#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p80 n SER 28 N 0.00 0.00 -4.55 1.67 3.41 -1.26 -4.82 113.62 108.07 1p80 n SER 28 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1p80 n SER 28 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1p80 n SER 28 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1p80 s LEU 29 N 0.00 2.30 0.73 1.04 0.05 -1.26 -5.12 118.68 116.42 1p80 s LEU 29 Ca 0.00 -1.59 -0.15 0.00 0.05 0.00 0.00 54.13 52.44 1p80 s LEU 29 Cb 0.00 -0.57 0.04 0.00 -2.05 0.00 0.00 46.19 43.61 1p80 s LEU 29 CO 0.00 -0.79 1.21 0.00 -0.55 0.00 0.00 176.35 176.21 1p80 s ALA 30 N -2.97 2.11 0.43 1.48 0.00 -1.26 -4.96 121.76 116.59 1p80 s ALA 30 Ca 0.17 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1p80 s ALA 30 Cb 0.04 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1p80 s ALA 30 CO 0.09 -1.89 1.31 -1.25 0.00 0.00 0.00 175.76 174.03 1p80 s PRO 31 N -3.92 3.83 0.27 0.00 0.04 -1.26 -4.91 135.00 129.04 1p80 s PRO 31 Ca 0.74 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.94 1p80 s PRO 31 Cb -0.29 -2.66 0.57 0.00 0.04 0.00 0.00 34.50 32.17 1p80 s PRO 31 CO 0.45 -0.61 1.72 1.49 0.04 0.00 0.00 177.00 180.09 1p80 h GLU 32 N 2.44 0.45 0.00 4.56 4.57 -2.04 -2.41 114.58 122.15 1p80 h GLU 32 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1p80 h GLU 32 Cb 1.25 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1p80 h GLU 32 CO 0.62 0.29 0.00 -0.40 -1.18 0.00 0.00 179.01 178.34 1p80 n ASP 33 N -5.00 0.00 -0.30 1.04 5.68 -1.26 -4.90 116.55 111.80 1p80 n ASP 33 Ca 0.18 0.14 -0.04 0.00 -0.50 0.00 0.00 54.79 54.57 1p80 n ASP 33 Cb 0.51 -0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 1p80 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p80 n GLY 34 N 0.25 0.69 0.00 6.12 0.00 -0.91 -4.92 105.19 106.42 1p80 n GLY 34 Ca 0.08 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.36 1p80 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 35 N 1.30 0.00 0.16 1.61 3.41 -1.26 -3.00 113.62 115.84 1p80 n SER 35 Ca -0.04 -1.18 0.05 0.00 -0.26 0.00 0.00 58.87 57.44 1p80 n SER 35 Cb 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1p80 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p80 h HIS 36 N 0.00 0.00 -3.31 7.33 2.07 -1.91 -3.45 115.15 115.88 1p80 h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1p80 h HIS 36 Cb 0.00 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 29.76 1p80 h HIS 36 CO 0.00 0.38 -0.67 0.50 -3.07 0.00 0.00 177.93 175.08 1p80 s ARG 37 N -3.04 3.67 0.38 5.12 3.52 -1.16 -4.98 118.95 122.46 1p80 s ARG 37 Ca 0.04 -0.52 -0.27 0.00 -0.13 0.00 0.00 55.73 54.86 1p80 s ARG 37 Cb 0.07 -2.92 -0.09 0.00 -1.56 0.00 0.00 34.95 30.44 1p80 s ARG 37 CO 0.73 0.23 1.31 -2.14 -0.81 0.00 0.00 175.30 174.61 1p80 s PRO 38 N 0.40 4.09 0.35 5.12 0.02 -1.26 -4.98 135.00 138.74 1p80 s PRO 38 Ca -0.04 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 62.89 1p80 s PRO 38 Cb -0.14 -2.86 -0.09 0.00 0.02 0.00 0.00 34.50 31.42 1p80 s PRO 38 CO 0.03 -0.40 1.22 0.00 -0.33 0.00 0.00 177.00 177.52 1p80 s ALA 39 N -1.22 3.35 -1.35 -1.55 0.00 -1.26 -4.92 121.76 114.81 1p80 s ALA 39 Ca 0.54 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 53.53 1p80 s ALA 39 Cb -0.39 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.42 1p80 s ALA 39 CO 0.51 -0.52 2.37 0.00 0.00 0.00 0.00 175.76 178.12 1p80 n ALA 40 N 0.60 6.66 -3.28 0.00 0.00 -1.26 -4.81 120.51 118.42 1p80 n ALA 40 Ca 0.01 -4.06 -0.13 0.00 0.00 0.00 0.00 53.44 49.26 1p80 n ALA 40 Cb 0.44 -2.88 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 1p80 n ALA 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p80 s GLU 41 N -0.50 1.05 0.17 0.00 0.41 -1.23 -4.83 118.70 113.76 1p80 s GLU 41 Ca 0.54 -0.30 -0.32 0.00 -0.41 0.00 0.00 54.97 54.47 1p80 s GLU 41 Cb 0.17 0.48 -0.12 0.00 -1.78 0.00 0.00 34.13 32.88 1p80 s GLU 41 CO -0.08 -0.39 1.76 -2.30 -0.49 0.00 0.00 175.26 173.76 1p80 n PRO 42 N 0.29 2.72 -4.03 0.39 -0.02 -1.26 -5.00 135.00 128.09 1p80 n PRO 42 Ca -0.18 0.98 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1p80 n PRO 42 Cb 0.61 -2.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.13 1p80 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p80 s THR 43 N 1.75 0.32 0.73 3.45 -4.23 -1.08 -4.97 115.64 111.61 1p80 s THR 43 Ca 0.78 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1p80 s THR 43 Cb -0.52 -0.39 0.03 0.00 1.34 0.00 0.00 72.50 72.97 1p80 s THR 43 CO 0.35 -0.29 1.11 -2.16 -0.54 0.00 0.00 174.62 173.09 1p80 s PRO 44 N -1.12 2.42 0.13 3.99 0.04 -1.26 -3.24 135.00 135.96 1p80 s PRO 44 Ca -0.09 1.35 -0.35 0.00 0.04 0.00 0.00 61.00 61.95 1p80 s PRO 44 Cb -0.08 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 1p80 s PRO 44 CO -0.00 -1.54 1.45 -2.30 0.04 0.00 0.00 177.00 174.65 1p80 n PRO 45 N -2.98 1.65 -0.47 0.56 -0.02 -1.26 -1.82 135.00 130.66 1p80 n PRO 45 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1p80 n PRO 45 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1p80 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 46 N 2.92 1.65 0.10 -1.23 0.00 -1.26 -4.90 105.19 102.48 1p80 n GLY 46 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1p80 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p80 h ALA 47 N 0.00 0.70 -2.42 4.61 0.00 -1.71 -3.46 119.26 116.98 1p80 h ALA 47 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1p80 h ALA 47 Cb 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.52 1p80 h ALA 47 CO 0.00 0.98 -0.50 -0.65 0.00 0.00 0.00 179.25 179.09 1p80 s GLN 48 N -3.22 0.80 0.38 0.00 -1.52 -1.26 -5.06 119.66 109.78 1p80 s GLN 48 Ca -0.00 -1.11 -0.27 0.00 -1.95 0.00 0.00 55.36 52.02 1p80 s GLN 48 Cb 0.11 0.29 -0.10 0.00 -0.22 0.00 0.00 33.01 33.10 1p80 s GLN 48 CO 0.79 -0.23 1.34 -2.14 -0.25 0.00 0.00 175.29 174.80 1p80 s PRO 49 N -3.91 4.12 0.86 2.91 0.02 -1.26 -4.99 135.00 132.75 1p80 s PRO 49 Ca 0.09 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 63.25 1p80 s PRO 49 Cb 0.06 -2.90 0.11 0.00 0.02 0.00 0.00 34.50 31.79 1p80 s PRO 49 CO -0.08 -0.40 1.09 0.95 -0.33 0.00 0.00 177.00 178.22 1p80 s THR 50 N -1.19 2.86 0.20 0.99 -4.23 -1.26 -4.62 115.64 108.39 1p80 s THR 50 Ca 0.53 0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 61.17 1p80 s THR 50 Cb -0.40 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1p80 s THR 50 CO 0.53 -0.37 0.48 0.00 -0.54 0.00 0.00 174.62 174.72 1p80 s ALA 51 N -2.92 -0.65 0.34 3.99 0.00 -1.26 -4.97 121.76 116.29 1p80 s ALA 51 Ca 0.63 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 1p80 s ALA 51 Cb -0.18 0.89 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 1p80 s ALA 51 CO 0.57 -0.79 1.18 -2.30 0.00 0.00 0.00 175.76 174.41 1p80 n PRO 52 N -0.33 1.81 -0.25 0.00 -0.02 -1.26 -4.69 135.00 130.25 1p80 n PRO 52 Ca -0.08 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1p80 n PRO 52 Cb 0.62 -2.16 0.17 0.00 -0.02 0.00 0.00 33.50 32.11 1p80 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p80 h GLY 53 N 2.25 1.13 2.00 -1.23 0.00 -1.29 -0.71 103.07 105.22 1p80 h GLY 53 Ca -0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1p80 h GLY 53 CO 0.61 -0.03 -0.06 1.48 0.00 0.00 0.00 176.54 178.55 1p80 h SER 54 N 0.52 0.00 0.37 0.19 4.64 -1.83 -0.35 113.55 117.09 1p80 h SER 54 Ca 0.39 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.40 1p80 h SER 54 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 1p80 h SER 54 CO -0.34 0.06 -1.84 0.18 -0.87 0.00 0.00 176.83 174.02 1p80 n LEU 55 N -3.21 1.14 0.04 5.97 4.77 -0.75 -3.34 117.00 121.62 1p80 n LEU 55 Ca -0.00 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 56.15 1p80 n LEU 55 Cb 0.30 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1p80 n LEU 55 CO 0.28 0.49 0.18 0.50 -1.33 0.00 0.00 177.39 177.51 1p80 h LYS 56 N 0.01 0.57 -1.95 3.23 1.63 -0.81 -3.40 116.57 115.85 1p80 h LYS 56 Ca -0.34 -0.57 -0.54 0.00 -0.85 0.00 0.00 60.65 58.35 1p80 h LYS 56 Cb 2.04 0.15 -0.37 0.00 -0.60 0.00 0.00 32.23 33.45 1p80 h LYS 56 CO 0.07 1.19 -1.03 0.00 -3.45 0.00 0.00 179.45 176.23 1p80 n ALA 57 N -2.58 2.22 0.27 5.00 0.00 -0.17 -3.57 120.51 121.68 1p80 n ALA 57 Ca -0.08 -3.17 0.13 0.00 0.00 0.00 0.00 53.44 50.32 1p80 n ALA 57 Cb 0.82 -0.84 0.79 0.00 0.00 0.00 0.00 19.45 20.23 1p80 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p80 h PRO 58 N 4.38 0.00 -0.00 0.00 0.13 -1.73 -2.34 132.00 132.44 1p80 h PRO 58 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1p80 h PRO 58 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p80 h PRO 58 CO 0.42 0.08 -0.30 -0.25 -0.23 0.00 0.00 178.00 177.72 1p80 n ASP 59 N -3.74 0.51 -4.61 1.44 8.00 -1.26 -4.80 116.55 112.08 1p80 n ASP 59 Ca -0.02 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.75 1p80 n ASP 59 Cb 0.18 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1p80 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p80 s THR 60 N -2.82 4.54 0.16 -3.53 2.01 -0.88 -5.02 115.64 110.10 1p80 s THR 60 Ca 0.17 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.49 1p80 s THR 60 Cb 0.19 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1p80 s THR 60 CO 0.60 -0.57 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.75 1p80 s ARG 61 N 3.60 1.08 0.24 4.92 0.52 -1.26 -5.02 118.95 123.03 1p80 s ARG 61 Ca 0.40 -1.48 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 1p80 s ARG 61 Cb -0.11 -0.53 0.03 0.00 0.52 0.00 0.00 34.95 34.86 1p80 s ARG 61 CO 0.19 0.01 0.66 0.54 0.02 0.00 0.00 175.30 176.73 1p80 s ASN 62 N -3.17 -0.32 0.25 0.23 2.20 -1.26 -5.01 114.94 107.85 1p80 s ASN 62 Ca 0.19 -0.48 -0.05 0.00 -0.94 0.00 0.00 52.86 51.58 1p80 s ASN 62 Cb 0.04 0.68 0.36 0.00 -2.00 0.00 0.00 41.25 40.33 1p80 s ASN 62 CO 0.01 -1.23 1.84 -0.08 -2.94 0.00 0.00 177.10 174.71 1p80 h GLU 63 N 2.03 0.92 -0.23 3.55 4.81 -1.97 -0.12 114.58 123.57 1p80 h GLU 63 Ca -0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1p80 h GLU 63 Cb 1.26 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1p80 h GLU 63 CO 0.28 0.61 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.79 1p80 h LYS 64 N 0.95 0.52 -0.96 1.92 1.63 -1.96 -1.71 116.57 116.96 1p80 h LYS 64 Ca 0.39 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1p80 h LYS 64 Cb 0.22 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 1p80 h LYS 64 CO -0.19 0.81 0.63 -0.07 -3.45 0.00 0.00 179.45 177.18 1p80 h LEU 65 N 0.22 1.09 -0.62 5.20 3.38 -1.84 -1.94 115.31 120.80 1p80 h LEU 65 Ca 0.05 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1p80 h LEU 65 Cb 0.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1p80 h LEU 65 CO 0.04 0.78 -0.08 0.78 0.09 0.00 0.00 178.44 180.06 1p80 h ASN 66 N 1.28 1.01 0.29 -0.43 2.35 -0.94 -2.87 115.58 116.26 1p80 h ASN 66 Ca 0.36 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1p80 h ASN 66 Cb -0.12 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 37.98 1p80 h ASN 66 CO -0.09 1.10 -0.00 0.77 -1.65 0.00 0.00 177.43 177.56 1p80 h SER 67 N 0.91 0.00 0.26 5.81 4.64 -0.53 -0.22 113.55 124.43 1p80 h SER 67 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1p80 h SER 67 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1p80 h SER 67 CO 0.04 0.00 -0.03 0.18 -0.87 0.00 0.00 176.83 176.15 1p80 n LEU 68 N -3.11 0.27 0.29 5.97 4.77 -1.01 -3.96 117.00 120.22 1p80 n LEU 68 Ca -0.02 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1p80 n LEU 68 Cb 0.14 -0.13 0.86 0.00 -2.33 0.00 0.00 43.42 41.95 1p80 n LEU 68 CO 0.22 0.05 1.10 -0.08 -1.33 0.00 0.00 177.39 177.35 1p80 h GLU 69 N 0.37 0.00 0.00 3.23 4.57 -1.14 -2.33 114.58 119.28 1p80 h GLU 69 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1p80 h GLU 69 Cb 0.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1p80 h GLU 69 CO 0.00 0.02 -0.12 0.38 -1.18 0.00 0.00 179.01 178.11 1p80 h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.82 -3.07 116.42 112.57 1p80 h ASP 70 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1p80 h ASP 70 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 1p80 h ASP 70 CO 0.00 0.12 -0.24 1.33 -0.00 0.00 0.00 179.24 180.45 1p80 n VAL 71 N -4.21 0.00 -2.04 4.15 0.24 -0.91 -4.98 118.33 110.58 1p80 n VAL 71 Ca -0.03 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 1p80 n VAL 71 Cb 0.20 1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 1p80 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p80 s ARG 72 N -1.48 4.28 -0.13 7.34 0.52 -1.04 -5.00 118.95 123.44 1p80 s ARG 72 Ca 0.09 2.27 0.01 0.00 -0.52 0.00 0.00 55.73 57.59 1p80 s ARG 72 Cb 0.09 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.46 1p80 s ARG 72 CO 0.29 -0.40 -0.16 0.21 0.02 0.00 0.00 175.30 175.27 1p80 s LYS 73 N -0.40 2.32 0.00 3.54 2.20 -1.26 -5.03 119.74 121.11 1p80 s LYS 73 Ca 0.59 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1p80 s LYS 73 Cb -0.41 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1p80 s LYS 73 CO 0.43 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 1p80 n GLY 74 N 4.38 -0.66 0.00 5.54 0.00 -1.26 -5.07 105.19 108.12 1p80 n GLY 74 Ca -0.18 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1p80 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 75 N 0.00 0.00 -4.73 1.61 3.41 -1.26 -5.08 113.62 107.57 1p80 n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1p80 n SER 75 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1p80 n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1p80 s GLU 76 N -0.91 4.12 -0.18 4.33 2.02 -1.26 -2.24 118.70 124.58 1p80 s GLU 76 Ca 0.00 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.60 1p80 s GLU 76 Cb 0.00 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1p80 s GLU 76 CO 0.00 -0.72 0.00 0.09 0.02 0.00 0.00 175.26 174.65 1p80 n ASN 77 N 3.40 -4.20 -4.80 -0.19 3.02 -1.26 -5.02 115.26 106.21 1p80 n ASN 77 Ca 0.13 0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1p80 n ASN 77 Cb 0.36 -1.85 -0.06 0.00 -0.61 0.00 0.00 39.78 37.62 1p80 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p80 s TYR 78 N -1.73 3.24 0.40 3.10 2.02 -0.95 -5.10 117.35 118.33 1p80 s TYR 78 Ca 0.00 0.09 -0.24 0.00 -0.37 0.00 0.00 57.07 56.56 1p80 s TYR 78 Cb 0.00 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.84 1p80 s TYR 78 CO 0.00 0.53 1.04 0.00 -1.57 0.00 0.00 175.55 175.55 1p80 s ALA 79 N -1.46 3.08 0.03 3.71 0.00 -1.26 -5.01 121.76 120.85 1p80 s ALA 79 Ca 0.30 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1p80 s ALA 79 Cb -0.12 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1p80 s ALA 79 CO 0.23 -0.17 1.23 -1.17 0.00 0.00 0.00 175.76 175.89 1p80 s LEU 80 N -2.67 4.34 0.30 0.00 2.96 -1.26 -5.00 118.68 117.35 1p80 s LEU 80 Ca 0.58 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.52 1p80 s LEU 80 Cb -0.21 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1p80 s LEU 80 CO 0.26 -0.53 0.13 0.42 -1.32 0.00 0.00 176.35 175.31 1p80 s THR 81 N 1.47 0.46 0.98 3.68 -4.23 -1.26 -1.41 115.64 115.33 1p80 s THR 81 Ca 0.59 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 1p80 s THR 81 Cb -0.29 -2.55 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1p80 s THR 81 CO 0.27 0.00 1.21 0.42 -0.54 0.00 0.00 174.62 175.98 1p80 s THR 82 N -3.60 1.91 -0.57 3.99 -4.23 -0.13 -4.88 115.64 108.13 1p80 s THR 82 Ca 0.35 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.08 1p80 s THR 82 Cb 0.06 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1p80 s THR 82 CO 0.16 0.00 1.66 0.59 -0.54 0.00 0.00 174.62 176.49 1p80 n ASN 83 N -3.94 0.55 -0.70 3.99 3.02 -1.26 -1.86 115.26 115.06 1p80 n ASN 83 Ca 0.11 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.42 1p80 n ASN 83 Cb 0.60 -0.75 0.35 0.00 -0.61 0.00 0.00 39.78 39.36 1p80 n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p80 n GLN 84 N -2.11 1.94 -0.61 3.52 1.13 -1.26 -4.94 117.38 115.04 1p80 n GLN 84 Ca 0.02 -1.39 0.00 0.00 -1.94 0.00 0.00 57.00 53.69 1p80 n GLN 84 Cb 0.21 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1p80 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p80 n GLY 85 N 1.24 0.64 3.67 1.08 0.00 -0.78 -5.06 105.19 105.98 1p80 n GLY 85 Ca 0.17 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1p80 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 86 N -2.00 5.05 0.32 1.61 1.01 -1.26 -4.80 120.40 120.34 1p80 s VAL 86 Ca 0.00 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1p80 s VAL 86 Cb 0.00 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1p80 s VAL 86 CO 0.00 0.14 1.49 -0.13 0.00 0.00 0.00 175.10 176.61 1p80 s ARG 87 N 1.73 4.17 -0.15 2.72 0.52 -1.26 -0.96 118.95 125.72 1p80 s ARG 87 Ca 0.28 2.48 -0.10 0.00 -0.52 0.00 0.00 55.73 57.88 1p80 s ARG 87 Cb -0.16 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1p80 s ARG 87 CO 0.11 -0.51 0.18 0.42 0.02 0.00 0.00 175.30 175.52 1p80 s ILE 88 N -0.55 5.40 -0.15 1.52 1.01 -0.50 -4.90 121.20 123.03 1p80 s ILE 88 Ca 0.57 0.31 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 1p80 s ILE 88 Cb -0.45 -3.49 -0.24 0.00 0.01 0.00 0.00 42.46 38.28 1p80 s ILE 88 CO 0.53 0.50 0.25 0.00 0.00 0.00 0.00 174.94 176.22 1p80 n ALA 89 N 2.86 0.98 -3.83 9.38 0.00 -1.26 -4.82 120.51 123.82 1p80 n ALA 89 Ca -0.17 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.29 1p80 n ALA 89 Cb 0.53 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 1p80 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p80 s ASP 90 N -6.95 4.08 -0.21 0.00 3.68 -1.26 -4.97 116.67 111.04 1p80 s ASP 90 Ca -0.25 -1.62 0.09 0.00 2.13 0.00 0.00 52.55 52.90 1p80 s ASP 90 Cb 0.07 -1.07 0.60 0.00 -1.45 0.00 0.00 42.92 41.06 1p80 s ASP 90 CO 0.73 -0.37 1.50 -0.67 0.13 0.00 0.00 175.17 176.49 1p80 n ASP 91 N 4.70 4.36 -0.00 -0.34 4.64 -1.26 -4.12 116.55 124.54 1p80 n ASP 91 Ca -0.03 -2.81 0.05 0.00 -1.38 0.00 0.00 54.79 50.62 1p80 n ASP 91 Cb 0.43 -0.67 -0.06 0.00 -1.04 0.00 0.00 41.12 39.79 1p80 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p80 n GLN 92 N 0.21 3.52 -3.90 -0.67 1.13 -1.26 -5.05 117.38 111.36 1p80 n GLN 92 Ca 0.26 -0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 55.20 1p80 n GLN 92 Cb 1.06 -0.98 -0.12 0.00 0.11 0.00 0.00 30.24 30.31 1p80 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p80 s ASN 93 N -2.01 0.06 0.63 1.08 0.01 -1.26 -5.15 114.94 108.30 1p80 s ASN 93 Ca 0.03 -0.16 -0.12 0.00 -0.71 0.00 0.00 52.86 51.91 1p80 s ASN 93 Cb 0.07 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 1p80 s ASN 93 CO 0.39 -0.19 1.04 -0.44 -1.51 0.00 0.00 177.10 176.39 1p80 s SER 94 N -0.76 5.96 -0.10 -1.22 0.01 -1.26 -4.98 113.70 111.33 1p80 s SER 94 Ca -0.08 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 58.40 1p80 s SER 94 Cb -0.05 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1p80 s SER 94 CO 0.00 -1.05 1.02 -0.22 0.41 0.00 0.00 173.24 173.39 1p80 s LEU 95 N -5.15 4.25 0.07 2.44 2.96 -1.26 -5.03 118.68 116.95 1p80 s LEU 95 Ca 0.57 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1p80 s LEU 95 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1p80 s LEU 95 CO 0.51 -0.46 -0.05 0.00 -1.32 0.00 0.00 176.35 175.04 1p80 s ARG 96 N 2.03 0.70 -0.93 1.98 1.70 -1.26 -1.43 118.95 121.74 1p80 s ARG 96 Ca 0.49 -1.25 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 1p80 s ARG 96 Cb -0.19 0.02 0.11 0.00 -0.57 0.00 0.00 34.95 34.33 1p80 s ARG 96 CO 0.18 -0.07 1.18 0.00 -1.08 0.00 0.00 175.30 175.52 1p80 s ALA 97 N -3.69 3.21 0.00 7.88 0.00 -0.90 -4.70 121.76 123.55 1p80 s ALA 97 Ca 0.08 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1p80 s ALA 97 Cb 0.06 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1p80 s ALA 97 CO -0.07 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.00 1p80 n GLY 98 N 5.77 0.01 0.13 0.00 0.00 -1.26 -3.59 105.19 106.26 1p80 n GLY 98 Ca 0.24 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.75 1p80 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 99 N -0.77 0.60 -0.42 1.61 3.41 -1.26 -1.19 113.62 115.60 1p80 n SER 99 Ca 0.00 0.69 0.06 0.00 -0.26 0.00 0.00 58.87 59.36 1p80 n SER 99 Cb 0.00 -0.80 0.15 0.00 -0.26 0.00 0.00 64.21 63.30 1p80 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p80 n ARG 100 N -2.20 2.49 -2.67 4.33 1.74 -1.26 -5.06 116.66 114.03 1p80 n ARG 100 Ca 0.01 -2.29 -0.23 0.00 -0.77 0.00 0.00 57.85 54.57 1p80 n ARG 100 Cb 0.16 -1.43 0.11 0.00 -1.02 0.00 0.00 32.46 30.27 1p80 n ARG 100 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1p80 s GLY 101 N -1.76 1.74 0.48 -0.13 0.00 -0.34 -5.06 107.32 102.25 1p80 s GLY 101 Ca 0.26 -1.89 -0.21 0.00 0.00 0.00 0.00 44.72 42.88 1p80 s GLY 101 CO 0.07 -1.29 1.10 2.56 0.00 0.00 0.00 173.10 175.54 1p80 s PRO 102 N -5.11 3.72 0.32 2.90 0.04 -1.26 -4.61 135.00 131.01 1p80 s PRO 102 Ca 0.67 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 1p80 s PRO 102 Cb -0.04 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1p80 s PRO 102 CO 0.44 -0.54 1.11 0.99 0.04 0.00 0.00 177.00 179.05 1p80 s THR 103 N -1.75 3.44 0.09 1.26 2.01 -1.26 -2.12 115.64 117.31 1p80 s THR 103 Ca 0.66 1.34 -0.10 0.00 0.31 0.00 0.00 61.69 63.90 1p80 s THR 103 Cb -0.23 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1p80 s THR 103 CO 0.27 0.24 0.42 -0.76 -0.69 0.00 0.00 174.62 174.09 1p80 s LEU 104 N -1.87 4.34 0.52 4.42 1.43 -0.51 -4.96 118.68 122.06 1p80 s LEU 104 Ca 0.49 0.81 0.27 0.00 -1.03 0.00 0.00 54.13 54.67 1p80 s LEU 104 Cb -0.30 -3.04 1.44 0.00 0.03 0.00 0.00 46.19 44.32 1p80 s LEU 104 CO 0.39 0.15 2.07 0.25 0.23 0.00 0.00 176.35 179.44 1p80 h LEU 105 N 3.63 0.00 0.00 1.79 5.85 -1.95 -2.56 115.31 122.07 1p80 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p80 h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1p80 h LEU 105 CO 0.67 0.12 0.00 -1.84 -0.34 0.00 0.00 178.44 177.04 1p80 n GLU 106 N -3.64 0.66 -2.34 1.25 0.28 -1.26 -4.56 120.64 111.04 1p80 n GLU 106 Ca -0.02 0.01 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1p80 n GLU 106 Cb 0.24 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.57 1p80 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p80 s ASP 107 N -2.12 5.92 0.47 -1.84 3.68 -0.97 -4.75 116.67 117.06 1p80 s ASP 107 Ca 0.33 -1.25 0.26 0.00 2.13 0.00 0.00 52.55 54.01 1p80 s ASP 107 Cb 0.16 -2.57 0.63 0.00 -1.45 0.00 0.00 42.92 39.69 1p80 s ASP 107 CO 0.29 -2.05 1.71 2.19 0.13 0.00 0.00 175.17 177.44 1p80 h PHE 108 N 10.17 0.00 -0.03 -5.34 -0.00 -1.91 -2.27 116.94 117.57 1p80 h PHE 108 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.13 1p80 h PHE 108 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1p80 h PHE 108 CO 1.26 0.01 -0.08 0.82 -0.00 0.00 0.00 178.31 180.32 1p80 h ILE 109 N 0.00 1.44 -0.02 0.88 2.04 -1.98 -1.48 117.51 118.38 1p80 h ILE 109 Ca -0.00 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.45 1p80 h ILE 109 Cb 0.87 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1p80 h ILE 109 CO 0.00 0.39 -0.06 0.25 0.00 0.00 0.00 178.15 178.72 1p80 h LEU 110 N -0.42 -0.18 -0.91 1.44 5.85 -1.94 -1.87 115.31 117.28 1p80 h LEU 110 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1p80 h LEU 110 Cb 0.67 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1p80 h LEU 110 CO 0.02 -0.09 0.16 0.03 -0.34 0.00 0.00 178.44 178.21 1p80 h ARG 111 N -0.10 0.96 -0.33 1.25 3.08 -1.44 0.69 114.38 118.49 1p80 h ARG 111 Ca 0.03 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1p80 h ARG 111 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1p80 h ARG 111 CO -0.08 0.85 -0.02 1.49 -1.07 0.00 0.00 179.97 181.14 1p80 h GLU 112 N 0.92 0.60 -0.28 0.04 4.81 -1.15 0.96 114.58 120.48 1p80 h GLU 112 Ca 0.20 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1p80 h GLU 112 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1p80 h GLU 112 CO -0.00 0.74 0.14 -0.22 -0.73 0.00 0.00 179.01 178.93 1p80 h LYS 113 N 0.39 0.39 -0.30 1.92 3.64 -0.89 -1.40 116.57 120.33 1p80 h LYS 113 Ca 0.09 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1p80 h LYS 113 Cb 0.48 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1p80 h LYS 113 CO 0.02 0.37 -0.42 0.82 -2.27 0.00 0.00 179.45 177.97 1p80 h ILE 114 N 0.32 1.29 -0.35 2.00 1.08 -0.84 -2.57 117.51 118.43 1p80 h ILE 114 Ca 0.10 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1p80 h ILE 114 Cb 0.10 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1p80 h ILE 114 CO -0.01 0.52 0.23 0.74 -0.69 0.00 0.00 178.15 178.94 1p80 h THR 115 N 0.60 1.09 -0.60 -0.27 2.02 -0.69 0.15 112.91 115.21 1p80 h THR 115 Ca 0.04 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1p80 h THR 115 Cb 0.98 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1p80 h THR 115 CO 0.09 0.09 0.32 -0.74 0.37 0.00 0.00 175.52 175.65 1p80 h HIS 116 N 0.48 0.83 -0.43 3.16 -0.00 -1.22 -2.28 115.15 115.70 1p80 h HIS 116 Ca 0.13 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1p80 h HIS 116 Cb -0.05 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.06 1p80 h HIS 116 CO -0.05 0.61 0.22 0.35 -0.00 0.00 0.00 177.93 179.06 1p80 h PHE 117 N 0.81 0.40 -0.09 5.26 3.57 -1.05 -2.26 116.94 123.58 1p80 h PHE 117 Ca 0.21 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1p80 h PHE 117 Cb 0.06 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1p80 h PHE 117 CO -0.01 0.21 0.10 -0.44 -2.23 0.00 0.00 178.31 175.94 1p80 h ASP 118 N 0.44 0.00 -0.31 0.41 3.45 -0.33 -2.45 116.42 117.62 1p80 h ASP 118 Ca 0.18 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.51 1p80 h ASP 118 Cb 0.08 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.77 1p80 h ASP 118 CO -0.12 0.00 -0.06 1.41 -1.57 0.00 0.00 179.24 178.89 1p80 n HIS 119 N -3.93 1.00 0.08 4.55 8.25 -0.87 -4.72 115.22 119.57 1p80 n HIS 119 Ca -0.01 -1.42 -0.03 0.00 -0.26 0.00 0.00 57.72 56.00 1p80 n HIS 119 Cb 0.20 -0.44 0.21 0.00 1.12 0.00 0.00 29.99 31.08 1p80 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p80 h GLU 120 N 1.12 0.30 -6.67 -0.41 5.08 -1.23 -3.45 114.58 109.31 1p80 h GLU 120 Ca 0.16 -0.14 -0.50 0.00 -1.00 0.00 0.00 59.36 57.88 1p80 h GLU 120 Cb 1.58 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1p80 h GLU 120 CO 0.33 0.65 0.13 1.03 -1.00 0.00 0.00 179.01 180.15 1p80 s ARG 121 N -4.18 4.16 0.19 2.33 1.81 -1.26 -5.09 118.95 116.92 1p80 s ARG 121 Ca -0.05 0.82 0.08 0.00 -1.72 0.00 0.00 55.73 54.86 1p80 s ARG 121 Cb 0.13 -2.66 -0.05 0.00 -0.45 0.00 0.00 34.95 31.93 1p80 s ARG 121 CO 0.78 0.27 -0.15 0.96 -0.68 0.00 0.00 175.30 176.48 1p80 s ILE 122 N -1.75 1.71 0.35 1.52 -4.36 -1.26 -5.12 121.20 112.29 1p80 s ILE 122 Ca 0.49 -2.12 -0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1p80 s ILE 122 Cb -0.14 -1.97 -0.12 0.00 1.25 0.00 0.00 42.46 41.49 1p80 s ILE 122 CO 0.19 -0.54 1.46 -2.65 0.24 0.00 0.00 174.94 173.64 1p80 n PRO 123 N -0.20 2.52 -1.73 0.37 -0.02 -1.26 -4.98 135.00 129.70 1p80 n PRO 123 Ca -0.09 0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 1p80 n PRO 123 Cb 0.60 -2.59 0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1p80 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p80 s GLU 124 N -1.70 2.56 0.45 -0.52 -1.05 -1.26 -4.91 118.70 112.27 1p80 s GLU 124 Ca 0.56 0.57 -0.25 0.00 -0.15 0.00 0.00 54.97 55.70 1p80 s GLU 124 Cb -0.51 -1.98 -0.09 0.00 -0.44 0.00 0.00 34.13 31.12 1p80 s GLU 124 CO 0.60 -1.27 1.42 0.54 0.95 0.00 0.00 175.26 177.51 1p80 n ARG 125 N -3.18 2.23 -0.21 -4.83 1.74 -1.26 -4.89 116.66 106.26 1p80 n ARG 125 Ca 0.07 0.79 0.02 0.00 -0.77 0.00 0.00 57.85 57.97 1p80 n ARG 125 Cb 0.57 -2.61 0.27 0.00 -1.02 0.00 0.00 32.46 29.67 1p80 n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p80 h ILE 126 N 2.28 1.14 -3.81 0.55 6.09 -1.98 -3.36 117.51 118.42 1p80 h ILE 126 Ca -0.51 -0.32 -0.25 0.00 -1.37 0.00 0.00 64.86 62.41 1p80 h ILE 126 Cb 1.27 0.11 -0.16 0.00 0.47 0.00 0.00 36.82 38.51 1p80 h ILE 126 CO 0.61 0.17 -0.71 0.68 -3.07 0.00 0.00 178.15 175.83 1p80 s VAL 127 N -5.81 0.72 -1.54 2.19 -7.23 -1.26 -4.82 120.40 102.65 1p80 s VAL 127 Ca -0.11 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1p80 s VAL 127 Cb 0.18 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1p80 s VAL 127 CO 0.78 -0.76 0.13 1.41 -0.31 0.00 0.00 175.10 176.35 1p80 n HIS 128 N 0.25 -1.08 0.24 2.82 8.25 -0.57 -4.90 115.22 120.23 1p80 n HIS 128 Ca -0.14 0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1p80 n HIS 128 Cb 0.59 -3.75 0.58 0.00 1.12 0.00 0.00 29.99 28.54 1p80 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p80 h ALA 129 N 0.88 1.46 -2.37 -1.41 0.00 -1.71 -3.40 119.26 112.71 1p80 h ALA 129 Ca -0.45 -0.16 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 1p80 h ALA 129 Cb 1.33 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1p80 h ALA 129 CO 0.52 0.23 0.01 0.50 0.00 0.00 0.00 179.25 180.50 1p80 s ARG 130 N -4.37 3.55 0.14 0.00 6.06 -1.25 -4.07 118.95 119.01 1p80 s ARG 130 Ca -0.03 -0.19 -0.20 0.00 -2.50 0.00 0.00 55.73 52.81 1p80 s ARG 130 Cb 0.14 -3.84 0.05 0.00 0.06 0.00 0.00 34.95 31.37 1p80 s ARG 130 CO 0.65 -0.73 0.51 0.20 -2.50 0.00 0.00 175.30 173.42 1p80 s GLY 131 N 1.81 -0.46 -0.02 8.12 0.00 -1.26 -1.85 107.32 113.66 1p80 s GLY 131 Ca 0.20 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.19 1p80 s GLY 131 CO 0.15 -0.05 -0.07 -0.56 0.00 0.00 0.00 173.10 172.56 1p80 s SER 132 N -2.75 0.96 0.15 1.64 0.01 0.86 -4.95 113.70 109.62 1p80 s SER 132 Ca 0.02 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1p80 s SER 132 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1p80 s SER 132 CO -0.12 0.06 -0.04 0.00 0.41 0.00 0.00 173.24 173.55 1p80 s ALA 133 N 0.12 1.29 0.15 1.44 0.00 -1.26 -0.62 121.76 122.89 1p80 s ALA 133 Ca -0.01 -1.51 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 1p80 s ALA 133 Cb -0.07 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.42 1p80 s ALA 133 CO -0.00 -0.24 0.48 0.00 0.00 0.00 0.00 175.76 175.99 1p80 s ALA 134 N -3.57 -1.08 0.27 0.00 0.00 -0.37 -4.52 121.76 112.49 1p80 s ALA 134 Ca 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1p80 s ALA 134 Cb 0.05 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1p80 s ALA 134 CO 0.01 -0.72 0.50 -1.01 0.00 0.00 0.00 175.76 174.54 1p80 s HIS 135 N -3.81 3.48 0.00 0.00 3.76 0.26 -1.22 115.29 117.76 1p80 s HIS 135 Ca 0.04 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1p80 s HIS 135 Cb 0.00 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1p80 s HIS 135 CO -0.10 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 1p80 n GLY 136 N -0.96 1.72 3.22 -2.22 0.00 -0.62 -1.42 105.19 104.91 1p80 n GLY 136 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1p80 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p80 s TYR 137 N -2.31 0.03 0.10 1.61 -0.85 -0.33 -0.74 117.35 114.85 1p80 s TYR 137 Ca 0.00 -0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1p80 s TYR 137 Cb 0.00 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 1p80 s TYR 137 CO 0.00 -0.52 -0.14 0.12 -1.52 0.00 0.00 175.55 173.49 1p80 s PHE 138 N -3.22 1.29 -0.21 -3.49 5.36 0.59 -1.20 117.98 117.10 1p80 s PHE 138 Ca -0.00 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.23 1p80 s PHE 138 Cb 0.02 -0.70 0.06 0.00 -0.34 0.00 0.00 43.02 42.06 1p80 s PHE 138 CO -0.08 0.09 0.59 1.14 -1.46 0.00 0.00 175.22 175.50 1p80 s GLN 139 N -2.31 0.70 0.55 10.12 -2.07 -0.83 -0.79 119.66 125.03 1p80 s GLN 139 Ca 0.04 0.77 -0.18 0.00 -1.82 0.00 0.00 55.36 54.18 1p80 s GLN 139 Cb -0.07 0.34 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1p80 s GLN 139 CO 0.02 -0.09 1.05 -1.25 -1.32 0.00 0.00 175.29 173.70 1p80 s PRO 140 N 0.21 3.51 0.12 9.60 0.04 -1.26 -1.34 135.00 145.87 1p80 s PRO 140 Ca -0.01 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 1p80 s PRO 140 Cb -0.04 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1p80 s PRO 140 CO 0.01 -0.66 1.28 1.88 0.04 0.00 0.00 177.00 179.55 1p80 h TYR 141 N 0.90 0.61 -3.61 0.56 0.99 -1.29 -3.38 116.97 111.75 1p80 h TYR 141 Ca -0.48 -0.35 -0.06 0.00 2.00 0.00 0.00 58.73 59.84 1p80 h TYR 141 Cb 1.22 -0.06 -0.11 0.00 1.00 0.00 0.00 36.73 38.78 1p80 h TYR 141 CO 0.58 1.18 -0.14 -1.59 -0.00 0.00 0.00 178.16 178.18 1p80 s LYS 142 N -3.18 1.33 0.29 4.88 -2.85 -1.26 -4.75 119.74 114.18 1p80 s LYS 142 Ca -0.06 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 1p80 s LYS 142 Cb 0.08 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.20 1p80 s LYS 142 CO 0.87 -0.53 1.43 0.45 0.10 0.00 0.00 175.35 177.67 1p80 s SER 143 N -2.94 6.61 -0.26 0.03 0.15 -1.26 -4.68 113.70 111.34 1p80 s SER 143 Ca 0.15 2.75 0.12 0.00 0.70 0.00 0.00 55.95 59.67 1p80 s SER 143 Cb 0.01 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.23 1p80 s SER 143 CO 0.01 -0.71 1.50 0.18 1.20 0.00 0.00 173.24 175.42 1p80 n LEU 144 N 1.78 4.33 0.33 3.45 4.77 -0.38 -4.74 117.00 126.54 1p80 n LEU 144 Ca 0.05 -3.42 0.21 0.00 -0.03 0.00 0.00 56.01 52.82 1p80 n LEU 144 Cb 0.40 -0.62 1.13 0.00 -2.33 0.00 0.00 43.42 42.01 1p80 n LEU 144 CO 0.61 0.97 1.17 0.77 -1.33 0.00 0.00 177.39 179.58 1p80 h SER 145 N 1.43 0.00 0.78 -1.43 4.64 -1.78 0.39 113.55 117.59 1p80 h SER 145 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1p80 h SER 145 Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1p80 h SER 145 CO 0.39 0.00 -0.25 0.44 -0.87 0.00 0.00 176.83 176.54 1p80 h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.31 116.42 119.55 1p80 h ASP 146 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1p80 h ASP 146 Cb 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1p80 h ASP 146 CO -0.00 0.25 -1.31 2.30 -1.57 0.00 0.00 179.24 178.91 1p80 n ILE 147 N -3.50 0.03 -3.74 0.35 -5.35 -0.10 -4.86 119.36 102.18 1p80 n ILE 147 Ca -0.00 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 1p80 n ILE 147 Cb 0.42 0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 1p80 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p80 s THR 148 N -2.44 0.02 -2.06 7.28 -1.32 -0.06 -3.34 115.64 113.72 1p80 s THR 148 Ca -0.02 -0.19 0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1p80 s THR 148 Cb 0.04 -0.57 0.40 0.00 -1.51 0.00 0.00 72.50 70.86 1p80 s THR 148 CO 0.28 -0.11 1.36 2.29 -2.21 0.00 0.00 174.62 176.23 1p80 n LYS 149 N 2.16 2.00 -1.70 7.08 2.85 -0.48 -3.63 118.16 126.44 1p80 n LYS 149 Ca -0.17 -1.55 -0.43 0.00 -1.05 0.00 0.00 58.31 55.12 1p80 n LYS 149 Cb 0.57 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.56 1p80 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p80 n ALA 150 N 0.76 2.26 -0.17 0.58 0.00 -1.22 -4.69 120.51 118.03 1p80 n ALA 150 Ca 0.15 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.95 1p80 n ALA 150 Cb 0.37 -2.53 0.24 0.00 0.00 0.00 0.00 19.45 17.54 1p80 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p80 h ASP 151 N 7.49 0.80 0.56 0.00 3.58 -1.92 -2.71 116.42 124.21 1p80 h ASP 151 Ca -0.45 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1p80 h ASP 151 Cb 1.22 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1p80 h ASP 151 CO 0.94 0.65 0.00 2.22 -2.88 0.00 0.00 179.24 180.17 1p80 n PHE 152 N -4.38 0.05 -0.24 0.28 1.16 -1.26 -1.88 117.46 111.18 1p80 n PHE 152 Ca 0.06 0.02 0.05 0.00 -1.87 0.00 0.00 57.45 55.71 1p80 n PHE 152 Cb 0.10 -0.53 0.15 0.00 -1.61 0.00 0.00 39.48 37.59 1p80 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p80 n LEU 153 N -1.54 2.91 0.08 5.98 4.77 -1.03 -4.57 117.00 123.60 1p80 n LEU 153 Ca 0.04 -2.11 0.12 0.00 -0.03 0.00 0.00 56.01 54.02 1p80 n LEU 153 Cb 0.19 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1p80 n LEU 153 CO 0.15 0.70 0.12 0.77 -1.33 0.00 0.00 177.39 177.80 1p80 h SER 154 N 1.75 0.00 -3.11 -1.43 4.64 -1.34 -1.01 113.55 113.05 1p80 h SER 154 Ca 0.00 -0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 60.99 1p80 h SER 154 Cb 0.78 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.55 1p80 h SER 154 CO 0.02 0.05 -0.53 -0.62 -0.87 0.00 0.00 176.83 174.89 1p80 s ASP 155 N -4.85 0.13 0.64 4.97 3.68 -1.26 -4.48 116.67 115.49 1p80 s ASP 155 Ca 0.02 0.52 0.37 0.00 2.13 0.00 0.00 52.55 55.59 1p80 s ASP 155 Cb 0.11 0.51 2.10 0.00 -1.45 0.00 0.00 42.92 44.19 1p80 s ASP 155 CO 0.77 -0.21 2.27 1.55 0.13 0.00 0.00 175.17 179.69 1p80 h PRO 156 N 7.81 0.00 -0.40 4.34 0.13 -1.84 -1.93 132.00 140.11 1p80 h PRO 156 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1p80 h PRO 156 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1p80 h PRO 156 CO 0.25 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.11 1p80 n ASN 157 N -3.39 3.90 -4.37 1.44 3.02 -1.26 -4.55 115.26 110.05 1p80 n ASN 157 Ca -0.02 -2.54 -0.38 0.00 -0.03 0.00 0.00 54.58 51.60 1p80 n ASN 157 Cb 0.13 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 1p80 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p80 s LYS 158 N -1.99 3.06 0.08 3.52 2.20 -0.73 -5.08 119.74 120.80 1p80 s LYS 158 Ca 0.39 -0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 54.97 1p80 s LYS 158 Cb 0.27 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.02 1p80 s LYS 158 CO 0.16 -0.51 0.47 0.42 -0.36 0.00 0.00 175.35 175.53 1p80 s ILE 159 N 1.53 4.96 -0.16 5.43 1.01 -1.26 -4.59 121.20 128.11 1p80 s ILE 159 Ca 0.03 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.46 1p80 s ILE 159 Cb -0.18 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1p80 s ILE 159 CO 0.04 0.39 -0.19 -0.89 0.00 0.00 0.00 174.94 174.29 1p80 s THR 160 N -1.30 1.90 0.42 2.92 2.01 0.03 -4.96 115.64 116.67 1p80 s THR 160 Ca 0.31 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 1p80 s THR 160 Cb -0.16 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.54 1p80 s THR 160 CO 0.17 0.52 1.41 -2.84 -0.69 0.00 0.00 174.62 173.19 1p80 s PRO 161 N 1.24 3.84 0.21 4.92 0.02 -1.26 -0.30 135.00 143.66 1p80 s PRO 161 Ca 0.02 2.40 0.06 0.00 0.02 0.00 0.00 61.00 63.50 1p80 s PRO 161 Cb -0.14 -2.75 -0.05 0.00 0.02 0.00 0.00 34.50 31.59 1p80 s PRO 161 CO -0.10 -0.68 -0.10 0.14 -0.33 0.00 0.00 177.00 175.93 1p80 s VAL 162 N -1.19 1.50 -0.06 3.83 -7.23 0.08 -1.34 120.40 115.99 1p80 s VAL 162 Ca 0.58 -2.14 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1p80 s VAL 162 Cb -0.43 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1p80 s VAL 162 CO 0.56 -0.54 -0.03 0.12 -0.31 0.00 0.00 175.10 174.90 1p80 s PHE 163 N -3.12 0.83 -0.03 2.82 5.36 -0.61 -1.59 117.98 121.64 1p80 s PHE 163 Ca 0.23 -0.27 0.06 0.00 -0.96 0.00 0.00 56.93 56.00 1p80 s PHE 163 Cb 0.02 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.88 1p80 s PHE 163 CO 0.07 -0.29 -0.22 0.08 -1.46 0.00 0.00 175.22 173.40 1p80 s VAL 164 N 1.41 2.36 -0.08 3.12 1.01 -0.36 -0.97 120.40 126.88 1p80 s VAL 164 Ca -0.03 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1p80 s VAL 164 Cb -0.13 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1p80 s VAL 164 CO -0.03 0.58 -0.14 -0.60 0.00 0.00 0.00 175.10 174.92 1p80 s ARG 165 N -0.58 1.95 0.06 2.72 3.52 -0.17 -1.24 118.95 125.21 1p80 s ARG 165 Ca 0.09 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1p80 s ARG 165 Cb -0.11 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 1p80 s ARG 165 CO 0.00 -0.00 0.13 -0.06 -0.81 0.00 0.00 175.30 174.55 1p80 s PHE 166 N 0.80 3.33 0.33 5.12 0.40 0.21 -1.35 117.98 126.82 1p80 s PHE 166 Ca -0.11 0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.23 1p80 s PHE 166 Cb -0.16 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.71 1p80 s PHE 166 CO 0.02 0.55 0.67 -1.54 0.70 0.00 0.00 175.22 175.62 1p80 s SER 167 N -2.35 0.09 0.57 1.36 1.04 -0.64 -0.10 113.70 113.67 1p80 s SER 167 Ca 0.31 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1p80 s SER 167 Cb -0.12 0.75 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1p80 s SER 167 CO 0.23 -1.46 0.61 0.42 0.98 0.00 0.00 173.24 174.03 1p80 s THR 168 N -3.08 1.86 -0.24 2.02 -4.23 -0.77 -0.43 115.64 110.77 1p80 s THR 168 Ca 0.18 -1.24 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 1p80 s THR 168 Cb -0.04 -2.10 -0.10 0.00 1.34 0.00 0.00 72.50 71.60 1p80 s THR 168 CO 0.12 0.00 -0.35 0.52 -0.54 0.00 0.00 174.62 174.37 1p80 n VAL 169 N -2.03 1.49 -0.00 2.29 0.31 -1.22 -3.71 118.33 115.46 1p80 n VAL 169 Ca 0.07 -0.20 -0.19 0.00 -0.01 0.00 0.00 64.34 64.01 1p80 n VAL 169 Cb 0.63 -2.02 -0.14 0.00 -0.91 0.00 0.00 33.84 31.40 1p80 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p80 h GLN 170 N -0.98 0.19 -7.29 5.55 4.15 -1.90 -1.51 115.11 113.32 1p80 h GLN 170 Ca -0.46 -0.32 -0.52 0.00 0.77 0.00 0.00 58.65 58.12 1p80 h GLN 170 Cb 1.39 0.12 0.15 0.00 0.21 0.00 0.00 27.48 29.36 1p80 h GLN 170 CO -0.28 1.15 0.29 0.20 -1.93 0.00 0.00 178.83 178.26 1p80 s GLY 171 N -4.56 1.71 1.09 2.39 0.00 -1.25 -4.88 107.32 101.81 1p80 s GLY 171 Ca -0.18 0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.77 1p80 s GLY 171 CO 0.76 0.78 1.23 -0.32 0.00 0.00 0.00 173.10 175.55 1p80 s GLY 172 N -3.09 1.70 0.57 0.20 0.00 -1.26 -3.85 107.32 101.60 1p80 s GLY 172 Ca 0.64 -1.13 0.31 0.00 0.00 0.00 0.00 44.72 44.54 1p80 s GLY 172 CO 0.56 -0.29 2.18 0.00 0.00 0.00 0.00 173.10 175.55 1p80 h ALA 173 N -2.12 1.31 -0.58 3.20 0.00 -1.95 -1.55 119.26 117.57 1p80 h ALA 173 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p80 h ALA 173 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p80 h ALA 173 CO 0.34 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1p80 n GLY 174 N -0.93 2.98 3.96 0.00 0.00 -1.26 -4.70 105.19 105.23 1p80 n GLY 174 Ca -0.02 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1p80 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p80 s SER 175 N -0.93 3.45 0.35 1.61 1.04 -0.58 -5.07 113.70 113.57 1p80 s SER 175 Ca 0.52 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.79 1p80 s SER 175 Cb 0.37 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 1p80 s SER 175 CO 0.19 -2.49 0.73 0.00 0.98 0.00 0.00 173.24 172.65 1p80 s ALA 176 N -3.64 3.37 -0.04 5.32 0.00 -1.26 -4.93 121.76 120.58 1p80 s ALA 176 Ca 0.72 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 1p80 s ALA 176 Cb -0.04 -2.69 -0.23 0.00 0.00 0.00 0.00 23.12 20.16 1p80 s ALA 176 CO 0.50 0.19 1.05 -0.44 0.00 0.00 0.00 175.76 177.06 1p80 h ASP 177 N 1.81 0.30 -0.66 0.00 3.45 -0.95 -3.36 116.42 117.00 1p80 h ASP 177 Ca -0.47 -0.77 -0.40 0.00 0.43 0.00 0.00 57.03 55.82 1p80 h ASP 177 Cb 1.18 -0.09 -0.16 0.00 -0.56 0.00 0.00 39.33 39.70 1p80 h ASP 177 CO 0.65 1.03 0.46 0.35 -1.57 0.00 0.00 179.24 180.16 1p80 n THR 178 N -4.44 2.98 -1.57 0.35 -2.24 -1.26 -4.93 114.28 103.18 1p80 n THR 178 Ca -0.10 -2.08 -0.29 0.00 -2.27 0.00 0.00 64.05 59.32 1p80 n THR 178 Cb 0.54 -1.38 0.12 0.00 -2.10 0.00 0.00 70.33 67.52 1p80 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 179 N -2.54 2.19 -0.44 2.28 -7.23 -1.26 -4.39 120.40 109.01 1p80 s VAL 179 Ca 0.40 0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.42 1p80 s VAL 179 Cb 0.30 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1p80 s VAL 179 CO -0.05 -0.08 0.69 -0.60 -0.31 0.00 0.00 175.10 174.75 1p80 s ARG 180 N -5.28 3.33 0.11 4.82 3.52 -1.26 -4.59 118.95 119.60 1p80 s ARG 180 Ca 0.63 -0.27 -0.25 0.00 -0.13 0.00 0.00 55.73 55.71 1p80 s ARG 180 Cb -0.14 -3.94 0.08 0.00 -1.56 0.00 0.00 34.95 29.38 1p80 s ARG 180 CO 0.53 -1.04 0.72 -0.65 -0.81 0.00 0.00 175.30 174.05 1p80 s GLN 181 N 2.97 1.14 0.57 5.12 -1.52 -0.80 -4.47 119.66 122.66 1p80 s GLN 181 Ca 0.25 -0.44 -0.20 0.00 -1.95 0.00 0.00 55.36 53.01 1p80 s GLN 181 Cb -0.13 0.51 -0.04 0.00 -0.22 0.00 0.00 33.01 33.12 1p80 s GLN 181 CO 0.20 -0.50 1.25 0.42 -0.25 0.00 0.00 175.29 176.41 1p80 s ILE 182 N -3.52 2.49 -0.01 1.08 -1.09 -1.26 -4.54 121.20 114.35 1p80 s ILE 182 Ca 0.03 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 1p80 s ILE 182 Cb -0.01 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1p80 s ILE 182 CO -0.10 -0.04 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.33 1p80 s ARG 183 N -3.12 2.48 0.31 2.79 1.81 -1.26 -3.42 118.95 118.54 1p80 s ARG 183 Ca 0.74 -0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 53.93 1p80 s ARG 183 Cb -0.34 -2.43 -0.07 0.00 -0.45 0.00 0.00 34.95 31.67 1p80 s ARG 183 CO 0.38 0.61 0.64 0.20 -0.68 0.00 0.00 175.30 176.44 1p80 s GLY 184 N -1.15 2.06 -0.35 -3.53 0.00 0.43 -0.50 107.32 104.29 1p80 s GLY 184 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.58 1p80 s GLY 184 CO 0.04 -0.15 0.32 -0.12 0.00 0.00 0.00 173.10 173.19 1p80 s PHE 185 N -2.08 -0.12 -0.15 1.90 2.19 0.71 -1.62 117.98 118.82 1p80 s PHE 185 Ca 0.48 -0.83 -0.03 0.00 0.33 0.00 0.00 56.93 56.88 1p80 s PHE 185 Cb -0.11 -0.54 -0.03 0.00 -1.31 0.00 0.00 43.02 41.04 1p80 s PHE 185 CO 0.26 -0.93 -0.05 0.00 1.83 0.00 0.00 175.22 176.34 1p80 s ALA 186 N 1.60 2.97 -0.10 11.12 0.00 -0.45 -1.50 121.76 135.38 1p80 s ALA 186 Ca 0.15 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1p80 s ALA 186 Cb -0.16 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1p80 s ALA 186 CO -0.11 0.24 -0.16 0.99 0.00 0.00 0.00 175.76 176.72 1p80 s THR 187 N 0.29 1.55 -0.32 0.00 2.01 -0.14 -1.00 115.64 118.04 1p80 s THR 187 Ca -0.04 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1p80 s THR 187 Cb -0.14 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1p80 s THR 187 CO 0.03 0.45 0.17 -0.75 -0.69 0.00 0.00 174.62 173.83 1p80 s LYS 188 N 0.88 3.34 -0.25 4.92 2.20 -0.14 -0.65 119.74 130.03 1p80 s LYS 188 Ca -0.09 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 1p80 s LYS 188 Cb -0.15 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1p80 s LYS 188 CO 0.00 -0.43 0.24 -0.06 -0.36 0.00 0.00 175.35 174.74 1p80 s PHE 189 N 1.63 3.29 -1.14 4.03 0.40 0.54 -1.57 117.98 125.16 1p80 s PHE 189 Ca 0.05 0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 56.53 1p80 s PHE 189 Cb -0.17 -2.39 0.18 0.00 0.51 0.00 0.00 43.02 41.15 1p80 s PHE 189 CO 0.07 -0.06 1.32 0.71 0.70 0.00 0.00 175.22 177.95 1p80 s TYR 190 N 1.47 3.56 0.68 0.36 2.02 -0.45 -1.97 117.35 123.03 1p80 s TYR 190 Ca 0.10 -2.10 -0.08 0.00 -0.37 0.00 0.00 57.07 54.63 1p80 s TYR 190 Cb -0.15 -4.22 0.04 0.00 -0.40 0.00 0.00 41.96 37.23 1p80 s TYR 190 CO 0.08 -1.33 1.01 0.95 -1.57 0.00 0.00 175.55 174.69 1p80 s THR 191 N 1.29 2.91 -0.69 -0.71 -4.23 -0.98 -4.38 115.64 108.85 1p80 s THR 191 Ca 0.39 -0.01 0.22 0.00 -1.18 0.00 0.00 61.69 61.11 1p80 s THR 191 Cb -0.04 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.78 1p80 s THR 191 CO -0.03 -0.27 1.67 -0.62 -0.54 0.00 0.00 174.62 174.83 1p80 n GLU 192 N -2.88 0.14 -0.13 3.99 1.02 -1.26 -2.77 120.64 118.75 1p80 n GLU 192 Ca 0.07 0.32 0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1p80 n GLU 192 Cb 0.59 -1.74 0.16 0.00 -0.02 0.00 0.00 31.44 30.43 1p80 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p80 n GLU 193 N -1.99 1.56 0.00 3.49 1.02 -1.26 -4.85 120.64 118.60 1p80 n GLU 193 Ca 0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 1p80 n GLU 193 Cb 0.25 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1p80 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p80 n GLY 194 N -1.28 3.27 3.71 0.62 0.00 -1.11 -4.75 105.19 105.65 1p80 n GLY 194 Ca 0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1p80 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 195 N -2.58 4.30 -0.20 -0.61 1.01 -1.26 -2.33 121.20 119.53 1p80 s ILE 195 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1p80 s ILE 195 Cb 0.00 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 1p80 s ILE 195 CO 0.00 0.14 -0.10 0.12 0.00 0.00 0.00 174.94 175.10 1p80 s PHE 196 N 0.97 2.89 -0.22 3.97 5.36 -0.83 -4.30 117.98 125.82 1p80 s PHE 196 Ca 0.56 -1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 55.34 1p80 s PHE 196 Cb -0.27 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 1p80 s PHE 196 CO 0.29 -0.60 0.01 -0.51 -1.46 0.00 0.00 175.22 172.95 1p80 s ASP 197 N 1.32 4.81 -0.57 6.13 -0.00 -0.52 -0.34 116.67 127.52 1p80 s ASP 197 Ca 0.04 -0.24 -0.11 0.00 -0.00 0.00 0.00 52.55 52.24 1p80 s ASP 197 Cb -0.14 -1.84 0.14 0.00 -0.00 0.00 0.00 42.92 41.09 1p80 s ASP 197 CO -0.05 0.01 0.47 -0.22 -0.00 0.00 0.00 175.17 175.38 1p80 s LEU 198 N 1.30 5.96 -0.77 1.23 0.20 0.18 -4.46 118.68 122.32 1p80 s LEU 198 Ca 0.04 -2.12 -0.12 0.00 0.69 0.00 0.00 54.13 52.62 1p80 s LEU 198 Cb -0.15 -2.08 0.20 0.00 -0.43 0.00 0.00 46.19 43.74 1p80 s LEU 198 CO 0.01 -0.68 0.69 -0.69 -0.29 0.00 0.00 176.35 175.39 1p80 s VAL 199 N 1.06 5.27 0.30 1.68 1.01 -1.26 -0.96 120.40 127.50 1p80 s VAL 199 Ca 0.08 -2.48 0.01 0.00 0.00 0.00 0.00 61.98 59.60 1p80 s VAL 199 Cb -0.24 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1p80 s VAL 199 CO -0.02 -0.99 0.09 0.61 0.00 0.00 0.00 175.10 174.79 1p80 n GLY 200 N 3.99 3.46 2.98 4.51 0.00 -0.57 -4.91 105.19 114.65 1p80 n GLY 200 Ca 0.11 -2.28 -0.23 0.00 0.00 0.00 0.00 46.02 43.61 1p80 n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p80 n ASN 201 N -1.46 1.62 -1.28 1.61 3.02 -0.75 -0.21 115.26 117.81 1p80 n ASN 201 Ca -0.08 -2.91 0.08 0.00 -0.03 0.00 0.00 54.58 51.64 1p80 n ASN 201 Cb 0.36 0.78 0.28 0.00 -0.61 0.00 0.00 39.78 40.59 1p80 n ASN 201 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1p80 n ASN 202 N -1.52 3.74 -4.04 6.41 6.94 0.35 -0.46 115.26 126.67 1p80 n ASN 202 Ca -0.08 -2.28 -0.13 0.00 -0.02 0.00 0.00 54.58 52.07 1p80 n ASN 202 Cb 0.54 -0.49 -0.12 0.00 -2.36 0.00 0.00 39.78 37.36 1p80 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p80 s THR 203 N -1.67 0.47 -1.81 5.53 -4.23 -1.26 -4.58 115.64 108.09 1p80 s THR 203 Ca 0.40 -0.99 0.27 0.00 -1.18 0.00 0.00 61.69 60.19 1p80 s THR 203 Cb 0.25 -0.54 0.68 0.00 1.34 0.00 0.00 72.50 74.23 1p80 s THR 203 CO 0.21 -0.36 1.96 -0.81 -0.54 0.00 0.00 174.62 175.08 1p80 n PRO 204 N 1.59 0.70 -4.22 3.99 -0.04 -1.26 -4.58 135.00 131.18 1p80 n PRO 204 Ca -0.22 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 1p80 n PRO 204 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1p80 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p80 s ILE 205 N -2.19 0.43 0.46 0.52 -0.00 -1.26 -4.52 121.20 114.64 1p80 s ILE 205 Ca 0.36 -1.96 0.07 0.00 -0.00 0.00 0.00 60.65 59.12 1p80 s ILE 205 Cb 0.19 -2.18 -0.00 0.00 -0.00 0.00 0.00 42.46 40.46 1p80 s ILE 205 CO 0.35 -0.39 0.36 0.12 -0.00 0.00 0.00 174.94 175.38 1p80 s PHE 206 N -3.83 2.31 0.20 1.37 2.19 0.28 -4.89 117.98 115.60 1p80 s PHE 206 Ca 0.26 -0.63 0.10 0.00 0.33 0.00 0.00 56.93 56.99 1p80 s PHE 206 Cb 0.07 -2.05 0.16 0.00 -1.31 0.00 0.00 43.02 39.88 1p80 s PHE 206 CO 0.05 -0.21 1.49 0.74 1.83 0.00 0.00 175.22 179.12 1p80 h PHE 207 N 0.99 0.00 -2.91 10.12 -1.00 -1.89 -3.39 116.94 118.86 1p80 h PHE 207 Ca -0.40 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 59.94 1p80 h PHE 207 Cb 1.28 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.69 1p80 h PHE 207 CO 0.68 0.74 -0.67 0.96 -1.61 0.00 0.00 178.31 178.41 1p80 s ILE 208 N -3.27 1.42 -0.20 -0.55 -4.36 -1.26 -2.79 121.20 110.18 1p80 s ILE 208 Ca -0.00 -2.09 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 1p80 s ILE 208 Cb 0.11 -2.38 -0.21 0.00 1.25 0.00 0.00 42.46 41.23 1p80 s ILE 208 CO 0.78 -0.33 0.02 0.00 0.24 0.00 0.00 174.94 175.65 1p80 n GLN 209 N -0.51 0.68 -5.21 0.37 6.02 -1.26 -4.58 117.38 112.89 1p80 n GLN 209 Ca -0.06 0.13 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1p80 n GLN 209 Cb 0.63 -1.57 -0.16 0.00 1.02 0.00 0.00 30.24 30.16 1p80 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p80 s ASP 210 N -6.23 2.95 0.60 1.08 -1.08 -1.26 -2.63 116.67 110.09 1p80 s ASP 210 Ca -0.23 -0.49 0.30 0.00 -0.52 0.00 0.00 52.55 51.61 1p80 s ASP 210 Cb 0.08 -0.82 1.72 0.00 -1.46 0.00 0.00 42.92 42.44 1p80 s ASP 210 CO 0.71 0.23 2.11 0.00 0.52 0.00 0.00 175.17 178.74 1p80 h ALA 211 N 6.11 1.70 -0.23 3.66 0.00 -1.72 -1.51 119.26 127.27 1p80 h ALA 211 Ca -0.32 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1p80 h ALA 211 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1p80 h ALA 211 CO 0.47 -0.27 0.17 1.25 0.00 0.00 0.00 179.25 180.87 1p80 h HIS 212 N 0.00 0.00 -0.01 0.00 6.17 -1.96 -0.20 115.15 119.15 1p80 h HIS 212 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1p80 h HIS 212 Cb 0.46 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.39 1p80 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1p80 n LYS 213 N -4.45 1.45 -0.18 5.26 5.02 -0.57 -4.46 118.16 120.23 1p80 n LYS 213 Ca 0.03 -0.66 -0.05 0.00 -2.02 0.00 0.00 58.31 55.61 1p80 n LYS 213 Cb 0.32 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.89 1p80 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p80 h PHE 214 N 1.60 0.57 -0.83 2.13 3.04 -1.16 -1.45 116.94 120.84 1p80 h PHE 214 Ca 0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1p80 h PHE 214 Cb 0.34 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 1p80 h PHE 214 CO 0.00 0.31 0.49 -1.35 -2.02 0.00 0.00 178.31 175.74 1p80 h PRO 215 N 0.60 1.13 0.05 6.41 0.11 -1.79 0.65 132.00 139.16 1p80 h PRO 215 Ca 0.23 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1p80 h PRO 215 Cb 0.08 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.95 1p80 h PRO 215 CO -0.13 0.80 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.00 1p80 h ASP 216 N 1.15 -0.06 0.02 -2.05 3.45 -1.64 -0.69 116.42 116.60 1p80 h ASP 216 Ca 0.30 -0.23 0.01 0.00 0.43 0.00 0.00 57.03 57.54 1p80 h ASP 216 Cb -0.03 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1p80 h ASP 216 CO -0.05 0.20 -0.08 0.15 -1.57 0.00 0.00 179.24 177.88 1p80 h PHE 217 N -0.33 -0.21 -0.84 4.55 3.04 -1.08 -1.10 116.94 120.98 1p80 h PHE 217 Ca -0.01 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1p80 h PHE 217 Cb 0.29 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 1p80 h PHE 217 CO 0.01 -0.13 0.48 0.28 -2.02 0.00 0.00 178.31 176.93 1p80 h VAL 218 N -0.15 1.24 -0.77 1.41 2.07 -0.90 -0.95 116.25 118.19 1p80 h VAL 218 Ca 0.03 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1p80 h VAL 218 Cb 0.18 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1p80 h VAL 218 CO -0.07 0.26 0.45 0.45 0.02 0.00 0.00 177.57 178.68 1p80 h HIS 219 N 1.16 1.03 -0.36 1.57 3.86 -0.96 -1.19 115.15 120.26 1p80 h HIS 219 Ca 0.30 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.38 1p80 h HIS 219 Cb -0.01 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1p80 h HIS 219 CO 0.00 0.70 -0.28 0.00 0.86 0.00 0.00 177.93 179.21 1p80 h ALA 220 N 1.42 0.83 0.00 2.45 0.00 -0.50 -3.20 119.26 120.26 1p80 h ALA 220 Ca 0.28 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1p80 h ALA 220 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1p80 h ALA 220 CO -0.05 0.64 -0.90 -0.24 0.00 0.00 0.00 179.25 178.70 1p80 h VAL 221 N 0.65 1.19 -3.94 0.00 3.04 -0.79 -2.46 116.25 113.95 1p80 h VAL 221 Ca 0.08 -2.75 -0.45 0.00 -1.01 0.00 0.00 66.70 62.57 1p80 h VAL 221 Cb 0.80 2.57 0.15 0.00 -2.01 0.00 0.00 31.29 32.80 1p80 h VAL 221 CO 0.07 0.68 0.21 -0.54 -1.01 0.00 0.00 177.57 176.98 1p80 s LYS 222 N -2.82 0.48 0.25 4.17 -0.14 -0.48 -4.76 119.74 116.43 1p80 s LYS 222 Ca 0.01 0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.74 1p80 s LYS 222 Cb 0.09 -1.75 -0.14 0.00 -1.68 0.00 0.00 37.83 34.35 1p80 s LYS 222 CO 0.79 -2.68 1.28 -2.30 -0.76 0.00 0.00 175.35 171.68 1p80 n PRO 223 N -4.12 1.77 -1.92 -1.68 -0.02 -1.25 -4.80 135.00 122.99 1p80 n PRO 223 Ca 0.05 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1p80 n PRO 223 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1p80 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 224 N -0.79 3.87 0.46 -0.52 2.02 -0.53 -4.70 118.70 118.50 1p80 s GLU 224 Ca 0.66 2.32 0.20 0.00 0.02 0.00 0.00 54.97 58.17 1p80 s GLU 224 Cb -0.69 -2.74 1.13 0.00 0.10 0.00 0.00 34.13 31.93 1p80 s GLU 224 CO 0.54 -0.63 1.98 -1.00 0.02 0.00 0.00 175.26 176.16 1p80 h PRO 225 N 2.57 0.00 0.01 0.39 0.13 -1.90 0.19 132.00 133.39 1p80 h PRO 225 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1p80 h PRO 225 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p80 h PRO 225 CO 0.62 0.20 -0.00 1.12 -0.23 0.00 0.00 178.00 179.71 1p80 h HIS 226 N 0.00 -0.01 -0.01 1.56 2.07 -1.97 -3.39 115.15 113.41 1p80 h HIS 226 Ca -0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1p80 h HIS 226 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1p80 h HIS 226 CO 0.00 0.60 -0.12 -2.67 -3.07 0.00 0.00 177.93 172.67 1p80 n TRP 227 N -4.80 0.00 -3.37 6.12 4.27 -1.20 -5.04 117.44 113.43 1p80 n TRP 227 Ca -0.09 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.35 1p80 n TRP 227 Cb 0.31 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.33 1p80 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p80 n ALA 228 N -0.18 -2.25 -2.96 -1.67 0.00 0.68 -4.99 120.51 109.13 1p80 n ALA 228 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1p80 n ALA 228 Cb 0.15 -4.00 -0.12 0.00 0.00 0.00 0.00 19.45 15.49 1p80 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p80 s ILE 229 N -3.39 0.05 0.29 0.00 1.01 -1.25 -4.68 121.20 113.23 1p80 s ILE 229 Ca 0.22 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1p80 s ILE 229 Cb -0.03 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 1p80 s ILE 229 CO 0.74 -0.22 0.45 -2.16 0.00 0.00 0.00 174.94 173.76 1p80 s PRO 230 N -0.66 3.46 0.00 2.79 0.04 -1.26 -1.45 135.00 137.92 1p80 s PRO 230 Ca -0.07 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 60.26 1p80 s PRO 230 Cb -0.05 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1p80 s PRO 230 CO -0.00 0.29 0.86 0.37 0.04 0.00 0.00 177.00 178.56 1p80 h GLN 231 N 0.98 -0.54 0.00 4.56 5.75 -1.98 -3.32 115.11 120.57 1p80 h GLN 231 Ca -0.51 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1p80 h GLN 231 Cb 1.22 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1p80 h GLN 231 CO 0.61 -0.36 -0.09 0.41 -2.65 0.00 0.00 178.83 176.76 1p80 n GLY 232 N -0.21 3.73 3.32 2.39 0.00 -1.26 -3.82 105.19 109.33 1p80 n GLY 232 Ca -0.07 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1p80 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p80 s GLN 233 N -2.11 1.30 0.00 1.61 -1.52 -1.26 -4.57 119.66 113.10 1p80 s GLN 233 Ca 0.22 -1.19 0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1p80 s GLN 233 Cb 0.19 -1.61 0.53 0.00 -0.22 0.00 0.00 33.01 31.91 1p80 s GLN 233 CO 0.02 0.39 1.42 -1.13 -0.25 0.00 0.00 175.29 175.74 1p80 n SER 234 N 1.18 2.22 -3.71 5.90 3.41 -1.26 -4.72 113.62 116.63 1p80 n SER 234 Ca -0.19 -1.89 -0.42 0.00 -0.26 0.00 0.00 58.87 56.12 1p80 n SER 234 Cb 0.53 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1p80 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 n ALA 235 N 0.69 5.26 -3.26 7.33 0.00 -1.26 -4.66 120.51 124.62 1p80 n ALA 235 Ca 0.16 -3.80 -0.13 0.00 0.00 0.00 0.00 53.44 49.67 1p80 n ALA 235 Cb 0.38 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.24 1p80 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p80 s HIS 236 N 3.43 -0.39 0.19 0.00 -3.43 -1.26 -4.71 115.29 109.11 1p80 s HIS 236 Ca 0.48 0.31 -0.16 0.00 -0.80 0.00 0.00 55.06 54.89 1p80 s HIS 236 Cb 0.14 0.36 0.15 0.00 -1.43 0.00 0.00 32.58 31.81 1p80 s HIS 236 CO -0.06 -0.70 1.64 -0.44 -2.00 0.00 0.00 174.74 173.18 1p80 h ASP 237 N 2.53 -0.58 -0.67 7.38 5.19 -1.88 -2.81 116.42 125.58 1p80 h ASP 237 Ca -0.32 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1p80 h ASP 237 Cb 1.24 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 41.07 1p80 h ASP 237 CO 0.42 -0.20 0.40 0.71 -3.12 0.00 0.00 179.24 177.45 1p80 h THR 238 N -0.04 1.19 -0.12 0.35 1.35 -1.95 0.17 112.91 113.87 1p80 h THR 238 Ca 0.24 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1p80 h THR 238 Cb 0.41 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1p80 h THR 238 CO -0.54 0.20 0.03 0.15 -0.25 0.00 0.00 175.52 175.11 1p80 h PHE 239 N 0.93 0.19 0.00 4.73 3.57 -1.17 -2.23 116.94 122.96 1p80 h PHE 239 Ca 0.24 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1p80 h PHE 239 Cb -0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1p80 h PHE 239 CO 0.00 0.34 -0.31 -1.49 -2.23 0.00 0.00 178.31 174.63 1p80 h TRP 240 N -0.01 0.00 -0.01 0.41 4.06 -1.43 -1.02 115.95 117.94 1p80 h TRP 240 Ca 0.04 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1p80 h TRP 240 Cb 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1p80 h TRP 240 CO 0.01 0.31 0.00 0.22 -3.56 0.00 0.00 178.44 175.42 1p80 h ASP 241 N 0.00 0.02 -0.12 -3.49 3.58 -0.52 -1.35 116.42 114.55 1p80 h ASP 241 Ca -0.00 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.20 1p80 h ASP 241 Cb 0.81 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1p80 h ASP 241 CO 0.04 0.27 0.01 0.22 -2.88 0.00 0.00 179.24 176.90 1p80 h TYR 242 N -0.24 0.02 -0.57 0.28 5.03 -1.05 -2.36 116.97 118.08 1p80 h TYR 242 Ca 0.00 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.39 1p80 h TYR 242 Cb 0.26 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1p80 h TYR 242 CO 0.01 -0.00 0.24 0.28 -1.32 0.00 0.00 178.16 177.38 1p80 h VAL 243 N 0.06 0.85 0.00 1.81 2.07 -1.16 -0.81 116.25 119.06 1p80 h VAL 243 Ca 0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1p80 h VAL 243 Cb 0.05 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1p80 h VAL 243 CO -0.08 0.08 -0.16 0.77 0.02 0.00 0.00 177.57 178.20 1p80 h SER 244 N 0.45 0.00 0.14 0.57 4.64 -0.84 -2.53 113.55 115.99 1p80 h SER 244 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1p80 h SER 244 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1p80 h SER 244 CO -0.24 0.16 -0.65 0.18 -0.87 0.00 0.00 176.83 175.41 1p80 n LEU 245 N -3.93 1.14 -3.48 5.97 4.77 -0.79 -4.70 117.00 116.00 1p80 n LEU 245 Ca -0.02 -0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 55.27 1p80 n LEU 245 Cb 0.25 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 1p80 n LEU 245 CO 0.33 0.24 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.25 1p80 s GLN 246 N -2.80 1.05 0.65 3.23 -1.52 -0.38 -5.00 119.66 114.89 1p80 s GLN 246 Ca 0.14 -2.13 0.36 0.00 -1.95 0.00 0.00 55.36 51.78 1p80 s GLN 246 Cb 0.17 -1.68 1.99 0.00 -0.22 0.00 0.00 33.01 33.27 1p80 s GLN 246 CO 0.71 -1.34 2.16 -1.00 -0.25 0.00 0.00 175.29 175.57 1p80 h PRO 247 N 5.87 0.00 -0.09 2.91 0.13 -1.84 -1.30 132.00 137.68 1p80 h PRO 247 Ca 0.21 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1p80 h PRO 247 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p80 h PRO 247 CO 0.40 0.00 0.12 1.05 -0.23 0.00 0.00 178.00 179.34 1p80 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.89 -1.56 114.58 116.10 1p80 h GLU 248 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1p80 h GLU 248 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1p80 h GLU 248 CO -0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 1p80 n THR 249 N -3.71 0.60 -0.29 -1.06 -2.24 -0.49 -4.20 114.28 102.89 1p80 n THR 249 Ca -0.01 0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1p80 n THR 249 Cb 0.22 -0.81 0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1p80 n THR 249 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1p80 h LEU 250 N 0.00 1.10 0.27 3.22 3.38 -1.48 -1.74 115.31 120.06 1p80 h LEU 250 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1p80 h LEU 250 Cb 0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1p80 h LEU 250 CO 0.00 0.97 -0.26 -0.74 0.09 0.00 0.00 178.44 178.50 1p80 h HIS 251 N 1.16 -0.70 0.00 1.13 2.76 -1.81 -0.02 115.15 117.68 1p80 h HIS 251 Ca 0.27 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1p80 h HIS 251 Cb 0.21 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1p80 h HIS 251 CO 0.02 -0.38 -0.40 -0.97 -1.30 0.00 0.00 177.93 174.90 1p80 h ASN 252 N -0.56 0.00 -0.82 3.26 -0.00 -1.75 -2.04 115.58 113.67 1p80 h ASN 252 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1p80 h ASN 252 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.80 1p80 h ASN 252 CO -0.05 0.40 0.49 0.58 -0.00 0.00 0.00 177.43 178.85 1p80 h VAL 253 N 0.00 1.23 -0.37 2.57 2.07 -1.09 -0.24 116.25 120.43 1p80 h VAL 253 Ca -0.00 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1p80 h VAL 253 Cb 0.77 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1p80 h VAL 253 CO 0.05 0.24 0.19 0.24 0.02 0.00 0.00 177.57 178.31 1p80 h MET 254 N 1.13 0.37 -0.69 1.57 2.86 -0.28 -0.87 114.93 119.02 1p80 h MET 254 Ca 0.30 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1p80 h MET 254 Cb -0.04 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1p80 h MET 254 CO -0.05 0.25 0.38 -1.49 1.06 0.00 0.00 176.91 177.05 1p80 h TRP 255 N 0.38 0.95 -0.51 -0.22 4.06 -1.13 -2.32 115.95 117.16 1p80 h TRP 255 Ca 0.15 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.03 1p80 h TRP 255 Cb 0.06 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 1p80 h TRP 255 CO -0.10 0.67 0.09 0.00 -3.56 0.00 0.00 178.44 175.55 1p80 h ALA 256 N 1.19 1.20 0.00 1.49 0.00 -0.46 -2.66 119.26 120.02 1p80 h ALA 256 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1p80 h ALA 256 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1p80 h ALA 256 CO -0.04 0.54 -0.03 0.52 0.00 0.00 0.00 179.25 180.24 1p80 h MET 257 N 0.76 0.00 -7.66 0.00 2.86 -1.10 -3.34 114.93 106.45 1p80 h MET 257 Ca 0.16 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.37 1p80 h MET 257 Cb 0.33 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.16 1p80 h MET 257 CO 0.00 0.03 0.32 -1.54 1.06 0.00 0.00 176.91 176.78 1p80 s SER 258 N -6.02 2.33 0.00 1.22 1.04 -0.88 -4.09 113.70 107.30 1p80 s SER 258 Ca 0.04 0.42 0.14 0.00 0.48 0.00 0.00 55.95 57.04 1p80 s SER 258 Cb 0.07 -0.55 0.69 0.00 0.10 0.00 0.00 66.02 66.33 1p80 s SER 258 CO 0.62 -3.23 1.40 0.47 0.98 0.00 0.00 173.24 173.48 1p80 n ASP 259 N -4.13 0.00 0.27 7.02 10.43 -1.26 -1.74 116.55 127.13 1p80 n ASP 259 Ca 0.14 0.18 0.10 0.00 2.57 0.00 0.00 54.79 57.78 1p80 n ASP 259 Cb 0.59 -0.33 0.72 0.00 1.84 0.00 0.00 41.12 43.94 1p80 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p80 h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.88 -2.09 114.38 111.63 1p80 h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1p80 h ARG 260 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1p80 h ARG 260 CO 0.00 0.03 0.00 0.41 0.56 0.00 0.00 179.97 180.97 1p80 n GLY 261 N -1.33 -1.02 2.21 0.04 0.00 -0.71 -4.11 105.19 100.26 1p80 n GLY 261 Ca -0.03 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1p80 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p80 n ILE 262 N -1.23 -0.41 -1.80 -0.61 -5.35 -0.79 -1.91 119.36 107.26 1p80 n ILE 262 Ca 0.13 -4.19 -0.37 0.00 -0.27 0.00 0.00 62.75 58.04 1p80 n ILE 262 Cb 0.17 -1.67 0.05 0.00 -1.74 0.00 0.00 39.64 36.46 1p80 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p80 s PRO 263 N -1.49 2.79 0.20 6.28 0.04 -1.26 -0.45 135.00 141.12 1p80 s PRO 263 Ca 0.36 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 1p80 s PRO 263 Cb 0.20 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.92 1p80 s PRO 263 CO -0.10 -1.42 1.53 -0.09 0.04 0.00 0.00 177.00 176.97 1p80 h ARG 264 N 0.87 0.52 -3.02 4.56 9.65 -1.56 -3.40 114.38 122.02 1p80 h ARG 264 Ca -0.51 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.03 1p80 h ARG 264 Cb 1.32 0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 29.80 1p80 h ARG 264 CO 0.55 0.91 0.15 0.45 2.80 0.00 0.00 179.97 184.83 1p80 s SER 265 N -6.90 -0.51 0.56 -3.80 0.15 -1.26 -4.94 113.70 97.00 1p80 s SER 265 Ca -0.07 -0.02 0.35 0.00 0.70 0.00 0.00 55.95 56.91 1p80 s SER 265 Cb 0.12 0.57 1.55 0.00 -1.71 0.00 0.00 66.02 66.55 1p80 s SER 265 CO 0.83 -0.92 2.06 1.88 1.20 0.00 0.00 173.24 178.29 1p80 h TYR 266 N 2.14 0.00 0.00 3.44 0.05 -1.91 -1.99 116.97 118.70 1p80 h TYR 266 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1p80 h TYR 266 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1p80 h TYR 266 CO 0.26 0.03 0.00 0.00 -1.05 0.00 0.00 178.16 177.40 1p80 h ARG 267 N 0.00 0.00 -0.63 4.88 3.08 -1.95 -3.32 114.38 116.43 1p80 h ARG 267 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1p80 h ARG 267 Cb 0.41 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.12 1p80 h ARG 267 CO 0.00 0.00 -0.67 0.25 -1.07 0.00 0.00 179.97 178.48 1p80 n THR 268 N -2.86 2.53 -4.21 2.04 -2.24 -0.75 -4.32 114.28 104.46 1p80 n THR 268 Ca 0.02 -3.97 -0.15 0.00 -2.27 0.00 0.00 64.05 57.68 1p80 n THR 268 Cb 0.36 -0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 67.50 1p80 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s MET 269 N -3.55 0.95 0.64 -0.78 0.23 -1.25 -1.41 119.30 114.12 1p80 s MET 269 Ca 0.49 -1.26 -0.08 0.00 -1.03 0.00 0.00 55.69 53.81 1p80 s MET 269 Cb 0.41 -0.63 0.01 0.00 -1.53 0.00 0.00 34.83 33.08 1p80 s MET 269 CO 0.02 0.10 0.98 -1.21 -2.03 0.00 0.00 175.02 172.88 1p80 s GLU 270 N -3.06 2.91 0.03 3.16 2.02 -1.26 -4.23 118.70 118.26 1p80 s GLU 270 Ca 0.10 0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.31 1p80 s GLU 270 Cb -0.02 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 1p80 s GLU 270 CO 0.01 -0.83 -0.11 0.20 0.02 0.00 0.00 175.26 174.55 1p80 s GLY 271 N -4.32 0.64 -0.02 -1.39 0.00 -0.73 -4.21 107.32 97.28 1p80 s GLY 271 Ca 0.55 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1p80 s GLY 271 CO 0.48 -0.68 0.09 -1.36 0.00 0.00 0.00 173.10 171.63 1p80 s PHE 272 N -0.79 -0.03 -0.65 1.90 0.08 0.39 -0.37 117.98 118.50 1p80 s PHE 272 Ca -0.00 0.09 0.25 0.00 0.12 0.00 0.00 56.93 57.39 1p80 s PHE 272 Cb -0.07 -0.01 0.67 0.00 -0.57 0.00 0.00 43.02 43.04 1p80 s PHE 272 CO 0.01 -0.12 1.72 0.78 -0.10 0.00 0.00 175.22 177.50 1p80 h GLY 273 N 5.43 0.00 0.00 4.36 0.00 -1.51 -1.99 103.07 109.36 1p80 h GLY 273 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1p80 h GLY 273 CO 0.43 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.36 1p80 n ILE 274 N -2.48 0.00 -1.98 2.60 5.41 -1.26 -4.83 119.36 116.82 1p80 n ILE 274 Ca 0.05 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.47 1p80 n ILE 274 Cb 0.46 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.41 1p80 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p80 s HIS 275 N 0.00 2.76 -0.11 1.39 3.76 -1.26 -4.90 115.29 116.93 1p80 s HIS 275 Ca 0.00 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.15 1p80 s HIS 275 Cb 0.00 -3.14 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 1p80 s HIS 275 CO 0.00 -1.45 1.03 0.99 -0.85 0.00 0.00 174.74 174.47 1p80 s THR 276 N -2.24 4.72 0.23 1.30 2.01 -1.26 -4.59 115.64 115.81 1p80 s THR 276 Ca 0.67 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.68 1p80 s THR 276 Cb -0.20 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.05 1p80 s THR 276 CO 0.36 -0.01 0.14 0.49 -0.69 0.00 0.00 174.62 174.91 1p80 n PHE 277 N 5.13 -0.77 -4.39 4.92 3.72 0.25 -4.27 117.46 122.06 1p80 n PHE 277 Ca 0.09 -1.02 -0.25 0.00 -0.05 0.00 0.00 57.45 56.22 1p80 n PHE 277 Cb 0.48 -0.18 -0.13 0.00 -0.94 0.00 0.00 39.48 38.71 1p80 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p80 s ARG 278 N -2.94 1.22 -0.09 -1.08 0.52 -0.18 -0.93 118.95 115.48 1p80 s ARG 278 Ca 0.11 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1p80 s ARG 278 Cb -0.01 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 1p80 s ARG 278 CO 0.07 0.35 -0.09 -0.51 0.02 0.00 0.00 175.30 175.14 1p80 s LEU 279 N -1.74 3.00 -0.13 2.53 1.43 0.14 -1.37 118.68 122.53 1p80 s LEU 279 Ca 0.07 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1p80 s LEU 279 Cb -0.10 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1p80 s LEU 279 CO 0.04 0.29 -0.16 -0.63 0.23 0.00 0.00 176.35 176.12 1p80 s ILE 280 N -0.38 1.63 0.71 -0.59 -1.09 -0.01 -1.27 121.20 120.20 1p80 s ILE 280 Ca 0.05 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1p80 s ILE 280 Cb -0.12 -1.50 0.13 0.00 -1.58 0.00 0.00 42.46 39.39 1p80 s ILE 280 CO 0.02 0.47 0.98 0.54 -1.23 0.00 0.00 174.94 175.72 1p80 s ASN 281 N 1.19 4.39 0.45 3.58 2.20 -0.69 -1.38 114.94 124.69 1p80 s ASN 281 Ca -0.01 -0.58 0.10 0.00 -0.94 0.00 0.00 52.86 51.43 1p80 s ASN 281 Cb -0.14 0.25 1.00 0.00 -2.00 0.00 0.00 41.25 40.37 1p80 s ASN 281 CO -0.06 -1.85 2.09 0.00 -2.94 0.00 0.00 177.10 174.34 1p80 h ALA 282 N -0.43 1.82 0.00 3.54 0.00 -1.88 -0.26 119.26 122.05 1p80 h ALA 282 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1p80 h ALA 282 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1p80 h ALA 282 CO 0.38 0.16 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1p80 n GLU 283 N -4.50 0.16 -0.38 0.00 4.71 -1.26 -4.75 120.64 114.63 1p80 n GLU 283 Ca 0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1p80 n GLU 283 Cb 0.08 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1p80 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p80 n GLY 284 N 0.66 0.75 3.73 0.62 0.00 -0.11 -5.04 105.19 105.80 1p80 n GLY 284 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1p80 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p80 s LYS 285 N -0.62 4.66 -0.13 1.61 2.20 -1.26 -4.78 119.74 121.42 1p80 s LYS 285 Ca 0.00 1.56 -0.07 0.00 -0.36 0.00 0.00 55.97 57.10 1p80 s LYS 285 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1p80 s LYS 285 CO 0.00 0.16 0.12 0.00 -0.36 0.00 0.00 175.35 175.27 1p80 s ALA 286 N -0.10 3.80 -0.05 3.13 0.00 -1.26 -1.70 121.76 125.57 1p80 s ALA 286 Ca 0.48 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1p80 s ALA 286 Cb -0.26 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1p80 s ALA 286 CO 0.32 0.56 -0.15 0.99 0.00 0.00 0.00 175.76 177.48 1p80 s THR 287 N -0.85 1.31 0.32 0.00 2.01 -0.40 -4.17 115.64 113.85 1p80 s THR 287 Ca 0.14 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 1p80 s THR 287 Cb -0.12 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 1p80 s THR 287 CO 0.03 0.39 1.06 -0.36 -0.69 0.00 0.00 174.62 175.05 1p80 s PHE 288 N 0.29 3.52 0.01 4.92 0.08 -0.14 -0.68 117.98 125.98 1p80 s PHE 288 Ca -0.09 1.71 -0.00 0.00 0.12 0.00 0.00 56.93 58.67 1p80 s PHE 288 Cb -0.13 -3.18 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1p80 s PHE 288 CO 0.03 -0.44 -0.01 0.54 -0.10 0.00 0.00 175.22 175.24 1p80 s VAL 289 N -1.36 0.05 -0.08 -0.44 0.11 -0.11 -1.28 120.40 117.31 1p80 s VAL 289 Ca 0.49 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1p80 s VAL 289 Cb -0.27 -0.13 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1p80 s VAL 289 CO 0.35 -0.24 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.52 1p80 s ARG 290 N -0.69 2.68 0.02 1.54 0.52 -0.55 -0.58 118.95 121.89 1p80 s ARG 290 Ca -0.08 -0.84 -0.15 0.00 -0.52 0.00 0.00 55.73 54.15 1p80 s ARG 290 Cb -0.05 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.23 1p80 s ARG 290 CO -0.00 0.25 0.42 -0.06 0.02 0.00 0.00 175.30 175.93 1p80 s PHE 291 N 0.15 3.72 0.04 -0.53 0.08 -1.26 -0.92 117.98 119.26 1p80 s PHE 291 Ca -0.12 1.00 0.04 0.00 0.12 0.00 0.00 56.93 57.97 1p80 s PHE 291 Cb -0.16 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1p80 s PHE 291 CO 0.06 0.62 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.69 1p80 s HIS 292 N -1.12 0.94 -0.10 0.36 3.76 -0.22 -1.36 115.29 117.55 1p80 s HIS 292 Ca 0.25 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 1p80 s HIS 292 Cb -0.17 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1p80 s HIS 292 CO 0.14 -0.01 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.21 1p80 s TRP 293 N -1.03 2.57 -0.20 1.40 0.52 0.50 -0.35 118.94 122.36 1p80 s TRP 293 Ca -0.03 -1.07 -0.05 0.00 0.02 0.00 0.00 56.10 54.96 1p80 s TRP 293 Cb -0.08 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1p80 s TRP 293 CO 0.01 -0.43 0.01 0.21 0.02 0.00 0.00 176.95 176.76 1p80 s LYS 294 N 0.38 3.65 -0.14 4.98 2.20 0.02 -1.77 119.74 129.06 1p80 s LYS 294 Ca -0.18 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1p80 s LYS 294 Cb -0.18 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1p80 s LYS 294 CO 0.08 0.04 1.33 -1.25 -0.36 0.00 0.00 175.35 175.19 1p80 s PRO 295 N 0.94 4.23 0.00 4.03 0.04 -1.26 -0.44 135.00 142.53 1p80 s PRO 295 Ca 0.01 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.05 1p80 s PRO 295 Cb -0.14 -3.79 1.05 0.00 0.04 0.00 0.00 34.50 31.66 1p80 s PRO 295 CO 0.02 -0.72 1.75 1.28 0.04 0.00 0.00 177.00 179.37 1p80 n LEU 296 N 6.60 0.00 -0.13 -3.56 4.77 -0.38 -1.80 117.00 122.50 1p80 n LEU 296 Ca 0.14 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1p80 n LEU 296 Cb 0.44 -0.43 0.44 0.00 -2.33 0.00 0.00 43.42 41.54 1p80 n LEU 296 CO 0.57 -0.09 0.70 0.00 -1.33 0.00 0.00 177.39 177.23 1p80 n ALA 297 N -1.43 3.03 0.00 -1.18 0.00 -1.26 -4.96 120.51 114.71 1p80 n ALA 297 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1p80 n ALA 297 Cb 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1p80 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p80 n GLY 298 N 1.37 0.42 3.72 0.00 0.00 -0.75 -3.90 105.19 106.06 1p80 n GLY 298 Ca 0.11 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 1p80 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p80 s LYS 299 N -1.82 4.28 -0.23 1.61 1.02 -1.26 -4.23 119.74 119.12 1p80 s LYS 299 Ca 0.00 0.22 -0.20 0.00 0.02 0.00 0.00 55.97 56.02 1p80 s LYS 299 Cb 0.00 -3.44 0.06 0.00 -0.52 0.00 0.00 37.83 33.93 1p80 s LYS 299 CO 0.00 0.18 0.59 0.00 -0.92 0.00 0.00 175.35 175.20 1p80 s ALA 300 N 0.63 -1.49 0.21 5.17 0.00 -0.50 -4.89 121.76 120.89 1p80 s ALA 300 Ca 0.20 1.74 0.04 0.00 0.00 0.00 0.00 51.96 53.94 1p80 s ALA 300 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1p80 s ALA 300 CO 0.06 -0.29 -0.03 -1.12 0.00 0.00 0.00 175.76 174.38 1p80 s SER 301 N 0.50 1.88 0.98 0.00 0.01 -1.26 -1.59 113.70 114.21 1p80 s SER 301 Ca -0.01 -1.17 -0.11 0.00 1.31 0.00 0.00 55.95 55.97 1p80 s SER 301 Cb -0.04 -0.00 0.15 0.00 0.21 0.00 0.00 66.02 66.33 1p80 s SER 301 CO -0.02 -0.46 0.91 0.18 0.41 0.00 0.00 173.24 174.27 1p80 n LEU 302 N -0.38 0.00 -4.70 2.44 4.77 0.40 -4.63 117.00 114.90 1p80 n LEU 302 Ca -0.06 -1.03 -0.27 0.00 -0.03 0.00 0.00 56.01 54.62 1p80 n LEU 302 Cb 0.63 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1p80 n LEU 302 CO 0.36 -1.14 -0.31 0.68 -1.33 0.00 0.00 177.39 175.65 1p80 s VAL 303 N -2.97 3.92 0.16 4.08 -7.23 -1.26 -4.93 120.40 112.17 1p80 s VAL 303 Ca 0.52 -1.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 1p80 s VAL 303 Cb -0.01 -2.97 0.09 0.00 0.56 0.00 0.00 36.38 34.04 1p80 s VAL 303 CO 0.36 -0.09 1.66 -0.25 -0.31 0.00 0.00 175.10 176.47 1p80 h TRP 304 N 2.68 -0.30 -0.96 2.82 2.91 -1.98 -0.96 115.95 120.16 1p80 h TRP 304 Ca -0.47 0.04 0.03 0.00 1.13 0.00 0.00 58.89 59.61 1p80 h TRP 304 Cb 1.20 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.99 1p80 h TRP 304 CO 0.61 -0.21 0.63 0.22 -1.03 0.00 0.00 178.44 178.67 1p80 h ASP 305 N -0.05 1.06 0.06 2.65 -0.00 -1.99 0.11 116.42 118.27 1p80 h ASP 305 Ca 0.18 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.20 1p80 h ASP 305 Cb 0.33 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 1p80 h ASP 305 CO -0.41 0.74 -0.03 -0.08 -0.00 0.00 0.00 179.24 179.46 1p80 h GLU 306 N 1.24 -0.08 -0.33 0.28 4.81 -1.87 -1.46 114.58 117.17 1p80 h GLU 306 Ca 0.37 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1p80 h GLU 306 Cb -0.05 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1p80 h GLU 306 CO -0.11 0.09 0.13 0.00 -0.73 0.00 0.00 179.01 178.39 1p80 h ALA 307 N 0.70 0.38 -0.49 2.92 0.00 -0.61 -0.11 119.26 122.05 1p80 h ALA 307 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1p80 h ALA 307 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1p80 h ALA 307 CO 0.01 -0.26 -0.04 0.37 0.00 0.00 0.00 179.25 179.34 1p80 h GLN 308 N 0.28 0.89 -0.23 0.00 4.15 -0.75 -2.36 115.11 117.09 1p80 h GLN 308 Ca 0.14 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 1p80 h GLN 308 Cb 0.10 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1p80 h GLN 308 CO -0.13 0.95 -0.19 -0.22 -1.93 0.00 0.00 178.83 177.30 1p80 h LYS 309 N 0.75 0.41 0.00 1.69 3.64 -1.07 -2.45 116.57 119.54 1p80 h LYS 309 Ca 0.14 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1p80 h LYS 309 Cb 0.57 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1p80 h LYS 309 CO 0.03 0.59 -0.18 1.25 -2.27 0.00 0.00 179.45 178.87 1p80 h LEU 310 N 0.37 0.00 -1.80 5.20 5.85 -0.78 -0.91 115.31 123.25 1p80 h LEU 310 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1p80 h LEU 310 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1p80 h LEU 310 CO 0.04 0.18 -0.14 0.71 -0.34 0.00 0.00 178.44 178.89 1p80 h THR 311 N 0.00 0.62 0.03 1.05 1.35 -0.92 -0.38 112.91 114.67 1p80 h THR 311 Ca -0.00 -0.62 -0.26 0.00 -0.55 0.00 0.00 66.41 64.97 1p80 h THR 311 Cb 0.57 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 1p80 h THR 311 CO 0.02 0.14 -1.42 1.23 -0.25 0.00 0.00 175.52 175.25 1p80 h GLY 312 N 0.96 0.08 1.48 5.82 0.00 -1.39 -3.23 103.07 106.80 1p80 h GLY 312 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1p80 h GLY 312 CO 0.02 0.18 -0.27 3.21 0.00 0.00 0.00 176.54 179.69 1p80 h ARG 313 N -0.73 0.59 -1.53 4.80 2.47 -1.10 -3.40 114.38 115.49 1p80 h ARG 313 Ca -0.36 -0.24 -0.26 0.00 -1.26 0.00 0.00 59.98 57.86 1p80 h ARG 313 Cb 1.49 -0.03 -0.25 0.00 -1.65 0.00 0.00 29.97 29.53 1p80 h ARG 313 CO -0.13 0.80 -0.61 0.34 0.56 0.00 0.00 179.97 180.93 1p80 s ASP 314 N -6.80 -0.10 0.22 7.04 2.15 -0.16 -5.00 116.67 114.03 1p80 s ASP 314 Ca -0.08 -1.53 0.17 0.00 0.43 0.00 0.00 52.55 51.54 1p80 s ASP 314 Cb 0.13 1.12 0.86 0.00 -0.30 0.00 0.00 42.92 44.73 1p80 s ASP 314 CO 0.81 -0.18 1.52 -0.81 -0.17 0.00 0.00 175.17 176.34 1p80 n PRO 315 N 3.91 0.11 -0.76 4.34 -0.04 -1.22 -1.82 135.00 139.53 1p80 n PRO 315 Ca 0.14 0.54 0.02 0.00 -0.04 0.00 0.00 63.50 64.17 1p80 n PRO 315 Cb 0.51 -1.82 0.29 0.00 -0.04 0.00 0.00 33.50 32.44 1p80 n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1p80 n ASP 316 N -2.05 4.33 -0.16 3.54 8.00 -1.26 -0.28 116.55 128.67 1p80 n ASP 316 Ca -0.00 -3.17 -0.03 0.00 0.71 0.00 0.00 54.79 52.30 1p80 n ASP 316 Cb 0.07 -0.65 0.07 0.00 -0.02 0.00 0.00 41.12 40.59 1p80 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p80 h PHE 317 N 2.34 0.27 -0.16 1.24 3.04 -1.70 0.40 116.94 122.36 1p80 h PHE 317 Ca 0.12 0.03 -0.20 0.00 3.98 0.00 0.00 57.97 61.89 1p80 h PHE 317 Cb 1.86 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1p80 h PHE 317 CO 0.92 0.07 -0.71 0.45 -2.02 0.00 0.00 178.31 177.02 1p80 h HIS 318 N 0.32 0.94 -0.45 0.41 3.86 -1.87 -1.43 115.15 116.93 1p80 h HIS 318 Ca 0.25 -0.39 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1p80 h HIS 318 Cb 0.29 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1p80 h HIS 318 CO -0.18 1.20 0.26 -0.09 0.86 0.00 0.00 177.93 179.98 1p80 h ARG 319 N 0.50 0.61 -0.08 2.45 2.43 -1.83 -1.52 114.38 116.94 1p80 h ARG 319 Ca -0.03 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1p80 h ARG 319 Cb 1.32 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1p80 h ARG 319 CO 0.14 0.46 0.02 -0.09 -1.51 0.00 0.00 179.97 178.98 1p80 h ARG 320 N 0.59 0.12 -0.95 0.20 2.43 -0.90 -2.33 114.38 113.53 1p80 h ARG 320 Ca 0.16 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1p80 h ARG 320 Cb 0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1p80 h ARG 320 CO -0.03 0.32 0.63 1.49 -1.51 0.00 0.00 179.97 180.87 1p80 h GLU 321 N -0.10 1.19 -0.10 0.20 4.22 -1.17 0.11 114.58 118.93 1p80 h GLU 321 Ca 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1p80 h GLU 321 Cb 0.26 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1p80 h GLU 321 CO 0.00 0.79 -0.00 1.25 -2.18 0.00 0.00 179.01 178.86 1p80 h LEU 322 N 1.23 0.18 -0.23 1.64 5.85 -1.20 -0.72 115.31 122.06 1p80 h LEU 322 Ca 0.37 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1p80 h LEU 322 Cb -0.04 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1p80 h LEU 322 CO -0.10 0.46 0.14 -0.25 -0.34 0.00 0.00 178.44 178.34 1p80 h TRP 323 N -0.10 0.26 -0.12 1.25 2.91 -0.98 -2.18 115.95 116.99 1p80 h TRP 323 Ca 0.03 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.95 1p80 h TRP 323 Cb 0.37 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1p80 h TRP 323 CO 0.04 0.16 -0.40 0.93 -1.03 0.00 0.00 178.44 178.14 1p80 h GLU 324 N 0.29 0.26 -0.52 2.65 5.08 -0.76 -1.38 114.58 120.20 1p80 h GLU 324 Ca 0.09 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1p80 h GLU 324 Cb -0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1p80 h GLU 324 CO -0.03 0.62 0.22 0.00 -1.00 0.00 0.00 179.01 178.82 1p80 h ALA 325 N 1.37 0.67 -0.36 3.43 0.00 -0.89 0.24 119.26 123.73 1p80 h ALA 325 Ca 0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1p80 h ALA 325 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1p80 h ALA 325 CO 0.06 0.27 -0.25 0.82 0.00 0.00 0.00 179.25 180.15 1p80 h ILE 326 N 0.69 1.27 0.00 0.00 2.04 -1.15 -0.05 117.51 120.32 1p80 h ILE 326 Ca 0.17 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 1p80 h ILE 326 Cb 0.18 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1p80 h ILE 326 CO -0.02 0.45 -0.25 -0.33 0.00 0.00 0.00 178.15 178.00 1p80 h GLU 327 N 0.63 0.00 0.00 2.37 5.08 -0.92 -2.57 114.58 119.17 1p80 h GLU 327 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1p80 h GLU 327 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1p80 h GLU 327 CO 0.06 0.25 -0.27 0.00 -1.00 0.00 0.00 179.01 178.05 1p80 n ALA 328 N -2.32 2.95 -0.48 3.43 0.00 0.04 -2.62 120.51 121.51 1p80 n ALA 328 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1p80 n ALA 328 Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1p80 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p80 n GLY 329 N 1.49 0.75 2.44 0.00 0.00 -0.93 -4.60 105.19 104.34 1p80 n GLY 329 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1p80 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 330 N 0.00 8.07 -4.71 1.61 10.43 -0.09 -4.98 116.55 126.88 1p80 n ASP 330 Ca 0.00 -3.02 -0.42 0.00 2.57 0.00 0.00 54.79 53.92 1p80 n ASP 330 Cb 0.00 -1.40 -0.03 0.00 1.84 0.00 0.00 41.12 41.53 1p80 n ASP 330 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1p80 s PHE 331 N -0.47 2.82 0.06 1.24 2.99 -1.26 -4.37 117.98 118.99 1p80 s PHE 331 Ca 0.58 0.38 -0.33 0.00 0.00 0.00 0.00 56.93 57.55 1p80 s PHE 331 Cb 0.20 -4.07 -0.12 0.00 0.00 0.00 0.00 43.02 39.03 1p80 s PHE 331 CO -0.09 -4.09 1.76 -2.30 -0.00 0.00 0.00 175.22 170.50 1p80 n PRO 332 N 4.32 2.34 -4.82 0.24 -0.02 -1.23 -4.78 135.00 131.04 1p80 n PRO 332 Ca 0.16 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 62.22 1p80 n PRO 332 Cb 0.37 -2.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.00 1p80 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 333 N 2.60 1.89 0.02 -0.52 2.02 -1.26 -0.93 118.70 122.52 1p80 s GLU 333 Ca 0.85 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 55.28 1p80 s GLU 333 Cb -0.63 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 1p80 s GLU 333 CO 0.43 0.19 -0.10 0.71 0.02 0.00 0.00 175.26 176.51 1p80 s TYR 334 N 0.20 0.89 -0.24 1.61 2.02 -0.04 -1.25 117.35 120.54 1p80 s TYR 334 Ca -0.08 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 1p80 s TYR 334 Cb -0.13 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 1p80 s TYR 334 CO 0.03 -0.01 0.14 -2.00 -1.57 0.00 0.00 175.55 172.14 1p80 s GLU 335 N -0.72 3.97 0.19 -0.62 2.12 0.41 -0.59 118.70 123.47 1p80 s GLU 335 Ca 0.01 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1p80 s GLU 335 Cb -0.06 -3.49 -0.08 0.00 0.26 0.00 0.00 34.13 30.77 1p80 s GLU 335 CO 0.00 0.01 1.13 -1.17 -0.54 0.00 0.00 175.26 174.69 1p80 s LEU 336 N 1.18 4.48 0.02 2.70 2.96 0.20 -0.80 118.68 129.43 1p80 s LEU 336 Ca 0.07 2.14 -0.01 0.00 -0.22 0.00 0.00 54.13 56.11 1p80 s LEU 336 Cb -0.14 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1p80 s LEU 336 CO 0.05 -0.26 -0.02 -0.83 -1.32 0.00 0.00 176.35 173.98 1p80 s GLY 337 N -0.10 0.25 -0.04 7.98 0.00 0.53 -0.66 107.32 115.27 1p80 s GLY 337 Ca 0.50 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.65 1p80 s GLY 337 CO 0.36 -0.69 -0.18 -1.36 0.00 0.00 0.00 173.10 171.22 1p80 s PHE 338 N -1.70 1.82 -0.26 1.90 2.99 0.09 -1.05 117.98 121.77 1p80 s PHE 338 Ca -0.14 -0.51 -0.14 0.00 0.00 0.00 0.00 56.93 56.14 1p80 s PHE 338 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 43.02 41.68 1p80 s PHE 338 CO -0.02 -0.16 0.31 -0.65 -0.00 0.00 0.00 175.22 174.70 1p80 s GLN 339 N -0.03 4.02 -0.12 0.44 -0.21 -0.09 -0.65 119.66 123.02 1p80 s GLN 339 Ca -0.03 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.30 1p80 s GLN 339 Cb -0.12 -3.63 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 1p80 s GLN 339 CO 0.02 -0.19 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.34 1p80 s LEU 340 N 1.81 2.61 -0.10 2.90 1.43 -1.26 -1.48 118.68 124.59 1p80 s LEU 340 Ca 0.13 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1p80 s LEU 340 Cb -0.15 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1p80 s LEU 340 CO 0.09 0.18 -0.11 -0.63 0.23 0.00 0.00 176.35 176.11 1p80 s ILE 341 N 0.25 1.21 0.71 -0.59 1.01 -0.40 -4.97 121.20 118.41 1p80 s ILE 341 Ca -0.10 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1p80 s ILE 341 Cb -0.16 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.18 1p80 s ILE 341 CO 0.06 0.39 1.24 -2.84 0.00 0.00 0.00 174.94 173.79 1p80 s PRO 342 N 1.26 2.25 0.27 2.79 0.02 -1.26 -0.96 135.00 139.37 1p80 s PRO 342 Ca -0.02 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.86 1p80 s PRO 342 Cb -0.14 -1.83 0.45 0.00 0.02 0.00 0.00 34.50 33.00 1p80 s PRO 342 CO -0.04 -1.78 1.87 1.49 -0.33 0.00 0.00 177.00 178.21 1p80 h GLU 343 N -0.02 1.09 0.00 5.54 4.81 -1.95 -1.12 114.58 122.92 1p80 h GLU 343 Ca -0.49 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1p80 h GLU 343 Cb 1.31 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1p80 h GLU 343 CO 0.51 0.72 0.00 -0.85 -0.73 0.00 0.00 179.01 178.66 1p80 n GLU 344 N -4.54 0.02 -0.60 1.92 0.00 -1.26 -2.38 120.64 113.80 1p80 n GLU 344 Ca 0.16 0.30 0.09 0.00 0.00 0.00 0.00 57.16 57.71 1p80 n GLU 344 Cb 0.23 -1.54 0.33 0.00 0.00 0.00 0.00 31.44 30.47 1p80 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p80 n ASP 345 N -1.58 4.66 -0.34 -1.84 8.00 -0.43 -4.64 116.55 120.38 1p80 n ASP 345 Ca 0.03 -2.58 0.07 0.00 0.71 0.00 0.00 54.79 53.02 1p80 n ASP 345 Cb 0.15 -0.56 0.23 0.00 -0.02 0.00 0.00 41.12 40.93 1p80 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p80 h GLU 346 N 3.54 0.84 -0.42 -1.24 4.81 -1.55 -2.66 114.58 117.90 1p80 h GLU 346 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p80 h GLU 346 Cb 1.49 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1p80 h GLU 346 CO 0.26 0.56 0.00 1.19 -0.73 0.00 0.00 179.01 180.29 1p80 n PHE 347 N -4.70 1.06 1.66 0.92 3.01 -1.26 -4.44 117.46 113.71 1p80 n PHE 347 Ca 0.18 -0.68 0.15 0.00 1.01 0.00 0.00 57.45 58.10 1p80 n PHE 347 Cb 0.38 -0.23 0.66 0.00 -0.01 0.00 0.00 39.48 40.29 1p80 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p80 n LYS 348 N 0.34 1.44 -3.10 -1.08 5.02 -1.00 -4.88 118.16 114.90 1p80 n LYS 348 Ca 0.21 -0.64 -0.18 0.00 -2.02 0.00 0.00 58.31 55.67 1p80 n LYS 348 Cb 0.79 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 1p80 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p80 s PHE 349 N -2.00 2.38 -2.13 2.13 0.40 -1.26 -5.00 117.98 112.50 1p80 s PHE 349 Ca 0.41 -0.51 0.16 0.00 -0.60 0.00 0.00 56.93 56.39 1p80 s PHE 349 Cb 0.21 -2.30 0.55 0.00 0.51 0.00 0.00 43.02 41.99 1p80 s PHE 349 CO 0.35 -0.59 1.41 -0.40 0.70 0.00 0.00 175.22 176.68 1p80 n ASP 350 N -1.93 1.62 -4.32 1.36 5.68 -1.26 -4.80 116.55 112.90 1p80 n ASP 350 Ca 0.09 -1.83 -0.18 0.00 -0.50 0.00 0.00 54.79 52.37 1p80 n ASP 350 Cb 0.60 -0.15 -0.10 0.00 -1.14 0.00 0.00 41.12 40.33 1p80 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1p80 s PHE 351 N -1.69 1.64 0.09 2.11 -0.12 -1.26 -5.05 117.98 113.69 1p80 s PHE 351 Ca 0.27 -0.58 -0.30 0.00 -0.05 0.00 0.00 56.93 56.27 1p80 s PHE 351 Cb 0.14 -0.78 -0.05 0.00 -0.63 0.00 0.00 43.02 41.70 1p80 s PHE 351 CO 0.21 0.30 0.97 0.34 -0.05 0.00 0.00 175.22 176.99 1p80 s ASP 352 N -3.14 7.46 0.50 1.98 3.68 -1.26 -4.93 116.67 120.96 1p80 s ASP 352 Ca 0.20 1.77 0.27 0.00 2.13 0.00 0.00 52.55 56.92 1p80 s ASP 352 Cb -0.01 -2.58 1.32 0.00 -1.45 0.00 0.00 42.92 40.19 1p80 s ASP 352 CO 0.06 -0.12 2.00 -0.07 0.13 0.00 0.00 175.17 177.17 1p80 h LEU 353 N 5.86 0.00 -0.53 -1.34 3.38 -1.97 -2.47 115.31 118.25 1p80 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1p80 h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1p80 h LEU 353 CO 0.73 0.14 0.00 0.18 0.09 0.00 0.00 178.44 179.58 1p80 n LEU 354 N -3.51 0.81 -4.57 1.67 4.77 -1.26 -4.41 117.00 110.50 1p80 n LEU 354 Ca -0.01 -0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1p80 n LEU 354 Cb 0.30 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1p80 n LEU 354 CO 0.31 0.14 0.41 -0.62 -1.33 0.00 0.00 177.39 176.30 1p80 s ASP 355 N -1.91 6.44 0.00 -1.43 3.68 -0.93 -4.35 116.67 118.17 1p80 s ASP 355 Ca 0.40 0.17 0.25 0.00 2.13 0.00 0.00 52.55 55.50 1p80 s ASP 355 Cb 0.20 -2.34 1.48 0.00 -1.45 0.00 0.00 42.92 40.81 1p80 s ASP 355 CO 0.33 -0.62 1.85 -0.81 0.13 0.00 0.00 175.17 176.05 1p80 n PRO 356 N 6.10 0.79 -0.07 4.34 -0.04 -1.26 -2.18 135.00 142.68 1p80 n PRO 356 Ca -0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1p80 n PRO 356 Cb 0.48 -1.49 0.27 0.00 -0.04 0.00 0.00 33.50 32.72 1p80 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p80 n THR 357 N -0.99 0.20 -4.84 0.52 -2.24 -1.26 -0.56 114.28 105.11 1p80 n THR 357 Ca 0.19 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1p80 n THR 357 Cb 0.09 0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 1p80 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p80 s LYS 358 N -1.80 2.77 0.33 -0.78 -0.14 -0.93 -4.86 119.74 114.32 1p80 s LYS 358 Ca 0.34 -0.68 0.07 0.00 -1.36 0.00 0.00 55.97 54.33 1p80 s LYS 358 Cb 0.21 -2.46 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1p80 s LYS 358 CO 0.30 0.51 0.42 -0.48 -0.76 0.00 0.00 175.35 175.34 1p80 s LEU 359 N -0.43 3.90 -0.38 3.17 0.05 -1.26 -4.83 118.68 118.88 1p80 s LEU 359 Ca 0.05 -0.25 -0.09 0.00 0.05 0.00 0.00 54.13 53.89 1p80 s LEU 359 Cb -0.12 -2.62 0.05 0.00 -2.05 0.00 0.00 46.19 41.45 1p80 s LEU 359 CO 0.02 -0.39 0.20 -0.63 -0.55 0.00 0.00 176.35 175.00 1p80 s ILE 360 N -2.20 4.20 0.28 1.48 1.01 -1.26 -5.06 121.20 119.65 1p80 s ILE 360 Ca 0.43 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1p80 s ILE 360 Cb -0.09 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 38.81 1p80 s ILE 360 CO 0.30 -0.33 1.43 -2.65 0.00 0.00 0.00 174.94 173.68 1p80 n PRO 361 N 4.91 2.23 0.27 2.79 -0.02 -1.26 -4.85 135.00 139.06 1p80 n PRO 361 Ca -0.11 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1p80 n PRO 361 Cb 0.44 -2.46 0.75 0.00 -0.02 0.00 0.00 33.50 32.21 1p80 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p80 h GLU 362 N 3.91 0.00 0.00 -0.52 5.08 -1.98 -1.43 114.58 119.65 1p80 h GLU 362 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1p80 h GLU 362 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1p80 h GLU 362 CO 0.73 0.10 -0.17 0.93 -1.00 0.00 0.00 179.01 179.60 1p80 h GLU 363 N 0.00 0.00 0.08 2.33 4.39 -1.97 -3.13 114.58 116.28 1p80 h GLU 363 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1p80 h GLU 363 Cb 0.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1p80 h GLU 363 CO 0.01 0.17 -1.75 1.28 -1.16 0.00 0.00 179.01 177.56 1p80 n LEU 364 N -3.72 2.37 -3.69 1.33 4.77 -0.59 -4.86 117.00 112.60 1p80 n LEU 364 Ca -0.02 0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 1p80 n LEU 364 Cb 0.28 -1.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.15 1p80 n LEU 364 CO 0.32 0.65 -0.34 -0.69 -1.33 0.00 0.00 177.39 176.00 1p80 s VAL 365 N -2.49 0.47 0.69 4.08 1.01 -0.87 -5.07 120.40 118.22 1p80 s VAL 365 Ca -0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1p80 s VAL 365 Cb 0.06 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1p80 s VAL 365 CO 0.71 -0.47 1.11 -2.16 0.00 0.00 0.00 175.10 174.29 1p80 s PRO 366 N 1.85 2.62 -0.29 2.72 0.04 -1.19 -4.16 135.00 136.60 1p80 s PRO 366 Ca 0.05 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 1p80 s PRO 366 Cb -0.17 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1p80 s PRO 366 CO -0.19 -1.39 0.71 0.08 0.04 0.00 0.00 177.00 176.24 1p80 s VAL 367 N -2.42 4.89 -0.06 -0.36 1.01 -1.26 -4.43 120.40 117.77 1p80 s VAL 367 Ca 0.66 1.10 -0.25 0.00 0.00 0.00 0.00 61.98 63.50 1p80 s VAL 367 Cb -0.21 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1p80 s VAL 367 CO 0.45 -0.14 0.76 -1.58 0.00 0.00 0.00 175.10 174.59 1p80 s GLN 368 N 2.73 4.46 0.29 2.72 0.74 0.17 -4.82 119.66 125.95 1p80 s GLN 368 Ca 0.29 0.99 -0.29 0.00 0.05 0.00 0.00 55.36 56.40 1p80 s GLN 368 Cb -0.15 -3.45 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 1p80 s GLN 368 CO 0.11 0.03 1.22 1.03 -0.55 0.00 0.00 175.29 177.13 1p80 s ARG 369 N 0.88 4.48 0.00 1.67 0.52 -1.26 -0.73 118.95 124.51 1p80 s ARG 369 Ca 0.40 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1p80 s ARG 369 Cb -0.18 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1p80 s ARG 369 CO 0.20 -0.03 0.00 0.28 0.02 0.00 0.00 175.30 175.77 1p80 n VAL 370 N 1.26 0.00 -3.96 3.52 0.31 0.16 -4.89 118.33 114.74 1p80 n VAL 370 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1p80 n VAL 370 Cb 0.43 -0.73 0.01 0.00 -0.91 0.00 0.00 33.84 32.65 1p80 n VAL 370 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1p80 s GLY 371 N -4.22 -0.10 -0.03 2.92 0.00 -1.12 -0.78 107.32 103.98 1p80 s GLY 371 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.79 1p80 s GLY 371 CO 0.00 5.04 -0.20 1.25 0.00 0.00 0.00 173.10 179.19 1p80 s LYS 372 N -2.05 1.83 -0.12 2.90 2.20 -0.45 -0.63 119.74 123.42 1p80 s LYS 372 Ca 0.28 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1p80 s LYS 372 Cb -0.01 -1.68 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 1p80 s LYS 372 CO -0.00 0.38 -0.17 1.41 -0.36 0.00 0.00 175.35 176.61 1p80 s MET 373 N -0.29 3.24 -0.11 4.03 -2.45 0.24 -1.96 119.30 122.00 1p80 s MET 373 Ca 0.03 -0.75 0.02 0.00 -1.25 0.00 0.00 55.69 53.74 1p80 s MET 373 Cb -0.10 -2.51 0.01 0.00 1.25 0.00 0.00 34.83 33.49 1p80 s MET 373 CO 0.01 0.22 -0.17 0.08 1.05 0.00 0.00 175.02 176.20 1p80 s VAL 374 N 0.31 1.66 -0.39 10.11 1.01 -0.34 -0.86 120.40 131.90 1p80 s VAL 374 Ca -0.13 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1p80 s VAL 374 Cb -0.16 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1p80 s VAL 374 CO 0.07 0.47 0.40 -0.76 0.00 0.00 0.00 175.10 175.28 1p80 s LEU 375 N 0.89 4.72 -0.01 3.92 1.02 -0.10 -1.19 118.68 127.93 1p80 s LEU 375 Ca -0.08 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1p80 s LEU 375 Cb -0.15 -2.35 0.01 0.00 0.02 0.00 0.00 46.19 43.72 1p80 s LEU 375 CO -0.01 -0.48 0.88 -0.46 0.02 0.00 0.00 176.35 176.31 1p80 n ASN 376 N 5.48 1.49 -3.71 2.29 6.94 -0.51 -3.56 115.26 123.69 1p80 n ASN 376 Ca -0.08 -1.81 -0.12 0.00 -0.02 0.00 0.00 54.58 52.55 1p80 n ASN 376 Cb 0.48 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.78 1p80 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1p80 s ARG 377 N -0.83 0.46 0.60 -3.83 3.52 -0.95 -4.99 118.95 112.93 1p80 s ARG 377 Ca 0.02 0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 56.23 1p80 s ARG 377 Cb 0.01 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1p80 s ARG 377 CO 0.00 -0.11 0.98 -0.80 -0.81 0.00 0.00 175.30 174.56 1p80 s ASN 378 N 0.81 6.15 1.14 -2.12 0.01 -1.26 -0.57 114.94 119.10 1p80 s ASN 378 Ca -0.05 1.26 -0.14 0.00 -0.71 0.00 0.00 52.86 53.23 1p80 s ASN 378 Cb -0.06 -2.35 0.26 0.00 0.41 0.00 0.00 41.25 39.52 1p80 s ASN 378 CO -0.06 -0.85 1.05 -2.16 -1.51 0.00 0.00 177.10 173.56 1p80 s PRO 379 N -5.09 -0.72 -0.17 -0.60 0.05 -1.26 -3.71 135.00 123.50 1p80 s PRO 379 Ca 0.54 0.54 -0.11 0.00 0.05 0.00 0.00 61.00 62.01 1p80 s PRO 379 Cb -0.11 -1.60 -0.22 0.00 0.05 0.00 0.00 34.50 32.62 1p80 s PRO 379 CO 0.52 -3.51 0.23 -0.25 0.05 0.00 0.00 177.00 174.03 1p80 n ASP 380 N -4.73 2.02 -3.83 6.66 10.43 -1.26 -1.35 116.55 124.49 1p80 n ASP 380 Ca 0.05 0.26 -0.24 0.00 2.57 0.00 0.00 54.79 57.43 1p80 n ASP 380 Cb 0.56 -0.86 -0.17 0.00 1.84 0.00 0.00 41.12 42.49 1p80 n ASP 380 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p80 s ASN 381 N -6.97 1.74 0.16 -2.24 3.84 -1.26 -4.64 114.94 105.56 1p80 s ASN 381 Ca -0.26 -0.17 -0.16 0.00 0.21 0.00 0.00 52.86 52.48 1p80 s ASN 381 Cb 0.07 -0.59 0.04 0.00 -0.55 0.00 0.00 41.25 40.22 1p80 s ASN 381 CO 0.68 -0.15 1.80 0.15 -2.79 0.00 0.00 177.10 176.79 1p80 h PHE 382 N 8.15 0.45 0.20 0.43 3.57 -1.98 -2.26 116.94 125.50 1p80 h PHE 382 Ca -0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1p80 h PHE 382 Cb 1.13 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1p80 h PHE 382 CO 0.48 0.26 -0.10 0.35 -2.23 0.00 0.00 178.31 177.07 1p80 h PHE 383 N 0.48 -0.25 -0.87 0.41 3.04 -1.96 0.17 116.94 117.97 1p80 h PHE 383 Ca 0.16 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1p80 h PHE 383 Cb 0.00 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1p80 h PHE 383 CO -0.07 -0.06 0.54 0.00 -2.02 0.00 0.00 178.31 176.70 1p80 h ALA 384 N 0.38 1.11 0.00 2.41 0.00 -1.95 -2.09 119.26 119.12 1p80 h ALA 384 Ca -0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.38 1p80 h ALA 384 Cb 0.30 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1p80 h ALA 384 CO 0.05 0.55 -2.48 0.39 0.00 0.00 0.00 179.25 177.75 1p80 n GLU 385 N -4.43 0.61 -0.04 0.00 1.02 -0.86 -4.22 120.64 112.72 1p80 n GLU 385 Ca 0.09 0.20 -0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1p80 n GLU 385 Cb 0.04 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1p80 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p80 h ASN 386 N -0.49 0.00 -0.74 1.62 -0.73 -0.87 -3.19 115.58 111.18 1p80 h ASN 386 Ca -0.63 0.00 0.10 0.00 1.87 0.00 0.00 56.30 57.64 1p80 h ASN 386 Cb 1.74 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.26 1p80 h ASN 386 CO -0.26 0.37 0.37 -0.08 -0.37 0.00 0.00 177.43 177.47 1p80 h GLU 387 N -0.72 0.60 -0.00 6.67 4.57 -1.01 -1.64 114.58 123.05 1p80 h GLU 387 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1p80 h GLU 387 Cb 0.03 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1p80 h GLU 387 CO 0.00 0.40 -0.03 1.04 -1.18 0.00 0.00 179.01 179.24 1p80 n GLN 388 N -4.86 1.06 -2.04 1.92 6.02 -0.80 -4.91 117.38 113.77 1p80 n GLN 388 Ca 0.12 -0.32 -0.39 0.00 -0.01 0.00 0.00 57.00 56.40 1p80 n GLN 388 Cb 0.30 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 1p80 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p80 s ALA 389 N -2.16 3.19 -0.20 -1.58 0.00 -0.62 -4.87 121.76 115.52 1p80 s ALA 389 Ca 0.39 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1p80 s ALA 389 Cb 0.21 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1p80 s ALA 389 CO 0.39 -0.87 -0.04 0.00 0.00 0.00 0.00 175.76 175.25 1p80 s ALA 390 N -1.30 1.61 0.09 0.00 0.00 -1.26 -5.05 121.76 115.85 1p80 s ALA 390 Ca 0.59 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1p80 s ALA 390 Cb -0.37 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1p80 s ALA 390 CO 0.47 -1.02 0.11 -0.06 0.00 0.00 0.00 175.76 175.26 1p80 s PHE 391 N 1.57 3.24 -0.23 0.00 0.08 -1.26 -5.01 117.98 116.37 1p80 s PHE 391 Ca -0.02 0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.03 1p80 s PHE 391 Cb -0.17 -1.63 0.09 0.00 -0.57 0.00 0.00 43.02 40.74 1p80 s PHE 391 CO -0.07 0.53 0.51 -1.58 -0.10 0.00 0.00 175.22 174.51 1p80 s HIS 392 N -1.45 -0.92 0.23 0.36 2.46 -1.26 -4.98 115.29 109.73 1p80 s HIS 392 Ca 0.30 1.75 0.35 0.00 0.47 0.00 0.00 55.06 57.93 1p80 s HIS 392 Cb -0.12 0.46 1.76 0.00 -0.13 0.00 0.00 32.58 34.55 1p80 s HIS 392 CO 0.23 -0.50 2.07 -1.00 -2.47 0.00 0.00 174.74 173.07 1p80 h PRO 393 N 7.76 0.00 0.00 2.88 0.13 -1.91 -0.84 132.00 140.02 1p80 h PRO 393 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1p80 h PRO 393 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1p80 h PRO 393 CO 0.16 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.34 1p80 n GLY 394 N -0.68 -1.38 3.56 1.56 0.00 -1.26 -4.49 105.19 102.49 1p80 n GLY 394 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1p80 n GLY 394 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p80 s HIS 395 N -3.15 2.69 0.51 1.61 3.76 -0.32 -4.95 115.29 115.44 1p80 s HIS 395 Ca 0.08 -1.22 0.06 0.00 -0.15 0.00 0.00 55.06 53.83 1p80 s HIS 395 Cb 0.12 -4.69 0.02 0.00 1.11 0.00 0.00 32.58 29.14 1p80 s HIS 395 CO 0.45 -1.85 0.36 0.96 -0.85 0.00 0.00 174.74 173.81 1p80 s ILE 396 N 4.44 1.88 0.19 0.60 -4.36 -1.26 -1.44 121.20 121.25 1p80 s ILE 396 Ca 0.48 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 1p80 s ILE 396 Cb 0.01 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 1p80 s ILE 396 CO -0.03 0.00 0.00 0.68 0.24 0.00 0.00 174.94 175.84 1p80 s VAL 397 N -2.71 0.73 0.15 8.37 -7.23 -1.26 -4.82 120.40 113.64 1p80 s VAL 397 Ca 0.36 -1.99 -0.34 0.00 -1.81 0.00 0.00 61.98 58.20 1p80 s VAL 397 Cb -0.01 -2.18 -0.15 0.00 0.56 0.00 0.00 36.38 34.61 1p80 s VAL 397 CO 0.22 -0.43 1.49 -2.65 -0.31 0.00 0.00 175.10 173.42 1p80 n PRO 398 N -0.28 1.88 0.00 4.82 -0.02 -1.26 -1.51 135.00 138.64 1p80 n PRO 398 Ca -0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1p80 n PRO 398 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1p80 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 399 N 3.04 1.26 3.40 -1.23 0.00 -1.26 -3.42 105.19 106.97 1p80 n GLY 399 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1p80 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 400 N 0.00 2.50 0.25 0.99 1.43 -0.57 -0.83 118.68 122.45 1p80 s LEU 400 Ca 0.00 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 51.95 1p80 s LEU 400 Cb 0.00 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.29 1p80 s LEU 400 CO 0.00 -0.00 0.67 -0.62 0.23 0.00 0.00 176.35 176.63 1p80 s ASP 401 N -3.02 -0.32 0.81 2.29 3.68 -0.47 -4.72 116.67 114.91 1p80 s ASP 401 Ca 0.22 -0.49 -0.05 0.00 2.13 0.00 0.00 52.55 54.36 1p80 s ASP 401 Cb -0.05 0.68 0.17 0.00 -1.45 0.00 0.00 42.92 42.27 1p80 s ASP 401 CO 0.10 -1.24 1.12 -0.36 0.13 0.00 0.00 175.17 174.92 1p80 s PHE 402 N -3.89 1.33 0.37 -5.34 0.40 -1.26 -1.01 117.98 108.58 1p80 s PHE 402 Ca 0.09 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1p80 s PHE 402 Cb -0.04 -3.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.12 1p80 s PHE 402 CO 0.02 -2.12 0.20 0.95 0.70 0.00 0.00 175.22 174.97 1p80 s THR 403 N -3.40 0.29 -1.80 0.64 -4.23 -1.26 -4.35 115.64 101.53 1p80 s THR 403 Ca 0.70 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 1p80 s THR 403 Cb -0.04 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.59 1p80 s THR 403 CO 0.48 0.00 1.10 0.59 -0.54 0.00 0.00 174.62 176.24 1p80 n ASN 404 N -1.42 1.28 -4.69 3.99 3.02 -1.26 -4.72 115.26 111.46 1p80 n ASN 404 Ca 0.00 -2.04 -0.57 0.00 -0.03 0.00 0.00 54.58 51.94 1p80 n ASN 404 Cb 0.64 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.53 1p80 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p80 n ASP 405 N 0.11 2.13 0.21 6.41 -0.08 -1.26 -4.80 116.55 119.26 1p80 n ASP 405 Ca 0.07 1.09 0.15 0.00 -1.51 0.00 0.00 54.79 54.59 1p80 n ASP 405 Cb 0.23 -1.13 0.58 0.00 2.34 0.00 0.00 41.12 43.14 1p80 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1p80 h PRO 406 N 6.51 0.00 0.05 -0.67 0.13 -1.76 -0.83 132.00 135.43 1p80 h PRO 406 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1p80 h PRO 406 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1p80 h PRO 406 CO 0.92 0.00 -0.39 1.25 -0.23 0.00 0.00 178.00 179.56 1p80 h LEU 407 N 0.00 0.15 -0.88 1.56 5.85 -1.81 -2.75 115.31 117.43 1p80 h LEU 407 Ca 0.00 -0.94 0.02 0.00 0.84 0.00 0.00 57.88 57.79 1p80 h LEU 407 Cb 0.46 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1p80 h LEU 407 CO 0.00 1.18 0.58 0.25 -0.34 0.00 0.00 178.44 180.10 1p80 h LEU 408 N -0.79 0.99 -0.86 2.25 5.85 -1.83 -2.31 115.31 118.60 1p80 h LEU 408 Ca -0.08 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1p80 h LEU 408 Cb 1.24 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 1p80 h LEU 408 CO 0.03 0.70 0.52 1.56 -0.34 0.00 0.00 178.44 180.92 1p80 h GLN 409 N 1.16 0.88 -0.08 1.25 1.08 -1.28 -1.98 115.11 116.15 1p80 h GLN 409 Ca 0.33 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.31 1p80 h GLN 409 Cb -0.09 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.13 1p80 h GLN 409 CO -0.09 0.58 -0.67 0.78 -0.95 0.00 0.00 178.83 178.49 1p80 h GLY 410 N 0.91 0.37 1.24 3.46 0.00 -1.58 -3.07 103.07 104.41 1p80 h GLY 410 Ca 0.40 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1p80 h GLY 410 CO -0.21 0.44 0.45 3.21 0.00 0.00 0.00 176.54 180.43 1p80 h ARG 411 N 0.24 0.82 -0.60 4.80 3.08 -0.81 -2.19 114.38 119.73 1p80 h ARG 411 Ca -0.02 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1p80 h ARG 411 Cb 1.22 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1p80 h ARG 411 CO 0.11 0.54 0.40 -0.07 -1.07 0.00 0.00 179.97 179.89 1p80 h LEU 412 N 0.85 0.30 0.04 3.04 3.38 -1.35 -2.39 115.31 119.18 1p80 h LEU 412 Ca 0.27 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1p80 h LEU 412 Cb 0.02 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1p80 h LEU 412 CO -0.07 0.17 -0.54 0.15 0.09 0.00 0.00 178.44 178.24 1p80 h PHE 413 N 0.33 0.47 -0.54 1.13 3.57 -1.54 -3.41 116.94 116.94 1p80 h PHE 413 Ca 0.28 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1p80 h PHE 413 Cb 0.66 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1p80 h PHE 413 CO -0.00 1.13 0.23 1.03 -2.23 0.00 0.00 178.31 178.47 1p80 h SER 414 N -0.33 0.74 -0.44 0.41 0.87 -1.23 -3.04 113.55 110.53 1p80 h SER 414 Ca -0.08 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1p80 h SER 414 Cb 1.31 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1p80 h SER 414 CO 0.10 0.70 0.07 1.88 -0.53 0.00 0.00 176.83 179.05 1p80 h TYR 415 N 0.74 0.78 -0.41 2.24 0.05 -1.77 -0.50 116.97 118.09 1p80 h TYR 415 Ca 0.18 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1p80 h TYR 415 Cb 0.18 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1p80 h TYR 415 CO 0.00 0.74 0.21 1.15 -1.05 0.00 0.00 178.16 179.22 1p80 h THR 416 N 0.59 1.16 -0.22 -2.88 2.02 -1.80 -2.54 112.91 109.24 1p80 h THR 416 Ca 0.13 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1p80 h THR 416 Cb 0.38 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1p80 h THR 416 CO 0.01 0.17 0.11 -0.78 0.37 0.00 0.00 175.52 175.40 1p80 h ASP 417 N 0.53 0.28 -0.06 4.18 3.58 -1.38 -2.94 116.42 120.61 1p80 h ASP 417 Ca 0.14 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 1p80 h ASP 417 Cb 0.08 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1p80 h ASP 417 CO -0.02 0.31 -0.12 0.00 -2.88 0.00 0.00 179.24 176.53 1p80 h THR 418 N 0.23 1.20 0.00 2.25 1.03 -1.03 -2.59 112.91 114.01 1p80 h THR 418 Ca 0.08 -0.88 -0.01 0.00 -0.01 0.00 0.00 66.41 65.58 1p80 h THR 418 Cb 0.10 1.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.34 1p80 h THR 418 CO -0.01 0.28 -0.04 1.56 -0.01 0.00 0.00 175.52 177.31 1p80 h GLN 419 N 0.34 0.00 -0.83 0.00 4.20 -1.28 -1.32 115.11 116.23 1p80 h GLN 419 Ca 0.07 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1p80 h GLN 419 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1p80 h GLN 419 CO 0.02 0.04 0.55 0.82 -0.67 0.00 0.00 178.83 179.59 1p80 h ILE 420 N 0.00 1.21 0.08 2.54 1.08 -1.33 -0.65 117.51 120.45 1p80 h ILE 420 Ca -0.00 -0.39 -0.33 0.00 -0.39 0.00 0.00 64.86 63.75 1p80 h ILE 420 Cb 0.63 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 1p80 h ILE 420 CO 0.00 0.21 -1.85 0.77 -0.69 0.00 0.00 178.15 176.59 1p80 h SER 421 N 1.12 0.28 -0.68 1.72 4.64 -1.60 -0.25 113.55 118.77 1p80 h SER 421 Ca 0.30 -0.59 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1p80 h SER 421 Cb -0.13 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1p80 h SER 421 CO -0.07 1.53 0.21 -0.09 -0.87 0.00 0.00 176.83 177.54 1p80 h ARG 422 N 0.05 1.08 -0.42 4.77 2.43 -1.20 -2.93 114.38 118.17 1p80 h ARG 422 Ca -0.36 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1p80 h ARG 422 Cb 2.03 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1p80 h ARG 422 CO 0.09 0.93 0.00 1.28 -1.51 0.00 0.00 179.97 180.76 1p80 n LEU 423 N -4.25 4.05 -0.21 3.80 4.77 -0.26 -4.38 117.00 120.52 1p80 n LEU 423 Ca 0.06 -2.60 -0.03 0.00 -0.03 0.00 0.00 56.01 53.41 1p80 n LEU 423 Cb 0.23 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1p80 n LEU 423 CO 0.41 0.72 -0.03 0.61 -1.33 0.00 0.00 177.39 177.78 1p80 n GLY 424 N 0.29 0.55 0.00 -0.72 0.00 -1.11 -4.79 105.19 99.41 1p80 n GLY 424 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1p80 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p80 n GLY 425 N -1.68 -1.70 0.17 -0.02 0.00 -0.12 -4.77 105.19 97.07 1p80 n GLY 425 Ca -0.03 -1.35 0.14 0.00 0.00 0.00 0.00 46.02 44.78 1p80 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p80 n PRO 426 N -0.49 0.87 -1.18 1.61 -0.04 -1.26 -3.74 135.00 130.78 1p80 n PRO 426 Ca 0.00 -0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 62.89 1p80 n PRO 426 Cb 0.00 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 1p80 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p80 n ASN 427 N -0.77 3.91 0.28 3.54 3.02 -1.26 -4.55 115.26 119.44 1p80 n ASN 427 Ca 0.16 -3.55 0.19 0.00 -0.03 0.00 0.00 54.58 51.35 1p80 n ASN 427 Cb 0.28 -0.83 0.86 0.00 -0.61 0.00 0.00 39.78 39.47 1p80 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p80 h PHE 428 N 1.01 0.00 0.00 3.10 -5.15 -1.87 -0.58 116.94 113.44 1p80 h PHE 428 Ca 0.61 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.38 1p80 h PHE 428 Cb 2.70 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.87 1p80 h PHE 428 CO 1.52 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 175.44 1p80 n HIS 429 N -2.97 0.00 0.96 6.09 1.44 -1.26 -2.18 115.22 117.30 1p80 n HIS 429 Ca -0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 1p80 n HIS 429 Cb 0.20 -0.48 0.11 0.00 0.12 0.00 0.00 29.99 29.94 1p80 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1p80 n GLU 430 N -1.48 0.03 -1.97 -1.40 1.02 -0.23 -3.30 120.64 113.31 1p80 n GLU 430 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1p80 n GLU 430 Cb 0.22 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1p80 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p80 s ILE 431 N -3.02 2.88 0.24 -3.67 1.01 -0.92 -4.86 121.20 112.86 1p80 s ILE 431 Ca 0.09 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1p80 s ILE 431 Cb 0.17 -3.34 0.29 0.00 0.01 0.00 0.00 42.46 39.59 1p80 s ILE 431 CO 0.76 0.02 1.57 -0.65 0.00 0.00 0.00 174.94 176.65 1p80 h PRO 432 N 7.38 -0.03 0.00 2.79 0.11 -1.89 0.26 132.00 140.62 1p80 h PRO 432 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1p80 h PRO 432 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p80 h PRO 432 CO 0.91 -0.02 -0.04 0.97 -0.21 0.00 0.00 178.00 179.61 1p80 h ILE 433 N -0.03 1.01 -0.00 4.15 6.09 -1.91 -2.53 117.51 124.29 1p80 h ILE 433 Ca 0.36 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.70 1p80 h ILE 433 Cb 0.61 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1p80 h ILE 433 CO -0.89 0.04 -0.32 0.59 -3.07 0.00 0.00 178.15 174.50 1p80 n ASN 434 N -4.45 0.59 -4.77 2.19 3.02 0.07 -4.92 115.26 106.99 1p80 n ASN 434 Ca -0.03 -0.40 -0.40 0.00 -0.03 0.00 0.00 54.58 53.72 1p80 n ASN 434 Cb 0.13 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1p80 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1p80 s ARG 435 N -2.78 4.35 0.66 3.52 0.52 -0.95 -4.86 118.95 119.40 1p80 s ARG 435 Ca 0.18 2.13 -0.16 0.00 -0.52 0.00 0.00 55.73 57.36 1p80 s ARG 435 Cb 0.19 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1p80 s ARG 435 CO 0.60 -0.16 1.15 -2.14 0.02 0.00 0.00 175.30 174.77 1p80 s PRO 436 N -1.80 2.69 0.00 3.54 0.02 -1.26 -4.93 135.00 133.25 1p80 s PRO 436 Ca 0.49 1.55 0.22 0.00 0.02 0.00 0.00 61.00 63.28 1p80 s PRO 436 Cb -0.38 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.10 1p80 s PRO 436 CO 0.50 -1.37 0.96 0.25 -0.33 0.00 0.00 177.00 177.01 1p80 n THR 437 N -2.32 0.01 -2.73 0.99 -2.24 -1.26 -4.92 114.28 101.81 1p80 n THR 437 Ca 0.12 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 1p80 n THR 437 Cb 0.51 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1p80 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s PRO 439 N -4.69 3.25 -0.05 0.00 0.02 -1.26 -5.04 135.00 127.24 1p80 s PRO 439 Ca 0.56 2.15 -0.02 0.00 0.02 0.00 0.00 61.00 63.71 1p80 s PRO 439 Cb -0.10 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.17 1p80 s PRO 439 CO 0.38 -1.08 0.09 1.52 -0.33 0.00 0.00 177.00 177.58 1p80 s TYR 440 N -1.35 -0.04 -0.10 6.54 1.13 -1.26 -4.98 117.35 117.30 1p80 s TYR 440 Ca 0.70 0.36 -0.04 0.00 -1.41 0.00 0.00 57.07 56.68 1p80 s TYR 440 Cb -0.38 -0.33 0.05 0.00 -1.10 0.00 0.00 41.96 40.19 1p80 s TYR 440 CO 0.45 -0.19 0.22 -1.01 -2.51 0.00 0.00 175.55 172.51 1p80 s HIS 441 N 1.90 -0.29 0.01 -3.49 3.76 -1.26 -5.16 115.29 110.76 1p80 s HIS 441 Ca 0.00 0.72 -0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1p80 s HIS 441 Cb -0.12 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.55 1p80 s HIS 441 CO -0.04 -0.23 0.02 0.27 -0.85 0.00 0.00 174.74 173.91 1p80 n ASN 442 N 4.43 -0.07 -1.32 1.40 0.23 -1.26 -4.92 115.26 113.75 1p80 n ASN 442 Ca -0.22 -1.05 0.09 0.00 -0.53 0.00 0.00 54.58 52.87 1p80 n ASN 442 Cb 0.52 0.12 0.31 0.00 -2.08 0.00 0.00 39.78 38.65 1p80 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p80 n PHE 443 N -0.02 1.13 -2.48 -2.53 3.01 -1.26 -4.93 117.46 110.38 1p80 n PHE 443 Ca -0.00 -0.58 -0.40 0.00 1.01 0.00 0.00 57.45 57.48 1p80 n PHE 443 Cb 0.02 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 1p80 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p80 s GLN 444 N -1.51 4.62 0.12 -1.08 -0.21 -1.26 -4.70 119.66 115.64 1p80 s GLN 444 Ca 0.45 1.78 -0.01 0.00 0.02 0.00 0.00 55.36 57.61 1p80 s GLN 444 Cb 0.27 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1p80 s GLN 444 CO 0.25 0.20 0.04 1.03 -2.12 0.00 0.00 175.29 174.69 1p80 s ARG 445 N -1.50 0.88 3.65 2.91 1.81 -1.26 -5.08 118.95 120.35 1p80 s ARG 445 Ca 0.45 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1p80 s ARG 445 Cb -0.31 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.42 1p80 s ARG 445 CO 0.40 -0.23 0.00 -0.25 -0.68 0.00 0.00 175.30 174.54 1p80 n ASP 446 N -0.06 -0.38 0.00 0.23 8.00 -1.26 -5.07 116.55 118.02 1p80 n ASP 446 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1p80 n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1p80 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p80 n GLY 447 N 0.00 0.89 3.74 0.44 0.00 -1.26 -4.70 105.19 104.30 1p80 n GLY 447 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1p80 n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p80 n MET 448 N 0.99 2.27 -3.85 1.61 1.56 -1.26 -2.89 117.12 115.54 1p80 n MET 448 Ca 0.00 0.80 -0.29 0.00 -0.27 0.00 0.00 57.70 57.94 1p80 n MET 448 Cb 0.00 -2.51 0.01 0.00 2.15 0.00 0.00 33.22 32.87 1p80 n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1p80 n HIS 449 N 0.11 -1.73 -2.29 1.12 -0.00 -1.26 -4.42 115.22 106.73 1p80 n HIS 449 Ca 0.04 0.60 -0.43 0.00 -0.00 0.00 0.00 57.72 57.93 1p80 n HIS 449 Cb 0.39 -3.59 -0.02 0.00 -0.00 0.00 0.00 29.99 26.76 1p80 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1p80 s ARG 450 N -6.38 4.16 -0.21 1.57 6.06 -1.14 -4.90 118.95 118.11 1p80 s ARG 450 Ca 0.20 1.76 -0.18 0.00 -2.50 0.00 0.00 55.73 55.02 1p80 s ARG 450 Cb -0.08 -3.85 -0.19 0.00 0.06 0.00 0.00 34.95 30.89 1p80 s ARG 450 CO 0.88 -0.82 0.13 -1.33 -2.50 0.00 0.00 175.30 171.66 1p80 n MET 451 N 6.88 0.60 -1.82 5.12 2.81 -1.26 -4.93 117.12 124.52 1p80 n MET 451 Ca 0.15 0.47 -0.42 0.00 -1.81 0.00 0.00 57.70 56.09 1p80 n MET 451 Cb 0.44 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1p80 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p80 s GLY 452 N -5.11 1.42 -0.49 3.03 0.00 -1.26 -4.97 107.32 99.94 1p80 s GLY 452 Ca -0.30 1.39 -0.15 0.00 0.00 0.00 0.00 44.72 45.66 1p80 s GLY 452 CO 0.60 2.94 0.42 -0.42 0.00 0.00 0.00 173.10 176.64 1p80 s ILE 453 N 2.19 5.12 0.14 0.90 1.01 -1.26 -4.97 121.20 124.33 1p80 s ILE 453 Ca 0.76 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1p80 s ILE 453 Cb -0.44 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 37.81 1p80 s ILE 453 CO 0.34 -0.68 1.01 -1.81 0.00 0.00 0.00 174.94 173.80 1p80 s ASP 454 N 2.90 7.42 0.00 3.58 1.11 -1.26 -4.94 116.67 125.49 1p80 s ASP 454 Ca 0.04 1.90 0.17 0.00 0.18 0.00 0.00 52.55 54.84 1p80 s ASP 454 Cb -0.26 -2.59 -0.13 0.00 1.07 0.00 0.00 42.92 41.00 1p80 s ASP 454 CO 0.05 -0.12 0.75 0.35 1.18 0.00 0.00 175.17 177.38 1p80 n THR 455 N 2.62 0.00 -1.68 -1.27 -2.24 -1.26 -4.96 114.28 105.49 1p80 n THR 455 Ca 0.02 -0.16 -0.46 0.00 -2.27 0.00 0.00 64.05 61.18 1p80 n THR 455 Cb 0.48 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1p80 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p80 n ASN 456 N -1.06 3.41 0.23 3.42 2.85 -1.26 -4.85 115.26 118.01 1p80 n ASN 456 Ca 0.04 1.04 0.07 0.00 -0.11 0.00 0.00 54.58 55.62 1p80 n ASN 456 Cb 0.28 -1.45 0.61 0.00 1.24 0.00 0.00 39.78 40.47 1p80 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p80 h PRO 457 N 7.24 0.06 -5.92 1.20 0.11 -1.93 -3.41 132.00 129.34 1p80 h PRO 457 Ca -0.46 -0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.03 1p80 h PRO 457 Cb 1.25 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1p80 h PRO 457 CO 0.92 0.05 -0.39 0.00 -0.21 0.00 0.00 178.00 178.37 1p80 s ALA 458 N -5.09 3.86 -0.12 -0.75 0.00 -1.26 -4.99 121.76 113.41 1p80 s ALA 458 Ca -0.05 -0.59 0.15 0.00 0.00 0.00 0.00 51.96 51.47 1p80 s ALA 458 Cb 0.17 -2.05 0.36 0.00 0.00 0.00 0.00 23.12 21.60 1p80 s ALA 458 CO 0.68 0.66 1.17 0.27 0.00 0.00 0.00 175.76 178.55 1p80 n ASN 459 N 1.00 1.45 -3.65 0.00 2.04 -1.26 -4.99 115.26 109.85 1p80 n ASN 459 Ca -0.10 -3.07 -0.11 0.00 -0.44 0.00 0.00 54.58 50.86 1p80 n ASN 459 Cb 0.53 -0.42 -0.05 0.00 -2.53 0.00 0.00 39.78 37.31 1p80 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p80 s TYR 460 N -1.97 -0.19 -0.01 -2.53 -0.85 -1.26 -4.81 117.35 105.73 1p80 s TYR 460 Ca 0.32 -0.11 -0.05 0.00 -0.52 0.00 0.00 57.07 56.71 1p80 s TYR 460 Cb 0.33 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.90 1p80 s TYR 460 CO -0.08 -0.68 0.11 -1.83 -1.52 0.00 0.00 175.55 171.55 1p80 s GLU 461 N -3.67 0.35 0.45 -3.49 4.04 -1.26 -4.06 118.70 111.05 1p80 s GLU 461 Ca 0.02 -0.24 -0.23 0.00 0.04 0.00 0.00 54.97 54.56 1p80 s GLU 461 Cb 0.02 0.14 -0.08 0.00 0.02 0.00 0.00 34.13 34.24 1p80 s GLU 461 CO -0.11 -0.07 1.14 -1.25 -1.84 0.00 0.00 175.26 173.13 1p80 s PRO 462 N -0.92 3.85 0.04 -4.83 0.04 -1.26 -5.20 135.00 126.73 1p80 s PRO 462 Ca -0.10 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1p80 s PRO 462 Cb -0.06 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1p80 s PRO 462 CO 0.01 -0.46 -0.08 0.54 0.04 0.00 0.00 177.00 177.04 1p80 s ASN 463 N -1.39 0.94 -0.11 6.66 2.20 -1.26 -5.02 114.94 116.96 1p80 s ASN 463 Ca 0.62 -0.54 0.18 0.00 -0.94 0.00 0.00 52.86 52.19 1p80 s ASN 463 Cb -0.27 0.02 -0.26 0.00 -2.00 0.00 0.00 41.25 38.73 1p80 s ASN 463 CO 0.33 -0.18 0.23 -1.54 -2.94 0.00 0.00 177.10 173.01 1p80 n SER 464 N 1.51 0.49 0.23 3.54 3.41 -1.26 -1.48 113.62 120.06 1p80 n SER 464 Ca -0.22 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.55 1p80 n SER 464 Cb 0.55 1.39 0.68 0.00 -0.26 0.00 0.00 64.21 66.57 1p80 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1p80 h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.98 -1.54 117.51 115.73 1p80 h ILE 465 Ca -0.27 -0.32 -0.01 0.00 1.55 0.00 0.00 64.86 65.81 1p80 h ILE 465 Cb 1.56 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 39.27 1p80 h ILE 465 CO 0.01 0.00 -0.28 -3.20 -1.05 0.00 0.00 178.15 173.64 1p80 n ASN 466 N -2.74 1.69 -3.53 2.16 5.15 -1.26 -4.89 115.26 111.84 1p80 n ASN 466 Ca 0.00 -3.00 -0.26 0.00 -0.60 0.00 0.00 54.58 50.73 1p80 n ASN 466 Cb 0.23 -0.40 0.01 0.00 -0.53 0.00 0.00 39.78 39.09 1p80 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p80 n ASP 467 N -0.97 -4.46 -1.32 1.20 2.03 -0.58 -1.93 116.55 110.53 1p80 n ASP 467 Ca 0.13 -0.53 -0.17 0.00 0.52 0.00 0.00 54.79 54.74 1p80 n ASP 467 Cb 0.70 -3.63 -0.07 0.00 -0.72 0.00 0.00 41.12 37.40 1p80 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p80 n ASN 468 N -2.52 -5.01 -4.87 1.67 5.15 -0.55 -4.99 115.26 104.13 1p80 n ASN 468 Ca -0.01 0.39 -0.33 0.00 -0.60 0.00 0.00 54.58 54.04 1p80 n ASN 468 Cb 0.55 -3.99 -0.05 0.00 -0.53 0.00 0.00 39.78 35.75 1p80 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p80 s TRP 469 N -2.63 3.51 0.42 1.20 0.52 -0.81 -3.63 118.94 117.51 1p80 s TRP 469 Ca 0.00 0.84 -0.24 0.00 0.02 0.00 0.00 56.10 56.72 1p80 s TRP 469 Cb 0.00 -2.22 -0.08 0.00 -1.15 0.00 0.00 33.47 30.02 1p80 s TRP 469 CO 0.00 0.39 1.13 -1.25 0.02 0.00 0.00 176.95 177.24 1p80 s PRO 470 N -2.41 3.98 0.09 4.98 0.04 -1.26 -4.90 135.00 135.52 1p80 s PRO 470 Ca 0.41 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1p80 s PRO 470 Cb -0.13 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1p80 s PRO 470 CO 0.21 -0.35 0.11 1.03 0.04 0.00 0.00 177.00 178.03 1p80 s ARG 471 N -2.51 2.97 0.71 4.56 0.52 -1.24 -5.03 118.95 118.93 1p80 s ARG 471 Ca 0.60 -0.68 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1p80 s ARG 471 Cb -0.27 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.45 1p80 s ARG 471 CO 0.34 0.56 1.17 0.39 0.02 0.00 0.00 175.30 177.78 1p80 n GLU 472 N 0.31 0.68 -4.11 3.54 1.02 -1.26 -5.03 120.64 115.79 1p80 n GLU 472 Ca -0.08 0.30 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 1p80 n GLU 472 Cb 0.52 -2.41 -0.17 0.00 -0.02 0.00 0.00 31.44 29.36 1p80 n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p80 s THR 473 N -1.71 0.96 0.67 2.62 2.01 -1.26 -5.08 115.64 113.85 1p80 s THR 473 Ca 0.77 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.31 1p80 s THR 473 Cb -0.35 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1p80 s THR 473 CO 0.46 0.34 1.15 -2.65 -0.69 0.00 0.00 174.62 173.24 1p80 n PRO 474 N 4.56 0.87 -1.87 4.92 -0.02 -1.26 -2.02 135.00 140.18 1p80 n PRO 474 Ca -0.16 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 1p80 n PRO 474 Cb 0.51 -2.39 0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1p80 n PRO 474 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1p80 s PRO 475 N -3.30 2.84 0.06 0.52 0.04 -1.26 -1.55 135.00 132.35 1p80 s PRO 475 Ca 0.79 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1p80 s PRO 475 Cb -0.37 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.27 1p80 s PRO 475 CO 0.44 -1.26 0.54 0.41 0.04 0.00 0.00 177.00 177.17 1p80 n GLY 476 N 0.03 0.81 0.34 0.56 0.00 -1.26 -4.78 105.19 100.89 1p80 n GLY 476 Ca 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 1p80 n GLY 476 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1p80 h PRO 477 N 0.00 1.08 -3.14 1.61 0.11 -1.95 -3.40 132.00 126.30 1p80 h PRO 477 Ca -0.12 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 1p80 h PRO 477 Cb 0.58 -0.20 -0.23 0.00 0.11 0.00 0.00 31.00 31.26 1p80 h PRO 477 CO 0.17 0.82 -0.38 0.15 -0.21 0.00 0.00 178.00 178.54 1p80 s LYS 478 N -5.65 0.43 -1.44 1.05 1.02 -1.26 -4.83 119.74 109.05 1p80 s LYS 478 Ca -0.11 0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 1p80 s LYS 478 Cb 0.17 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1p80 s LYS 478 CO 0.81 -0.09 0.07 0.54 -0.92 0.00 0.00 175.35 175.77 1p80 n ARG 479 N 2.28 -2.26 -3.31 1.68 5.12 -1.26 -4.97 116.66 113.94 1p80 n ARG 479 Ca -0.17 0.81 -0.21 0.00 -1.93 0.00 0.00 57.85 56.36 1p80 n ARG 479 Cb 0.57 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.41 1p80 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p80 s GLY 480 N -2.13 1.56 0.68 -0.13 0.00 -1.26 -4.95 107.32 101.09 1p80 s GLY 480 Ca 0.04 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.34 1p80 s GLY 480 CO 0.05 -1.17 1.08 -0.32 0.00 0.00 0.00 173.10 172.74 1p80 s GLY 481 N -4.18 1.95 0.06 0.20 0.00 -0.60 -4.79 107.32 99.96 1p80 s GLY 481 Ca 0.46 0.37 -0.31 0.00 0.00 0.00 0.00 44.72 45.24 1p80 s GLY 481 CO 0.34 0.70 1.19 -0.12 0.00 0.00 0.00 173.10 175.20 1p80 s PHE 482 N -2.62 3.45 -0.05 1.90 5.36 -1.26 -4.03 117.98 120.73 1p80 s PHE 482 Ca 0.63 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 1p80 s PHE 482 Cb -0.18 -3.40 0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1p80 s PHE 482 CO 0.46 -1.20 -0.11 -2.00 -1.46 0.00 0.00 175.22 170.92 1p80 s GLU 483 N 0.99 1.41 0.41 10.12 2.12 -1.26 -4.96 118.70 127.52 1p80 s GLU 483 Ca 0.58 -0.36 -0.25 0.00 0.36 0.00 0.00 54.97 55.30 1p80 s GLU 483 Cb -0.29 -1.22 -0.08 0.00 0.26 0.00 0.00 34.13 32.80 1p80 s GLU 483 CO 0.29 0.05 1.14 -1.12 -0.54 0.00 0.00 175.26 175.09 1p80 s SER 484 N 0.53 6.53 0.21 -1.70 0.01 -1.26 -4.97 113.70 113.05 1p80 s SER 484 Ca -0.10 2.28 -0.32 0.00 1.31 0.00 0.00 55.95 59.12 1p80 s SER 484 Cb -0.14 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.37 1p80 s SER 484 CO 0.02 -0.66 1.65 -0.47 0.41 0.00 0.00 173.24 174.19 1p80 s TYR 485 N -1.47 2.94 -1.56 2.43 5.04 -1.26 -4.85 117.35 118.61 1p80 s TYR 485 Ca 0.58 0.50 -0.11 0.00 -2.44 0.00 0.00 57.07 55.59 1p80 s TYR 485 Cb -0.29 -4.06 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 1p80 s TYR 485 CO 0.36 -3.92 2.69 1.04 -1.34 0.00 0.00 175.55 174.38 1p80 n GLN 486 N 3.71 3.42 -1.92 4.97 6.02 -1.26 -4.95 117.38 127.37 1p80 n GLN 486 Ca 0.14 -2.37 -0.41 0.00 -0.01 0.00 0.00 57.00 54.35 1p80 n GLN 486 Cb 0.37 -2.97 -0.01 0.00 1.02 0.00 0.00 30.24 28.64 1p80 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p80 s GLU 487 N 2.46 4.21 0.04 -1.09 2.12 -1.26 -4.97 118.70 120.21 1p80 s GLU 487 Ca 0.61 2.43 -0.30 0.00 0.36 0.00 0.00 54.97 58.07 1p80 s GLU 487 Cb 0.17 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1p80 s GLU 487 CO -0.07 -0.42 1.05 0.50 -0.54 0.00 0.00 175.26 175.78 1p80 s ARG 488 N -1.59 4.54 -0.16 4.30 6.06 -1.26 -5.04 118.95 125.80 1p80 s ARG 488 Ca 0.54 1.55 0.01 0.00 -2.50 0.00 0.00 55.73 55.33 1p80 s ARG 488 Cb -0.44 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.17 1p80 s ARG 488 CO 0.56 -0.07 -0.18 0.08 -2.50 0.00 0.00 175.30 173.19 1p80 s VAL 489 N 0.82 2.42 -0.18 7.11 1.01 -1.26 -5.10 120.40 125.22 1p80 s VAL 489 Ca 0.53 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1p80 s VAL 489 Cb -0.24 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1p80 s VAL 489 CO 0.29 0.53 0.22 -1.61 0.00 0.00 0.00 175.10 174.53 1p80 s GLU 490 N 0.90 0.17 0.00 2.72 2.02 -1.26 -5.14 118.70 118.11 1p80 s GLU 490 Ca -0.04 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1p80 s GLU 490 Cb -0.15 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.13 1p80 s GLU 490 CO -0.02 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1p80 n GLY 491 N 5.32 1.11 3.92 -1.39 0.00 -1.26 -5.15 105.19 107.74 1p80 n GLY 491 Ca -0.05 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1p80 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p80 s ASN 492 N 0.00 6.29 -0.42 1.61 -0.87 -1.26 -4.99 114.94 115.29 1p80 s ASN 492 Ca 0.00 0.69 -0.28 0.00 -1.57 0.00 0.00 52.86 51.70 1p80 s ASN 492 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1p80 s ASN 492 CO 0.00 -0.43 1.65 -0.54 -2.57 0.00 0.00 177.10 175.21 1p80 s LYS 493 N -4.50 3.29 0.05 -0.60 1.02 -1.26 -4.96 119.74 112.78 1p80 s LYS 493 Ca 0.44 1.05 0.02 0.00 0.02 0.00 0.00 55.97 57.50 1p80 s LYS 493 Cb -0.10 -4.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.02 1p80 s LYS 493 CO 0.40 -1.91 -0.08 0.14 -0.92 0.00 0.00 175.35 172.97 1p80 s VAL 494 N 6.70 0.61 -0.80 3.17 -7.23 -1.26 -5.07 120.40 116.52 1p80 s VAL 494 Ca 0.69 -1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 1p80 s VAL 494 Cb -0.17 -0.72 0.21 0.00 0.56 0.00 0.00 36.38 36.26 1p80 s VAL 494 CO 0.30 -0.39 0.69 -0.13 -0.31 0.00 0.00 175.10 175.27 1p80 s ARG 495 N -1.72 3.27 -0.14 4.82 0.52 -1.26 -5.01 118.95 119.43 1p80 s ARG 495 Ca -0.08 -2.68 -0.12 0.00 -0.52 0.00 0.00 55.73 52.32 1p80 s ARG 495 Cb -0.09 -4.14 0.04 0.00 0.52 0.00 0.00 34.95 31.27 1p80 s ARG 495 CO 0.00 -1.24 0.36 -2.00 0.02 0.00 0.00 175.30 172.44 1p80 s GLU 496 N -0.28 0.42 0.10 3.54 2.12 -1.26 -5.14 118.70 118.20 1p80 s GLU 496 Ca 0.20 0.51 -0.28 0.00 0.36 0.00 0.00 54.97 55.76 1p80 s GLU 496 Cb -0.13 0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.39 1p80 s GLU 496 CO -0.07 -0.06 0.89 0.50 -0.54 0.00 0.00 175.26 175.98 1p80 s ARG 497 N 0.25 4.64 0.33 4.30 6.06 -1.26 -5.01 118.95 128.26 1p80 s ARG 497 Ca -0.00 1.33 -0.29 0.00 -2.50 0.00 0.00 55.73 54.26 1p80 s ARG 497 Cb -0.03 -3.36 -0.11 0.00 0.06 0.00 0.00 34.95 31.51 1p80 s ARG 497 CO -0.00 0.27 1.55 0.45 -2.50 0.00 0.00 175.30 175.07 1p80 s SER 498 N -0.14 6.35 0.47 -2.12 0.15 -1.26 -4.87 113.70 112.28 1p80 s SER 498 Ca 0.44 3.00 0.16 0.00 0.70 0.00 0.00 55.95 60.24 1p80 s SER 498 Cb -0.23 -2.65 1.14 0.00 -1.71 0.00 0.00 66.02 62.58 1p80 s SER 498 CO 0.28 -0.90 2.04 -0.65 1.20 0.00 0.00 173.24 175.20 1p80 h PRO 499 N 4.07 0.23 0.00 5.44 0.11 -2.00 -0.07 132.00 139.78 1p80 h PRO 499 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p80 h PRO 499 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1p80 h PRO 499 CO 0.73 0.15 -0.02 0.66 -0.21 0.00 0.00 178.00 179.31 1p80 h SER 500 N 0.24 0.00 0.25 -2.05 4.64 -2.02 -1.60 113.55 113.01 1p80 h SER 500 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1p80 h SER 500 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1p80 h SER 500 CO -0.03 0.02 -0.12 0.49 -0.87 0.00 0.00 176.83 176.32 1p80 n PHE 501 N -3.33 0.00 -0.99 4.77 3.01 -0.04 -4.41 117.46 116.47 1p80 n PHE 501 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1p80 n PHE 501 Cb 0.14 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.41 1p80 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p80 n GLY 502 N 1.26 3.39 2.77 1.37 0.00 -0.60 -4.75 105.19 108.62 1p80 n GLY 502 Ca 0.15 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1p80 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p80 s GLU 503 N -0.31 0.31 0.00 1.61 -6.30 -1.26 -5.06 118.70 107.69 1p80 s GLU 503 Ca 0.45 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 1p80 s GLU 503 Cb 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 34.13 33.74 1p80 s GLU 503 CO -0.05 -0.23 0.15 0.66 0.02 0.00 0.00 175.26 175.80 1p80 n TYR 504 N 4.73 0.00 -0.03 5.30 4.01 -1.26 -4.89 117.16 125.02 1p80 n TYR 504 Ca -0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1p80 n TYR 504 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 1p80 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 n TYR 505 N -0.44 0.00 -0.10 -0.72 4.01 -1.26 -4.58 117.16 114.07 1p80 n TYR 505 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1p80 n TYR 505 Cb 0.03 -0.38 0.10 0.00 -0.31 0.00 0.00 39.34 38.78 1p80 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 h SER 506 N 0.00 0.79 -0.20 7.72 4.64 -1.90 -2.20 113.55 122.40 1p80 h SER 506 Ca -0.15 -0.26 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 1p80 h SER 506 Cb 1.11 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1p80 h SER 506 CO 0.01 0.95 -0.28 0.45 -0.87 0.00 0.00 176.83 177.09 1p80 h HIS 507 N 0.71 0.66 -0.73 4.77 3.86 -1.90 -0.39 115.15 122.12 1p80 h HIS 507 Ca 0.11 -0.22 0.13 0.00 -1.16 0.00 0.00 60.37 59.24 1p80 h HIS 507 Cb 0.65 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 1p80 h HIS 507 CO 0.03 0.93 0.29 -1.35 0.86 0.00 0.00 177.93 178.69 1p80 h PRO 508 N 0.21 0.44 -0.30 2.45 0.11 -1.80 -0.38 132.00 132.73 1p80 h PRO 508 Ca 0.02 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1p80 h PRO 508 Cb 0.85 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1p80 h PRO 508 CO 0.06 0.29 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.01 1p80 h ARG 509 N 0.45 0.56 -0.75 1.05 2.43 -1.23 -0.97 114.38 115.93 1p80 h ARG 509 Ca 0.40 -0.20 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1p80 h ARG 509 Cb 0.57 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1p80 h ARG 509 CO -0.38 0.74 0.42 1.25 -1.51 0.00 0.00 179.97 180.48 1p80 h LEU 510 N 0.33 0.61 -0.31 3.80 5.85 -0.42 -0.87 115.31 124.30 1p80 h LEU 510 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1p80 h LEU 510 Cb 0.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1p80 h LEU 510 CO 0.02 0.37 0.18 0.15 -0.34 0.00 0.00 178.44 178.83 1p80 h PHE 511 N 0.74 0.41 -0.12 1.25 3.04 -0.87 -2.58 116.94 118.82 1p80 h PHE 511 Ca 0.35 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.32 1p80 h PHE 511 Cb 0.27 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 1p80 h PHE 511 CO -0.07 0.31 -0.02 2.35 -2.02 0.00 0.00 178.31 178.86 1p80 h TRP 512 N 0.40 -0.05 0.00 0.41 2.91 -0.62 -2.24 115.95 116.75 1p80 h TRP 512 Ca 0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1p80 h TRP 512 Cb 0.02 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1p80 h TRP 512 CO -0.04 -0.04 0.00 -0.07 -1.03 0.00 0.00 178.44 177.26 1p80 h LEU 513 N 0.01 0.00 -0.19 0.65 3.38 -1.11 -2.68 115.31 115.37 1p80 h LEU 513 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1p80 h LEU 513 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1p80 h LEU 513 CO -0.12 0.00 -0.27 -1.20 0.09 0.00 0.00 178.44 176.94 1p80 n SER 514 N -2.63 0.56 -4.86 -0.43 7.64 -0.85 -4.86 113.62 108.20 1p80 n SER 514 Ca 0.01 -0.40 -0.32 0.00 1.01 0.00 0.00 58.87 59.18 1p80 n SER 514 Cb 0.24 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 1p80 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p80 s GLN 515 N -2.74 3.89 1.02 1.43 -1.52 -1.01 -4.32 119.66 116.42 1p80 s GLN 515 Ca 0.19 0.51 -0.12 0.00 -1.95 0.00 0.00 55.36 53.99 1p80 s GLN 515 Cb 0.19 -2.47 0.20 0.00 -0.22 0.00 0.00 33.01 30.71 1p80 s GLN 515 CO 0.57 0.14 1.08 0.95 -0.25 0.00 0.00 175.29 177.79 1p80 s THR 516 N -2.05 2.10 0.24 -0.19 -4.23 -1.26 -4.73 115.64 105.52 1p80 s THR 516 Ca 0.52 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1p80 s THR 516 Cb -0.10 -2.44 0.22 0.00 1.34 0.00 0.00 72.50 71.52 1p80 s THR 516 CO 0.22 -0.04 1.90 -0.65 -0.54 0.00 0.00 174.62 175.50 1p80 h PRO 517 N -2.02 1.14 0.00 3.99 0.11 -1.97 0.61 132.00 133.87 1p80 h PRO 517 Ca -0.55 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.36 1p80 h PRO 517 Cb 1.33 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1p80 h PRO 517 CO 0.56 0.76 -0.59 0.27 -0.21 0.00 0.00 178.00 178.78 1p80 h PHE 518 N 1.18 0.00 -0.31 0.65 -0.00 -1.97 -1.83 116.94 114.65 1p80 h PHE 518 Ca 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 58.18 1p80 h PHE 518 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.87 1p80 h PHE 518 CO -0.01 0.59 -0.37 0.93 -0.00 0.00 0.00 178.31 179.45 1p80 h GLU 519 N 0.00 0.71 -0.36 6.09 5.08 -1.66 -1.81 114.58 122.62 1p80 h GLU 519 Ca -0.01 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1p80 h GLU 519 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1p80 h GLU 519 CO 0.08 0.96 0.08 1.96 -1.00 0.00 0.00 179.01 181.09 1p80 h GLN 520 N 0.59 0.59 -0.74 2.33 4.20 -0.68 -1.75 115.11 119.65 1p80 h GLN 520 Ca 0.05 -0.15 0.09 0.00 0.06 0.00 0.00 58.65 58.71 1p80 h GLN 520 Cb 0.90 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.54 1p80 h GLN 520 CO 0.08 0.64 0.39 -0.09 -0.67 0.00 0.00 178.83 179.17 1p80 h ARG 521 N 0.44 0.64 -0.23 1.46 2.43 -1.20 -0.61 114.38 117.30 1p80 h ARG 521 Ca 0.11 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1p80 h ARG 521 Cb 0.32 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1p80 h ARG 521 CO 0.00 0.42 -0.17 0.45 -1.51 0.00 0.00 179.97 179.17 1p80 h HIS 522 N 0.66 0.43 -0.08 2.20 3.86 -0.96 0.36 115.15 121.62 1p80 h HIS 522 Ca 0.36 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1p80 h HIS 522 Cb 0.36 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1p80 h HIS 522 CO -0.09 0.55 -0.00 0.82 0.86 0.00 0.00 177.93 180.07 1p80 h ILE 523 N 0.36 1.26 -0.50 2.45 2.04 -0.76 0.81 117.51 123.17 1p80 h ILE 523 Ca 0.07 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.20 1p80 h ILE 523 Cb 0.51 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 1p80 h ILE 523 CO 0.03 0.22 0.14 0.58 0.00 0.00 0.00 178.15 179.13 1p80 h VAL 524 N -0.15 0.78 -0.37 1.67 2.07 -0.77 -1.32 116.25 118.16 1p80 h VAL 524 Ca 0.02 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1p80 h VAL 524 Cb 0.35 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1p80 h VAL 524 CO 0.00 0.05 -0.09 0.44 0.02 0.00 0.00 177.57 178.00 1p80 h ASP 525 N 0.30 0.61 0.38 0.57 3.45 -0.71 -1.02 116.42 120.00 1p80 h ASP 525 Ca 0.25 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 1p80 h ASP 525 Cb 0.30 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1p80 h ASP 525 CO -0.28 0.75 -0.18 1.23 -1.57 0.00 0.00 179.24 179.18 1p80 h GLY 526 N 0.95 -0.53 0.72 2.75 0.00 0.09 -0.71 103.07 106.34 1p80 h GLY 526 Ca 0.11 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1p80 h GLY 526 CO 0.03 -0.19 0.39 0.74 0.00 0.00 0.00 176.54 177.51 1p80 h PHE 527 N -0.58 0.73 -0.31 5.60 0.04 -1.16 -1.69 116.94 119.57 1p80 h PHE 527 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1p80 h PHE 527 Cb 0.43 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1p80 h PHE 527 CO -0.03 0.36 0.17 0.77 -0.60 0.00 0.00 178.31 178.98 1p80 h SER 528 N 0.73 0.39 0.08 2.17 0.02 -1.04 0.14 113.55 116.05 1p80 h SER 528 Ca 0.30 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1p80 h SER 528 Cb 0.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1p80 h SER 528 CO -0.17 0.36 -0.04 0.15 -1.14 0.00 0.00 176.83 176.00 1p80 h PHE 529 N 0.39 -0.10 -0.23 3.45 3.04 -0.94 -1.20 116.94 121.35 1p80 h PHE 529 Ca 0.11 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1p80 h PHE 529 Cb 0.06 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1p80 h PHE 529 CO -0.03 0.01 0.12 0.93 -2.02 0.00 0.00 178.31 177.32 1p80 h GLU 530 N -0.18 0.33 0.00 1.11 5.08 -1.19 -2.69 114.58 117.04 1p80 h GLU 530 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1p80 h GLU 530 Cb 0.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1p80 h GLU 530 CO 0.02 0.32 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.25 1p80 h LEU 531 N 0.25 0.00 -1.36 1.33 3.38 -0.94 -1.08 115.31 116.89 1p80 h LEU 531 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p80 h LEU 531 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1p80 h LEU 531 CO -0.01 0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.32 1p80 h SER 532 N 0.00 0.00 0.06 -0.43 4.64 -0.87 -2.10 113.55 114.85 1p80 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p80 h SER 532 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1p80 h SER 532 CO 0.00 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 176.14 1p80 n LYS 533 N -2.90 1.47 -2.76 4.77 4.76 -0.41 -4.82 118.16 118.27 1p80 n LYS 533 Ca 0.01 -0.96 -0.42 0.00 -2.87 0.00 0.00 58.31 54.06 1p80 n LYS 533 Cb 0.28 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1p80 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p80 s VAL 534 N -2.19 4.71 0.14 -0.18 1.01 -0.79 -4.60 120.40 118.48 1p80 s VAL 534 Ca 0.31 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.91 1p80 s VAL 534 Cb 0.20 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1p80 s VAL 534 CO 0.41 -0.22 1.43 0.58 0.00 0.00 0.00 175.10 177.30 1p80 h VAL 535 N 5.52 1.27 -3.62 2.92 2.07 -1.87 -3.42 116.25 119.12 1p80 h VAL 535 Ca -0.21 -1.68 -0.58 0.00 0.82 0.00 0.00 66.70 65.04 1p80 h VAL 535 Cb 1.07 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1p80 h VAL 535 CO 0.95 0.55 0.72 -0.13 0.02 0.00 0.00 177.57 179.68 1p80 s ARG 536 N -4.20 3.70 0.41 1.57 0.52 -1.26 -4.94 118.95 114.75 1p80 s ARG 536 Ca -0.11 0.44 0.09 0.00 -0.52 0.00 0.00 55.73 55.63 1p80 s ARG 536 Cb 0.10 -3.88 0.89 0.00 0.52 0.00 0.00 34.95 32.58 1p80 s ARG 536 CO 0.89 -1.20 2.03 -1.35 0.02 0.00 0.00 175.30 175.68 1p80 h PRO 537 N 8.94 0.53 -0.00 3.54 0.11 -1.98 -2.15 132.00 140.98 1p80 h PRO 537 Ca -0.23 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1p80 h PRO 537 Cb 1.07 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1p80 h PRO 537 CO 1.05 0.35 -0.16 0.10 -0.21 0.00 0.00 178.00 179.13 1p80 h TYR 538 N 0.55 0.01 -0.48 0.65 -0.00 -1.97 -1.22 116.97 114.50 1p80 h TYR 538 Ca 0.20 -0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.88 1p80 h TYR 538 Cb 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.84 1p80 h TYR 538 CO -0.00 0.17 0.08 0.82 -0.00 0.00 0.00 178.16 179.23 1p80 h ILE 539 N 0.01 1.25 -0.55 -0.90 2.04 -1.80 -0.82 117.51 116.73 1p80 h ILE 539 Ca -0.00 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1p80 h ILE 539 Cb 0.29 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1p80 h ILE 539 CO 0.02 0.32 0.33 0.03 0.00 0.00 0.00 178.15 178.86 1p80 h ARG 540 N 0.67 0.64 -0.81 2.37 3.08 -1.30 -1.37 114.38 117.66 1p80 h ARG 540 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1p80 h ARG 540 Cb 0.39 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1p80 h ARG 540 CO 0.01 0.42 0.33 0.93 -1.07 0.00 0.00 179.97 180.59 1p80 h GLU 541 N 0.66 1.20 -0.53 0.04 5.08 -1.12 -1.33 114.58 118.57 1p80 h GLU 541 Ca 0.22 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1p80 h GLU 541 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1p80 h GLU 541 CO -0.10 0.96 0.03 0.00 -1.00 0.00 0.00 179.01 178.90 1p80 h ARG 542 N 1.17 0.89 -0.47 2.33 3.08 -0.71 -0.91 114.38 119.76 1p80 h ARG 542 Ca 0.27 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1p80 h ARG 542 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1p80 h ARG 542 CO -0.02 0.86 -0.13 0.28 -1.07 0.00 0.00 179.97 179.89 1p80 h VAL 543 N 0.83 1.27 -0.71 2.04 2.07 -0.90 -2.16 116.25 118.68 1p80 h VAL 543 Ca 0.16 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1p80 h VAL 543 Cb 0.45 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1p80 h VAL 543 CO 0.02 0.43 0.34 0.58 0.02 0.00 0.00 177.57 178.96 1p80 h VAL 544 N 0.76 1.23 -0.86 2.57 2.07 -1.00 -0.47 116.25 120.55 1p80 h VAL 544 Ca 0.12 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1p80 h VAL 544 Cb 0.68 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1p80 h VAL 544 CO 0.05 0.27 0.56 -0.78 0.02 0.00 0.00 177.57 177.69 1p80 h ASP 545 N 1.01 0.93 -0.50 0.57 1.82 -0.96 -1.13 116.42 118.16 1p80 h ASP 545 Ca 0.25 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 1p80 h ASP 545 Cb 0.11 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1p80 h ASP 545 CO -0.03 0.65 -0.07 1.56 -1.61 0.00 0.00 179.24 179.74 1p80 h GLN 546 N 1.10 0.97 -0.20 0.28 1.08 -0.55 -2.54 115.11 115.25 1p80 h GLN 546 Ca 0.34 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1p80 h GLN 546 Cb -0.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1p80 h GLN 546 CO -0.11 1.00 0.03 -0.07 -0.95 0.00 0.00 178.83 178.73 1p80 h LEU 547 N 0.88 0.25 -1.43 1.46 3.38 -0.40 -1.31 115.31 118.14 1p80 h LEU 547 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p80 h LEU 547 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1p80 h LEU 547 CO 0.04 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1p80 h ALA 548 N 1.76 1.00 -0.00 1.53 0.00 -0.79 -0.37 119.26 122.39 1p80 h ALA 548 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p80 h ALA 548 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p80 h ALA 548 CO -0.00 0.00 -0.30 0.72 0.00 0.00 0.00 179.25 179.67 1p80 n HIS 549 N -2.69 0.00 -0.10 0.00 8.25 -0.50 -4.28 115.22 115.90 1p80 n HIS 549 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1p80 n HIS 549 Cb 0.21 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 1p80 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p80 n ILE 550 N -1.35 1.50 -3.64 1.59 5.41 -0.23 -4.20 119.36 118.42 1p80 n ILE 550 Ca 0.08 0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.80 1p80 n ILE 550 Cb 0.33 -2.24 -0.06 0.00 -0.71 0.00 0.00 39.64 36.96 1p80 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p80 s ASP 551 N -6.28 -0.98 0.34 4.38 -1.08 -0.71 -4.60 116.67 107.73 1p80 s ASP 551 Ca -0.29 1.51 0.14 0.00 -0.52 0.00 0.00 52.55 53.38 1p80 s ASP 551 Cb 0.06 1.60 0.59 0.00 -1.46 0.00 0.00 42.92 43.71 1p80 s ASP 551 CO 0.42 -0.23 1.73 -0.07 0.52 0.00 0.00 175.17 177.53 1p80 h LEU 552 N 7.27 0.00 -0.30 -1.34 4.07 -1.80 -1.46 115.31 121.76 1p80 h LEU 552 Ca -0.27 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.62 1p80 h LEU 552 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1p80 h LEU 552 CO 0.15 0.47 -0.10 0.74 -1.08 0.00 0.00 178.44 178.62 1p80 h THR 553 N 0.00 1.29 -0.15 0.22 2.02 -1.97 0.30 112.91 114.62 1p80 h THR 553 Ca -0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1p80 h THR 553 Cb 0.88 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1p80 h THR 553 CO 0.06 0.37 0.08 0.25 0.37 0.00 0.00 175.52 176.66 1p80 h LEU 554 N 0.36 0.18 -0.42 2.58 5.85 -1.89 -1.65 115.31 120.31 1p80 h LEU 554 Ca 0.07 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1p80 h LEU 554 Cb 0.60 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1p80 h LEU 554 CO 0.03 0.19 0.23 0.00 -0.34 0.00 0.00 178.44 178.56 1p80 h ALA 555 N 1.00 0.53 -0.33 1.25 0.00 -1.11 -1.96 119.26 118.64 1p80 h ALA 555 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1p80 h ALA 555 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1p80 h ALA 555 CO -0.01 -0.11 -0.19 1.96 0.00 0.00 0.00 179.25 180.90 1p80 h GLN 556 N 0.47 0.62 -0.35 0.00 4.20 -0.84 -0.14 115.11 119.08 1p80 h GLN 556 Ca 0.17 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1p80 h GLN 556 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1p80 h GLN 556 CO -0.10 0.78 -0.38 0.00 -0.67 0.00 0.00 178.83 178.46 1p80 h ALA 557 N 1.23 0.67 -0.16 3.87 0.00 -0.90 -1.13 119.26 122.85 1p80 h ALA 557 Ca 0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1p80 h ALA 557 Cb 0.64 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1p80 h ALA 557 CO 0.05 0.67 -0.13 0.28 0.00 0.00 0.00 179.25 180.11 1p80 h VAL 558 N 0.68 1.33 -0.80 0.00 2.07 -1.28 -2.98 116.25 115.28 1p80 h VAL 558 Ca 0.06 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.39 1p80 h VAL 558 Cb 0.95 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 1p80 h VAL 558 CO 0.09 0.37 0.46 0.00 0.02 0.00 0.00 177.57 178.51 1p80 h ALA 559 N 0.63 1.11 -0.99 1.67 0.00 -0.88 -1.43 119.26 119.37 1p80 h ALA 559 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1p80 h ALA 559 Cb 0.65 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1p80 h ALA 559 CO 0.03 0.12 0.65 -0.22 0.00 0.00 0.00 179.25 179.83 1p80 h LYS 560 N 0.80 1.32 0.00 0.00 3.64 -1.17 0.57 116.57 121.72 1p80 h LYS 560 Ca 0.37 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1p80 h LYS 560 Cb 0.29 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1p80 h LYS 560 CO -0.22 0.88 0.00 -0.91 -2.27 0.00 0.00 179.45 176.93 1p80 h ASN 561 N 1.35 0.00 -0.02 4.20 2.35 -1.12 -2.81 115.58 119.53 1p80 h ASN 561 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1p80 h ASN 561 Cb -0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1p80 h ASN 561 CO -0.08 0.00 -0.09 0.18 -1.65 0.00 0.00 177.43 175.79 1p80 n LEU 562 N -2.83 2.60 -1.01 1.61 4.77 -0.54 -4.96 117.00 116.63 1p80 n LEU 562 Ca 0.01 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.96 1p80 n LEU 562 Cb 0.29 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1p80 n LEU 562 CO 0.25 0.45 -0.11 0.61 -1.33 0.00 0.00 177.39 177.26 1p80 n GLY 563 N 1.23 0.02 3.65 -0.72 0.00 -0.49 -5.02 105.19 103.86 1p80 n GLY 563 Ca 0.12 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1p80 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 564 N -2.45 4.03 -0.20 -0.61 1.01 0.07 -5.02 121.20 118.04 1p80 s ILE 564 Ca 0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 1p80 s ILE 564 Cb -0.00 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1p80 s ILE 564 CO 0.01 0.47 -0.03 -0.70 0.00 0.00 0.00 174.94 174.68 1p80 s GLU 565 N -1.26 3.52 0.40 2.79 2.56 -1.26 -4.00 118.70 121.45 1p80 s GLU 565 Ca 0.17 -0.57 -0.26 0.00 0.00 0.00 0.00 54.97 54.31 1p80 s GLU 565 Cb -0.11 -2.99 -0.08 0.00 2.00 0.00 0.00 34.13 32.94 1p80 s GLU 565 CO 0.07 -0.01 1.25 -0.51 -0.56 0.00 0.00 175.26 175.49 1p80 s LEU 566 N 1.03 4.21 0.87 2.70 1.43 -1.26 -5.02 118.68 122.64 1p80 s LEU 566 Ca 0.01 2.53 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 1p80 s LEU 566 Cb -0.15 -3.95 0.12 0.00 0.03 0.00 0.00 46.19 42.25 1p80 s LEU 566 CO 0.01 -0.79 1.21 0.42 0.23 0.00 0.00 176.35 177.43 1p80 s THR 567 N -1.32 1.99 0.26 5.49 -4.23 -1.26 -4.87 115.64 111.70 1p80 s THR 567 Ca 0.57 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1p80 s THR 567 Cb -0.35 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1p80 s THR 567 CO 0.45 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.72 1p80 h ASP 568 N -1.30 0.73 -0.43 3.99 5.19 -1.99 -1.49 116.42 121.13 1p80 h ASP 568 Ca -0.46 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 55.75 1p80 h ASP 568 Cb 1.31 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1p80 h ASP 568 CO 0.58 0.82 0.20 0.44 -3.12 0.00 0.00 179.24 178.17 1p80 h ASP 569 N 0.71 0.56 -0.88 6.45 3.45 -1.97 -2.43 116.42 122.31 1p80 h ASP 569 Ca 0.13 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1p80 h ASP 569 Cb 0.48 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 1p80 h ASP 569 CO 0.02 0.53 0.56 1.56 -1.57 0.00 0.00 179.24 180.35 1p80 h GLN 570 N 0.55 1.17 0.00 3.56 4.20 -1.84 -1.37 115.11 121.38 1p80 h GLN 570 Ca 0.15 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1p80 h GLN 570 Cb 0.12 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1p80 h GLN 570 CO -0.02 0.80 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.82 1p80 h LEU 571 N 1.20 0.00 -3.04 1.46 3.38 -1.00 -2.64 115.31 114.67 1p80 h LEU 571 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1p80 h LEU 571 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1p80 h LEU 571 CO -0.06 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.10 1p80 n ASN 572 N -3.26 4.62 -4.71 -0.43 3.02 -0.54 -4.96 115.26 109.00 1p80 n ASN 572 Ca -0.01 -2.33 -0.42 0.00 -0.03 0.00 0.00 54.58 51.79 1p80 n ASN 572 Cb 0.22 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1p80 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p80 s ILE 573 N -1.63 3.53 0.11 2.41 1.01 -1.00 -4.97 121.20 120.66 1p80 s ILE 573 Ca 0.52 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.95 1p80 s ILE 573 Cb 0.32 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 1p80 s ILE 573 CO 0.28 0.08 1.23 -0.89 0.00 0.00 0.00 174.94 175.63 1p80 s THR 574 N 1.11 3.77 0.65 2.92 2.01 -1.26 -4.98 115.64 119.86 1p80 s THR 574 Ca 0.63 1.34 -0.18 0.00 0.31 0.00 0.00 61.69 63.79 1p80 s THR 574 Cb -0.35 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1p80 s THR 574 CO 0.30 0.14 1.26 -2.16 -0.69 0.00 0.00 174.62 173.47 1p80 s PRO 575 N 0.62 2.57 0.74 4.92 0.05 -1.26 -4.97 135.00 137.66 1p80 s PRO 575 Ca 0.57 1.96 -0.13 0.00 0.05 0.00 0.00 61.00 63.45 1p80 s PRO 575 Cb -0.32 -1.86 0.04 0.00 0.05 0.00 0.00 34.50 32.42 1p80 s PRO 575 CO 0.32 -1.56 1.13 -1.25 0.05 0.00 0.00 177.00 175.69 1p80 s PRO 576 N -3.46 2.28 0.85 0.56 0.04 -1.26 -4.99 135.00 129.02 1p80 s PRO 576 Ca 0.80 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1p80 s PRO 576 Cb -0.35 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.42 1p80 s PRO 576 CO 0.39 -1.67 1.14 -2.14 0.04 0.00 0.00 177.00 174.77 1p80 s PRO 577 N -4.32 1.49 0.83 0.56 0.02 -1.26 -4.93 135.00 127.39 1p80 s PRO 577 Ca 0.67 1.50 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 1p80 s PRO 577 Cb -0.22 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.61 1p80 s PRO 577 CO 0.48 -2.28 1.09 -0.51 -0.33 0.00 0.00 177.00 175.46 1p80 s ASP 578 N -2.73 3.96 -0.56 2.53 -0.00 -1.26 -4.68 116.67 113.93 1p80 s ASP 578 Ca 0.67 1.72 -0.20 0.00 -0.00 0.00 0.00 52.55 54.74 1p80 s ASP 578 Cb -0.22 -2.39 0.07 0.00 -0.00 0.00 0.00 42.92 40.38 1p80 s ASP 578 CO 0.55 -2.37 0.72 -0.69 -0.00 0.00 0.00 175.17 173.39 1p80 s VAL 579 N -2.89 4.75 -1.46 -1.27 1.01 -1.19 -4.38 120.40 114.97 1p80 s VAL 579 Ca 0.62 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1p80 s VAL 579 Cb -0.18 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.81 1p80 s VAL 579 CO 0.57 -1.02 0.59 0.59 0.00 0.00 0.00 175.10 175.83 1p80 n ASN 580 N 6.51 -1.45 0.00 3.32 4.13 -1.26 -1.10 115.26 125.41 1p80 n ASN 580 Ca -0.07 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.24 1p80 n ASN 580 Cb 0.44 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 1p80 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p80 n GLY 581 N -1.79 1.72 3.73 7.41 0.00 -1.26 -5.02 105.19 109.98 1p80 n GLY 581 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1p80 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 582 N 0.00 4.45 0.00 0.99 1.43 -0.26 -4.92 118.68 120.38 1p80 s LEU 582 Ca 0.00 1.69 0.18 0.00 -1.03 0.00 0.00 54.13 54.96 1p80 s LEU 582 Cb 0.00 -3.51 0.21 0.00 0.03 0.00 0.00 46.19 42.92 1p80 s LEU 582 CO 0.00 -0.10 1.14 0.29 0.23 0.00 0.00 176.35 177.90 1p80 n LYS 583 N 3.10 1.75 0.00 1.70 5.02 -1.26 -3.17 118.16 125.31 1p80 n LYS 583 Ca 0.02 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 1p80 n LYS 583 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1p80 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p80 n LYS 584 N 1.04 0.00 -3.47 1.97 2.85 -1.26 -4.71 118.16 114.57 1p80 n LYS 584 Ca 0.12 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.19 1p80 n LYS 584 Cb 0.47 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.72 1p80 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p80 s ASP 585 N 0.00 1.59 0.65 -5.58 3.68 -1.26 -5.01 116.67 110.74 1p80 s ASP 585 Ca 0.00 -0.42 0.39 0.00 2.13 0.00 0.00 52.55 54.66 1p80 s ASP 585 Cb 0.00 0.36 2.20 0.00 -1.45 0.00 0.00 42.92 44.03 1p80 s ASP 585 CO 0.00 -0.35 2.30 -0.65 0.13 0.00 0.00 175.17 176.60 1p80 h PRO 586 N 8.31 0.00 0.00 4.34 0.11 -1.98 -1.17 132.00 141.61 1p80 h PRO 586 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1p80 h PRO 586 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1p80 h PRO 586 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 1p80 n SER 587 N -3.28 0.18 -0.02 -2.05 3.41 -1.26 -2.00 113.62 108.61 1p80 n SER 587 Ca -0.03 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1p80 n SER 587 Cb 0.11 -0.59 0.40 0.00 -0.26 0.00 0.00 64.21 63.87 1p80 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p80 n LEU 588 N -1.71 0.37 -4.86 1.04 4.77 -0.44 -4.86 117.00 111.30 1p80 n LEU 588 Ca 0.03 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 1p80 n LEU 588 Cb 0.16 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1p80 n LEU 588 CO 0.14 0.09 0.17 -0.55 -1.33 0.00 0.00 177.39 175.90 1p80 s SER 589 N -2.94 6.69 0.14 -1.43 0.15 -0.85 -4.90 113.70 110.56 1p80 s SER 589 Ca 0.14 0.92 -0.05 0.00 0.70 0.00 0.00 55.95 57.65 1p80 s SER 589 Cb 0.18 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1p80 s SER 589 CO 0.62 0.06 1.36 -0.07 1.20 0.00 0.00 173.24 176.41 1p80 h LEU 590 N 3.22 0.62 -0.18 3.45 3.38 -1.89 -3.39 115.31 120.52 1p80 h LEU 590 Ca -0.48 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1p80 h LEU 590 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1p80 h LEU 590 CO 0.68 1.21 -0.13 -1.22 0.09 0.00 0.00 178.44 179.07 1p80 n TYR 591 N -3.84 0.00 -0.28 1.13 4.01 -1.26 -4.75 117.16 112.17 1p80 n TYR 591 Ca -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1p80 n TYR 591 Cb 0.76 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.90 1p80 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p80 h ALA 592 N 0.49 1.05 -3.07 -0.72 0.00 -1.86 -3.36 119.26 111.80 1p80 h ALA 592 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 1p80 h ALA 592 Cb 0.09 -0.22 -0.27 0.00 0.00 0.00 0.00 17.79 17.38 1p80 h ALA 592 CO 0.00 0.24 -0.60 0.42 0.00 0.00 0.00 179.25 179.31 1p80 s ILE 593 N -6.09 3.93 0.09 0.00 1.01 -1.26 -5.07 121.20 113.81 1p80 s ILE 593 Ca -0.13 -0.97 -0.37 0.00 0.00 0.00 0.00 60.65 59.19 1p80 s ILE 593 Cb 0.17 -3.16 -0.17 0.00 0.01 0.00 0.00 42.46 39.31 1p80 s ILE 593 CO 0.78 -0.10 1.34 -2.65 0.00 0.00 0.00 174.94 174.30 1p80 n PRO 594 N 4.85 1.15 -0.47 2.79 -0.02 -1.26 -4.86 135.00 137.18 1p80 n PRO 594 Ca -0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1p80 n PRO 594 Cb 0.46 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1p80 n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p80 n ASP 595 N 2.51 0.00 -4.70 2.55 3.85 -1.26 -5.13 116.55 114.37 1p80 n ASP 595 Ca 0.18 -1.61 -0.38 0.00 -0.71 0.00 0.00 54.79 52.28 1p80 n ASP 595 Cb 0.19 -0.12 0.05 0.00 -1.35 0.00 0.00 41.12 39.89 1p80 n ASP 595 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p80 n GLY 596 N 0.00 0.38 2.99 6.12 0.00 -1.25 -4.11 105.19 109.32 1p80 n GLY 596 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1p80 n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p80 s ASP 597 N -1.11 0.38 0.15 1.61 3.68 -1.25 -4.95 116.67 115.18 1p80 s ASP 597 Ca 0.75 0.45 0.25 0.00 2.13 0.00 0.00 52.55 56.13 1p80 s ASP 597 Cb -0.42 0.87 0.52 0.00 -1.45 0.00 0.00 42.92 42.44 1p80 s ASP 597 CO 0.47 -0.27 1.49 1.33 0.13 0.00 0.00 175.17 178.32 1p80 n VAL 598 N 5.36 0.44 -1.71 1.11 0.24 -1.26 -4.84 118.33 117.67 1p80 n VAL 598 Ca -0.06 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.34 61.54 1p80 n VAL 598 Cb 0.50 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 1p80 n VAL 598 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1p80 n LYS 599 N -2.16 2.71 0.00 7.34 4.81 -1.24 -1.45 118.16 128.17 1p80 n LYS 599 Ca 0.04 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1p80 n LYS 599 Cb 0.44 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1p80 n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p80 n GLY 600 N 3.96 1.62 3.78 3.14 0.00 -0.07 -4.99 105.19 112.63 1p80 n GLY 600 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1p80 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p80 s ARG 601 N -0.81 0.82 -0.01 1.61 1.81 -0.53 -4.79 118.95 117.06 1p80 s ARG 601 Ca 0.00 0.18 0.01 0.00 -1.72 0.00 0.00 55.73 54.20 1p80 s ARG 601 Cb 0.00 -1.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1p80 s ARG 601 CO 0.00 -2.39 -0.03 0.54 -0.68 0.00 0.00 175.30 172.74 1p80 s VAL 602 N -3.31 0.23 0.01 3.52 0.11 -1.26 -0.81 120.40 118.89 1p80 s VAL 602 Ca 0.66 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.65 1p80 s VAL 602 Cb -0.13 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1p80 s VAL 602 CO 0.54 0.08 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.61 1p80 s VAL 603 N 0.11 3.47 0.03 2.04 1.01 0.12 -0.49 120.40 126.70 1p80 s VAL 603 Ca -0.01 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1p80 s VAL 603 Cb -0.03 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1p80 s VAL 603 CO -0.00 0.40 0.51 0.00 0.00 0.00 0.00 175.10 176.00 1p80 s ALA 604 N -0.97 3.61 -0.25 5.51 0.00 -0.42 -1.42 121.76 127.83 1p80 s ALA 604 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1p80 s ALA 604 Cb -0.11 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.51 1p80 s ALA 604 CO 0.07 0.39 -0.12 0.42 0.00 0.00 0.00 175.76 176.52 1p80 s ILE 605 N -0.92 2.21 -0.51 0.00 1.01 -0.14 -0.23 121.20 122.62 1p80 s ILE 605 Ca 0.27 -1.50 -0.26 0.00 0.00 0.00 0.00 60.65 59.16 1p80 s ILE 605 Cb -0.18 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1p80 s ILE 605 CO 0.16 0.06 0.98 -0.76 0.00 0.00 0.00 174.94 175.39 1p80 s LEU 606 N 1.14 3.94 0.80 2.97 1.43 -0.59 -1.47 118.68 126.90 1p80 s LEU 606 Ca -0.06 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1p80 s LEU 606 Cb -0.19 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.04 1p80 s LEU 606 CO -0.06 -1.19 1.17 -0.76 0.23 0.00 0.00 176.35 175.73 1p80 s LEU 607 N 4.05 2.53 0.30 1.79 1.43 0.04 -4.22 118.68 124.59 1p80 s LEU 607 Ca 0.36 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1p80 s LEU 607 Cb -0.10 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1p80 s LEU 607 CO 0.24 -1.87 0.17 0.54 0.23 0.00 0.00 176.35 175.65 1p80 s ASN 608 N -4.53 1.42 0.00 2.29 2.20 -1.26 -4.82 114.94 110.24 1p80 s ASN 608 Ca 0.62 -1.56 0.24 0.00 -0.94 0.00 0.00 52.86 51.22 1p80 s ASN 608 Cb -0.11 0.39 1.43 0.00 -2.00 0.00 0.00 41.25 40.96 1p80 s ASN 608 CO 0.50 -0.89 1.85 -0.90 -2.94 0.00 0.00 177.10 174.71 1p80 n ASP 609 N -0.92 0.00 -2.87 3.54 3.85 -1.26 -3.69 116.55 115.20 1p80 n ASP 609 Ca 0.02 -1.00 -0.12 0.00 -0.71 0.00 0.00 54.79 52.98 1p80 n ASP 609 Cb 0.65 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.45 1p80 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p80 n GLU 610 N -0.93 1.07 -1.66 0.11 4.07 -1.26 -4.38 120.64 117.66 1p80 n GLU 610 Ca 0.18 -2.87 -0.43 0.00 -0.06 0.00 0.00 57.16 53.98 1p80 n GLU 610 Cb 0.08 -1.21 -0.01 0.00 -0.06 0.00 0.00 31.44 30.25 1p80 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1p80 n VAL 611 N 0.06 2.04 -2.44 6.31 0.31 -1.24 -3.28 118.33 120.08 1p80 n VAL 611 Ca 0.13 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1p80 n VAL 611 Cb 0.75 -1.36 -0.02 0.00 -0.91 0.00 0.00 33.84 32.29 1p80 n VAL 611 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1p80 s ARG 612 N -1.79 3.44 0.56 5.55 3.52 -0.54 -0.90 118.95 128.80 1p80 s ARG 612 Ca 0.57 0.52 0.29 0.00 -0.13 0.00 0.00 55.73 56.97 1p80 s ARG 612 Cb -0.61 -4.06 1.68 0.00 -1.56 0.00 0.00 34.95 30.39 1p80 s ARG 612 CO 0.61 -1.76 2.19 0.66 -0.81 0.00 0.00 175.30 176.18 1p80 h SER 613 N 10.52 0.00 -0.14 -2.12 4.64 -1.90 -1.18 113.55 123.37 1p80 h SER 613 Ca -0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.94 1p80 h SER 613 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1p80 h SER 613 CO 1.16 0.05 -0.30 0.00 -0.87 0.00 0.00 176.83 176.87 1p80 h ALA 614 N 1.95 0.92 -0.14 5.18 0.00 -1.99 -0.09 119.26 125.09 1p80 h ALA 614 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1p80 h ALA 614 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p80 h ALA 614 CO 0.01 0.62 -0.02 -0.44 0.00 0.00 0.00 179.25 179.42 1p80 h ASP 615 N 0.54 0.25 -0.49 0.00 3.45 -1.50 -2.87 116.42 115.81 1p80 h ASP 615 Ca 0.07 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1p80 h ASP 615 Cb 0.78 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.46 1p80 h ASP 615 CO 0.06 0.53 0.32 0.25 -1.57 0.00 0.00 179.24 178.84 1p80 h LEU 616 N -0.03 0.56 -0.36 1.55 5.85 -1.26 -0.36 115.31 121.26 1p80 h LEU 616 Ca 0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1p80 h LEU 616 Cb 0.41 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1p80 h LEU 616 CO 0.01 0.41 -0.08 0.25 -0.34 0.00 0.00 178.44 178.69 1p80 h LEU 617 N 0.66 -0.32 -0.58 2.25 5.85 -1.07 0.24 115.31 122.35 1p80 h LEU 617 Ca 0.18 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1p80 h LEU 617 Cb -0.07 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1p80 h LEU 617 CO -0.04 -0.11 0.01 0.00 -0.34 0.00 0.00 178.44 177.97 1p80 h ALA 618 N 1.36 0.78 0.47 1.25 0.00 -1.22 -2.16 119.26 119.74 1p80 h ALA 618 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1p80 h ALA 618 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p80 h ALA 618 CO -0.36 0.60 -0.23 0.82 0.00 0.00 0.00 179.25 180.08 1p80 h ILE 619 N 0.90 0.54 -0.39 0.00 2.04 -0.41 -2.49 117.51 117.69 1p80 h ILE 619 Ca 0.17 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1p80 h ILE 619 Cb 0.53 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1p80 h ILE 619 CO 0.03 0.02 0.10 -0.07 0.00 0.00 0.00 178.15 178.22 1p80 h LEU 620 N -0.69 0.53 -0.40 1.44 3.38 -0.97 -1.37 115.31 117.23 1p80 h LEU 620 Ca -0.06 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1p80 h LEU 620 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1p80 h LEU 620 CO 0.11 0.54 0.04 0.50 0.09 0.00 0.00 178.44 179.71 1p80 h LYS 621 N 0.57 0.68 -0.28 1.13 3.64 -1.38 -0.17 116.57 120.77 1p80 h LYS 621 Ca 0.13 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1p80 h LYS 621 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1p80 h LYS 621 CO -0.00 0.75 -0.41 0.00 -2.27 0.00 0.00 179.45 177.51 1p80 h ALA 622 N 0.91 0.75 -0.55 5.00 0.00 -0.99 -2.39 119.26 121.98 1p80 h ALA 622 Ca 0.12 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1p80 h ALA 622 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1p80 h ALA 622 CO 0.01 0.66 0.06 -0.07 0.00 0.00 0.00 179.25 179.92 1p80 h LEU 623 N 0.55 0.90 -0.96 0.00 3.38 -1.17 -3.10 115.31 114.92 1p80 h LEU 623 Ca 0.04 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1p80 h LEU 623 Cb 0.95 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1p80 h LEU 623 CO 0.09 0.95 0.62 0.50 0.09 0.00 0.00 178.44 180.69 1p80 h LYS 624 N 0.82 1.27 0.00 1.13 3.64 -0.91 -0.41 116.57 122.11 1p80 h LYS 624 Ca 0.16 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1p80 h LYS 624 Cb 0.45 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1p80 h LYS 624 CO 0.02 0.85 -0.04 0.00 -2.27 0.00 0.00 179.45 178.01 1p80 h ALA 625 N 1.34 1.11 -0.18 5.00 0.00 -1.35 -2.28 119.26 122.90 1p80 h ALA 625 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p80 h ALA 625 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p80 h ALA 625 CO -0.07 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.86 1p80 n LYS 626 N -3.30 1.68 -2.11 0.00 4.76 -0.65 -4.98 118.16 113.57 1p80 n LYS 626 Ca -0.02 -1.67 -0.09 0.00 -2.87 0.00 0.00 58.31 53.67 1p80 n LYS 626 Cb 0.19 -1.29 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1p80 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p80 n GLY 627 N 0.77 0.07 3.75 0.72 0.00 -0.62 -3.67 105.19 106.20 1p80 n GLY 627 Ca 0.11 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1p80 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 628 N -2.44 5.28 0.54 1.61 1.01 -0.26 -0.90 120.40 125.25 1p80 s VAL 628 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1p80 s VAL 628 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1p80 s VAL 628 CO 0.00 0.41 0.85 -1.00 0.00 0.00 0.00 175.10 175.36 1p80 s HIS 629 N 0.26 3.38 0.08 5.22 3.76 0.01 -4.23 115.29 123.78 1p80 s HIS 629 Ca 0.18 0.70 0.06 0.00 -0.15 0.00 0.00 55.06 55.85 1p80 s HIS 629 Cb -0.13 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 1p80 s HIS 629 CO 0.05 -0.60 -0.16 0.00 -0.85 0.00 0.00 174.74 173.19 1p80 s ALA 630 N -2.88 1.35 -0.11 -1.40 0.00 -1.26 -0.70 121.76 116.76 1p80 s ALA 630 Ca 0.51 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1p80 s ALA 630 Cb -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1p80 s ALA 630 CO 0.45 0.21 -0.09 -1.59 0.00 0.00 0.00 175.76 174.74 1p80 s LYS 631 N -1.83 1.59 -0.31 0.00 -2.85 -0.51 -4.92 119.74 110.92 1p80 s LYS 631 Ca 0.01 -0.30 -0.21 0.00 -1.00 0.00 0.00 55.97 54.47 1p80 s LYS 631 Cb -0.10 -1.57 -0.01 0.00 -2.06 0.00 0.00 37.83 34.09 1p80 s LYS 631 CO 0.03 -0.21 0.67 -0.51 0.10 0.00 0.00 175.35 175.43 1p80 s LEU 632 N 1.49 4.14 0.09 2.77 1.43 -1.26 -0.97 118.68 126.38 1p80 s LEU 632 Ca 0.01 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 1p80 s LEU 632 Cb -0.13 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1p80 s LEU 632 CO -0.06 -0.52 -0.07 -0.76 0.23 0.00 0.00 176.35 175.17 1p80 s LEU 633 N 2.70 3.18 0.00 1.79 1.43 -0.54 -0.55 118.68 126.68 1p80 s LEU 633 Ca 0.27 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1p80 s LEU 633 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1p80 s LEU 633 CO 0.12 0.18 0.38 0.00 0.23 0.00 0.00 176.35 177.26 1p80 n TYR 634 N 0.72 -1.22 1.36 0.29 9.36 -1.03 -0.78 117.16 125.86 1p80 n TYR 634 Ca -0.13 -1.79 0.14 0.00 3.32 0.00 0.00 57.90 59.45 1p80 n TYR 634 Cb 0.52 0.42 0.64 0.00 -0.63 0.00 0.00 39.34 40.29 1p80 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p80 n SER 635 N -1.74 0.29 -3.97 2.98 3.41 -1.26 -1.72 113.62 111.61 1p80 n SER 635 Ca 0.00 -0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.17 1p80 n SER 635 Cb 0.45 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1p80 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 s ARG 636 N -2.57 1.56 0.60 4.33 1.70 -1.26 -4.89 118.95 118.42 1p80 s ARG 636 Ca 0.27 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.26 1p80 s ARG 636 Cb 0.20 0.47 0.12 0.00 -0.57 0.00 0.00 34.95 35.17 1p80 s ARG 636 CO 0.49 -0.65 0.83 -1.33 -1.08 0.00 0.00 175.30 173.55 1p80 n MET 637 N -0.39 -0.02 0.00 3.89 2.81 -1.26 -4.73 117.12 117.42 1p80 n MET 637 Ca -0.02 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 1p80 n MET 637 Cb 0.62 -0.57 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 1p80 n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p80 n GLY 638 N -1.30 0.88 3.19 3.03 0.00 -1.26 -4.96 105.19 104.76 1p80 n GLY 638 Ca 0.13 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1p80 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p80 s GLU 639 N 0.00 0.89 0.10 1.61 2.02 -1.26 -1.19 118.70 120.86 1p80 s GLU 639 Ca 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 54.97 53.66 1p80 s GLU 639 Cb 0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1p80 s GLU 639 CO 0.00 -0.01 -0.11 0.14 0.02 0.00 0.00 175.26 175.30 1p80 s VAL 640 N -3.58 1.02 -0.15 2.63 -7.23 -0.80 -4.98 120.40 107.31 1p80 s VAL 640 Ca 0.13 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1p80 s VAL 640 Cb 0.05 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 1p80 s VAL 640 CO -0.03 -0.50 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.28 1p80 s THR 641 N -2.26 3.41 1.08 5.32 2.01 -1.26 -0.99 115.64 122.94 1p80 s THR 641 Ca 0.05 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 1p80 s THR 641 Cb -0.04 -2.47 0.23 0.00 0.01 0.00 0.00 72.50 70.23 1p80 s THR 641 CO 0.01 0.51 1.13 0.00 -0.69 0.00 0.00 174.62 175.57 1p80 s ALA 642 N 0.43 1.00 0.51 7.40 0.00 0.04 -4.27 121.76 126.86 1p80 s ALA 642 Ca -0.07 -0.73 0.40 0.00 0.00 0.00 0.00 51.96 51.56 1p80 s ALA 642 Cb -0.15 -2.97 2.06 0.00 0.00 0.00 0.00 23.12 22.06 1p80 s ALA 642 CO 0.04 -3.08 2.25 0.38 0.00 0.00 0.00 175.76 175.35 1p80 h ASP 643 N -2.14 0.00 -0.69 0.00 3.04 -1.23 -2.12 116.42 113.29 1p80 h ASP 643 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 1p80 h ASP 643 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1p80 h ASP 643 CO 0.46 0.01 0.00 -0.90 -2.04 0.00 0.00 179.24 176.77 1p80 n ASP 644 N -3.19 3.95 0.00 4.15 3.85 -1.26 -4.96 116.55 119.09 1p80 n ASP 644 Ca -0.02 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 1p80 n ASP 644 Cb 0.14 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 1p80 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p80 n GLY 645 N 1.47 0.94 3.72 6.12 0.00 -0.80 -5.04 105.19 111.61 1p80 n GLY 645 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1p80 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p80 s THR 646 N -2.37 2.24 -0.16 2.61 2.01 -1.26 -4.70 115.64 114.00 1p80 s THR 646 Ca 0.00 0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1p80 s THR 646 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1p80 s THR 646 CO 0.00 0.01 0.54 -0.69 -0.69 0.00 0.00 174.62 173.79 1p80 s VAL 647 N 1.23 5.11 -0.31 3.82 1.01 -1.26 -0.78 120.40 129.22 1p80 s VAL 647 Ca 0.73 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 1p80 s VAL 647 Cb -0.48 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1p80 s VAL 647 CO 0.32 0.22 0.03 -0.76 0.00 0.00 0.00 175.10 174.91 1p80 s LEU 648 N 1.31 4.03 0.39 3.92 1.43 -0.16 -4.99 118.68 124.61 1p80 s LEU 648 Ca 0.27 -1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 51.89 1p80 s LEU 648 Cb -0.16 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 1p80 s LEU 648 CO 0.11 -0.28 1.24 -2.16 0.23 0.00 0.00 176.35 175.48 1p80 s PRO 649 N 1.31 4.05 -0.18 1.29 0.04 -1.26 -1.91 135.00 138.33 1p80 s PRO 649 Ca -0.04 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 1p80 s PRO 649 Cb -0.20 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1p80 s PRO 649 CO 0.00 -0.38 0.39 0.42 0.04 0.00 0.00 177.00 177.48 1p80 s ILE 650 N -1.31 5.22 0.09 0.56 1.01 -0.34 -4.83 121.20 121.60 1p80 s ILE 650 Ca 0.56 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 1p80 s ILE 650 Cb -0.35 -3.73 -0.21 0.00 0.01 0.00 0.00 42.46 38.19 1p80 s ILE 650 CO 0.44 0.29 1.24 0.00 0.00 0.00 0.00 174.94 176.91 1p80 h ALA 651 N 7.14 0.21 -2.63 9.38 0.00 -1.16 -3.41 119.26 128.79 1p80 h ALA 651 Ca -0.38 -0.68 0.11 0.00 0.00 0.00 0.00 54.91 53.97 1p80 h ALA 651 Cb 1.16 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1p80 h ALA 651 CO 0.73 0.70 0.37 0.00 0.00 0.00 0.00 179.25 181.06 1p80 s ALA 652 N -3.41 -1.52 0.65 0.00 0.00 -1.23 -5.04 121.76 111.21 1p80 s ALA 652 Ca -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1p80 s ALA 652 Cb 0.08 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.96 1p80 s ALA 652 CO 0.91 -0.98 0.94 0.95 0.00 0.00 0.00 175.76 177.59 1p80 s THR 653 N -3.53 2.56 0.23 0.00 -4.23 -1.26 -2.46 115.64 106.95 1p80 s THR 653 Ca 0.10 -0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1p80 s THR 653 Cb -0.03 -3.07 0.19 0.00 1.34 0.00 0.00 72.50 70.93 1p80 s THR 653 CO 0.01 -0.06 1.83 -0.26 -0.54 0.00 0.00 174.62 175.59 1p80 h PHE 654 N -0.38 0.85 0.00 3.99 0.05 -1.66 -1.69 116.94 118.10 1p80 h PHE 654 Ca -0.44 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.21 1p80 h PHE 654 Cb 1.30 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.96 1p80 h PHE 654 CO 0.36 0.41 -0.78 0.00 -0.18 0.00 0.00 178.31 178.12 1p80 h ALA 655 N 1.39 0.68 0.00 2.45 0.00 -1.90 -3.30 119.26 118.59 1p80 h ALA 655 Ca 0.35 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1p80 h ALA 655 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1p80 h ALA 655 CO -0.19 0.98 -0.51 0.78 0.00 0.00 0.00 179.25 180.31 1p80 h GLY 656 N 2.43 0.00 -6.37 0.00 0.00 -1.70 -3.34 103.07 94.08 1p80 h GLY 656 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.73 1p80 h GLY 656 CO 0.10 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.71 1p80 n ALA 657 N -2.44 2.91 -0.66 3.60 0.00 -0.81 -4.86 120.51 118.25 1p80 n ALA 657 Ca -0.01 -3.45 -0.31 0.00 0.00 0.00 0.00 53.44 49.66 1p80 n ALA 657 Cb 0.52 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 19.34 1p80 n ALA 657 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1p80 n PRO 658 N 2.30 -1.02 0.18 0.00 -0.04 -1.24 -4.84 135.00 130.35 1p80 n PRO 658 Ca 0.27 -0.25 0.16 0.00 -0.04 0.00 0.00 63.50 63.64 1p80 n PRO 658 Cb 0.47 -2.10 0.79 0.00 -0.04 0.00 0.00 33.50 32.61 1p80 n PRO 658 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p80 h SER 659 N -2.01 0.00 -1.18 3.54 4.64 -1.85 -1.85 113.55 114.84 1p80 h SER 659 Ca -0.49 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.17 1p80 h SER 659 Cb 1.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.30 1p80 h SER 659 CO 0.41 0.00 0.79 -0.07 -0.87 0.00 0.00 176.83 177.08 1p80 h LEU 660 N 0.00 0.28 -0.81 5.97 3.38 -1.94 -2.04 115.31 120.15 1p80 h LEU 660 Ca 0.10 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p80 h LEU 660 Cb 0.49 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1p80 h LEU 660 CO -0.00 -0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1p80 n THR 661 N -4.53 0.04 -4.48 0.22 -2.24 -0.69 -4.92 114.28 97.68 1p80 n THR 661 Ca 0.29 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 1p80 n THR 661 Cb 1.15 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 1p80 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 662 N -1.96 1.54 -0.41 2.28 -7.23 -0.77 -4.95 120.40 108.91 1p80 s VAL 662 Ca 0.38 -2.05 0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1p80 s VAL 662 Cb 0.20 -2.71 -0.26 0.00 0.56 0.00 0.00 36.38 34.17 1p80 s VAL 662 CO 0.32 -0.11 0.70 0.47 -0.31 0.00 0.00 175.10 176.17 1p80 n ASP 663 N -0.71 0.42 -3.59 4.85 9.92 0.36 -5.01 116.55 122.79 1p80 n ASP 663 Ca -0.04 -0.31 -0.08 0.00 -0.53 0.00 0.00 54.79 53.83 1p80 n ASP 663 Cb 0.65 1.47 -0.02 0.00 -0.64 0.00 0.00 41.12 42.59 1p80 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p80 s ALA 664 N -3.31 -1.68 -0.04 2.24 0.00 -1.23 -4.27 121.76 113.47 1p80 s ALA 664 Ca -0.01 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1p80 s ALA 664 Cb 0.14 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1p80 s ALA 664 CO 0.88 -0.83 -0.11 0.08 0.00 0.00 0.00 175.76 175.78 1p80 s VAL 665 N -3.35 0.97 -0.06 0.00 1.01 -0.78 -1.30 120.40 116.88 1p80 s VAL 665 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1p80 s VAL 665 Cb -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1p80 s VAL 665 CO -0.05 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.53 1p80 s ILE 666 N 0.25 1.58 -0.29 2.22 1.01 0.68 -0.88 121.20 125.77 1p80 s ILE 666 Ca -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1p80 s ILE 666 Cb -0.10 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.06 1p80 s ILE 666 CO 0.01 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.66 1p80 s VAL 667 N 0.22 2.29 0.79 2.92 1.01 0.10 -1.54 120.40 126.18 1p80 s VAL 667 Ca -0.09 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 59.96 1p80 s VAL 667 Cb -0.14 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1p80 s VAL 667 CO 0.04 -0.20 1.09 -2.16 0.00 0.00 0.00 175.10 173.87 1p80 s PRO 668 N 1.06 2.17 0.73 2.72 0.04 -1.26 -1.70 135.00 138.76 1p80 s PRO 668 Ca -0.03 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 1p80 s PRO 668 Cb -0.20 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.58 1p80 s PRO 668 CO -0.05 -1.58 0.99 0.00 0.04 0.00 0.00 177.00 176.40 1p80 n GLY 670 N -1.76 0.36 3.44 0.00 0.00 -1.26 -1.46 105.19 104.50 1p80 n GLY 670 Ca 0.13 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 1p80 n GLY 670 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p80 n ASN 671 N 0.00 5.13 0.23 1.61 5.15 -1.21 -4.82 115.26 121.36 1p80 n ASN 671 Ca 0.00 -2.97 0.06 0.00 -0.60 0.00 0.00 54.58 51.07 1p80 n ASN 671 Cb 0.00 -1.61 0.55 0.00 -0.53 0.00 0.00 39.78 38.19 1p80 n ASN 671 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1p80 h ILE 672 N 4.77 1.06 -0.89 -1.44 1.08 -1.93 -1.95 117.51 118.21 1p80 h ILE 672 Ca 0.36 -0.51 0.24 0.00 -0.39 0.00 0.00 64.86 64.56 1p80 h ILE 672 Cb 0.85 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.83 1p80 h ILE 672 CO 1.33 0.14 0.62 0.00 -0.69 0.00 0.00 178.15 179.55 1p80 h ALA 673 N 1.85 2.62 -0.93 1.87 0.00 -1.97 0.32 119.26 123.03 1p80 h ALA 673 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p80 h ALA 673 Cb 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1p80 h ALA 673 CO 0.02 -0.88 0.60 0.22 0.00 0.00 0.00 179.25 179.20 1p80 h ASP 674 N 0.14 0.98 -0.00 0.00 -0.00 -1.77 -3.27 116.42 112.50 1p80 h ASP 674 Ca 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.47 1p80 h ASP 674 Cb 1.51 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 40.63 1p80 h ASP 674 CO -0.07 0.66 -0.08 2.30 -0.00 0.00 0.00 179.24 182.05 1p80 n ILE 675 N -4.52 0.00 -0.21 2.25 -5.35 -0.32 -4.75 119.36 106.46 1p80 n ILE 675 Ca 0.13 -0.46 0.11 0.00 -0.27 0.00 0.00 62.75 62.26 1p80 n ILE 675 Cb 0.12 1.07 0.41 0.00 -1.74 0.00 0.00 39.64 39.50 1p80 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p80 h ALA 676 N 0.92 1.87 -0.57 -1.28 0.00 -0.48 -1.52 119.26 118.20 1p80 h ALA 676 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 676 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p80 h ALA 676 CO 0.00 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.93 1p80 n ASP 677 N -4.51 4.10 -4.64 0.00 8.00 -1.26 -4.91 116.55 113.32 1p80 n ASP 677 Ca 0.14 -2.30 -0.43 0.00 0.71 0.00 0.00 54.79 52.92 1p80 n ASP 677 Cb 0.41 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1p80 n ASP 677 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1p80 s ASN 678 N -1.05 6.90 0.16 -2.24 3.84 -0.57 -4.94 114.94 117.04 1p80 s ASN 678 Ca 0.44 1.22 -0.16 0.00 0.21 0.00 0.00 52.86 54.56 1p80 s ASN 678 Cb 0.27 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.52 1p80 s ASN 678 CO 0.23 -0.88 1.70 1.23 -2.79 0.00 0.00 177.10 176.59 1p80 h GLY 679 N 10.14 0.38 1.31 1.21 0.00 -1.92 -1.85 103.07 112.34 1p80 h GLY 679 Ca -0.22 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1p80 h GLY 679 CO 1.02 -0.09 0.17 -0.55 0.00 0.00 0.00 176.54 177.09 1p80 h ASP 680 N 0.11 0.81 -0.45 0.19 3.45 -1.96 0.26 116.42 118.82 1p80 h ASP 680 Ca 0.19 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 1p80 h ASP 680 Cb 0.26 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1p80 h ASP 680 CO -0.31 0.77 -0.02 0.00 -1.57 0.00 0.00 179.24 178.11 1p80 h ALA 681 N 1.34 0.61 -0.41 3.45 0.00 -1.75 -0.79 119.26 121.72 1p80 h ALA 681 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1p80 h ALA 681 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p80 h ALA 681 CO -0.01 0.43 -0.07 -0.91 0.00 0.00 0.00 179.25 178.69 1p80 h ASN 682 N 0.66 0.76 0.16 0.00 2.35 -1.18 -2.94 115.58 115.39 1p80 h ASN 682 Ca 0.13 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 1p80 h ASN 682 Cb 0.53 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1p80 h ASN 682 CO 0.03 0.93 -0.22 0.22 -1.65 0.00 0.00 177.43 176.74 1p80 h TYR 683 N 0.58 0.12 -0.72 1.19 5.03 -0.84 -2.07 116.97 120.27 1p80 h TYR 683 Ca 0.11 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.45 1p80 h TYR 683 Cb 0.58 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.77 1p80 h TYR 683 CO 0.05 0.33 0.42 -0.92 -1.32 0.00 0.00 178.16 176.72 1p80 h TYR 684 N 0.10 0.78 -0.09 -3.82 5.03 -0.97 0.15 116.97 118.16 1p80 h TYR 684 Ca 0.02 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.16 1p80 h TYR 684 Cb 0.45 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 1p80 h TYR 684 CO 0.00 0.40 -0.74 -0.07 -1.32 0.00 0.00 178.16 176.42 1p80 h LEU 685 N 0.79 0.56 -0.53 2.82 3.38 -1.31 -2.28 115.31 118.74 1p80 h LEU 685 Ca 0.31 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1p80 h LEU 685 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1p80 h LEU 685 CO -0.17 1.12 0.09 0.24 0.09 0.00 0.00 178.44 179.82 1p80 h MET 686 N 0.32 0.87 -0.29 1.13 2.86 -0.63 0.59 114.93 119.77 1p80 h MET 686 Ca -0.04 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1p80 h MET 686 Cb 1.33 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1p80 h MET 686 CO 0.13 0.85 0.05 1.49 1.06 0.00 0.00 176.91 180.49 1p80 h GLU 687 N 0.76 0.48 -0.88 1.72 4.81 -0.75 -0.69 114.58 120.02 1p80 h GLU 687 Ca 0.16 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1p80 h GLU 687 Cb 0.39 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1p80 h GLU 687 CO 0.01 0.58 0.49 0.00 -0.73 0.00 0.00 179.01 179.36 1p80 h ALA 688 N 0.87 1.20 -0.03 2.92 0.00 -1.25 -1.34 119.26 121.63 1p80 h ALA 688 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1p80 h ALA 688 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p80 h ALA 688 CO 0.01 0.65 0.00 -0.92 0.00 0.00 0.00 179.25 178.99 1p80 h TYR 689 N 1.23 0.06 -0.82 0.00 3.20 -0.75 -0.91 116.97 118.99 1p80 h TYR 689 Ca 0.31 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.25 1p80 h TYR 689 Cb 0.01 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 1p80 h TYR 689 CO 0.01 0.32 0.48 -0.22 -1.64 0.00 0.00 178.16 177.11 1p80 h LYS 690 N -0.21 0.82 -0.66 1.82 3.64 -0.87 -1.90 116.57 119.21 1p80 h LYS 690 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1p80 h LYS 690 Cb 0.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1p80 h LYS 690 CO 0.00 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.44 1p80 n HIS 691 N -4.71 0.31 -1.90 1.91 8.25 -0.53 -4.89 115.22 113.66 1p80 n HIS 691 Ca 0.13 -0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1p80 n HIS 691 Cb 0.24 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1p80 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p80 n LEU 692 N 0.04 -1.36 -4.84 2.41 4.77 -0.71 -4.90 117.00 112.41 1p80 n LEU 692 Ca 0.05 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.81 1p80 n LEU 692 Cb 0.32 -2.07 -0.06 0.00 -2.33 0.00 0.00 43.42 39.27 1p80 n LEU 692 CO 0.05 -0.38 0.29 -0.54 -1.33 0.00 0.00 177.39 175.47 1p80 s LYS 693 N -4.04 4.05 0.33 3.23 1.02 -0.37 -0.20 119.74 123.75 1p80 s LYS 693 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1p80 s LYS 693 Cb 0.00 -2.90 -0.11 0.00 -0.52 0.00 0.00 37.83 34.30 1p80 s LYS 693 CO 0.00 0.44 1.56 -2.14 -0.92 0.00 0.00 175.35 174.29 1p80 s PRO 694 N -2.01 4.10 -0.05 -1.68 0.02 -1.26 -4.59 135.00 129.53 1p80 s PRO 694 Ca 0.40 2.60 0.03 0.00 0.02 0.00 0.00 61.00 64.04 1p80 s PRO 694 Cb -0.15 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1p80 s PRO 694 CO 0.20 -0.61 -0.13 0.42 -0.33 0.00 0.00 177.00 176.55 1p80 s ILE 695 N -0.48 1.14 -0.10 2.83 1.01 -1.10 -1.87 121.20 122.64 1p80 s ILE 695 Ca 0.59 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1p80 s ILE 695 Cb -0.48 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1p80 s ILE 695 CO 0.55 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.68 1p80 s ALA 696 N 0.38 1.63 -0.13 9.38 0.00 -0.06 -0.85 121.76 132.11 1p80 s ALA 696 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1p80 s ALA 696 Cb -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1p80 s ALA 696 CO 0.03 -0.01 -0.16 -0.51 0.00 0.00 0.00 175.76 175.10 1p80 s LEU 697 N 0.87 1.81 0.02 0.00 1.43 0.46 -0.72 118.68 122.55 1p80 s LEU 697 Ca -0.09 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1p80 s LEU 697 Cb -0.15 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1p80 s LEU 697 CO 0.00 0.00 -0.09 0.00 0.23 0.00 0.00 176.35 176.50 1p80 s ALA 698 N 1.13 2.92 0.00 4.21 0.00 -0.69 -3.07 121.76 126.26 1p80 s ALA 698 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1p80 s ALA 698 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1p80 s ALA 698 CO -0.05 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1p80 n GLY 699 N 1.44 3.20 0.05 0.00 0.00 -0.36 -0.96 105.19 108.57 1p80 n GLY 699 Ca -0.15 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1p80 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 700 N 3.52 0.22 0.30 1.61 8.00 -1.26 -1.95 116.55 126.98 1p80 n ASP 700 Ca 0.00 0.58 0.19 0.00 0.71 0.00 0.00 54.79 56.27 1p80 n ASP 700 Cb 0.00 -0.62 0.90 0.00 -0.02 0.00 0.00 41.12 41.38 1p80 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p80 h ALA 701 N 2.17 1.00 0.00 2.24 0.00 -1.32 -2.28 119.26 121.07 1p80 h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 701 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p80 h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p80 n ARG 702 N -3.03 0.14 0.19 0.00 1.74 -0.82 -1.38 116.66 113.50 1p80 n ARG 702 Ca -0.01 0.55 0.14 0.00 -0.77 0.00 0.00 57.85 57.76 1p80 n ARG 702 Cb 0.20 -1.89 0.62 0.00 -1.02 0.00 0.00 32.46 30.38 1p80 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p80 h LYS 703 N 0.00 0.00 0.00 5.56 1.79 -1.66 -2.29 116.57 119.97 1p80 h LYS 703 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1p80 h LYS 703 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1p80 h LYS 703 CO 0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 1p80 n PHE 704 N -2.52 0.21 -0.04 -1.35 3.01 -0.48 -3.30 117.46 112.99 1p80 n PHE 704 Ca 0.01 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.67 1p80 n PHE 704 Cb 0.20 -0.62 0.54 0.00 -0.01 0.00 0.00 39.48 39.58 1p80 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p80 h LYS 705 N 0.00 0.31 -0.57 -1.08 1.57 -1.61 -1.72 116.57 113.48 1p80 h LYS 705 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1p80 h LYS 705 Cb 0.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1p80 h LYS 705 CO 0.00 0.21 0.31 0.00 -0.57 0.00 0.00 179.45 179.40 1p80 h ALA 706 N 1.73 1.48 -0.24 3.86 0.00 -1.80 -2.91 119.26 121.38 1p80 h ALA 706 Ca 0.25 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1p80 h ALA 706 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1p80 h ALA 706 CO -0.06 0.43 -0.34 1.15 0.00 0.00 0.00 179.25 180.43 1p80 h THR 707 N 0.78 1.29 -0.71 0.00 2.02 -1.56 -2.11 112.91 112.63 1p80 h THR 707 Ca 0.20 -1.45 -0.33 0.00 0.77 0.00 0.00 66.41 65.60 1p80 h THR 707 Cb 0.02 1.48 -0.20 0.00 -1.74 0.00 0.00 68.15 67.72 1p80 h THR 707 CO -0.03 0.46 0.42 2.30 0.37 0.00 0.00 175.52 179.03 1p80 n ILE 708 N -4.06 2.60 -2.55 3.11 -5.35 -1.15 -4.92 119.36 107.03 1p80 n ILE 708 Ca -0.01 -1.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 1p80 n ILE 708 Cb 0.47 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1p80 n ILE 708 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1p80 n LYS 709 N -0.55 -0.73 -3.64 6.28 3.00 -0.79 -4.81 118.16 116.92 1p80 n LYS 709 Ca 0.42 -0.36 -0.10 0.00 -0.00 0.00 0.00 58.31 58.27 1p80 n LYS 709 Cb 1.33 0.65 -0.07 0.00 0.00 0.00 0.00 35.03 36.94 1p80 n LYS 709 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1p80 s ILE 710 N -3.41 0.00 0.58 3.15 1.10 -1.22 -5.06 121.20 116.34 1p80 s ILE 710 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1p80 s ILE 710 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1p80 s ILE 710 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.83 1p80 n ALA 711 N 2.73 -1.97 0.00 1.50 0.00 -1.26 -4.91 120.51 116.61 1p80 n ALA 711 Ca -0.14 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1p80 n ALA 711 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1p80 n ALA 711 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p80 n ASP 712 N -2.63 1.78 -0.60 0.00 9.92 -1.26 -4.67 116.55 119.08 1p80 n ASP 712 Ca -0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1p80 n ASP 712 Cb 0.48 0.25 0.21 0.00 -0.64 0.00 0.00 41.12 41.42 1p80 n ASP 712 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p80 n GLN 713 N -0.83 1.61 0.00 -1.24 1.13 -1.26 -5.05 117.38 111.74 1p80 n GLN 713 Ca 0.00 -1.21 0.00 0.00 -1.94 0.00 0.00 57.00 53.85 1p80 n GLN 713 Cb 0.11 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1p80 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p80 n GLY 714 N 1.33 2.23 2.95 1.08 0.00 -1.26 -5.08 105.19 106.44 1p80 n GLY 714 Ca 0.13 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1p80 n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p80 s GLU 715 N -2.76 0.09 0.20 1.61 2.12 -1.26 -4.85 118.70 113.85 1p80 s GLU 715 Ca 0.00 0.11 -0.33 0.00 0.36 0.00 0.00 54.97 55.12 1p80 s GLU 715 Cb 0.00 0.04 -0.13 0.00 0.26 0.00 0.00 34.13 34.30 1p80 s GLU 715 CO 0.00 -0.01 1.63 0.39 -0.54 0.00 0.00 175.26 176.73 1p80 n GLU 716 N 3.06 2.47 0.00 4.30 1.02 -1.26 -1.55 120.64 128.68 1p80 n GLU 716 Ca -0.13 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1p80 n GLU 716 Cb 0.59 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 1p80 n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p80 n GLY 717 N 3.46 2.73 3.17 0.62 0.00 -1.26 -4.87 105.19 109.04 1p80 n GLY 717 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1p80 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 718 N -2.47 2.76 -0.17 -0.61 -1.09 -0.60 -2.71 121.20 116.32 1p80 s ILE 718 Ca 0.00 -1.17 -0.17 0.00 -2.23 0.00 0.00 60.65 57.09 1p80 s ILE 718 Cb 0.00 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1p80 s ILE 718 CO 0.00 0.13 0.43 -0.69 -1.23 0.00 0.00 174.94 173.58 1p80 s VAL 719 N 1.28 5.20 -0.01 2.92 1.01 -0.03 -4.50 120.40 126.27 1p80 s VAL 719 Ca -0.02 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 1p80 s VAL 719 Cb -0.17 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1p80 s VAL 719 CO -0.04 0.28 0.14 -1.83 0.00 0.00 0.00 175.10 173.65 1p80 s GLU 720 N 1.03 0.39 0.12 2.72 -1.05 -1.26 -0.41 118.70 120.25 1p80 s GLU 720 Ca 0.22 -0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 54.55 1p80 s GLU 720 Cb -0.15 0.17 0.08 0.00 -0.44 0.00 0.00 34.13 33.79 1p80 s GLU 720 CO 0.08 -0.09 1.04 0.00 0.95 0.00 0.00 175.26 177.25 1p80 s ALA 721 N -0.97 -1.77 0.37 -0.84 0.00 -1.18 -5.00 121.76 112.37 1p80 s ALA 721 Ca -0.11 0.19 0.13 0.00 0.00 0.00 0.00 51.96 52.17 1p80 s ALA 721 Cb -0.06 0.60 0.73 0.00 0.00 0.00 0.00 23.12 24.39 1p80 s ALA 721 CO 0.01 -1.05 1.83 -0.44 0.00 0.00 0.00 175.76 176.11 1p80 h ASP 722 N 2.00 0.00 -5.11 0.00 3.45 -1.92 -0.94 116.42 113.90 1p80 h ASP 722 Ca -0.26 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.12 1p80 h ASP 722 Cb 1.22 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 39.85 1p80 h ASP 722 CO 0.27 0.36 -0.28 -0.94 -1.57 0.00 0.00 179.24 177.08 1p80 s SER 723 N -6.94 -0.01 -0.54 6.45 1.04 -1.26 -2.35 113.70 110.09 1p80 s SER 723 Ca -0.03 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 55.65 1p80 s SER 723 Cb 0.14 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1p80 s SER 723 CO 0.72 -0.72 1.20 0.00 0.98 0.00 0.00 173.24 175.43 1p80 s ALA 724 N -3.49 3.03 0.00 5.32 0.00 -1.26 -4.86 121.76 120.51 1p80 s ALA 724 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1p80 s ALA 724 Cb 0.03 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1p80 s ALA 724 CO -0.09 -2.54 0.00 -0.40 0.00 0.00 0.00 175.76 172.72 1p80 n ASP 725 N 8.35 1.52 -0.16 0.00 5.68 -1.26 -4.66 116.55 126.02 1p80 n ASP 725 Ca 0.10 -0.85 -0.04 0.00 -0.50 0.00 0.00 54.79 53.51 1p80 n ASP 725 Cb 0.49 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.52 1p80 n ASP 725 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1p80 h GLY 726 N 0.00 0.69 1.33 6.12 0.00 -1.93 0.20 103.07 109.48 1p80 h GLY 726 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1p80 h GLY 726 CO 0.00 0.08 -0.59 0.23 0.00 0.00 0.00 176.54 176.26 1p80 h SER 727 N 0.45 0.78 -0.31 0.19 0.87 -1.97 -1.25 113.55 112.31 1p80 h SER 727 Ca 0.22 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1p80 h SER 727 Cb 0.16 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1p80 h SER 727 CO -0.18 1.20 0.16 0.15 -0.53 0.00 0.00 176.83 177.63 1p80 h PHE 728 N 0.52 0.44 -0.11 2.24 3.04 -1.83 -1.75 116.94 119.49 1p80 h PHE 728 Ca -0.00 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 1p80 h PHE 728 Cb 1.18 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1p80 h PHE 728 CO 0.06 0.38 -0.42 0.52 -2.02 0.00 0.00 178.31 176.83 1p80 h MET 729 N 0.38 0.25 -0.47 1.11 2.86 -0.92 -1.70 114.93 116.43 1p80 h MET 729 Ca 0.11 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1p80 h MET 729 Cb 0.09 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1p80 h MET 729 CO -0.02 0.63 0.14 -0.44 1.06 0.00 0.00 176.91 178.28 1p80 h ASP 730 N 0.21 0.70 -0.00 1.22 3.32 -0.95 0.51 116.42 121.42 1p80 h ASP 730 Ca 0.02 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1p80 h ASP 730 Cb 0.83 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1p80 h ASP 730 CO 0.07 0.73 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.97 1p80 h GLU 731 N 0.64 -0.04 -0.41 3.56 5.08 -1.13 -0.97 114.58 121.31 1p80 h GLU 731 Ca 0.15 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1p80 h GLU 731 Cb 0.29 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1p80 h GLU 731 CO -0.00 -0.03 0.26 1.25 -1.00 0.00 0.00 179.01 179.50 1p80 h LEU 732 N -0.04 0.45 -1.29 1.33 7.12 -1.10 -2.12 115.31 119.66 1p80 h LEU 732 Ca 0.01 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1p80 h LEU 732 Cb 0.06 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1p80 h LEU 732 CO -0.03 0.32 -0.25 -0.07 -0.13 0.00 0.00 178.44 178.28 1p80 h LEU 733 N 0.54 0.16 -0.38 2.25 3.38 -0.79 -0.55 115.31 119.92 1p80 h LEU 733 Ca 0.16 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1p80 h LEU 733 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1p80 h LEU 733 CO -0.05 0.42 -0.11 0.74 0.09 0.00 0.00 178.44 179.53 1p80 h THR 734 N 0.15 1.28 -0.44 0.22 2.02 -0.89 -1.72 112.91 113.52 1p80 h THR 734 Ca 0.02 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1p80 h THR 734 Cb 0.53 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1p80 h THR 734 CO 0.04 0.40 0.29 -0.07 0.37 0.00 0.00 175.52 176.54 1p80 h LEU 735 N 0.54 0.51 -1.36 2.58 3.38 -0.89 -2.61 115.31 117.46 1p80 h LEU 735 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1p80 h LEU 735 Cb 0.63 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1p80 h LEU 735 CO 0.04 0.37 0.43 0.24 0.09 0.00 0.00 178.44 179.62 1p80 h MET 736 N 0.60 0.85 0.00 1.13 2.86 -0.90 -1.08 114.93 118.39 1p80 h MET 736 Ca 0.16 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1p80 h MET 736 Cb -0.06 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.40 1p80 h MET 736 CO -0.03 0.56 -0.06 0.00 1.06 0.00 0.00 176.91 178.43 1p80 h ALA 737 N 1.60 1.12 -0.24 6.32 0.00 -0.93 -1.09 119.26 126.03 1p80 h ALA 737 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p80 h ALA 737 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1p80 h ALA 737 CO -0.06 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1p80 n ALA 738 N -2.17 2.49 0.00 0.00 0.00 -0.42 -3.90 120.51 116.50 1p80 n ALA 738 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1p80 n ALA 738 Cb 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1p80 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p80 n HIS 739 N 0.59 0.00 -4.19 0.00 -0.00 -0.42 -4.79 115.22 106.40 1p80 n HIS 739 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.77 1p80 n HIS 739 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.27 1p80 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p80 s ARG 740 N 0.00 0.95 -1.07 1.57 1.81 -1.26 -4.74 118.95 116.21 1p80 s ARG 740 Ca 0.00 -1.43 -0.12 0.00 -1.72 0.00 0.00 55.73 52.46 1p80 s ARG 740 Cb 0.00 -0.15 0.23 0.00 -0.45 0.00 0.00 34.95 34.58 1p80 s ARG 740 CO 0.00 -0.10 1.13 0.08 -0.68 0.00 0.00 175.30 175.73 1p80 s VAL 741 N -3.71 5.60 0.40 3.52 1.01 0.72 -4.87 120.40 123.06 1p80 s VAL 741 Ca 0.18 -2.91 0.21 0.00 0.00 0.00 0.00 61.98 59.47 1p80 s VAL 741 Cb 0.06 -4.67 0.23 0.00 0.00 0.00 0.00 36.38 32.00 1p80 s VAL 741 CO -0.00 -1.29 2.00 -0.50 0.00 0.00 0.00 175.10 175.30 1p80 h TRP 742 N 7.16 0.00 0.00 5.22 4.06 -1.94 -2.03 115.95 128.42 1p80 h TRP 742 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1p80 h TRP 742 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1p80 h TRP 742 CO 0.93 0.19 0.00 -1.13 -3.56 0.00 0.00 178.44 174.86 1p80 n SER 743 N -3.87 0.65 -0.04 -3.49 3.41 -1.26 -2.21 113.62 106.81 1p80 n SER 743 Ca -0.02 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1p80 n SER 743 Cb 0.28 -0.82 0.59 0.00 -0.26 0.00 0.00 64.21 64.00 1p80 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1p80 n ARG 744 N -2.25 0.33 -0.16 4.33 0.63 -0.76 -4.33 116.66 114.44 1p80 n ARG 744 Ca 0.01 -0.08 -0.03 0.00 -0.92 0.00 0.00 57.85 56.83 1p80 n ARG 744 Cb 0.19 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.64 1p80 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p80 h ILE 745 N 0.20 0.54 -0.31 5.15 2.04 -1.61 0.75 117.51 124.26 1p80 h ILE 745 Ca 0.00 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1p80 h ILE 745 Cb 0.41 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1p80 h ILE 745 CO 0.00 0.01 0.22 -0.65 0.00 0.00 0.00 178.15 177.72 1p80 h PRO 746 N 0.03 0.11 0.00 2.37 0.11 -1.84 -2.55 132.00 130.22 1p80 h PRO 746 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1p80 h PRO 746 Cb 0.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1p80 h PRO 746 CO -0.48 0.07 -0.17 1.63 -0.21 0.00 0.00 178.00 178.84 1p80 n LYS 747 N -4.47 0.22 0.13 1.05 5.02 0.24 -4.35 118.16 116.00 1p80 n LYS 747 Ca 0.04 0.14 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1p80 n LYS 747 Cb 0.31 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1p80 n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1p80 h ILE 748 N 0.00 0.10 0.00 -0.18 3.07 -1.30 -3.38 117.51 115.82 1p80 h ILE 748 Ca 0.00 -1.17 0.00 0.00 1.55 0.00 0.00 64.86 65.24 1p80 h ILE 748 Cb 0.69 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1p80 h ILE 748 CO 0.00 0.06 0.00 0.47 -1.05 0.00 0.00 178.15 177.63 1p80 n ASP 749 N -2.84 0.00 -0.02 2.16 10.43 -1.26 -2.32 116.55 122.69 1p80 n ASP 749 Ca 0.00 -1.18 -0.12 0.00 2.57 0.00 0.00 54.79 56.06 1p80 n ASP 749 Cb 0.58 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.40 1p80 n ASP 749 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1p80 n LYS 750 N -0.90 0.67 -1.91 -1.24 0.00 -1.26 -4.91 118.16 108.60 1p80 n LYS 750 Ca 0.19 0.26 -0.42 0.00 0.00 0.00 0.00 58.31 58.34 1p80 n LYS 750 Cb 0.09 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.34 1p80 n LYS 750 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1p80 s ILE 751 N -2.58 2.51 -1.29 3.15 -5.25 -0.98 -4.91 121.20 111.85 1p80 s ILE 751 Ca -0.10 0.38 -0.15 0.00 -0.99 0.00 0.00 60.65 59.79 1p80 s ILE 751 Cb 0.08 -3.25 0.11 0.00 2.95 0.00 0.00 42.46 42.35 1p80 s ILE 751 CO 0.81 0.04 1.71 -0.81 -1.79 0.00 0.00 174.94 174.89 1p80 n PRO 752 N 3.40 3.26 0.00 0.37 -0.04 -1.26 -5.07 135.00 135.66 1p80 n PRO 752 Ca 0.12 -3.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 1p80 n PRO 752 Cb 0.38 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1p80 n PRO 752 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46