 0.23 -1.65 0.00 0.00 177.43 176.13 1ow3 n MET 102 N -3.91 0.86 -1.17 0.81 2.81 0.10 -3.07 117.12 113.55 1ow3 n MET 102 Ca -0.02 -0.39 -0.03 0.00 -1.81 0.00 0.00 57.70 55.45 1ow3 n MET 102 Cb 0.37 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 1ow3 n MET 102 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ow3 n GLY 103 N 1.28 0.61 3.82 3.03 0.00 -0.72 -4.89 105.19 108.32 1ow3 n GLY 103 Ca 0.15 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1ow3 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ow3 s LEU 104 N -0.79 4.42 0.19 0.99 1.43 -0.56 -5.02 118.68 119.34 1ow3 s LEU 104 Ca 0.00 1.29 -0.31 0.00 -1.03 0.00 0.00 54.13 54.08 1ow3 s LEU 104 Cb 0.00 -3.26 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 1ow3 s LEU 104 CO 0.00 0.14 1.48 -2.84 0.23 0.00 0.00 176.35 175.36 1ow3 s PRO 105 N -1.64 4.26 -0.15 1.29 0.02 -1.26 -4.38 135.00 133.13 1ow3 s PRO 105 Ca 0.37 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.64 1ow3 s PRO 105 Cb -0.18 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1ow3 s PRO 105 CO 0.20 -0.49 -0.03 0.08 -0.33 0.00 0.00 177.00 176.43 1ow3 s VAL 106 N 0.63 3.99 -0.23 3.83 1.01 -1.26 -5.03 120.40 123.32 1ow3 s VAL 106 Ca 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ow3 s VAL 106 Cb -0.42 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1ow3 s VAL 106 CO 0.36 0.50 -0.03 -0.62 0.00 0.00 0.00 175.10 175.32 1ow3 s ASP 107 N 0.26 3.71 0.00 3.32 -1.08 -1.26 -5.01 116.67 116.61 1ow3 s ASP 107 Ca -0.02 -1.16 0.11 0.00 -0.52 0.00 0.00 52.55 50.96 1ow3 s ASP 107 Cb -0.14 -1.07 0.47 0.00 -1.46 0.00 0.00 42.92 40.73 1ow3 s ASP 107 CO 0.03 -0.26 1.35 0.49 0.52 0.00 0.00 175.17 177.30 1ow3 n PHE 108 N 4.74 0.01 0.27 -5.34 3.72 -1.26 -1.30 117.46 118.31 1ow3 n PHE 108 Ca -0.11 0.01 0.16 0.00 -0.05 0.00 0.00 57.45 57.46 1ow3 n PHE 108 Cb 0.44 -0.51 0.74 0.00 -0.94 0.00 0.00 39.48 39.22 1ow3 n PHE 108 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1ow3 h ASP 109 N 0.00 0.00 0.51 4.37 3.32 -1.99 -3.00 116.42 119.63 1ow3 h ASP 109 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ow3 h ASP 109 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ow3 h ASP 109 CO 0.00 0.07 -0.18 1.56 -1.72 0.00 0.00 179.24 178.97 1ow3 h GLN 110 N 0.00 0.00 -6.29 3.56 4.20 -1.64 -3.46 115.11 111.49 1ow3 h GLN 110 Ca -0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 1ow3 h GLN 110 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ow3 h GLN 110 CO 0.01 0.18 -0.36 0.71 -0.67 0.00 0.00 178.83 178.70 1ow3 s TYR 111 N -4.05 3.16 0.14 2.96 2.02 -1.14 -5.05 117.35 115.40 1ow3 s TYR 111 Ca -0.02 -0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 56.39 1ow3 s TYR 111 Cb 0.13 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1ow3 s TYR 111 CO 0.62 0.08 1.44 -2.95 -1.57 0.00 0.00 175.55 173.17 1ow3 h ASN 112 N 0.96 0.94 -3.63 2.29 -1.07 -1.88 -3.47 115.58 109.72 1ow3 h ASN 112 Ca -0.47 -0.48 -0.62 0.00 0.07 0.00 0.00 56.30 54.80 1ow3 h ASN 112 Cb 1.25 -0.27 -0.20 0.00 -2.07 0.00 0.00 38.32 37.03 1ow3 h ASN 112 CO 0.54 1.27 -0.83 -1.83 0.07 0.00 0.00 177.43 176.66 1ow3 s GLU 113 N -4.19 1.36 0.33 4.14 -1.05 -1.26 -5.01 118.70 113.03 1ow3 s GLU 113 Ca -0.10 -1.39 0.26 0.00 -0.15 0.00 0.00 54.97 53.59 1ow3 s GLU 113 Cb 0.11 -1.67 0.92 0.00 -0.44 0.00 0.00 34.13 33.05 1ow3 s GLU 113 CO 0.88 0.37 1.77 -0.07 0.95 0.00 0.00 175.26 179.16 1ow3 h LEU 114 N 3.55 0.00 -0.82 1.83 3.38 -1.95 -3.06 115.31 118.24 1ow3 h LEU 114 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ow3 h LEU 114 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ow3 h LEU 114 CO 0.45 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.43 1ow3 h HIS 115 N 0.00 0.00 0.77 1.13 3.86 -1.94 -3.28 115.15 115.69 1ow3 h HIS 115 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1ow3 h HIS 115 Cb 0.60 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 1ow3 h HIS 115 CO 0.00 0.00 -0.38 1.25 0.86 0.00 0.00 177.93 179.66 1ow3 h LEU 116 N 0.00 -0.92 -1.62 2.43 5.85 -1.86 -0.94 115.31 118.26 1ow3 h LEU 116 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1ow3 h LEU 116 Cb 0.71 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1ow3 h LEU 116 CO 0.00 -0.64 0.36 1.55 -0.34 0.00 0.00 178.44 179.37 1ow3 h PRO 117 N -1.05 0.45 -0.32 5.25 0.13 -1.79 0.67 132.00 135.34 1ow3 h PRO 117 Ca -0.10 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1ow3 h PRO 117 Cb 0.81 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1ow3 h PRO 117 CO 0.16 0.30 0.13 0.00 -0.23 0.00 0.00 178.00 178.36 1ow3 h ALA 118 N 1.71 0.42 -0.34 -0.56 0.00 -1.58 -1.08 119.26 117.83 1ow3 h ALA 118 Ca 0.23 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ow3 h ALA 118 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ow3 h ALA 118 CO -0.06 0.02 -0.34 0.28 0.00 0.00 0.00 179.25 179.14 1ow3 h VAL 119 N 0.37 1.28 -0.71 0.00 2.07 -0.35 -2.60 116.25 116.32 1ow3 h VAL 119 Ca 0.11 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1ow3 h VAL 119 Cb 0.18 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1ow3 h VAL 119 CO -0.01 0.49 0.31 0.40 0.02 0.00 0.00 177.57 178.78 1ow3 h ILE 120 N 0.64 1.24 -0.20 4.57 1.08 -0.75 0.18 117.51 124.26 1ow3 h ILE 120 Ca 0.07 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1ow3 h ILE 120 Cb 0.88 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 1ow3 h ILE 120 CO 0.08 0.29 -0.00 0.25 -0.69 0.00 0.00 178.15 178.08 1ow3 h LEU 121 N 1.00 -0.08 -0.70 1.44 6.46 -1.09 -0.39 115.31 121.94 1ow3 h LEU 121 Ca 0.24 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 1ow3 h LEU 121 Cb 0.16 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1ow3 h LEU 121 CO -0.03 -0.02 0.03 0.11 -0.62 0.00 0.00 178.44 177.92 1ow3 h LYS 122 N 0.06 1.03 -0.62 1.25 1.57 -1.14 -2.70 116.57 116.02 1ow3 h LYS 122 Ca 0.10 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1ow3 h LYS 122 Cb 0.12 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1ow3 h LYS 122 CO -0.16 0.99 0.38 1.15 -0.57 0.00 0.00 179.45 181.24 1ow3 h THR 123 N 0.95 1.08 -0.49 -0.16 2.02 -0.30 -0.99 112.91 115.02 1ow3 h THR 123 Ca 0.18 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1ow3 h THR 123 Cb 0.51 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1ow3 h THR 123 CO 0.02 0.14 0.16 0.15 0.37 0.00 0.00 175.52 176.36 1ow3 h PHE 124 N 0.75 0.27 -0.43 3.16 3.57 -0.77 -1.07 116.94 122.42 1ow3 h PHE 124 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ow3 h PHE 124 Cb 0.01 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1ow3 h PHE 124 CO -0.05 0.07 0.19 -0.07 -2.23 0.00 0.00 178.31 176.22 1ow3 h LEU 125 N 0.32 0.59 -1.69 0.59 3.38 -1.13 -2.88 115.31 114.48 1ow3 h LEU 125 Ca 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ow3 h LEU 125 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ow3 h LEU 125 CO -0.26 0.58 0.14 -0.09 0.09 0.00 0.00 178.44 178.90 1ow3 h ARG 126 N 0.56 0.34 -0.01 1.13 2.43 -0.70 -2.85 114.38 115.29 1ow3 h ARG 126 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ow3 h ARG 126 Cb 0.16 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ow3 h ARG 126 CO -0.01 0.25 -0.12 0.39 -1.51 0.00 0.00 179.97 178.97 1ow3 n GLU 127 N -4.47 1.34 -1.75 0.20 1.02 -0.45 -4.91 120.64 111.61 1ow3 n GLU 127 Ca 0.01 -0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 55.91 1ow3 n GLU 127 Cb 0.09 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1ow3 n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ow3 n LEU 128 N -0.11 4.46 -0.05 -4.62 4.77 -1.08 -3.11 117.00 117.26 1ow3 n LEU 128 Ca 0.16 1.22 0.03 0.00 -0.03 0.00 0.00 56.01 57.39 1ow3 n LEU 128 Cb 0.37 -1.59 0.38 0.00 -2.33 0.00 0.00 43.42 40.25 1ow3 n LEU 128 CO 0.21 -0.01 1.17 -0.65 -1.33 0.00 0.00 177.39 176.78 1ow3 h PRO 129 N 2.85 0.64 -6.28 3.23 0.11 -1.82 -3.40 132.00 127.34 1ow3 h PRO 129 Ca -0.49 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 64.95 1ow3 h PRO 129 Cb 1.25 -0.14 -0.27 0.00 0.11 0.00 0.00 31.00 31.95 1ow3 h PRO 129 CO 0.64 0.43 -0.86 -2.00 -0.21 0.00 0.00 178.00 176.00 1ow3 s GLU 130 N -5.56 1.64 0.61 1.05 2.12 -1.26 -5.12 118.70 112.18 1ow3 s GLU 130 Ca -0.09 -0.93 -0.19 0.00 0.36 0.00 0.00 54.97 54.12 1ow3 s GLU 130 Cb 0.17 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 1ow3 s GLU 130 CO 0.74 0.45 1.21 -0.35 -0.54 0.00 0.00 175.26 176.77 1ow3 n PRO 131 N 2.08 1.19 -0.34 4.30 -0.04 -1.26 -4.88 135.00 136.06 1ow3 n PRO 131 Ca -0.16 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 1ow3 n PRO 131 Cb 0.53 -2.43 0.32 0.00 -0.04 0.00 0.00 33.50 31.87 1ow3 n PRO 131 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ow3 h LEU 132 N 0.75 0.69 -0.27 1.53 5.85 -1.80 0.77 115.31 122.83 1ow3 h LEU 132 Ca -0.50 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1ow3 h LEU 132 Cb 1.34 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1ow3 h LEU 132 CO 0.53 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 179.02 1ow3 n LEU 133 N -4.83 0.42 -0.55 2.25 4.77 -0.85 -4.89 117.00 113.32 1ow3 n LEU 133 Ca 0.23 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.81 1ow3 n LEU 133 Cb 0.59 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1ow3 n LEU 133 CO 0.19 -0.32 -0.19 0.35 -1.33 0.00 0.00 177.39 176.09 1ow3 n THR 134 N -1.94 -0.83 0.25 -5.08 -2.24 0.26 -4.11 114.28 100.60 1ow3 n THR 134 Ca 0.04 0.47 0.13 0.00 -2.27 0.00 0.00 64.05 62.42 1ow3 n THR 134 Cb 0.27 -0.76 0.60 0.00 -2.10 0.00 0.00 70.33 68.34 1ow3 n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ow3 h PHE 135 N -0.12 0.00 0.00 4.78 0.04 -1.95 -2.47 116.94 117.22 1ow3 h PHE 135 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ow3 h PHE 135 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1ow3 h PHE 135 CO 0.02 0.12 0.00 0.22 -0.60 0.00 0.00 178.31 178.08 1ow3 h ASP 136 N 0.00 0.00 0.02 2.17 3.58 -1.98 -1.58 116.42 118.63 1ow3 h ASP 136 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ow3 h ASP 136 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1ow3 h ASP 136 CO 0.02 0.00 -0.11 0.18 -2.88 0.00 0.00 179.24 176.44 1ow3 n LEU 137 N -2.95 2.05 -0.10 2.28 4.32 -0.93 -4.53 117.00 117.13 1ow3 n LEU 137 Ca 0.00 -0.68 -0.06 0.00 -0.02 0.00 0.00 56.01 55.26 1ow3 n LEU 137 Cb 0.27 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.06 1ow3 n LEU 137 CO 0.25 0.35 0.82 0.22 -1.22 0.00 0.00 177.39 177.81 1ow3 h TYR 138 N 3.03 -0.11 -0.85 -1.77 5.03 -1.28 -1.68 116.97 119.35 1ow3 h TYR 138 Ca 0.00 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.39 1ow3 h TYR 138 Cb 0.72 0.10 -0.06 0.00 1.55 0.00 0.00 36.73 39.04 1ow3 h TYR 138 CO 0.00 -0.11 0.53 -1.35 -1.32 0.00 0.00 178.16 175.91 1ow3 h PRO 139 N 0.04 0.95 -0.24 1.82 0.11 -1.80 -0.00 132.00 132.89 1ow3 h PRO 139 Ca 0.17 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ow3 h PRO 139 Cb 0.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1ow3 h PRO 139 CO -0.33 0.63 0.14 1.25 -0.21 0.00 0.00 178.00 179.48 1ow3 h HIS 140 N 0.98 0.32 -0.06 0.65 -0.00 -1.71 -2.12 115.15 113.21 1ow3 h HIS 140 Ca 0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.71 1ow3 h HIS 140 Cb 0.14 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1ow3 h HIS 140 CO -0.03 0.26 -0.03 0.28 -0.00 0.00 0.00 177.93 178.41 1ow3 h VAL 141 N 0.29 1.32 0.00 5.26 2.07 -0.89 -1.50 116.25 122.80 1ow3 h VAL 141 Ca 0.09 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1ow3 h VAL 141 Cb 0.04 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ow3 h VAL 141 CO -0.02 0.28 0.00 -0.37 0.02 0.00 0.00 177.57 177.48 1ow3 h VAL 142 N -0.26 0.00 -0.55 2.57 -1.51 -1.05 -2.06 116.25 113.39 1ow3 h VAL 142 Ca 0.01 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1ow3 h VAL 142 Cb 0.46 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1ow3 h VAL 142 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1ow3 n GLY 143 N 0.14 2.90 0.36 5.19 0.00 -0.80 -4.66 105.19 108.32 1ow3 n GLY 143 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.31 1ow3 n GLY 143 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ow3 h PHE 144 N 3.41 1.12 0.00 1.61 3.57 -0.51 -1.08 116.94 125.06 1ow3 h PHE 144 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ow3 h PHE 144 Cb 1.25 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1ow3 h PHE 144 CO 0.59 0.47 0.00 1.28 -2.23 0.00 0.00 178.31 178.42 1ow3 n LEU 145 N -4.61 0.40 -0.02 0.59 4.77 -1.26 -1.87 117.00 114.99 1ow3 n LEU 145 Ca 0.18 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 1ow3 n LEU 145 Cb 0.32 -0.58 0.35 0.00 -2.33 0.00 0.00 43.42 41.17 1ow3 n LEU 145 CO 0.28 -0.52 0.59 0.59 -1.33 0.00 0.00 177.39 176.99 1ow3 n ASN 146 N -1.96 0.43 -4.75 -1.43 5.03 -0.41 -4.88 115.26 107.30 1ow3 n ASN 146 Ca 0.02 -0.15 -0.40 0.00 0.87 0.00 0.00 54.58 54.92 1ow3 n ASN 146 Cb 0.16 0.08 -0.05 0.00 -1.02 0.00 0.00 39.78 38.95 1ow3 n ASN 146 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ow3 s ILE 147 N -2.95 4.57 0.32 2.41 1.01 -0.78 -5.02 121.20 120.76 1ow3 s ILE 147 Ca 0.13 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 1ow3 s ILE 147 Cb 0.18 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 1ow3 s ILE 147 CO 0.65 0.38 1.52 -1.81 0.00 0.00 0.00 174.94 175.68 1ow3 s ASP 148 N -0.28 6.42 0.27 3.58 1.01 -1.26 -4.84 116.67 121.57 1ow3 s ASP 148 Ca 0.41 2.94 -0.01 0.00 0.71 0.00 0.00 52.55 56.59 1ow3 s ASP 148 Cb -0.22 -2.65 0.59 0.00 1.01 0.00 0.00 42.92 41.65 1ow3 s ASP 148 CO 0.26 -0.85 1.66 -0.08 0.21 0.00 0.00 175.17 176.37 1ow3 h GLU 149 N 4.13 0.22 0.00 8.23 4.22 -1.96 0.48 114.58 129.89 1ow3 h GLU 149 Ca -0.48 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1ow3 h GLU 149 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ow3 h GLU 149 CO 0.73 0.15 0.00 0.66 -2.18 0.00 0.00 179.01 178.37 1ow3 h SER 150 N 0.23 0.00 -0.01 1.04 4.64 -2.05 -2.69 113.55 114.71 1ow3 h SER 150 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1ow3 h SER 150 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ow3 h SER 150 CO -0.60 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 174.74 1ow3 n GLN 151 N -2.62 1.12 -0.17 4.77 1.13 0.17 -4.63 117.38 117.15 1ow3 n GLN 151 Ca -0.01 -0.55 -0.07 0.00 -1.94 0.00 0.00 57.00 54.43 1ow3 n GLN 151 Cb 0.15 -1.40 0.02 0.00 0.11 0.00 0.00 30.24 29.11 1ow3 n GLN 151 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ow3 h ARG 152 N 1.30 0.67 0.29 -1.09 3.08 -1.12 -0.76 114.38 116.75 1ow3 h ARG 152 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ow3 h ARG 152 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ow3 h ARG 152 CO 0.00 0.47 -0.14 0.28 -1.07 0.00 0.00 179.97 179.52 1ow3 h VAL 153 N 0.67 0.73 -0.54 2.04 2.07 -1.82 -1.70 116.25 117.70 1ow3 h VAL 153 Ca 0.18 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ow3 h VAL 153 Cb -0.03 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1ow3 h VAL 153 CO -0.04 0.12 0.17 -0.65 0.02 0.00 0.00 177.57 177.19 1ow3 h PRO 154 N -0.73 0.32 -0.32 1.57 0.11 -1.82 0.49 132.00 131.62 1ow3 h PRO 154 Ca -0.04 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 1ow3 h PRO 154 Cb 0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1ow3 h PRO 154 CO 0.06 0.21 -0.34 0.00 -0.21 0.00 0.00 178.00 177.72 1ow3 h ALA 155 N 1.38 0.80 -0.39 -0.75 0.00 -1.20 -2.51 119.26 116.59 1ow3 h ALA 155 Ca 0.27 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1ow3 h ALA 155 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ow3 h ALA 155 CO -0.30 0.65 -0.24 1.15 0.00 0.00 0.00 179.25 180.52 1ow3 h THR 156 N 0.60 1.28 -0.87 0.00 2.02 -0.85 -2.63 112.91 112.45 1ow3 h THR 156 Ca 0.06 -1.39 0.06 0.00 0.77 0.00 0.00 66.41 65.92 1ow3 h THR 156 Cb 0.87 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 1ow3 h THR 156 CO 0.08 0.46 0.54 -0.07 0.37 0.00 0.00 175.52 176.90 1ow3 h LEU 157 N 0.65 0.86 -0.22 2.58 3.38 -0.79 -0.59 115.31 121.17 1ow3 h LEU 157 Ca 0.08 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ow3 h LEU 157 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ow3 h LEU 157 CO 0.07 0.55 0.13 -0.61 0.09 0.00 0.00 178.44 178.66 1ow3 h GLN 158 N 0.99 0.30 -0.15 1.13 4.15 -1.26 -1.94 115.11 118.33 1ow3 h GLN 158 Ca 0.38 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.63 1ow3 h GLN 158 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1ow3 h GLN 158 CO -0.17 0.24 -0.51 -0.39 -1.93 0.00 0.00 178.83 176.07 1ow3 h VAL 159 N 0.27 1.33 -0.20 2.39 -1.51 -1.11 -2.94 116.25 114.48 1ow3 h VAL 159 Ca 0.08 -1.76 -0.03 0.00 -1.23 0.00 0.00 66.70 63.76 1ow3 h VAL 159 Cb 0.02 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1ow3 h VAL 159 CO -0.01 0.53 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.76 1ow3 h LEU 160 N 0.32 0.28 -2.03 4.19 3.38 -0.88 -1.65 115.31 118.92 1ow3 h LEU 160 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ow3 h LEU 160 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ow3 h LEU 160 CO 0.09 0.35 0.00 0.06 0.09 0.00 0.00 178.44 179.03 1ow3 h GLN 161 N 0.30 0.00 -0.01 1.13 3.07 -1.16 -2.50 115.11 115.93 1ow3 h GLN 161 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1ow3 h GLN 161 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1ow3 h GLN 161 CO 0.01 0.00 -0.30 0.25 0.09 0.00 0.00 178.83 178.88 1ow3 n THR 162 N -3.05 0.00 -2.02 1.86 -2.24 -0.62 -4.93 114.28 103.27 1ow3 n THR 162 Ca -0.01 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1ow3 n THR 162 Cb 0.21 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1ow3 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ow3 s LEU 163 N -2.50 3.70 0.49 3.22 1.43 -0.94 -4.97 118.68 119.10 1ow3 s LEU 163 Ca 0.23 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 1ow3 s LEU 163 Cb 0.19 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 1ow3 s LEU 163 CO 0.53 -1.55 1.15 -2.65 0.23 0.00 0.00 176.35 174.07 1ow3 n PRO 164 N -1.49 1.50 -0.23 1.29 -0.02 -1.26 -4.79 135.00 129.99 1ow3 n PRO 164 Ca 0.13 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1ow3 n PRO 164 Cb 0.49 -2.29 0.12 0.00 -0.02 0.00 0.00 33.50 31.80 1ow3 n PRO 164 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ow3 h GLU 165 N 1.44 0.08 -0.15 -0.52 4.57 -1.97 -1.61 114.58 116.42 1ow3 h GLU 165 Ca -0.48 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1ow3 h GLU 165 Cb 1.32 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 1ow3 h GLU 165 CO 0.56 0.05 0.00 0.93 -1.18 0.00 0.00 179.01 179.38 1ow3 h GLU 166 N 0.08 0.05 -0.75 1.92 3.07 -1.95 -0.91 114.58 116.11 1ow3 h GLU 166 Ca 0.36 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1ow3 h GLU 166 Cb 0.61 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1ow3 h GLU 166 CO -0.63 0.04 0.40 -0.91 -1.40 0.00 0.00 179.01 176.51 1ow3 h ASN 167 N 0.06 0.94 -0.33 1.42 4.21 -1.76 -1.46 115.58 118.66 1ow3 h ASN 167 Ca 0.07 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1ow3 h ASN 167 Cb 0.08 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 1ow3 h ASN 167 CO -0.12 0.77 0.17 0.22 -1.29 0.00 0.00 177.43 177.18 1ow3 h TYR 168 N 1.03 0.46 -0.54 1.19 3.20 -1.00 0.17 116.97 121.48 1ow3 h TYR 168 Ca 0.26 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 1ow3 h TYR 168 Cb 0.05 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1ow3 h TYR 168 CO 0.00 0.39 -0.06 1.96 -1.64 0.00 0.00 178.16 178.81 1ow3 h GLN 169 N 0.40 0.99 -0.51 1.82 1.08 -0.96 -0.25 115.11 117.69 1ow3 h GLN 169 Ca 0.11 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 56.90 1ow3 h GLN 169 Cb 0.10 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1ow3 h GLN 169 CO -0.02 1.01 0.01 0.28 -0.95 0.00 0.00 178.83 179.16 1ow3 h VAL 170 N 0.89 1.26 -0.72 -0.54 2.07 -1.13 -1.36 116.25 116.73 1ow3 h VAL 170 Ca 0.15 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1ow3 h VAL 170 Cb 0.61 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1ow3 h VAL 170 CO 0.04 0.37 0.20 0.25 0.02 0.00 0.00 177.57 178.46 1ow3 h LEU 171 N 0.75 1.06 -0.23 2.57 5.85 -0.74 -0.12 115.31 124.45 1ow3 h LEU 171 Ca 0.14 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1ow3 h LEU 171 Cb 0.50 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1ow3 h LEU 171 CO 0.02 1.00 0.07 -0.09 -0.34 0.00 0.00 178.44 179.11 1ow3 h ARG 172 N 1.07 0.36 -0.01 1.25 2.43 -0.93 -0.99 114.38 117.56 1ow3 h ARG 172 Ca 0.23 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1ow3 h ARG 172 Cb 0.34 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1ow3 h ARG 172 CO -0.00 0.45 -0.07 0.35 -1.51 0.00 0.00 179.97 179.19 1ow3 h PHE 173 N 0.20 -0.17 -0.14 2.20 3.57 -1.10 -1.75 116.94 119.75 1ow3 h PHE 173 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ow3 h PHE 173 Cb 0.24 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1ow3 h PHE 173 CO 0.00 -0.11 0.08 1.25 -2.23 0.00 0.00 178.31 177.30 1ow3 h LEU 174 N -0.12 0.18 -0.97 0.59 5.85 -0.96 -2.38 115.31 117.50 1ow3 h LEU 174 Ca 0.03 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1ow3 h LEU 174 Cb 0.15 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1ow3 h LEU 174 CO -0.08 0.21 -0.17 0.71 -0.34 0.00 0.00 178.44 178.78 1ow3 h THR 175 N 0.13 1.25 -0.75 1.05 1.35 -1.16 0.37 112.91 115.14 1ow3 h THR 175 Ca 0.05 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 1ow3 h THR 175 Cb 0.08 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1ow3 h THR 175 CO -0.01 0.37 0.36 0.00 -0.25 0.00 0.00 175.52 176.00 1ow3 h ALA 176 N 1.32 0.97 -0.40 6.62 0.00 -1.21 -0.86 119.26 125.71 1ow3 h ALA 176 Ca 0.08 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1ow3 h ALA 176 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ow3 h ALA 176 CO 0.04 0.53 -0.35 0.35 0.00 0.00 0.00 179.25 179.82 1ow3 h PHE 177 N 1.06 1.09 -0.23 0.00 3.57 -0.96 -2.50 116.94 118.97 1ow3 h PHE 177 Ca 0.26 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1ow3 h PHE 177 Cb 0.11 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1ow3 h PHE 177 CO 0.01 1.13 -0.15 -0.07 -2.23 0.00 0.00 178.31 177.00 1ow3 h LEU 178 N 0.76 0.37 -0.99 0.59 3.38 -0.63 -1.00 115.31 117.80 1ow3 h LEU 178 Ca 0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1ow3 h LEU 178 Cb 0.93 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1ow3 h LEU 178 CO 0.09 0.55 -0.42 0.58 0.09 0.00 0.00 178.44 179.33 1ow3 h VAL 179 N 0.36 1.31 -0.66 1.22 2.07 -1.01 -1.61 116.25 117.93 1ow3 h VAL 179 Ca 0.07 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1ow3 h VAL 179 Cb 0.48 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1ow3 h VAL 179 CO 0.03 0.45 0.10 -0.61 0.02 0.00 0.00 177.57 177.56 1ow3 h GLN 180 N 0.15 1.08 0.22 1.57 4.15 -0.86 -0.96 115.11 120.47 1ow3 h GLN 180 Ca 0.01 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 1ow3 h GLN 180 Cb 0.80 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1ow3 h GLN 180 CO 0.06 1.00 -0.11 0.82 -1.93 0.00 0.00 178.83 178.67 1ow3 h ILE 181 N 1.01 0.79 0.00 2.39 1.08 -0.62 -2.82 117.51 119.34 1ow3 h ILE 181 Ca 0.20 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1ow3 h ILE 181 Cb 0.44 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1ow3 h ILE 181 CO 0.01 0.01 -0.04 0.77 -0.69 0.00 0.00 178.15 178.21 1ow3 h SER 182 N -0.33 0.00 0.13 1.72 4.64 -1.16 -1.14 113.55 117.42 1ow3 h SER 182 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1ow3 h SER 182 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ow3 h SER 182 CO 0.05 0.04 -0.04 0.00 -0.87 0.00 0.00 176.83 176.02 1ow3 h ALA 183 N 1.96 1.37 -0.53 5.18 0.00 -0.91 -0.93 119.26 125.40 1ow3 h ALA 183 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ow3 h ALA 183 Cb 0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1ow3 h ALA 183 CO 0.01 0.05 0.11 0.72 0.00 0.00 0.00 179.25 180.13 1ow3 n HIS 184 N -3.67 1.81 0.27 0.00 -0.00 -0.43 -4.72 115.22 108.49 1ow3 n HIS 184 Ca -0.03 -1.07 0.12 0.00 -0.00 0.00 0.00 57.72 56.75 1ow3 n HIS 184 Cb 0.13 -0.53 0.77 0.00 -0.00 0.00 0.00 29.99 30.36 1ow3 n HIS 184 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ow3 h SER 185 N 2.49 0.00 -0.36 0.41 4.64 -1.18 -1.26 113.55 118.29 1ow3 h SER 185 Ca 0.14 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1ow3 h SER 185 Cb 1.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.02 1ow3 h SER 185 CO 0.51 0.05 0.24 -0.78 -0.87 0.00 0.00 176.83 175.98 1ow3 h ASP 186 N 0.00 0.33 0.00 4.97 3.58 -1.84 0.26 116.42 123.72 1ow3 h ASP 186 Ca -0.00 -0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1ow3 h ASP 186 Cb 0.11 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 1ow3 h ASP 186 CO 0.01 0.23 -1.34 0.00 -2.88 0.00 0.00 179.24 175.26 1ow3 n GLN 187 N -4.48 0.57 0.00 0.28 3.00 -0.58 -4.57 117.38 111.59 1ow3 n GLN 187 Ca 0.03 0.56 0.13 0.00 -0.01 0.00 0.00 57.00 57.71 1ow3 n GLN 187 Cb 0.15 -1.73 0.45 0.00 0.00 0.00 0.00 30.24 29.11 1ow3 n GLN 187 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1ow3 n ASN 188 N -4.42 0.26 0.00 1.08 0.23 -0.59 -4.29 115.26 107.53 1ow3 n ASN 188 Ca -0.33 0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.79 1ow3 n ASN 188 Cb 0.70 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1ow3 n ASN 188 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ow3 n LYS 189 N -1.46 -0.65 -3.28 -3.83 4.76 0.91 -0.87 118.16 113.74 1ow3 n LYS 189 Ca 0.07 0.16 -0.46 0.00 -2.87 0.00 0.00 58.31 55.21 1ow3 n LYS 189 Cb 0.33 -4.00 -0.02 0.00 -1.84 0.00 0.00 35.03 29.51 1ow3 n LYS 189 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1ow3 s MET 190 N -0.95 3.75 0.98 1.97 -1.94 -1.26 -4.93 119.30 116.93 1ow3 s MET 190 Ca 0.00 -2.56 -0.13 0.00 -1.71 0.00 0.00 55.69 51.29 1ow3 s MET 190 Cb 0.00 -4.53 0.18 0.00 2.01 0.00 0.00 34.83 32.49 1ow3 s MET 190 CO 0.00 -1.34 1.13 0.95 -0.01 0.00 0.00 175.02 175.74 1ow3 s THR 191 N 0.15 1.96 0.42 2.05 -4.23 -1.26 -3.95 115.64 110.77 1ow3 s THR 191 Ca 0.23 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1ow3 s THR 191 Cb -0.09 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.40 1ow3 s THR 191 CO -0.09 0.00 2.03 0.78 -0.54 0.00 0.00 174.62 176.80 1ow3 h ASN 192 N -1.79 0.44 -0.16 3.99 2.35 -1.94 -0.49 115.58 117.98 1ow3 h ASN 192 Ca -0.51 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1ow3 h ASN 192 Cb 1.33 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1ow3 h ASN 192 CO 0.56 0.30 0.09 0.74 -1.65 0.00 0.00 177.43 177.48 1ow3 h THR 193 N 0.51 1.08 -0.61 2.81 2.02 -1.93 -0.09 112.91 116.70 1ow3 h THR 193 Ca 0.20 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1ow3 h THR 193 Cb 0.15 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1ow3 h THR 193 CO -0.05 0.08 0.06 0.78 0.37 0.00 0.00 175.52 176.75 1ow3 h ASN 194 N 0.17 0.99 -0.07 4.18 2.35 -1.64 -2.56 115.58 119.00 1ow3 h ASN 194 Ca 0.06 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1ow3 h ASN 194 Cb 0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1ow3 h ASN 194 CO -0.01 1.01 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.47 1ow3 h LEU 195 N 0.96 0.51 -1.20 1.61 3.38 -1.02 -2.86 115.31 116.69 1ow3 h LEU 195 Ca 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ow3 h LEU 195 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1ow3 h LEU 195 CO 0.02 0.75 0.21 0.00 0.09 0.00 0.00 178.44 179.51 1ow3 h ALA 196 N 1.29 1.37 -0.66 1.53 0.00 -0.62 0.27 119.26 122.44 1ow3 h ALA 196 Ca 0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ow3 h ALA 196 Cb 0.67 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ow3 h ALA 196 CO 0.05 0.48 0.10 0.28 0.00 0.00 0.00 179.25 180.16 1ow3 h VAL 197 N 0.76 1.26 0.00 0.00 2.07 -1.25 -0.13 116.25 118.97 1ow3 h VAL 197 Ca 0.18 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1ow3 h VAL 197 Cb 0.15 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1ow3 h VAL 197 CO -0.02 0.39 -0.95 -0.37 0.02 0.00 0.00 177.57 176.65 1ow3 h VAL 198 N 1.02 0.30 0.00 2.57 -1.51 -1.39 -3.37 116.25 113.86 1ow3 h VAL 198 Ca 0.20 -1.52 -0.34 0.00 -1.23 0.00 0.00 66.70 63.81 1ow3 h VAL 198 Cb 0.45 1.88 -0.06 0.00 -2.13 0.00 0.00 31.29 31.43 1ow3 h VAL 198 CO 0.01 0.17 -2.08 0.49 -1.23 0.00 0.00 177.57 174.93 1ow3 n PHE 199 N -2.88 0.47 -0.26 5.19 3.72 0.05 -4.54 117.46 119.19 1ow3 n PHE 199 Ca -0.03 0.17 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1ow3 n PHE 199 Cb 0.68 -1.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.07 1ow3 n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ow3 n GLY 200 N 1.68 -2.64 0.22 1.37 0.00 -0.07 -0.32 105.19 105.44 1ow3 n GLY 200 Ca -0.26 0.93 0.16 0.00 0.00 0.00 0.00 46.02 46.85 1ow3 n GLY 200 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ow3 h PRO 201 N 0.00 0.00 0.00 1.61 0.11 -1.81 -1.49 132.00 130.42 1ow3 h PRO 201 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ow3 h PRO 201 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1ow3 h PRO 201 CO -0.59 0.00 -0.39 0.09 -0.21 0.00 0.00 178.00 176.91 1ow3 n ASN 202 N -2.65 0.62 -0.08 -2.05 3.02 0.56 -4.01 115.26 110.68 1ow3 n ASN 202 Ca -0.00 0.22 -0.05 0.00 -0.03 0.00 0.00 54.58 54.72 1ow3 n ASN 202 Cb 0.16 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.04 1ow3 n ASN 202 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ow3 n LEU 203 N -1.99 0.00 -3.69 3.41 4.77 -0.59 -4.35 117.00 114.56 1ow3 n LEU 203 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1ow3 n LEU 203 Cb 0.41 0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1ow3 n LEU 203 CO 0.34 0.37 0.22 -0.22 -1.33 0.00 0.00 177.39 176.77 1ow3 s LEU 204 N -5.23 -0.11 0.15 2.23 2.96 -1.07 -2.01 118.68 115.60 1ow3 s LEU 204 Ca -0.09 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.83 1ow3 s LEU 204 Cb 0.08 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.61 1ow3 s LEU 204 CO 0.84 -0.19 0.25 -1.66 -1.32 0.00 0.00 176.35 174.26 1ow3 s TRP 205 N 0.40 0.38 0.26 5.38 -2.14 -1.26 -4.41 118.94 117.55 1ow3 s TRP 205 Ca -0.01 -0.76 -0.03 0.00 2.66 0.00 0.00 56.10 57.96 1ow3 s TRP 205 Cb -0.04 -0.09 -0.05 0.00 -3.10 0.00 0.00 33.47 30.19 1ow3 s TRP 205 CO -0.01 -0.67 0.49 0.00 -2.66 0.00 0.00 176.95 174.11 1ow3 s ALA 206 N -3.95 3.70 0.39 2.67 0.00 -1.26 -4.96 121.76 118.35 1ow3 s ALA 206 Ca 0.15 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1ow3 s ALA 206 Cb 0.04 -2.18 0.80 0.00 0.00 0.00 0.00 23.12 21.77 1ow3 s ALA 206 CO -0.02 0.31 1.94 0.87 0.00 0.00 0.00 175.76 178.86 1ow3 h LYS 207 N 1.77 0.31 -5.24 0.00 1.57 -2.01 -3.40 116.57 109.58 1ow3 h LYS 207 Ca -0.48 -0.06 -0.64 0.00 -1.87 0.00 0.00 60.65 57.60 1ow3 h LYS 207 Cb 1.19 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 1ow3 h LYS 207 CO 0.67 0.38 -0.07 0.34 -0.57 0.00 0.00 179.45 180.20 1ow3 s ASP 208 N -6.85 6.32 0.48 0.86 -1.08 -1.26 -4.97 116.67 110.17 1ow3 s ASP 208 Ca -0.06 0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.17 1ow3 s ASP 208 Cb 0.16 -2.26 1.14 0.00 -1.46 0.00 0.00 42.92 40.49 1ow3 s ASP 208 CO 0.73 -0.43 2.06 0.00 0.52 0.00 0.00 175.17 178.06 1ow3 h ALA 209 N 8.38 2.02 -0.54 3.66 0.00 -2.00 -0.96 119.26 129.82 1ow3 h ALA 209 Ca -0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1ow3 h ALA 209 Cb 1.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ow3 h ALA 209 CO 0.75 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 180.05 1ow3 h ALA 210 N 1.83 1.21 -0.23 0.00 0.00 -1.94 -0.63 119.26 119.49 1ow3 h ALA 210 Ca 0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1ow3 h ALA 210 Cb 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ow3 h ALA 210 CO -0.03 0.55 -0.54 0.82 0.00 0.00 0.00 179.25 180.05 1ow3 h ILE 211 N 0.80 1.29 -0.69 0.00 1.08 -1.59 -2.17 117.51 116.25 1ow3 h ILE 211 Ca 0.18 -1.75 0.08 0.00 -0.39 0.00 0.00 64.86 62.97 1ow3 h ILE 211 Cb 0.30 1.80 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 1ow3 h ILE 211 CO -0.00 0.56 0.36 0.74 -0.69 0.00 0.00 178.15 179.12 1ow3 h THR 212 N 0.50 0.91 -0.41 -0.27 2.02 -1.00 -1.12 112.91 113.54 1ow3 h THR 212 Ca -0.00 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1ow3 h THR 212 Cb 1.16 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1ow3 h THR 212 CO 0.12 0.12 0.19 0.25 0.37 0.00 0.00 175.52 176.57 1ow3 h LEU 213 N 0.64 0.54 -1.98 2.58 5.85 -0.95 -1.17 115.31 120.83 1ow3 h LEU 213 Ca 0.32 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1ow3 h LEU 213 Cb 0.27 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1ow3 h LEU 213 CO -0.22 0.53 0.04 0.11 -0.34 0.00 0.00 178.44 178.55 1ow3 h LYS 214 N 0.52 0.02 -0.72 1.25 1.79 -0.71 -2.43 116.57 116.29 1ow3 h LYS 214 Ca 0.14 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1ow3 h LYS 214 Cb 0.14 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1ow3 h LYS 214 CO -0.02 0.02 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1ow3 n ALA 215 N -2.54 2.49 -0.13 3.86 0.00 -0.49 -4.61 120.51 119.08 1ow3 n ALA 215 Ca -0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 53.44 52.07 1ow3 n ALA 215 Cb 0.12 -0.95 0.20 0.00 0.00 0.00 0.00 19.45 18.82 1ow3 n ALA 215 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1ow3 h ILE 216 N 4.25 1.22 0.30 0.00 6.09 -0.72 -1.13 117.51 127.51 1ow3 h ILE 216 Ca 0.00 -0.75 -0.01 0.00 -1.37 0.00 0.00 64.86 62.73 1ow3 h ILE 216 Cb 1.05 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.95 1ow3 h ILE 216 CO 0.04 0.29 -0.14 -1.13 -3.07 0.00 0.00 178.15 174.13 1ow3 h ASN 217 N 0.81 -0.34 -0.95 2.19 -1.24 -1.82 0.13 115.58 114.36 1ow3 h ASN 217 Ca 0.19 -0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.17 1ow3 h ASN 217 Cb 0.24 0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.32 1ow3 h ASN 217 CO -0.01 -0.14 0.62 -0.65 -1.29 0.00 0.00 177.43 175.96 1ow3 h PRO 218 N -0.52 1.15 -0.04 6.67 0.11 -1.84 0.56 132.00 138.09 1ow3 h PRO 218 Ca -0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ow3 h PRO 218 Cb 0.39 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1ow3 h PRO 218 CO 0.07 0.76 0.02 0.82 -0.21 0.00 0.00 178.00 179.46 1ow3 h ILE 219 N 1.19 1.09 -0.17 4.15 2.04 -0.97 -0.32 117.51 124.51 1ow3 h ILE 219 Ca 0.38 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 1ow3 h ILE 219 Cb 0.03 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ow3 h ILE 219 CO -0.13 0.08 -0.39 0.78 0.00 0.00 0.00 178.15 178.49 1ow3 h ASN 220 N -0.04 0.40 -0.53 1.72 2.35 -0.78 -1.88 115.58 116.82 1ow3 h ASN 220 Ca 0.01 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 1ow3 h ASN 220 Cb 0.10 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1ow3 h ASN 220 CO -0.00 0.76 -0.10 0.74 -1.65 0.00 0.00 177.43 177.17 1ow3 h THR 221 N 0.32 1.27 -0.58 2.81 2.02 -0.75 -1.05 112.91 116.95 1ow3 h THR 221 Ca 0.03 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 65.89 1ow3 h THR 221 Cb 0.83 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1ow3 h THR 221 CO 0.07 0.44 0.10 0.15 0.37 0.00 0.00 175.52 176.65 1ow3 h PHE 222 N 0.91 0.98 -0.44 3.16 3.57 -0.84 -1.48 116.94 122.79 1ow3 h PHE 222 Ca 0.14 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ow3 h PHE 222 Cb 0.66 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1ow3 h PHE 222 CO 0.04 0.84 0.07 1.15 -2.23 0.00 0.00 178.31 178.18 1ow3 h THR 223 N 0.88 1.25 -0.63 4.41 2.02 -1.02 -0.93 112.91 118.88 1ow3 h THR 223 Ca 0.18 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1ow3 h THR 223 Cb 0.38 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1ow3 h THR 223 CO 0.01 0.31 0.40 0.50 0.37 0.00 0.00 175.52 177.11 1ow3 h LYS 224 N 0.59 0.84 -0.34 6.66 3.64 -0.98 -2.32 116.57 124.67 1ow3 h LYS 224 Ca 0.13 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1ow3 h LYS 224 Cb 0.38 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1ow3 h LYS 224 CO 0.01 0.57 0.14 0.35 -2.27 0.00 0.00 179.45 178.26 1ow3 h PHE 225 N 0.86 0.51 -0.99 1.91 3.57 -0.78 0.44 116.94 122.46 1ow3 h PHE 225 Ca 0.23 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.80 1ow3 h PHE 225 Cb -0.07 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.44 1ow3 h PHE 225 CO 0.00 0.47 0.63 -0.07 -2.23 0.00 0.00 178.31 177.11 1ow3 h LEU 226 N 0.40 0.93 0.05 0.59 3.38 -0.65 -1.14 115.31 118.88 1ow3 h LEU 226 Ca 0.11 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1ow3 h LEU 226 Cb 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ow3 h LEU 226 CO -0.01 0.52 -0.73 -0.07 0.09 0.00 0.00 178.44 178.24 1ow3 h LEU 227 N 1.01 0.55 -1.32 1.67 3.38 -1.07 -1.62 115.31 117.91 1ow3 h LEU 227 Ca 0.48 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ow3 h LEU 227 Cb 0.44 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1ow3 h LEU 227 CO -0.24 1.31 0.38 0.44 0.09 0.00 0.00 178.44 180.42 1ow3 h ASP 228 N -0.13 0.74 -0.30 -0.43 3.32 -0.75 -2.83 116.42 116.03 1ow3 h ASP 228 Ca -0.10 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1ow3 h ASP 228 Cb 1.46 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 1ow3 h ASP 228 CO 0.14 0.56 -0.04 1.41 -1.72 0.00 0.00 179.24 179.59 1ow3 n HIS 229 N -4.41 0.98 -0.25 4.55 8.25 -0.45 -4.78 115.22 119.10 1ow3 n HIS 229 Ca 0.06 -1.33 0.04 0.00 -0.26 0.00 0.00 57.72 56.23 1ow3 n HIS 229 Cb 0.07 -0.41 0.17 0.00 1.12 0.00 0.00 29.99 30.93 1ow3 n HIS 229 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1ow3 h GLN 230 N 1.20 0.49 0.00 -0.41 -0.00 -1.03 -1.06 115.11 114.30 1ow3 h GLN 230 Ca 0.14 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.69 1ow3 h GLN 230 Cb 1.55 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.91 1ow3 h GLN 230 CO 0.31 0.32 -0.32 0.78 0.00 0.00 0.00 178.83 179.93 1ow3 h GLY 231 N 0.50 0.00 1.44 2.39 0.00 -1.86 -0.99 103.07 104.55 1ow3 h GLY 231 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.43 1ow3 h GLY 231 CO -0.35 0.00 -1.39 0.83 0.00 0.00 0.00 176.54 175.63 1ow3 h GLU 232 N 0.00 0.26 0.00 4.80 5.08 -1.66 -3.36 114.58 119.71 1ow3 h GLU 232 Ca -0.00 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1ow3 h GLU 232 Cb 0.65 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ow3 h GLU 232 CO 0.04 1.17 -0.81 -0.07 -1.00 0.00 0.00 179.01 178.34 1ow3 h LEU 233 N 0.07 0.00 -0.49 1.33 3.38 -1.00 -3.51 115.31 115.10 1ow3 h LEU 233 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ow3 h LEU 233 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1ow3 h LEU 233 CO 0.19 0.50 0.00 0.49 0.09 0.00 0.00 178.44 179.70