#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b78 s ILE 11 N 0.00 3.39 0.15 0.58 1.01 -1.19 -4.45 121.20 120.69 1b78 s ILE 11 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1b78 s ILE 11 Cb 0.00 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 1b78 s ILE 11 CO 0.00 0.42 0.53 -0.31 0.00 0.00 0.00 174.94 175.58 1b78 s TYR 12 N 1.45 3.58 -0.31 3.97 2.02 -0.69 -1.38 117.35 125.99 1b78 s TYR 12 Ca 0.05 0.99 -0.02 0.00 -0.37 0.00 0.00 57.07 57.72 1b78 s TYR 12 Cb -0.14 -2.32 0.05 0.00 -0.40 0.00 0.00 41.96 39.15 1b78 s TYR 12 CO -0.03 0.42 0.02 0.12 -1.57 0.00 0.00 175.55 174.51 1b78 s PHE 13 N -1.50 3.29 -0.98 2.71 2.19 0.44 -0.61 117.98 123.52 1b78 s PHE 13 Ca 0.38 -1.87 -0.24 0.00 0.33 0.00 0.00 56.93 55.54 1b78 s PHE 13 Cb -0.14 -2.19 0.04 0.00 -1.31 0.00 0.00 43.02 39.42 1b78 s PHE 13 CO 0.19 -0.81 1.46 0.00 1.83 0.00 0.00 175.22 177.89 1b78 s ALA 14 N 1.26 2.65 0.02 11.12 0.00 -0.77 -0.98 121.76 135.06 1b78 s ALA 14 Ca -0.04 -2.10 -0.21 0.00 0.00 0.00 0.00 51.96 49.61 1b78 s ALA 14 Cb -0.20 -4.50 0.04 0.00 0.00 0.00 0.00 23.12 18.47 1b78 s ALA 14 CO -0.01 -3.65 0.47 -0.08 0.00 0.00 0.00 175.76 172.49 1b78 s THR 15 N 5.38 0.04 -1.58 0.00 -1.32 -1.20 -4.73 115.64 112.23 1b78 s THR 15 Ca 0.46 -0.33 0.23 0.00 -1.21 0.00 0.00 61.69 60.85 1b78 s THR 15 Cb -0.01 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1b78 s THR 15 CO -0.06 -0.18 1.21 0.61 -2.21 0.00 0.00 174.62 173.99 1b78 n GLY 16 N 0.67 -0.55 3.40 6.08 0.00 -1.26 -4.53 105.19 109.00 1b78 n GLY 16 Ca -0.19 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1b78 n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1b78 s ASN 17 N -2.68 6.17 0.36 1.61 3.04 -1.26 -4.92 114.94 117.26 1b78 s ASN 17 Ca 0.16 -1.23 0.27 0.00 0.04 0.00 0.00 52.86 52.10 1b78 s ASN 17 Cb 0.18 -2.22 1.18 0.00 -1.54 0.00 0.00 41.25 38.85 1b78 s ASN 17 CO 0.65 -0.74 1.80 1.55 -3.04 0.00 0.00 177.10 177.32 1b78 h PRO 18 N 8.84 0.00 0.00 0.43 0.13 -2.01 -2.05 132.00 137.35 1b78 h PRO 18 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1b78 h PRO 18 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1b78 h PRO 18 CO 0.92 0.00 -0.06 -0.97 -0.23 0.00 0.00 178.00 177.66 1b78 h ASN 19 N 0.00 0.00 0.51 1.44 -0.73 -1.99 -2.21 115.58 112.60 1b78 h ASN 19 Ca 0.00 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.92 1b78 h ASN 19 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1b78 h ASN 19 CO 0.00 0.06 -1.12 0.11 -0.37 0.00 0.00 177.43 176.11 1b78 h LYS 20 N 0.00 0.33 0.00 6.67 1.57 -1.79 -2.28 116.57 121.07 1b78 h LYS 20 Ca -0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1b78 h LYS 20 Cb 0.55 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1b78 h LYS 20 CO 0.01 1.17 -0.09 -0.84 -0.57 0.00 0.00 179.45 179.13 1b78 h ILE 21 N 0.14 0.00 -0.18 1.86 -0.00 -1.62 -1.68 117.51 116.02 1b78 h ILE 21 Ca -0.11 -0.91 -0.19 0.00 -0.00 0.00 0.00 64.86 63.65 1b78 h ILE 21 Cb 1.81 1.87 0.01 0.00 -0.00 0.00 0.00 36.82 40.50 1b78 h ILE 21 CO 0.19 0.00 -0.61 0.50 -0.00 0.00 0.00 178.15 178.23 1b78 h LYS 22 N 0.00 0.74 -0.35 0.16 3.64 -1.37 -2.20 116.57 117.18 1b78 h LYS 22 Ca 0.00 -0.55 -0.15 0.00 -1.27 0.00 0.00 60.65 58.68 1b78 h LYS 22 Cb 0.96 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1b78 h LYS 22 CO 0.00 1.17 -0.38 1.49 -2.27 0.00 0.00 179.45 179.45 1b78 h GLU 23 N 0.45 0.88 0.39 1.90 4.81 -1.27 -3.18 114.58 118.56 1b78 h GLU 23 Ca -0.02 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1b78 h GLU 23 Cb 1.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1b78 h GLU 23 CO 0.13 1.12 -0.19 0.00 -0.73 0.00 0.00 179.01 179.35 1b78 h ALA 24 N 0.75 -0.52 -0.96 2.92 0.00 -1.31 -2.67 119.26 117.47 1b78 h ALA 24 Ca 0.05 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.03 1b78 h ALA 24 Cb 0.98 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1b78 h ALA 24 CO 0.09 -0.64 0.65 -0.91 0.00 0.00 0.00 179.25 178.44 1b78 h ASN 25 N -0.82 0.26 0.38 0.00 -0.26 -1.51 0.15 115.58 113.78 1b78 h ASN 25 Ca -0.05 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1b78 h ASN 25 Cb 0.54 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1b78 h ASN 25 CO 0.09 0.08 -0.18 0.40 -1.06 0.00 0.00 177.43 176.76 1b78 h ILE 26 N 0.25 0.55 -0.49 2.81 2.04 -1.51 -1.31 117.51 119.85 1b78 h ILE 26 Ca 0.49 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1b78 h ILE 26 Cb 1.49 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1b78 h ILE 26 CO -0.14 0.09 0.34 0.40 0.00 0.00 0.00 178.15 178.84 1b78 h ILE 27 N -0.86 0.82 -0.83 -0.67 2.04 -0.81 0.17 117.51 117.36 1b78 h ILE 27 Ca -0.05 -0.05 -0.34 0.00 1.00 0.00 0.00 64.86 65.42 1b78 h ILE 27 Cb 0.54 0.67 -0.20 0.00 -0.74 0.00 0.00 36.82 37.08 1b78 h ILE 27 CO 0.09 0.03 0.42 0.18 0.00 0.00 0.00 178.15 178.86 1b78 n LEU 28 N -4.43 6.30 -0.12 1.44 4.77 0.39 -4.69 117.00 120.66 1b78 n LEU 28 Ca 0.08 -3.41 -0.06 0.00 -0.03 0.00 0.00 56.01 52.59 1b78 n LEU 28 Cb 0.46 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1b78 n LEU 28 CO 0.35 0.93 0.97 0.50 -1.33 0.00 0.00 177.39 178.81 1b78 h LYS 29 N 1.92 0.34 -0.05 3.23 1.63 0.54 -3.20 116.57 120.98 1b78 h LYS 29 Ca 0.42 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 60.00 1b78 h LYS 29 Cb 2.54 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 34.09 1b78 h LYS 29 CO 0.88 0.23 -0.79 -0.44 -3.45 0.00 0.00 179.45 175.87 1b78 h ASP 30 N 0.35 0.45 -1.84 4.20 5.19 -1.84 -3.44 116.42 119.50 1b78 h ASP 30 Ca 0.17 -0.32 -0.61 0.00 -0.62 0.00 0.00 57.03 55.65 1b78 h ASP 30 Cb 0.10 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1b78 h ASP 30 CO -0.14 1.08 1.36 -0.11 -3.12 0.00 0.00 179.24 178.31 1b78 n LEU 31 N -3.79 3.18 0.11 1.55 0.00 -1.21 -4.75 117.00 112.09 1b78 n LEU 31 Ca -0.05 0.51 0.03 0.00 0.00 0.00 0.00 56.01 56.50 1b78 n LEU 31 Cb 0.75 -1.45 0.15 0.00 0.00 0.00 0.00 43.42 42.87 1b78 n LEU 31 CO 0.49 -0.44 0.69 0.29 0.00 0.00 0.00 177.39 178.42 1b78 n LYS 32 N 8.03 0.04 0.00 1.96 4.01 -1.26 0.20 118.16 131.14 1b78 n LYS 32 Ca 0.30 0.42 0.14 0.00 -0.51 0.00 0.00 58.31 58.66 1b78 n LYS 32 Cb 0.36 -2.06 0.57 0.00 -0.51 0.00 0.00 35.03 33.39 1b78 n LYS 32 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1b78 n ASP 33 N -1.70 1.22 -2.03 4.39 5.75 -1.26 -4.92 116.55 117.99 1b78 n ASP 33 Ca -0.00 -1.34 -0.03 0.00 -0.01 0.00 0.00 54.79 53.40 1b78 n ASP 33 Cb 0.43 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 1b78 n ASP 33 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1b78 n VAL 34 N -0.10 0.00 -2.78 2.12 0.24 0.54 -4.70 118.33 113.66 1b78 n VAL 34 Ca 0.19 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.21 1b78 n VAL 34 Cb 0.32 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.71 1b78 n VAL 34 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1b78 s GLU 35 N 2.75 0.70 -0.18 7.34 2.56 -1.26 -5.07 118.70 125.53 1b78 s GLU 35 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 54.97 54.45 1b78 s GLU 35 Cb -0.12 -0.02 -0.05 0.00 2.00 0.00 0.00 34.13 35.94 1b78 s GLU 35 CO 0.08 -0.88 0.11 0.42 -0.56 0.00 0.00 175.26 174.43 1b78 s ILE 36 N 1.08 5.23 -0.08 -3.70 -1.09 -1.26 -3.20 121.20 118.18 1b78 s ILE 36 Ca 0.25 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1b78 s ILE 36 Cb 0.04 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1b78 s ILE 36 CO -0.08 0.48 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.28 1b78 s GLU 37 N 0.13 1.82 0.43 2.79 2.12 -0.48 -4.89 118.70 120.62 1b78 s GLU 37 Ca 0.08 -0.43 -0.26 0.00 0.36 0.00 0.00 54.97 54.71 1b78 s GLU 37 Cb -0.11 -1.56 -0.09 0.00 0.26 0.00 0.00 34.13 32.62 1b78 s GLU 37 CO -0.00 -0.03 1.42 -1.14 -0.54 0.00 0.00 175.26 174.96 1b78 s GLN 38 N 0.88 3.83 -0.06 4.30 0.74 -1.26 -0.42 119.66 127.66 1b78 s GLN 38 Ca -0.10 2.40 -0.03 0.00 0.05 0.00 0.00 55.36 57.69 1b78 s GLN 38 Cb -0.15 -2.74 0.04 0.00 1.10 0.00 0.00 33.01 31.25 1b78 s GLN 38 CO 0.01 -0.70 0.12 -1.50 -0.55 0.00 0.00 175.29 172.67 1b78 s ILE 39 N -1.19 -0.14 -1.41 -2.34 2.07 -0.15 -4.75 121.20 113.28 1b78 s ILE 39 Ca 0.58 0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 60.00 1b78 s ILE 39 Cb -0.43 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 1b78 s ILE 39 CO 0.56 0.12 2.54 0.29 -1.91 0.00 0.00 174.94 176.55 1b78 n LYS 40 N 4.82 3.04 -4.06 3.50 4.01 -1.26 -3.26 118.16 124.95 1b78 n LYS 40 Ca -0.14 -2.18 -0.35 0.00 -0.51 0.00 0.00 58.31 55.13 1b78 n LYS 40 Cb 0.50 -2.90 -0.14 0.00 -0.51 0.00 0.00 35.03 31.98 1b78 n LYS 40 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1b78 s ILE 41 N 2.88 3.32 0.56 -0.18 1.01 -1.26 -5.05 121.20 122.47 1b78 s ILE 41 Ca 0.58 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 1b78 s ILE 41 Cb 0.15 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1b78 s ILE 41 CO -0.05 0.45 0.93 -0.44 0.00 0.00 0.00 174.94 175.83 1b78 s SER 42 N 1.24 6.27 0.00 3.58 0.01 -1.26 -4.62 113.70 118.93 1b78 s SER 42 Ca 0.03 1.24 -0.17 0.00 1.31 0.00 0.00 55.95 58.37 1b78 s SER 42 Cb -0.14 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1b78 s SER 42 CO -0.02 -0.74 0.36 -0.72 0.41 0.00 0.00 173.24 172.53 1b78 s TYR 43 N -2.98 -0.22 0.33 2.43 1.13 -1.26 -4.88 117.35 111.91 1b78 s TYR 43 Ca 0.52 0.27 -0.28 0.00 -1.41 0.00 0.00 57.07 56.17 1b78 s TYR 43 Cb -0.11 0.14 -0.10 0.00 -1.10 0.00 0.00 41.96 40.80 1b78 s TYR 43 CO 0.49 -0.46 1.26 -2.14 -2.51 0.00 0.00 175.55 172.19 1b78 s PRO 44 N -1.76 4.35 -0.39 -3.49 0.02 -1.26 -4.97 135.00 127.50 1b78 s PRO 44 Ca -0.10 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 1b78 s PRO 44 Cb -0.03 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.52 1b78 s PRO 44 CO 0.02 -0.15 0.20 -1.21 -0.33 0.00 0.00 177.00 175.53 1b78 s GLU 45 N -1.81 2.52 0.64 5.54 2.02 -1.26 -4.55 118.70 121.81 1b78 s GLU 45 Ca 0.49 -1.43 -0.11 0.00 0.02 0.00 0.00 54.97 53.94 1b78 s GLU 45 Cb -0.38 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 1b78 s GLU 45 CO 0.50 -0.89 1.04 0.96 0.02 0.00 0.00 175.26 176.89 1b78 s ILE 46 N 1.38 4.45 0.03 -1.63 -4.36 -1.26 -5.00 121.20 114.80 1b78 s ILE 46 Ca 0.02 0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 60.90 1b78 s ILE 46 Cb -0.22 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 1b78 s ILE 46 CO 0.01 -1.04 1.07 -1.10 0.24 0.00 0.00 174.94 174.13 1b78 s GLN 47 N -5.19 4.51 0.00 0.37 -0.21 -1.26 -4.70 119.66 113.18 1b78 s GLN 47 Ca 0.56 1.57 0.00 0.00 0.02 0.00 0.00 55.36 57.51 1b78 s GLN 47 Cb -0.11 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.49 1b78 s GLN 47 CO 0.54 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1b78 n GLY 48 N 3.01 -0.54 3.92 3.09 0.00 -1.26 -4.97 105.19 108.44 1b78 n GLY 48 Ca 0.07 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1b78 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b78 s THR 49 N -3.28 2.95 0.22 2.61 -4.23 -1.26 -4.74 115.64 107.91 1b78 s THR 49 Ca 0.00 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1b78 s THR 49 Cb 0.00 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.77 1b78 s THR 49 CO 0.00 -0.24 1.77 -0.07 -0.54 0.00 0.00 174.62 175.54 1b78 h LEU 50 N -0.40 0.40 -0.50 4.79 4.07 -1.97 -0.63 115.31 121.07 1b78 h LEU 50 Ca -0.45 0.06 0.03 0.00 0.08 0.00 0.00 57.88 57.61 1b78 h LEU 50 Cb 1.29 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.98 1b78 h LEU 50 CO 0.61 0.24 0.28 -0.33 -1.08 0.00 0.00 178.44 178.15 1b78 h GLU 51 N 0.55 0.53 -0.73 1.13 3.07 -1.93 0.14 114.58 117.34 1b78 h GLU 51 Ca 0.33 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1b78 h GLU 51 Cb 0.34 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1b78 h GLU 51 CO -0.26 0.35 0.34 0.93 -1.40 0.00 0.00 179.01 178.96 1b78 h GLU 52 N 0.54 1.06 0.80 2.33 5.08 -1.74 0.21 114.58 122.87 1b78 h GLU 52 Ca 0.21 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1b78 h GLU 52 Cb 0.08 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1b78 h GLU 52 CO -0.13 0.84 -0.38 0.28 -1.00 0.00 0.00 179.01 178.62 1b78 h VAL 53 N 1.03 0.17 -0.34 3.13 2.07 -0.57 -1.38 116.25 120.34 1b78 h VAL 53 Ca 0.25 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1b78 h VAL 53 Cb 0.14 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1b78 h VAL 53 CO -0.03 0.01 0.23 0.00 0.02 0.00 0.00 177.57 177.80 1b78 h ALA 54 N -0.99 1.87 -0.07 1.67 0.00 -0.57 -0.87 119.26 120.31 1b78 h ALA 54 Ca -0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1b78 h ALA 54 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1b78 h ALA 54 CO 0.18 0.09 -0.19 1.49 0.00 0.00 0.00 179.25 180.82 1b78 h GLU 55 N 0.37 0.25 -0.54 0.00 4.81 -0.41 -1.87 114.58 117.18 1b78 h GLU 55 Ca 0.14 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1b78 h GLU 55 Cb 0.10 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1b78 h GLU 55 CO -0.03 0.79 0.17 0.35 -0.73 0.00 0.00 179.01 179.56 1b78 h PHE 56 N -0.26 0.88 -0.24 0.92 3.04 -1.11 -2.83 116.94 117.34 1b78 h PHE 56 Ca -0.01 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1b78 h PHE 56 Cb 0.81 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1b78 h PHE 56 CO 0.12 0.75 0.10 0.78 -2.02 0.00 0.00 178.31 178.04 1b78 h GLY 57 N 0.76 0.38 1.00 2.40 0.00 -1.19 -0.42 103.07 106.00 1b78 h GLY 57 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1b78 h GLY 57 CO -0.00 0.20 0.23 0.00 0.00 0.00 0.00 176.54 176.96 1b78 h ALA 58 N 0.94 0.44 -0.60 3.60 0.00 -1.35 -0.63 119.26 121.65 1b78 h ALA 58 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1b78 h ALA 58 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1b78 h ALA 58 CO -0.01 -0.09 0.37 -0.22 0.00 0.00 0.00 179.25 179.31 1b78 h LYS 59 N 0.47 0.72 -0.62 0.00 1.63 -1.43 -0.11 116.57 117.23 1b78 h LYS 59 Ca 0.13 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1b78 h LYS 59 Cb -0.04 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 1b78 h LYS 59 CO -0.03 0.48 0.40 2.35 -3.45 0.00 0.00 179.45 179.20 1b78 h TRP 60 N 0.74 0.79 -0.16 1.91 2.91 -0.40 -1.45 115.95 120.29 1b78 h TRP 60 Ca 0.24 0.01 -0.22 0.00 1.13 0.00 0.00 58.89 60.06 1b78 h TRP 60 Cb 0.01 -0.26 0.01 0.00 -0.51 0.00 0.00 29.16 28.40 1b78 h TRP 60 CO -0.05 0.50 -0.75 -0.39 -1.03 0.00 0.00 178.44 176.72 1b78 h VAL 61 N 0.84 1.28 -0.49 2.65 -1.51 -0.87 -3.19 116.25 114.96 1b78 h VAL 61 Ca 0.23 -1.95 0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1b78 h VAL 61 Cb -0.08 1.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 1b78 h VAL 61 CO -0.05 0.62 0.30 0.22 -1.23 0.00 0.00 177.57 177.43 1b78 h TYR 62 N 0.52 0.55 -0.65 5.19 3.20 -0.91 0.12 116.97 124.99 1b78 h TYR 62 Ca -0.05 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.02 1b78 h TYR 62 Cb 1.38 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1b78 h TYR 62 CO 0.09 0.32 0.53 -2.95 -1.64 0.00 0.00 178.16 174.51 1b78 h ASN 63 N 0.59 0.00 0.00 -2.11 -1.07 -1.26 1.65 115.58 113.39 1b78 h ASN 63 Ca 0.19 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.43 1b78 h ASN 63 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 1b78 h ASN 63 CO -0.08 0.00 -0.90 0.40 0.07 0.00 0.00 177.43 176.92 1b78 h ILE 64 N 0.00 0.55 -0.10 6.14 2.04 -1.29 -3.41 117.51 121.44 1b78 h ILE 64 Ca 0.31 -1.69 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1b78 h ILE 64 Cb 1.36 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1b78 h ILE 64 CO -0.00 0.19 -0.39 0.25 0.00 0.00 0.00 178.15 178.20 1b78 h LEU 65 N -1.00 0.51 1.51 1.44 5.85 -0.41 -3.48 115.31 119.74 1b78 h LEU 65 Ca -0.19 -0.62 -0.23 0.00 0.84 0.00 0.00 57.88 57.67 1b78 h LEU 65 Cb 0.95 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1b78 h LEU 65 CO -0.12 1.05 -0.29 0.29 -0.34 0.00 0.00 178.44 179.04 1b78 n LYS 66 N -4.34 -0.91 -3.88 1.25 4.76 0.56 -5.01 118.16 110.59 1b78 n LYS 66 Ca -0.08 0.60 -0.11 0.00 -2.87 0.00 0.00 58.31 55.85 1b78 n LYS 66 Cb 0.53 -4.73 -0.13 0.00 -1.84 0.00 0.00 35.03 28.87 1b78 n LYS 66 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b78 s LYS 67 N -4.38 0.15 -0.28 1.97 1.02 -1.26 -5.00 119.74 111.96 1b78 s LYS 67 Ca 0.00 -0.09 -0.33 0.00 0.02 0.00 0.00 55.97 55.57 1b78 s LYS 67 Cb 0.00 0.06 -0.14 0.00 -0.52 0.00 0.00 37.83 37.23 1b78 s LYS 67 CO 0.00 -0.03 1.07 -2.30 -0.92 0.00 0.00 175.35 173.17 1b78 n PRO 68 N 2.64 0.00 -4.12 -1.68 -0.02 -1.26 -4.81 135.00 125.75 1b78 n PRO 68 Ca -0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.21 1b78 n PRO 68 Cb 0.58 -1.08 -0.11 0.00 -0.02 0.00 0.00 33.50 32.87 1b78 n PRO 68 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1b78 s VAL 69 N 1.66 0.61 0.09 -1.45 1.01 -0.69 -1.71 120.40 119.92 1b78 s VAL 69 Ca 0.74 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1b78 s VAL 69 Cb -1.05 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1b78 s VAL 69 CO 0.55 -0.67 -0.12 0.27 0.00 0.00 0.00 175.10 175.13 1b78 s ILE 70 N -2.66 1.07 0.22 2.22 -4.36 0.22 -0.78 121.20 117.12 1b78 s ILE 70 Ca 0.02 -1.50 -0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1b78 s ILE 70 Cb -0.01 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 1b78 s ILE 70 CO -0.03 -0.39 0.19 0.68 0.24 0.00 0.00 174.94 175.62 1b78 s VAL 71 N -1.88 0.00 -0.01 8.37 -7.23 0.32 -1.85 120.40 118.12 1b78 s VAL 71 Ca 0.03 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.05 1b78 s VAL 71 Cb -0.06 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1b78 s VAL 71 CO 0.02 0.00 0.48 -0.70 -0.31 0.00 0.00 175.10 174.58 1b78 s GLU 72 N -4.07 0.88 -0.12 4.82 -6.30 -1.26 -0.55 118.70 112.11 1b78 s GLU 72 Ca 0.37 -0.06 -0.08 0.00 -2.50 0.00 0.00 54.97 52.70 1b78 s GLU 72 Cb 0.06 0.40 0.04 0.00 0.00 0.00 0.00 34.13 34.63 1b78 s GLU 72 CO 0.13 -0.27 0.29 0.34 0.02 0.00 0.00 175.26 175.76 1b78 s ASP 73 N -1.45 -0.32 0.23 -1.70 3.68 -0.46 -4.97 116.67 111.68 1b78 s ASP 73 Ca -0.11 0.60 0.07 0.00 2.13 0.00 0.00 52.55 55.25 1b78 s ASP 73 Cb -0.02 0.54 -0.05 0.00 -1.45 0.00 0.00 42.92 41.94 1b78 s ASP 73 CO 0.05 -0.14 -0.11 -0.44 0.13 0.00 0.00 175.17 174.65 1b78 s SER 74 N 0.81 2.62 0.14 -0.34 0.01 -1.26 -0.54 113.70 115.15 1b78 s SER 74 Ca -0.05 -1.08 -0.22 0.00 1.31 0.00 0.00 55.95 55.90 1b78 s SER 74 Cb -0.07 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.08 1b78 s SER 74 CO -0.05 -0.24 0.55 -0.83 0.41 0.00 0.00 173.24 173.09 1b78 s GLY 75 N -3.36 -0.53 -0.21 3.44 0.00 -0.24 -4.82 107.32 101.61 1b78 s GLY 75 Ca 0.25 0.41 -0.05 0.00 0.00 0.00 0.00 44.72 45.34 1b78 s GLY 75 CO 0.09 0.10 -0.00 -0.12 0.00 0.00 0.00 173.10 173.16 1b78 s PHE 76 N -3.57 3.02 -0.22 1.90 5.99 -1.25 -1.73 117.98 122.13 1b78 s PHE 76 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 56.93 56.42 1b78 s PHE 76 Cb -0.00 -2.09 0.04 0.00 0.00 0.00 0.00 43.02 40.97 1b78 s PHE 76 CO -0.11 -0.30 -0.13 -0.06 -0.00 0.00 0.00 175.22 174.62 1b78 s PHE 77 N 1.11 2.82 -0.23 10.12 0.08 -0.50 -1.16 117.98 130.23 1b78 s PHE 77 Ca 0.02 -1.88 -0.09 0.00 0.12 0.00 0.00 56.93 55.10 1b78 s PHE 77 Cb -0.14 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1b78 s PHE 77 CO 0.01 -0.81 0.13 0.14 -0.10 0.00 0.00 175.22 174.59 1b78 s VAL 78 N 1.26 5.12 0.15 -0.44 -7.23 -0.69 -1.91 120.40 116.66 1b78 s VAL 78 Ca -0.02 0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 59.99 1b78 s VAL 78 Cb -0.17 -3.37 0.01 0.00 0.56 0.00 0.00 36.38 33.42 1b78 s VAL 78 CO -0.08 0.37 1.60 -0.08 -0.31 0.00 0.00 175.10 176.60 1b78 h GLU 79 N 7.38 -0.33 0.00 4.82 4.81 -1.67 0.26 114.58 129.85 1b78 h GLU 79 Ca -0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1b78 h GLU 79 Cb 1.17 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1b78 h GLU 79 CO 0.66 -0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 1b78 h ALA 80 N 0.54 1.00 -0.52 2.92 0.00 -1.77 -0.73 119.26 120.70 1b78 h ALA 80 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1b78 h ALA 80 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1b78 h ALA 80 CO -0.45 0.00 0.10 1.28 0.00 0.00 0.00 179.25 180.18 1b78 n LEU 81 N -2.82 5.11 -2.88 0.00 4.77 -0.86 -4.95 117.00 115.38 1b78 n LEU 81 Ca -0.02 -3.18 -0.22 0.00 -0.03 0.00 0.00 56.01 52.56 1b78 n LEU 81 Cb 0.12 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1b78 n LEU 81 CO 0.19 0.79 -0.06 0.59 -1.33 0.00 0.00 177.39 177.57 1b78 n ASN 82 N -0.27 -6.04 0.00 -1.43 3.02 -0.28 -2.39 115.26 107.87 1b78 n ASN 82 Ca 0.32 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1b78 n ASN 82 Cb 1.16 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1b78 n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b78 n GLY 83 N -1.40 0.95 3.77 7.41 0.00 0.02 -4.98 105.19 110.96 1b78 n GLY 83 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1b78 n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b78 s PHE 84 N -2.55 3.04 -0.84 1.61 5.36 -1.01 -1.39 117.98 122.20 1b78 s PHE 84 Ca 0.00 1.53 0.27 0.00 -0.96 0.00 0.00 56.93 57.77 1b78 s PHE 84 Cb 0.00 -3.45 0.89 0.00 -0.34 0.00 0.00 43.02 40.12 1b78 s PHE 84 CO 0.00 -1.45 1.76 -0.35 -1.46 0.00 0.00 175.22 173.72 1b78 n PRO 85 N 0.15 0.15 0.00 10.12 -0.04 -1.17 -1.70 135.00 142.51 1b78 n PRO 85 Ca 0.04 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1b78 n PRO 85 Cb 0.46 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1b78 n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b78 n GLY 86 N 1.40 3.14 0.11 0.55 0.00 -0.31 -1.22 105.19 108.86 1b78 n GLY 86 Ca 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1b78 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b78 n THR 87 N 0.00 1.01 -1.14 2.61 -2.24 -1.26 -1.66 114.28 111.61 1b78 n THR 87 Ca 0.00 0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 62.03 1b78 n THR 87 Cb 0.00 -1.32 0.25 0.00 -2.10 0.00 0.00 70.33 67.16 1b78 n THR 87 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1b78 n TYR 88 N -2.07 2.73 -0.30 4.78 4.01 -0.35 -4.66 117.16 121.29 1b78 n TYR 88 Ca 0.01 -1.50 0.01 0.00 -0.16 0.00 0.00 57.90 56.26 1b78 n TYR 88 Cb 0.15 -0.80 0.14 0.00 -0.31 0.00 0.00 39.34 38.51 1b78 n TYR 88 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1b78 h SER 89 N 1.93 0.81 -0.08 7.72 0.02 -1.34 -1.95 113.55 120.66 1b78 h SER 89 Ca 0.43 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 1b78 h SER 89 Cb 2.58 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.96 1b78 h SER 89 CO 0.90 0.52 0.02 0.50 -1.14 0.00 0.00 176.83 177.63 1b78 h LYS 90 N 0.95 0.13 -0.58 3.45 3.11 -1.87 0.10 116.57 121.86 1b78 h LYS 90 Ca 0.37 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 58.21 1b78 h LYS 90 Cb 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1b78 h LYS 90 CO -0.17 0.33 0.34 0.35 -2.81 0.00 0.00 179.45 177.48 1b78 h PHE 91 N -0.09 0.62 -0.53 1.91 3.04 -1.90 -0.69 116.94 119.31 1b78 h PHE 91 Ca 0.03 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.88 1b78 h PHE 91 Cb 0.26 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1b78 h PHE 91 CO 0.01 0.34 -0.13 0.28 -2.02 0.00 0.00 178.31 176.78 1b78 h VAL 92 N 0.65 1.27 -0.67 1.41 2.07 -1.27 -0.53 116.25 119.17 1b78 h VAL 92 Ca 0.24 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1b78 h VAL 92 Cb 0.07 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1b78 h VAL 92 CO -0.12 0.46 0.25 -0.61 0.02 0.00 0.00 177.57 177.56 1b78 h GLN 93 N 0.91 1.02 0.00 1.57 5.75 -0.43 -0.75 115.11 123.17 1b78 h GLN 93 Ca 0.13 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1b78 h GLN 93 Cb 0.71 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1b78 h GLN 93 CO 0.05 0.86 0.00 1.05 -2.65 0.00 0.00 178.83 178.14 1b78 h GLU 94 N 0.96 0.00 0.00 1.69 4.11 -0.89 -2.31 114.58 118.14 1b78 h GLU 94 Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.44 1b78 h GLU 94 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1b78 h GLU 94 CO -0.01 0.00 -1.36 0.25 0.07 0.00 0.00 179.01 177.96 1b78 n THR 95 N -2.92 1.50 0.30 -1.06 -2.24 -0.23 -4.72 114.28 104.91 1b78 n THR 95 Ca 0.04 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1b78 n THR 95 Cb 0.48 -2.12 -0.08 0.00 -2.10 0.00 0.00 70.33 66.51 1b78 n THR 95 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1b78 n ILE 96 N -4.44 0.00 -4.65 2.28 -5.35 -0.35 -5.07 119.36 101.78 1b78 n ILE 96 Ca -0.30 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1b78 n ILE 96 Cb 0.62 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 1b78 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b78 n GLY 97 N 1.51 -1.26 0.18 3.28 0.00 -0.84 -1.43 105.19 106.64 1b78 n GLY 97 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1b78 n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1b78 h ASN 98 N 0.00 0.28 -0.83 1.61 -0.26 -1.90 -2.68 115.58 111.80 1b78 h ASN 98 Ca 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.57 1b78 h ASN 98 Cb 0.00 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 1b78 h ASN 98 CO 0.00 0.77 0.45 1.05 -1.06 0.00 0.00 177.43 178.64 1b78 h GLU 99 N 0.20 1.17 -0.59 0.81 9.09 -1.98 -0.91 114.58 122.36 1b78 h GLU 99 Ca 0.00 -0.14 -0.07 0.00 0.05 0.00 0.00 59.36 59.21 1b78 h GLU 99 Cb 1.02 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 27.86 1b78 h GLU 99 CO 0.08 0.86 0.12 0.78 0.05 0.00 0.00 179.01 180.90 1b78 h GLY 100 N 1.19 1.05 1.71 1.06 0.00 -0.92 -1.12 103.07 106.04 1b78 h GLY 100 Ca 0.29 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1b78 h GLY 100 CO -0.05 0.63 -0.40 1.19 0.00 0.00 0.00 176.54 177.91 1b78 h ILE 101 N 0.88 1.31 -0.45 2.60 6.09 -1.14 -2.31 117.51 124.49 1b78 h ILE 101 Ca 0.18 -1.52 -0.09 0.00 -1.37 0.00 0.00 64.86 62.06 1b78 h ILE 101 Cb 0.39 1.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1b78 h ILE 101 CO 0.01 0.46 -0.09 -0.07 -3.07 0.00 0.00 178.15 175.39 1b78 h LEU 102 N 0.27 0.86 -0.51 2.19 4.07 -0.97 -1.41 115.31 119.82 1b78 h LEU 102 Ca 0.03 -0.35 0.06 0.00 0.08 0.00 0.00 57.88 57.69 1b78 h LEU 102 Cb 0.83 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.28 1b78 h LEU 102 CO 0.07 1.01 0.22 0.50 -1.08 0.00 0.00 178.44 179.15 1b78 h LYS 103 N 0.69 0.41 -0.21 1.13 3.11 -1.07 -0.69 116.57 119.95 1b78 h LYS 103 Ca 0.12 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.88 1b78 h LYS 103 Cb 0.62 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1b78 h LYS 103 CO 0.04 0.27 -0.12 -0.07 -2.81 0.00 0.00 179.45 176.76 1b78 h LEU 104 N 0.42 0.32 -0.31 5.20 4.07 -1.15 -2.79 115.31 121.07 1b78 h LEU 104 Ca 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1b78 h LEU 104 Cb 0.21 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1b78 h LEU 104 CO -0.21 0.47 -0.39 0.18 -1.08 0.00 0.00 178.44 177.41 1b78 n LEU 105 N -4.25 0.88 -4.52 1.67 4.77 -0.55 -4.92 117.00 110.07 1b78 n LEU 105 Ca -0.00 -0.20 -0.49 0.00 -0.03 0.00 0.00 56.01 55.29 1b78 n LEU 105 Cb 0.28 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1b78 n LEU 105 CO 0.39 0.18 0.47 -0.62 -1.33 0.00 0.00 177.39 176.48 1b78 n GLU 106 N -0.98 0.72 -1.82 3.23 1.02 -0.34 -0.06 120.64 122.43 1b78 n GLU 106 Ca 0.09 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.29 1b78 n GLU 106 Cb 0.35 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1b78 n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b78 n GLY 107 N 1.79 1.20 3.35 0.62 0.00 -1.26 -4.95 105.19 105.94 1b78 n GLY 107 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1b78 n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b78 s LYS 108 N -4.07 3.44 0.00 1.61 2.47 0.92 -4.99 119.74 119.11 1b78 s LYS 108 Ca 0.00 -0.60 0.05 0.00 -1.56 0.00 0.00 55.97 53.86 1b78 s LYS 108 Cb 0.00 -3.03 -0.24 0.00 -1.46 0.00 0.00 37.83 33.10 1b78 s LYS 108 CO 0.00 -0.14 0.84 -0.44 0.16 0.00 0.00 175.35 175.77 1b78 h ASP 109 N 7.95 0.16 -1.68 1.43 5.19 -1.93 -3.41 116.42 124.14 1b78 h ASP 109 Ca -0.40 -0.26 -0.50 0.00 -0.62 0.00 0.00 57.03 55.25 1b78 h ASP 109 Cb 1.17 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.55 1b78 h ASP 109 CO 0.60 1.22 1.19 0.21 -3.12 0.00 0.00 179.24 179.33 1b78 s ASN 110 N -6.60 5.87 -0.12 6.45 2.47 -1.26 -4.77 114.94 116.98 1b78 s ASN 110 Ca -0.06 -0.56 0.17 0.00 0.42 0.00 0.00 52.86 52.83 1b78 s ASN 110 Cb 0.08 -2.56 0.64 0.00 -1.45 0.00 0.00 41.25 37.97 1b78 s ASN 110 CO 0.83 -2.03 1.56 0.54 -3.72 0.00 0.00 177.10 174.27 1b78 n ARG 111 N 9.13 3.61 -1.79 0.43 1.74 -1.26 -4.26 116.66 124.24 1b78 n ARG 111 Ca 0.21 -2.80 -0.39 0.00 -0.77 0.00 0.00 57.85 54.09 1b78 n ARG 111 Cb 0.50 -1.84 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1b78 n ARG 111 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1b78 s ASN 112 N -1.10 5.65 0.29 0.55 0.01 -1.26 -0.65 114.94 118.44 1b78 s ASN 112 Ca 0.46 2.87 -0.15 0.00 -0.71 0.00 0.00 52.86 55.33 1b78 s ASN 112 Cb 0.31 -2.65 0.01 0.00 0.41 0.00 0.00 41.25 39.34 1b78 s ASN 112 CO 0.20 -1.32 0.61 0.00 -1.51 0.00 0.00 177.10 175.08 1b78 s ALA 113 N -1.24 -0.57 -0.03 0.60 0.00 -0.71 -1.79 121.76 118.01 1b78 s ALA 113 Ca 0.65 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 1b78 s ALA 113 Cb -0.43 0.94 0.07 0.00 0.00 0.00 0.00 23.12 23.70 1b78 s ALA 113 CO 0.53 -0.94 0.64 1.52 0.00 0.00 0.00 175.76 177.51 1b78 s TYR 114 N -3.63 -0.60 -0.04 0.00 1.13 -0.80 -0.66 117.35 112.74 1b78 s TYR 114 Ca 0.18 0.99 -0.02 0.00 -1.41 0.00 0.00 57.07 56.82 1b78 s TYR 114 Cb -0.03 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1b78 s TYR 114 CO 0.10 -0.60 0.07 -0.06 -2.51 0.00 0.00 175.55 172.55 1b78 s PHE 115 N -1.35 3.30 0.02 -3.49 0.40 -0.06 -1.40 117.98 115.39 1b78 s PHE 115 Ca -0.11 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1b78 s PHE 115 Cb -0.01 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 1b78 s PHE 115 CO 0.08 0.56 -0.05 0.21 0.70 0.00 0.00 175.22 176.72 1b78 s LYS 116 N -1.40 0.37 -0.03 0.44 2.20 -0.70 -1.12 119.74 119.50 1b78 s LYS 116 Ca 0.19 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1b78 s LYS 116 Cb -0.12 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 1b78 s LYS 116 CO 0.09 0.03 -0.07 0.99 -0.36 0.00 0.00 175.35 176.04 1b78 s THR 117 N -0.90 0.64 -0.11 3.43 2.01 -0.52 -1.08 115.64 119.12 1b78 s THR 117 Ca -0.07 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1b78 s THR 117 Cb -0.07 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1b78 s THR 117 CO -0.00 0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 1b78 s VAL 118 N 0.44 1.46 -0.14 3.82 1.01 0.30 -1.91 120.40 125.38 1b78 s VAL 118 Ca -0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1b78 s VAL 118 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1b78 s VAL 118 CO 0.00 0.43 0.12 -0.63 0.00 0.00 0.00 175.10 175.03 1b78 s ILE 119 N 1.05 5.32 -0.20 2.22 1.01 0.18 -1.35 121.20 129.43 1b78 s ILE 119 Ca -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 1b78 s ILE 119 Cb -0.15 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1b78 s ILE 119 CO -0.02 0.56 -0.09 -0.83 0.00 0.00 0.00 174.94 174.55 1b78 s GLY 120 N -0.51 1.55 0.01 6.18 0.00 0.29 -1.13 107.32 113.70 1b78 s GLY 120 Ca 0.12 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.76 1b78 s GLY 120 CO 0.02 0.28 -0.14 -0.47 0.00 0.00 0.00 173.10 172.80 1b78 s TYR 121 N 1.23 2.69 -0.09 1.90 5.04 -0.45 -0.52 117.35 127.15 1b78 s TYR 121 Ca 0.03 -0.17 -0.06 0.00 -2.44 0.00 0.00 57.07 54.43 1b78 s TYR 121 Cb -0.14 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.66 1b78 s TYR 121 CO -0.04 0.28 0.23 0.00 -1.34 0.00 0.00 175.55 174.68 1b78 n ASP 123 N 3.61 1.37 0.00 0.00 10.43 -0.90 -1.71 116.55 129.35 1b78 n ASP 123 Ca -0.19 -0.76 0.10 0.00 2.57 0.00 0.00 54.79 56.51 1b78 n ASP 123 Cb 0.56 0.00 0.46 0.00 1.84 0.00 0.00 41.12 43.97 1b78 n ASP 123 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1b78 n GLU 124 N 0.00 0.02 0.00 -1.24 0.28 -1.26 -2.32 120.64 116.12 1b78 n GLU 124 Ca 0.00 0.13 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 1b78 n GLU 124 Cb 0.00 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.41 1b78 n GLU 124 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1b78 n ASN 125 N -1.49 0.73 0.00 -1.84 3.02 -1.26 -5.08 115.26 109.34 1b78 n ASN 125 Ca 0.05 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1b78 n ASN 125 Cb 0.24 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 1b78 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b78 n GLY 126 N 1.47 -0.07 3.91 7.41 0.00 -0.98 -5.07 105.19 111.85 1b78 n GLY 126 Ca 0.04 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 1b78 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b78 s VAL 127 N 0.00 4.94 -0.15 1.61 1.01 -1.26 -2.11 120.40 124.44 1b78 s VAL 127 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 1b78 s VAL 127 Cb 0.00 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1b78 s VAL 127 CO 0.00 -0.79 0.37 -0.13 0.00 0.00 0.00 175.10 174.55 1b78 s ARG 128 N -4.64 0.39 0.03 2.72 1.81 -0.36 -4.97 118.95 113.93 1b78 s ARG 128 Ca 0.46 0.63 0.05 0.00 -1.72 0.00 0.00 55.73 55.15 1b78 s ARG 128 Cb -0.10 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 1b78 s ARG 128 CO 0.43 -0.11 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.33 1b78 s LEU 129 N 0.80 2.99 -0.05 2.53 1.43 -1.26 -1.34 118.68 123.78 1b78 s LEU 129 Ca -0.05 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1b78 s LEU 129 Cb -0.06 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1b78 s LEU 129 CO -0.06 0.26 -0.07 -0.36 0.23 0.00 0.00 176.35 176.35 1b78 s PHE 130 N -1.01 0.95 0.28 0.29 0.08 -0.29 -4.96 117.98 113.32 1b78 s PHE 130 Ca 0.17 -0.30 0.12 0.00 0.12 0.00 0.00 56.93 57.04 1b78 s PHE 130 Cb -0.11 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 1b78 s PHE 130 CO 0.08 -0.21 -0.19 0.15 -0.10 0.00 0.00 175.22 174.95 1b78 s LYS 131 N 0.81 1.66 -0.09 0.44 1.02 -1.26 0.47 119.74 122.79 1b78 s LYS 131 Ca -0.13 -1.76 -0.12 0.00 0.02 0.00 0.00 55.97 53.98 1b78 s LYS 131 Cb -0.15 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.46 1b78 s LYS 131 CO 0.01 0.31 0.32 0.20 -0.92 0.00 0.00 175.35 175.28 1b78 s GLY 132 N -3.50 -0.21 -0.04 -3.33 0.00 -0.80 -3.76 107.32 95.68 1b78 s GLY 132 Ca 0.30 0.71 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 1b78 s GLY 132 CO 0.15 0.56 0.12 -0.42 0.00 0.00 0.00 173.10 173.50 1b78 s ILE 133 N -0.33 0.01 -0.16 0.90 1.01 -1.26 -1.44 121.20 119.92 1b78 s ILE 133 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1b78 s ILE 133 Cb -0.03 -0.18 0.04 0.00 0.01 0.00 0.00 42.46 42.29 1b78 s ILE 133 CO 0.02 -0.02 -0.05 -0.69 0.00 0.00 0.00 174.94 174.19 1b78 s VAL 134 N -0.02 1.11 0.43 2.92 1.01 -0.27 -4.76 120.40 120.82 1b78 s VAL 134 Ca -0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1b78 s VAL 134 Cb -0.01 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1b78 s VAL 134 CO 0.00 0.14 0.80 -0.54 0.00 0.00 0.00 175.10 175.50 1b78 s LYS 135 N 1.63 3.74 0.00 2.72 1.02 -1.26 -0.89 119.74 126.71 1b78 s LYS 135 Ca 0.01 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1b78 s LYS 135 Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1b78 s LYS 135 CO -0.08 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1b78 n GLY 136 N -1.54 1.40 3.25 -3.33 0.00 0.16 -1.25 105.19 103.87 1b78 n GLY 136 Ca 0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1b78 n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1b78 s ARG 137 N 2.08 0.93 -0.21 1.61 1.70 -0.67 -1.74 118.95 122.64 1b78 s ARG 137 Ca 0.00 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.19 1b78 s ARG 137 Cb 0.00 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1b78 s ARG 137 CO 0.00 -0.32 0.53 0.08 -1.08 0.00 0.00 175.30 174.50 1b78 s VAL 138 N -3.85 5.09 1.09 4.99 1.01 0.18 -1.01 120.40 127.91 1b78 s VAL 138 Ca 0.05 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 1b78 s VAL 138 Cb 0.04 -3.85 0.24 0.00 0.00 0.00 0.00 36.38 32.81 1b78 s VAL 138 CO -0.11 0.16 1.06 -0.94 0.00 0.00 0.00 175.10 175.27 1b78 s SER 139 N 1.21 1.60 0.00 3.32 1.04 0.50 -4.90 113.70 116.46 1b78 s SER 139 Ca 0.24 1.70 0.28 0.00 0.48 0.00 0.00 55.95 58.65 1b78 s SER 139 Cb -0.15 -2.37 1.11 0.00 0.10 0.00 0.00 66.02 64.71 1b78 s SER 139 CO 0.10 -3.85 1.81 -1.84 0.98 0.00 0.00 173.24 170.44 1b78 n GLU 140 N -4.69 0.28 -3.70 4.02 -0.00 -1.26 -4.92 120.64 110.36 1b78 n GLU 140 Ca 0.06 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.16 57.04 1b78 n GLU 140 Cb 0.54 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.45 1b78 n GLU 140 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1b78 s GLU 141 N -2.78 1.50 0.26 3.44 -1.05 -1.26 -5.07 118.70 113.75 1b78 s GLU 141 Ca 0.20 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 1b78 s GLU 141 Cb 0.19 0.57 -0.10 0.00 -0.44 0.00 0.00 34.13 34.35 1b78 s GLU 141 CO 0.54 -0.66 1.35 0.42 0.95 0.00 0.00 175.26 177.86 1b78 s ILE 142 N -3.86 2.86 -0.11 1.83 -1.09 -1.26 -4.72 121.20 114.85 1b78 s ILE 142 Ca 0.08 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.22 1b78 s ILE 142 Cb -0.03 -3.49 0.06 0.00 -1.58 0.00 0.00 42.46 37.42 1b78 s ILE 142 CO -0.02 0.14 0.23 -0.13 -1.23 0.00 0.00 174.94 173.93 1b78 s ARG 143 N -0.79 0.13 -0.03 2.79 0.52 -0.47 -5.04 118.95 116.06 1b78 s ARG 143 Ca 0.55 0.64 -0.20 0.00 -0.52 0.00 0.00 55.73 56.20 1b78 s ARG 143 Cb -0.39 -0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.00 1b78 s ARG 143 CO 0.45 -0.26 0.44 0.45 0.02 0.00 0.00 175.30 176.39 1b78 s SER 144 N 2.11 -0.35 -0.02 0.23 0.15 -1.26 -4.38 113.70 110.17 1b78 s SER 144 Ca -0.01 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1b78 s SER 144 Cb -0.12 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1b78 s SER 144 CO -0.08 -0.50 1.01 0.29 1.20 0.00 0.00 173.24 175.16 1b78 n LYS 145 N 1.15 2.61 0.00 5.44 5.02 -0.48 -4.91 118.16 127.00 1b78 n LYS 145 Ca -0.21 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 1b78 n LYS 145 Cb 0.56 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1b78 n LYS 145 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b78 n GLY 146 N -0.63 0.20 3.85 0.72 0.00 -1.21 -4.99 105.19 103.12 1b78 n GLY 146 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1b78 n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b78 s TYR 147 N -2.00 3.45 0.03 1.61 2.02 -0.85 -4.96 117.35 116.65 1b78 s TYR 147 Ca 0.00 1.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.88 1b78 s TYR 147 Cb 0.00 -2.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 1b78 s TYR 147 CO 0.00 0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1b78 n GLY 148 N -0.05 -1.70 3.41 0.71 0.00 -1.26 -3.95 105.19 102.35 1b78 n GLY 148 Ca 0.01 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1b78 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b78 s PHE 149 N -0.27 1.06 0.00 1.61 0.08 -1.26 -5.00 117.98 114.19 1b78 s PHE 149 Ca 0.00 -1.26 0.00 0.00 0.12 0.00 0.00 56.93 55.79 1b78 s PHE 149 Cb 0.00 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.20 1b78 s PHE 149 CO 0.00 -0.94 0.00 0.00 -0.10 0.00 0.00 175.22 174.18 1b78 n ALA 150 N -0.47 0.00 1.63 5.36 0.00 -1.26 -1.17 120.51 124.61 1b78 n ALA 150 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1b78 n ALA 150 Cb 0.63 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.88 1b78 n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b78 n TYR 151 N 11.89 0.00 -0.07 0.00 4.01 -1.26 -3.68 117.16 128.05 1b78 n TYR 151 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1b78 n TYR 151 Cb 0.00 -0.09 0.55 0.00 -0.31 0.00 0.00 39.34 39.49 1b78 n TYR 151 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1b78 h ASP 152 N 0.00 0.28 0.21 7.72 3.45 -1.51 -0.81 116.42 125.75 1b78 h ASP 152 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1b78 h ASP 152 Cb 0.08 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1b78 h ASP 152 CO 0.00 0.16 0.00 -1.54 -1.57 0.00 0.00 179.24 176.29 1b78 n SER 153 N -4.45 0.00 0.00 6.45 3.41 -1.24 -1.76 113.62 116.03 1b78 n SER 153 Ca 0.10 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1b78 n SER 153 Cb 0.45 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1b78 n SER 153 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1b78 n ILE 154 N -1.14 0.39 -3.78 -1.33 -5.35 -0.34 -1.36 119.36 106.44 1b78 n ILE 154 Ca 0.14 -0.47 -0.37 0.00 -0.27 0.00 0.00 62.75 61.77 1b78 n ILE 154 Cb 0.13 0.94 -0.13 0.00 -1.74 0.00 0.00 39.64 38.83 1b78 n ILE 154 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1b78 s PHE 155 N -0.39 3.14 -0.41 4.28 2.19 -1.00 -0.37 117.98 125.42 1b78 s PHE 155 Ca 0.00 -1.02 -0.14 0.00 0.33 0.00 0.00 56.93 56.10 1b78 s PHE 155 Cb 0.00 -2.23 0.02 0.00 -1.31 0.00 0.00 43.02 39.50 1b78 s PHE 155 CO 0.00 -0.59 0.29 0.42 1.83 0.00 0.00 175.22 177.18 1b78 s ILE 156 N 1.49 5.15 0.65 3.12 1.01 -0.18 -0.56 121.20 131.89 1b78 s ILE 156 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1b78 s ILE 156 Cb -0.17 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1b78 s ILE 156 CO 0.02 -0.31 1.07 -2.16 0.00 0.00 0.00 174.94 173.56 1b78 s PRO 157 N 1.66 3.00 0.00 2.79 0.04 -1.26 -1.68 135.00 139.55 1b78 s PRO 157 Ca 0.04 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1b78 s PRO 157 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1b78 s PRO 157 CO 0.09 -1.07 0.00 0.39 0.04 0.00 0.00 177.00 176.46 1b78 n GLU 158 N -2.51 0.00 -0.79 4.56 1.02 -0.38 -0.85 120.64 121.68 1b78 n GLU 158 Ca 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1b78 n GLU 158 Cb 0.53 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.22 1b78 n GLU 158 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1b78 n GLU 159 N 1.12 3.08 -1.60 3.49 4.71 -1.26 -4.88 120.64 125.29 1b78 n GLU 159 Ca 0.00 -3.03 -0.29 0.00 -0.01 0.00 0.00 57.16 53.83 1b78 n GLU 159 Cb 0.00 -2.02 0.14 0.00 -1.01 0.00 0.00 31.44 28.56 1b78 n GLU 159 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1b78 s GLU 160 N -3.00 1.05 -0.02 3.49 8.01 -0.03 -4.99 118.70 123.20 1b78 s GLU 160 Ca 0.49 0.16 0.06 0.00 0.01 0.00 0.00 54.97 55.68 1b78 s GLU 160 Cb 0.40 -1.84 -0.08 0.00 -4.31 0.00 0.00 34.13 28.30 1b78 s GLU 160 CO 0.09 -2.24 0.10 0.39 0.01 0.00 0.00 175.26 173.62 1b78 n GLU 161 N -3.77 0.90 -3.50 1.61 4.71 -1.26 -4.84 120.64 114.50 1b78 n GLU 161 Ca 0.08 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.16 56.90 1b78 n GLU 161 Cb 0.60 -1.14 -0.04 0.00 -1.01 0.00 0.00 31.44 29.85 1b78 n GLU 161 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1b78 s ARG 162 N -2.33 3.61 0.66 3.49 0.52 -1.26 -5.02 118.95 118.63 1b78 s ARG 162 Ca -0.02 -0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 1b78 s ARG 162 Cb 0.03 -2.73 0.04 0.00 0.52 0.00 0.00 34.95 32.81 1b78 s ARG 162 CO 0.23 0.31 0.98 0.95 0.02 0.00 0.00 175.30 177.80 1b78 s THR 163 N -1.93 2.86 0.37 0.02 -4.23 -1.26 -4.10 115.64 107.37 1b78 s THR 163 Ca 0.42 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 1b78 s THR 163 Cb -0.11 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.85 1b78 s THR 163 CO 0.28 -0.22 1.91 -0.26 -0.54 0.00 0.00 174.62 175.80 1b78 h PHE 164 N -0.45 0.74 0.00 3.99 0.04 -0.35 -0.85 116.94 120.06 1b78 h PHE 164 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1b78 h PHE 164 Cb 1.29 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1b78 h PHE 164 CO 0.40 0.32 0.00 0.00 -0.60 0.00 0.00 178.31 178.43 1b78 n ALA 165 N -2.46 1.68 0.68 2.45 0.00 -0.72 -2.37 120.51 119.78 1b78 n ALA 165 Ca 0.14 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1b78 n ALA 165 Cb 0.38 -1.34 0.14 0.00 0.00 0.00 0.00 19.45 18.63 1b78 n ALA 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b78 n GLU 166 N -2.00 2.30 -4.65 0.00 1.02 -0.33 -1.39 120.64 115.59 1b78 n GLU 166 Ca 0.03 -2.02 -0.30 0.00 -0.02 0.00 0.00 57.16 54.84 1b78 n GLU 166 Cb 0.22 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1b78 n GLU 166 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1b78 s MET 167 N -1.72 1.81 0.80 3.49 -1.94 -1.00 -4.83 119.30 115.90 1b78 s MET 167 Ca 0.31 -1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 1b78 s MET 167 Cb 0.20 -2.05 0.07 0.00 2.01 0.00 0.00 34.83 35.06 1b78 s MET 167 CO 0.29 0.50 1.12 0.95 -0.01 0.00 0.00 175.02 177.88 1b78 s THR 168 N -0.94 2.78 0.27 2.05 -4.23 -1.26 -4.72 115.64 109.59 1b78 s THR 168 Ca 0.14 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1b78 s THR 168 Cb -0.10 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.88 1b78 s THR 168 CO 0.05 -0.33 1.93 0.74 -0.54 0.00 0.00 174.62 176.47 1b78 h THR 169 N -1.05 1.24 -0.58 3.99 2.02 -1.96 -1.89 112.91 114.70 1b78 h THR 169 Ca -0.47 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1b78 h THR 169 Cb 1.29 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1b78 h THR 169 CO 0.62 0.24 0.11 -0.33 0.37 0.00 0.00 175.52 176.53 1b78 h GLU 170 N 1.23 0.91 0.00 6.66 3.07 -2.00 -1.00 114.58 123.46 1b78 h GLU 170 Ca 0.33 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1b78 h GLU 170 Cb -0.11 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.68 1b78 h GLU 170 CO -0.07 0.83 0.00 0.93 -1.40 0.00 0.00 179.01 179.31 1b78 h GLU 171 N 0.87 0.00 -0.36 2.33 5.08 -1.72 -2.58 114.58 118.19 1b78 h GLU 171 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1b78 h GLU 171 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1b78 h GLU 171 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1b78 n LYS 172 N -2.32 3.18 -0.21 2.33 5.02 -0.44 -4.69 118.16 121.03 1b78 n LYS 172 Ca 0.02 -2.65 0.01 0.00 -2.02 0.00 0.00 58.31 53.67 1b78 n LYS 172 Cb 0.26 -1.72 0.12 0.00 -0.02 0.00 0.00 35.03 33.66 1b78 n LYS 172 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1b78 h SER 173 N 2.36 0.13 -0.09 4.39 0.02 -0.95 -2.18 113.55 117.23 1b78 h SER 173 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1b78 h SER 173 Cb 1.29 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1b78 h SER 173 CO 0.18 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1b78 n GLN 174 N -5.05 2.09 -2.67 3.45 3.00 -1.26 -4.38 117.38 112.55 1b78 n GLN 174 Ca 0.09 -1.60 -0.22 0.00 -0.01 0.00 0.00 57.00 55.27 1b78 n GLN 174 Cb 0.31 -1.47 -0.00 0.00 0.00 0.00 0.00 30.24 29.08 1b78 n GLN 174 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1b78 n ILE 175 N 0.91 1.93 -4.00 5.09 -5.35 -0.83 -5.00 119.36 112.11 1b78 n ILE 175 Ca 0.17 -4.56 -0.31 0.00 -0.27 0.00 0.00 62.75 57.77 1b78 n ILE 175 Cb 0.50 -0.73 -0.15 0.00 -1.74 0.00 0.00 39.64 37.52 1b78 n ILE 175 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1b78 s SER 176 N -3.32 4.19 0.50 7.28 0.15 -1.18 -4.94 113.70 116.37 1b78 s SER 176 Ca 0.42 -1.37 0.24 0.00 0.70 0.00 0.00 55.95 55.94 1b78 s SER 176 Cb 0.39 -1.37 1.31 0.00 -1.71 0.00 0.00 66.02 64.64 1b78 s SER 176 CO -0.11 -0.23 1.95 1.12 1.20 0.00 0.00 173.24 177.16 1b78 h HIS 177 N 7.85 0.15 -0.38 3.44 2.07 -1.88 -0.72 115.15 125.67 1b78 h HIS 177 Ca -0.17 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.21 1b78 h HIS 177 Cb 1.05 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.98 1b78 h HIS 177 CO 0.55 0.05 -0.35 0.00 -3.07 0.00 0.00 177.93 175.12 1b78 h ARG 178 N 0.12 0.89 0.03 5.12 3.08 -1.93 -2.40 114.38 119.29 1b78 h ARG 178 Ca 0.32 -0.44 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 1b78 h ARG 178 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1b78 h ARG 178 CO -0.04 1.09 -1.01 0.87 -1.07 0.00 0.00 179.97 179.81 1b78 h LYS 179 N 0.73 0.36 -0.88 0.04 1.57 -1.58 -2.01 116.57 114.80 1b78 h LYS 179 Ca 0.07 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1b78 h LYS 179 Cb 0.92 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1b78 h LYS 179 CO 0.09 1.12 0.48 0.87 -0.57 0.00 0.00 179.45 181.44 1b78 h LYS 180 N 0.18 1.23 -0.05 3.15 1.57 -1.21 0.26 116.57 121.69 1b78 h LYS 180 Ca -0.09 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1b78 h LYS 180 Cb 1.67 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 1b78 h LYS 180 CO 0.17 0.90 0.02 0.00 -0.57 0.00 0.00 179.45 179.97 1b78 h ALA 181 N 1.30 0.07 0.00 3.86 0.00 -1.29 -2.05 119.26 121.15 1b78 h ALA 181 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1b78 h ALA 181 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1b78 h ALA 181 CO -0.05 -0.34 -0.19 0.74 0.00 0.00 0.00 179.25 179.41 1b78 h PHE 182 N -0.08 0.00 -0.00 0.00 0.04 -1.04 -1.19 116.94 114.66 1b78 h PHE 182 Ca 0.02 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1b78 h PHE 182 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1b78 h PHE 182 CO -0.01 0.19 -0.57 0.93 -0.60 0.00 0.00 178.31 178.25 1b78 h GLU 183 N 0.00 0.01 -0.24 1.51 4.39 -0.19 0.59 114.58 120.66 1b78 h GLU 183 Ca -0.00 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1b78 h GLU 183 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1b78 h GLU 183 CO 0.03 0.58 -0.59 0.93 -1.16 0.00 0.00 179.01 178.80 1b78 h GLU 184 N 0.01 0.77 -0.12 2.33 4.39 -0.53 -2.93 114.58 118.49 1b78 h GLU 184 Ca -0.01 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.08 1b78 h GLU 184 Cb 1.02 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1b78 h GLU 184 CO 0.08 1.14 -0.39 0.35 -1.16 0.00 0.00 179.01 179.02 1b78 h PHE 185 N 0.58 0.30 -0.51 4.33 -0.00 -0.95 -3.00 116.94 117.69 1b78 h PHE 185 Ca 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.97 57.87 1b78 h PHE 185 Cb 1.18 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 37.04 1b78 h PHE 185 CO 0.07 0.61 0.20 -0.22 -0.00 0.00 0.00 178.31 178.97 1b78 h LYS 186 N 0.22 0.76 -0.39 1.11 3.64 -0.81 -1.76 116.57 119.33 1b78 h LYS 186 Ca 0.02 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1b78 h LYS 186 Cb 0.78 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1b78 h LYS 186 CO 0.06 0.67 0.15 0.87 -2.27 0.00 0.00 179.45 178.93 1b78 h LYS 187 N 0.68 0.55 -0.28 1.90 1.57 -1.38 0.81 116.57 120.42 1b78 h LYS 187 Ca 0.17 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1b78 h LYS 187 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1b78 h LYS 187 CO -0.01 0.47 -0.39 0.35 -0.57 0.00 0.00 179.45 179.30 1b78 h PHE 188 N 0.55 0.79 -0.04 -1.35 3.04 -1.35 -2.85 116.94 115.73 1b78 h PHE 188 Ca 0.14 -0.23 -0.23 0.00 3.98 0.00 0.00 57.97 61.63 1b78 h PHE 188 Cb 0.13 -0.17 0.02 0.00 2.56 0.00 0.00 35.95 38.49 1b78 h PHE 188 CO 0.01 0.95 -0.87 -0.07 -2.02 0.00 0.00 178.31 176.31 1b78 h LEU 189 N 0.55 0.84 -2.72 0.59 3.38 -0.50 -2.96 115.31 114.49 1b78 h LEU 189 Ca 0.05 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 1b78 h LEU 189 Cb 0.91 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1b78 h LEU 189 CO 0.08 1.43 -0.00 -0.07 0.09 0.00 0.00 178.44 179.97 1b78 h LEU 190 N 0.32 0.00 0.00 1.67 3.38 -0.83 -0.48 115.31 119.37 1b78 h LEU 190 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1b78 h LEU 190 Cb 1.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1b78 h LEU 190 CO 0.17 0.00 -1.10 0.47 0.09 0.00 0.00 178.44 178.08 1b78 n ASP 191 N -3.10 0.82 -0.85 -0.43 9.92 -1.08 -3.98 116.55 117.84 1b78 n ASP 191 Ca -0.02 0.32 0.11 0.00 -0.53 0.00 0.00 54.79 54.67 1b78 n ASP 191 Cb 0.11 0.47 0.29 0.00 -0.64 0.00 0.00 41.12 41.35 1b78 n ASP 191 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b78 n ARG 192 N -2.69 2.12 0.00 -1.24 3.00 -0.22 -5.11 116.66 112.52 1b78 n ARG 192 Ca -0.02 -1.68 0.00 0.00 -0.01 0.00 0.00 57.85 56.14 1b78 n ARG 192 Cb 0.59 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1b78 n ARG 192 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74