#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ow3 s ILE 4 N 0.00 4.66 -0.09 0.00 1.01 -1.26 -5.02 121.20 120.50 1ow3 s ILE 4 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1ow3 s ILE 4 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1ow3 s ILE 4 CO 0.00 -0.47 -0.14 -0.13 0.00 0.00 0.00 174.94 174.21 1ow3 s ARG 5 N 3.29 2.91 0.03 2.79 0.52 -1.26 -0.61 118.95 126.62 1ow3 s ARG 5 Ca 0.35 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1ow3 s ARG 5 Cb -0.13 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 1ow3 s ARG 5 CO 0.17 0.44 -0.09 0.15 0.02 0.00 0.00 175.30 175.99 1ow3 s LYS 6 N -0.24 0.62 -0.20 3.54 -0.14 -0.83 -4.96 119.74 117.52 1ow3 s LYS 6 Ca 0.01 -0.66 -0.07 0.00 -1.36 0.00 0.00 55.97 53.90 1ow3 s LYS 6 Cb -0.13 -0.51 -0.03 0.00 -1.68 0.00 0.00 37.83 35.48 1ow3 s LYS 6 CO 0.03 0.12 0.04 0.21 -0.76 0.00 0.00 175.35 174.99 1ow3 s LYS 7 N -1.19 3.77 -0.08 1.68 2.20 -1.26 -1.21 119.74 123.66 1ow3 s LYS 7 Ca -0.04 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.17 1ow3 s LYS 7 Cb -0.08 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1ow3 s LYS 7 CO 0.01 0.07 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.71 1ow3 s LEU 8 N 0.89 2.42 -0.07 5.43 0.20 -0.00 -0.94 118.68 126.61 1ow3 s LEU 8 Ca 0.03 -0.38 0.06 0.00 0.69 0.00 0.00 54.13 54.52 1ow3 s LEU 8 Cb -0.14 -1.48 -0.01 0.00 -0.43 0.00 0.00 46.19 44.13 1ow3 s LEU 8 CO 0.02 0.25 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.39 1ow3 s VAL 9 N -0.17 2.05 -0.13 1.68 1.01 -0.90 -0.60 120.40 123.33 1ow3 s VAL 9 Ca -0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1ow3 s VAL 9 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1ow3 s VAL 9 CO 0.04 0.57 -0.04 -0.51 0.00 0.00 0.00 175.10 175.15 1ow3 s ILE 10 N -0.07 3.86 0.16 2.22 2.07 -0.88 -1.14 121.20 127.41 1ow3 s ILE 10 Ca -0.06 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 1ow3 s ILE 10 Cb -0.15 -2.66 -0.05 0.00 0.13 0.00 0.00 42.46 39.74 1ow3 s ILE 10 CO 0.05 0.52 -0.02 0.68 -1.91 0.00 0.00 174.94 174.26 1ow3 s VAL 11 N 0.08 0.73 0.00 4.00 -7.23 -0.27 -3.78 120.40 113.92 1ow3 s VAL 11 Ca -0.01 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1ow3 s VAL 11 Cb -0.14 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1ow3 s VAL 11 CO 0.03 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1ow3 n GLY 12 N -0.20 3.04 3.48 2.32 0.00 -1.26 -0.61 105.19 111.96 1ow3 n GLY 12 Ca -0.08 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1ow3 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ow3 n ASP 13 N 0.00 -1.16 -4.71 1.61 9.92 -1.26 -3.99 116.55 116.95 1ow3 n ASP 13 Ca 0.00 0.50 -0.43 0.00 -0.53 0.00 0.00 54.79 54.33 1ow3 n ASP 13 Cb 0.00 -1.26 -0.01 0.00 -0.64 0.00 0.00 41.12 39.21 1ow3 n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ow3 n GLY 14 N 1.43 0.86 2.51 0.44 0.00 -1.26 -2.52 105.19 106.65 1ow3 n GLY 14 Ca 0.09 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 1ow3 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ow3 n ALA 15 N 0.97 -0.36 1.69 4.61 0.00 -1.26 -4.87 120.51 121.30 1ow3 n ALA 15 Ca 0.06 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1ow3 n ALA 15 Cb 0.36 -1.96 0.72 0.00 0.00 0.00 0.00 19.45 18.56 1ow3 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ow3 n GLY 17 N 1.12 1.21 0.11 0.00 0.00 -1.26 -4.52 105.19 101.86 1ow3 n GLY 17 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1ow3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ow3 h LYS 18 N 0.51 -0.19 -0.41 1.61 1.57 -1.91 -1.79 116.57 115.96 1ow3 h LYS 18 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ow3 h LYS 18 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1ow3 h LYS 18 CO 0.00 -0.10 0.12 1.15 -0.57 0.00 0.00 179.45 180.05 1ow3 h THR 19 N -0.24 1.22 -0.78 -0.16 2.02 -1.96 -1.81 112.91 111.20 1ow3 h THR 19 Ca -0.02 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.48 1ow3 h THR 19 Cb 0.18 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1ow3 h THR 19 CO 0.03 0.26 0.51 0.00 0.37 0.00 0.00 175.52 176.69 1ow3 h LEU 21 N 0.89 0.29 -0.88 0.00 5.85 -0.93 -1.89 115.31 118.65 1ow3 h LEU 21 Ca 0.33 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1ow3 h LEU 21 Cb 0.15 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1ow3 h LEU 21 CO -0.11 0.44 0.21 -0.07 -0.34 0.00 0.00 178.44 178.57 1ow3 h LEU 22 N 0.12 0.97 -0.05 2.25 3.38 -0.68 -2.96 115.31 118.34 1ow3 h LEU 22 Ca 0.06 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1ow3 h LEU 22 Cb 0.26 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ow3 h LEU 22 CO 0.00 0.91 -0.70 0.40 0.09 0.00 0.00 178.44 179.14 1ow3 h ILE 23 N 1.00 1.35 -0.96 1.22 1.08 -1.13 -1.64 117.51 118.44 1ow3 h ILE 23 Ca 0.22 -2.03 0.03 0.00 -0.39 0.00 0.00 64.86 62.69 1ow3 h ILE 23 Cb 0.28 2.35 -0.05 0.00 -3.07 0.00 0.00 36.82 36.33 1ow3 h ILE 23 CO -0.01 0.61 0.63 0.58 -0.69 0.00 0.00 178.15 179.27 1ow3 h VAL 24 N 0.16 1.18 -0.13 1.67 2.07 -1.36 1.43 116.25 121.27 1ow3 h VAL 24 Ca -0.07 -0.42 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 1ow3 h VAL 24 Cb 1.37 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ow3 h VAL 24 CO 0.14 0.22 -0.72 -1.13 0.02 0.00 0.00 177.57 176.11 1ow3 h ASN 25 N 1.23 0.68 0.32 0.57 -0.73 -1.51 -0.46 115.58 115.67 1ow3 h ASN 25 Ca 0.37 -0.43 -0.33 0.00 1.87 0.00 0.00 56.30 57.79 1ow3 h ASN 25 Cb -0.03 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 1ow3 h ASN 25 CO -0.11 1.19 -1.77 -1.28 -0.37 0.00 0.00 177.43 175.09 1ow3 h SER 26 N 0.40 0.32 0.00 1.15 0.87 -0.60 -3.40 113.55 112.29 1ow3 h SER 26 Ca -0.03 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1ow3 h SER 26 Cb 1.31 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ow3 h SER 26 CO 0.13 1.52 -0.53 0.29 -0.53 0.00 0.00 176.83 177.72 1ow3 n LYS 27 N -3.37 3.55 -2.56 2.24 4.01 0.48 -5.01 118.16 117.50 1ow3 n LYS 27 Ca -0.23 -0.01 -0.17 0.00 -0.51 0.00 0.00 58.31 57.40 1ow3 n LYS 27 Cb 1.05 -0.98 0.01 0.00 -0.51 0.00 0.00 35.03 34.60 1ow3 n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ow3 n ASP 28 N -1.27 -4.94 -3.72 4.39 8.00 -0.18 -4.99 116.55 113.84 1ow3 n ASP 28 Ca 0.02 -0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 1ow3 n ASP 28 Cb 0.16 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 37.21 1ow3 n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ow3 s GLN 29 N -5.10 0.35 -0.26 -1.24 2.00 -1.25 -5.01 119.66 109.15 1ow3 s GLN 29 Ca 0.11 0.64 -0.29 0.00 -2.00 0.00 0.00 55.36 53.82 1ow3 s GLN 29 Cb -0.05 0.02 -0.01 0.00 0.80 0.00 0.00 33.01 33.77 1ow3 s GLN 29 CO 0.14 -0.13 1.35 0.12 -0.50 0.00 0.00 175.29 176.26 1ow3 s PHE 30 N 1.03 2.62 0.42 1.67 5.36 -1.26 -3.84 117.98 123.98 1ow3 s PHE 30 Ca -0.07 0.84 -0.23 0.00 -0.96 0.00 0.00 56.93 56.51 1ow3 s PHE 30 Cb -0.07 -3.83 -0.12 0.00 -0.34 0.00 0.00 43.02 38.65 1ow3 s PHE 30 CO -0.08 -1.93 0.62 -2.30 -1.46 0.00 0.00 175.22 170.07 1ow3 n PRO 31 N 7.21 0.68 -0.60 10.12 -0.02 -1.26 -4.92 135.00 146.20 1ow3 n PRO 31 Ca 0.15 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 1ow3 n PRO 31 Cb 0.46 -1.59 0.20 0.00 -0.02 0.00 0.00 33.50 32.55 1ow3 n PRO 31 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ow3 n GLU 32 N 0.49 1.87 -4.13 -0.52 0.00 -1.26 -5.04 120.64 112.05 1ow3 n GLU 32 Ca 0.11 -3.08 -0.09 0.00 0.00 0.00 0.00 57.16 54.10 1ow3 n GLU 32 Cb 0.40 -1.73 -0.10 0.00 0.00 0.00 0.00 31.44 30.00 1ow3 n GLU 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1ow3 s VAL 33 N -3.13 0.29 -0.54 3.84 -7.23 -1.26 -5.10 120.40 107.27 1ow3 s VAL 33 Ca 0.41 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1ow3 s VAL 33 Cb 0.37 -1.73 0.14 0.00 0.56 0.00 0.00 36.38 35.72 1ow3 s VAL 33 CO -0.00 -0.80 0.30 -0.47 -0.31 0.00 0.00 175.10 173.82 1ow3 s TYR 34 N -3.89 3.25 -0.13 2.82 5.04 -1.26 -5.04 117.35 118.14 1ow3 s TYR 34 Ca 0.14 -3.07 -0.05 0.00 -2.44 0.00 0.00 57.07 51.65 1ow3 s TYR 34 Cb 0.07 -2.91 0.06 0.00 0.35 0.00 0.00 41.96 39.53 1ow3 s TYR 34 CO -0.05 -0.77 0.27 0.08 -1.34 0.00 0.00 175.55 173.74 1ow3 s VAL 35 N -0.22 -0.33 0.21 3.14 1.01 -1.26 -5.14 120.40 117.81 1ow3 s VAL 35 Ca 0.17 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1ow3 s VAL 35 Cb -0.24 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1ow3 s VAL 35 CO -0.01 0.10 1.24 -2.16 0.00 0.00 0.00 175.10 174.28 1ow3 s PRO 36 N 2.14 4.45 0.39 2.72 0.04 -1.26 -5.01 135.00 138.47 1ow3 s PRO 36 Ca -0.02 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 62.76 1ow3 s PRO 36 Cb -0.12 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1ow3 s PRO 36 CO -0.09 -0.14 1.02 0.99 0.04 0.00 0.00 177.00 178.82 1ow3 s THR 37 N -0.19 3.89 0.00 1.26 2.01 -1.26 -5.01 115.64 116.34 1ow3 s THR 37 Ca 0.53 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.96 1ow3 s THR 37 Cb -0.35 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1ow3 s THR 37 CO 0.39 -0.01 0.00 0.52 -0.69 0.00 0.00 174.62 174.84 1ow3 n VAL 38 N -0.02 0.00 -3.75 3.82 0.31 -1.26 -4.10 118.33 113.33 1ow3 n VAL 38 Ca 0.05 0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.32 1ow3 n VAL 38 Cb 0.50 -0.87 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 1ow3 n VAL 38 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1ow3 s PHE 39 N -0.14 -0.34 0.10 3.52 0.08 -1.26 -2.42 117.98 117.51 1ow3 s PHE 39 Ca 0.00 0.81 -0.07 0.00 0.12 0.00 0.00 56.93 57.78 1ow3 s PHE 39 Cb 0.00 0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1ow3 s PHE 39 CO 0.00 -0.21 0.17 -1.21 -0.10 0.00 0.00 175.22 173.88 1ow3 s GLU 40 N 0.81 0.88 0.01 0.44 0.41 -1.09 -5.01 118.70 115.15 1ow3 s GLU 40 Ca -0.06 -1.05 0.06 0.00 -0.41 0.00 0.00 54.97 53.51 1ow3 s GLU 40 Cb -0.07 0.33 -0.02 0.00 -1.78 0.00 0.00 34.13 32.60 1ow3 s GLU 40 CO -0.05 -0.28 -0.17 -0.80 -0.49 0.00 0.00 175.26 173.47 1ow3 s ASN 41 N -2.90 2.02 0.23 -0.19 0.01 -1.26 -0.42 114.94 112.44 1ow3 s ASN 41 Ca 0.08 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1ow3 s ASN 41 Cb 0.05 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 1ow3 s ASN 41 CO -0.08 0.17 0.13 -0.31 -1.51 0.00 0.00 177.10 175.50 1ow3 s TYR 42 N -0.54 1.35 0.01 2.20 2.02 -0.03 -4.99 117.35 117.38 1ow3 s TYR 42 Ca 0.06 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.45 1ow3 s TYR 42 Cb -0.07 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1ow3 s TYR 42 CO 0.00 -0.54 -0.06 0.08 -1.57 0.00 0.00 175.55 173.47 1ow3 s VAL 43 N -3.95 0.44 -0.00 0.71 1.01 -1.26 -0.22 120.40 117.12 1ow3 s VAL 43 Ca 0.38 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ow3 s VAL 43 Cb 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1ow3 s VAL 43 CO 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.18 1ow3 s ALA 44 N -0.48 0.23 -0.18 5.51 0.00 -0.34 -4.88 121.76 121.63 1ow3 s ALA 44 Ca -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1ow3 s ALA 44 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1ow3 s ALA 44 CO -0.00 0.05 0.09 -0.51 0.00 0.00 0.00 175.76 175.39 1ow3 s ASP 45 N -0.15 5.88 0.03 0.00 1.01 -1.26 -0.19 116.67 121.98 1ow3 s ASP 45 Ca 0.00 0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.42 1ow3 s ASP 45 Cb -0.02 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 1ow3 s ASP 45 CO -0.00 0.21 0.00 -0.51 0.21 0.00 0.00 175.17 175.09 1ow3 s ILE 46 N 0.15 0.15 -0.07 0.77 2.07 -0.49 -5.00 121.20 118.78 1ow3 s ILE 46 Ca 0.06 -1.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.11 1ow3 s ILE 46 Cb -0.12 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.72 1ow3 s ILE 46 CO -0.00 -0.66 -0.07 -0.70 -1.91 0.00 0.00 174.94 171.59 1ow3 s GLU 47 N -2.42 1.27 0.01 3.50 2.12 -1.26 -0.19 118.70 121.72 1ow3 s GLU 47 Ca -0.07 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.05 1ow3 s GLU 47 Cb -0.03 -1.24 -0.01 0.00 0.26 0.00 0.00 34.13 33.11 1ow3 s GLU 47 CO -0.04 -0.13 -0.03 0.14 -0.54 0.00 0.00 175.26 174.66 1ow3 s VAL 48 N 1.19 0.23 -1.69 3.70 -7.23 -0.33 -4.88 120.40 111.39 1ow3 s VAL 48 Ca -0.06 -0.32 -0.17 0.00 -1.81 0.00 0.00 61.98 59.62 1ow3 s VAL 48 Cb -0.14 -0.24 0.15 0.00 0.56 0.00 0.00 36.38 36.71 1ow3 s VAL 48 CO -0.02 -0.06 0.75 0.47 -0.31 0.00 0.00 175.10 175.94 1ow3 n ASP 49 N 2.67 -3.03 -0.82 4.85 8.00 -1.26 0.02 116.55 126.97 1ow3 n ASP 49 Ca -0.15 -1.02 -0.10 0.00 0.71 0.00 0.00 54.79 54.23 1ow3 n ASP 49 Cb 0.58 -2.74 -0.04 0.00 -0.02 0.00 0.00 41.12 38.90 1ow3 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ow3 n GLY 50 N -1.45 1.12 3.24 0.44 0.00 -1.26 -5.01 105.19 102.28 1ow3 n GLY 50 Ca 0.05 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1ow3 n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ow3 s LYS 51 N -2.98 3.06 -0.24 1.61 2.47 0.10 -5.11 119.74 118.65 1ow3 s LYS 51 Ca 0.00 -0.85 -0.11 0.00 -1.56 0.00 0.00 55.97 53.45 1ow3 s LYS 51 Cb 0.00 -2.34 -0.05 0.00 -1.46 0.00 0.00 37.83 33.98 1ow3 s LYS 51 CO 0.00 0.20 0.16 -0.65 0.16 0.00 0.00 175.35 175.22 1ow3 s GLN 52 N 0.30 4.06 -0.04 4.03 -0.21 -1.26 -1.18 119.66 125.35 1ow3 s GLN 52 Ca -0.17 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 54.99 1ow3 s GLN 52 Cb -0.17 -3.55 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 1ow3 s GLN 52 CO 0.08 0.03 -0.20 0.08 -2.12 0.00 0.00 175.29 173.16 1ow3 s VAL 53 N 1.14 1.65 -0.38 1.09 1.01 0.73 -4.23 120.40 121.41 1ow3 s VAL 53 Ca 0.07 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1ow3 s VAL 53 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1ow3 s VAL 53 CO 0.05 0.47 0.40 -0.70 0.00 0.00 0.00 175.10 175.32 1ow3 s GLU 54 N -0.10 3.35 -0.32 2.72 2.12 0.22 -1.39 118.70 125.30 1ow3 s GLU 54 Ca -0.02 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.60 1ow3 s GLU 54 Cb -0.12 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1ow3 s GLU 54 CO 0.02 -0.68 0.32 -1.17 -0.54 0.00 0.00 175.26 173.21 1ow3 s LEU 55 N 2.08 4.33 -0.28 2.70 2.96 0.73 -1.97 118.68 129.23 1ow3 s LEU 55 Ca 0.12 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.65 1ow3 s LEU 55 Cb -0.17 -2.29 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 1ow3 s LEU 55 CO 0.13 -0.26 0.78 0.00 -1.32 0.00 0.00 176.35 175.68 1ow3 s ALA 56 N 1.94 3.57 -0.32 5.97 0.00 -0.35 -1.20 121.76 131.38 1ow3 s ALA 56 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1ow3 s ALA 56 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ow3 s ALA 56 CO 0.11 -1.07 0.21 -0.51 0.00 0.00 0.00 175.76 174.50 1ow3 s LEU 57 N 2.87 4.31 -0.37 0.00 1.43 0.70 -0.82 118.68 126.79 1ow3 s LEU 57 Ca 0.32 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1ow3 s LEU 57 Cb -0.15 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1ow3 s LEU 57 CO 0.11 -0.17 0.22 0.26 0.23 0.00 0.00 176.35 177.00 1ow3 s TRP 58 N 1.73 3.23 0.11 0.29 0.52 0.23 -0.85 118.94 124.19 1ow3 s TRP 58 Ca 0.06 -0.77 -0.16 0.00 0.02 0.00 0.00 56.10 55.26 1ow3 s TRP 58 Cb -0.17 -2.46 -0.07 0.00 -1.15 0.00 0.00 33.47 29.63 1ow3 s TRP 58 CO 0.10 -0.58 0.54 0.34 0.02 0.00 0.00 176.95 177.37 1ow3 s ASP 59 N 1.60 6.89 0.21 2.95 -1.08 0.45 -2.07 116.67 125.62 1ow3 s ASP 59 Ca 0.03 1.11 0.02 0.00 -0.52 0.00 0.00 52.55 53.20 1ow3 s ASP 59 Cb -0.19 -2.30 -0.05 0.00 -1.46 0.00 0.00 42.92 38.92 1ow3 s ASP 59 CO 0.08 0.18 0.04 0.42 0.52 0.00 0.00 175.17 176.40 1ow3 s THR 60 N -1.31 0.69 -0.03 1.71 -4.23 -1.25 -2.65 115.64 108.57 1ow3 s THR 60 Ca 0.33 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.64 1ow3 s THR 60 Cb -0.17 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1ow3 s THR 60 CO 0.18 -0.28 0.61 0.00 -0.54 0.00 0.00 174.62 174.60 1ow3 s ALA 61 N -3.65 3.45 -0.66 3.99 0.00 -1.02 -4.83 121.76 119.04 1ow3 s ALA 61 Ca 0.30 0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.54 1ow3 s ALA 61 Cb 0.07 -2.79 0.58 0.00 0.00 0.00 0.00 23.12 20.98 1ow3 s ALA 61 CO 0.08 0.08 1.58 0.78 0.00 0.00 0.00 175.76 178.28 1ow3 h GLY 62 N 6.04 0.00 -3.30 0.00 0.00 -1.85 -3.47 103.07 100.50 1ow3 h GLY 62 Ca -0.44 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.38 1ow3 h GLY 62 CO 0.72 0.00 0.56 1.20 0.00 0.00 0.00 176.54 179.02 1ow3 s GLN 63 N -3.14 4.00 0.29 4.80 1.11 -1.26 -4.14 119.66 121.32 1ow3 s GLN 63 Ca 0.08 2.02 0.21 0.00 0.01 0.00 0.00 55.36 57.69 1ow3 s GLN 63 Cb 0.12 -2.72 1.06 0.00 -1.01 0.00 0.00 33.01 30.46 1ow3 s GLN 63 CO 0.65 -0.42 1.66 0.39 0.01 0.00 0.00 175.29 177.58 1ow3 n GLU 64 N 0.11 0.15 0.31 2.91 1.02 -1.26 -1.52 120.64 122.37 1ow3 n GLU 64 Ca 0.04 0.56 0.18 0.00 -0.02 0.00 0.00 57.16 57.92 1ow3 n GLU 64 Cb 0.45 -1.91 1.03 0.00 -0.02 0.00 0.00 31.44 30.99 1ow3 n GLU 64 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ow3 h ASP 65 N 0.00 0.00 -0.42 1.62 3.32 -1.96 -1.88 116.42 117.10 1ow3 h ASP 65 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ow3 h ASP 65 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ow3 h ASP 65 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1ow3 n TYR 66 N -3.56 0.86 -0.16 4.55 4.01 -0.57 -4.67 117.16 117.62 1ow3 n TYR 66 Ca -0.03 -0.62 0.10 0.00 -0.16 0.00 0.00 57.90 57.19 1ow3 n TYR 66 Cb 0.09 -0.15 0.43 0.00 -0.31 0.00 0.00 39.34 39.40 1ow3 n TYR 66 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ow3 h ASP 67 N 2.60 0.52 1.20 7.72 3.32 -1.46 0.10 116.42 130.44 1ow3 h ASP 67 Ca 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1ow3 h ASP 67 Cb 1.10 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1ow3 h ASP 67 CO 0.11 0.31 -0.55 0.03 -1.72 0.00 0.00 179.24 177.43 1ow3 h ARG 68 N 0.58 0.00 0.03 3.56 3.08 -1.83 -3.37 114.38 116.43 1ow3 h ARG 68 Ca 0.33 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.03 1ow3 h ARG 68 Cb 0.50 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 1ow3 h ARG 68 CO -0.11 0.55 -2.06 1.28 -1.07 0.00 0.00 179.97 178.55 1ow3 n LEU 69 N -3.35 1.36 -0.26 3.04 4.77 -0.69 -4.51 117.00 117.35 1ow3 n LEU 69 Ca 0.01 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1ow3 n LEU 69 Cb 0.70 -0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.78 1ow3 n LEU 69 CO 0.40 0.60 1.05 -0.09 -1.33 0.00 0.00 177.39 178.03 1ow3 h ARG 70 N 0.02 0.52 0.00 3.23 2.43 -0.98 -1.72 114.38 117.88 1ow3 h ARG 70 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1ow3 h ARG 70 Cb 2.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1ow3 h ARG 70 CO 0.04 0.35 0.04 -1.35 -1.51 0.00 0.00 179.97 177.54 1ow3 h PRO 71 N 0.54 0.00 0.00 0.20 0.11 -1.79 -0.20 132.00 130.86 1ow3 h PRO 71 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1ow3 h PRO 71 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1ow3 h PRO 71 CO -0.35 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.72 1ow3 n LEU 72 N -3.00 0.53 0.04 2.35 4.77 -0.65 -1.76 117.00 119.29 1ow3 n LEU 72 Ca -0.03 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1ow3 n LEU 72 Cb 0.11 -0.63 0.26 0.00 -2.33 0.00 0.00 43.42 40.83 1ow3 n LEU 72 CO 0.18 -0.62 0.48 -1.20 -1.33 0.00 0.00 177.39 174.91 1ow3 n SER 73 N -2.12 0.57 0.09 -1.43 7.64 -0.09 -4.50 113.62 113.77 1ow3 n SER 73 Ca 0.01 0.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.92 1ow3 n SER 73 Cb 0.16 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 1ow3 n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1ow3 h TYR 74 N 0.00 0.00 -2.70 1.43 0.05 -1.48 -3.46 116.97 110.80 1ow3 h TYR 74 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1ow3 h TYR 74 Cb 0.64 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.47 1ow3 h TYR 74 CO 0.00 0.86 0.50 -2.30 -1.05 0.00 0.00 178.16 176.17 1ow3 n PRO 75 N -3.45 1.88 -1.85 4.88 -0.02 -1.26 -2.61 135.00 132.57 1ow3 n PRO 75 Ca -0.00 0.67 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 1ow3 n PRO 75 Cb 0.84 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1ow3 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ow3 n ASP 76 N 1.75 -4.99 -4.76 2.55 8.00 -1.26 -4.98 116.55 112.85 1ow3 n ASP 76 Ca 0.10 0.23 -0.39 0.00 0.71 0.00 0.00 54.79 55.43 1ow3 n ASP 76 Cb 0.32 -4.02 -0.04 0.00 -0.02 0.00 0.00 41.12 37.35 1ow3 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ow3 s THR 77 N -2.72 3.47 -0.10 -3.53 2.01 -1.07 -4.68 115.64 109.01 1ow3 s THR 77 Ca 0.00 1.39 0.17 0.00 0.31 0.00 0.00 61.69 63.56 1ow3 s THR 77 Cb 0.00 -3.85 -0.25 0.00 0.01 0.00 0.00 72.50 68.41 1ow3 s THR 77 CO 0.00 0.27 0.22 0.47 -0.69 0.00 0.00 174.62 174.89 1ow3 n ASP 78 N 0.86 0.74 -3.66 3.53 8.00 -0.12 -4.93 116.55 120.97 1ow3 n ASP 78 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 1ow3 n ASP 78 Cb 0.46 1.35 -0.08 0.00 -0.02 0.00 0.00 41.12 42.83 1ow3 n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ow3 s VAL 79 N -2.82 0.01 -0.11 2.53 0.11 -0.96 -4.32 120.40 114.86 1ow3 s VAL 79 Ca -0.08 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1ow3 s VAL 79 Cb 0.08 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1ow3 s VAL 79 CO 0.74 -0.05 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.70 1ow3 s ILE 80 N -0.39 3.10 -0.37 7.04 -1.09 -0.43 -2.12 121.20 126.93 1ow3 s ILE 80 Ca -0.05 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 1ow3 s ILE 80 Cb -0.03 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1ow3 s ILE 80 CO 0.04 0.54 0.26 -0.76 -1.23 0.00 0.00 174.94 173.80 1ow3 s LEU 81 N 0.01 4.78 -0.31 2.97 1.43 -0.30 -0.70 118.68 126.57 1ow3 s LEU 81 Ca -0.04 -0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1ow3 s LEU 81 Cb -0.14 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1ow3 s LEU 81 CO 0.04 -0.33 0.14 -0.32 0.23 0.00 0.00 176.35 176.10 1ow3 s MET 82 N 1.70 3.24 0.08 1.70 1.75 -0.39 -1.12 119.30 126.26 1ow3 s MET 82 Ca 0.05 -0.78 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 1ow3 s MET 82 Cb -0.18 -3.52 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 1ow3 s MET 82 CO 0.10 -0.44 -0.05 0.00 -0.65 0.00 0.00 175.02 173.98 1ow3 s PHE 84 N -1.22 1.48 -0.14 0.00 -0.71 -0.71 -4.07 117.98 112.61 1ow3 s PHE 84 Ca 0.23 -1.21 -0.03 0.00 -1.04 0.00 0.00 56.93 54.88 1ow3 s PHE 84 Cb -0.11 -0.85 -0.03 0.00 -1.21 0.00 0.00 43.02 40.82 1ow3 s PHE 84 CO 0.15 -0.38 -0.05 0.45 -1.34 0.00 0.00 175.22 174.06 1ow3 s SER 85 N -3.29 4.75 0.55 1.98 0.15 -1.26 -1.06 113.70 115.52 1ow3 s SER 85 Ca 0.38 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 57.18 1ow3 s SER 85 Cb 0.08 -1.66 1.58 0.00 -1.71 0.00 0.00 66.02 64.30 1ow3 s SER 85 CO 0.13 0.21 2.17 0.40 1.20 0.00 0.00 173.24 177.35 1ow3 h ILE 86 N 4.96 0.65 -0.14 6.45 2.04 -1.37 0.99 117.51 131.08 1ow3 h ILE 86 Ca -0.35 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1ow3 h ILE 86 Cb 1.19 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1ow3 h ILE 86 CO 0.60 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.91 1ow3 n ASP 87 N -3.90 0.92 -3.47 1.72 5.75 -1.26 -0.79 116.55 115.52 1ow3 n ASP 87 Ca -0.03 -1.83 -0.29 0.00 -0.01 0.00 0.00 54.79 52.64 1ow3 n ASP 87 Cb 0.14 -0.09 -0.12 0.00 -1.03 0.00 0.00 41.12 40.02 1ow3 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ow3 s SER 88 N -1.23 2.83 0.49 -1.12 0.15 0.34 -4.90 113.70 110.26 1ow3 s SER 88 Ca 0.19 -2.31 0.22 0.00 0.70 0.00 0.00 55.95 54.75 1ow3 s SER 88 Cb 0.10 -0.44 1.28 0.00 -1.71 0.00 0.00 66.02 65.25 1ow3 s SER 88 CO 0.14 -0.29 1.95 -0.65 1.20 0.00 0.00 173.24 175.59 1ow3 h PRO 89 N 6.84 0.16 -0.90 5.44 0.11 -1.80 -0.28 132.00 141.57 1ow3 h PRO 89 Ca 0.08 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ow3 h PRO 89 Cb 0.96 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1ow3 h PRO 89 CO 0.29 0.10 0.55 -0.44 -0.21 0.00 0.00 178.00 178.29 1ow3 h ASP 90 N 0.16 1.07 0.37 -2.05 3.32 -1.92 -1.47 116.42 115.90 1ow3 h ASP 90 Ca 0.33 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1ow3 h ASP 90 Cb 1.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1ow3 h ASP 90 CO -0.05 0.82 -0.31 0.77 -1.72 0.00 0.00 179.24 178.74 1ow3 h SER 91 N 1.24 0.00 -0.34 6.45 4.64 -1.36 -2.50 113.55 121.68 1ow3 h SER 91 Ca 0.32 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 1ow3 h SER 91 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ow3 h SER 91 CO -0.06 0.31 -0.46 0.25 -0.87 0.00 0.00 176.83 176.00 1ow3 h LEU 92 N 0.00 1.00 -1.58 5.97 5.85 -1.07 -3.02 115.31 122.47 1ow3 h LEU 92 Ca -0.00 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 1ow3 h LEU 92 Cb 0.58 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1ow3 h LEU 92 CO 0.04 1.30 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.25 1ow3 h GLU 93 N 0.73 0.13 0.00 1.25 4.81 -0.88 -1.06 114.58 119.56 1ow3 h GLU 93 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ow3 h GLU 93 Cb 1.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1ow3 h GLU 93 CO 0.11 0.25 0.00 0.09 -0.73 0.00 0.00 179.01 178.73 1ow3 n ASN 94 N -4.34 0.00 0.42 1.04 3.02 -1.03 -3.18 115.26 111.19 1ow3 n ASN 94 Ca -0.01 0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.65 1ow3 n ASN 94 Cb 0.22 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 1ow3 n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ow3 h ILE 95 N 0.00 0.13 0.00 2.41 1.08 -1.21 -0.30 117.51 119.62 1ow3 h ILE 95 Ca 0.00 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1ow3 h ILE 95 Cb 0.26 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 1ow3 h ILE 95 CO 0.00 0.01 -0.38 1.55 -0.69 0.00 0.00 178.15 178.64 1ow3 h PRO 96 N -1.19 0.00 0.00 2.37 0.13 -1.73 0.34 132.00 131.92 1ow3 h PRO 96 Ca -0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.86 1ow3 h PRO 96 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1ow3 h PRO 96 CO 0.18 0.38 -0.99 0.93 -0.23 0.00 0.00 178.00 178.27 1ow3 h GLU 97 N 0.00 0.00 0.00 0.86 5.08 -1.55 -3.40 114.58 115.57 1ow3 h GLU 97 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ow3 h GLU 97 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ow3 h GLU 97 CO 0.05 0.50 -0.00 1.17 -1.00 0.00 0.00 179.01 179.73 1ow3 n LYS 98 N -3.11 0.00 -0.16 2.33 0.00 -0.18 -4.84 118.16 112.20 1ow3 n LYS 98 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.17 1ow3 n LYS 98 Cb 0.83 -0.29 -0.00 0.00 0.00 0.00 0.00 35.03 35.56 1ow3 n LYS 98 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1ow3 h TRP 99 N 0.00 0.95 0.22 5.64 4.06 -1.34 -2.75 115.95 122.73 1ow3 h TRP 99 Ca 0.00 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 1ow3 h TRP 99 Cb 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 27.92 1ow3 h TRP 99 CO 0.00 0.92 -0.11 1.15 -3.56 0.00 0.00 178.44 176.84 1ow3 h THR 100 N 0.70 0.85 -0.99 1.49 2.02 -1.17 -0.43 112.91 115.38 1ow3 h THR 100 Ca 0.13 -0.44 0.11 0.00 0.77 0.00 0.00 66.41 66.97 1ow3 h THR 100 Cb 0.58 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 1ow3 h THR 100 CO 0.03 0.10 0.63 -0.65 0.37 0.00 0.00 175.52 176.00 1ow3 h PRO 101 N -0.52 1.00 0.02 6.66 0.11 -1.77 0.59 132.00 138.09 1ow3 h PRO 101 Ca -0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ow3 h PRO 101 Cb 0.39 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ow3 h PRO 101 CO 0.05 0.66 -0.01 1.49 -0.21 0.00 0.00 178.00 179.98 1ow3 h GLU 102 N 1.03 -0.03 -0.61 1.05 4.81 -1.32 -2.44 114.58 117.06 1ow3 h GLU 102 Ca 0.48 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.63 1ow3 h GLU 102 Cb 0.40 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ow3 h GLU 102 CO -0.24 0.23 0.06 0.28 -0.73 0.00 0.00 179.01 178.61 1ow3 h VAL 103 N -0.29 1.26 -0.04 0.32 2.07 -0.77 -2.10 116.25 116.71 1ow3 h VAL 103 Ca -0.00 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1ow3 h VAL 103 Cb 0.27 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1ow3 h VAL 103 CO 0.01 0.39 -0.30 0.11 0.02 0.00 0.00 177.57 177.79 1ow3 h LYS 104 N 0.95 0.06 -0.01 1.57 1.79 -0.90 0.20 116.57 120.23 1ow3 h LYS 104 Ca 0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1ow3 h LYS 104 Cb 0.46 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1ow3 h LYS 104 CO 0.02 0.36 -0.04 1.25 -1.08 0.00 0.00 179.45 179.95 1ow3 h HIS 105 N 0.06 0.07 0.00 -1.35 2.76 -1.10 -3.22 115.15 112.36 1ow3 h HIS 105 Ca 0.01 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1ow3 h HIS 105 Cb 0.56 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1ow3 h HIS 105 CO 0.00 0.68 -0.86 0.74 -1.30 0.00 0.00 177.93 177.19 1ow3 h PHE 106 N -0.56 0.00 -2.10 5.26 0.04 -1.34 -3.40 116.94 114.84 1ow3 h PHE 106 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1ow3 h PHE 106 Cb 0.68 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.42 1ow3 h PHE 106 CO 0.15 0.21 -1.00 0.00 -0.60 0.00 0.00 178.31 177.06 1ow3 s PRO 108 N -2.74 4.12 0.00 0.00 0.04 -1.22 -2.18 135.00 133.03 1ow3 s PRO 108 Ca 0.43 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1ow3 s PRO 108 Cb 0.32 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1ow3 s PRO 108 CO -0.10 -0.56 0.00 0.09 0.04 0.00 0.00 177.00 176.47 1ow3 n ASN 109 N 1.18 -0.54 -4.70 6.66 3.02 -1.26 -4.98 115.26 114.64 1ow3 n ASN 109 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1ow3 n ASN 109 Cb 0.39 -1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 38.39 1ow3 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ow3 s VAL 110 N -2.61 4.96 0.42 2.41 1.01 -0.92 -5.02 120.40 120.65 1ow3 s VAL 110 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 1ow3 s VAL 110 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1ow3 s VAL 110 CO 0.00 0.16 1.39 -2.16 0.00 0.00 0.00 175.10 174.49 1ow3 s PRO 111 N 1.28 3.87 -0.11 2.72 0.04 -1.26 -4.81 135.00 136.73 1ow3 s PRO 111 Ca 0.41 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.82 1ow3 s PRO 111 Cb -0.18 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1ow3 s PRO 111 CO 0.18 -0.64 -0.15 0.42 0.04 0.00 0.00 177.00 176.85 1ow3 s ILE 112 N -1.20 2.90 -0.24 0.56 1.01 -1.26 -1.31 121.20 121.65 1ow3 s ILE 112 Ca 0.58 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 1ow3 s ILE 112 Cb -0.42 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1ow3 s ILE 112 CO 0.55 0.54 0.10 -0.63 0.00 0.00 0.00 174.94 175.51 1ow3 s ILE 113 N 0.13 4.72 -0.18 2.92 -1.09 0.12 -0.21 121.20 127.61 1ow3 s ILE 113 Ca -0.08 -0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 1ow3 s ILE 113 Cb -0.15 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1ow3 s ILE 113 CO 0.05 0.34 0.74 -0.22 -1.23 0.00 0.00 174.94 174.62 1ow3 s LEU 114 N 1.39 4.17 -0.14 2.97 2.96 -0.49 -1.26 118.68 128.28 1ow3 s LEU 114 Ca 0.06 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1ow3 s LEU 114 Cb -0.15 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.46 1ow3 s LEU 114 CO 0.05 -0.34 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.85 1ow3 s VAL 115 N 2.00 2.24 -0.46 1.68 1.01 0.02 -1.63 120.40 125.27 1ow3 s VAL 115 Ca 0.34 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1ow3 s VAL 115 Cb -0.16 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1ow3 s VAL 115 CO 0.12 0.54 0.57 -0.83 0.00 0.00 0.00 175.10 175.49 1ow3 s GLY 116 N 0.76 1.80 0.62 4.51 0.00 -0.03 -1.74 107.32 113.24 1ow3 s GLY 116 Ca -0.08 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.10 1ow3 s GLY 116 CO -0.00 1.39 0.91 -1.31 0.00 0.00 0.00 173.10 174.08 1ow3 s ASN 117 N 2.18 5.24 -1.37 1.64 0.01 -0.23 -1.15 114.94 121.25 1ow3 s ASN 117 Ca 0.16 0.45 -0.09 0.00 -0.71 0.00 0.00 52.86 52.68 1ow3 s ASN 117 Cb -0.17 -1.31 0.02 0.00 0.41 0.00 0.00 41.25 40.20 1ow3 s ASN 117 CO 0.15 -1.27 1.17 0.29 -1.51 0.00 0.00 177.10 175.92 1ow3 n LYS 118 N -2.64 -7.75 0.11 -0.60 5.02 -0.96 -1.10 118.16 110.24 1ow3 n LYS 118 Ca 0.06 0.81 0.18 0.00 -2.02 0.00 0.00 58.31 57.34 1ow3 n LYS 118 Cb 0.59 -5.85 0.75 0.00 -0.02 0.00 0.00 35.03 30.50 1ow3 n LYS 118 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ow3 h LYS 119 N -2.64 0.00 0.00 1.97 3.64 -1.50 -1.07 116.57 116.97 1ow3 h LYS 119 Ca -0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1ow3 h LYS 119 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1ow3 h LYS 119 CO 0.57 0.00 0.00 0.38 -2.27 0.00 0.00 179.45 178.13 1ow3 h ASP 120 N 0.00 0.00 0.24 4.20 2.03 -1.90 -2.00 116.42 119.00 1ow3 h ASP 120 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1ow3 h ASP 120 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 1ow3 h ASP 120 CO -0.00 0.00 -0.30 0.18 -1.03 0.00 0.00 179.24 178.09 1ow3 n LEU 121 N -2.39 1.03 -0.28 0.15 4.77 -0.41 -4.27 117.00 115.61 1ow3 n LEU 121 Ca 0.00 -0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1ow3 n LEU 121 Cb 0.16 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.25 1ow3 n LEU 121 CO 0.17 0.20 1.15 -0.09 -1.33 0.00 0.00 177.39 177.49 1ow3 h ARG 122 N 1.15 0.83 -0.38 3.23 2.43 -1.52 -2.44 114.38 117.69 1ow3 h ARG 122 Ca 0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1ow3 h ARG 122 Cb 0.52 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1ow3 h ARG 122 CO 0.00 0.55 0.04 0.09 -1.51 0.00 0.00 179.97 179.13 1ow3 n ASN 123 N -4.69 3.66 -4.70 -3.80 3.02 -1.26 -4.81 115.26 102.68 1ow3 n ASN 123 Ca 0.11 -3.27 -0.41 0.00 -0.03 0.00 0.00 54.58 50.97 1ow3 n ASN 123 Cb 0.18 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 1ow3 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ow3 s ASP 124 N -1.95 7.16 0.14 6.41 -1.08 -0.92 -4.97 116.67 121.46 1ow3 s ASP 124 Ca 0.45 1.41 -0.17 0.00 -0.52 0.00 0.00 52.55 53.72 1ow3 s ASP 124 Cb 0.38 -2.50 0.01 0.00 -1.46 0.00 0.00 42.92 39.34 1ow3 s ASP 124 CO 0.07 -0.28 1.77 -0.33 0.52 0.00 0.00 175.17 176.92 1ow3 h GLU 125 N 6.95 0.31 -0.55 4.34 5.08 -1.94 -1.94 114.58 126.83 1ow3 h GLU 125 Ca -0.37 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1ow3 h GLU 125 Cb 1.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1ow3 h GLU 125 CO 0.79 0.20 0.36 0.45 -1.00 0.00 0.00 179.01 179.81 1ow3 h HIS 126 N 0.31 0.67 -0.30 4.33 3.86 -1.96 -1.22 115.15 120.84 1ow3 h HIS 126 Ca 0.13 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1ow3 h HIS 126 Cb 0.05 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1ow3 h HIS 126 CO -0.10 0.41 0.11 1.15 0.86 0.00 0.00 177.93 180.36 1ow3 h THR 127 N 0.72 0.93 -0.83 2.45 2.02 -1.82 0.79 112.91 117.18 1ow3 h THR 127 Ca 0.21 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 1ow3 h THR 127 Cb -0.05 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1ow3 h THR 127 CO -0.06 0.05 0.39 0.03 0.37 0.00 0.00 175.52 176.30 1ow3 h ARG 128 N 0.25 1.19 -0.20 6.66 3.08 -1.05 -1.20 114.38 123.11 1ow3 h ARG 128 Ca 0.13 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ow3 h ARG 128 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ow3 h ARG 128 CO -0.13 0.92 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 1ow3 h ARG 129 N 1.17 0.30 -0.51 0.04 3.08 -0.76 -0.97 114.38 116.73 1ow3 h ARG 129 Ca 0.28 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ow3 h ARG 129 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1ow3 h ARG 129 CO -0.04 0.39 0.32 1.49 -1.07 0.00 0.00 179.97 181.06 1ow3 h GLU 130 N 0.16 0.69 -0.20 0.04 4.81 -0.55 -2.73 114.58 116.79 1ow3 h GLU 130 Ca 0.07 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1ow3 h GLU 130 Cb 0.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ow3 h GLU 130 CO -0.00 0.49 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.24 1ow3 h LEU 131 N 0.69 0.54 -1.47 1.64 3.38 -1.18 -3.01 115.31 115.90 1ow3 h LEU 131 Ca 0.18 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1ow3 h LEU 131 Cb -0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1ow3 h LEU 131 CO -0.04 0.92 0.45 0.00 0.09 0.00 0.00 178.44 179.86 1ow3 h ALA 132 N 1.10 1.81 -0.16 1.53 0.00 -0.87 0.77 119.26 123.44 1ow3 h ALA 132 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ow3 h ALA 132 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ow3 h ALA 132 CO 0.08 0.06 0.13 0.87 0.00 0.00 0.00 179.25 180.40 1ow3 h LYS 133 N 0.63 0.00 -0.54 0.00 6.56 -1.38 0.11 116.57 121.95 1ow3 h LYS 133 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1ow3 h LYS 133 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1ow3 h LYS 133 CO -0.10 0.00 0.00 -1.33 -2.06 0.00 0.00 179.45 175.96 1ow3 n MET 134 N -4.30 3.88 -3.61 3.15 2.81 0.06 -4.93 117.12 114.18 1ow3 n MET 134 Ca 0.01 -2.91 -0.25 0.00 -1.81 0.00 0.00 57.70 52.75 1ow3 n MET 134 Cb 0.26 -1.95 0.07 0.00 -0.71 0.00 0.00 33.22 30.89 1ow3 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ow3 n LYS 135 N 0.65 -7.60 -4.47 0.03 4.01 0.38 -4.99 118.16 106.17 1ow3 n LYS 135 Ca 0.25 0.81 -0.23 0.00 -0.51 0.00 0.00 58.31 58.63 1ow3 n LYS 135 Cb 0.95 -5.84 -0.10 0.00 -0.51 0.00 0.00 35.03 29.53 1ow3 n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1ow3 s GLN 136 N -6.33 1.72 0.17 1.97 -0.21 -0.04 -4.98 119.66 111.96 1ow3 s GLN 136 Ca 0.59 -1.97 -0.09 0.00 0.02 0.00 0.00 55.36 53.91 1ow3 s GLN 136 Cb -0.26 -0.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.88 1ow3 s GLN 136 CO 0.73 -0.24 0.29 -1.83 -2.12 0.00 0.00 175.29 172.12 1ow3 s GLU 137 N -3.86 1.19 0.69 2.91 -1.05 -1.26 -3.14 118.70 114.17 1ow3 s GLU 137 Ca 0.34 -1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 53.78 1ow3 s GLU 137 Cb 0.08 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1ow3 s GLU 137 CO 0.15 -0.44 1.26 -2.14 0.95 0.00 0.00 175.26 175.05 1ow3 s PRO 138 N -3.98 2.34 0.22 -4.83 0.02 -1.26 -4.61 135.00 122.90 1ow3 s PRO 138 Ca 0.19 1.96 -0.31 0.00 0.02 0.00 0.00 61.00 62.86 1ow3 s PRO 138 Cb 0.03 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.61 1ow3 s PRO 138 CO 0.01 -1.73 1.59 0.08 -0.33 0.00 0.00 177.00 176.62 1ow3 s VAL 139 N -1.62 2.37 0.30 3.83 1.01 0.03 -4.99 120.40 121.34 1ow3 s VAL 139 Ca 0.80 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1ow3 s VAL 139 Cb -0.35 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1ow3 s VAL 139 CO 0.42 0.03 0.70 -0.54 0.00 0.00 0.00 175.10 175.72 1ow3 s LYS 140 N 0.53 3.98 0.28 2.72 1.02 -1.26 -4.98 119.74 122.04 1ow3 s LYS 140 Ca 0.68 0.61 0.02 0.00 0.02 0.00 0.00 55.97 57.30 1ow3 s LYS 140 Cb -0.46 -2.49 0.61 0.00 -0.52 0.00 0.00 37.83 34.98 1ow3 s LYS 140 CO 0.37 0.19 1.79 -1.35 -0.92 0.00 0.00 175.35 175.44 1ow3 h PRO 141 N 2.36 0.78 -0.17 -1.68 0.11 -2.00 -0.57 132.00 130.83 1ow3 h PRO 141 Ca -0.48 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ow3 h PRO 141 Cb 1.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ow3 h PRO 141 CO 0.66 0.51 -0.20 1.49 -0.21 0.00 0.00 178.00 180.26 1ow3 h GLU 142 N 0.80 0.29 -0.26 1.05 4.81 -1.99 -1.64 114.58 117.64 1ow3 h GLU 142 Ca 0.52 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.55 1ow3 h GLU 142 Cb 0.68 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1ow3 h GLU 142 CO -0.33 0.48 -0.31 0.93 -0.73 0.00 0.00 179.01 179.05 1ow3 h GLU 143 N 0.26 0.53 -0.17 1.92 5.08 -1.50 0.20 114.58 120.91 1ow3 h GLU 143 Ca 0.05 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1ow3 h GLU 143 Cb 0.50 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ow3 h GLU 143 CO 0.03 0.78 -0.09 0.78 -1.00 0.00 0.00 179.01 179.52 1ow3 h GLY 144 N 1.04 0.38 1.01 -3.84 0.00 -1.05 -2.20 103.07 98.41 1ow3 h GLY 144 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ow3 h GLY 144 CO 0.06 0.32 0.54 -0.09 0.00 0.00 0.00 176.54 177.36 1ow3 h ARG 145 N 0.02 1.10 -0.94 4.80 2.43 -1.12 -0.97 114.38 119.71 1ow3 h ARG 145 Ca 0.04 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ow3 h ARG 145 Cb 0.57 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1ow3 h ARG 145 CO 0.03 0.74 0.56 -0.44 -1.51 0.00 0.00 179.97 179.35 1ow3 h ASP 146 N 1.13 1.13 -0.49 -3.80 3.32 -0.89 -1.13 116.42 115.68 1ow3 h ASP 146 Ca 0.30 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1ow3 h ASP 146 Cb -0.11 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1ow3 h ASP 146 CO -0.06 0.87 -0.20 -0.03 -1.72 0.00 0.00 179.24 178.10 1ow3 h MET 147 N 1.29 1.01 -0.88 3.56 4.05 -0.73 -0.24 114.93 122.99 1ow3 h MET 147 Ca 0.34 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1ow3 h MET 147 Cb -0.05 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 1ow3 h MET 147 CO -0.06 1.10 0.57 0.00 0.23 0.00 0.00 176.91 178.75 1ow3 h ALA 148 N 0.88 1.12 -0.54 0.39 0.00 -0.74 -1.14 119.26 119.24 1ow3 h ALA 148 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ow3 h ALA 148 Cb 0.78 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ow3 h ALA 148 CO 0.06 0.55 0.05 -0.91 0.00 0.00 0.00 179.25 179.00 1ow3 h ASN 149 N 1.21 0.89 -0.30 0.00 2.35 -0.93 -0.78 115.58 118.01 1ow3 h ASN 149 Ca 0.32 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1ow3 h ASN 149 Cb -0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 1ow3 h ASN 149 CO -0.07 0.95 0.14 -0.09 -1.65 0.00 0.00 177.43 176.71 1ow3 h ARG 150 N 0.80 0.29 -0.01 0.81 2.43 -0.41 -2.77 114.38 115.52 1ow3 h ARG 150 Ca 0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ow3 h ARG 150 Cb 0.46 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ow3 h ARG 150 CO 0.02 0.19 0.00 0.44 -1.51 0.00 0.00 179.97 179.11 1ow3 n ILE 151 N -4.97 0.00 -2.61 1.20 -5.35 -0.49 -4.91 119.36 102.23 1ow3 n ILE 151 Ca -0.01 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 1ow3 n ILE 151 Cb 0.08 0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.04 1ow3 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ow3 n GLY 152 N 1.09 0.25 3.77 3.28 0.00 -1.01 -5.01 105.19 107.56 1ow3 n GLY 152 Ca 0.21 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1ow3 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ow3 s ALA 153 N -2.83 2.47 0.23 4.61 0.00 -0.33 -4.80 121.76 121.11 1ow3 s ALA 153 Ca 0.13 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1ow3 s ALA 153 Cb -0.06 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.96 1ow3 s ALA 153 CO 0.17 -1.26 1.65 0.35 0.00 0.00 0.00 175.76 176.66 1ow3 h PHE 154 N 0.15 0.80 -2.52 0.00 3.04 -0.92 -3.46 116.94 114.03 1ow3 h PHE 154 Ca -0.47 -0.18 0.15 0.00 3.98 0.00 0.00 57.97 61.44 1ow3 h PHE 154 Cb 1.25 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.52 1ow3 h PHE 154 CO 0.54 0.87 0.51 0.20 -2.02 0.00 0.00 178.31 178.40 1ow3 s GLY 155 N -3.89 0.01 -0.05 2.40 0.00 -1.23 -5.06 107.32 99.50 1ow3 s GLY 155 Ca -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.46 1ow3 s GLY 155 CO 0.83 1.12 -0.14 -0.47 0.00 0.00 0.00 173.10 174.44 1ow3 s TYR 156 N -2.64 1.50 -0.00 1.90 5.04 -1.26 -1.39 117.35 120.49 1ow3 s TYR 156 Ca 0.17 -0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 54.31 1ow3 s TYR 156 Cb -0.02 -1.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.23 1ow3 s TYR 156 CO 0.05 -0.21 0.02 -1.64 -1.34 0.00 0.00 175.55 172.44 1ow3 s MET 157 N 0.32 0.14 0.07 4.97 -1.94 -0.65 -4.98 119.30 117.24 1ow3 s MET 157 Ca -0.08 -0.16 0.05 0.00 -1.71 0.00 0.00 55.69 53.79 1ow3 s MET 157 Cb -0.13 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.73 1ow3 s MET 157 CO 0.03 -0.02 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.77 1ow3 s GLU 158 N -0.47 2.46 0.22 2.03 2.02 -1.26 -0.85 118.70 122.84 1ow3 s GLU 158 Ca -0.05 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 1ow3 s GLU 158 Cb -0.03 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1ow3 s GLU 158 CO -0.00 0.55 0.55 0.00 0.02 0.00 0.00 175.26 176.37 1ow3 s SER 160 N -2.91 2.97 0.40 0.00 0.15 0.35 -1.49 113.70 113.17 1ow3 s SER 160 Ca 0.12 -0.83 0.09 0.00 0.70 0.00 0.00 55.95 56.03 1ow3 s SER 160 Cb -0.02 -0.68 0.81 0.00 -1.71 0.00 0.00 66.02 64.43 1ow3 s SER 160 CO 0.01 -0.29 1.96 0.00 1.20 0.00 0.00 173.24 176.12 1ow3 h ALA 161 N 8.20 1.57 -0.69 5.45 0.00 -1.90 0.36 119.26 132.24 1ow3 h ALA 161 Ca -0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1ow3 h ALA 161 Cb 1.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1ow3 h ALA 161 CO 0.35 0.32 0.26 -0.22 0.00 0.00 0.00 179.25 179.95 1ow3 h LYS 162 N 0.32 1.05 -0.01 0.00 3.64 -1.94 -3.18 116.57 116.46 1ow3 h LYS 162 Ca 0.07 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ow3 h LYS 162 Cb 0.24 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ow3 h LYS 162 CO 0.01 0.89 -0.51 0.25 -2.27 0.00 0.00 179.45 177.81 1ow3 n THR 163 N -4.35 0.00 -0.11 1.00 -2.24 -1.12 -4.97 114.28 102.49 1ow3 n THR 163 Ca 0.05 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ow3 n THR 163 Cb 0.19 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1ow3 n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ow3 n LYS 164 N -0.69 0.00 -1.68 -0.78 5.02 0.12 -4.99 118.16 115.16 1ow3 n LYS 164 Ca 0.05 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 55.85 1ow3 n LYS 164 Cb 0.29 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1ow3 n LYS 164 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ow3 n ASP 165 N 0.00 3.31 0.00 4.39 2.03 -1.14 -2.08 116.55 123.06 1ow3 n ASP 165 Ca 0.00 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1ow3 n ASP 165 Cb 0.00 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 1ow3 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ow3 n GLY 166 N 4.22 2.25 0.11 0.27 0.00 -1.26 -0.49 105.19 110.28 1ow3 n GLY 166 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ow3 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ow3 h VAL 167 N 0.00 1.14 -0.84 1.61 2.07 -1.71 -2.28 116.25 116.25 1ow3 h VAL 167 Ca 0.00 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1ow3 h VAL 167 Cb 0.00 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1ow3 h VAL 167 CO 0.00 0.13 0.52 -0.09 0.02 0.00 0.00 177.57 178.15 1ow3 h ARG 168 N 0.15 0.92 -0.21 1.57 2.43 -1.91 -2.10 114.38 115.23 1ow3 h ARG 168 Ca 0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1ow3 h ARG 168 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ow3 h ARG 168 CO -0.01 0.61 -0.14 0.93 -1.51 0.00 0.00 179.97 179.85 1ow3 h GLU 169 N 0.95 0.35 -0.18 0.20 3.07 -1.90 -0.97 114.58 116.11 1ow3 h GLU 169 Ca 0.36 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1ow3 h GLU 169 Cb 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1ow3 h GLU 169 CO -0.17 0.49 0.08 0.28 -1.40 0.00 0.00 179.01 178.29 1ow3 h VAL 170 N 0.33 1.14 0.00 3.13 2.07 -0.80 -1.36 116.25 120.76 1ow3 h VAL 170 Ca 0.06 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1ow3 h VAL 170 Cb 0.44 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ow3 h VAL 170 CO 0.03 0.14 -0.57 -0.26 0.02 0.00 0.00 177.57 176.92 1ow3 h PHE 171 N 0.15 0.00 -0.22 1.57 0.04 -1.30 -1.16 116.94 116.02 1ow3 h PHE 171 Ca 0.06 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1ow3 h PHE 171 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1ow3 h PHE 171 CO -0.02 0.57 -0.10 0.93 -0.60 0.00 0.00 178.31 179.09 1ow3 h GLU 172 N 0.00 0.47 -0.45 1.51 5.08 -1.06 -1.20 114.58 118.92 1ow3 h GLU 172 Ca -0.01 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1ow3 h GLU 172 Cb 1.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1ow3 h GLU 172 CO 0.07 0.74 0.25 1.98 -1.00 0.00 0.00 179.01 181.05 1ow3 h MET 173 N 0.18 0.63 -0.94 2.33 4.05 -1.15 -1.47 114.93 118.56 1ow3 h MET 173 Ca 0.05 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1ow3 h MET 173 Cb 0.60 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 1ow3 h MET 173 CO 0.03 0.50 0.62 0.00 0.23 0.00 0.00 176.91 178.29 1ow3 h ALA 174 N 1.10 1.35 -0.28 0.39 0.00 -1.11 -0.86 119.26 119.85 1ow3 h ALA 174 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ow3 h ALA 174 Cb 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ow3 h ALA 174 CO -0.03 0.59 -0.16 1.15 0.00 0.00 0.00 179.25 180.81 1ow3 h THR 175 N 1.25 1.30 -0.66 0.00 2.02 -0.89 0.37 112.91 116.30 1ow3 h THR 175 Ca 0.35 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.30 1ow3 h THR 175 Cb -0.11 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1ow3 h THR 175 CO -0.08 0.40 0.44 0.03 0.37 0.00 0.00 175.52 176.68 1ow3 h ARG 176 N 0.34 0.78 -0.02 6.66 3.08 -0.96 0.65 114.38 124.91 1ow3 h ARG 176 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ow3 h ARG 176 Cb 0.68 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ow3 h ARG 176 CO 0.05 0.52 -0.01 0.00 -1.07 0.00 0.00 179.97 179.45 1ow3 h ALA 177 N 1.61 0.03 -0.49 0.04 0.00 -0.87 -3.00 119.26 116.59 1ow3 h ALA 177 Ca 0.26 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1ow3 h ALA 177 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ow3 h ALA 177 CO -0.07 -0.26 0.34 0.00 0.00 0.00 0.00 179.25 179.27 1ow3 h ALA 178 N 0.61 2.29 -2.13 0.00 0.00 -0.36 -2.63 119.26 117.05 1ow3 h ALA 178 Ca 0.01 -0.01 -0.80 0.00 0.00 0.00 0.00 54.91 54.10 1ow3 h ALA 178 Cb 0.42 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.94 1ow3 h ALA 178 CO 0.00 -0.42 0.73 1.28 0.00 0.00 0.00 179.25 180.85 1ow3 n LEU 179 N -4.43 6.03 -3.79 0.00 4.77 0.17 -4.89 117.00 114.86 1ow3 n LEU 179 Ca 0.08 -5.09 -0.13 0.00 -0.03 0.00 0.00 56.01 50.85 1ow3 n LEU 179 Cb 0.47 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 1ow3 n LEU 179 CO 0.36 1.50 -0.06 -1.10 -1.33 0.00 0.00 177.39 176.75 1ow3 s GLN 180 N -1.86 0.40 0.00 3.23 -1.52 -0.99 -4.80 119.66 114.12 1ow3 s GLN 180 Ca 0.32 0.18 0.11 0.00 -1.95 0.00 0.00 55.36 54.02 1ow3 s GLN 180 Cb -0.01 0.19 0.66 0.00 -0.22 0.00 0.00 33.01 33.62 1ow3 s GLN 180 CO 0.02 -0.07 1.10 0.00 -0.25 0.00 0.00 175.29 176.08