#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di0 s HIS 3 N 0.00 1.48 0.20 1.09 4.02 -1.26 -4.67 115.29 116.15 3di0 s HIS 3 Ca 0.00 -0.46 -0.10 0.00 1.02 0.00 0.00 55.06 55.51 3di0 s HIS 3 Cb 0.00 -0.81 0.18 0.00 -1.02 0.00 0.00 32.58 30.93 3di0 s HIS 3 CO 0.00 0.14 1.84 -0.07 1.02 0.00 0.00 174.74 177.67 3di0 h LEU 4 N 4.01 0.70 -7.62 0.89 3.38 -1.99 -3.47 115.31 111.21 3di0 h LEU 4 Ca -0.43 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.70 3di0 h LEU 4 Cb 1.19 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 3di0 h LEU 4 CO 0.42 0.49 0.45 0.72 0.09 0.00 0.00 178.44 180.61 3di0 s PHE 5 N -6.12 -0.17 0.06 1.13 -0.12 -1.26 -4.75 117.98 106.75 3di0 s PHE 5 Ca -0.13 -0.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 3di0 s PHE 5 Cb 0.15 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.15 3di0 s PHE 5 CO 0.77 -0.85 -0.11 -1.21 -0.05 0.00 0.00 175.22 173.76 3di0 s GLU 6 N -3.36 0.68 1.55 1.99 2.02 -1.26 -4.95 118.70 115.37 3di0 s GLU 6 Ca 0.11 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3di0 s GLU 6 Cb -0.02 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.66 3di0 s GLU 6 CO 0.01 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.82 3di0 n GLY 7 N 1.33 0.53 3.61 -1.39 0.00 -0.34 -4.82 105.19 104.10 3di0 n GLY 7 Ca -0.22 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3di0 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3di0 s VAL 8 N 0.00 4.99 -0.02 1.61 1.01 -1.26 -1.34 120.40 125.39 3di0 s VAL 8 Ca 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3di0 s VAL 8 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3di0 s VAL 8 CO 0.00 -0.03 0.18 -0.83 0.00 0.00 0.00 175.10 174.42 3di0 s GLY 9 N 1.58 2.18 -0.24 4.51 0.00 0.12 -1.16 107.32 114.30 3di0 s GLY 9 Ca 0.24 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 3di0 s GLY 9 CO 0.10 -0.62 0.23 0.14 0.00 0.00 0.00 173.10 172.95 3di0 s VAL 10 N -1.30 5.31 -1.06 1.40 1.01 -0.63 0.12 120.40 125.25 3di0 s VAL 10 Ca 0.26 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 3di0 s VAL 10 Cb -0.13 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3di0 s VAL 10 CO 0.17 0.31 1.50 0.00 0.00 0.00 0.00 175.10 177.07 3di0 s ALA 11 N 1.24 2.78 0.24 5.51 0.00 -0.20 -1.12 121.76 130.21 3di0 s ALA 11 Ca 0.10 -2.34 -0.31 0.00 0.00 0.00 0.00 51.96 49.41 3di0 s ALA 11 Cb -0.14 -4.55 -0.11 0.00 0.00 0.00 0.00 23.12 18.32 3di0 s ALA 11 CO 0.06 -3.59 1.56 -1.17 0.00 0.00 0.00 175.76 172.62 3di0 s LEU 12 N 4.93 4.37 0.61 0.00 2.96 -0.62 -4.68 118.68 126.26 3di0 s LEU 12 Ca 0.47 2.78 -0.13 0.00 -0.22 0.00 0.00 54.13 57.04 3di0 s LEU 12 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 3di0 s LEU 12 CO -0.07 -0.84 1.03 0.42 -1.32 0.00 0.00 176.35 175.57 3di0 s THR 13 N 0.41 4.36 -0.27 3.68 -4.23 -1.26 -2.92 115.64 115.41 3di0 s THR 13 Ca 0.65 0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 61.95 3di0 s THR 13 Cb -0.45 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 3di0 s THR 13 CO 0.41 -0.88 0.17 -0.89 -0.54 0.00 0.00 174.62 172.89 3di0 s THR 14 N -2.92 5.21 -0.20 3.99 2.01 -1.26 -4.87 115.64 117.60 3di0 s THR 14 Ca 0.58 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 3di0 s THR 14 Cb -0.12 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 3di0 s THR 14 CO 0.47 0.28 0.94 -2.16 -0.69 0.00 0.00 174.62 173.46 3di0 s PRO 15 N 1.59 4.28 -0.08 4.92 0.04 -1.26 -5.03 135.00 139.45 3di0 s PRO 15 Ca 0.07 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 3di0 s PRO 15 Cb -0.15 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 3di0 s PRO 15 CO 0.09 -0.48 0.00 -0.06 0.04 0.00 0.00 177.00 176.59 3di0 s PHE 16 N 2.66 3.16 -0.19 0.56 2.99 -1.26 -0.96 117.98 124.94 3di0 s PHE 16 Ca 0.41 0.19 0.00 0.00 0.00 0.00 0.00 56.93 57.53 3di0 s PHE 16 Cb -0.16 -1.78 0.05 0.00 0.00 0.00 0.00 43.02 41.13 3di0 s PHE 16 CO 0.10 0.47 -0.07 0.99 -0.00 0.00 0.00 175.22 176.71 3di0 s THR 17 N -0.90 1.38 -1.50 0.64 2.01 0.30 -0.21 115.64 117.35 3di0 s THR 17 Ca 0.14 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 3di0 s THR 17 Cb -0.11 -1.54 0.07 0.00 0.01 0.00 0.00 72.50 70.93 3di0 s THR 17 CO 0.03 0.10 0.98 -3.20 -0.69 0.00 0.00 174.62 171.84 3di0 n ASN 18 N 4.77 -4.68 0.00 3.53 5.15 -1.26 -0.65 115.26 122.11 3di0 n ASN 18 Ca -0.13 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 3di0 n ASN 18 Cb 0.47 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.72 3di0 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3di0 n ASN 19 N -2.87 -4.24 -4.84 1.20 4.05 -1.26 -5.01 115.26 102.29 3di0 n ASN 19 Ca 0.01 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.71 3di0 n ASN 19 Cb 0.54 -2.23 -0.06 0.00 1.23 0.00 0.00 39.78 39.26 3di0 n ASN 19 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3di0 s LYS 20 N -1.15 3.26 0.15 1.20 1.02 0.17 -5.04 119.74 119.36 3di0 s LYS 20 Ca 0.00 -0.37 -0.31 0.00 0.02 0.00 0.00 55.97 55.31 3di0 s LYS 20 Cb 0.00 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 3di0 s LYS 20 CO 0.00 0.68 1.44 0.08 -0.92 0.00 0.00 175.35 176.63 3di0 s VAL 21 N -1.21 3.03 -0.42 3.17 1.01 -1.26 -0.54 120.40 124.18 3di0 s VAL 21 Ca 0.23 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 3di0 s VAL 21 Cb -0.12 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.85 3di0 s VAL 21 CO 0.14 0.07 0.27 0.21 0.00 0.00 0.00 175.10 175.79 3di0 s ASN 22 N 0.99 5.70 0.10 3.32 3.84 -0.13 -4.87 114.94 123.89 3di0 s ASN 22 Ca 0.65 -1.45 -0.16 0.00 0.21 0.00 0.00 52.86 52.12 3di0 s ASN 22 Cb -0.39 -2.01 -0.07 0.00 -0.55 0.00 0.00 41.25 38.22 3di0 s ASN 22 CO 0.32 -0.54 1.47 0.40 -2.79 0.00 0.00 177.10 175.96 3di0 h ILE 23 N 6.02 1.29 -0.75 -5.21 1.08 -1.93 -1.38 117.51 116.64 3di0 h ILE 23 Ca -0.24 -1.25 -0.00 0.00 -0.39 0.00 0.00 64.86 62.99 3di0 h ILE 23 Cb 1.09 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.26 3di0 h ILE 23 CO 0.76 0.40 0.46 1.05 -0.69 0.00 0.00 178.15 180.13 3di0 h GLU 24 N 0.39 1.00 -0.14 2.37 4.11 -1.99 0.46 114.58 120.77 3di0 h GLU 24 Ca 0.07 -0.08 -0.22 0.00 0.07 0.00 0.00 59.36 59.20 3di0 h GLU 24 Cb 0.67 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3di0 h GLU 24 CO 0.04 0.69 -0.77 0.00 0.07 0.00 0.00 179.01 179.05 3di0 h ALA 25 N 1.48 0.35 -0.37 1.06 0.00 -1.91 -1.15 119.26 118.73 3di0 h ALA 25 Ca 0.27 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3di0 h ALA 25 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3di0 h ALA 25 CO -0.05 0.70 0.22 1.25 0.00 0.00 0.00 179.25 181.36 3di0 h LEU 26 N 0.50 0.45 -0.25 0.00 5.85 -0.80 0.21 115.31 121.28 3di0 h LEU 26 Ca -0.05 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3di0 h LEU 26 Cb 1.39 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3di0 h LEU 26 CO 0.16 0.38 0.03 0.11 -0.34 0.00 0.00 178.44 178.78 3di0 h LYS 27 N 0.48 0.11 -0.55 1.25 1.57 -0.89 -0.78 116.57 117.76 3di0 h LYS 27 Ca 0.13 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3di0 h LYS 27 Cb 0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3di0 h LYS 27 CO -0.02 0.07 0.20 1.15 -0.57 0.00 0.00 179.45 180.27 3di0 h THR 28 N 0.11 1.21 0.36 -0.16 2.02 -0.79 -1.81 112.91 113.86 3di0 h THR 28 Ca 0.12 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3di0 h THR 28 Cb 0.14 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3di0 h THR 28 CO -0.18 0.27 -0.17 -0.74 0.37 0.00 0.00 175.52 175.07 3di0 h HIS 29 N 0.80 -0.44 -0.59 3.16 -0.00 0.01 -2.17 115.15 115.91 3di0 h HIS 29 Ca 0.19 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.66 3di0 h HIS 29 Cb 0.20 0.15 -0.11 0.00 -0.00 0.00 0.00 27.41 27.65 3di0 h HIS 29 CO 0.01 -0.11 -0.12 0.28 -0.00 0.00 0.00 177.93 177.99 3di0 h VAL 30 N -0.85 0.43 -0.83 5.26 2.07 -1.13 0.17 116.25 121.38 3di0 h VAL 30 Ca -0.05 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3di0 h VAL 30 Cb 0.53 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3di0 h VAL 30 CO 0.08 0.00 0.55 0.78 0.02 0.00 0.00 177.57 179.00 3di0 h ASN 31 N 0.02 0.89 -0.42 0.57 -0.26 -1.35 -0.25 115.58 114.79 3di0 h ASN 31 Ca 0.29 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.96 3di0 h ASN 31 Cb 0.45 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 3di0 h ASN 31 CO -0.59 0.62 0.04 0.15 -1.06 0.00 0.00 177.43 176.59 3di0 h PHE 32 N 1.04 0.76 -0.17 1.19 3.57 -0.30 -1.00 116.94 122.02 3di0 h PHE 32 Ca 0.33 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3di0 h PHE 32 Cb 0.02 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3di0 h PHE 32 CO -0.00 0.75 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.74 3di0 h LEU 33 N 0.55 -0.10 -0.85 0.59 4.07 -0.19 -1.94 115.31 117.45 3di0 h LEU 33 Ca 0.12 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 3di0 h LEU 33 Cb 0.42 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3di0 h LEU 33 CO 0.01 -0.02 0.06 -0.07 -1.08 0.00 0.00 178.44 177.34 3di0 h LEU 34 N 0.04 0.88 -1.32 1.67 3.38 -0.85 -2.01 115.31 117.10 3di0 h LEU 34 Ca 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3di0 h LEU 34 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3di0 h LEU 34 CO -0.15 0.91 -0.11 -0.08 0.09 0.00 0.00 178.44 179.10 3di0 h GLU 35 N 0.87 0.00 -0.46 1.13 4.57 -1.07 -3.01 114.58 116.61 3di0 h GLU 35 Ca 0.17 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 3di0 h GLU 35 Cb 0.42 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 3di0 h GLU 35 CO 0.01 0.11 0.08 0.09 -1.18 0.00 0.00 179.01 178.12 3di0 n ASN 36 N -3.26 4.12 -0.30 1.04 3.02 -0.74 -4.97 115.26 114.17 3di0 n ASN 36 Ca 0.00 -3.21 -0.03 0.00 -0.03 0.00 0.00 54.58 51.31 3di0 n ASN 36 Cb 0.36 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 3di0 n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3di0 n ASN 37 N -0.41 -2.73 -4.71 6.41 4.13 -1.09 -2.33 115.26 114.53 3di0 n ASN 37 Ca 0.30 0.05 -0.42 0.00 1.68 0.00 0.00 54.58 56.19 3di0 n ASN 37 Cb 1.11 -1.19 -0.01 0.00 -1.54 0.00 0.00 39.78 38.15 3di0 n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3di0 n ALA 38 N 0.15 1.43 1.00 5.41 0.00 -0.93 -4.86 120.51 122.71 3di0 n ALA 38 Ca -0.04 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.87 3di0 n ALA 38 Cb 0.28 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 3di0 n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3di0 n GLN 39 N 0.62 0.00 -3.54 0.00 1.13 -0.31 -4.82 117.38 110.46 3di0 n GLN 39 Ca 0.05 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.00 3di0 n GLN 39 Cb 0.36 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.17 3di0 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3di0 s ALA 40 N -3.00 -1.87 -0.23 -1.58 0.00 -1.25 -4.00 121.76 109.83 3di0 s ALA 40 Ca 0.09 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 3di0 s ALA 40 Cb 0.16 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3di0 s ALA 40 CO 0.83 -0.45 -0.07 0.42 0.00 0.00 0.00 175.76 176.48 3di0 s ILE 41 N -1.83 2.92 -0.28 0.00 -1.09 -0.80 -1.61 121.20 118.51 3di0 s ILE 41 Ca -0.01 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.41 3di0 s ILE 41 Cb -0.01 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3di0 s ILE 41 CO -0.01 0.29 0.26 -0.63 -1.23 0.00 0.00 174.94 173.62 3di0 s ILE 42 N 1.36 5.26 0.09 2.92 1.09 -0.28 -0.97 121.20 130.67 3di0 s ILE 42 Ca 0.02 0.31 0.06 0.00 -1.10 0.00 0.00 60.65 59.93 3di0 s ILE 42 Cb -0.16 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 3di0 s ILE 42 CO -0.05 0.20 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.25 3di0 s VAL 43 N 1.88 3.70 -1.44 2.92 1.01 0.81 -1.58 120.40 127.69 3di0 s VAL 43 Ca 0.10 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3di0 s VAL 43 Cb -0.16 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.53 3di0 s VAL 43 CO 0.11 0.14 0.70 0.59 0.00 0.00 0.00 175.10 176.64 3di0 n ASN 44 N 0.71 -2.13 -1.20 3.32 3.02 -1.26 -0.64 115.26 117.08 3di0 n ASN 44 Ca -0.12 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3di0 n ASN 44 Cb 0.52 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 3di0 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3di0 n GLY 45 N -1.70 1.26 0.27 7.41 0.00 -1.26 -4.39 105.19 106.78 3di0 n GLY 45 Ca -0.17 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.03 3di0 n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3di0 h THR 46 N -0.09 0.26 -0.02 2.61 1.35 -1.95 -2.28 112.91 112.80 3di0 h THR 46 Ca 0.00 -0.57 -0.12 0.00 -0.55 0.00 0.00 66.41 65.17 3di0 h THR 46 Cb 0.00 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 3di0 h THR 46 CO 0.00 0.08 -0.54 0.74 -0.25 0.00 0.00 175.52 175.55 3di0 h THR 47 N 0.00 1.38 0.00 6.82 2.02 -1.86 0.15 112.91 121.42 3di0 h THR 47 Ca -0.00 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.34 3di0 h THR 47 Cb 0.44 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3di0 h THR 47 CO 0.01 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.43 3di0 n ALA 48 N -2.44 2.66 -3.53 6.16 0.00 -0.95 -4.27 120.51 118.14 3di0 n ALA 48 Ca -0.01 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 3di0 n ALA 48 Cb 0.55 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.59 3di0 n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3di0 n GLU 49 N -0.98 -7.48 0.26 0.00 1.02 0.04 -4.39 120.64 109.11 3di0 n GLU 49 Ca 0.22 0.79 0.10 0.00 -0.02 0.00 0.00 57.16 58.26 3di0 n GLU 49 Cb 0.10 -5.73 0.70 0.00 -0.02 0.00 0.00 31.44 26.50 3di0 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3di0 h SER 50 N -2.50 0.00 0.12 1.62 4.64 -1.64 -2.10 113.55 113.68 3di0 h SER 50 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3di0 h SER 50 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3di0 h SER 50 CO 0.53 0.00 0.00 -0.65 -0.87 0.00 0.00 176.83 175.84 3di0 h PRO 51 N 0.00 0.00 -0.01 4.77 0.11 -1.90 -2.23 132.00 132.74 3di0 h PRO 51 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3di0 h PRO 51 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3di0 h PRO 51 CO -0.00 0.00 -0.03 0.25 -0.21 0.00 0.00 178.00 178.01 3di0 n THR 52 N -2.59 0.00 -2.43 -1.15 -2.24 -0.80 -5.00 114.28 100.07 3di0 n THR 52 Ca -0.02 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 3di0 n THR 52 Cb 0.08 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3di0 n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3di0 s LEU 53 N -0.69 4.31 0.70 3.22 1.43 -0.84 -5.05 118.68 121.76 3di0 s LEU 53 Ca 0.05 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 3di0 s LEU 53 Cb 0.04 -3.93 0.01 0.00 0.03 0.00 0.00 46.19 42.35 3di0 s LEU 53 CO 0.08 -0.43 1.08 0.42 0.23 0.00 0.00 176.35 177.74 3di0 s THR 54 N -1.40 3.67 0.27 5.49 -4.23 -1.26 -4.90 115.64 113.28 3di0 s THR 54 Ca 0.53 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3di0 s THR 54 Cb -0.29 -3.49 0.27 0.00 1.34 0.00 0.00 72.50 70.33 3di0 s THR 54 CO 0.36 -0.71 1.90 0.74 -0.54 0.00 0.00 174.62 176.38 3di0 h THR 55 N -0.65 1.12 -0.04 3.99 2.02 -1.97 -1.92 112.91 115.46 3di0 h THR 55 Ca -0.45 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3di0 h THR 55 Cb 1.24 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3di0 h THR 55 CO 0.63 0.22 0.02 -0.78 0.37 0.00 0.00 175.52 175.98 3di0 h ASP 56 N 1.19 0.04 -0.61 4.18 1.82 -1.99 -1.90 116.42 119.14 3di0 h ASP 56 Ca 0.41 -0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.09 3di0 h ASP 56 Cb 0.11 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 3di0 h ASP 56 CO -0.15 0.06 0.32 -0.33 -1.61 0.00 0.00 179.24 177.53 3di0 h GLU 57 N 0.02 0.58 -0.79 0.28 5.08 -1.84 0.11 114.58 118.01 3di0 h GLU 57 Ca 0.01 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3di0 h GLU 57 Cb 0.02 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 3di0 h GLU 57 CO -0.00 0.38 0.52 0.87 -1.00 0.00 0.00 179.01 179.78 3di0 h LYS 58 N 0.59 0.86 -0.03 2.33 1.57 -1.13 0.16 116.57 120.91 3di0 h LYS 58 Ca 0.28 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3di0 h LYS 58 Cb 0.20 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3di0 h LYS 58 CO -0.19 0.57 -0.17 1.49 -0.57 0.00 0.00 179.45 180.58 3di0 h GLU 59 N 0.88 0.17 -1.00 3.15 4.57 -0.60 -0.60 114.58 121.14 3di0 h GLU 59 Ca 0.34 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.42 3di0 h GLU 59 Cb 0.20 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3di0 h GLU 59 CO -0.12 0.80 0.65 0.00 -1.18 0.00 0.00 179.01 179.17 3di0 h ARG 60 N -0.42 1.21 -0.12 1.92 3.08 -0.36 -1.03 114.38 118.66 3di0 h ARG 60 Ca -0.01 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3di0 h ARG 60 Cb 0.83 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3di0 h ARG 60 CO 0.03 0.80 -0.34 0.82 -1.07 0.00 0.00 179.97 180.21 3di0 h ILE 61 N 1.25 1.38 -0.27 2.04 2.04 -0.62 -2.42 117.51 120.90 3di0 h ILE 61 Ca 0.41 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3di0 h ILE 61 Cb 0.04 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3di0 h ILE 61 CO -0.14 0.49 0.12 0.25 0.00 0.00 0.00 178.15 178.87 3di0 h LEU 62 N 0.02 0.37 -0.61 1.44 5.85 -0.87 -1.66 115.31 119.85 3di0 h LEU 62 Ca -0.01 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3di0 h LEU 62 Cb 0.96 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3di0 h LEU 62 CO 0.07 0.42 0.21 0.50 -0.34 0.00 0.00 178.44 179.31 3di0 h LYS 63 N 0.30 0.94 -0.11 1.25 1.63 -1.23 -0.35 116.57 119.00 3di0 h LYS 63 Ca 0.09 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3di0 h LYS 63 Cb 0.16 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3di0 h LYS 63 CO -0.01 0.82 -0.03 1.15 -3.45 0.00 0.00 179.45 177.92 3di0 h THR 64 N 0.86 0.87 0.40 1.00 2.02 -1.21 -0.43 112.91 116.42 3di0 h THR 64 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3di0 h THR 64 Cb 0.26 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3di0 h THR 64 CO -0.01 0.00 -0.21 0.58 0.37 0.00 0.00 175.52 176.25 3di0 h VAL 65 N -0.01 0.57 -0.48 3.16 2.07 -1.01 -0.10 116.25 120.45 3di0 h VAL 65 Ca 0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 3di0 h VAL 65 Cb 0.10 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 3di0 h VAL 65 CO -0.12 0.00 -0.23 0.40 0.02 0.00 0.00 177.57 177.64 3di0 h ILE 66 N -0.57 0.33 -0.20 4.57 2.04 -0.94 0.17 117.51 122.91 3di0 h ILE 66 Ca -0.05 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 3di0 h ILE 66 Cb 0.45 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3di0 h ILE 66 CO 0.08 0.00 -0.47 0.44 0.00 0.00 0.00 178.15 178.20 3di0 h ASP 67 N -0.13 0.57 0.09 1.72 3.45 -0.87 -1.13 116.42 120.12 3di0 h ASP 67 Ca 0.22 -0.27 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 3di0 h ASP 67 Cb 0.48 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3di0 h ASP 67 CO -0.56 0.95 -0.04 0.25 -1.57 0.00 0.00 179.24 178.27 3di0 h LEU 68 N 0.42 -0.11 -1.06 1.55 5.85 -0.67 -3.23 115.31 118.06 3di0 h LEU 68 Ca 0.02 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.42 3di0 h LEU 68 Cb 0.98 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 3di0 h LEU 68 CO 0.09 0.42 0.62 0.58 -0.34 0.00 0.00 178.44 179.81 3di0 h VAL 69 N -0.68 0.93 -5.98 1.05 2.07 -0.68 -3.46 116.25 109.51 3di0 h VAL 69 Ca -0.01 -0.33 -0.40 0.00 0.82 0.00 0.00 66.70 66.77 3di0 h VAL 69 Cb 0.54 -0.12 0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3di0 h VAL 69 CO 0.02 0.18 -0.79 -0.67 0.02 0.00 0.00 177.57 176.33 3di0 n ASP 70 N -4.59 -2.52 0.00 0.57 2.03 -0.43 -1.31 116.55 110.30 3di0 n ASP 70 Ca 0.18 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.76 3di0 n ASP 70 Cb 0.35 -4.42 0.00 0.00 -0.72 0.00 0.00 41.12 36.32 3di0 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3di0 n LYS 71 N -4.38 -0.49 -0.03 -0.67 4.76 -1.26 -4.91 118.16 111.17 3di0 n LYS 71 Ca -0.21 0.12 -0.07 0.00 -2.87 0.00 0.00 58.31 55.28 3di0 n LYS 71 Cb 0.64 -3.60 0.11 0.00 -1.84 0.00 0.00 35.03 30.34 3di0 n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3di0 h ARG 72 N 1.06 0.63 -4.01 1.97 3.08 -1.57 -3.45 114.38 112.10 3di0 h ARG 72 Ca 0.00 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 3di0 h ARG 72 Cb 0.25 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.16 3di0 h ARG 72 CO 0.00 0.87 -0.37 0.14 -1.07 0.00 0.00 179.97 179.55 3di0 s VAL 73 N -4.41 0.05 0.33 2.04 -7.23 -1.26 -5.10 120.40 104.82 3di0 s VAL 73 Ca -0.08 -1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 58.27 3di0 s VAL 73 Cb 0.13 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 3di0 s VAL 73 CO 0.82 -0.23 1.26 -2.84 -0.31 0.00 0.00 175.10 173.80 3di0 s PRO 74 N -4.01 4.36 -0.21 4.82 0.02 -1.26 -4.87 135.00 133.85 3di0 s PRO 74 Ca 0.22 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.29 3di0 s PRO 74 Cb 0.04 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 3di0 s PRO 74 CO 0.03 -0.14 -0.01 0.08 -0.33 0.00 0.00 177.00 176.62 3di0 s VAL 75 N -1.18 3.70 -0.22 3.83 1.01 -1.26 -1.91 120.40 124.38 3di0 s VAL 75 Ca 0.49 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3di0 s VAL 75 Cb -0.37 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3di0 s VAL 75 CO 0.49 0.42 -0.10 -0.63 0.00 0.00 0.00 175.10 175.28 3di0 s ILE 76 N 1.29 2.71 -0.26 2.22 1.01 -0.15 -0.97 121.20 127.06 3di0 s ILE 76 Ca 0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 3di0 s ILE 76 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3di0 s ILE 76 CO -0.00 0.35 0.33 0.00 0.00 0.00 0.00 174.94 175.62 3di0 s ALA 77 N 1.34 3.56 -0.12 9.38 0.00 -0.35 -0.14 121.76 135.44 3di0 s ALA 77 Ca 0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 3di0 s ALA 77 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3di0 s ALA 77 CO -0.07 -0.53 1.50 0.20 0.00 0.00 0.00 175.76 176.87 3di0 s GLY 78 N 1.48 1.53 0.00 0.00 0.00 0.19 -1.34 107.32 109.17 3di0 s GLY 78 Ca 0.14 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3di0 s GLY 78 CO 0.09 2.83 0.00 -1.30 0.00 0.00 0.00 173.10 174.72 3di0 n THR 79 N 5.58 0.00 -2.10 0.90 -2.24 -0.82 -4.82 114.28 110.79 3di0 n THR 79 Ca 0.16 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 3di0 n THR 79 Cb 0.44 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3di0 n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3di0 s GLY 80 N -1.36 2.81 0.12 3.38 0.00 -1.17 -4.63 107.32 106.48 3di0 s GLY 80 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 44.72 46.01 3di0 s GLY 80 CO 0.00 2.01 0.06 -1.30 0.00 0.00 0.00 173.10 173.87 3di0 n THR 81 N 1.26 0.00 1.52 0.90 -2.24 -1.26 -4.49 114.28 109.97 3di0 n THR 81 Ca 0.02 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.05 3di0 n THR 81 Cb 0.41 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3di0 n THR 81 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3di0 n ASN 82 N -2.11 0.67 -4.05 3.42 0.23 -1.26 -4.60 115.26 107.57 3di0 n ASN 82 Ca -0.00 -2.02 -0.32 0.00 -0.53 0.00 0.00 54.58 51.71 3di0 n ASN 82 Cb 0.19 -0.18 -0.16 0.00 -2.08 0.00 0.00 39.78 37.56 3di0 n ASN 82 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3di0 s ASP 83 N -0.75 3.65 0.14 0.53 -1.08 -1.26 -4.88 116.67 113.03 3di0 s ASP 83 Ca 0.05 -0.99 -0.15 0.00 -0.52 0.00 0.00 52.55 50.94 3di0 s ASP 83 Cb 0.03 -1.38 0.02 0.00 -1.46 0.00 0.00 42.92 40.12 3di0 s ASP 83 CO 0.03 -0.13 1.70 0.74 0.52 0.00 0.00 175.17 178.03 3di0 h THR 84 N 6.40 1.20 -0.10 1.71 2.02 -1.97 -0.23 112.91 121.94 3di0 h THR 84 Ca -0.29 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 3di0 h THR 84 Cb 1.09 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3di0 h THR 84 CO 0.51 0.23 0.06 -0.33 0.37 0.00 0.00 175.52 176.36 3di0 h GLU 85 N 0.59 0.14 -0.69 6.66 4.39 -1.97 -0.65 114.58 123.04 3di0 h GLU 85 Ca 0.15 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.88 3di0 h GLU 85 Cb 0.18 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3di0 h GLU 85 CO -0.01 0.15 0.46 0.87 -1.16 0.00 0.00 179.01 179.31 3di0 h LYS 86 N 0.09 0.78 -0.63 2.33 6.56 -1.92 -0.92 116.57 122.86 3di0 h LYS 86 Ca 0.04 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 3di0 h LYS 86 Cb 0.05 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 3di0 h LYS 86 CO -0.01 0.52 0.09 0.77 -2.06 0.00 0.00 179.45 178.76 3di0 h SER 87 N 0.80 1.01 -0.00 0.86 0.02 -0.61 -0.46 113.55 115.17 3di0 h SER 87 Ca 0.28 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3di0 h SER 87 Cb 0.11 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 3di0 h SER 87 CO -0.08 1.03 0.00 0.40 -1.14 0.00 0.00 176.83 177.03 3di0 h ILE 88 N 0.96 1.04 -0.29 3.27 2.04 -0.28 -1.56 117.51 122.70 3di0 h ILE 88 Ca 0.19 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3di0 h ILE 88 Cb 0.45 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3di0 h ILE 88 CO 0.02 0.03 0.08 -0.61 0.00 0.00 0.00 178.15 177.67 3di0 h GLN 89 N -0.05 0.46 -0.84 2.37 4.15 -0.97 0.10 115.11 120.33 3di0 h GLN 89 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 3di0 h GLN 89 Cb 0.05 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3di0 h GLN 89 CO -0.00 0.53 0.41 0.00 -1.93 0.00 0.00 178.83 177.84 3di0 h ALA 90 N 0.91 1.14 0.01 3.38 0.00 -1.10 -1.09 119.26 122.51 3di0 h ALA 90 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3di0 h ALA 90 Cb 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3di0 h ALA 90 CO -0.00 0.66 -0.00 0.77 0.00 0.00 0.00 179.25 180.67 3di0 h SER 91 N 1.19 -0.01 -0.43 0.00 0.02 -0.92 0.30 113.55 113.70 3di0 h SER 91 Ca 0.29 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3di0 h SER 91 Cb 0.11 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 3di0 h SER 91 CO -0.04 0.12 0.02 0.40 -1.14 0.00 0.00 176.83 176.19 3di0 h ILE 92 N -0.13 0.68 -0.66 3.27 2.04 -0.63 -0.49 117.51 121.60 3di0 h ILE 92 Ca -0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3di0 h ILE 92 Cb 0.13 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3di0 h ILE 92 CO 0.00 0.02 0.19 -0.61 0.00 0.00 0.00 178.15 177.76 3di0 h GLN 93 N 0.13 1.03 -0.77 2.37 5.75 -1.04 -1.98 115.11 120.59 3di0 h GLN 93 Ca 0.22 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3di0 h GLN 93 Cb 0.31 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 3di0 h GLN 93 CO -0.34 0.91 0.38 0.00 -2.65 0.00 0.00 178.83 177.13 3di0 h ALA 94 N 1.08 1.22 -0.15 3.38 0.00 -0.39 -1.46 119.26 122.93 3di0 h ALA 94 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3di0 h ALA 94 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3di0 h ALA 94 CO -0.00 0.60 0.09 -0.22 0.00 0.00 0.00 179.25 179.72 3di0 h LYS 95 N 1.09 0.20 -0.23 0.00 3.64 -0.70 -2.10 116.57 118.47 3di0 h LYS 95 Ca 0.27 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 3di0 h LYS 95 Cb 0.09 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3di0 h LYS 95 CO -0.04 0.16 0.16 0.00 -2.27 0.00 0.00 179.45 177.46 3di0 h ALA 96 N 1.03 2.09 0.00 5.00 0.00 -0.83 -1.07 119.26 125.48 3di0 h ALA 96 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3di0 h ALA 96 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3di0 h ALA 96 CO -0.01 -0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.03 3di0 h LEU 97 N 0.10 0.00 0.00 0.00 3.38 -0.67 -3.48 115.31 114.64 3di0 h LEU 97 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3di0 h LEU 97 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3di0 h LEU 97 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3di0 n GLY 98 N 0.85 1.36 3.64 0.83 0.00 -0.41 -4.95 105.19 106.52 3di0 n GLY 98 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3di0 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3di0 n ALA 99 N -0.69 0.54 0.13 4.61 0.00 -0.85 -4.89 120.51 119.36 3di0 n ALA 99 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.82 3di0 n ALA 99 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.34 3di0 n ALA 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3di0 h ASP 100 N 2.10 0.00 -4.99 0.00 3.32 -1.41 -3.46 116.42 111.99 3di0 h ASP 100 Ca -0.44 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.65 3di0 h ASP 100 Cb 1.31 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.77 3di0 h ASP 100 CO 0.60 0.36 0.26 0.00 -1.72 0.00 0.00 179.24 178.74 3di0 s ALA 101 N -3.05 -1.49 0.22 3.45 0.00 -1.17 -4.29 121.76 115.43 3di0 s ALA 101 Ca 0.03 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.33 3di0 s ALA 101 Cb 0.07 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 3di0 s ALA 101 CO 0.75 -0.87 -0.20 0.96 0.00 0.00 0.00 175.76 176.40 3di0 s ILE 102 N -3.73 2.20 -0.09 0.00 -4.36 -0.60 -1.21 121.20 113.42 3di0 s ILE 102 Ca 0.05 -2.19 0.04 0.00 -0.26 0.00 0.00 60.65 58.30 3di0 s ILE 102 Cb -0.03 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.56 3di0 s ILE 102 CO -0.05 -0.34 -0.23 -0.32 0.24 0.00 0.00 174.94 174.24 3di0 s MET 103 N -3.17 2.86 -0.32 0.37 -2.45 -0.45 -0.11 119.30 116.02 3di0 s MET 103 Ca 0.24 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 3di0 s MET 103 Cb -0.05 -2.18 0.09 0.00 1.25 0.00 0.00 34.83 33.94 3di0 s MET 103 CO 0.11 0.17 0.02 -0.51 1.05 0.00 0.00 175.02 175.86 3di0 s LEU 104 N 0.35 4.38 0.74 4.11 1.43 0.23 -1.94 118.68 127.98 3di0 s LEU 104 Ca -0.18 -1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 50.80 3di0 s LEU 104 Cb -0.17 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.48 3di0 s LEU 104 CO 0.08 -0.34 0.94 0.00 0.23 0.00 0.00 176.35 177.26 3di0 n ILE 105 N 4.31 2.53 -1.14 -0.59 0.13 -1.26 -1.68 119.36 121.66 3di0 n ILE 105 Ca -0.00 -0.35 -0.33 0.00 -1.10 0.00 0.00 62.75 60.97 3di0 n ILE 105 Cb 0.42 -1.07 0.12 0.00 -0.84 0.00 0.00 39.64 38.28 3di0 n ILE 105 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 3di0 s THR 106 N -1.88 2.23 0.97 9.51 -4.23 -0.80 -4.79 115.64 116.66 3di0 s THR 106 Ca 0.72 0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 61.19 3di0 s THR 106 Cb -0.33 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.09 3di0 s THR 106 CO 0.52 -0.08 0.41 -2.65 -0.54 0.00 0.00 174.62 172.28 3di0 n PRO 107 N -3.33 -0.50 -3.52 3.99 -0.02 -1.26 -4.84 135.00 125.52 3di0 n PRO 107 Ca 0.13 -0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.36 3di0 n PRO 107 Cb 0.51 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3di0 n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3di0 s TYR 108 N -2.39 -0.50 0.00 6.00 -0.85 -1.26 -4.57 117.35 113.78 3di0 s TYR 108 Ca 0.57 0.55 0.00 0.00 -0.52 0.00 0.00 57.07 57.67 3di0 s TYR 108 Cb -0.20 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.56 3di0 s TYR 108 CO 0.67 -0.70 0.00 0.98 -1.52 0.00 0.00 175.55 174.98 3di0 n TYR 109 N 0.26 0.00 0.10 -3.49 9.36 -1.26 -3.85 117.16 118.28 3di0 n TYR 109 Ca -0.18 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 60.99 3di0 n TYR 109 Cb 0.61 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.36 3di0 n TYR 109 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 3di0 h ASN 110 N 0.00 0.07 -1.09 2.98 7.08 -1.92 -3.50 115.58 119.19 3di0 h ASN 110 Ca 0.00 -0.05 0.07 0.00 -3.08 0.00 0.00 56.30 53.24 3di0 h ASN 110 Cb 0.00 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.20 3di0 h ASN 110 CO 0.00 0.83 -0.09 0.29 -2.08 0.00 0.00 177.43 176.38 3di0 n LYS 111 N -3.64 -0.51 -3.82 4.14 5.02 -1.25 -5.02 118.16 113.07 3di0 n LYS 111 Ca -0.01 0.34 -0.07 0.00 -2.02 0.00 0.00 58.31 56.54 3di0 n LYS 111 Cb 0.76 -0.62 0.02 0.00 -0.02 0.00 0.00 35.03 35.16 3di0 n LYS 111 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3di0 s THR 112 N -0.46 0.00 0.67 -0.18 -1.32 -1.26 -4.76 115.64 108.33 3di0 s THR 112 Ca 0.00 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 59.53 3di0 s THR 112 Cb 0.00 -2.75 0.07 0.00 -1.51 0.00 0.00 72.50 68.32 3di0 s THR 112 CO 0.00 0.00 0.95 0.54 -2.21 0.00 0.00 174.62 173.90 3di0 s ASN 113 N -3.10 4.76 0.21 8.08 2.20 -1.26 -4.89 114.94 120.94 3di0 s ASN 113 Ca 0.16 0.10 -0.09 0.00 -0.94 0.00 0.00 52.86 52.09 3di0 s ASN 113 Cb -0.05 -0.73 0.24 0.00 -2.00 0.00 0.00 41.25 38.71 3di0 s ASN 113 CO 0.10 -1.57 1.82 1.56 -2.94 0.00 0.00 177.10 176.07 3di0 h GLN 114 N -0.42 0.73 -0.23 3.55 1.08 -2.00 0.30 115.11 118.13 3di0 h GLN 114 Ca -0.42 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 56.69 3di0 h GLN 114 Cb 1.29 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3di0 h GLN 114 CO 0.52 0.49 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.74 3di0 h ARG 115 N 0.76 0.36 -0.13 1.46 2.43 -2.00 -1.96 114.38 115.29 3di0 h ARG 115 Ca 0.30 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3di0 h ARG 115 Cb 0.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3di0 h ARG 115 CO -0.16 0.43 -0.58 0.78 -1.51 0.00 0.00 179.97 178.93 3di0 h GLY 116 N 0.74 0.45 0.92 2.80 0.00 -1.64 -2.48 103.07 103.86 3di0 h GLY 116 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3di0 h GLY 116 CO 0.01 0.49 -0.07 1.41 0.00 0.00 0.00 176.54 178.38 3di0 h LEU 117 N 0.31 -0.19 -0.06 3.11 3.38 -0.25 -0.98 115.31 120.64 3di0 h LEU 117 Ca -0.00 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3di0 h LEU 117 Cb 1.11 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 3di0 h LEU 117 CO 0.10 -0.12 -0.25 0.58 0.09 0.00 0.00 178.44 178.85 3di0 h VAL 118 N -0.17 0.42 -0.49 1.22 2.07 -1.35 0.20 116.25 118.15 3di0 h VAL 118 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3di0 h VAL 118 Cb 0.16 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 3di0 h VAL 118 CO -0.01 0.00 -0.20 0.11 0.02 0.00 0.00 177.57 177.49 3di0 h LYS 119 N -0.35 -0.09 0.47 1.57 6.56 -1.29 0.21 116.57 123.66 3di0 h LYS 119 Ca 0.08 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 3di0 h LYS 119 Cb 0.46 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3di0 h LYS 119 CO -0.26 -0.06 -0.23 1.25 -2.06 0.00 0.00 179.45 178.09 3di0 h HIS 120 N -0.09 -0.59 -0.74 -1.35 2.76 -0.23 0.10 115.15 115.01 3di0 h HIS 120 Ca 0.23 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 3di0 h HIS 120 Cb 0.45 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 3di0 h HIS 120 CO -0.48 -0.34 0.27 0.74 -1.30 0.00 0.00 177.93 176.83 3di0 h PHE 121 N -0.69 1.16 -0.16 5.26 0.04 -0.45 -2.62 116.94 119.47 3di0 h PHE 121 Ca -0.06 -0.10 -0.21 0.00 2.80 0.00 0.00 57.97 60.40 3di0 h PHE 121 Cb 0.51 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3di0 h PHE 121 CO -0.03 0.89 -0.71 0.93 -0.60 0.00 0.00 178.31 178.79 3di0 h GLU 122 N 1.08 0.72 -0.61 1.51 5.08 -0.91 -1.41 114.58 120.05 3di0 h GLU 122 Ca 0.25 -0.55 0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3di0 h GLU 122 Cb 0.25 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 3di0 h GLU 122 CO -0.02 1.17 0.22 0.00 -1.00 0.00 0.00 179.01 179.38 3di0 h ALA 123 N 0.68 0.78 -0.16 3.43 0.00 -0.67 -0.02 119.26 123.31 3di0 h ALA 123 Ca -0.03 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3di0 h ALA 123 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3di0 h ALA 123 CO 0.14 -0.20 -0.33 0.82 0.00 0.00 0.00 179.25 179.69 3di0 h ILE 124 N 0.40 1.35 -0.82 0.00 2.04 -1.28 -2.35 117.51 116.86 3di0 h ILE 124 Ca 0.31 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3di0 h ILE 124 Cb 0.38 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3di0 h ILE 124 CO -0.31 0.48 0.36 0.00 0.00 0.00 0.00 178.15 178.67 3di0 h ALA 125 N 0.57 1.09 -0.60 1.87 0.00 -1.10 -1.90 119.26 119.19 3di0 h ALA 125 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3di0 h ALA 125 Cb 0.92 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3di0 h ALA 125 CO 0.07 0.66 0.08 -0.44 0.00 0.00 0.00 179.25 179.62 3di0 h ASP 126 N 1.18 0.94 0.24 0.00 3.32 -1.01 0.66 116.42 121.75 3di0 h ASP 126 Ca 0.28 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3di0 h ASP 126 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3di0 h ASP 126 CO -0.03 0.95 -0.50 0.00 -1.72 0.00 0.00 179.24 177.94 3di0 h ALA 127 N 1.16 0.95 0.00 3.45 0.00 -0.97 -3.35 119.26 120.50 3di0 h ALA 127 Ca 0.18 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 3di0 h ALA 127 Cb 0.43 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3di0 h ALA 127 CO 0.01 0.66 -2.10 1.55 0.00 0.00 0.00 179.25 179.37 3di0 n VAL 128 N -3.96 0.95 -3.88 0.00 3.14 -0.75 -4.97 118.33 108.86 3di0 n VAL 128 Ca -0.02 -0.66 -0.32 0.00 -2.96 0.00 0.00 64.34 60.38 3di0 n VAL 128 Cb 0.55 -0.44 0.01 0.00 -1.06 0.00 0.00 33.84 32.90 3di0 n VAL 128 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3di0 n LYS 129 N -2.54 -1.76 -3.87 1.45 5.02 0.21 -4.98 118.16 111.70 3di0 n LYS 129 Ca -0.23 0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3di0 n LYS 129 Cb 0.95 -3.95 -0.11 0.00 -0.02 0.00 0.00 35.03 31.89 3di0 n LYS 129 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3di0 s LEU 130 N -6.87 1.65 0.14 -0.35 2.96 -1.26 -5.12 118.68 109.84 3di0 s LEU 130 Ca 0.29 -0.08 -0.34 0.00 -0.22 0.00 0.00 54.13 53.78 3di0 s LEU 130 Cb -0.12 0.49 -0.17 0.00 0.50 0.00 0.00 46.19 46.89 3di0 s LEU 130 CO 0.90 -0.24 1.08 -2.65 -1.32 0.00 0.00 176.35 174.13 3di0 n PRO 131 N 2.06 0.85 -5.01 0.98 -0.02 -1.26 -4.74 135.00 127.87 3di0 n PRO 131 Ca -0.19 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 3di0 n PRO 131 Cb 0.57 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 3di0 n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3di0 s VAL 132 N -0.22 2.45 -0.28 -1.45 1.01 0.23 -1.55 120.40 120.58 3di0 s VAL 132 Ca 0.75 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3di0 s VAL 132 Cb -0.93 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3di0 s VAL 132 CO 0.53 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 175.60 3di0 s VAL 133 N 0.38 4.58 0.42 2.92 1.01 0.84 -1.81 120.40 128.74 3di0 s VAL 133 Ca -0.15 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 3di0 s VAL 133 Cb -0.17 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 3di0 s VAL 133 CO 0.07 0.23 1.07 -0.76 0.00 0.00 0.00 175.10 175.71 3di0 s LEU 134 N 1.64 4.08 -0.15 3.92 1.02 0.58 -0.60 118.68 129.17 3di0 s LEU 134 Ca 0.06 2.08 -0.01 0.00 0.02 0.00 0.00 54.13 56.28 3di0 s LEU 134 Cb -0.16 -4.24 0.04 0.00 0.02 0.00 0.00 46.19 41.85 3di0 s LEU 134 CO 0.06 -0.61 -0.05 -0.47 0.02 0.00 0.00 176.35 175.30 3di0 s TYR 135 N -1.67 1.50 -0.22 0.29 5.04 -0.68 -0.03 117.35 121.58 3di0 s TYR 135 Ca 0.60 -0.89 -0.00 0.00 -2.44 0.00 0.00 57.07 54.33 3di0 s TYR 135 Cb -0.23 -1.23 0.02 0.00 0.35 0.00 0.00 41.96 40.88 3di0 s TYR 135 CO 0.28 -0.56 -0.11 1.21 -1.34 0.00 0.00 175.55 175.02 3di0 s ASN 136 N 1.70 3.91 -0.39 4.32 2.47 -0.07 -1.90 114.94 124.99 3di0 s ASN 136 Ca 0.02 -0.80 0.02 0.00 0.42 0.00 0.00 52.86 52.53 3di0 s ASN 136 Cb -0.14 -1.59 0.16 0.00 -1.45 0.00 0.00 41.25 38.22 3di0 s ASN 136 CO -0.08 -0.08 0.29 0.54 -3.72 0.00 0.00 177.10 174.06 3di0 s VAL 137 N 1.30 0.23 0.53 -5.21 0.11 -1.26 -1.36 120.40 114.74 3di0 s VAL 137 Ca 0.01 -2.22 0.21 0.00 -2.93 0.00 0.00 61.98 57.06 3di0 s VAL 137 Cb -0.15 -1.17 0.29 0.00 -1.53 0.00 0.00 36.38 33.81 3di0 s VAL 137 CO -0.07 -1.12 2.16 -0.65 -3.33 0.00 0.00 175.10 172.09 3di0 h PRO 138 N 6.23 0.00 0.00 1.54 0.11 -1.81 -0.21 132.00 137.86 3di0 h PRO 138 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3di0 h PRO 138 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3di0 h PRO 138 CO 0.32 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.01 3di0 n SER 139 N -4.24 0.00 0.00 -2.05 3.41 -1.26 -0.66 113.62 108.81 3di0 n SER 139 Ca -0.03 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 3di0 n SER 139 Cb 0.11 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3di0 n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3di0 n ARG 140 N -1.09 0.46 0.00 4.33 1.74 -0.11 -4.82 116.66 117.17 3di0 n ARG 140 Ca 0.12 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 3di0 n ARG 140 Cb 0.09 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3di0 n ARG 140 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3di0 n THR 141 N -0.16 0.00 -1.80 0.55 -2.24 -1.00 -4.90 114.28 104.74 3di0 n THR 141 Ca 0.00 -0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3di0 n THR 141 Cb 0.03 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 3di0 n THR 141 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3di0 n ASN 142 N -0.58 -5.38 -4.08 3.42 4.13 0.16 -4.40 115.26 108.54 3di0 n ASN 142 Ca 0.00 0.33 -0.10 0.00 1.68 0.00 0.00 54.58 56.49 3di0 n ASN 142 Cb 0.00 -4.53 -0.07 0.00 -1.54 0.00 0.00 39.78 33.64 3di0 n ASN 142 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3di0 s MET 143 N -4.02 1.37 0.13 3.52 0.23 -1.26 -5.09 119.30 114.18 3di0 s MET 143 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 55.69 53.26 3di0 s MET 143 Cb 0.00 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 3di0 s MET 143 CO 0.00 -0.52 0.01 -0.08 -2.03 0.00 0.00 175.02 172.40 3di0 s THR 144 N -4.07 0.39 -0.45 3.16 -1.32 -1.26 -4.05 115.64 108.04 3di0 s THR 144 Ca 0.29 -1.92 -0.12 0.00 -1.21 0.00 0.00 61.69 58.73 3di0 s THR 144 Cb 0.03 -1.95 0.09 0.00 -1.51 0.00 0.00 72.50 69.16 3di0 s THR 144 CO 0.09 -0.60 0.33 -0.63 -2.21 0.00 0.00 174.62 171.61 3di0 s ILE 145 N -3.85 4.61 0.71 5.08 1.01 -1.26 -4.95 121.20 122.56 3di0 s ILE 145 Ca 0.20 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 3di0 s ILE 145 Cb 0.07 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3di0 s ILE 145 CO -0.00 -0.60 1.26 -1.61 0.00 0.00 0.00 174.94 173.99 3di0 s GLU 146 N 1.50 2.21 0.22 2.79 0.41 -1.26 -4.67 118.70 119.90 3di0 s GLU 146 Ca 0.04 1.95 -0.08 0.00 -0.41 0.00 0.00 54.97 56.47 3di0 s GLU 146 Cb -0.24 -1.82 0.35 0.00 -1.78 0.00 0.00 34.13 30.64 3di0 s GLU 146 CO 0.03 -1.83 1.73 -1.35 -0.49 0.00 0.00 175.26 173.35 3di0 h PRO 147 N 0.00 0.36 0.00 0.39 0.11 -1.93 0.19 132.00 131.12 3di0 h PRO 147 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3di0 h PRO 147 Cb 1.32 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3di0 h PRO 147 CO 0.50 0.24 -0.07 1.05 -0.21 0.00 0.00 178.00 179.51 3di0 h GLU 148 N 0.37 0.00 -0.01 1.05 9.09 -1.93 0.22 114.58 123.37 3di0 h GLU 148 Ca 0.35 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.63 3di0 h GLU 148 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3di0 h GLU 148 CO -0.38 0.07 -0.60 1.15 0.05 0.00 0.00 179.01 179.31 3di0 h THR 149 N 0.00 1.42 -0.36 -1.06 2.02 -1.01 -2.56 112.91 111.36 3di0 h THR 149 Ca -0.00 -2.03 -0.12 0.00 0.77 0.00 0.00 66.41 65.03 3di0 h THR 149 Cb 0.15 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3di0 h THR 149 CO 0.01 0.58 -0.24 0.58 0.37 0.00 0.00 175.52 176.83 3di0 h VAL 150 N 0.03 1.28 -0.36 3.16 2.07 0.91 -1.49 116.25 121.85 3di0 h VAL 150 Ca -0.01 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 3di0 h VAL 150 Cb 1.06 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3di0 h VAL 150 CO 0.08 0.46 0.13 1.05 0.02 0.00 0.00 177.57 179.31 3di0 h GLU 151 N 0.59 0.55 -0.25 1.57 4.11 -1.14 0.35 114.58 120.38 3di0 h GLU 151 Ca 0.07 -0.11 0.06 0.00 0.07 0.00 0.00 59.36 59.45 3di0 h GLU 151 Cb 0.80 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 3di0 h GLU 151 CO 0.07 0.56 -0.16 0.82 0.07 0.00 0.00 179.01 180.36 3di0 h ILE 152 N 0.44 0.54 -0.55 -1.06 2.04 -1.37 -2.24 117.51 115.31 3di0 h ILE 152 Ca 0.12 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3di0 h ILE 152 Cb 0.22 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3di0 h ILE 152 CO -0.01 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.12 3di0 h LEU 153 N -0.14 0.91 -1.38 1.44 3.38 -0.94 -1.62 115.31 116.96 3di0 h LEU 153 Ca 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3di0 h LEU 153 Cb 0.35 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3di0 h LEU 153 CO -0.34 0.96 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 3di0 n SER 154 N -4.31 0.60 0.16 -0.43 3.41 0.12 -0.26 113.62 112.91 3di0 n SER 154 Ca 0.02 0.76 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3di0 n SER 154 Cb 0.30 -0.84 0.26 0.00 -0.26 0.00 0.00 64.21 63.66 3di0 n SER 154 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3di0 h GLN 155 N 0.00 0.00 -6.77 4.33 5.75 -0.71 -3.45 115.11 114.26 3di0 h GLN 155 Ca 0.00 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 3di0 h GLN 155 Cb 0.05 0.00 0.05 0.00 1.07 0.00 0.00 27.48 28.66 3di0 h GLN 155 CO 0.00 0.00 0.70 -1.58 -2.65 0.00 0.00 178.83 175.30 3di0 s HIS 156 N -3.17 3.07 0.50 3.99 2.46 0.64 -4.91 115.29 117.87 3di0 s HIS 156 Ca 0.08 1.17 0.28 0.00 0.47 0.00 0.00 55.06 57.07 3di0 s HIS 156 Cb 0.08 -3.74 1.62 0.00 -0.13 0.00 0.00 32.58 30.42 3di0 s HIS 156 CO 0.65 -2.29 2.16 -1.00 -2.47 0.00 0.00 174.74 171.79 3di0 h PRO 157 N 4.62 0.00 0.00 2.88 0.13 -1.87 -2.77 132.00 135.00 3di0 h PRO 157 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3di0 h PRO 157 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3di0 h PRO 157 CO 0.74 0.07 -1.07 0.66 -0.23 0.00 0.00 178.00 178.17 3di0 n TYR 158 N -3.74 0.05 -3.39 1.56 4.01 -1.26 -4.84 117.16 109.55 3di0 n TYR 158 Ca -0.02 0.01 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 3di0 n TYR 158 Cb 0.16 -0.17 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3di0 n TYR 158 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3di0 s ILE 159 N -3.10 5.22 0.00 -0.72 1.01 -1.05 0.74 121.20 123.30 3di0 s ILE 159 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3di0 s ILE 159 Cb 0.16 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3di0 s ILE 159 CO 0.84 -0.54 0.17 1.33 0.00 0.00 0.00 174.94 176.74 3di0 n VAL 160 N 5.22 0.00 -3.58 2.92 0.24 -0.75 -4.55 118.33 117.84 3di0 n VAL 160 Ca -0.12 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.62 3di0 n VAL 160 Cb 0.44 1.05 -0.05 0.00 -1.47 0.00 0.00 33.84 33.82 3di0 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3di0 s ALA 161 N -0.52 -1.23 -0.07 2.33 0.00 -1.20 0.08 121.76 121.14 3di0 s ALA 161 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3di0 s ALA 161 Cb 0.00 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.64 3di0 s ALA 161 CO 0.00 -0.56 -0.07 -1.17 0.00 0.00 0.00 175.76 173.96 3di0 s LEU 162 N -2.24 1.32 -0.35 0.00 2.96 0.12 -0.31 118.68 120.17 3di0 s LEU 162 Ca -0.03 -0.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.45 3di0 s LEU 162 Cb -0.00 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 46.03 3di0 s LEU 162 CO -0.05 -0.06 0.68 -0.75 -1.32 0.00 0.00 176.35 174.85 3di0 s LYS 163 N 1.14 3.72 -0.40 1.98 2.20 0.95 0.02 119.74 129.34 3di0 s LYS 163 Ca -0.07 0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.63 3di0 s LYS 163 Cb -0.14 -3.80 0.09 0.00 -1.51 0.00 0.00 37.83 32.46 3di0 s LYS 163 CO -0.01 -0.76 0.21 0.34 -0.36 0.00 0.00 175.35 174.77 3di0 s ASP 164 N 1.79 5.40 -0.25 1.43 2.15 -0.40 -0.89 116.67 125.89 3di0 s ASP 164 Ca 0.26 -1.67 0.13 0.00 0.43 0.00 0.00 52.55 51.70 3di0 s ASP 164 Cb -0.14 -1.89 0.63 0.00 -0.30 0.00 0.00 42.92 41.21 3di0 s ASP 164 CO 0.15 -0.51 1.59 0.00 -0.17 0.00 0.00 175.17 176.24 3di0 n ALA 165 N 4.76 3.85 -0.31 3.66 0.00 -0.46 -0.75 120.51 131.26 3di0 n ALA 165 Ca -0.08 -2.44 0.14 0.00 0.00 0.00 0.00 53.44 51.06 3di0 n ALA 165 Cb 0.42 -0.94 0.37 0.00 0.00 0.00 0.00 19.45 19.31 3di0 n ALA 165 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3di0 h THR 166 N 2.15 0.75 -5.77 0.00 2.02 -1.91 -3.42 112.91 106.74 3di0 h THR 166 Ca 0.13 -0.23 -0.41 0.00 0.77 0.00 0.00 66.41 66.67 3di0 h THR 166 Cb 1.84 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 68.15 3di0 h THR 166 CO 0.46 0.12 -0.61 -3.20 0.37 0.00 0.00 175.52 172.66 3di0 n ASN 167 N -4.64 -3.61 -3.90 4.18 5.15 -1.26 -4.96 115.26 106.22 3di0 n ASN 167 Ca 0.21 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.36 3di0 n ASN 167 Cb 0.56 -2.98 -0.15 0.00 -0.53 0.00 0.00 39.78 36.68 3di0 n ASN 167 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3di0 s ASP 168 N -2.85 3.94 0.49 1.20 3.68 -1.26 -5.01 116.67 116.85 3di0 s ASP 168 Ca 0.48 -1.36 0.28 0.00 2.13 0.00 0.00 52.55 54.09 3di0 s ASP 168 Cb -0.26 -1.15 0.98 0.00 -1.45 0.00 0.00 42.92 41.04 3di0 s ASP 168 CO 0.59 -0.29 1.84 -0.26 0.13 0.00 0.00 175.17 177.19 3di0 h PHE 169 N 7.95 0.00 -0.47 -5.34 0.04 -2.00 -2.28 116.94 114.84 3di0 h PHE 169 Ca -0.15 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.49 3di0 h PHE 169 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 3di0 h PHE 169 CO 0.46 0.06 -0.20 0.93 -0.60 0.00 0.00 178.31 178.96 3di0 h GLU 170 N 0.00 0.95 -0.41 1.51 5.08 -2.00 -2.62 114.58 117.09 3di0 h GLU 170 Ca -0.00 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 3di0 h GLU 170 Cb 0.71 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3di0 h GLU 170 CO 0.01 1.05 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.96 3di0 h TYR 171 N 0.82 0.89 -0.63 4.33 3.20 -1.89 -1.04 116.97 122.65 3di0 h TYR 171 Ca 0.11 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 3di0 h TYR 171 Cb 0.76 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3di0 h TYR 171 CO 0.05 0.92 0.32 1.25 -1.64 0.00 0.00 178.16 179.06 3di0 h LEU 172 N 0.69 0.81 -0.74 2.82 5.85 -1.39 0.89 115.31 124.23 3di0 h LEU 172 Ca 0.10 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3di0 h LEU 172 Cb 0.70 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3di0 h LEU 172 CO 0.05 0.69 0.11 -0.33 -0.34 0.00 0.00 178.44 178.63 3di0 h GLU 173 N 0.86 1.07 -0.48 1.25 4.39 -1.22 0.21 114.58 120.66 3di0 h GLU 173 Ca 0.22 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3di0 h GLU 173 Cb 0.08 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3di0 h GLU 173 CO -0.03 0.97 -0.08 0.93 -1.16 0.00 0.00 179.01 179.64 3di0 h GLU 174 N 1.00 0.85 -0.28 2.33 5.08 -1.00 -2.49 114.58 120.07 3di0 h GLU 174 Ca 0.20 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3di0 h GLU 174 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3di0 h GLU 174 CO 0.01 0.90 -0.02 0.28 -1.00 0.00 0.00 179.01 179.19 3di0 h VAL 175 N 0.77 1.26 -0.98 3.13 2.07 -0.11 -3.19 116.25 119.20 3di0 h VAL 175 Ca 0.13 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3di0 h VAL 175 Cb 0.58 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3di0 h VAL 175 CO 0.04 0.31 0.64 0.11 0.02 0.00 0.00 177.57 178.69 3di0 h LYS 176 N 0.28 1.14 0.00 1.57 1.57 -0.51 -0.01 116.57 120.61 3di0 h LYS 176 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3di0 h LYS 176 Cb 0.46 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3di0 h LYS 176 CO 0.02 0.75 0.00 1.63 -0.57 0.00 0.00 179.45 181.28 3di0 n LYS 177 N -4.48 0.19 0.00 3.15 5.02 -0.95 -2.76 118.16 118.33 3di0 n LYS 177 Ca 0.15 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3di0 n LYS 177 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3di0 n LYS 177 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3di0 n ARG 178 N -1.01 1.53 -4.17 1.97 0.63 -0.05 -5.06 116.66 110.50 3di0 n ARG 178 Ca 0.04 -0.05 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 3di0 n ARG 178 Cb 0.02 -0.30 -0.06 0.00 0.45 0.00 0.00 32.46 32.56 3di0 n ARG 178 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3di0 n ILE 179 N -0.23 0.00 -4.02 5.15 -5.35 -1.03 -4.61 119.36 109.28 3di0 n ILE 179 Ca 0.00 -2.14 -0.31 0.00 -0.27 0.00 0.00 62.75 60.03 3di0 n ILE 179 Cb 0.05 0.76 -0.15 0.00 -1.74 0.00 0.00 39.64 38.55 3di0 n ILE 179 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3di0 s ASP 180 N -3.26 4.55 0.00 7.28 2.15 -1.26 -4.94 116.67 121.19 3di0 s ASP 180 Ca 0.18 -1.79 0.06 0.00 0.43 0.00 0.00 52.55 51.44 3di0 s ASP 180 Cb 0.01 -1.53 0.28 0.00 -0.30 0.00 0.00 42.92 41.38 3di0 s ASP 180 CO 0.13 -0.30 1.17 0.35 -0.17 0.00 0.00 175.17 176.34 3di0 n THR 181 N 4.38 1.41 -0.21 1.71 -2.24 -1.26 -1.10 114.28 116.97 3di0 n THR 181 Ca -0.04 0.35 -0.06 0.00 -2.27 0.00 0.00 64.05 62.03 3di0 n THR 181 Cb 0.42 -1.25 0.09 0.00 -2.10 0.00 0.00 70.33 67.49 3di0 n THR 181 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3di0 h ASN 182 N 0.00 0.98 -0.00 3.42 2.35 -1.96 -3.31 115.58 117.06 3di0 h ASN 182 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3di0 h ASN 182 Cb 0.10 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3di0 h ASN 182 CO 0.00 0.97 -0.22 -1.54 -1.65 0.00 0.00 177.43 174.98 3di0 n SER 183 N -4.23 0.70 -3.85 5.81 3.41 -0.39 -4.57 113.62 110.50 3di0 n SER 183 Ca 0.04 -0.85 -0.27 0.00 -0.26 0.00 0.00 58.87 57.53 3di0 n SER 183 Cb 0.27 0.71 -0.17 0.00 -0.26 0.00 0.00 64.21 64.77 3di0 n SER 183 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3di0 s PHE 184 N -1.34 1.48 0.09 7.33 5.36 -0.26 -4.78 117.98 125.85 3di0 s PHE 184 Ca 0.04 -0.94 -0.06 0.00 -0.96 0.00 0.00 56.93 55.01 3di0 s PHE 184 Cb 0.05 -1.21 -0.05 0.00 -0.34 0.00 0.00 43.02 41.47 3di0 s PHE 184 CO 0.22 -0.58 0.34 0.00 -1.46 0.00 0.00 175.22 173.74 3di0 s ALA 185 N 1.71 3.81 -0.27 11.12 0.00 0.11 -4.12 121.76 134.11 3di0 s ALA 185 Ca 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 3di0 s ALA 185 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.88 3di0 s ALA 185 CO -0.07 0.66 -0.01 -0.51 0.00 0.00 0.00 175.76 175.82 3di0 s LEU 186 N -2.24 3.49 -0.13 0.00 1.43 -1.26 0.11 118.68 120.09 3di0 s LEU 186 Ca 0.35 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3di0 s LEU 186 Cb -0.13 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3di0 s LEU 186 CO 0.21 -0.17 -0.16 -0.31 0.23 0.00 0.00 176.35 176.15 3di0 s TYR 187 N 1.35 2.74 0.46 0.29 2.02 0.10 0.04 117.35 124.35 3di0 s TYR 187 Ca -0.00 -0.81 -0.24 0.00 -0.37 0.00 0.00 57.07 55.64 3di0 s TYR 187 Cb -0.17 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.50 3di0 s TYR 187 CO -0.02 -0.31 1.35 0.45 -1.57 0.00 0.00 175.55 175.46 3di0 s SER 188 N 0.41 5.89 -0.14 2.29 0.15 0.21 -1.27 113.70 121.24 3di0 s SER 188 Ca -0.12 2.75 0.16 0.00 0.70 0.00 0.00 55.95 59.44 3di0 s SER 188 Cb -0.16 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 62.11 3di0 s SER 188 CO 0.06 -1.15 1.52 0.61 1.20 0.00 0.00 173.24 175.48 3di0 n GLY 189 N 0.63 3.26 2.62 9.45 0.00 0.07 -1.23 105.19 119.97 3di0 n GLY 189 Ca 0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 3di0 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3di0 s ASN 190 N -1.27 2.51 0.51 1.61 3.84 -1.26 -4.74 114.94 116.14 3di0 s ASN 190 Ca 0.44 -0.75 0.26 0.00 0.21 0.00 0.00 52.86 53.02 3di0 s ASN 190 Cb 0.32 -0.15 1.35 0.00 -0.55 0.00 0.00 41.25 42.22 3di0 s ASN 190 CO 0.16 -0.37 1.92 0.44 -2.79 0.00 0.00 177.10 176.46 3di0 h ASP 191 N 8.40 0.10 -0.04 -4.21 3.32 -1.90 -1.66 116.42 120.42 3di0 h ASP 191 Ca -0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3di0 h ASP 191 Cb 1.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3di0 h ASP 191 CO 0.33 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.00 3di0 n ASP 192 N -4.36 2.03 -1.37 6.45 5.68 -1.26 -3.40 116.55 120.32 3di0 n ASP 192 Ca 0.15 -1.68 0.11 0.00 -0.50 0.00 0.00 54.79 52.87 3di0 n ASP 192 Cb 0.77 -0.02 0.32 0.00 -1.14 0.00 0.00 41.12 41.06 3di0 n ASP 192 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3di0 n ASN 193 N 0.58 4.10 -0.16 -1.12 0.23 -0.62 -4.69 115.26 113.58 3di0 n ASN 193 Ca 0.17 -2.11 -0.08 0.00 -0.53 0.00 0.00 54.58 52.03 3di0 n ASN 193 Cb 0.44 -0.50 0.07 0.00 -2.08 0.00 0.00 39.78 37.70 3di0 n ASN 193 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3di0 h VAL 194 N 4.11 1.26 -0.95 3.53 -1.51 -1.68 0.14 116.25 121.15 3di0 h VAL 194 Ca 0.00 -1.19 0.03 0.00 -1.23 0.00 0.00 66.70 64.31 3di0 h VAL 194 Cb 1.09 0.94 -0.06 0.00 -2.13 0.00 0.00 31.29 31.13 3di0 h VAL 194 CO 0.06 0.42 0.62 1.62 -1.23 0.00 0.00 177.57 179.05 3di0 h VAL 195 N 0.85 1.16 0.10 7.19 3.04 -1.87 0.31 116.25 127.03 3di0 h VAL 195 Ca 0.14 -0.41 -0.26 0.00 -1.01 0.00 0.00 66.70 65.16 3di0 h VAL 195 Cb 0.60 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 3di0 h VAL 195 CO 0.04 0.22 -1.17 -0.08 -1.01 0.00 0.00 177.57 175.57 3di0 h GLU 196 N 1.20 0.27 -0.48 4.17 4.81 -1.77 -2.50 114.58 120.29 3di0 h GLU 196 Ca 0.38 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3di0 h GLU 196 Cb -0.00 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3di0 h GLU 196 CO -0.12 1.18 0.24 -0.92 -0.73 0.00 0.00 179.01 178.66 3di0 h TYR 197 N 0.09 0.67 -0.80 0.92 3.20 0.30 -1.29 116.97 120.07 3di0 h TYR 197 Ca -0.12 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 3di0 h TYR 197 Cb 1.88 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.90 3di0 h TYR 197 CO 0.06 0.53 0.47 1.88 -1.64 0.00 0.00 178.16 179.46 3di0 h TYR 198 N 0.62 1.07 0.00 -3.82 0.05 -0.49 -2.00 116.97 112.39 3di0 h TYR 198 Ca 0.16 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3di0 h TYR 198 Cb 0.10 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.49 3di0 h TYR 198 CO -0.01 0.72 0.00 0.94 -1.05 0.00 0.00 178.16 178.76 3di0 n GLN 199 N -4.45 0.14 -0.19 4.88 7.27 -0.75 -2.18 117.38 122.09 3di0 n GLN 199 Ca 0.08 0.33 0.08 0.00 0.07 0.00 0.00 57.00 57.56 3di0 n GLN 199 Cb 0.07 -1.74 0.18 0.00 2.41 0.00 0.00 30.24 31.16 3di0 n GLN 199 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3di0 n ARG 200 N -1.99 2.37 0.00 3.69 1.74 -0.56 -4.95 116.66 116.95 3di0 n ARG 200 Ca 0.03 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 3di0 n ARG 200 Cb 0.24 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3di0 n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3di0 n GLY 201 N 1.02 1.12 3.73 -0.13 0.00 -0.93 -5.04 105.19 104.96 3di0 n GLY 201 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3di0 n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3di0 s GLY 202 N -2.00 2.10 0.00 -0.02 0.00 -0.80 -4.92 107.32 101.68 3di0 s GLY 202 Ca 0.00 0.67 0.25 0.00 0.00 0.00 0.00 44.72 45.64 3di0 s GLY 202 CO 0.00 1.05 1.44 -1.06 0.00 0.00 0.00 173.10 174.54 3di0 n GLN 203 N -3.00 0.64 0.00 2.90 3.00 0.11 -4.77 117.38 116.25 3di0 n GLN 203 Ca 0.12 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 3di0 n GLN 203 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.26 3di0 n GLN 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3di0 n GLY 204 N 1.39 0.06 3.34 1.08 0.00 -1.23 -1.20 105.19 108.63 3di0 n GLY 204 Ca 0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3di0 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3di0 s VAL 205 N -4.00 0.00 -0.35 1.61 0.11 -0.45 -0.62 120.40 116.71 3di0 s VAL 205 Ca 0.00 -0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 3di0 s VAL 205 Cb 0.00 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 3di0 s VAL 205 CO 0.00 -0.00 0.21 -0.63 -3.33 0.00 0.00 175.10 171.34 3di0 s ILE 206 N 0.21 4.85 -0.05 7.04 1.01 -0.37 0.10 121.20 134.00 3di0 s ILE 206 Ca -0.00 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3di0 s ILE 206 Cb -0.03 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3di0 s ILE 206 CO 0.01 -0.08 -0.23 -0.55 0.00 0.00 0.00 174.94 174.10 3di0 s SER 207 N 1.64 3.31 -0.10 3.58 0.15 0.12 -4.54 113.70 117.86 3di0 s SER 207 Ca 0.04 -0.42 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 3di0 s SER 207 Cb -0.18 -0.69 -0.11 0.00 -1.71 0.00 0.00 66.02 63.33 3di0 s SER 207 CO 0.08 0.29 0.43 0.58 1.20 0.00 0.00 173.24 175.82 3di0 h VAL 208 N 4.71 0.69 0.00 4.45 2.07 -1.87 -0.50 116.25 125.80 3di0 h VAL 208 Ca -0.39 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 3di0 h VAL 208 Cb 1.15 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3di0 h VAL 208 CO 0.48 0.22 -0.02 -0.29 0.02 0.00 0.00 177.57 177.98 3di0 h ILE 209 N -0.98 0.38 0.00 4.57 6.09 -1.96 0.35 117.51 125.96 3di0 h ILE 209 Ca -0.01 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 3di0 h ILE 209 Cb 0.42 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.78 3di0 h ILE 209 CO 0.01 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 175.11 3di0 n ALA 210 N -2.24 1.53 0.21 0.18 0.00 -1.26 -1.31 120.51 117.61 3di0 n ALA 210 Ca -0.03 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.51 3di0 n ALA 210 Cb 0.11 -1.17 0.76 0.00 0.00 0.00 0.00 19.45 19.15 3di0 n ALA 210 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3di0 h ASN 211 N 0.00 0.00 0.00 0.00 2.35 -1.13 -2.86 115.58 113.94 3di0 h ASN 211 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3di0 h ASN 211 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3di0 h ASN 211 CO 0.00 0.00 -0.68 1.33 -1.65 0.00 0.00 177.43 176.43 3di0 n VAL 212 N -4.15 0.00 -2.44 2.81 0.24 -0.43 -4.81 118.33 109.55 3di0 n VAL 212 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3di0 n VAL 212 Cb 0.24 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 3di0 n VAL 212 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3di0 n ILE 213 N -1.20 2.30 -0.30 1.34 -5.35 -0.58 -4.89 119.36 110.67 3di0 n ILE 213 Ca 0.00 -4.72 0.07 0.00 -0.27 0.00 0.00 62.75 57.82 3di0 n ILE 213 Cb 0.12 -1.11 0.22 0.00 -1.74 0.00 0.00 39.64 37.13 3di0 n ILE 213 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3di0 h PRO 214 N 2.56 0.65 -0.34 6.28 0.13 -1.72 -1.14 132.00 138.42 3di0 h PRO 214 Ca 0.28 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.36 3di0 h PRO 214 Cb 1.01 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 3di0 h PRO 214 CO 0.81 0.43 0.15 -0.22 -0.23 0.00 0.00 178.00 178.94 3di0 h LYS 215 N 0.67 0.50 0.00 0.86 3.64 -1.80 -0.28 116.57 120.15 3di0 h LYS 215 Ca 0.45 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.59 3di0 h LYS 215 Cb 0.60 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3di0 h LYS 215 CO -0.34 0.48 -0.77 1.05 -2.27 0.00 0.00 179.45 177.60 3di0 h GLU 216 N 0.41 0.00 -0.36 1.90 9.09 -1.79 -0.90 114.58 122.93 3di0 h GLU 216 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.46 3di0 h GLU 216 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3di0 h GLU 216 CO -0.01 0.77 -0.05 0.35 0.05 0.00 0.00 179.01 180.12 3di0 h PHE 217 N 0.00 0.74 -0.33 2.06 3.57 -1.12 -0.26 116.94 121.60 3di0 h PHE 217 Ca -0.01 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 3di0 h PHE 217 Cb 1.56 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 3di0 h PHE 217 CO 0.00 0.80 -0.25 0.37 -2.23 0.00 0.00 178.31 176.99 3di0 h GLN 218 N 0.46 0.66 -0.03 1.11 5.75 -1.05 -2.52 115.11 119.50 3di0 h GLN 218 Ca 0.09 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 3di0 h GLN 218 Cb 0.54 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3di0 h GLN 218 CO 0.03 0.85 -0.39 0.00 -2.65 0.00 0.00 178.83 176.67 3di0 h ALA 219 N 1.15 1.31 -0.35 3.38 0.00 -1.02 -1.30 119.26 122.42 3di0 h ALA 219 Ca 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3di0 h ALA 219 Cb 0.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3di0 h ALA 219 CO 0.06 0.51 0.21 1.25 0.00 0.00 0.00 179.25 181.28 3di0 h LEU 220 N 0.05 0.42 -0.18 0.00 5.85 -0.62 -1.73 115.31 119.11 3di0 h LEU 220 Ca 0.00 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3di0 h LEU 220 Cb 0.71 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3di0 h LEU 220 CO 0.05 0.34 -0.08 0.22 -0.34 0.00 0.00 178.44 178.63 3di0 h TYR 221 N 0.46 -0.19 -0.35 1.25 3.20 -1.13 -2.86 116.97 117.34 3di0 h TYR 221 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3di0 h TYR 221 Cb -0.00 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3di0 h TYR 221 CO -0.04 -0.13 0.19 -0.44 -1.64 0.00 0.00 178.16 176.10 3di0 h ASP 222 N -0.06 0.41 0.04 -2.11 3.32 -1.02 -0.76 116.42 116.25 3di0 h ASP 222 Ca 0.10 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3di0 h ASP 222 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3di0 h ASP 222 CO -0.22 0.33 -0.02 0.00 -1.72 0.00 0.00 179.24 177.61 3di0 h ALA 223 N 1.74 -0.06 -0.01 3.45 0.00 -1.10 -1.99 119.26 121.29 3di0 h ALA 223 Ca 0.13 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3di0 h ALA 223 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3di0 h ALA 223 CO -0.02 -0.47 -0.77 -0.56 0.00 0.00 0.00 179.25 177.42 3di0 h GLN 224 N -0.18 0.11 -0.27 0.00 -0.00 -1.32 -2.26 115.11 111.19 3di0 h GLN 224 Ca -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 3di0 h GLN 224 Cb 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 3di0 h GLN 224 CO 0.01 0.83 0.14 0.37 -0.00 0.00 0.00 178.83 180.18 3di0 h GLN 225 N 0.07 0.37 0.00 0.06 5.75 -1.07 -1.42 115.11 118.87 3di0 h GLN 225 Ca -0.02 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3di0 h GLN 225 Cb 1.36 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3di0 h GLN 225 CO 0.11 0.29 0.00 0.43 -2.65 0.00 0.00 178.83 177.01 3di0 n SER 226 N -4.45 0.00 0.00 -0.69 7.64 -0.76 -4.88 113.62 110.48 3di0 n SER 226 Ca 0.01 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3di0 n SER 226 Cb 0.11 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3di0 n SER 226 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3di0 n GLY 227 N 1.23 0.88 3.88 0.23 0.00 -0.53 -5.11 105.19 105.77 3di0 n GLY 227 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3di0 n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3di0 s LEU 228 N 0.00 3.82 -0.17 0.99 1.43 -0.89 -4.99 118.68 118.87 3di0 s LEU 228 Ca 0.00 1.06 -0.25 0.00 -1.03 0.00 0.00 54.13 53.91 3di0 s LEU 228 Cb 0.00 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 3di0 s LEU 228 CO 0.00 -0.40 0.83 -0.62 0.23 0.00 0.00 176.35 176.39 3di0 s ASP 229 N -3.28 6.95 0.00 2.29 2.15 -1.26 -4.10 116.67 119.41 3di0 s ASP 229 Ca 0.50 1.17 0.10 0.00 0.43 0.00 0.00 52.55 54.74 3di0 s ASP 229 Cb -0.10 -2.45 0.27 0.00 -0.30 0.00 0.00 42.92 40.34 3di0 s ASP 229 CO 0.33 -0.40 1.22 2.30 -0.17 0.00 0.00 175.17 178.45 3di0 n ILE 230 N 4.75 0.99 -0.03 4.11 -5.35 -1.26 -4.63 119.36 117.94 3di0 n ILE 230 Ca 0.04 -0.99 -0.09 0.00 -0.27 0.00 0.00 62.75 61.44 3di0 n ILE 230 Cb 0.49 0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 38.86 3di0 n ILE 230 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3di0 h GLN 231 N 1.82 0.12 0.24 6.28 4.15 -1.95 -1.53 115.11 124.24 3di0 h GLN 231 Ca 0.00 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.08 3di0 h GLN 231 Cb 0.70 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 28.40 3di0 h GLN 231 CO 0.00 0.08 -1.51 -0.44 -1.93 0.00 0.00 178.83 175.02 3di0 h ASP 232 N 0.12 0.79 -0.93 -0.69 3.32 -2.03 -3.28 116.42 113.72 3di0 h ASP 232 Ca 0.08 -0.89 0.25 0.00 0.02 0.00 0.00 57.03 56.48 3di0 h ASP 232 Cb 0.06 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3di0 h ASP 232 CO -0.09 1.71 0.64 -0.61 -1.72 0.00 0.00 179.24 179.17 3di0 h GLN 233 N 0.14 0.18 0.00 3.56 4.15 -1.80 -0.93 115.11 120.40 3di0 h GLN 233 Ca -0.26 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.10 3di0 h GLN 233 Cb 2.15 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.80 3di0 h GLN 233 CO 0.26 0.12 -0.20 0.35 -1.93 0.00 0.00 178.83 177.43 3di0 h PHE 234 N 0.19 0.00 -0.69 3.99 3.57 -1.33 -3.37 116.94 119.29 3di0 h PHE 234 Ca 0.47 0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.12 3di0 h PHE 234 Cb 1.54 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.16 3di0 h PHE 234 CO -0.00 0.20 0.05 0.87 -2.23 0.00 0.00 178.31 177.20 3di0 h LYS 235 N 0.00 0.15 -0.35 1.11 6.56 -1.30 0.15 116.57 122.89 3di0 h LYS 235 Ca -0.00 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 3di0 h LYS 235 Cb 0.93 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 3di0 h LYS 235 CO 0.03 0.10 0.01 -1.35 -2.06 0.00 0.00 179.45 176.17 3di0 h PRO 236 N 0.15 0.54 -0.50 3.15 0.11 -1.79 0.18 132.00 133.85 3di0 h PRO 236 Ca 0.38 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3di0 h PRO 236 Cb 0.64 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3di0 h PRO 236 CO -0.57 0.56 0.14 0.82 -0.21 0.00 0.00 178.00 178.74 3di0 h ILE 237 N 0.52 1.23 -0.92 4.15 2.04 -1.09 -2.42 117.51 121.02 3di0 h ILE 237 Ca 0.11 -0.81 0.10 0.00 1.00 0.00 0.00 64.86 65.26 3di0 h ILE 237 Cb 0.32 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3di0 h ILE 237 CO 0.01 0.29 0.59 1.23 0.00 0.00 0.00 178.15 180.27 3di0 h GLY 238 N 0.68 1.36 0.99 5.37 0.00 0.75 0.10 103.07 112.32 3di0 h GLY 238 Ca 0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3di0 h GLY 238 CO -0.00 0.22 0.25 -0.84 0.00 0.00 0.00 176.54 176.17 3di0 h THR 239 N 0.93 1.22 -0.47 4.70 2.02 -0.42 0.29 112.91 121.19 3di0 h THR 239 Ca 0.43 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3di0 h THR 239 Cb 0.39 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3di0 h THR 239 CO -0.19 0.27 0.04 0.25 0.37 0.00 0.00 175.52 176.27 3di0 h LEU 240 N 0.82 0.77 -0.89 2.58 5.85 -0.80 -2.67 115.31 120.98 3di0 h LEU 240 Ca 0.20 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3di0 h LEU 240 Cb 0.18 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3di0 h LEU 240 CO -0.02 0.86 0.58 -0.07 -0.34 0.00 0.00 178.44 179.45 3di0 h LEU 241 N 0.65 1.00 -1.52 2.25 3.38 -0.45 -1.58 115.31 119.04 3di0 h LEU 241 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3di0 h LEU 241 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3di0 h LEU 241 CO 0.02 0.71 0.27 0.28 0.09 0.00 0.00 178.44 179.81 3di0 h SER 242 N 1.18 0.52 -0.13 -0.43 0.02 -0.83 -0.98 113.55 112.89 3di0 h SER 242 Ca 0.33 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 3di0 h SER 242 Cb -0.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3di0 h SER 242 CO -0.08 0.40 -0.22 0.00 -1.14 0.00 0.00 176.83 175.79 3di0 h ALA 243 N 1.70 1.07 0.00 3.77 0.00 -0.97 -2.44 119.26 122.39 3di0 h ALA 243 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3di0 h ALA 243 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3di0 h ALA 243 CO -0.03 0.57 0.00 -0.11 0.00 0.00 0.00 179.25 179.68 3di0 n LEU 244 N -4.13 0.28 0.15 0.00 7.94 -0.43 -2.61 117.00 118.21 3di0 n LEU 244 Ca 0.00 0.56 0.13 0.00 -1.11 0.00 0.00 56.01 55.59 3di0 n LEU 244 Cb 0.40 -0.52 0.51 0.00 0.53 0.00 0.00 43.42 44.34 3di0 n LEU 244 CO 0.42 -0.34 0.88 -1.28 -1.11 0.00 0.00 177.39 175.97 3di0 h SER 245 N 0.00 0.00 -0.08 1.96 0.87 -0.89 -3.33 113.55 112.08 3di0 h SER 245 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3di0 h SER 245 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3di0 h SER 245 CO 0.00 0.00 0.18 1.62 -0.53 0.00 0.00 176.83 178.10 3di0 h VAL 246 N 0.00 0.19 -3.06 2.23 3.04 -1.65 -3.44 116.25 113.57 3di0 h VAL 246 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3di0 h VAL 246 Cb 0.43 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 3di0 h VAL 246 CO 0.00 0.00 0.23 -0.62 -1.01 0.00 0.00 177.57 176.17 3di0 s ASP 247 N -5.20 -0.07 0.08 3.17 -1.08 -1.25 -5.08 116.67 107.25 3di0 s ASP 247 Ca -0.04 -0.95 -0.31 0.00 -0.52 0.00 0.00 52.55 50.73 3di0 s ASP 247 Cb 0.13 0.79 -0.08 0.00 -1.46 0.00 0.00 42.92 42.30 3di0 s ASP 247 CO 0.43 -1.54 1.55 -0.63 0.52 0.00 0.00 175.17 175.51 3di0 s ILE 248 N -2.98 3.10 0.35 4.11 1.01 -1.26 -4.58 121.20 120.95 3di0 s ILE 248 Ca 0.14 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.15 3di0 s ILE 248 Cb -0.05 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 3di0 s ILE 248 CO 0.10 0.02 1.52 -3.20 0.00 0.00 0.00 174.94 173.38 3di0 n ASN 249 N 4.99 3.83 -1.76 3.58 2.85 -1.26 -0.38 115.26 127.11 3di0 n ASN 249 Ca 0.14 1.20 -0.09 0.00 -0.11 0.00 0.00 54.58 55.73 3di0 n ASN 249 Cb 0.41 -1.62 0.20 0.00 1.24 0.00 0.00 39.78 40.01 3di0 n ASN 249 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3di0 n PRO 250 N 0.96 2.71 -0.20 1.20 -0.04 -1.26 -4.93 135.00 133.44 3di0 n PRO 250 Ca 0.03 -2.26 -0.03 0.00 -0.04 0.00 0.00 63.50 61.19 3di0 n PRO 250 Cb 0.38 -1.95 0.07 0.00 -0.04 0.00 0.00 33.50 31.96 3di0 n PRO 250 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3di0 h ILE 251 N 1.62 0.98 0.06 0.52 2.04 -1.02 -2.81 117.51 118.90 3di0 h ILE 251 Ca 0.28 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 3di0 h ILE 251 Cb 2.07 0.32 0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3di0 h ILE 251 CO 0.64 0.11 -0.62 -0.65 0.00 0.00 0.00 178.15 177.62 3di0 h PRO 252 N 0.61 0.32 -0.54 2.37 0.11 -1.81 -3.34 132.00 129.72 3di0 h PRO 252 Ca 0.25 -0.42 0.07 0.00 0.11 0.00 0.00 66.00 66.02 3di0 h PRO 252 Cb 0.13 0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3di0 h PRO 252 CO -0.15 1.14 0.36 0.97 -0.21 0.00 0.00 178.00 180.11 3di0 h ILE 253 N -0.31 0.94 0.00 4.15 6.09 -1.88 0.51 117.51 127.01 3di0 h ILE 253 Ca -0.10 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 3di0 h ILE 253 Cb 1.41 0.48 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 3di0 h ILE 253 CO 0.12 0.08 -0.00 0.11 -3.07 0.00 0.00 178.15 175.38 3di0 h LYS 254 N 0.43 0.00 -0.11 2.19 1.57 -1.61 0.21 116.57 119.24 3di0 h LYS 254 Ca 0.24 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3di0 h LYS 254 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3di0 h LYS 254 CO -0.06 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 178.62 3di0 h ALA 255 N 2.00 1.45 0.15 3.86 0.00 -1.03 -1.98 119.26 123.71 3di0 h ALA 255 Ca -0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 3di0 h ALA 255 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3di0 h ALA 255 CO 0.00 0.39 -1.73 -0.07 0.00 0.00 0.00 179.25 177.83 3di0 h LEU 256 N 0.17 0.49 -0.47 0.00 3.38 -1.04 -2.88 115.31 114.96 3di0 h LEU 256 Ca 0.03 -0.78 -0.06 0.00 0.09 0.00 0.00 57.88 57.16 3di0 h LEU 256 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3di0 h LEU 256 CO 0.03 1.67 0.06 0.71 0.09 0.00 0.00 178.44 181.00 3di0 h THR 257 N 0.09 1.25 -0.91 0.22 1.35 -1.28 -2.03 112.91 111.60 3di0 h THR 257 Ca -0.33 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 3di0 h THR 257 Cb 2.06 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 69.39 3di0 h THR 257 CO 0.15 0.33 0.52 0.77 -0.25 0.00 0.00 175.52 177.05 3di0 h SER 258 N 0.65 1.11 -0.39 5.36 4.64 -1.46 -0.73 113.55 122.74 3di0 h SER 258 Ca 0.14 -0.08 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3di0 h SER 258 Cb 0.41 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3di0 h SER 258 CO 0.01 0.87 0.26 0.22 -0.87 0.00 0.00 176.83 177.32 3di0 h TYR 259 N 1.26 0.34 -0.07 4.77 3.20 -1.25 0.12 116.97 125.34 3di0 h TYR 259 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3di0 h TYR 259 Cb -0.02 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3di0 h TYR 259 CO 0.01 0.19 0.00 1.28 -1.64 0.00 0.00 178.16 178.00 3di0 n LEU 260 N -4.48 0.96 0.00 2.82 4.77 -0.79 -4.91 117.00 115.37 3di0 n LEU 260 Ca 0.04 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3di0 n LEU 260 Cb 0.20 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3di0 n LEU 260 CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3di0 n GLY 261 N 1.03 0.77 3.40 -0.72 0.00 0.43 -5.04 105.19 105.07 3di0 n GLY 261 Ca 0.17 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 3di0 n GLY 261 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3di0 s PHE 262 N -2.00 3.66 0.00 1.61 0.08 -0.33 -4.96 117.98 116.04 3di0 s PHE 262 Ca 0.00 -2.08 0.00 0.00 0.12 0.00 0.00 56.93 54.97 3di0 s PHE 262 Cb 0.00 -4.09 0.00 0.00 -0.57 0.00 0.00 43.02 38.36 3di0 s PHE 262 CO 0.00 -1.22 0.00 0.41 -0.10 0.00 0.00 175.22 174.31 3di0 n GLY 263 N 4.05 -1.24 3.91 4.36 0.00 -1.26 -3.83 105.19 111.18 3di0 n GLY 263 Ca 0.26 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 3di0 n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3di0 s ASN 264 N -3.11 5.04 -1.01 1.61 0.01 0.70 -4.51 114.94 113.68 3di0 s ASN 264 Ca 0.00 0.71 -0.23 0.00 -0.71 0.00 0.00 52.86 52.62 3di0 s ASN 264 Cb 0.00 -1.43 -0.02 0.00 0.41 0.00 0.00 41.25 40.21 3di0 s ASN 264 CO 0.00 -1.49 1.79 -0.47 -1.51 0.00 0.00 177.10 175.42 3di0 s TYR 265 N -3.28 2.11 0.02 2.20 5.04 -1.26 -4.58 117.35 117.60 3di0 s TYR 265 Ca 0.59 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.24 3di0 s TYR 265 Cb -0.11 -4.28 -0.02 0.00 0.35 0.00 0.00 41.96 37.91 3di0 s TYR 265 CO 0.47 -1.73 -0.04 -1.21 -1.34 0.00 0.00 175.55 171.70 3di0 s GLU 266 N 6.14 0.33 0.03 4.97 2.02 -1.26 -4.94 118.70 125.99 3di0 s GLU 266 Ca 0.62 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.14 3di0 s GLU 266 Cb -0.03 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.10 3di0 s GLU 266 CO -0.01 0.01 -0.09 -0.51 0.02 0.00 0.00 175.26 174.67 3di0 s LEU 267 N -1.10 2.15 0.01 1.80 1.43 -1.26 -4.82 118.68 116.90 3di0 s LEU 267 Ca -0.10 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 3di0 s LEU 267 Cb -0.07 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 3di0 s LEU 267 CO -0.00 -0.04 0.49 -0.60 0.23 0.00 0.00 176.35 176.43 3di0 s ARG 268 N -0.98 4.10 0.39 1.70 3.52 -1.26 -4.70 118.95 121.70 3di0 s ARG 268 Ca -0.02 0.55 -0.27 0.00 -0.13 0.00 0.00 55.73 55.87 3di0 s ARG 268 Cb -0.07 -3.26 -0.11 0.00 -1.56 0.00 0.00 34.95 29.95 3di0 s ARG 268 CO 0.01 0.59 1.30 1.28 -0.81 0.00 0.00 175.30 177.67 3di0 n LEU 269 N 2.06 3.93 -0.01 -0.88 4.77 -1.26 -1.02 117.00 124.59 3di0 n LEU 269 Ca -0.11 1.16 0.14 0.00 -0.03 0.00 0.00 56.01 57.17 3di0 n LEU 269 Cb 0.52 -1.51 0.62 0.00 -2.33 0.00 0.00 43.42 40.72 3di0 n LEU 269 CO 0.40 -0.49 0.93 -0.81 -1.33 0.00 0.00 177.39 176.09 3di0 n PRO 270 N 0.29 0.14 -1.12 3.23 -0.04 -1.26 -4.94 135.00 131.30 3di0 n PRO 270 Ca 0.05 -0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 3di0 n PRO 270 Cb 0.38 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3di0 n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3di0 s LEU 271 N -2.87 3.03 0.03 1.53 1.43 -0.19 -5.06 118.68 116.58 3di0 s LEU 271 Ca 0.18 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.28 3di0 s LEU 271 Cb 0.19 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3di0 s LEU 271 CO 0.53 -2.41 0.03 0.68 0.23 0.00 0.00 176.35 175.40 3di0 s VAL 272 N -2.66 0.14 0.62 -1.59 -7.23 -1.26 -4.37 120.40 104.05 3di0 s VAL 272 Ca 0.65 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 59.52 3di0 s VAL 272 Cb -0.21 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 3di0 s VAL 272 CO 0.54 -0.64 1.06 -0.94 -0.31 0.00 0.00 175.10 174.81 3di0 s SER 273 N -2.02 5.66 0.69 4.85 1.04 -1.26 -4.86 113.70 117.79 3di0 s SER 273 Ca -0.07 1.78 -0.17 0.00 0.48 0.00 0.00 55.95 57.97 3di0 s SER 273 Cb -0.03 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3di0 s SER 273 CO -0.04 -1.25 0.64 0.18 0.98 0.00 0.00 173.24 173.75 3di0 n LEU 274 N -2.31 1.54 -4.81 2.42 4.32 -1.26 -5.01 117.00 111.89 3di0 n LEU 274 Ca 0.08 0.65 -0.29 0.00 -0.02 0.00 0.00 56.01 56.43 3di0 n LEU 274 Cb 0.53 -1.26 0.11 0.00 -1.62 0.00 0.00 43.42 41.19 3di0 n LEU 274 CO 0.49 -2.81 0.73 -1.61 -1.22 0.00 0.00 177.39 172.97 3di0 s GLU 275 N -2.74 1.60 0.17 3.23 2.02 -1.26 -4.78 118.70 116.94 3di0 s GLU 275 Ca 0.68 0.35 -0.18 0.00 0.02 0.00 0.00 54.97 55.84 3di0 s GLU 275 Cb -0.37 -1.89 0.10 0.00 0.10 0.00 0.00 34.13 32.07 3di0 s GLU 275 CO 0.55 -1.90 1.65 -0.44 0.02 0.00 0.00 175.26 175.14 3di0 h ASP 276 N -1.28 -0.57 0.07 -0.19 3.45 -1.99 -1.13 116.42 114.78 3di0 h ASP 276 Ca -0.49 0.14 0.02 0.00 0.43 0.00 0.00 57.03 57.13 3di0 h ASP 276 Cb 1.31 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 40.38 3di0 h ASP 276 CO 0.62 -0.20 -0.17 0.74 -1.57 0.00 0.00 179.24 178.66 3di0 h THR 277 N -0.09 0.60 -0.09 0.35 2.02 -2.00 -1.83 112.91 111.87 3di0 h THR 277 Ca 0.19 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 3di0 h THR 277 Cb 0.39 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3di0 h THR 277 CO -0.45 0.00 -0.27 0.44 0.37 0.00 0.00 175.52 175.61 3di0 h ASP 278 N -0.32 0.16 -0.39 4.18 3.32 -1.84 -1.98 116.42 119.56 3di0 h ASP 278 Ca 0.03 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3di0 h ASP 278 Cb 0.35 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3di0 h ASP 278 CO -0.11 0.44 0.06 0.74 -1.72 0.00 0.00 179.24 178.65 3di0 h THR 279 N 0.15 1.24 -0.05 0.35 2.02 -0.82 -2.39 112.91 113.41 3di0 h THR 279 Ca 0.02 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3di0 h THR 279 Cb 0.57 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3di0 h THR 279 CO 0.04 0.29 0.01 0.50 0.37 0.00 0.00 175.52 176.73 3di0 h LYS 280 N 0.49 0.09 -0.46 6.66 1.63 -0.80 -1.33 116.57 122.83 3di0 h LYS 280 Ca 0.12 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3di0 h LYS 280 Cb 0.36 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.90 3di0 h LYS 280 CO 0.01 0.32 -0.10 0.28 -3.45 0.00 0.00 179.45 176.52 3di0 h VAL 281 N -0.17 0.55 -0.37 2.00 2.07 -1.38 0.76 116.25 119.71 3di0 h VAL 281 Ca 0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3di0 h VAL 281 Cb 0.28 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3di0 h VAL 281 CO 0.00 0.00 0.18 0.25 0.02 0.00 0.00 177.57 178.02 3di0 h LEU 282 N 0.02 0.49 -0.78 2.57 6.46 -1.25 0.85 115.31 123.68 3di0 h LEU 282 Ca 0.22 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3di0 h LEU 282 Cb 0.34 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 3di0 h LEU 282 CO -0.46 0.49 0.46 0.03 -0.62 0.00 0.00 178.44 178.33 3di0 h ARG 283 N 0.47 1.06 -0.63 1.25 3.08 -0.73 -1.19 114.38 117.69 3di0 h ARG 283 Ca 0.13 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3di0 h ARG 283 Cb 0.13 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3di0 h ARG 283 CO -0.02 0.76 0.34 0.93 -1.07 0.00 0.00 179.97 180.91 3di0 h GLU 284 N 1.07 0.88 -0.72 0.04 5.08 -0.39 0.13 114.58 120.66 3di0 h GLU 284 Ca 0.28 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3di0 h GLU 284 Cb -0.02 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 3di0 h GLU 284 CO -0.05 0.68 0.48 1.15 -1.00 0.00 0.00 179.01 180.26 3di0 h THR 285 N 0.85 1.14 0.19 1.13 2.02 -0.34 0.18 112.91 118.09 3di0 h THR 285 Ca 0.22 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3di0 h THR 285 Cb 0.06 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3di0 h THR 285 CO -0.03 0.17 -0.09 0.22 0.37 0.00 0.00 175.52 176.15 3di0 h TYR 286 N 0.92 -0.24 -0.94 3.16 3.20 -0.56 -1.45 116.97 121.06 3di0 h TYR 286 Ca 0.28 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.33 3di0 h TYR 286 Cb -0.02 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.23 3di0 h TYR 286 CO -0.00 0.10 0.53 -0.44 -1.64 0.00 0.00 178.16 176.71 3di0 h ASP 287 N -0.62 0.64 -0.58 -2.11 3.32 -0.52 -0.57 116.42 115.97 3di0 h ASP 287 Ca -0.03 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3di0 h ASP 287 Cb 0.45 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3di0 h ASP 287 CO 0.04 0.22 0.14 0.74 -1.72 0.00 0.00 179.24 178.65 3di0 h THR 288 N 0.67 1.25 -0.43 0.35 2.02 -0.49 -2.21 112.91 114.07 3di0 h THR 288 Ca 0.54 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3di0 h THR 288 Cb 0.86 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3di0 h THR 288 CO -0.40 0.35 0.19 0.15 0.37 0.00 0.00 175.52 176.17 3di0 h PHE 289 N 0.93 0.63 -0.56 3.16 3.57 -0.05 -3.24 116.94 121.39 3di0 h PHE 289 Ca 0.20 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3di0 h PHE 289 Cb 0.35 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3di0 h PHE 289 CO 0.02 0.54 0.25 0.87 -2.23 0.00 0.00 178.31 177.76 3di0 h LYS 290 N 0.55 0.82 -5.97 1.11 1.79 -0.77 -3.32 116.57 110.77 3di0 h LYS 290 Ca 0.14 -0.13 -0.45 0.00 -2.18 0.00 0.00 60.65 58.03 3di0 h LYS 290 Cb 0.16 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 3di0 h LYS 290 CO -0.01 0.69 1.13 0.00 -1.08 0.00 0.00 179.45 180.17 3di0 s ALA 291 N -5.64 2.17 0.00 3.86 0.00 -0.87 -5.12 121.76 116.16 3di0 s ALA 291 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3di0 s ALA 291 Cb 0.12 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.84 3di0 s ALA 291 CO 0.78 -4.06 0.00 0.41 0.00 0.00 0.00 175.76 172.89