#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p81 n SER 28 N 0.00 0.00 0.09 -2.24 2.88 -1.26 -5.08 113.62 108.01 1p81 n SER 28 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1p81 n SER 28 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1p81 n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1p81 h LEU 29 N 0.00 0.00-10.11 2.46 3.38 -2.10 -3.48 115.31 105.46 1p81 h LEU 29 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1p81 h LEU 29 Cb 0.00 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.89 1p81 h LEU 29 CO 0.00 0.20 0.49 0.00 0.09 0.00 0.00 178.44 179.22 1p81 s ALA 30 N -3.20 2.44 0.32 1.53 0.00 -1.26 -4.97 121.76 116.62 1p81 s ALA 30 Ca -0.01 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1p81 s ALA 30 Cb 0.09 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1p81 s ALA 30 CO 0.79 -1.40 1.40 -1.25 0.00 0.00 0.00 175.76 175.30 1p81 s PRO 31 N -3.40 4.25 0.58 0.00 0.04 -1.26 -4.92 135.00 130.29 1p81 s PRO 31 Ca 0.79 2.36 0.28 0.00 0.04 0.00 0.00 61.00 64.47 1p81 s PRO 31 Cb -0.33 -3.05 1.74 0.00 0.04 0.00 0.00 34.50 32.90 1p81 s PRO 31 CO 0.37 -0.36 2.24 1.49 0.04 0.00 0.00 177.00 180.77 1p81 h GLU 32 N 3.71 0.00 0.00 4.56 4.57 -1.98 -1.93 114.58 123.52 1p81 h GLU 32 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1p81 h GLU 32 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1p81 h GLU 32 CO 0.68 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.12 1p81 n ASP 33 N -3.94 0.00 -1.21 1.04 5.68 -1.26 -4.88 116.55 111.98 1p81 n ASP 33 Ca -0.03 0.08 -0.11 0.00 -0.50 0.00 0.00 54.79 54.23 1p81 n ASP 33 Cb 0.09 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1p81 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p81 n GLY 34 N 0.31 0.14 0.52 6.12 0.00 -0.72 -4.91 105.19 106.64 1p81 n GLY 34 Ca 0.08 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1p81 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 35 N -0.10 1.58 0.20 1.61 3.41 -1.26 -3.58 113.62 115.48 1p81 n SER 35 Ca -0.13 -1.62 0.09 0.00 -0.26 0.00 0.00 58.87 56.95 1p81 n SER 35 Cb 0.56 -0.06 0.26 0.00 -0.26 0.00 0.00 64.21 64.71 1p81 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p81 h HIS 36 N 2.23 0.00 -3.41 7.33 2.07 -1.91 -3.44 115.15 118.01 1p81 h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1p81 h HIS 36 Cb 0.48 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.25 1p81 h HIS 36 CO 0.06 0.20 -0.63 0.50 -3.07 0.00 0.00 177.93 174.99 1p81 s ARG 37 N -3.30 3.72 0.25 5.12 6.06 -1.23 -4.96 118.95 124.61 1p81 s ARG 37 Ca 0.04 -0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 52.50 1p81 s ARG 37 Cb 0.07 -3.12 -0.09 0.00 0.06 0.00 0.00 34.95 31.87 1p81 s ARG 37 CO 0.67 0.09 1.29 -1.25 -2.50 0.00 0.00 175.30 173.60 1p81 s PRO 38 N 0.82 4.40 0.51 5.12 0.04 -1.26 -4.98 135.00 139.65 1p81 s PRO 38 Ca 0.01 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 1p81 s PRO 38 Cb -0.14 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1p81 s PRO 38 CO 0.02 -0.19 1.00 0.00 0.04 0.00 0.00 177.00 177.87 1p81 n ALA 39 N 1.87 0.26 -2.43 8.56 0.00 -1.26 -4.87 120.51 122.64 1p81 n ALA 39 Ca 0.03 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1p81 n ALA 39 Cb 0.43 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1p81 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p81 n ALA 40 N -1.07 5.82 -3.50 0.00 0.00 -1.26 -4.85 120.51 115.66 1p81 n ALA 40 Ca 0.11 -4.40 -0.16 0.00 0.00 0.00 0.00 53.44 48.98 1p81 n ALA 40 Cb 0.43 -2.68 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 1p81 n ALA 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p81 s GLU 41 N -1.38 1.10 0.15 0.00 2.56 -1.24 -4.89 118.70 115.00 1p81 s GLU 41 Ca 0.41 0.08 -0.34 0.00 0.00 0.00 0.00 54.97 55.12 1p81 s GLU 41 Cb 0.12 0.51 -0.14 0.00 2.00 0.00 0.00 34.13 36.62 1p81 s GLU 41 CO -0.02 -0.38 1.53 -2.30 -0.56 0.00 0.00 175.26 173.54 1p81 n PRO 42 N 0.58 1.99 -3.87 4.30 -0.02 -1.26 -4.99 135.00 131.74 1p81 n PRO 42 Ca -0.18 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1p81 n PRO 42 Cb 0.59 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 1p81 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p81 s THR 43 N 0.80 0.05 0.74 3.45 -4.23 -0.85 -4.97 115.64 110.62 1p81 s THR 43 Ca 0.79 -0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.77 1p81 s THR 43 Cb -0.72 -0.25 0.04 0.00 1.34 0.00 0.00 72.50 72.91 1p81 s THR 43 CO 0.40 -0.21 1.24 -2.16 -0.54 0.00 0.00 174.62 173.35 1p81 s PRO 44 N -0.66 2.02 0.27 3.99 0.04 -1.26 -3.20 135.00 136.20 1p81 s PRO 44 Ca -0.07 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1p81 s PRO 44 Cb -0.04 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 1p81 s PRO 44 CO 0.00 -1.96 1.28 -2.30 0.04 0.00 0.00 177.00 174.06 1p81 n PRO 45 N -2.71 1.83 -0.05 0.56 -0.02 -1.26 -1.65 135.00 131.69 1p81 n PRO 45 Ca 0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1p81 n PRO 45 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1p81 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 46 N 1.62 2.69 0.11 -1.23 0.00 -1.26 -4.89 105.19 102.24 1p81 n GLY 46 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1p81 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p81 h ALA 47 N 0.00 0.61 -2.44 4.61 0.00 -1.66 -3.46 119.26 116.92 1p81 h ALA 47 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 53.99 1p81 h ALA 47 Cb 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.54 1p81 h ALA 47 CO 0.00 0.96 -0.64 -0.65 0.00 0.00 0.00 179.25 178.92 1p81 s GLN 48 N -3.19 0.97 0.28 0.00 -1.52 -1.26 -5.06 119.66 109.88 1p81 s GLN 48 Ca -0.01 -1.47 -0.29 0.00 -1.95 0.00 0.00 55.36 51.63 1p81 s GLN 48 Cb 0.11 0.22 -0.10 0.00 -0.22 0.00 0.00 33.01 33.02 1p81 s GLN 48 CO 0.81 -0.27 1.29 -1.25 -0.25 0.00 0.00 175.29 175.62 1p81 s PRO 49 N -4.05 4.39 0.82 2.91 0.05 -1.26 -4.99 135.00 132.86 1p81 s PRO 49 Ca 0.26 2.13 -0.11 0.00 0.05 0.00 0.00 61.00 63.33 1p81 s PRO 49 Cb 0.07 -3.12 0.08 0.00 0.05 0.00 0.00 34.50 31.59 1p81 s PRO 49 CO 0.03 -0.18 1.09 0.95 0.05 0.00 0.00 177.00 178.95 1p81 s THR 50 N -0.71 3.09 0.23 1.26 -4.23 -1.26 -4.56 115.64 109.46 1p81 s THR 50 Ca 0.51 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.21 1p81 s THR 50 Cb -0.38 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.61 1p81 s THR 50 CO 0.47 -0.46 0.54 0.00 -0.54 0.00 0.00 174.62 174.62 1p81 s ALA 51 N -2.93 -0.72 0.16 3.99 0.00 -1.26 -4.99 121.76 116.01 1p81 s ALA 51 Ca 0.62 -0.49 -0.33 0.00 0.00 0.00 0.00 51.96 51.75 1p81 s ALA 51 Cb -0.17 0.93 -0.16 0.00 0.00 0.00 0.00 23.12 23.72 1p81 s ALA 51 CO 0.56 -0.86 1.14 -2.30 0.00 0.00 0.00 175.76 174.30 1p81 n PRO 52 N -0.37 1.06 -0.35 0.00 -0.02 -1.26 -4.66 135.00 129.40 1p81 n PRO 52 Ca -0.06 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.75 1p81 n PRO 52 Cb 0.62 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1p81 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p81 h GLY 53 N 3.30 -0.29 2.00 -1.23 0.00 -1.20 -1.27 103.07 104.38 1p81 h GLY 53 Ca -0.43 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1p81 h GLY 53 CO 0.70 -0.13 0.00 1.48 0.00 0.00 0.00 176.54 178.59 1p81 h SER 54 N -0.06 0.00 0.42 0.19 4.64 -1.84 0.82 113.55 117.72 1p81 h SER 54 Ca 0.26 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.36 1p81 h SER 54 Cb 0.54 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1p81 h SER 54 CO -0.90 0.00 -1.76 0.18 -0.87 0.00 0.00 176.83 173.48 1p81 n LEU 55 N -2.94 0.55 0.13 5.97 4.77 -0.66 -3.23 117.00 121.59 1p81 n LEU 55 Ca -0.01 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 1p81 n LEU 55 Cb 0.15 0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1p81 n LEU 55 CO 0.21 0.25 -0.19 0.50 -1.33 0.00 0.00 177.39 176.83 1p81 h LYS 56 N 0.00 0.50 -2.03 3.23 1.63 -0.50 -3.41 116.57 115.99 1p81 h LYS 56 Ca -0.25 -0.85 -0.55 0.00 -0.85 0.00 0.00 60.65 58.14 1p81 h LYS 56 Cb 1.73 0.32 -0.40 0.00 -0.60 0.00 0.00 32.23 33.29 1p81 h LYS 56 CO 0.04 1.41 -1.04 0.00 -3.45 0.00 0.00 179.45 176.41 1p81 n ALA 57 N -2.71 2.66 0.05 5.00 0.00 0.21 -3.66 120.51 122.05 1p81 n ALA 57 Ca -0.17 -3.62 0.09 0.00 0.00 0.00 0.00 53.44 49.74 1p81 n ALA 57 Cb 1.05 -0.84 0.53 0.00 0.00 0.00 0.00 19.45 20.20 1p81 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p81 h PRO 58 N 3.85 0.29 -0.00 0.00 0.13 -1.73 -0.92 132.00 133.62 1p81 h PRO 58 Ca 0.09 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1p81 h PRO 58 Cb 0.85 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1p81 h PRO 58 CO 0.53 0.19 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.12 1p81 n ASP 59 N -4.48 0.14 -4.59 1.44 8.00 -1.26 -4.71 116.55 111.08 1p81 n ASP 59 Ca 0.04 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.35 1p81 n ASP 59 Cb 0.22 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1p81 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p81 s THR 60 N -2.95 4.15 0.20 -3.53 2.01 -0.35 -4.99 115.64 110.18 1p81 s THR 60 Ca 0.15 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.30 1p81 s THR 60 Cb 0.19 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 1p81 s THR 60 CO 0.56 -1.11 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.18 1p81 s ARG 61 N 4.59 1.26 0.30 4.92 1.81 -1.26 -5.03 118.95 125.55 1p81 s ARG 61 Ca 0.46 -1.59 -0.16 0.00 -1.72 0.00 0.00 55.73 52.72 1p81 s ARG 61 Cb -0.07 -0.78 0.02 0.00 -0.45 0.00 0.00 34.95 33.66 1p81 s ARG 61 CO 0.30 0.04 0.65 0.54 -0.68 0.00 0.00 175.30 176.15 1p81 s ASN 62 N -3.28 -0.05 0.22 0.23 2.20 -1.26 -5.00 114.94 108.00 1p81 s ASN 62 Ca 0.23 -0.90 -0.09 0.00 -0.94 0.00 0.00 52.86 51.17 1p81 s ASN 62 Cb 0.03 0.72 0.21 0.00 -2.00 0.00 0.00 41.25 40.21 1p81 s ASN 62 CO 0.06 -1.37 1.87 -0.08 -2.94 0.00 0.00 177.10 174.63 1p81 h GLU 63 N 2.07 0.96 -0.26 3.55 4.81 -1.97 -0.27 114.58 123.48 1p81 h GLU 63 Ca -0.25 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1p81 h GLU 63 Cb 1.25 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1p81 h GLU 63 CO 0.32 0.63 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.98 1p81 h LYS 64 N 0.99 0.47 -0.84 1.92 1.63 -1.96 -2.05 116.57 116.73 1p81 h LYS 64 Ca 0.31 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1p81 h LYS 64 Cb -0.01 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 1p81 h LYS 64 CO -0.10 0.67 0.54 -0.07 -3.45 0.00 0.00 179.45 177.04 1p81 h LEU 65 N 0.23 0.91 -0.81 5.20 3.38 -1.86 -1.58 115.31 120.78 1p81 h LEU 65 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1p81 h LEU 65 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1p81 h LEU 65 CO 0.02 0.63 0.07 0.78 0.09 0.00 0.00 178.44 180.03 1p81 h ASN 66 N 1.06 0.92 0.82 -0.43 2.35 -1.00 -2.89 115.58 116.42 1p81 h ASN 66 Ca 0.34 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1p81 h ASN 66 Cb -0.00 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1p81 h ASN 66 CO -0.11 0.94 0.00 0.77 -1.65 0.00 0.00 177.43 177.38 1p81 h SER 67 N 0.91 0.00 0.59 5.81 4.64 -0.55 -1.50 113.55 123.45 1p81 h SER 67 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1p81 h SER 67 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1p81 h SER 67 CO 0.01 0.00 -0.08 0.18 -0.87 0.00 0.00 176.83 176.07 1p81 n LEU 68 N -2.98 0.20 0.24 5.97 4.77 -0.92 -4.10 117.00 120.18 1p81 n LEU 68 Ca 0.00 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1p81 n LEU 68 Cb 0.26 -0.29 0.74 0.00 -2.33 0.00 0.00 43.42 41.80 1p81 n LEU 68 CO 0.25 0.04 1.11 -0.08 -1.33 0.00 0.00 177.39 177.38 1p81 h GLU 69 N 0.19 0.00 0.00 3.23 4.57 -1.34 -1.64 114.58 119.58 1p81 h GLU 69 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p81 h GLU 69 Cb 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1p81 h GLU 69 CO 0.00 0.00 -0.02 0.38 -1.18 0.00 0.00 179.01 178.19 1p81 h ASP 70 N 0.00 0.00 -0.00 1.04 -0.00 -1.81 -2.84 116.42 112.81 1p81 h ASP 70 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 1p81 h ASP 70 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 1p81 h ASP 70 CO -0.00 0.02 -0.24 1.33 -0.00 0.00 0.00 179.24 180.34 1p81 n VAL 71 N -3.23 0.00 -2.06 4.15 0.24 -0.65 -4.99 118.33 111.80 1p81 n VAL 71 Ca -0.02 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 1p81 n VAL 71 Cb 0.14 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 1p81 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p81 s ARG 72 N -1.40 4.29 -0.10 7.34 0.52 -1.04 -5.00 118.95 123.56 1p81 s ARG 72 Ca 0.04 2.24 0.03 0.00 -0.52 0.00 0.00 55.73 57.52 1p81 s ARG 72 Cb 0.05 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 1p81 s ARG 72 CO 0.23 -0.38 -0.21 0.21 0.02 0.00 0.00 175.30 175.17 1p81 s LYS 73 N -0.26 3.01 0.00 3.54 2.20 -1.26 -5.03 119.74 121.94 1p81 s LYS 73 Ca 0.59 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1p81 s LYS 73 Cb -0.41 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 1p81 s LYS 73 CO 0.42 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 1p81 n GLY 74 N 3.36 0.89 0.22 5.54 0.00 -1.26 -5.07 105.19 108.87 1p81 n GLY 74 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1p81 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 75 N 0.00 0.00 -4.68 1.61 3.41 -1.26 -5.07 113.62 107.63 1p81 n SER 75 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1p81 n SER 75 Cb 0.00 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1p81 n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p81 n GLU 76 N -1.52 2.16 -1.12 4.33 1.02 -1.26 -1.64 120.64 122.61 1p81 n GLU 76 Ca 0.00 0.77 -0.04 0.00 -0.02 0.00 0.00 57.16 57.87 1p81 n GLU 76 Cb 0.00 -2.45 -0.02 0.00 -0.02 0.00 0.00 31.44 28.95 1p81 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1p81 n ASN 77 N 2.15 -4.75 -4.82 1.62 3.02 -1.26 -5.02 115.26 106.20 1p81 n ASN 77 Ca 0.11 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 1p81 n ASN 77 Cb 0.32 -2.60 -0.06 0.00 -0.61 0.00 0.00 39.78 36.84 1p81 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p81 s TYR 78 N -1.73 3.28 0.42 3.10 2.02 -0.65 -5.09 117.35 118.69 1p81 s TYR 78 Ca 0.00 0.10 -0.22 0.00 -0.37 0.00 0.00 57.07 56.58 1p81 s TYR 78 Cb 0.00 -1.64 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 1p81 s TYR 78 CO 0.00 0.54 0.99 0.00 -1.57 0.00 0.00 175.55 175.51 1p81 s ALA 79 N -1.49 3.04 0.07 3.71 0.00 -1.26 -5.01 121.76 120.81 1p81 s ALA 79 Ca 0.31 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1p81 s ALA 79 Cb -0.12 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1p81 s ALA 79 CO 0.24 -0.05 1.19 -1.17 0.00 0.00 0.00 175.76 175.97 1p81 s LEU 80 N -2.95 4.38 0.00 0.00 2.96 -1.26 -5.01 118.68 116.80 1p81 s LEU 80 Ca 0.60 2.02 0.05 0.00 -0.22 0.00 0.00 54.13 56.59 1p81 s LEU 80 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1p81 s LEU 80 CO 0.20 -0.44 0.17 0.35 -1.32 0.00 0.00 176.35 175.31 1p81 n THR 81 N 3.74 0.00 -2.08 3.68 -2.24 -1.26 -1.74 114.28 114.37 1p81 n THR 81 Ca 0.08 -2.46 -0.28 0.00 -2.27 0.00 0.00 64.05 59.12 1p81 n THR 81 Cb 0.46 0.94 0.18 0.00 -2.10 0.00 0.00 70.33 69.81 1p81 n THR 81 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p81 s THR 82 N -3.18 2.02 -0.09 4.28 -4.23 0.11 -4.88 115.64 109.68 1p81 s THR 82 Ca 0.25 -0.14 0.30 0.00 -1.18 0.00 0.00 61.69 60.93 1p81 s THR 82 Cb 0.01 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.33 1p81 s THR 82 CO 0.17 0.00 1.88 0.78 -0.54 0.00 0.00 174.62 176.91 1p81 h ASN 83 N -1.44 0.00 -0.26 3.99 2.35 -1.98 -1.75 115.58 116.49 1p81 h ASN 83 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1p81 h ASN 83 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1p81 h ASN 83 CO 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.14 1p81 n GLN 84 N -2.98 1.78 -0.81 0.81 1.13 -1.26 -4.94 117.38 111.11 1p81 n GLN 84 Ca 0.02 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.88 1p81 n GLN 84 Cb 0.35 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1p81 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p81 n GLY 85 N 1.11 0.55 3.67 1.08 0.00 -0.66 -5.05 105.19 105.89 1p81 n GLY 85 Ca 0.14 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1p81 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 86 N -2.00 5.01 0.28 1.61 1.01 -1.26 -4.79 120.40 120.27 1p81 s VAL 86 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 1p81 s VAL 86 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1p81 s VAL 86 CO 0.00 0.13 1.39 -0.13 0.00 0.00 0.00 175.10 176.50 1p81 s ARG 87 N 1.68 4.29 -0.13 2.72 0.52 -1.26 -0.71 118.95 126.05 1p81 s ARG 87 Ca 0.31 2.28 -0.12 0.00 -0.52 0.00 0.00 55.73 57.69 1p81 s ARG 87 Cb -0.16 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 1p81 s ARG 87 CO 0.12 -0.34 0.27 0.42 0.02 0.00 0.00 175.30 175.79 1p81 s ILE 88 N -0.47 5.30 -0.17 1.52 1.01 -0.71 -4.89 121.20 122.79 1p81 s ILE 88 Ca 0.55 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.61 1p81 s ILE 88 Cb -0.41 -3.59 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 1p81 s ILE 88 CO 0.48 0.47 0.21 0.00 0.00 0.00 0.00 174.94 176.10 1p81 n ALA 89 N 2.99 0.95 -3.75 9.38 0.00 -1.26 -4.81 120.51 124.00 1p81 n ALA 89 Ca -0.14 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 1p81 n ALA 89 Cb 0.52 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 1p81 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p81 s ASP 90 N -6.97 4.05 -0.23 0.00 3.68 -1.26 -4.97 116.67 110.98 1p81 s ASP 90 Ca -0.26 -1.78 0.06 0.00 2.13 0.00 0.00 52.55 52.70 1p81 s ASP 90 Cb 0.07 -0.94 0.52 0.00 -1.45 0.00 0.00 42.92 41.12 1p81 s ASP 90 CO 0.69 -0.40 1.48 -0.67 0.13 0.00 0.00 175.17 176.41 1p81 n ASP 91 N 4.66 3.93 -0.01 -0.34 4.64 -1.26 -4.04 116.55 124.14 1p81 n ASP 91 Ca -0.00 -2.85 0.05 0.00 -1.38 0.00 0.00 54.79 50.60 1p81 n ASP 91 Cb 0.41 -0.68 -0.05 0.00 -1.04 0.00 0.00 41.12 39.76 1p81 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p81 n GLN 92 N -0.05 3.76 -3.92 -0.67 1.13 -1.26 -5.04 117.38 111.32 1p81 n GLN 92 Ca 0.29 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.23 1p81 n GLN 92 Cb 1.09 -0.96 -0.10 0.00 0.11 0.00 0.00 30.24 30.39 1p81 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p81 s ASN 93 N -1.88 0.15 0.45 1.08 0.01 -1.26 -5.15 114.94 108.34 1p81 s ASN 93 Ca 0.04 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.63 1p81 s ASN 93 Cb 0.07 0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.87 1p81 s ASN 93 CO 0.39 -0.44 0.82 -0.44 -1.51 0.00 0.00 177.10 175.92 1p81 s SER 94 N -1.83 6.48 -0.07 -1.22 0.01 -1.26 -4.97 113.70 110.84 1p81 s SER 94 Ca -0.09 1.19 -0.30 0.00 1.31 0.00 0.00 55.95 58.07 1p81 s SER 94 Cb -0.04 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1p81 s SER 94 CO -0.02 -0.49 1.10 -0.22 0.41 0.00 0.00 173.24 174.02 1p81 s LEU 95 N -4.09 4.27 0.09 2.44 2.96 -1.26 -5.02 118.68 118.06 1p81 s LEU 95 Ca 0.52 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 1p81 s LEU 95 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1p81 s LEU 95 CO 0.35 -0.50 -0.05 0.00 -1.32 0.00 0.00 176.35 174.83 1p81 s ARG 96 N 2.03 0.80 -0.93 1.98 1.70 -1.26 -1.06 118.95 122.21 1p81 s ARG 96 Ca 0.52 -1.33 -0.21 0.00 -0.47 0.00 0.00 55.73 54.25 1p81 s ARG 96 Cb -0.22 -0.08 0.09 0.00 -0.57 0.00 0.00 34.95 34.17 1p81 s ARG 96 CO 0.21 -0.06 1.23 0.00 -1.08 0.00 0.00 175.30 175.60 1p81 s ALA 97 N -3.72 3.09 0.00 7.88 0.00 -0.92 -4.80 121.76 123.29 1p81 s ALA 97 Ca 0.12 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.64 1p81 s ALA 97 Cb 0.06 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1p81 s ALA 97 CO -0.05 -3.20 0.00 0.41 0.00 0.00 0.00 175.76 172.92 1p81 n GLY 98 N 5.96 2.21 0.10 0.00 0.00 -1.26 -3.63 105.19 108.57 1p81 n GLY 98 Ca 0.24 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.63 1p81 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 99 N 0.00 0.49 -0.47 1.61 3.41 -1.26 -1.26 113.62 116.14 1p81 n SER 99 Ca 0.00 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 1p81 n SER 99 Cb 0.00 -0.73 0.19 0.00 -0.26 0.00 0.00 64.21 63.41 1p81 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p81 n ARG 100 N -2.05 1.78 -1.94 4.33 1.74 -1.26 -5.08 116.66 114.19 1p81 n ARG 100 Ca 0.02 -2.82 -0.13 0.00 -0.77 0.00 0.00 57.85 54.15 1p81 n ARG 100 Cb 0.20 -1.64 0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1p81 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p81 n GLY 101 N -1.14 1.18 3.80 -0.13 0.00 -0.39 -5.06 105.19 103.45 1p81 n GLY 101 Ca 0.20 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1p81 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p81 s PRO 102 N -3.84 3.84 0.20 1.61 0.04 -1.26 -4.60 135.00 130.98 1p81 s PRO 102 Ca 0.38 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1p81 s PRO 102 Cb -0.02 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1p81 s PRO 102 CO 0.25 -0.40 1.15 0.99 0.04 0.00 0.00 177.00 179.03 1p81 s THR 103 N -1.97 3.63 0.13 1.26 2.01 -1.26 -2.16 115.64 117.28 1p81 s THR 103 Ca 0.67 1.43 -0.15 0.00 0.31 0.00 0.00 61.69 63.94 1p81 s THR 103 Cb -0.16 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 1p81 s THR 103 CO 0.20 0.25 0.55 -0.76 -0.69 0.00 0.00 174.62 174.17 1p81 s LEU 104 N -0.49 4.37 0.57 4.42 1.43 -0.22 -4.95 118.68 123.80 1p81 s LEU 104 Ca 0.50 1.10 0.32 0.00 -1.03 0.00 0.00 54.13 55.02 1p81 s LEU 104 Cb -0.32 -3.20 1.72 0.00 0.03 0.00 0.00 46.19 44.43 1p81 s LEU 104 CO 0.37 0.13 2.17 0.25 0.23 0.00 0.00 176.35 179.50 1p81 h LEU 105 N 3.72 0.00 0.00 1.79 5.85 -1.95 -1.71 115.31 123.01 1p81 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p81 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1p81 h LEU 105 CO 0.65 0.06 0.00 -1.84 -0.34 0.00 0.00 178.44 176.97 1p81 n GLU 106 N -3.55 0.23 -2.21 1.25 0.28 -1.26 -4.48 120.64 110.89 1p81 n GLU 106 Ca -0.02 0.12 -0.31 0.00 -0.16 0.00 0.00 57.16 56.78 1p81 n GLU 106 Cb 0.17 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.50 1p81 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p81 s ASP 107 N -2.64 5.58 0.47 -1.84 3.68 -0.65 -4.75 116.67 116.53 1p81 s ASP 107 Ca 0.16 -1.08 0.27 0.00 2.13 0.00 0.00 52.55 54.04 1p81 s ASP 107 Cb 0.13 -2.57 0.87 0.00 -1.45 0.00 0.00 42.92 39.90 1p81 s ASP 107 CO 0.29 -2.37 1.80 2.19 0.13 0.00 0.00 175.17 177.21 1p81 h PHE 108 N 10.53 0.00 -0.03 -5.34 -0.00 -1.90 -2.55 116.94 117.66 1p81 h PHE 108 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.10 1p81 h PHE 108 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1p81 h PHE 108 CO 1.24 0.09 -0.08 0.82 -0.00 0.00 0.00 178.31 180.39 1p81 h ILE 109 N 0.00 1.46 -0.15 0.88 2.04 -1.97 -0.20 117.51 119.56 1p81 h ILE 109 Ca -0.00 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.41 1p81 h ILE 109 Cb 0.77 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1p81 h ILE 109 CO 0.01 0.40 -0.02 0.25 0.00 0.00 0.00 178.15 178.79 1p81 h LEU 110 N -0.46 -0.11 -0.79 1.44 5.85 -1.93 -1.71 115.31 117.59 1p81 h LEU 110 Ca -0.00 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1p81 h LEU 110 Cb 0.69 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1p81 h LEU 110 CO 0.02 -0.03 -0.26 0.03 -0.34 0.00 0.00 178.44 177.85 1p81 h ARG 111 N 0.02 0.62 -0.01 1.25 3.08 -1.41 0.60 114.38 118.53 1p81 h ARG 111 Ca 0.07 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1p81 h ARG 111 Cb 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1p81 h ARG 111 CO -0.14 0.83 -0.00 1.49 -1.07 0.00 0.00 179.97 181.07 1p81 h GLU 112 N 0.54 0.01 -0.78 0.04 4.81 -0.87 0.10 114.58 118.44 1p81 h GLU 112 Ca 0.07 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1p81 h GLU 112 Cb 0.74 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 1p81 h GLU 112 CO 0.06 0.33 0.48 -0.22 -0.73 0.00 0.00 179.01 178.93 1p81 h LYS 113 N -0.31 0.86 -0.06 1.92 3.64 -0.91 -1.10 116.57 120.62 1p81 h LYS 113 Ca 0.00 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1p81 h LYS 113 Cb 0.33 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1p81 h LYS 113 CO 0.00 0.57 -0.76 0.82 -2.27 0.00 0.00 179.45 177.82 1p81 h ILE 114 N 0.89 1.40 -0.61 2.00 1.08 -0.83 -2.71 117.51 118.72 1p81 h ILE 114 Ca 0.33 -2.22 -0.00 0.00 -0.39 0.00 0.00 64.86 62.58 1p81 h ILE 114 Cb 0.13 2.18 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 1p81 h ILE 114 CO -0.16 0.66 0.36 0.74 -0.69 0.00 0.00 178.15 179.07 1p81 h THR 115 N 0.24 1.18 -0.59 -0.27 2.02 -0.51 0.13 112.91 115.11 1p81 h THR 115 Ca -0.03 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1p81 h THR 115 Cb 1.34 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1p81 h THR 115 CO 0.13 0.19 0.04 -0.74 0.37 0.00 0.00 175.52 175.50 1p81 h HIS 116 N 0.82 1.07 -0.48 3.16 -0.00 -1.18 -2.45 115.15 116.08 1p81 h HIS 116 Ca 0.22 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1p81 h HIS 116 Cb -0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.09 1p81 h HIS 116 CO -0.02 0.93 0.17 0.35 -0.00 0.00 0.00 177.93 179.37 1p81 h PHE 117 N 0.92 0.76 0.00 5.26 3.57 -1.13 -2.63 116.94 123.70 1p81 h PHE 117 Ca 0.18 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1p81 h PHE 117 Cb 0.49 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1p81 h PHE 117 CO 0.03 0.65 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.32 1p81 h ASP 118 N 0.64 0.00 -0.06 0.41 3.45 -0.43 -2.65 116.42 117.79 1p81 h ASP 118 Ca 0.16 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.55 1p81 h ASP 118 Cb 0.23 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.91 1p81 h ASP 118 CO -0.01 0.00 -0.61 1.41 -1.57 0.00 0.00 179.24 178.46 1p81 n HIS 119 N -3.11 0.23 -0.13 4.55 8.25 -0.95 -4.82 115.22 119.23 1p81 n HIS 119 Ca -0.02 -1.42 -0.07 0.00 -0.26 0.00 0.00 57.72 55.94 1p81 n HIS 119 Cb 0.13 -0.24 0.09 0.00 1.12 0.00 0.00 29.99 31.08 1p81 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p81 h GLU 120 N 1.11 0.88 -6.83 -0.41 5.08 -1.26 -3.45 114.58 109.71 1p81 h GLU 120 Ca -0.01 -0.30 -0.48 0.00 -1.00 0.00 0.00 59.36 57.58 1p81 h GLU 120 Cb 1.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1p81 h GLU 120 CO 0.07 0.94 0.34 1.03 -1.00 0.00 0.00 179.01 180.39 1p81 s ARG 121 N -4.84 4.66 0.24 2.33 1.81 -1.26 -5.09 118.95 116.81 1p81 s ARG 121 Ca -0.10 1.37 0.11 0.00 -1.72 0.00 0.00 55.73 55.38 1p81 s ARG 121 Cb 0.14 -2.96 -0.05 0.00 -0.45 0.00 0.00 34.95 31.63 1p81 s ARG 121 CO 0.84 0.36 -0.15 0.96 -0.68 0.00 0.00 175.30 176.63 1p81 s ILE 122 N -1.47 2.78 0.27 1.52 -4.36 -1.26 -5.10 121.20 113.58 1p81 s ILE 122 Ca 0.47 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.46 1p81 s ILE 122 Cb -0.21 -2.43 -0.13 0.00 1.25 0.00 0.00 42.46 40.95 1p81 s ILE 122 CO 0.26 -0.28 1.41 -2.65 0.24 0.00 0.00 174.94 173.92 1p81 n PRO 123 N -0.37 2.16 -1.88 0.37 -0.02 -1.26 -4.98 135.00 129.02 1p81 n PRO 123 Ca -0.08 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 1p81 n PRO 123 Cb 0.58 -2.42 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1p81 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p81 s GLU 124 N -0.79 2.81 0.44 -0.52 -1.05 -1.26 -4.84 118.70 113.49 1p81 s GLU 124 Ca 0.64 0.45 -0.26 0.00 -0.15 0.00 0.00 54.97 55.65 1p81 s GLU 124 Cb -0.60 -2.02 -0.09 0.00 -0.44 0.00 0.00 34.13 30.98 1p81 s GLU 124 CO 0.53 -1.07 1.40 0.54 0.95 0.00 0.00 175.26 177.61 1p81 n ARG 125 N -3.03 2.21 -0.08 -4.83 1.74 -1.26 -4.90 116.66 106.52 1p81 n ARG 125 Ca 0.07 0.79 -0.07 0.00 -0.77 0.00 0.00 57.85 57.87 1p81 n ARG 125 Cb 0.57 -2.57 -0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1p81 n ARG 125 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1p81 h ILE 126 N 2.30 0.78 -2.70 0.55 1.08 -1.98 -3.35 117.51 114.18 1p81 h ILE 126 Ca -0.50 -0.03 -0.50 0.00 -0.39 0.00 0.00 64.86 63.44 1p81 h ILE 126 Cb 1.27 0.70 -0.14 0.00 -3.07 0.00 0.00 36.82 35.57 1p81 h ILE 126 CO 0.61 0.01 -0.74 0.68 -0.69 0.00 0.00 178.15 178.02 1p81 s VAL 127 N -6.19 1.97 -1.41 1.67 -7.23 -1.26 -4.81 120.40 103.14 1p81 s VAL 127 Ca -0.13 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 57.74 1p81 s VAL 127 Cb 0.12 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1p81 s VAL 127 CO 0.70 -0.52 0.48 1.41 -0.31 0.00 0.00 175.10 176.85 1p81 n HIS 128 N -0.41 -1.64 0.21 2.82 8.25 -0.58 -4.91 115.22 118.97 1p81 n HIS 128 Ca -0.07 0.41 0.05 0.00 -0.26 0.00 0.00 57.72 57.84 1p81 n HIS 128 Cb 0.60 -4.06 0.47 0.00 1.12 0.00 0.00 29.99 28.12 1p81 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p81 h ALA 129 N 0.89 1.63 -2.31 -1.41 0.00 -1.70 -3.40 119.26 112.95 1p81 h ALA 129 Ca -0.47 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 53.61 1p81 h ALA 129 Cb 1.33 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1p81 h ALA 129 CO 0.51 0.28 0.19 0.50 0.00 0.00 0.00 179.25 180.73 1p81 s ARG 130 N -4.55 3.74 0.04 0.00 6.06 -1.25 -4.05 118.95 118.94 1p81 s ARG 130 Ca -0.04 0.15 -0.27 0.00 -2.50 0.00 0.00 55.73 53.07 1p81 s ARG 130 Cb 0.15 -3.79 0.08 0.00 0.06 0.00 0.00 34.95 31.46 1p81 s ARG 130 CO 0.70 -0.72 0.73 0.20 -2.50 0.00 0.00 175.30 173.71 1p81 s GLY 131 N 1.76 -0.54 -0.03 8.12 0.00 -1.26 -1.20 107.32 114.18 1p81 s GLY 131 Ca 0.26 0.97 0.02 0.00 0.00 0.00 0.00 44.72 45.97 1p81 s GLY 131 CO 0.14 0.48 -0.08 -0.56 0.00 0.00 0.00 173.10 173.09 1p81 s SER 132 N -2.15 1.11 0.13 1.64 0.01 0.13 -4.94 113.70 109.63 1p81 s SER 132 Ca -0.01 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.10 1p81 s SER 132 Cb -0.01 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1p81 s SER 132 CO -0.05 0.03 -0.05 0.00 0.41 0.00 0.00 173.24 173.57 1p81 s ALA 133 N 0.40 1.16 0.12 1.44 0.00 -1.26 -0.62 121.76 123.00 1p81 s ALA 133 Ca -0.06 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.26 1p81 s ALA 133 Cb -0.10 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1p81 s ALA 133 CO 0.01 -0.23 0.49 0.00 0.00 0.00 0.00 175.76 176.03 1p81 s ALA 134 N -3.58 -1.24 0.19 0.00 0.00 -0.59 -4.52 121.76 112.02 1p81 s ALA 134 Ca 0.16 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 1p81 s ALA 134 Cb 0.05 0.68 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 1p81 s ALA 134 CO -0.02 -0.65 0.52 -1.01 0.00 0.00 0.00 175.76 174.60 1p81 s HIS 135 N -3.47 3.48 0.00 0.00 3.76 0.02 -0.91 115.29 118.17 1p81 s HIS 135 Ca 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 1p81 s HIS 135 Cb 0.00 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1p81 s HIS 135 CO -0.10 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 1p81 n GLY 136 N 0.14 2.32 3.25 -2.22 0.00 -0.52 -1.26 105.19 106.90 1p81 n GLY 136 Ca -0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1p81 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p81 s TYR 137 N -2.35 -0.03 0.12 1.61 -0.85 -0.30 -1.19 117.35 114.36 1p81 s TYR 137 Ca 0.00 -0.31 0.06 0.00 -0.52 0.00 0.00 57.07 56.31 1p81 s TYR 137 Cb 0.00 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1p81 s TYR 137 CO 0.00 -0.60 -0.15 0.12 -1.52 0.00 0.00 175.55 173.40 1p81 s PHE 138 N -3.60 1.48 -0.20 -3.49 5.36 0.79 -1.33 117.98 116.99 1p81 s PHE 138 Ca 0.02 -0.51 -0.13 0.00 -0.96 0.00 0.00 56.93 55.35 1p81 s PHE 138 Cb 0.03 -0.78 0.06 0.00 -0.34 0.00 0.00 43.02 41.99 1p81 s PHE 138 CO -0.10 0.16 0.51 -1.14 -1.46 0.00 0.00 175.22 173.20 1p81 s GLN 139 N -2.47 0.53 0.53 10.12 0.74 -0.75 -0.68 119.66 127.68 1p81 s GLN 139 Ca 0.08 0.88 -0.18 0.00 0.05 0.00 0.00 55.36 56.19 1p81 s GLN 139 Cb -0.06 0.10 -0.07 0.00 1.10 0.00 0.00 33.01 34.08 1p81 s GLN 139 CO 0.04 -0.13 1.03 -1.25 -0.55 0.00 0.00 175.29 174.42 1p81 s PRO 140 N 1.17 3.67 0.11 1.67 0.04 -1.26 -1.58 135.00 138.81 1p81 s PRO 140 Ca -0.07 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 1p81 s PRO 140 Cb -0.06 -2.08 -0.18 0.00 0.04 0.00 0.00 34.50 32.21 1p81 s PRO 140 CO -0.11 -0.52 1.23 1.88 0.04 0.00 0.00 177.00 179.52 1p81 h TYR 141 N 1.09 0.46 -3.56 0.56 0.99 -1.45 -3.37 116.97 111.68 1p81 h TYR 141 Ca -0.48 -0.30 -0.06 0.00 2.00 0.00 0.00 58.73 59.89 1p81 h TYR 141 Cb 1.21 -0.03 -0.12 0.00 1.00 0.00 0.00 36.73 38.79 1p81 h TYR 141 CO 0.59 1.18 -0.14 -1.59 -0.00 0.00 0.00 178.16 178.20 1p81 s LYS 142 N -2.91 1.23 0.28 4.88 -2.85 -1.26 -4.72 119.74 114.38 1p81 s LYS 142 Ca -0.04 -0.97 -0.29 0.00 -1.00 0.00 0.00 55.97 53.67 1p81 s LYS 142 Cb 0.08 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.20 1p81 s LYS 142 CO 0.87 -0.49 1.40 0.45 0.10 0.00 0.00 175.35 177.68 1p81 s SER 143 N -2.90 6.67 -0.26 0.03 0.15 -1.26 -4.63 113.70 111.50 1p81 s SER 143 Ca 0.11 2.70 0.12 0.00 0.70 0.00 0.00 55.95 59.58 1p81 s SER 143 Cb 0.01 -2.63 0.54 0.00 -1.71 0.00 0.00 66.02 62.23 1p81 s SER 143 CO -0.03 -0.67 1.50 0.18 1.20 0.00 0.00 173.24 175.42 1p81 n LEU 144 N 1.76 4.31 0.09 3.45 4.77 0.29 -4.75 117.00 126.91 1p81 n LEU 144 Ca 0.04 -3.43 0.20 0.00 -0.03 0.00 0.00 56.01 52.80 1p81 n LEU 144 Cb 0.41 -0.62 0.75 0.00 -2.33 0.00 0.00 43.42 41.63 1p81 n LEU 144 CO 0.60 0.98 1.18 0.28 -1.33 0.00 0.00 177.39 179.10 1p81 h SER 145 N 1.41 0.00 0.40 -1.43 0.02 -1.75 0.62 113.55 112.81 1p81 h SER 145 Ca 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1p81 h SER 145 Cb 1.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1p81 h SER 145 CO 0.39 0.00 -0.26 0.44 -1.14 0.00 0.00 176.83 176.26 1p81 h ASP 146 N 0.00 0.00 -0.00 3.07 3.45 -1.98 -3.31 116.42 117.65 1p81 h ASP 146 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1p81 h ASP 146 Cb 0.95 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 1p81 h ASP 146 CO -0.00 0.26 -0.13 2.30 -1.57 0.00 0.00 179.24 180.09 1p81 n ILE 147 N -3.92 0.00 -3.65 0.35 -5.35 0.12 -4.85 119.36 102.06 1p81 n ILE 147 Ca -0.02 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 61.90 1p81 n ILE 147 Cb 0.34 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.17 1p81 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p81 s THR 148 N -1.20 -0.00 -2.24 7.28 -1.32 -0.65 -3.30 115.64 114.21 1p81 s THR 148 Ca 0.01 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.69 1p81 s THR 148 Cb 0.02 -0.93 0.43 0.00 -1.51 0.00 0.00 72.50 70.51 1p81 s THR 148 CO 0.12 0.00 1.46 2.29 -2.21 0.00 0.00 174.62 176.28 1p81 n LYS 149 N 2.86 1.94 -1.68 7.08 2.85 -0.59 -3.71 118.16 126.91 1p81 n LYS 149 Ca -0.14 -1.42 -0.47 0.00 -1.05 0.00 0.00 58.31 55.22 1p81 n LYS 149 Cb 0.56 -1.40 -0.04 0.00 -0.65 0.00 0.00 35.03 33.49 1p81 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p81 n ALA 150 N 0.65 1.14 -0.34 0.58 0.00 -1.20 -4.72 120.51 116.62 1p81 n ALA 150 Ca 0.16 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 1p81 n ALA 150 Cb 0.39 -2.49 0.09 0.00 0.00 0.00 0.00 19.45 17.43 1p81 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p81 h ASP 151 N 8.63 1.06 0.20 0.00 3.58 -1.92 -2.30 116.42 125.68 1p81 h ASP 151 Ca -0.48 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1p81 h ASP 151 Cb 1.26 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1p81 h ASP 151 CO 0.94 0.79 0.00 2.22 -2.88 0.00 0.00 179.24 180.31 1p81 n PHE 152 N -4.42 0.50 -0.26 0.28 1.16 -1.26 -1.42 117.46 112.03 1p81 n PHE 152 Ca 0.10 0.24 0.05 0.00 -1.87 0.00 0.00 57.45 55.97 1p81 n PHE 152 Cb 0.03 -0.88 0.15 0.00 -1.61 0.00 0.00 39.48 37.18 1p81 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p81 n LEU 153 N -1.99 2.96 0.07 5.98 4.77 -0.87 -4.63 117.00 123.29 1p81 n LEU 153 Ca 0.00 -2.12 0.12 0.00 -0.03 0.00 0.00 56.01 53.98 1p81 n LEU 153 Cb 0.08 -0.25 0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1p81 n LEU 153 CO 0.10 0.71 0.25 0.77 -1.33 0.00 0.00 177.39 177.89 1p81 h SER 154 N 1.82 0.00 -3.33 -1.43 4.64 -1.20 0.83 113.55 114.88 1p81 h SER 154 Ca 0.00 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 1p81 h SER 154 Cb 0.79 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.63 1p81 h SER 154 CO 0.02 0.09 -0.27 -0.62 -0.87 0.00 0.00 176.83 175.19 1p81 s ASP 155 N -4.46 -0.53 0.64 4.97 3.68 -1.26 -4.43 116.67 115.28 1p81 s ASP 155 Ca 0.05 0.92 0.37 0.00 2.13 0.00 0.00 52.55 56.02 1p81 s ASP 155 Cb 0.13 0.82 2.07 0.00 -1.45 0.00 0.00 42.92 44.49 1p81 s ASP 155 CO 0.74 -0.19 2.23 1.55 0.13 0.00 0.00 175.17 179.63 1p81 h PRO 156 N 6.83 0.00 -0.25 4.34 0.13 -1.82 -1.23 132.00 140.00 1p81 h PRO 156 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1p81 h PRO 156 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p81 h PRO 156 CO 0.28 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.14 1p81 n ASN 157 N -3.27 2.63 -4.60 1.44 3.02 -1.26 -4.55 115.26 108.67 1p81 n ASN 157 Ca -0.02 -1.87 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 1p81 n ASN 157 Cb 0.18 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 1p81 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p81 s LYS 158 N -1.69 3.87 -0.18 3.52 2.20 -0.46 -5.04 119.74 121.96 1p81 s LYS 158 Ca 0.35 0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 56.15 1p81 s LYS 158 Cb 0.20 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1p81 s LYS 158 CO 0.29 -0.61 0.13 0.42 -0.36 0.00 0.00 175.35 175.22 1p81 s ILE 159 N 2.67 5.38 -0.20 5.43 -1.09 -1.26 -4.47 121.20 127.66 1p81 s ILE 159 Ca 0.26 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.85 1p81 s ILE 159 Cb -0.15 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1p81 s ILE 159 CO 0.12 0.48 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.28 1p81 s THR 160 N 0.09 2.52 0.57 2.92 2.01 0.15 -4.95 115.64 118.94 1p81 s THR 160 Ca 0.09 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 1p81 s THR 160 Cb -0.11 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1p81 s THR 160 CO -0.01 0.47 1.32 -2.84 -0.69 0.00 0.00 174.62 172.87 1p81 s PRO 161 N 1.35 3.03 0.14 4.92 0.02 -1.26 -0.15 135.00 143.05 1p81 s PRO 161 Ca 0.05 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.23 1p81 s PRO 161 Cb -0.14 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 1p81 s PRO 161 CO -0.09 -1.24 -0.07 0.14 -0.33 0.00 0.00 177.00 175.41 1p81 s VAL 162 N -1.36 0.92 -0.09 3.83 -7.23 -0.33 -1.43 120.40 114.71 1p81 s VAL 162 Ca 0.74 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1p81 s VAL 162 Cb -0.38 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1p81 s VAL 162 CO 0.44 -0.71 -0.05 0.12 -0.31 0.00 0.00 175.10 174.59 1p81 s PHE 163 N -3.49 1.11 -0.06 2.82 5.36 -0.82 -1.44 117.98 121.46 1p81 s PHE 163 Ca 0.17 -0.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1p81 s PHE 163 Cb 0.04 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.69 1p81 s PHE 163 CO -0.00 -0.40 -0.15 0.08 -1.46 0.00 0.00 175.22 173.29 1p81 s VAL 164 N 1.66 3.01 -0.09 3.12 1.01 -0.08 -0.81 120.40 128.22 1p81 s VAL 164 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1p81 s VAL 164 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1p81 s VAL 164 CO -0.06 0.58 -0.14 -0.60 0.00 0.00 0.00 175.10 174.88 1p81 s ARG 165 N -0.53 1.98 0.12 2.72 3.52 0.72 -1.54 118.95 125.93 1p81 s ARG 165 Ca 0.07 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.21 1p81 s ARG 165 Cb -0.12 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.58 1p81 s ARG 165 CO 0.01 -0.01 0.16 -0.06 -0.81 0.00 0.00 175.30 174.60 1p81 s PHE 166 N 0.82 3.29 0.27 5.12 0.40 0.21 -0.77 117.98 127.32 1p81 s PHE 166 Ca -0.11 0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.11 1p81 s PHE 166 Cb -0.15 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1p81 s PHE 166 CO 0.02 0.53 0.66 -1.54 0.70 0.00 0.00 175.22 175.59 1p81 s SER 167 N -2.84 -0.24 0.19 1.36 1.04 -0.37 -0.70 113.70 112.13 1p81 s SER 167 Ca 0.32 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1p81 s SER 167 Cb -0.11 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1p81 s SER 167 CO 0.25 -1.28 0.00 0.35 0.98 0.00 0.00 173.24 173.53 1p81 n THR 168 N -0.44 0.00 0.01 2.02 -2.24 -0.34 -0.01 114.28 113.29 1p81 n THR 168 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1p81 n THR 168 Cb 0.60 -1.22 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1p81 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p81 n VAL 169 N -1.02 0.41 0.06 2.28 0.31 -1.26 -3.99 118.33 115.12 1p81 n VAL 169 Ca 0.00 0.11 -0.21 0.00 -0.01 0.00 0.00 64.34 64.23 1p81 n VAL 169 Cb 0.00 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 1p81 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p81 h GLN 170 N -0.04 0.34 -7.24 5.55 -0.00 -1.95 -1.53 115.11 110.24 1p81 h GLN 170 Ca -0.02 -0.57 -0.52 0.00 -0.00 0.00 0.00 58.65 57.55 1p81 h GLN 170 Cb 0.73 0.21 0.14 0.00 0.00 0.00 0.00 27.48 28.56 1p81 h GLN 170 CO -0.01 1.27 0.34 0.20 0.00 0.00 0.00 178.83 180.62 1p81 s GLY 171 N -4.43 1.98 1.20 2.39 0.00 -1.26 -4.79 107.32 102.41 1p81 s GLY 171 Ca -0.13 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 44.94 1p81 s GLY 171 CO 0.85 0.92 1.15 -0.32 0.00 0.00 0.00 173.10 175.70 1p81 s GLY 172 N -2.71 1.62 0.56 0.20 0.00 -1.26 -3.75 107.32 101.98 1p81 s GLY 172 Ca 0.67 -1.10 0.34 0.00 0.00 0.00 0.00 44.72 44.62 1p81 s GLY 172 CO 0.49 -0.18 2.06 0.00 0.00 0.00 0.00 173.10 175.47 1p81 h ALA 173 N -2.56 1.05 -0.63 3.20 0.00 -1.95 -1.15 119.26 117.23 1p81 h ALA 173 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p81 h ALA 173 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p81 h ALA 173 CO 0.30 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1p81 n GLY 174 N -0.30 2.32 3.43 0.00 0.00 -1.26 -4.72 105.19 104.67 1p81 n GLY 174 Ca -0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1p81 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 175 N 1.20 0.44 -4.88 1.61 3.41 -0.43 -5.07 113.62 109.89 1p81 n SER 175 Ca 0.23 -1.61 -0.30 0.00 -0.26 0.00 0.00 58.87 56.93 1p81 n SER 175 Cb 0.72 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1p81 n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 s ALA 176 N -3.71 3.52 -0.08 7.33 0.00 -1.26 -4.91 121.76 122.64 1p81 s ALA 176 Ca 0.64 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 1p81 s ALA 176 Cb -0.02 -2.47 -0.24 0.00 0.00 0.00 0.00 23.12 20.39 1p81 s ALA 176 CO 0.44 0.28 0.99 -0.44 0.00 0.00 0.00 175.76 177.03 1p81 h ASP 177 N 1.91 0.05 -0.33 0.00 3.45 -0.85 -3.38 116.42 117.27 1p81 h ASP 177 Ca -0.47 -0.78 -0.24 0.00 0.43 0.00 0.00 57.03 55.96 1p81 h ASP 177 Cb 1.18 -0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 39.85 1p81 h ASP 177 CO 0.67 0.83 0.03 0.35 -1.57 0.00 0.00 179.24 179.54 1p81 n THR 178 N -4.67 2.80 -1.89 0.35 -2.24 -1.26 -4.92 114.28 102.45 1p81 n THR 178 Ca -0.09 -1.64 -0.29 0.00 -2.27 0.00 0.00 64.05 59.76 1p81 n THR 178 Cb 0.41 -1.66 0.09 0.00 -2.10 0.00 0.00 70.33 67.06 1p81 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 179 N -0.60 2.18 -0.37 2.28 -7.23 -1.26 -4.41 120.40 110.98 1p81 s VAL 179 Ca 0.43 0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.44 1p81 s VAL 179 Cb 0.24 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1p81 s VAL 179 CO -0.05 -0.08 0.71 -0.60 -0.31 0.00 0.00 175.10 174.77 1p81 s ARG 180 N -5.54 3.67 -0.02 4.82 3.52 -1.26 -4.53 118.95 119.60 1p81 s ARG 180 Ca 0.62 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 1p81 s ARG 180 Cb -0.11 -3.83 0.11 0.00 -1.56 0.00 0.00 34.95 29.56 1p81 s ARG 180 CO 0.49 -0.83 1.18 -2.00 -0.81 0.00 0.00 175.30 173.33 1p81 s GLU 181 N 2.93 0.56 0.81 5.12 2.12 -0.37 -4.63 118.70 125.24 1p81 s GLU 181 Ca 0.28 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.21 1p81 s GLU 181 Cb -0.14 0.21 0.08 0.00 0.26 0.00 0.00 34.13 34.54 1p81 s GLU 181 CO 0.17 -0.25 1.13 0.42 -0.54 0.00 0.00 175.26 176.18 1p81 s ILE 182 N -2.64 2.74 0.04 -3.70 -1.09 -1.26 -4.49 121.20 110.81 1p81 s ILE 182 Ca 0.12 0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.90 1p81 s ILE 182 Cb 0.02 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1p81 s ILE 182 CO -0.03 -0.29 -0.26 -0.13 -1.23 0.00 0.00 174.94 173.00 1p81 s ARG 183 N -4.61 1.83 0.23 2.79 1.81 -1.26 -4.02 118.95 115.72 1p81 s ARG 183 Ca 0.65 -1.10 -0.13 0.00 -1.72 0.00 0.00 55.73 53.43 1p81 s ARG 183 Cb -0.21 -2.00 -0.08 0.00 -0.45 0.00 0.00 34.95 32.21 1p81 s ARG 183 CO 0.54 0.51 0.62 0.20 -0.68 0.00 0.00 175.30 176.49 1p81 s GLY 184 N -1.26 2.38 -0.33 -3.53 0.00 0.99 -0.70 107.32 104.87 1p81 s GLY 184 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1p81 s GLY 184 CO 0.02 0.12 0.17 -0.12 0.00 0.00 0.00 173.10 173.29 1p81 s PHE 185 N -1.74 0.68 -0.12 1.90 2.19 0.25 -1.24 117.98 119.89 1p81 s PHE 185 Ca 0.46 -1.34 -0.00 0.00 0.33 0.00 0.00 56.93 56.38 1p81 s PHE 185 Cb -0.12 -1.02 -0.02 0.00 -1.31 0.00 0.00 43.02 40.55 1p81 s PHE 185 CO 0.20 -0.83 -0.11 0.00 1.83 0.00 0.00 175.22 176.30 1p81 s ALA 186 N 1.54 2.71 -0.15 11.12 0.00 0.05 -1.63 121.76 135.40 1p81 s ALA 186 Ca 0.13 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1p81 s ALA 186 Cb -0.20 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1p81 s ALA 186 CO -0.18 0.29 -0.15 0.99 0.00 0.00 0.00 175.76 176.71 1p81 s THR 187 N 0.18 1.63 -0.35 0.00 2.01 -0.32 -0.20 115.64 118.59 1p81 s THR 187 Ca -0.06 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1p81 s THR 187 Cb -0.15 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1p81 s THR 187 CO 0.04 0.47 0.38 -0.75 -0.69 0.00 0.00 174.62 174.08 1p81 s LYS 188 N 1.38 3.52 -0.37 4.92 2.20 0.01 -0.72 119.74 130.67 1p81 s LYS 188 Ca 0.03 -0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 1p81 s LYS 188 Cb -0.13 -3.82 -0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1p81 s LYS 188 CO -0.09 -0.57 0.31 -0.06 -0.36 0.00 0.00 175.35 174.58 1p81 s PHE 189 N 2.06 3.22 -1.10 4.03 0.40 0.95 -1.93 117.98 125.60 1p81 s PHE 189 Ca 0.12 -0.26 -0.18 0.00 -0.60 0.00 0.00 56.93 56.00 1p81 s PHE 189 Cb -0.17 -2.61 0.11 0.00 0.51 0.00 0.00 43.02 40.86 1p81 s PHE 189 CO 0.12 -0.48 1.41 0.71 0.70 0.00 0.00 175.22 177.68 1p81 s TYR 190 N 1.85 3.00 0.59 0.36 2.02 -0.52 -1.60 117.35 123.06 1p81 s TYR 190 Ca 0.08 -1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 55.27 1p81 s TYR 190 Cb -0.17 -4.49 0.03 0.00 -0.40 0.00 0.00 41.96 36.93 1p81 s TYR 190 CO 0.11 -1.64 0.85 0.95 -1.57 0.00 0.00 175.55 174.25 1p81 s THR 191 N 3.29 2.87 -0.52 -0.71 -4.23 -0.90 -4.31 115.64 111.13 1p81 s THR 191 Ca 0.43 -0.42 0.24 0.00 -1.18 0.00 0.00 61.69 60.76 1p81 s THR 191 Cb -0.01 -3.13 0.26 0.00 1.34 0.00 0.00 72.50 70.95 1p81 s THR 191 CO -0.04 -0.11 1.73 -0.62 -0.54 0.00 0.00 174.62 175.04 1p81 n GLU 192 N -2.52 0.21 -0.26 3.99 1.02 -1.26 -2.21 120.64 119.61 1p81 n GLU 192 Ca 0.07 0.38 0.08 0.00 -0.02 0.00 0.00 57.16 57.67 1p81 n GLU 192 Cb 0.59 -1.86 0.18 0.00 -0.02 0.00 0.00 31.44 30.33 1p81 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p81 n GLU 193 N -2.26 1.75 0.00 3.49 1.02 -1.26 -4.81 120.64 118.58 1p81 n GLU 193 Ca 0.03 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 1p81 n GLU 193 Cb 0.27 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1p81 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p81 n GLY 194 N -1.16 3.40 3.73 0.62 0.00 -0.94 -4.75 105.19 106.09 1p81 n GLY 194 Ca 0.19 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1p81 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 195 N -2.61 3.74 -0.20 -0.61 -1.09 -1.26 -2.11 121.20 117.06 1p81 s ILE 195 Ca 0.00 1.39 0.01 0.00 -2.23 0.00 0.00 60.65 59.82 1p81 s ILE 195 Cb 0.00 -3.89 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1p81 s ILE 195 CO 0.00 0.19 -0.18 0.12 -1.23 0.00 0.00 174.94 173.84 1p81 s PHE 196 N 0.27 2.87 -0.23 3.97 5.36 -0.63 -4.25 117.98 125.35 1p81 s PHE 196 Ca 0.54 -1.75 -0.09 0.00 -0.96 0.00 0.00 56.93 54.68 1p81 s PHE 196 Cb -0.31 -1.93 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 1p81 s PHE 196 CO 0.34 -0.82 0.11 -0.51 -1.46 0.00 0.00 175.22 172.88 1p81 s ASP 197 N 1.26 5.68 -0.43 6.13 -0.00 -0.52 -0.04 116.67 128.75 1p81 s ASP 197 Ca 0.03 0.01 -0.08 0.00 -0.00 0.00 0.00 52.55 52.50 1p81 s ASP 197 Cb -0.14 -2.01 0.10 0.00 -0.00 0.00 0.00 42.92 40.86 1p81 s ASP 197 CO -0.11 0.07 0.28 -0.22 -0.00 0.00 0.00 175.17 175.18 1p81 s LEU 198 N 1.03 5.33 -0.72 1.23 2.96 0.10 -4.39 118.68 124.23 1p81 s LEU 198 Ca 0.05 -1.71 -0.10 0.00 -0.22 0.00 0.00 54.13 52.16 1p81 s LEU 198 Cb -0.14 -1.97 0.19 0.00 0.50 0.00 0.00 46.19 44.77 1p81 s LEU 198 CO 0.04 -0.59 0.61 -0.69 -1.32 0.00 0.00 176.35 174.39 1p81 s VAL 199 N 1.37 4.78 0.00 1.68 1.01 -1.26 -1.17 120.40 126.81 1p81 s VAL 199 Ca 0.04 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.45 1p81 s VAL 199 Cb -0.24 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1p81 s VAL 199 CO 0.00 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.76 1p81 n GLY 200 N 3.89 4.33 1.91 4.51 0.00 -0.65 -4.90 105.19 114.28 1p81 n GLY 200 Ca 0.09 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 1p81 n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p81 n ASN 201 N -1.03 1.13 -1.01 1.61 3.02 -0.36 -0.58 115.26 118.03 1p81 n ASN 201 Ca 0.00 -2.24 0.11 0.00 -0.03 0.00 0.00 54.58 52.43 1p81 n ASN 201 Cb 0.00 0.58 0.26 0.00 -0.61 0.00 0.00 39.78 40.01 1p81 n ASN 201 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1p81 n ASN 202 N -1.74 3.01 -4.19 6.41 6.94 0.12 0.02 115.26 125.83 1p81 n ASN 202 Ca -0.03 -1.93 -0.17 0.00 -0.02 0.00 0.00 54.58 52.42 1p81 n ASN 202 Cb 0.35 -0.25 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 1p81 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p81 s THR 203 N -1.51 1.11 -2.09 5.53 -4.23 -1.26 -4.54 115.64 108.66 1p81 s THR 203 Ca 0.38 -1.50 0.23 0.00 -1.18 0.00 0.00 61.69 59.62 1p81 s THR 203 Cb 0.21 -1.26 0.61 0.00 1.34 0.00 0.00 72.50 73.41 1p81 s THR 203 CO 0.30 -0.37 1.82 -0.81 -0.54 0.00 0.00 174.62 175.02 1p81 n PRO 204 N 0.89 1.18 -4.18 3.99 -0.04 -1.26 -4.57 135.00 131.00 1p81 n PRO 204 Ca -0.18 -0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1p81 n PRO 204 Cb 0.56 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 1p81 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p81 s ILE 205 N -1.97 0.08 0.47 0.52 -0.00 -1.26 -4.53 121.20 114.51 1p81 s ILE 205 Ca 0.34 -1.96 0.06 0.00 -0.00 0.00 0.00 60.65 59.10 1p81 s ILE 205 Cb 0.17 -2.28 -0.01 0.00 -0.00 0.00 0.00 42.46 40.33 1p81 s ILE 205 CO 0.27 -0.23 0.27 0.12 -0.00 0.00 0.00 174.94 175.37 1p81 s PHE 206 N -4.08 2.19 0.19 1.37 2.19 -0.06 -4.88 117.98 114.89 1p81 s PHE 206 Ca 0.32 -0.71 0.02 0.00 0.33 0.00 0.00 56.93 56.89 1p81 s PHE 206 Cb 0.07 -1.93 0.07 0.00 -1.31 0.00 0.00 43.02 39.92 1p81 s PHE 206 CO 0.07 -0.08 1.43 0.74 1.83 0.00 0.00 175.22 179.21 1p81 h PHE 207 N 1.13 0.34 -2.53 10.12 -1.00 -1.89 -3.39 116.94 119.72 1p81 h PHE 207 Ca -0.41 -0.16 -0.52 0.00 2.81 0.00 0.00 57.97 59.69 1p81 h PHE 207 Cb 1.28 -0.05 -0.14 0.00 3.61 0.00 0.00 35.95 40.65 1p81 h PHE 207 CO 0.84 0.93 -0.71 0.96 -1.61 0.00 0.00 178.31 178.71 1p81 s ILE 208 N -3.42 1.95 -0.18 -0.55 -4.36 -1.26 -2.77 121.20 110.60 1p81 s ILE 208 Ca -0.04 -2.23 0.06 0.00 -0.26 0.00 0.00 60.65 58.18 1p81 s ILE 208 Cb 0.11 -2.31 -0.22 0.00 1.25 0.00 0.00 42.46 41.29 1p81 s ILE 208 CO 0.82 -0.41 0.11 0.00 0.24 0.00 0.00 174.94 175.71 1p81 n GLN 209 N -0.55 0.68 -5.20 0.37 6.02 -1.26 -4.59 117.38 112.84 1p81 n GLN 209 Ca -0.06 0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.77 1p81 n GLN 209 Cb 0.62 -1.60 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 1p81 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p81 s ASP 210 N -6.31 3.21 0.58 1.08 -1.08 -1.26 -2.66 116.67 110.23 1p81 s ASP 210 Ca -0.21 -0.47 0.28 0.00 -0.52 0.00 0.00 52.55 51.62 1p81 s ASP 210 Cb 0.08 -0.89 1.60 0.00 -1.46 0.00 0.00 42.92 42.25 1p81 s ASP 210 CO 0.73 0.25 2.09 0.00 0.52 0.00 0.00 175.17 178.76 1p81 h ALA 211 N 6.04 1.90 -0.18 3.66 0.00 -1.72 -1.69 119.26 127.26 1p81 h ALA 211 Ca -0.33 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1p81 h ALA 211 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1p81 h ALA 211 CO 0.48 -0.33 0.15 1.25 0.00 0.00 0.00 179.25 180.80 1p81 h HIS 212 N 0.00 0.00 -0.06 0.00 6.17 -1.95 -1.27 115.15 118.04 1p81 h HIS 212 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1p81 h HIS 212 Cb 0.53 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.46 1p81 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1p81 n LYS 213 N -4.19 1.53 -0.13 5.26 5.02 -0.64 -4.48 118.16 120.52 1p81 n LYS 213 Ca 0.01 -0.78 -0.05 0.00 -2.02 0.00 0.00 58.31 55.48 1p81 n LYS 213 Cb 0.28 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1p81 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p81 h PHE 214 N 1.74 0.29 -0.37 2.13 3.04 -1.37 -1.18 116.94 121.22 1p81 h PHE 214 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1p81 h PHE 214 Cb 0.38 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1p81 h PHE 214 CO 0.04 0.11 0.07 -1.35 -2.02 0.00 0.00 178.31 175.16 1p81 h PRO 215 N 0.33 0.55 -0.16 6.41 0.11 -1.81 0.64 132.00 138.07 1p81 h PRO 215 Ca 0.20 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1p81 h PRO 215 Cb 0.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1p81 h PRO 215 CO -0.19 0.52 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.52 1p81 h ASP 216 N 0.54 0.42 -0.27 -2.05 3.45 -1.59 -0.94 116.42 115.99 1p81 h ASP 216 Ca 0.12 -0.47 -0.01 0.00 0.43 0.00 0.00 57.03 57.10 1p81 h ASP 216 Cb 0.23 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1p81 h ASP 216 CO -0.00 0.81 0.14 0.15 -1.57 0.00 0.00 179.24 178.76 1p81 h PHE 217 N 0.04 0.38 -0.54 4.55 3.04 -0.95 -1.51 116.94 121.95 1p81 h PHE 217 Ca 0.03 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1p81 h PHE 217 Cb 0.69 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1p81 h PHE 217 CO 0.08 0.34 0.04 0.28 -2.02 0.00 0.00 178.31 177.03 1p81 h VAL 218 N 0.31 1.26 -0.87 1.41 2.07 -0.88 -1.66 116.25 117.89 1p81 h VAL 218 Ca 0.09 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1p81 h VAL 218 Cb 0.10 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1p81 h VAL 218 CO -0.01 0.37 0.57 0.45 0.02 0.00 0.00 177.57 178.97 1p81 h HIS 219 N 0.80 1.06 -0.41 1.57 3.86 -1.06 0.47 115.15 121.44 1p81 h HIS 219 Ca 0.16 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1p81 h HIS 219 Cb 0.48 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1p81 h HIS 219 CO 0.04 0.62 -0.16 0.00 0.86 0.00 0.00 177.93 179.29 1p81 h ALA 220 N 1.48 0.95 0.10 2.45 0.00 -0.77 -3.21 119.26 120.28 1p81 h ALA 220 Ca 0.34 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1p81 h ALA 220 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1p81 h ALA 220 CO -0.10 0.61 -1.31 -0.24 0.00 0.00 0.00 179.25 178.21 1p81 h VAL 221 N 0.68 1.41 -3.48 0.00 3.04 -0.79 -2.30 116.25 114.82 1p81 h VAL 221 Ca 0.11 -3.03 -0.44 0.00 -1.01 0.00 0.00 66.70 62.33 1p81 h VAL 221 Cb 0.65 2.86 0.19 0.00 -2.01 0.00 0.00 31.29 32.98 1p81 h VAL 221 CO 0.05 0.87 0.08 -0.54 -1.01 0.00 0.00 177.57 177.01 1p81 s LYS 222 N -2.65 -0.56 0.41 4.17 -0.14 0.11 -4.67 119.74 116.41 1p81 s LYS 222 Ca -0.05 0.61 -0.27 0.00 -1.36 0.00 0.00 55.97 54.91 1p81 s LYS 222 Cb 0.07 -1.61 -0.10 0.00 -1.68 0.00 0.00 37.83 34.51 1p81 s LYS 222 CO 0.86 -3.42 1.42 -2.30 -0.76 0.00 0.00 175.35 171.15 1p81 n PRO 223 N -4.67 2.35 -2.18 -1.68 -0.02 -1.26 -4.78 135.00 122.75 1p81 n PRO 223 Ca 0.04 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 1p81 n PRO 223 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1p81 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 224 N -2.24 3.56 0.30 -0.52 2.02 0.02 -4.69 118.70 117.15 1p81 s GLU 224 Ca 0.58 1.81 0.05 0.00 0.02 0.00 0.00 54.97 57.43 1p81 s GLU 224 Cb -0.48 -2.29 0.46 0.00 0.10 0.00 0.00 34.13 31.93 1p81 s GLU 224 CO 0.60 -0.73 1.72 -1.00 0.02 0.00 0.00 175.26 175.87 1p81 h PRO 225 N 1.75 0.31 -0.13 0.39 0.13 -1.90 0.33 132.00 132.87 1p81 h PRO 225 Ca -0.50 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 1p81 h PRO 225 Cb 1.26 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p81 h PRO 225 CO 0.59 0.63 -0.02 1.12 -0.23 0.00 0.00 178.00 180.08 1p81 h HIS 226 N 0.27 0.28 -0.00 1.56 2.07 -1.97 -3.39 115.15 113.97 1p81 h HIS 226 Ca 0.03 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1p81 h HIS 226 Cb 0.75 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.66 1p81 h HIS 226 CO 0.02 0.53 0.00 -2.67 -3.07 0.00 0.00 177.93 172.74 1p81 n TRP 227 N -4.73 0.00 -3.50 6.12 4.27 -1.18 -5.04 117.44 113.38 1p81 n TRP 227 Ca -0.06 -0.01 -0.23 0.00 -3.89 0.00 0.00 57.50 53.31 1p81 n TRP 227 Cb 0.24 -0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.25 1p81 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p81 n ALA 228 N 0.11 -2.44 -2.93 -1.67 0.00 0.11 -4.99 120.51 108.71 1p81 n ALA 228 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1p81 n ALA 228 Cb 0.06 -4.50 -0.12 0.00 0.00 0.00 0.00 19.45 14.89 1p81 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p81 s ILE 229 N -3.46 0.06 0.12 0.00 1.01 -1.25 -4.69 121.20 112.99 1p81 s ILE 229 Ca 0.39 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1p81 s ILE 229 Cb -0.10 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 1p81 s ILE 229 CO 0.80 -0.26 0.17 -2.16 0.00 0.00 0.00 174.94 173.49 1p81 s PRO 230 N -0.76 3.09 0.04 2.79 0.04 -1.26 -0.80 135.00 138.14 1p81 s PRO 230 Ca -0.08 -0.70 -0.22 0.00 0.04 0.00 0.00 61.00 60.03 1p81 s PRO 230 Cb -0.05 -2.79 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1p81 s PRO 230 CO -0.00 0.53 0.66 -1.14 0.04 0.00 0.00 177.00 177.08 1p81 s GLN 231 N -2.87 4.37 -1.08 4.56 2.00 -1.26 -4.03 119.66 121.35 1p81 s GLN 231 Ca 0.32 0.87 0.00 0.00 -2.00 0.00 0.00 55.36 54.55 1p81 s GLN 231 Cb -0.11 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.38 1p81 s GLN 231 CO 0.25 0.42 0.00 0.41 -0.50 0.00 0.00 175.29 175.86 1p81 n GLY 232 N 2.21 0.91 3.02 2.59 0.00 -1.26 -5.00 105.19 107.66 1p81 n GLY 232 Ca -0.06 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1p81 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p81 s GLN 233 N -3.28 0.17 0.00 1.61 -0.21 -1.26 -4.50 119.66 112.20 1p81 s GLN 233 Ca 0.00 0.29 0.27 0.00 0.02 0.00 0.00 55.36 55.93 1p81 s GLN 233 Cb 0.00 0.02 0.75 0.00 1.00 0.00 0.00 33.01 34.78 1p81 s GLN 233 CO 0.00 -0.07 1.57 -1.13 -2.12 0.00 0.00 175.29 173.55 1p81 n SER 234 N 3.36 1.73 -3.66 5.90 3.41 -1.26 -4.69 113.62 118.40 1p81 n SER 234 Ca -0.17 -1.47 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 1p81 n SER 234 Cb 0.57 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1p81 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 n ALA 235 N 0.22 5.03 -3.27 7.33 0.00 -1.26 -4.61 120.51 123.96 1p81 n ALA 235 Ca 0.16 -3.66 -0.12 0.00 0.00 0.00 0.00 53.44 49.82 1p81 n ALA 235 Cb 0.41 -3.54 -0.03 0.00 0.00 0.00 0.00 19.45 16.28 1p81 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p81 s HIS 236 N 3.64 -0.42 0.19 0.00 -3.43 -1.26 -4.73 115.29 109.28 1p81 s HIS 236 Ca 0.51 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.82 1p81 s HIS 236 Cb 0.14 0.45 0.20 0.00 -1.43 0.00 0.00 32.58 31.94 1p81 s HIS 236 CO -0.03 -0.79 1.67 -0.44 -2.00 0.00 0.00 174.74 173.15 1p81 h ASP 237 N 2.16 -0.30 -0.33 7.38 5.19 -1.88 -2.92 116.42 125.72 1p81 h ASP 237 Ca -0.34 0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1p81 h ASP 237 Cb 1.29 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 1p81 h ASP 237 CO 0.41 -0.11 0.02 0.71 -3.12 0.00 0.00 179.24 177.15 1p81 h THR 238 N 0.08 1.22 0.23 0.35 1.35 -1.94 0.25 112.91 114.45 1p81 h THR 238 Ca 0.26 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 1p81 h THR 238 Cb 0.41 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1p81 h THR 238 CO -0.47 0.31 -0.11 0.15 -0.25 0.00 0.00 175.52 175.15 1p81 h PHE 239 N 0.64 -0.29 0.00 4.73 3.57 -1.22 -1.62 116.94 122.75 1p81 h PHE 239 Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1p81 h PHE 239 Cb 0.37 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1p81 h PHE 239 CO 0.02 -0.15 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.01 1p81 h TRP 240 N -0.35 0.00 0.22 0.41 4.06 -1.45 -0.15 115.95 118.68 1p81 h TRP 240 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 1p81 h TRP 240 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1p81 h TRP 240 CO -0.05 0.45 -0.10 0.22 -3.56 0.00 0.00 178.44 175.40 1p81 h ASP 241 N 0.00 -0.25 -0.33 -3.49 3.58 -0.33 0.43 116.42 116.03 1p81 h ASP 241 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1p81 h ASP 241 Cb 0.85 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1p81 h ASP 241 CO 0.06 -0.10 0.21 0.22 -2.88 0.00 0.00 179.24 176.75 1p81 h TYR 242 N -0.38 0.42 -0.84 0.28 5.03 -1.03 -2.26 116.97 118.20 1p81 h TYR 242 Ca -0.03 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1p81 h TYR 242 Cb 0.29 -0.14 -0.06 0.00 1.55 0.00 0.00 36.73 38.37 1p81 h TYR 242 CO -0.04 0.29 0.53 0.28 -1.32 0.00 0.00 178.16 177.90 1p81 h VAL 243 N 0.43 1.08 0.00 1.81 2.07 -0.95 -0.47 116.25 120.23 1p81 h VAL 243 Ca 0.12 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1p81 h VAL 243 Cb -0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1p81 h VAL 243 CO -0.02 0.18 -0.19 0.77 0.02 0.00 0.00 177.57 178.33 1p81 h SER 244 N 0.99 0.00 0.12 0.57 4.64 -0.35 -2.77 113.55 116.75 1p81 h SER 244 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1p81 h SER 244 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1p81 h SER 244 CO -0.15 0.19 -0.88 0.18 -0.87 0.00 0.00 176.83 175.30 1p81 n LEU 245 N -3.70 0.87 -3.60 5.97 4.77 -0.74 -4.73 117.00 115.85 1p81 n LEU 245 Ca -0.01 -0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 55.30 1p81 n LEU 245 Cb 0.30 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1p81 n LEU 245 CO 0.32 0.22 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.25 1p81 s GLN 246 N -3.00 1.15 0.59 3.23 -1.52 -0.26 -5.00 119.66 114.84 1p81 s GLN 246 Ca 0.09 -2.01 0.33 0.00 -1.95 0.00 0.00 55.36 51.81 1p81 s GLN 246 Cb 0.16 -1.99 1.83 0.00 -0.22 0.00 0.00 33.01 32.79 1p81 s GLN 246 CO 0.83 -1.24 2.22 -1.00 -0.25 0.00 0.00 175.29 175.85 1p81 h PRO 247 N 6.40 0.00 -0.86 2.91 0.13 -1.85 -1.57 132.00 137.16 1p81 h PRO 247 Ca 0.09 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.47 1p81 h PRO 247 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 1p81 h PRO 247 CO 0.43 0.04 0.63 1.05 -0.23 0.00 0.00 178.00 179.92 1p81 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.87 -1.16 114.58 116.52 1p81 h GLU 248 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p81 h GLU 248 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1p81 h GLU 248 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1p81 h THR 249 N 0.00 0.00 -0.66 -1.06 1.35 -1.10 -3.35 112.91 108.09 1p81 h THR 249 Ca 0.41 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1p81 h THR 249 Cb 1.67 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 1p81 h THR 249 CO -0.00 0.00 0.40 -0.07 -0.25 0.00 0.00 175.52 175.59 1p81 h LEU 250 N 0.00 0.78 0.58 3.87 3.38 -1.41 -1.84 115.31 120.67 1p81 h LEU 250 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1p81 h LEU 250 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1p81 h LEU 250 CO 0.00 0.60 -0.30 -0.74 0.09 0.00 0.00 178.44 178.09 1p81 h HIS 251 N 0.91 -0.79 -0.00 1.13 2.76 -1.80 -0.57 115.15 116.78 1p81 h HIS 251 Ca 0.24 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1p81 h HIS 251 Cb -0.04 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1p81 h HIS 251 CO 0.00 -0.48 -0.30 -0.97 -1.30 0.00 0.00 177.93 174.89 1p81 h ASN 252 N -0.81 0.00 -0.69 3.26 -0.00 -1.75 -1.94 115.58 113.65 1p81 h ASN 252 Ca -0.08 -0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.19 1p81 h ASN 252 Cb 0.64 -0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.92 1p81 h ASN 252 CO 0.11 0.30 0.30 0.58 -0.00 0.00 0.00 177.43 178.72 1p81 h VAL 253 N 0.00 1.24 -0.40 2.57 2.07 -1.01 -0.94 116.25 119.78 1p81 h VAL 253 Ca -0.00 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1p81 h VAL 253 Cb 0.53 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1p81 h VAL 253 CO 0.04 0.30 0.23 0.24 0.02 0.00 0.00 177.57 178.39 1p81 h MET 254 N 1.02 0.45 -0.64 1.57 2.86 -0.33 -0.32 114.93 119.55 1p81 h MET 254 Ca 0.24 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1p81 h MET 254 Cb 0.17 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1p81 h MET 254 CO -0.02 0.30 0.42 -1.49 1.06 0.00 0.00 176.91 177.18 1p81 h TRP 255 N 0.46 0.81 -0.70 -0.22 4.06 -1.15 -1.75 115.95 117.46 1p81 h TRP 255 Ca 0.16 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.07 1p81 h TRP 255 Cb 0.02 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 27.88 1p81 h TRP 255 CO -0.08 0.51 0.19 0.00 -3.56 0.00 0.00 178.44 175.51 1p81 h ALA 256 N 1.23 1.02 0.00 1.49 0.00 -0.50 -2.69 119.26 119.81 1p81 h ALA 256 Ca 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1p81 h ALA 256 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1p81 h ALA 256 CO -0.05 0.65 -0.09 0.52 0.00 0.00 0.00 179.25 180.27 1p81 h MET 257 N 1.05 0.00 -7.58 0.00 2.86 -0.88 -3.34 114.93 107.05 1p81 h MET 257 Ca 0.22 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.43 1p81 h MET 257 Cb 0.33 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.16 1p81 h MET 257 CO -0.00 0.09 0.28 -1.54 1.06 0.00 0.00 176.91 176.80 1p81 s SER 258 N -5.95 2.26 0.00 1.22 1.04 -0.68 -4.12 113.70 107.48 1p81 s SER 258 Ca 0.02 0.57 0.12 0.00 0.48 0.00 0.00 55.95 57.13 1p81 s SER 258 Cb 0.09 -0.80 0.54 0.00 0.10 0.00 0.00 66.02 65.95 1p81 s SER 258 CO 0.60 -3.29 1.33 0.47 0.98 0.00 0.00 173.24 173.33 1p81 n ASP 259 N -4.19 0.00 0.03 7.02 10.43 -1.26 -1.85 116.55 126.73 1p81 n ASP 259 Ca 0.13 0.33 0.07 0.00 2.57 0.00 0.00 54.79 57.88 1p81 n ASP 259 Cb 0.59 -0.40 0.48 0.00 1.84 0.00 0.00 41.12 43.63 1p81 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p81 h ARG 260 N 0.00 0.40 0.00 -1.24 2.47 -1.88 -2.13 114.38 112.00 1p81 h ARG 260 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1p81 h ARG 260 Cb 0.16 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1p81 h ARG 260 CO 0.00 0.27 0.00 0.41 0.56 0.00 0.00 179.97 181.21 1p81 n GLY 261 N -1.50 -0.90 2.31 0.04 0.00 -0.77 -4.02 105.19 100.34 1p81 n GLY 261 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1p81 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p81 n ILE 262 N -1.57 -0.17 -1.96 -0.61 -5.35 -0.80 -1.23 119.36 107.66 1p81 n ILE 262 Ca 0.02 -4.14 -0.35 0.00 -0.27 0.00 0.00 62.75 58.01 1p81 n ILE 262 Cb 0.13 -1.93 0.04 0.00 -1.74 0.00 0.00 39.64 36.13 1p81 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p81 s PRO 263 N -1.17 2.91 0.29 6.28 0.04 -1.26 -0.96 135.00 141.13 1p81 s PRO 263 Ca 0.35 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.25 1p81 s PRO 263 Cb 0.13 -1.93 0.42 0.00 0.04 0.00 0.00 34.50 33.16 1p81 s PRO 263 CO -0.11 -1.24 1.66 -0.09 0.04 0.00 0.00 177.00 177.25 1p81 h ARG 264 N 0.73 0.09 -2.15 4.56 9.65 -1.61 -3.40 114.38 122.25 1p81 h ARG 264 Ca -0.50 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.38 1p81 h ARG 264 Cb 1.29 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.70 1p81 h ARG 264 CO 0.55 0.60 0.41 0.45 2.80 0.00 0.00 179.97 184.78 1p81 s SER 265 N -6.88 -0.45 0.59 -3.80 0.15 -1.26 -4.94 113.70 97.10 1p81 s SER 265 Ca -0.03 0.23 0.34 0.00 0.70 0.00 0.00 55.95 57.19 1p81 s SER 265 Cb 0.13 0.42 1.83 0.00 -1.71 0.00 0.00 66.02 66.69 1p81 s SER 265 CO 0.76 -0.60 2.20 1.88 1.20 0.00 0.00 173.24 178.69 1p81 h TYR 266 N 2.32 0.00 0.00 3.44 0.05 -1.90 -1.21 116.97 119.66 1p81 h TYR 266 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1p81 h TYR 266 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1p81 h TYR 266 CO 0.28 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.43 1p81 h ARG 267 N 0.00 0.00 -0.71 4.88 3.08 -1.96 -3.32 114.38 116.36 1p81 h ARG 267 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1p81 h ARG 267 Cb 0.16 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.85 1p81 h ARG 267 CO 0.01 0.00 -0.54 0.25 -1.07 0.00 0.00 179.97 178.61 1p81 n THR 268 N -2.69 2.65 -4.18 2.04 -2.24 -0.46 -4.29 114.28 105.11 1p81 n THR 268 Ca 0.03 -3.92 -0.12 0.00 -2.27 0.00 0.00 64.05 57.77 1p81 n THR 268 Cb 0.38 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 1p81 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s MET 269 N -3.59 0.87 0.56 -0.78 0.23 -1.25 -1.70 119.30 113.65 1p81 s MET 269 Ca 0.52 -1.30 -0.05 0.00 -1.03 0.00 0.00 55.69 53.83 1p81 s MET 269 Cb 0.42 -0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 1p81 s MET 269 CO 0.02 0.02 0.86 -1.21 -2.03 0.00 0.00 175.02 172.68 1p81 s GLU 270 N -3.52 2.94 0.03 3.16 2.02 -1.26 -4.25 118.70 117.83 1p81 s GLU 270 Ca 0.11 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 55.05 1p81 s GLU 270 Cb 0.02 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 1p81 s GLU 270 CO -0.02 -0.62 -0.15 0.20 0.02 0.00 0.00 175.26 174.68 1p81 s GLY 271 N -4.29 0.84 -0.01 -1.39 0.00 -0.62 -4.21 107.32 97.65 1p81 s GLY 271 Ca 0.53 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 1p81 s GLY 271 CO 0.44 -0.80 0.09 -1.36 0.00 0.00 0.00 173.10 171.47 1p81 s PHE 272 N -0.77 0.05 -0.51 1.90 0.08 0.10 -0.52 117.98 118.31 1p81 s PHE 272 Ca 0.03 -0.11 0.24 0.00 0.12 0.00 0.00 56.93 57.21 1p81 s PHE 272 Cb -0.08 -0.06 0.41 0.00 -0.57 0.00 0.00 43.02 42.73 1p81 s PHE 272 CO 0.01 -0.20 1.52 0.78 -0.10 0.00 0.00 175.22 177.23 1p81 h GLY 273 N 4.81 0.00 0.00 4.36 0.00 -1.59 -0.94 103.07 109.71 1p81 h GLY 273 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1p81 h GLY 273 CO 0.41 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.34 1p81 n ILE 274 N -2.67 0.00 -2.14 2.60 5.41 -1.26 -4.81 119.36 116.48 1p81 n ILE 274 Ca 0.04 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.46 1p81 n ILE 274 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1p81 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p81 s HIS 275 N 0.00 3.02 -0.18 1.39 3.76 -1.26 -4.89 115.29 117.13 1p81 s HIS 275 Ca 0.00 1.52 -0.28 0.00 -0.15 0.00 0.00 55.06 56.15 1p81 s HIS 275 Cb 0.00 -3.01 -0.01 0.00 1.11 0.00 0.00 32.58 30.68 1p81 s HIS 275 CO 0.00 -1.03 0.94 0.99 -0.85 0.00 0.00 174.74 174.79 1p81 s THR 276 N -2.39 4.79 0.13 1.30 2.01 -1.26 -4.54 115.64 115.68 1p81 s THR 276 Ca 0.64 1.87 0.01 0.00 0.31 0.00 0.00 61.69 64.52 1p81 s THR 276 Cb -0.16 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1p81 s THR 276 CO 0.34 -0.05 0.09 0.49 -0.69 0.00 0.00 174.62 174.80 1p81 n PHE 277 N 5.56 -1.14 -4.75 4.92 3.72 0.33 -4.29 117.46 121.81 1p81 n PHE 277 Ca 0.08 -0.56 -0.27 0.00 -0.05 0.00 0.00 57.45 56.65 1p81 n PHE 277 Cb 0.48 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.77 1p81 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p81 s ARG 278 N -2.53 1.54 -0.11 -1.08 0.52 -0.37 -1.18 118.95 115.74 1p81 s ARG 278 Ca 0.07 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1p81 s ARG 278 Cb -0.01 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1p81 s ARG 278 CO 0.04 0.43 0.04 -0.51 0.02 0.00 0.00 175.30 175.32 1p81 s LEU 279 N -1.19 3.78 -0.14 2.53 1.43 0.28 -0.79 118.68 124.58 1p81 s LEU 279 Ca 0.09 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1p81 s LEU 279 Cb -0.09 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1p81 s LEU 279 CO 0.02 0.36 -0.19 -0.63 0.23 0.00 0.00 176.35 176.13 1p81 s ILE 280 N -0.73 1.86 0.61 -0.59 -1.09 0.01 -0.68 121.20 120.59 1p81 s ILE 280 Ca 0.12 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1p81 s ILE 280 Cb -0.12 -1.67 0.09 0.00 -1.58 0.00 0.00 42.46 39.18 1p81 s ILE 280 CO 0.02 0.51 0.85 0.54 -1.23 0.00 0.00 174.94 175.63 1p81 s ASN 281 N 1.00 4.88 0.50 3.58 2.20 -0.86 -1.54 114.94 124.69 1p81 s ASN 281 Ca -0.04 -0.53 0.18 0.00 -0.94 0.00 0.00 52.86 51.54 1p81 s ASN 281 Cb -0.15 -0.05 1.24 0.00 -2.00 0.00 0.00 41.25 40.29 1p81 s ASN 281 CO -0.04 -1.47 2.05 0.00 -2.94 0.00 0.00 177.10 174.70 1p81 h ALA 282 N -0.06 2.17 0.00 3.54 0.00 -1.88 -0.98 119.26 122.04 1p81 h ALA 282 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1p81 h ALA 282 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p81 h ALA 282 CO 0.42 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.81 1p81 n GLU 283 N -4.46 0.72 -0.73 0.00 4.71 -1.26 -4.78 120.64 114.84 1p81 n GLU 283 Ca 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1p81 n GLU 283 Cb 0.33 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1p81 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p81 n GLY 284 N 0.95 0.68 3.73 0.62 0.00 -0.37 -5.04 105.19 105.75 1p81 n GLY 284 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1p81 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 285 N -0.27 4.64 -0.16 1.61 2.20 -1.26 -4.81 119.74 121.69 1p81 s LYS 285 Ca 0.00 1.57 -0.08 0.00 -0.36 0.00 0.00 55.97 57.09 1p81 s LYS 285 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1p81 s LYS 285 CO 0.00 0.13 0.12 0.00 -0.36 0.00 0.00 175.35 175.24 1p81 s ALA 286 N -0.01 3.72 -0.09 3.13 0.00 -1.26 -2.03 121.76 125.21 1p81 s ALA 286 Ca 0.49 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1p81 s ALA 286 Cb -0.26 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1p81 s ALA 286 CO 0.32 0.35 -0.22 0.99 0.00 0.00 0.00 175.76 177.20 1p81 s THR 287 N -0.21 1.92 0.37 0.00 2.01 0.14 -4.23 115.64 115.63 1p81 s THR 287 Ca 0.10 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 1p81 s THR 287 Cb -0.12 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 1p81 s THR 287 CO 0.01 0.53 1.20 -0.36 -0.69 0.00 0.00 174.62 175.30 1p81 s PHE 288 N 0.35 3.12 -0.06 4.92 0.08 -0.44 -0.55 117.98 125.40 1p81 s PHE 288 Ca -0.17 1.54 -0.04 0.00 0.12 0.00 0.00 56.93 58.37 1p81 s PHE 288 Cb -0.17 -3.45 0.02 0.00 -0.57 0.00 0.00 43.02 38.84 1p81 s PHE 288 CO 0.08 -1.37 0.14 0.54 -0.10 0.00 0.00 175.22 174.51 1p81 s VAL 289 N -1.31 -0.01 -0.11 -0.44 0.11 -0.33 -1.09 120.40 117.22 1p81 s VAL 289 Ca 0.54 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.64 1p81 s VAL 289 Cb -0.33 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1p81 s VAL 289 CO 0.42 0.01 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.89 1p81 s ARG 290 N 0.29 3.13 0.03 1.54 0.52 -0.60 -0.51 118.95 123.35 1p81 s ARG 290 Ca -0.02 -0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 54.20 1p81 s ARG 290 Cb -0.03 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 32.94 1p81 s ARG 290 CO -0.01 0.23 0.59 -0.06 0.02 0.00 0.00 175.30 176.07 1p81 s PHE 291 N 0.25 3.73 0.09 -0.53 0.08 -1.26 -1.42 117.98 118.92 1p81 s PHE 291 Ca -0.13 1.23 0.06 0.00 0.12 0.00 0.00 56.93 58.21 1p81 s PHE 291 Cb -0.16 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1p81 s PHE 291 CO 0.07 0.44 -0.16 -1.01 -0.10 0.00 0.00 175.22 174.46 1p81 s HIS 292 N -0.54 1.38 -0.09 0.36 3.76 -0.06 -1.59 115.29 118.51 1p81 s HIS 292 Ca 0.30 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1p81 s HIS 292 Cb -0.19 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.76 1p81 s HIS 292 CO 0.18 0.11 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.46 1p81 s TRP 293 N -1.43 1.79 -0.21 1.40 0.52 0.33 -0.60 118.94 120.75 1p81 s TRP 293 Ca 0.02 -0.79 -0.07 0.00 0.02 0.00 0.00 56.10 55.28 1p81 s TRP 293 Cb -0.09 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1p81 s TRP 293 CO 0.03 -0.41 0.05 0.21 0.02 0.00 0.00 176.95 176.85 1p81 s LYS 294 N 0.91 3.79 -0.27 4.98 2.20 -0.33 -1.58 119.74 129.44 1p81 s LYS 294 Ca -0.09 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 1p81 s LYS 294 Cb -0.15 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1p81 s LYS 294 CO 0.00 0.05 1.51 -1.25 -0.36 0.00 0.00 175.35 175.31 1p81 s PRO 295 N 0.96 3.79 0.27 4.03 0.04 -1.26 -0.63 135.00 142.19 1p81 s PRO 295 Ca 0.03 1.46 0.24 0.00 0.04 0.00 0.00 61.00 62.77 1p81 s PRO 295 Cb -0.14 -4.00 1.00 0.00 0.04 0.00 0.00 34.50 31.40 1p81 s PRO 295 CO 0.03 -1.30 1.72 1.28 0.04 0.00 0.00 177.00 178.77 1p81 n LEU 296 N 8.33 0.70 -0.17 -3.56 4.77 -0.45 -1.46 117.00 125.16 1p81 n LEU 296 Ca 0.18 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.98 1p81 n LEU 296 Cb 0.46 -0.58 0.78 0.00 -2.33 0.00 0.00 43.42 41.75 1p81 n LEU 296 CO 0.65 -0.58 1.02 0.00 -1.33 0.00 0.00 177.39 177.15 1p81 n ALA 297 N -1.79 2.65 0.00 -1.18 0.00 -1.26 -4.95 120.51 113.98 1p81 n ALA 297 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1p81 n ALA 297 Cb 0.23 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1p81 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 298 N 1.08 -0.37 3.70 0.00 0.00 -0.53 -3.95 105.19 105.11 1p81 n GLY 298 Ca 0.22 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1p81 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p81 s LYS 299 N -1.53 4.18 -0.20 1.61 1.02 -1.26 -4.20 119.74 119.36 1p81 s LYS 299 Ca 0.00 -0.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 1p81 s LYS 299 Cb 0.00 -3.48 0.05 0.00 -0.52 0.00 0.00 37.83 33.88 1p81 s LYS 299 CO 0.00 0.13 0.52 0.00 -0.92 0.00 0.00 175.35 175.08 1p81 s ALA 300 N 0.81 -1.29 0.13 5.17 0.00 -0.69 -4.91 121.76 120.98 1p81 s ALA 300 Ca 0.13 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.62 1p81 s ALA 300 Cb -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1p81 s ALA 300 CO 0.04 -0.25 -0.06 -1.12 0.00 0.00 0.00 175.76 174.37 1p81 s SER 301 N 0.37 1.37 1.02 0.00 0.01 -1.26 -1.74 113.70 113.47 1p81 s SER 301 Ca -0.01 -1.05 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 1p81 s SER 301 Cb -0.04 0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.37 1p81 s SER 301 CO -0.00 -0.45 0.59 0.18 0.41 0.00 0.00 173.24 173.97 1p81 n LEU 302 N -0.14 0.00 -4.52 2.44 4.77 -0.13 -4.67 117.00 114.75 1p81 n LEU 302 Ca -0.10 -0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 54.95 1p81 n LEU 302 Cb 0.61 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1p81 n LEU 302 CO 0.32 -1.06 -0.46 0.68 -1.33 0.00 0.00 177.39 175.54 1p81 s VAL 303 N -2.26 2.96 0.15 4.08 -7.23 -1.26 -4.93 120.40 111.91 1p81 s VAL 303 Ca 0.34 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 1p81 s VAL 303 Cb -0.01 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.56 1p81 s VAL 303 CO 0.25 -0.00 1.71 -0.25 -0.31 0.00 0.00 175.10 176.49 1p81 h TRP 304 N 3.35 -0.01 -0.85 2.82 2.91 -1.97 -1.57 115.95 120.63 1p81 h TRP 304 Ca -0.48 0.02 0.07 0.00 1.13 0.00 0.00 58.89 59.63 1p81 h TRP 304 Cb 1.19 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.84 1p81 h TRP 304 CO 0.63 -0.06 0.56 0.22 -1.03 0.00 0.00 178.44 178.76 1p81 h ASP 305 N 0.10 0.82 -0.03 2.65 1.82 -1.99 0.72 116.42 120.51 1p81 h ASP 305 Ca 0.16 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1p81 h ASP 305 Cb 0.22 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1p81 h ASP 305 CO -0.27 0.52 -0.00 -0.08 -1.61 0.00 0.00 179.24 177.80 1p81 h GLU 306 N 0.93 0.05 -0.50 0.28 4.81 -1.85 -1.88 114.58 116.42 1p81 h GLU 306 Ca 0.37 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1p81 h GLU 306 Cb 0.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1p81 h GLU 306 CO -0.14 0.38 0.31 0.00 -0.73 0.00 0.00 179.01 178.83 1p81 h ALA 307 N 0.67 0.64 -0.49 2.92 0.00 -0.80 0.36 119.26 122.56 1p81 h ALA 307 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1p81 h ALA 307 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1p81 h ALA 307 CO 0.00 0.11 0.10 0.37 0.00 0.00 0.00 179.25 179.83 1p81 h GLN 308 N 0.67 0.80 -0.11 0.00 4.15 -0.87 -1.47 115.11 118.28 1p81 h GLN 308 Ca 0.18 -0.20 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 1p81 h GLN 308 Cb -0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1p81 h GLN 308 CO -0.04 0.79 -0.54 -0.22 -1.93 0.00 0.00 178.83 176.89 1p81 h LYS 309 N 0.67 0.32 0.00 1.69 3.64 -1.09 -2.25 116.57 119.55 1p81 h LYS 309 Ca 0.15 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1p81 h LYS 309 Cb 0.36 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1p81 h LYS 309 CO 0.01 0.78 -0.20 1.25 -2.27 0.00 0.00 179.45 179.02 1p81 h LEU 310 N 0.25 0.00 -1.79 5.20 5.85 -0.64 -0.38 115.31 123.80 1p81 h LEU 310 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1p81 h LEU 310 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1p81 h LEU 310 CO 0.09 0.20 -0.14 0.71 -0.34 0.00 0.00 178.44 178.96 1p81 h THR 311 N 0.00 0.60 0.04 1.05 1.35 -0.64 0.21 112.91 115.52 1p81 h THR 311 Ca -0.00 -0.63 -0.26 0.00 -0.55 0.00 0.00 66.41 64.96 1p81 h THR 311 Cb 0.57 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1p81 h THR 311 CO 0.03 0.14 -1.41 1.23 -0.25 0.00 0.00 175.52 175.25 1p81 h GLY 312 N 1.01 0.10 1.60 5.82 0.00 -1.16 -3.28 103.07 107.15 1p81 h GLY 312 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1p81 h GLY 312 CO 0.02 0.22 -0.20 3.21 0.00 0.00 0.00 176.54 179.78 1p81 h ARG 313 N -0.68 0.48 -1.47 4.80 2.47 -1.20 -3.40 114.38 115.37 1p81 h ARG 313 Ca -0.35 -0.16 -0.24 0.00 -1.26 0.00 0.00 59.98 57.96 1p81 h ARG 313 Cb 1.51 -0.04 -0.24 0.00 -1.65 0.00 0.00 29.97 29.55 1p81 h ARG 313 CO -0.11 0.66 -0.60 0.34 0.56 0.00 0.00 179.97 180.82 1p81 s ASP 314 N -6.80 -0.27 0.43 7.04 2.15 0.06 -5.00 116.67 114.28 1p81 s ASP 314 Ca -0.07 -1.52 0.30 0.00 0.43 0.00 0.00 52.55 51.69 1p81 s ASP 314 Cb 0.14 1.21 1.54 0.00 -0.30 0.00 0.00 42.92 45.51 1p81 s ASP 314 CO 0.78 -0.17 1.90 1.55 -0.17 0.00 0.00 175.17 179.06 1p81 h PRO 315 N 6.42 0.00 -0.71 4.34 0.13 -1.62 -2.12 132.00 138.44 1p81 h PRO 315 Ca 0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.93 1p81 h PRO 315 Cb 1.09 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.06 1p81 h PRO 315 CO 0.14 0.00 0.30 -0.25 -0.23 0.00 0.00 178.00 177.96 1p81 n ASP 316 N -2.55 4.05 -0.16 1.44 8.00 -1.26 -0.14 116.55 125.92 1p81 n ASP 316 Ca -0.01 -3.41 -0.06 0.00 0.71 0.00 0.00 54.79 52.02 1p81 n ASP 316 Cb 0.09 -0.74 0.03 0.00 -0.02 0.00 0.00 41.12 40.49 1p81 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p81 h PHE 317 N 1.84 0.51 -0.28 1.24 3.04 -1.72 -0.10 116.94 121.47 1p81 h PHE 317 Ca 0.34 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.13 1p81 h PHE 317 Cb 2.30 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 40.65 1p81 h PHE 317 CO 1.27 0.29 -0.51 0.45 -2.02 0.00 0.00 178.31 177.78 1p81 h HIS 318 N 0.55 1.06 -0.52 0.41 3.86 -1.87 -0.60 115.15 118.03 1p81 h HIS 318 Ca 0.20 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1p81 h HIS 318 Cb 0.04 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1p81 h HIS 318 CO -0.08 1.20 0.33 -0.09 0.86 0.00 0.00 177.93 180.15 1p81 h ARG 319 N 0.62 0.70 -0.13 2.45 2.43 -1.85 -0.91 114.38 117.68 1p81 h ARG 319 Ca 0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1p81 h ARG 319 Cb 1.12 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1p81 h ARG 319 CO 0.12 0.49 0.03 -0.09 -1.51 0.00 0.00 179.97 179.00 1p81 h ARG 320 N 0.71 0.22 -0.33 0.20 2.43 -0.95 -2.24 114.38 114.41 1p81 h ARG 320 Ca 0.19 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1p81 h ARG 320 Cb -0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1p81 h ARG 320 CO -0.04 0.37 -0.11 1.49 -1.51 0.00 0.00 179.97 180.17 1p81 h GLU 321 N 0.02 0.56 0.28 0.20 4.22 -0.96 0.11 114.58 119.01 1p81 h GLU 321 Ca 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 1p81 h GLU 321 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1p81 h GLU 321 CO 0.00 0.67 -0.14 1.25 -2.18 0.00 0.00 179.01 178.61 1p81 h LEU 322 N 0.52 -0.32 -0.35 1.64 5.85 -1.10 -0.40 115.31 121.14 1p81 h LEU 322 Ca 0.10 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1p81 h LEU 322 Cb 0.50 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1p81 h LEU 322 CO 0.03 -0.06 0.23 -0.25 -0.34 0.00 0.00 178.44 178.05 1p81 h TRP 323 N -0.60 0.43 -0.30 1.25 2.91 -1.13 -2.10 115.95 116.42 1p81 h TRP 323 Ca -0.04 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 59.90 1p81 h TRP 323 Cb 0.43 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1p81 h TRP 323 CO -0.00 0.27 -0.22 0.93 -1.03 0.00 0.00 178.44 178.39 1p81 h GLU 324 N 0.47 0.56 0.06 2.65 5.08 -0.80 -1.42 114.58 121.17 1p81 h GLU 324 Ca 0.13 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1p81 h GLU 324 Cb -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1p81 h GLU 324 CO -0.03 0.74 -0.13 0.00 -1.00 0.00 0.00 179.01 178.59 1p81 h ALA 325 N 1.27 -0.19 -0.49 3.43 0.00 -0.75 -0.14 119.26 122.38 1p81 h ALA 325 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1p81 h ALA 325 Cb 0.65 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1p81 h ALA 325 CO 0.05 -0.64 0.30 0.82 0.00 0.00 0.00 179.25 179.78 1p81 h ILE 326 N -0.24 1.07 0.00 0.00 2.04 -1.21 0.83 117.51 119.99 1p81 h ILE 326 Ca 0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1p81 h ILE 326 Cb 0.27 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1p81 h ILE 326 CO -0.09 0.11 -0.11 -0.33 0.00 0.00 0.00 178.15 177.74 1p81 h GLU 327 N 0.61 0.00 -0.00 2.37 5.08 -0.94 -2.24 114.58 119.45 1p81 h GLU 327 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1p81 h GLU 327 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1p81 h GLU 327 CO -0.07 0.11 -0.25 0.00 -1.00 0.00 0.00 179.01 177.79 1p81 n ALA 328 N -2.40 2.97 -0.33 3.43 0.00 -0.09 -2.02 120.51 122.07 1p81 n ALA 328 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1p81 n ALA 328 Cb 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1p81 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 329 N 1.48 0.74 2.41 0.00 0.00 -0.84 -4.54 105.19 104.44 1p81 n GLY 329 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1p81 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 330 N 0.00 7.83 -4.65 1.61 10.43 0.24 -4.96 116.55 127.05 1p81 n ASP 330 Ca 0.00 -2.98 -0.48 0.00 2.57 0.00 0.00 54.79 53.90 1p81 n ASP 330 Cb 0.00 -1.39 -0.05 0.00 1.84 0.00 0.00 41.12 41.52 1p81 n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p81 n PHE 331 N 2.06 2.04 -1.69 1.24 0.99 -1.26 -4.37 117.46 116.47 1p81 n PHE 331 Ca 0.63 0.38 -0.42 0.00 -0.00 0.00 0.00 57.45 58.04 1p81 n PHE 331 Cb 0.33 -2.48 -0.03 0.00 -1.00 0.00 0.00 39.48 36.29 1p81 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1p81 n PRO 332 N 3.28 2.79 -5.04 -1.08 -0.02 -1.23 -4.75 135.00 128.95 1p81 n PRO 332 Ca 0.18 1.01 -0.30 0.00 -2.02 0.00 0.00 63.50 62.38 1p81 n PRO 332 Cb 0.26 -2.91 -0.17 0.00 -0.02 0.00 0.00 33.50 30.66 1p81 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 333 N 2.75 2.49 0.02 -0.52 2.02 -1.26 -0.89 118.70 123.30 1p81 s GLU 333 Ca 0.82 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 55.10 1p81 s GLU 333 Cb -0.48 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 1p81 s GLU 333 CO 0.37 0.20 -0.12 0.71 0.02 0.00 0.00 175.26 176.44 1p81 s TYR 334 N 0.26 1.10 -0.27 1.61 2.02 0.10 -1.33 117.35 120.83 1p81 s TYR 334 Ca -0.13 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.18 1p81 s TYR 334 Cb -0.16 -0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 40.68 1p81 s TYR 334 CO 0.06 0.00 0.16 -2.00 -1.57 0.00 0.00 175.55 172.21 1p81 s GLU 335 N -0.76 3.91 0.12 -0.62 2.12 0.20 -0.43 118.70 123.24 1p81 s GLU 335 Ca 0.02 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 1p81 s GLU 335 Cb -0.06 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 1p81 s GLU 335 CO 0.00 -0.15 1.09 -1.17 -0.54 0.00 0.00 175.26 174.49 1p81 s LEU 336 N 1.64 4.45 0.05 2.70 2.96 0.53 -1.18 118.68 129.84 1p81 s LEU 336 Ca 0.07 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1p81 s LEU 336 Cb -0.16 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1p81 s LEU 336 CO 0.09 -0.25 -0.05 -0.83 -1.32 0.00 0.00 176.35 173.99 1p81 s GLY 337 N 0.27 0.49 -0.06 7.98 0.00 0.24 -0.40 107.32 115.85 1p81 s GLY 337 Ca 0.51 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1p81 s GLY 337 CO 0.32 -1.13 -0.19 -1.36 0.00 0.00 0.00 173.10 170.75 1p81 s PHE 338 N -2.91 1.93 -0.25 1.90 2.99 -0.04 -0.88 117.98 120.72 1p81 s PHE 338 Ca 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 56.93 56.16 1p81 s PHE 338 Cb 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 43.02 41.69 1p81 s PHE 338 CO -0.05 -0.22 0.45 -0.65 -0.00 0.00 0.00 175.22 174.75 1p81 s GLN 339 N 0.11 4.07 -0.12 0.44 -0.21 -0.51 0.07 119.66 123.50 1p81 s GLN 339 Ca -0.07 0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.52 1p81 s GLN 339 Cb -0.13 -3.64 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1p81 s GLN 339 CO 0.03 -0.28 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.28 1p81 s LEU 340 N 2.08 2.72 -0.07 2.90 2.01 -1.26 -1.55 118.68 125.51 1p81 s LEU 340 Ca 0.19 -0.31 -0.00 0.00 0.01 0.00 0.00 54.13 54.01 1p81 s LEU 340 Cb -0.16 -1.60 0.02 0.00 0.01 0.00 0.00 46.19 44.46 1p81 s LEU 340 CO 0.09 0.19 -0.03 -0.63 1.01 0.00 0.00 176.35 176.98 1p81 s ILE 341 N 0.22 0.55 0.58 -0.59 1.01 -0.25 -4.98 121.20 117.74 1p81 s ILE 341 Ca -0.08 -0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 1p81 s ILE 341 Cb -0.15 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1p81 s ILE 341 CO 0.05 0.26 1.35 -2.84 0.00 0.00 0.00 174.94 173.76 1p81 s PRO 342 N 1.45 2.95 0.27 2.79 0.02 -1.26 -1.33 135.00 139.89 1p81 s PRO 342 Ca -0.02 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1p81 s PRO 342 Cb -0.13 -2.14 0.56 0.00 0.02 0.00 0.00 34.50 32.82 1p81 s PRO 342 CO -0.03 -1.33 1.78 1.49 -0.33 0.00 0.00 177.00 178.58 1p81 h GLU 343 N 1.18 0.70 0.00 5.54 4.81 -1.96 0.29 114.58 125.13 1p81 h GLU 343 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1p81 h GLU 343 Cb 1.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1p81 h GLU 343 CO 0.56 0.46 0.00 0.39 -0.73 0.00 0.00 179.01 179.69 1p81 n GLU 344 N -4.80 0.10 -0.48 1.92 4.71 -1.26 -2.00 120.64 118.82 1p81 n GLU 344 Ca 0.18 0.44 0.10 0.00 -0.01 0.00 0.00 57.16 57.88 1p81 n GLU 344 Cb 0.44 -1.73 0.33 0.00 -1.01 0.00 0.00 31.44 29.47 1p81 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1p81 n ASP 345 N -1.93 4.30 -0.27 1.62 9.92 0.09 -4.65 116.55 125.63 1p81 n ASP 345 Ca 0.01 -2.22 0.09 0.00 -0.53 0.00 0.00 54.79 52.14 1p81 n ASP 345 Cb 0.13 -0.52 0.23 0.00 -0.64 0.00 0.00 41.12 40.32 1p81 n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1p81 h GLU 346 N 4.08 0.22 -0.58 -1.24 4.81 -1.48 -2.24 114.58 118.14 1p81 h GLU 346 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1p81 h GLU 346 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1p81 h GLU 346 CO 0.11 0.14 0.00 1.19 -0.73 0.00 0.00 179.01 179.72 1p81 n PHE 347 N -5.21 1.81 1.43 0.92 3.01 -1.26 -4.48 117.46 113.68 1p81 n PHE 347 Ca 0.17 -0.70 0.12 0.00 1.01 0.00 0.00 57.45 58.05 1p81 n PHE 347 Cb 0.56 -0.41 0.48 0.00 -0.01 0.00 0.00 39.48 40.10 1p81 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p81 n LYS 348 N 0.70 1.61 -3.97 -1.08 5.02 -0.84 -4.90 118.16 114.70 1p81 n LYS 348 Ca 0.27 -0.91 -0.22 0.00 -2.02 0.00 0.00 58.31 55.43 1p81 n LYS 348 Cb 1.08 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.61 1p81 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p81 s PHE 349 N -1.90 2.81 0.34 2.13 0.40 -1.26 -5.01 117.98 115.49 1p81 s PHE 349 Ca 0.35 -0.34 0.38 0.00 -0.60 0.00 0.00 56.93 56.72 1p81 s PHE 349 Cb 0.19 -1.70 1.79 0.00 0.51 0.00 0.00 43.02 43.81 1p81 s PHE 349 CO 0.29 0.27 2.14 -0.44 0.70 0.00 0.00 175.22 178.19 1p81 h ASP 350 N 1.41 0.00 -2.10 1.36 3.45 -1.96 -3.44 116.42 115.15 1p81 h ASP 350 Ca -0.44 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.44 1p81 h ASP 350 Cb 1.25 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.91 1p81 h ASP 350 CO 0.61 0.01 -0.66 0.72 -1.57 0.00 0.00 179.24 178.35 1p81 s PHE 351 N -3.89 2.55 0.03 4.55 -0.12 -1.26 -5.05 117.98 114.80 1p81 s PHE 351 Ca -0.02 -0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.24 1p81 s PHE 351 Cb 0.11 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.19 1p81 s PHE 351 CO 0.49 0.58 0.97 0.34 -0.05 0.00 0.00 175.22 177.55 1p81 s ASP 352 N -3.66 7.40 0.60 1.98 3.68 -1.26 -4.93 116.67 120.48 1p81 s ASP 352 Ca 0.32 1.69 0.37 0.00 2.13 0.00 0.00 52.55 57.07 1p81 s ASP 352 Cb -0.04 -2.57 1.90 0.00 -1.45 0.00 0.00 42.92 40.76 1p81 s ASP 352 CO 0.19 -0.19 2.20 -0.07 0.13 0.00 0.00 175.17 177.42 1p81 h LEU 353 N 6.41 0.00 -1.97 -1.34 3.38 -1.96 -2.27 115.31 117.57 1p81 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1p81 h LEU 353 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1p81 h LEU 353 CO 0.74 0.02 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1p81 n LEU 354 N -3.23 2.90 -4.56 1.67 4.77 -1.26 -4.40 117.00 112.90 1p81 n LEU 354 Ca -0.02 -1.34 -0.41 0.00 -0.03 0.00 0.00 56.01 54.21 1p81 n LEU 354 Cb 0.17 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 1p81 n LEU 354 CO 0.24 0.67 0.20 -0.62 -1.33 0.00 0.00 177.39 176.56 1p81 s ASP 355 N -1.27 6.31 0.00 -1.43 3.68 -0.85 -4.33 116.67 118.78 1p81 s ASP 355 Ca 0.37 0.02 0.21 0.00 2.13 0.00 0.00 52.55 55.28 1p81 s ASP 355 Cb 0.20 -2.26 1.07 0.00 -1.45 0.00 0.00 42.92 40.49 1p81 s ASP 355 CO 0.28 -0.43 1.65 -0.81 0.13 0.00 0.00 175.17 175.98 1p81 n PRO 356 N 5.67 0.36 -0.07 4.34 -0.04 -1.26 -2.36 135.00 141.63 1p81 n PRO 356 Ca -0.05 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1p81 n PRO 356 Cb 0.49 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 1p81 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p81 n THR 357 N -1.23 0.19 -4.87 0.52 -2.24 -1.26 -0.88 114.28 104.50 1p81 n THR 357 Ca 0.11 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1p81 n THR 357 Cb 0.15 0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 1p81 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p81 s LYS 358 N -1.81 3.13 0.35 -0.78 -0.14 -1.00 -4.84 119.74 114.67 1p81 s LYS 358 Ca 0.34 -0.72 0.01 0.00 -1.36 0.00 0.00 55.97 54.24 1p81 s LYS 358 Cb 0.20 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1p81 s LYS 358 CO 0.29 0.30 0.55 -0.48 -0.76 0.00 0.00 175.35 175.26 1p81 s LEU 359 N 0.11 3.98 -0.43 3.17 0.05 -1.26 -4.84 118.68 119.47 1p81 s LEU 359 Ca -0.07 0.40 -0.13 0.00 0.05 0.00 0.00 54.13 54.38 1p81 s LEU 359 Cb -0.15 -3.27 0.05 0.00 -2.05 0.00 0.00 46.19 40.78 1p81 s LEU 359 CO 0.05 -0.33 0.31 -0.63 -0.55 0.00 0.00 176.35 175.19 1p81 s ILE 360 N -2.33 4.87 0.21 1.48 1.01 -1.26 -5.05 121.20 120.13 1p81 s ILE 360 Ca 0.41 -1.02 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 1p81 s ILE 360 Cb -0.10 -3.85 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1p81 s ILE 360 CO 0.36 -0.44 1.53 -2.65 0.00 0.00 0.00 174.94 173.74 1p81 n PRO 361 N 5.09 2.20 0.27 2.79 -0.02 -1.26 -4.86 135.00 139.21 1p81 n PRO 361 Ca -0.11 0.79 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 1p81 n PRO 361 Cb 0.45 -2.52 0.78 0.00 -0.02 0.00 0.00 33.50 32.19 1p81 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p81 h GLU 362 N 5.23 0.00 0.00 -0.52 5.08 -1.98 0.09 114.58 122.49 1p81 h GLU 362 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1p81 h GLU 362 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1p81 h GLU 362 CO 0.83 0.09 -0.16 0.93 -1.00 0.00 0.00 179.01 179.70 1p81 h GLU 363 N 0.00 0.00 0.11 2.33 4.39 -1.97 -3.07 114.58 116.37 1p81 h GLU 363 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1p81 h GLU 363 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1p81 h GLU 363 CO 0.01 0.16 -1.80 -0.07 -1.16 0.00 0.00 179.01 176.15 1p81 h LEU 364 N 0.00 0.36 -7.05 1.33 3.38 -1.36 -3.45 115.31 108.51 1p81 h LEU 364 Ca -0.00 -0.87 -0.52 0.00 0.09 0.00 0.00 57.88 56.58 1p81 h LEU 364 Cb 0.47 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 40.70 1p81 h LEU 364 CO 0.02 1.77 -0.76 -0.69 0.09 0.00 0.00 178.44 178.87 1p81 s VAL 365 N -2.52 0.28 0.77 1.22 1.01 -0.82 -5.07 120.40 115.27 1p81 s VAL 365 Ca -0.23 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1p81 s VAL 365 Cb 0.06 -1.04 0.06 0.00 0.00 0.00 0.00 36.38 35.46 1p81 s VAL 365 CO 0.75 -0.47 1.13 -2.16 0.00 0.00 0.00 175.10 174.34 1p81 s PRO 366 N 1.95 2.08 -0.18 2.72 0.05 -1.18 -4.19 135.00 136.25 1p81 s PRO 366 Ca 0.05 1.39 -0.21 0.00 0.05 0.00 0.00 61.00 62.28 1p81 s PRO 366 Cb -0.17 -1.86 -0.03 0.00 0.05 0.00 0.00 34.50 32.50 1p81 s PRO 366 CO -0.20 -1.81 0.65 0.08 0.05 0.00 0.00 177.00 175.77 1p81 s VAL 367 N -2.58 5.01 -0.19 -0.36 1.01 -1.26 -4.40 120.40 117.62 1p81 s VAL 367 Ca 0.66 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 1p81 s VAL 367 Cb -0.21 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1p81 s VAL 367 CO 0.52 0.12 0.52 -1.10 0.00 0.00 0.00 175.10 175.16 1p81 s GLN 368 N 1.81 4.20 0.22 2.72 -0.21 0.11 -4.81 119.66 123.70 1p81 s GLN 368 Ca 0.30 0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.80 1p81 s GLN 368 Cb -0.16 -3.55 -0.10 0.00 1.00 0.00 0.00 33.01 30.19 1p81 s GLN 368 CO 0.11 -0.13 1.54 1.03 -2.12 0.00 0.00 175.29 175.73 1p81 s ARG 369 N 1.57 4.21 0.00 2.91 0.52 -1.26 -0.86 118.95 126.03 1p81 s ARG 369 Ca 0.25 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1p81 s ARG 369 Cb -0.15 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1p81 s ARG 369 CO 0.10 -0.56 0.00 0.28 0.02 0.00 0.00 175.30 175.13 1p81 n VAL 370 N 3.14 0.00 -4.01 3.52 0.31 0.47 -4.91 118.33 116.86 1p81 n VAL 370 Ca 0.11 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1p81 n VAL 370 Cb 0.39 -0.58 0.01 0.00 -0.91 0.00 0.00 33.84 32.75 1p81 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p81 n GLY 371 N 3.30 0.21 3.17 2.92 0.00 -1.08 -1.10 105.19 112.62 1p81 n GLY 371 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 1p81 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 372 N -2.01 1.48 -0.09 1.61 2.20 -0.62 -0.35 119.74 121.97 1p81 s LYS 372 Ca 0.28 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1p81 s LYS 372 Cb -0.01 -1.42 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 1p81 s LYS 372 CO -0.01 0.38 -0.16 1.41 -0.36 0.00 0.00 175.35 176.61 1p81 s MET 373 N -0.40 2.93 -0.13 4.03 -2.45 0.43 -1.81 119.30 121.90 1p81 s MET 373 Ca 0.06 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.77 1p81 s MET 373 Cb -0.07 -2.44 0.02 0.00 1.25 0.00 0.00 34.83 33.58 1p81 s MET 373 CO -0.01 0.38 -0.15 0.08 1.05 0.00 0.00 175.02 176.37 1p81 s VAL 374 N -0.10 1.54 -0.43 10.11 1.01 -0.44 -0.73 120.40 131.37 1p81 s VAL 374 Ca -0.03 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1p81 s VAL 374 Cb -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1p81 s VAL 374 CO 0.04 0.45 0.53 -0.76 0.00 0.00 0.00 175.10 175.36 1p81 s LEU 375 N 1.23 4.74 -0.04 3.92 1.02 -0.07 -1.15 118.68 128.32 1p81 s LEU 375 Ca -0.01 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.64 1p81 s LEU 375 Cb -0.14 -2.52 0.10 0.00 0.02 0.00 0.00 46.19 43.65 1p81 s LEU 375 CO -0.06 -0.68 0.96 -0.46 0.02 0.00 0.00 176.35 176.13 1p81 n ASN 376 N 5.90 1.33 -3.68 2.29 6.94 -0.39 -3.48 115.26 124.17 1p81 n ASN 376 Ca -0.05 -2.20 -0.10 0.00 -0.02 0.00 0.00 54.58 52.21 1p81 n ASN 376 Cb 0.47 -0.19 -0.09 0.00 -2.36 0.00 0.00 39.78 37.61 1p81 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1p81 s ARG 377 N -1.24 0.57 0.59 -3.83 3.52 -1.03 -4.99 118.95 112.53 1p81 s ARG 377 Ca 0.11 0.92 -0.13 0.00 -0.13 0.00 0.00 55.73 56.50 1p81 s ARG 377 Cb 0.09 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 1p81 s ARG 377 CO 0.01 -0.13 1.02 -0.80 -0.81 0.00 0.00 175.30 174.59 1p81 s ASN 378 N 1.15 6.25 1.05 -2.12 0.01 -1.26 -0.80 114.94 119.22 1p81 s ASN 378 Ca -0.07 1.52 -0.12 0.00 -0.71 0.00 0.00 52.86 53.48 1p81 s ASN 378 Cb -0.06 -2.49 0.22 0.00 0.41 0.00 0.00 41.25 39.33 1p81 s ASN 378 CO -0.11 -0.85 1.07 -2.16 -1.51 0.00 0.00 177.10 173.54 1p81 s PRO 379 N -4.70 -0.02 -0.14 -0.60 0.04 -1.26 -3.48 135.00 124.84 1p81 s PRO 379 Ca 0.57 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 1p81 s PRO 379 Cb -0.11 -1.65 -0.24 0.00 0.04 0.00 0.00 34.50 32.53 1p81 s PRO 379 CO 0.45 -3.14 0.42 -0.44 0.04 0.00 0.00 177.00 174.33 1p81 h ASP 380 N -2.21 0.26 -3.23 6.66 5.19 -1.95 -0.97 116.42 120.17 1p81 h ASP 380 Ca -0.55 -0.78 -0.51 0.00 -0.62 0.00 0.00 57.03 54.57 1p81 h ASP 380 Cb 1.31 -0.08 -0.37 0.00 0.18 0.00 0.00 39.33 40.36 1p81 h ASP 380 CO 0.50 1.61 -0.79 0.21 -3.12 0.00 0.00 179.24 177.65 1p81 s ASN 381 N -6.95 2.21 0.13 6.45 3.84 -1.26 -4.62 114.94 114.73 1p81 s ASN 381 Ca -0.23 -0.34 -0.19 0.00 0.21 0.00 0.00 52.86 52.30 1p81 s ASN 381 Cb 0.05 -0.76 -0.03 0.00 -0.55 0.00 0.00 41.25 39.96 1p81 s ASN 381 CO 0.71 -0.15 1.74 0.15 -2.79 0.00 0.00 177.10 176.75 1p81 h PHE 382 N 8.20 0.07 0.27 0.43 3.57 -1.98 -2.32 116.94 125.18 1p81 h PHE 382 Ca -0.26 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1p81 h PHE 382 Cb 1.13 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1p81 h PHE 382 CO 0.46 0.02 -0.21 0.35 -2.23 0.00 0.00 178.31 176.71 1p81 h PHE 383 N 0.13 -0.54 -0.86 0.41 3.04 -1.96 0.26 116.94 117.42 1p81 h PHE 383 Ca 0.09 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1p81 h PHE 383 Cb 0.09 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 1p81 h PHE 383 CO -0.14 -0.31 0.43 0.00 -2.02 0.00 0.00 178.31 176.26 1p81 h ALA 384 N 0.21 1.10 0.00 2.41 0.00 -1.95 -1.83 119.26 119.20 1p81 h ALA 384 Ca -0.02 -0.15 -0.42 0.00 0.00 0.00 0.00 54.91 54.32 1p81 h ALA 384 Cb 0.42 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1p81 h ALA 384 CO -0.01 0.65 -2.48 0.39 0.00 0.00 0.00 179.25 177.80 1p81 n GLU 385 N -4.32 0.63 -0.04 0.00 1.02 -0.88 -4.28 120.64 112.76 1p81 n GLU 385 Ca 0.09 0.20 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 1p81 n GLU 385 Cb 0.13 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1p81 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p81 h ASN 386 N -0.38 0.00 -0.91 1.62 -0.73 -0.67 -3.22 115.58 111.28 1p81 h ASN 386 Ca -0.62 0.00 0.08 0.00 1.87 0.00 0.00 56.30 57.63 1p81 h ASN 386 Cb 1.79 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.31 1p81 h ASN 386 CO -0.21 0.40 0.57 -0.08 -0.37 0.00 0.00 177.43 177.73 1p81 h GLU 387 N -0.67 0.96 -0.00 6.67 4.57 -0.81 -1.92 114.58 123.38 1p81 h GLU 387 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1p81 h GLU 387 Cb 0.13 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1p81 h GLU 387 CO 0.00 0.64 -0.10 1.04 -1.18 0.00 0.00 179.01 179.41 1p81 n GLN 388 N -4.62 0.82 -1.89 1.92 6.02 -0.72 -4.92 117.38 114.00 1p81 n GLN 388 Ca 0.15 -0.30 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 1p81 n GLN 388 Cb 0.23 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.01 1p81 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p81 s ALA 389 N -2.38 3.21 -0.15 -1.58 0.00 -0.72 -4.89 121.76 115.26 1p81 s ALA 389 Ca 0.31 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1p81 s ALA 389 Cb 0.20 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1p81 s ALA 389 CO 0.45 -1.07 -0.11 0.00 0.00 0.00 0.00 175.76 175.03 1p81 s ALA 390 N -1.24 1.70 0.05 0.00 0.00 -1.26 -5.05 121.76 115.97 1p81 s ALA 390 Ca 0.60 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1p81 s ALA 390 Cb -0.41 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1p81 s ALA 390 CO 0.53 -0.47 -0.03 -0.06 0.00 0.00 0.00 175.76 175.73 1p81 s PHE 391 N 1.55 2.95 -0.23 0.00 0.08 -1.26 -5.00 117.98 116.07 1p81 s PHE 391 Ca 0.04 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 1p81 s PHE 391 Cb -0.13 -1.57 0.08 0.00 -0.57 0.00 0.00 43.02 40.82 1p81 s PHE 391 CO -0.10 0.44 0.55 -1.58 -0.10 0.00 0.00 175.22 174.44 1p81 s HIS 392 N -1.17 -0.88 -0.28 0.36 5.65 -1.26 -4.97 115.29 112.74 1p81 s HIS 392 Ca 0.22 1.76 0.24 0.00 0.25 0.00 0.00 55.06 57.53 1p81 s HIS 392 Cb -0.11 0.48 1.14 0.00 -1.18 0.00 0.00 32.58 32.91 1p81 s HIS 392 CO 0.13 -0.46 1.74 -1.00 -0.65 0.00 0.00 174.74 174.50 1p81 h PRO 393 N 7.21 0.00 0.00 2.88 0.13 -1.92 -1.16 132.00 139.14 1p81 h PRO 393 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1p81 h PRO 393 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p81 h PRO 393 CO 0.21 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.76 1p81 h GLY 394 N 1.25 0.00 -7.54 1.56 0.00 -1.89 -3.40 103.07 93.05 1p81 h GLY 394 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1p81 h GLY 394 CO 0.00 0.00 1.76 0.30 0.00 0.00 0.00 176.54 178.60 1p81 s HIS 395 N -3.31 2.54 0.55 5.60 3.76 -0.44 -4.95 115.29 119.05 1p81 s HIS 395 Ca 0.06 -0.99 0.05 0.00 -0.15 0.00 0.00 55.06 54.02 1p81 s HIS 395 Cb 0.10 -4.60 0.03 0.00 1.11 0.00 0.00 32.58 29.22 1p81 s HIS 395 CO 0.49 -1.77 0.34 0.96 -0.85 0.00 0.00 174.74 173.91 1p81 s ILE 396 N 5.65 1.52 0.14 0.60 -4.36 -1.26 -1.45 121.20 122.04 1p81 s ILE 396 Ca 0.54 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 1p81 s ILE 396 Cb 0.02 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 1p81 s ILE 396 CO 0.03 0.00 -0.01 0.68 0.24 0.00 0.00 174.94 175.88 1p81 s VAL 397 N -2.80 0.58 0.13 8.37 -7.23 -1.26 -4.82 120.40 113.36 1p81 s VAL 397 Ca 0.28 -1.95 -0.34 0.00 -1.81 0.00 0.00 61.98 58.16 1p81 s VAL 397 Cb -0.02 -1.97 -0.14 0.00 0.56 0.00 0.00 36.38 34.82 1p81 s VAL 397 CO 0.18 -0.60 1.57 -2.65 -0.31 0.00 0.00 175.10 173.29 1p81 n PRO 398 N -0.15 2.03 0.00 4.82 -0.02 -1.26 -1.21 135.00 139.21 1p81 n PRO 398 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1p81 n PRO 398 Cb 0.63 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1p81 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 399 N 3.39 1.32 3.37 -1.23 0.00 -1.26 -3.25 105.19 107.52 1p81 n GLY 399 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1p81 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 400 N 0.00 2.52 0.26 0.99 1.43 -0.35 -0.81 118.68 122.73 1p81 s LEU 400 Ca 0.00 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 51.95 1p81 s LEU 400 Cb 0.00 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1p81 s LEU 400 CO 0.00 -0.07 0.62 -0.62 0.23 0.00 0.00 176.35 176.51 1p81 s ASP 401 N -3.14 -0.22 0.78 2.29 3.68 0.03 -4.72 116.67 115.37 1p81 s ASP 401 Ca 0.22 -0.67 -0.05 0.00 2.13 0.00 0.00 52.55 54.17 1p81 s ASP 401 Cb -0.03 0.67 0.14 0.00 -1.45 0.00 0.00 42.92 42.24 1p81 s ASP 401 CO 0.09 -1.24 1.08 -0.36 0.13 0.00 0.00 175.17 174.87 1p81 s PHE 402 N -3.94 1.74 0.37 -5.34 2.99 -1.26 -1.24 117.98 111.30 1p81 s PHE 402 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 56.93 57.07 1p81 s PHE 402 Cb -0.04 -3.31 -0.03 0.00 0.00 0.00 0.00 43.02 39.64 1p81 s PHE 402 CO 0.06 -1.92 0.16 0.95 -0.00 0.00 0.00 175.22 174.47 1p81 s THR 403 N -3.35 0.45 -2.03 0.64 -4.23 -1.26 -4.31 115.64 101.55 1p81 s THR 403 Ca 0.68 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.35 1p81 s THR 403 Cb -0.05 -2.41 0.46 0.00 1.34 0.00 0.00 72.50 71.83 1p81 s THR 403 CO 0.47 0.00 1.61 0.59 -0.54 0.00 0.00 174.62 176.75 1p81 n ASN 404 N -1.27 0.21 -4.66 3.99 3.02 -1.26 -4.71 115.26 110.57 1p81 n ASN 404 Ca -0.02 -1.52 -0.61 0.00 -0.03 0.00 0.00 54.58 52.39 1p81 n ASN 404 Cb 0.64 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.72 1p81 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p81 n ASP 405 N -0.62 1.28 0.14 6.41 -0.08 -1.26 -4.79 116.55 117.63 1p81 n ASP 405 Ca 0.13 1.15 0.13 0.00 -1.51 0.00 0.00 54.79 54.68 1p81 n ASP 405 Cb 0.09 -0.99 0.46 0.00 2.34 0.00 0.00 41.12 43.02 1p81 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1p81 h PRO 406 N 5.04 0.00 0.10 -0.67 0.13 -1.76 -0.65 132.00 134.19 1p81 h PRO 406 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1p81 h PRO 406 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1p81 h PRO 406 CO 0.88 0.00 -1.23 1.25 -0.23 0.00 0.00 178.00 178.67 1p81 h LEU 407 N 0.00 0.32 -0.87 1.56 5.85 -1.81 -2.78 115.31 117.57 1p81 h LEU 407 Ca 0.00 -0.84 -0.03 0.00 0.84 0.00 0.00 57.88 57.85 1p81 h LEU 407 Cb 0.54 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1p81 h LEU 407 CO 0.00 1.53 0.38 0.25 -0.34 0.00 0.00 178.44 180.26 1p81 h LEU 408 N -0.44 1.09 -0.80 2.25 5.85 -1.83 -1.89 115.31 119.54 1p81 h LEU 408 Ca -0.27 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1p81 h LEU 408 Cb 1.64 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1p81 h LEU 408 CO 0.03 0.93 0.48 1.56 -0.34 0.00 0.00 178.44 181.11 1p81 h GLN 409 N 1.18 0.86 0.00 1.25 1.08 -1.25 -2.21 115.11 116.02 1p81 h GLN 409 Ca 0.28 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.24 1p81 h GLN 409 Cb 0.14 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1p81 h GLN 409 CO -0.03 0.57 -0.92 0.78 -0.95 0.00 0.00 178.83 178.28 1p81 h GLY 410 N 0.88 0.00 0.56 3.46 0.00 -1.56 -3.05 103.07 103.36 1p81 h GLY 410 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.78 1p81 h GLY 410 CO -0.18 0.00 0.60 3.21 0.00 0.00 0.00 176.54 180.18 1p81 h ARG 411 N 0.00 0.98 -0.64 4.80 3.08 -0.75 -1.94 114.38 119.91 1p81 h ARG 411 Ca -0.01 -0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.15 1p81 h ARG 411 Cb 1.67 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1p81 h ARG 411 CO 0.12 0.65 0.45 -0.07 -1.07 0.00 0.00 179.97 180.05 1p81 h LEU 412 N 1.01 0.08 -0.04 3.04 3.38 -1.34 -1.53 115.31 119.90 1p81 h LEU 412 Ca 0.46 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.25 1p81 h LEU 412 Cb 0.37 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1p81 h LEU 412 CO -0.24 0.04 -0.67 0.15 0.09 0.00 0.00 178.44 177.81 1p81 h PHE 413 N 0.08 0.75 -0.40 1.13 3.57 -1.50 -3.39 116.94 117.18 1p81 h PHE 413 Ca 0.30 -0.38 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1p81 h PHE 413 Cb 1.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1p81 h PHE 413 CO -0.00 1.20 -0.06 1.03 -2.23 0.00 0.00 178.31 178.25 1p81 h SER 414 N 0.10 0.75 1.12 0.41 0.87 -1.18 -3.13 113.55 112.49 1p81 h SER 414 Ca -0.07 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1p81 h SER 414 Cb 1.35 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1p81 h SER 414 CO 0.13 0.92 0.00 1.88 -0.53 0.00 0.00 176.83 179.23 1p81 h TYR 415 N 0.57 0.00 0.14 2.24 0.99 -1.71 -1.30 116.97 117.89 1p81 h TYR 415 Ca 0.11 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.60 1p81 h TYR 415 Cb 0.57 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.31 1p81 h TYR 415 CO 0.05 0.00 -1.13 1.15 -0.00 0.00 0.00 178.16 178.23 1p81 h THR 416 N 0.00 1.28 -0.13 -2.88 2.02 -1.78 -3.38 112.91 108.04 1p81 h THR 416 Ca 0.00 -2.49 0.04 0.00 0.77 0.00 0.00 66.41 64.74 1p81 h THR 416 Cb 0.56 2.97 -0.05 0.00 -1.74 0.00 0.00 68.15 69.89 1p81 h THR 416 CO 0.00 0.72 -0.19 -0.78 0.37 0.00 0.00 175.52 175.63 1p81 h ASP 417 N -0.31 -0.59 0.03 4.18 3.58 -1.43 -2.37 116.42 119.50 1p81 h ASP 417 Ca -0.22 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1p81 h ASP 417 Cb 1.73 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 43.05 1p81 h ASP 417 CO 0.12 -0.24 -0.02 0.00 -2.88 0.00 0.00 179.24 176.21 1p81 h THR 418 N -0.24 0.90 0.00 2.25 1.03 -1.44 -1.90 112.91 113.51 1p81 h THR 418 Ca 0.10 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1p81 h THR 418 Cb 0.39 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1p81 h THR 418 CO -0.27 0.02 0.00 0.00 -0.01 0.00 0.00 175.52 175.26 1p81 n GLN 419 N -4.34 0.28 -0.10 0.00 3.00 -0.89 -1.88 117.38 113.44 1p81 n GLN 419 Ca -0.03 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1p81 n GLN 419 Cb 0.11 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.13 1p81 n GLN 419 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1p81 h ILE 420 N 0.00 1.19 0.06 5.09 1.08 -1.46 -0.55 117.51 122.91 1p81 h ILE 420 Ca 0.00 -0.56 -0.37 0.00 -0.39 0.00 0.00 64.86 63.54 1p81 h ILE 420 Cb 0.29 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1p81 h ILE 420 CO 0.00 0.22 -2.18 -1.54 -0.69 0.00 0.00 178.15 173.97 1p81 n SER 421 N -4.36 2.04 -0.06 1.72 3.41 -1.08 -2.09 113.62 113.20 1p81 n SER 421 Ca 0.04 0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1p81 n SER 421 Cb 0.14 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 1p81 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1p81 h ARG 422 N -0.09 0.32 -0.36 4.33 2.43 -1.32 -2.96 114.38 116.74 1p81 h ARG 422 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1p81 h ARG 422 Cb 1.91 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1p81 h ARG 422 CO -0.03 0.26 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 1p81 n LEU 423 N -4.89 4.28 0.00 3.80 4.77 -0.22 -4.35 117.00 120.39 1p81 n LEU 423 Ca -0.03 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 1p81 n LEU 423 Cb 0.05 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1p81 n LEU 423 CO 0.34 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1p81 n GLY 424 N -0.10 0.77 0.00 -0.72 0.00 -1.12 -4.78 105.19 99.24 1p81 n GLY 424 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1p81 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p81 n GLY 425 N -2.01 -2.04 0.12 -0.02 0.00 -0.89 -4.78 105.19 95.57 1p81 n GLY 425 Ca 0.00 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.88 1p81 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p81 n PRO 426 N -0.45 0.83 -1.10 1.61 -0.04 -1.26 -3.62 135.00 130.97 1p81 n PRO 426 Ca 0.00 -0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.00 1p81 n PRO 426 Cb 0.00 -1.49 0.16 0.00 -0.04 0.00 0.00 33.50 32.13 1p81 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p81 n ASN 427 N -0.87 3.68 0.18 3.54 3.02 -1.26 -4.56 115.26 118.98 1p81 n ASN 427 Ca 0.17 -3.43 0.13 0.00 -0.03 0.00 0.00 54.58 51.42 1p81 n ASN 427 Cb 0.25 -0.80 0.61 0.00 -0.61 0.00 0.00 39.78 39.23 1p81 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p81 h PHE 428 N 0.89 0.00 0.00 3.10 -5.15 -1.86 -0.91 116.94 113.01 1p81 h PHE 428 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 1p81 h PHE 428 Cb 2.67 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.84 1p81 h PHE 428 CO 1.42 0.00 0.00 1.12 -2.00 0.00 0.00 178.31 178.85 1p81 h HIS 429 N 0.00 0.00 0.00 6.09 2.07 -1.90 -2.87 115.15 118.54 1p81 h HIS 429 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1p81 h HIS 429 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 1p81 h HIS 429 CO 0.00 0.00 -0.30 0.39 -3.07 0.00 0.00 177.93 174.95 1p81 n GLU 430 N -2.47 0.13 -2.11 5.12 1.02 -0.35 -3.03 120.64 118.95 1p81 n GLU 430 Ca 0.04 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1p81 n GLU 430 Cb 0.39 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1p81 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p81 s ILE 431 N -3.06 3.20 0.21 -3.67 1.01 -1.08 -4.84 121.20 112.97 1p81 s ILE 431 Ca 0.10 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.38 1p81 s ILE 431 Cb 0.16 -3.53 0.18 0.00 0.01 0.00 0.00 42.46 39.28 1p81 s ILE 431 CO 0.64 0.05 1.55 -0.65 0.00 0.00 0.00 174.94 176.53 1p81 h PRO 432 N 7.08 -0.02 -0.01 2.79 0.11 -1.89 -0.88 132.00 139.17 1p81 h PRO 432 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1p81 h PRO 432 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p81 h PRO 432 CO 0.88 -0.02 0.01 0.97 -0.21 0.00 0.00 178.00 179.64 1p81 h ILE 433 N -0.02 0.82 0.00 4.15 6.09 -1.90 -2.24 117.51 124.40 1p81 h ILE 433 Ca 0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 1p81 h ILE 433 Cb 0.57 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.85 1p81 h ILE 433 CO -0.95 0.00 -0.57 0.78 -3.07 0.00 0.00 178.15 174.34 1p81 h ASN 434 N 0.00 0.00 -3.87 2.19 2.35 -1.44 -3.48 115.58 111.33 1p81 h ASN 434 Ca 0.00 -0.17 -0.53 0.00 -0.55 0.00 0.00 56.30 55.05 1p81 h ASN 434 Cb 0.02 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.48 1p81 h ASN 434 CO -0.00 0.08 0.73 -0.13 -1.65 0.00 0.00 177.43 176.46 1p81 s ARG 435 N -3.18 4.21 0.63 0.81 0.52 -0.85 -4.88 118.95 116.22 1p81 s ARG 435 Ca 0.06 2.42 -0.18 0.00 -0.52 0.00 0.00 55.73 57.52 1p81 s ARG 435 Cb 0.13 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1p81 s ARG 435 CO 0.71 -0.40 1.23 -2.14 0.02 0.00 0.00 175.30 174.72 1p81 s PRO 436 N -1.85 2.74 0.02 3.54 0.02 -1.26 -4.93 135.00 133.28 1p81 s PRO 436 Ca 0.52 1.86 0.23 0.00 0.02 0.00 0.00 61.00 63.63 1p81 s PRO 436 Cb -0.44 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.29 1p81 s PRO 436 CO 0.58 -1.40 1.10 0.25 -0.33 0.00 0.00 177.00 177.20 1p81 n THR 437 N -1.86 0.06 -2.66 0.99 -2.24 -1.26 -4.93 114.28 102.38 1p81 n THR 437 Ca 0.14 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1p81 n THR 437 Cb 0.49 0.47 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1p81 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s PRO 439 N -4.80 4.03 -0.06 0.00 0.02 -1.26 -5.03 135.00 127.90 1p81 s PRO 439 Ca 0.59 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 1p81 s PRO 439 Cb -0.09 -2.87 0.03 0.00 0.02 0.00 0.00 34.50 31.59 1p81 s PRO 439 CO 0.39 -0.52 0.01 1.52 -0.33 0.00 0.00 177.00 178.07 1p81 s TYR 440 N -1.18 0.51 -0.06 6.54 1.13 -1.26 -4.97 117.35 118.06 1p81 s TYR 440 Ca 0.55 -0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 56.11 1p81 s TYR 440 Cb -0.42 -0.66 0.03 0.00 -1.10 0.00 0.00 41.96 39.81 1p81 s TYR 440 CO 0.56 -0.25 0.15 -1.01 -2.51 0.00 0.00 175.55 172.49 1p81 s HIS 441 N 1.71 -0.17 0.00 -3.49 3.76 -1.26 -5.16 115.29 110.68 1p81 s HIS 441 Ca 0.00 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1p81 s HIS 441 Cb -0.13 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1p81 s HIS 441 CO -0.04 -0.15 0.00 0.27 -0.85 0.00 0.00 174.74 173.98 1p81 n ASN 442 N 3.90 0.00 -1.28 1.40 0.23 -1.26 -4.93 115.26 113.32 1p81 n ASN 442 Ca -0.23 -0.99 0.12 0.00 -0.53 0.00 0.00 54.58 52.95 1p81 n ASN 442 Cb 0.54 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.52 1p81 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p81 n PHE 443 N 0.00 0.83 -2.37 -2.53 3.01 -1.26 -4.95 117.46 110.20 1p81 n PHE 443 Ca 0.00 -0.43 -0.41 0.00 1.01 0.00 0.00 57.45 57.63 1p81 n PHE 443 Cb 0.00 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1p81 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p81 s GLN 444 N -1.14 4.53 0.17 -1.08 -0.21 -1.26 -4.68 119.66 115.99 1p81 s GLN 444 Ca 0.46 1.91 0.00 0.00 0.02 0.00 0.00 55.36 57.74 1p81 s GLN 444 Cb 0.24 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1p81 s GLN 444 CO 0.33 0.01 0.06 1.03 -2.12 0.00 0.00 175.29 174.59 1p81 s ARG 445 N -0.94 1.10 3.93 2.91 1.81 -1.26 -5.08 118.95 121.42 1p81 s ARG 445 Ca 0.49 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 1p81 s ARG 445 Cb -0.34 0.00 0.00 0.00 -0.45 0.00 0.00 34.95 34.17 1p81 s ARG 445 CO 0.41 -0.24 0.00 -0.25 -0.68 0.00 0.00 175.30 174.54 1p81 n ASP 446 N -0.22 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.24 1p81 n ASP 446 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1p81 n ASP 446 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1p81 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p81 n GLY 447 N 0.00 0.23 3.76 0.44 0.00 -1.26 -4.66 105.19 103.70 1p81 n GLY 447 Ca 0.00 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 1p81 n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p81 n MET 448 N 0.50 2.25 -3.50 1.61 1.56 -1.26 -3.02 117.12 115.25 1p81 n MET 448 Ca 0.00 0.80 -0.22 0.00 -0.27 0.00 0.00 57.70 58.01 1p81 n MET 448 Cb 0.00 -2.63 0.07 0.00 2.15 0.00 0.00 33.22 32.81 1p81 n MET 448 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1p81 n HIS 449 N -0.22 -2.62 -2.30 1.12 8.25 -1.26 -4.50 115.22 113.68 1p81 n HIS 449 Ca 0.05 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 58.03 1p81 n HIS 449 Cb 0.41 -4.76 -0.03 0.00 1.12 0.00 0.00 29.99 26.74 1p81 n HIS 449 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1p81 s ARG 450 N -6.13 4.32 -0.26 -0.41 6.06 -1.17 -4.91 118.95 116.46 1p81 s ARG 450 Ca 0.49 1.88 -0.09 0.00 -2.50 0.00 0.00 55.73 55.51 1p81 s ARG 450 Cb -0.22 -3.52 -0.12 0.00 0.06 0.00 0.00 34.95 31.15 1p81 s ARG 450 CO 0.68 -0.50 -0.30 -1.33 -2.50 0.00 0.00 175.30 171.34 1p81 n MET 451 N 5.08 0.56 -2.00 5.12 2.81 -1.26 -4.94 117.12 122.49 1p81 n MET 451 Ca 0.12 0.22 -0.42 0.00 -1.81 0.00 0.00 57.70 55.81 1p81 n MET 451 Cb 0.44 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 1p81 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p81 s GLY 452 N -5.69 1.68 -0.49 3.03 0.00 -1.26 -4.97 107.32 99.62 1p81 s GLY 452 Ca -0.35 1.29 -0.13 0.00 0.00 0.00 0.00 44.72 45.52 1p81 s GLY 452 CO 0.48 2.56 0.41 -0.42 0.00 0.00 0.00 173.10 176.13 1p81 s ILE 453 N 1.22 4.82 0.12 0.90 1.01 -1.26 -4.98 121.20 123.03 1p81 s ILE 453 Ca 0.69 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 1p81 s ILE 453 Cb -0.41 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 1p81 s ILE 453 CO 0.31 -0.74 1.15 -1.81 0.00 0.00 0.00 174.94 173.85 1p81 s ASP 454 N 2.97 7.17 0.00 3.58 1.11 -1.26 -4.93 116.67 125.30 1p81 s ASP 454 Ca 0.04 2.05 0.17 0.00 0.18 0.00 0.00 52.55 54.98 1p81 s ASP 454 Cb -0.27 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.12 1p81 s ASP 454 CO 0.03 -0.35 0.86 0.35 1.18 0.00 0.00 175.17 177.24 1p81 n THR 455 N 3.18 0.00 -1.71 -1.27 -2.24 -1.26 -4.98 114.28 106.00 1p81 n THR 455 Ca 0.06 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1p81 n THR 455 Cb 0.46 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1p81 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p81 n ASN 456 N -0.15 3.64 0.20 3.42 2.85 -1.26 -4.86 115.26 119.09 1p81 n ASN 456 Ca 0.07 1.10 0.05 0.00 -0.11 0.00 0.00 54.58 55.69 1p81 n ASN 456 Cb 0.34 -1.54 0.49 0.00 1.24 0.00 0.00 39.78 40.32 1p81 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p81 h PRO 457 N 5.66 0.07 -5.79 1.20 0.11 -1.93 -3.41 132.00 127.90 1p81 h PRO 457 Ca -0.45 -0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 1p81 h PRO 457 Cb 1.23 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1p81 h PRO 457 CO 0.87 0.21 -0.48 0.00 -0.21 0.00 0.00 178.00 178.39 1p81 s ALA 458 N -4.73 3.94 -0.14 -0.75 0.00 -1.26 -5.01 121.76 113.82 1p81 s ALA 458 Ca -0.04 -0.73 0.15 0.00 0.00 0.00 0.00 51.96 51.34 1p81 s ALA 458 Cb 0.16 -1.91 0.39 0.00 0.00 0.00 0.00 23.12 21.75 1p81 s ALA 458 CO 0.70 0.72 1.19 0.27 0.00 0.00 0.00 175.76 178.64 1p81 n ASN 459 N 1.10 1.51 -3.63 0.00 2.04 -1.26 -4.99 115.26 110.02 1p81 n ASN 459 Ca -0.12 -3.23 -0.10 0.00 -0.44 0.00 0.00 54.58 50.69 1p81 n ASN 459 Cb 0.53 -0.44 -0.04 0.00 -2.53 0.00 0.00 39.78 37.29 1p81 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p81 s TYR 460 N -2.20 -0.21 -0.01 -2.53 -0.85 -1.26 -4.80 117.35 105.50 1p81 s TYR 460 Ca 0.34 -0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.73 1p81 s TYR 460 Cb 0.35 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.99 1p81 s TYR 460 CO -0.08 -0.75 0.12 -1.83 -1.52 0.00 0.00 175.55 171.49 1p81 s GLU 461 N -3.81 0.39 0.32 -3.49 4.04 -1.26 -4.07 118.70 110.81 1p81 s GLU 461 Ca 0.04 -0.28 -0.28 0.00 0.04 0.00 0.00 54.97 54.49 1p81 s GLU 461 Cb 0.01 0.16 -0.09 0.00 0.02 0.00 0.00 34.13 34.23 1p81 s GLU 461 CO -0.10 -0.09 1.12 -1.25 -1.84 0.00 0.00 175.26 173.10 1p81 s PRO 462 N -1.04 4.48 0.15 -4.83 0.04 -1.26 -5.20 135.00 127.33 1p81 s PRO 462 Ca -0.11 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.80 1p81 s PRO 462 Cb -0.06 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1p81 s PRO 462 CO 0.01 0.06 -0.14 0.54 0.04 0.00 0.00 177.00 177.51 1p81 s ASN 463 N -0.97 2.18 -0.01 6.66 2.20 -1.26 -5.03 114.94 118.70 1p81 s ASN 463 Ca 0.48 -0.88 0.12 0.00 -0.94 0.00 0.00 52.86 51.64 1p81 s ASN 463 Cb -0.31 -0.09 -0.18 0.00 -2.00 0.00 0.00 41.25 38.68 1p81 s ASN 463 CO 0.40 -0.16 0.33 -1.54 -2.94 0.00 0.00 177.10 173.19 1p81 n SER 464 N 0.23 1.79 0.11 3.54 3.41 -1.26 -1.85 113.62 119.58 1p81 n SER 464 Ca -0.13 -0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1p81 n SER 464 Cb 0.58 1.42 0.46 0.00 -0.26 0.00 0.00 64.21 66.41 1p81 n SER 464 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1p81 n ILE 465 N -1.77 0.86 -1.79 -1.33 -5.35 -1.26 -1.41 119.36 107.32 1p81 n ILE 465 Ca -0.01 0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.75 1p81 n ILE 465 Cb 0.29 -1.13 0.10 0.00 -1.74 0.00 0.00 39.64 37.15 1p81 n ILE 465 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1p81 n ASN 466 N -2.10 1.29 -3.94 7.28 5.15 -1.26 -4.85 115.26 116.83 1p81 n ASN 466 Ca 0.02 -2.78 -0.30 0.00 -0.60 0.00 0.00 54.58 50.92 1p81 n ASN 466 Cb 0.22 -0.37 0.02 0.00 -0.53 0.00 0.00 39.78 39.12 1p81 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p81 n ASP 467 N -0.53 -4.40 -1.87 1.20 2.03 -0.50 -1.56 116.55 110.93 1p81 n ASP 467 Ca 0.11 -0.81 -0.21 0.00 0.52 0.00 0.00 54.79 54.40 1p81 n ASP 467 Cb 0.80 -3.77 -0.06 0.00 -0.72 0.00 0.00 41.12 37.37 1p81 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p81 n ASN 468 N -2.83 -5.64 -4.87 1.67 5.15 -0.77 -5.00 115.26 102.96 1p81 n ASN 468 Ca 0.02 0.32 -0.34 0.00 -0.60 0.00 0.00 54.58 53.98 1p81 n ASN 468 Cb 0.53 -4.85 -0.05 0.00 -0.53 0.00 0.00 39.78 34.88 1p81 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p81 s TRP 469 N -2.87 3.56 0.50 1.20 0.52 -0.60 -3.75 118.94 117.50 1p81 s TRP 469 Ca 0.00 0.75 -0.19 0.00 0.02 0.00 0.00 56.10 56.68 1p81 s TRP 469 Cb 0.00 -2.13 -0.08 0.00 -1.15 0.00 0.00 33.47 30.11 1p81 s TRP 469 CO 0.00 0.50 1.01 -1.25 0.02 0.00 0.00 176.95 177.23 1p81 s PRO 470 N -2.04 3.86 0.13 4.98 0.04 -1.26 -4.90 135.00 135.81 1p81 s PRO 470 Ca 0.34 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.62 1p81 s PRO 470 Cb -0.14 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1p81 s PRO 470 CO 0.19 -0.36 0.06 1.03 0.04 0.00 0.00 177.00 177.96 1p81 s ARG 471 N -3.55 2.70 0.70 4.56 0.52 -1.25 -5.02 118.95 117.62 1p81 s ARG 471 Ca 0.63 -0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 1p81 s ARG 471 Cb -0.13 -2.58 0.02 0.00 0.52 0.00 0.00 34.95 32.79 1p81 s ARG 471 CO 0.23 0.51 1.23 -1.21 0.02 0.00 0.00 175.30 176.09 1p81 s GLU 472 N -2.70 2.27 -0.07 3.54 2.02 -1.26 -5.04 118.70 117.46 1p81 s GLU 472 Ca 0.28 1.84 0.01 0.00 0.02 0.00 0.00 54.97 57.13 1p81 s GLU 472 Cb -0.11 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1p81 s GLU 472 CO 0.21 -1.76 -0.07 0.99 0.02 0.00 0.00 175.26 174.65 1p81 s THR 473 N -1.82 0.81 0.70 3.63 2.01 -1.26 -5.08 115.64 114.63 1p81 s THR 473 Ca 0.77 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1p81 s THR 473 Cb -0.31 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1p81 s THR 473 CO 0.43 0.30 1.17 -2.84 -0.69 0.00 0.00 174.62 172.99 1p81 s PRO 474 N 1.08 2.41 0.71 4.92 0.02 -1.26 -1.97 135.00 140.91 1p81 s PRO 474 Ca -0.08 1.61 -0.15 0.00 0.02 0.00 0.00 61.00 62.41 1p81 s PRO 474 Cb -0.14 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1p81 s PRO 474 CO -0.01 -1.60 1.16 -1.25 -0.33 0.00 0.00 177.00 174.97 1p81 s PRO 475 N -3.97 2.40 0.07 5.54 0.04 -1.26 -1.51 135.00 136.31 1p81 s PRO 475 Ca 0.71 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 63.06 1p81 s PRO 475 Cb -0.26 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.49 1p81 s PRO 475 CO 0.43 -1.59 1.18 0.20 0.04 0.00 0.00 177.00 177.26 1p81 s GLY 476 N -2.35 -0.03 0.40 0.56 0.00 -1.26 -4.79 107.32 99.85 1p81 s GLY 476 Ca 0.70 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.38 1p81 s GLY 476 CO 0.44 3.98 2.04 -0.56 0.00 0.00 0.00 173.10 179.00 1p81 h PRO 477 N 2.00 0.61 -3.28 2.90 0.13 -1.95 -3.40 132.00 129.01 1p81 h PRO 477 Ca -0.25 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 1p81 h PRO 477 Cb 1.20 -0.14 -0.22 0.00 0.13 0.00 0.00 31.00 31.97 1p81 h PRO 477 CO 0.33 0.40 -0.43 0.15 -0.23 0.00 0.00 178.00 178.23 1p81 s LYS 478 N -5.55 0.44 -1.17 0.86 1.02 -1.26 -4.85 119.74 109.22 1p81 s LYS 478 Ca -0.09 -0.08 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1p81 s LYS 478 Cb 0.18 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1p81 s LYS 478 CO 0.74 -0.10 0.02 0.54 -0.92 0.00 0.00 175.35 175.64 1p81 n ARG 479 N 2.00 -2.23 -3.34 1.68 5.12 -1.26 -4.97 116.66 113.66 1p81 n ARG 479 Ca -0.19 0.66 -0.19 0.00 -1.93 0.00 0.00 57.85 56.20 1p81 n ARG 479 Cb 0.57 -5.27 -0.01 0.00 -1.16 0.00 0.00 32.46 26.58 1p81 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p81 s GLY 480 N -2.06 1.98 0.70 -0.13 0.00 -1.26 -4.95 107.32 101.60 1p81 s GLY 480 Ca 0.02 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.86 1p81 s GLY 480 CO 0.02 -1.57 1.12 -0.32 0.00 0.00 0.00 173.10 172.35 1p81 s GLY 481 N -4.22 2.06 0.04 0.20 0.00 -0.57 -4.79 107.32 100.05 1p81 s GLY 481 Ca 0.50 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.45 1p81 s GLY 481 CO 0.30 0.90 1.10 -0.12 0.00 0.00 0.00 173.10 175.28 1p81 s PHE 482 N -2.42 3.54 -0.03 1.90 5.36 -1.26 -4.02 117.98 121.05 1p81 s PHE 482 Ca 0.67 1.48 0.01 0.00 -0.96 0.00 0.00 56.93 58.13 1p81 s PHE 482 Cb -0.21 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1p81 s PHE 482 CO 0.46 -0.72 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.46 1p81 s GLU 483 N 0.96 0.64 0.45 10.12 2.12 -1.26 -4.97 118.70 126.75 1p81 s GLU 483 Ca 0.55 -0.08 -0.23 0.00 0.36 0.00 0.00 54.97 55.58 1p81 s GLU 483 Cb -0.26 -0.68 -0.08 0.00 0.26 0.00 0.00 34.13 33.37 1p81 s GLU 483 CO 0.29 -0.06 1.11 -1.12 -0.54 0.00 0.00 175.26 174.94 1p81 s SER 484 N 0.76 6.33 0.26 -1.70 0.01 -1.26 -4.98 113.70 113.12 1p81 s SER 484 Ca -0.09 2.16 -0.30 0.00 1.31 0.00 0.00 55.95 59.02 1p81 s SER 484 Cb -0.12 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 1p81 s SER 484 CO -0.00 -0.80 1.56 -0.47 0.41 0.00 0.00 173.24 173.95 1p81 s TYR 485 N -1.66 2.87 -1.52 2.43 5.04 -1.26 -4.87 117.35 118.38 1p81 s TYR 485 Ca 0.63 0.78 -0.12 0.00 -2.44 0.00 0.00 57.07 55.93 1p81 s TYR 485 Cb -0.24 -4.00 -0.03 0.00 0.35 0.00 0.00 41.96 38.04 1p81 s TYR 485 CO 0.30 -3.41 2.60 1.04 -1.34 0.00 0.00 175.55 174.74 1p81 n GLN 486 N 2.60 3.24 -1.96 4.97 6.02 -1.26 -4.94 117.38 126.05 1p81 n GLN 486 Ca 0.09 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.32 1p81 n GLN 486 Cb 0.38 -3.01 -0.01 0.00 1.02 0.00 0.00 30.24 28.62 1p81 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p81 s GLU 487 N 2.72 4.23 0.13 -1.09 2.12 -1.26 -4.95 118.70 120.60 1p81 s GLU 487 Ca 0.59 2.39 -0.30 0.00 0.36 0.00 0.00 54.97 58.01 1p81 s GLU 487 Cb 0.16 -3.03 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 1p81 s GLU 487 CO -0.07 -0.38 1.15 0.50 -0.54 0.00 0.00 175.26 175.92 1p81 s ARG 488 N -1.67 4.52 -0.12 4.30 3.52 -1.26 -5.03 118.95 123.21 1p81 s ARG 488 Ca 0.52 1.76 0.01 0.00 -0.13 0.00 0.00 55.73 57.90 1p81 s ARG 488 Cb -0.43 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1p81 s ARG 488 CO 0.56 -0.07 -0.17 0.08 -0.81 0.00 0.00 175.30 174.88 1p81 s VAL 489 N 0.27 2.65 -0.16 7.11 1.01 -1.26 -5.11 120.40 124.90 1p81 s VAL 489 Ca 0.53 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1p81 s VAL 489 Cb -0.30 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.07 1p81 s VAL 489 CO 0.33 0.54 0.35 -0.70 0.00 0.00 0.00 175.10 175.62 1p81 s GLU 490 N 0.37 0.27 0.00 2.72 2.12 -1.26 -5.14 118.70 117.78 1p81 s GLU 490 Ca -0.14 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1p81 s GLU 490 Cb -0.17 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1p81 s GLU 490 CO 0.07 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1p81 n GLY 491 N 5.02 -0.12 3.95 -1.50 0.00 -1.26 -5.14 105.19 106.14 1p81 n GLY 491 Ca -0.13 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1p81 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p81 s ASN 492 N 0.00 6.09 -0.53 1.61 0.01 -1.26 -5.01 114.94 115.85 1p81 s ASN 492 Ca 0.00 0.33 -0.27 0.00 -0.71 0.00 0.00 52.86 52.21 1p81 s ASN 492 Cb 0.00 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1p81 s ASN 492 CO 0.00 -0.46 1.72 -0.54 -1.51 0.00 0.00 177.10 176.31 1p81 s LYS 493 N -4.39 2.99 0.06 -0.60 1.02 -1.26 -4.96 119.74 112.60 1p81 s LYS 493 Ca 0.43 0.77 0.04 0.00 0.02 0.00 0.00 55.97 57.24 1p81 s LYS 493 Cb -0.10 -4.27 -0.03 0.00 -0.52 0.00 0.00 37.83 32.92 1p81 s LYS 493 CO 0.36 -2.30 -0.12 0.14 -0.92 0.00 0.00 175.35 172.51 1p81 s VAL 494 N 7.70 0.95 -0.83 3.17 -7.23 -1.26 -5.07 120.40 117.83 1p81 s VAL 494 Ca 0.66 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.52 1p81 s VAL 494 Cb -0.14 -0.93 0.21 0.00 0.56 0.00 0.00 36.38 36.07 1p81 s VAL 494 CO 0.25 -0.26 0.74 -0.13 -0.31 0.00 0.00 175.10 175.39 1p81 s ARG 495 N -1.68 3.37 -0.09 4.82 0.52 -1.26 -5.01 118.95 119.62 1p81 s ARG 495 Ca -0.04 -2.76 -0.07 0.00 -0.52 0.00 0.00 55.73 52.34 1p81 s ARG 495 Cb -0.10 -4.18 0.03 0.00 0.52 0.00 0.00 34.95 31.22 1p81 s ARG 495 CO 0.02 -1.25 0.23 -2.00 0.02 0.00 0.00 175.30 172.32 1p81 s GLU 496 N -0.42 0.25 0.00 3.54 2.12 -1.26 -5.14 118.70 117.79 1p81 s GLU 496 Ca 0.22 0.37 -0.25 0.00 0.36 0.00 0.00 54.97 55.67 1p81 s GLU 496 Cb -0.12 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 1p81 s GLU 496 CO -0.08 -0.07 0.77 0.50 -0.54 0.00 0.00 175.26 175.85 1p81 s ARG 497 N 0.42 4.49 0.32 4.30 6.06 -1.26 -5.00 118.95 128.28 1p81 s ARG 497 Ca -0.02 1.05 -0.29 0.00 -2.50 0.00 0.00 55.73 53.96 1p81 s ARG 497 Cb -0.04 -3.40 -0.11 0.00 0.06 0.00 0.00 34.95 31.46 1p81 s ARG 497 CO -0.02 0.17 1.52 0.45 -2.50 0.00 0.00 175.30 174.91 1p81 s SER 498 N 0.36 6.42 0.50 -2.12 0.15 -1.26 -4.88 113.70 112.87 1p81 s SER 498 Ca 0.40 2.93 0.21 0.00 0.70 0.00 0.00 55.95 60.20 1p81 s SER 498 Cb -0.20 -2.65 1.27 0.00 -1.71 0.00 0.00 66.02 62.74 1p81 s SER 498 CO 0.22 -0.85 2.00 -0.65 1.20 0.00 0.00 173.24 175.16 1p81 h PRO 499 N 4.09 0.13 0.00 5.44 0.11 -2.00 0.10 132.00 139.87 1p81 h PRO 499 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p81 h PRO 499 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1p81 h PRO 499 CO 0.73 0.08 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 1p81 h SER 500 N 0.13 0.00 0.41 -2.05 4.64 -2.02 -1.97 113.55 112.70 1p81 h SER 500 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1p81 h SER 500 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1p81 h SER 500 CO -0.03 0.00 -0.41 0.49 -0.87 0.00 0.00 176.83 176.01 1p81 n PHE 501 N -3.04 0.00 -0.39 4.77 3.01 0.35 -4.32 117.46 117.85 1p81 n PHE 501 Ca -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 1p81 n PHE 501 Cb 0.09 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 1p81 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p81 n GLY 502 N 1.44 1.91 2.83 1.37 0.00 -0.74 -4.76 105.19 107.24 1p81 n GLY 502 Ca 0.08 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1p81 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p81 s GLU 503 N 0.88 0.77 0.00 1.61 -6.30 -1.26 -5.06 118.70 109.34 1p81 s GLU 503 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 54.97 52.56 1p81 s GLU 503 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 34.13 33.19 1p81 s GLU 503 CO 0.00 -0.22 0.11 0.66 0.02 0.00 0.00 175.26 175.83 1p81 n TYR 504 N 4.75 0.00 -0.01 5.30 4.01 -1.26 -4.88 117.16 125.07 1p81 n TYR 504 Ca -0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.62 1p81 n TYR 504 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 1p81 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 n TYR 505 N -0.69 0.00 -0.21 -0.72 4.01 -1.26 -4.59 117.16 113.70 1p81 n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1p81 n TYR 505 Cb 0.01 -0.20 0.11 0.00 -0.31 0.00 0.00 39.34 38.94 1p81 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 h SER 506 N 0.00 0.96 -0.05 7.72 4.64 -1.90 -1.95 113.55 122.97 1p81 h SER 506 Ca -0.05 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1p81 h SER 506 Cb 0.63 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1p81 h SER 506 CO 0.00 0.92 0.01 0.45 -0.87 0.00 0.00 176.83 177.35 1p81 h HIS 507 N 0.97 0.08 -0.59 4.77 3.86 -1.90 -0.20 115.15 122.14 1p81 h HIS 507 Ca 0.21 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.53 1p81 h HIS 507 Cb 0.34 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.69 1p81 h HIS 507 CO 0.02 0.28 0.03 -1.35 0.86 0.00 0.00 177.93 177.77 1p81 h PRO 508 N -0.13 0.14 -0.49 2.45 0.11 -1.81 -0.56 132.00 131.71 1p81 h PRO 508 Ca 0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1p81 h PRO 508 Cb 0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1p81 h PRO 508 CO 0.00 0.09 0.14 -0.09 -0.21 0.00 0.00 178.00 177.94 1p81 h ARG 509 N 0.14 0.77 -0.77 1.05 2.43 -1.17 -1.06 114.38 115.77 1p81 h ARG 509 Ca 0.30 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1p81 h ARG 509 Cb 0.48 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1p81 h ARG 509 CO -0.48 0.73 0.48 1.25 -1.51 0.00 0.00 179.97 180.44 1p81 h LEU 510 N 0.66 0.77 0.06 3.80 5.85 -0.18 -0.73 115.31 125.55 1p81 h LEU 510 Ca 0.16 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1p81 h LEU 510 Cb 0.29 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1p81 h LEU 510 CO -0.00 0.51 -0.03 0.15 -0.34 0.00 0.00 178.44 178.73 1p81 h PHE 511 N 0.91 -0.07 -0.46 1.25 3.04 -0.93 -2.37 116.94 118.31 1p81 h PHE 511 Ca 0.32 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.35 1p81 h PHE 511 Cb 0.08 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 1p81 h PHE 511 CO -0.04 0.02 0.08 2.35 -2.02 0.00 0.00 178.31 178.70 1p81 h TRP 512 N -0.14 0.13 0.00 0.41 2.91 -0.80 -1.88 115.95 116.58 1p81 h TRP 512 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1p81 h TRP 512 Cb 0.12 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 1p81 h TRP 512 CO -0.05 -0.01 0.00 -0.07 -1.03 0.00 0.00 178.44 177.28 1p81 h LEU 513 N 0.21 0.00 0.00 0.65 3.38 -0.97 -2.75 115.31 115.83 1p81 h LEU 513 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1p81 h LEU 513 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p81 h LEU 513 CO -0.30 0.00 -0.20 -1.20 0.09 0.00 0.00 178.44 176.83 1p81 n SER 514 N -2.84 0.55 -4.87 -0.43 7.64 -0.71 -4.82 113.62 108.13 1p81 n SER 514 Ca 0.01 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 1p81 n SER 514 Cb 0.28 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1p81 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p81 s GLN 515 N -3.08 3.80 0.95 1.43 -1.52 -1.04 -4.33 119.66 115.87 1p81 s GLN 515 Ca 0.11 0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 53.97 1p81 s GLN 515 Cb 0.15 -2.33 0.16 0.00 -0.22 0.00 0.00 33.01 30.77 1p81 s GLN 515 CO 0.62 -0.10 1.09 0.95 -0.25 0.00 0.00 175.29 177.60 1p81 s THR 516 N -2.45 2.38 0.24 -0.19 -4.23 -1.26 -4.76 115.64 105.36 1p81 s THR 516 Ca 0.53 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1p81 s THR 516 Cb -0.10 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.37 1p81 s THR 516 CO 0.32 -0.16 1.91 -0.65 -0.54 0.00 0.00 174.62 175.50 1p81 h PRO 517 N -1.74 1.18 -0.02 3.99 0.11 -1.97 0.78 132.00 134.33 1p81 h PRO 517 Ca -0.52 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.40 1p81 h PRO 517 Cb 1.30 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1p81 h PRO 517 CO 0.56 0.78 -0.54 0.27 -0.21 0.00 0.00 178.00 178.86 1p81 h PHE 518 N 1.22 0.08 -0.43 0.65 -0.00 -1.97 -1.70 116.94 114.78 1p81 h PHE 518 Ca 0.34 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.97 58.18 1p81 h PHE 518 Cb -0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 35.82 1p81 h PHE 518 CO -0.01 0.59 -0.17 0.93 -0.00 0.00 0.00 178.31 179.65 1p81 h GLU 519 N 0.05 0.87 -0.55 6.09 5.08 -1.64 -1.93 114.58 122.55 1p81 h GLU 519 Ca -0.00 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1p81 h GLU 519 Cb 0.96 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1p81 h GLU 519 CO 0.07 1.01 0.34 1.96 -1.00 0.00 0.00 179.01 181.39 1p81 h GLN 520 N 0.70 0.75 -0.73 2.33 4.20 -0.65 -1.54 115.11 120.16 1p81 h GLN 520 Ca 0.10 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1p81 h GLN 520 Cb 0.72 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1p81 h GLN 520 CO 0.05 0.54 0.48 -0.09 -0.67 0.00 0.00 178.83 179.14 1p81 h ARG 521 N 0.75 0.93 -0.22 1.46 9.65 -1.15 -0.62 114.38 125.18 1p81 h ARG 521 Ca 0.20 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1p81 h ARG 521 Cb -0.03 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.33 1p81 h ARG 521 CO -0.04 0.62 -0.06 0.45 2.80 0.00 0.00 179.97 183.74 1p81 h HIS 522 N 0.96 0.35 0.13 2.20 3.86 -1.07 0.78 115.15 122.35 1p81 h HIS 522 Ca 0.27 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1p81 h HIS 522 Cb -0.07 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1p81 h HIS 522 CO -0.03 0.41 -0.06 0.82 0.86 0.00 0.00 177.93 179.93 1p81 h ILE 523 N 0.33 1.04 -0.68 2.45 2.04 -0.71 0.01 117.51 121.98 1p81 h ILE 523 Ca 0.07 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.25 1p81 h ILE 523 Cb 0.32 1.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 1p81 h ILE 523 CO 0.01 0.19 0.26 0.58 0.00 0.00 0.00 178.15 179.19 1p81 h VAL 524 N -0.55 0.71 -0.54 1.67 2.07 -0.84 -0.84 116.25 117.92 1p81 h VAL 524 Ca -0.02 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1p81 h VAL 524 Cb 0.44 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1p81 h VAL 524 CO 0.03 0.08 0.01 0.44 0.02 0.00 0.00 177.57 178.14 1p81 h ASP 525 N 0.42 0.89 0.27 0.57 3.45 -0.68 -0.50 116.42 120.84 1p81 h ASP 525 Ca 0.36 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 1p81 h ASP 525 Cb 0.50 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1p81 h ASP 525 CO -0.36 0.94 -0.13 1.23 -1.57 0.00 0.00 179.24 179.35 1p81 h GLY 526 N 1.00 -0.39 0.48 2.75 0.00 0.05 0.12 103.07 107.08 1p81 h GLY 526 Ca 0.16 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.73 1p81 h GLY 526 CO 0.02 -0.14 0.37 0.74 0.00 0.00 0.00 176.54 177.54 1p81 h PHE 527 N -0.55 0.67 -0.34 5.60 0.04 -1.17 -1.28 116.94 119.90 1p81 h PHE 527 Ca -0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1p81 h PHE 527 Cb 0.41 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1p81 h PHE 527 CO -0.01 0.25 0.10 0.77 -0.60 0.00 0.00 178.31 178.82 1p81 h SER 528 N 0.63 0.50 -0.09 2.17 0.02 -0.82 -0.14 113.55 115.82 1p81 h SER 528 Ca 0.36 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1p81 h SER 528 Cb 0.37 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1p81 h SER 528 CO -0.27 0.58 0.03 0.15 -1.14 0.00 0.00 176.83 176.19 1p81 h PHE 529 N 0.40 0.13 -0.55 3.45 3.04 -0.59 -1.99 116.94 120.83 1p81 h PHE 529 Ca 0.11 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1p81 h PHE 529 Cb 0.26 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1p81 h PHE 529 CO 0.01 0.25 0.23 0.93 -2.02 0.00 0.00 178.31 177.70 1p81 h GLU 530 N -0.02 0.81 0.00 1.11 5.08 -1.05 -2.78 114.58 117.74 1p81 h GLU 530 Ca 0.03 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1p81 h GLU 530 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1p81 h GLU 530 CO -0.00 0.70 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.42 1p81 h LEU 531 N 0.74 0.00 -1.40 1.33 3.38 -0.97 -1.45 115.31 116.94 1p81 h LEU 531 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p81 h LEU 531 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1p81 h LEU 531 CO -0.02 0.22 0.00 0.77 0.09 0.00 0.00 178.44 179.50 1p81 h SER 532 N 0.00 0.00 -0.11 -0.43 4.64 -1.08 -1.20 113.55 115.37 1p81 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p81 h SER 532 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1p81 h SER 532 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1p81 n LYS 533 N -2.90 1.76 -2.99 4.77 4.76 -0.55 -4.79 118.16 118.22 1p81 n LYS 533 Ca 0.01 -1.13 -0.42 0.00 -2.87 0.00 0.00 58.31 53.90 1p81 n LYS 533 Cb 0.27 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 1p81 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p81 s VAL 534 N -1.86 4.82 0.16 -0.18 1.01 -0.46 -4.52 120.40 119.37 1p81 s VAL 534 Ca 0.35 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 63.28 1p81 s VAL 534 Cb 0.19 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1p81 s VAL 534 CO 0.29 -0.25 1.50 0.58 0.00 0.00 0.00 175.10 177.22 1p81 h VAL 535 N 5.61 1.28 -3.58 2.92 2.07 -1.86 -3.42 116.25 119.26 1p81 h VAL 535 Ca -0.25 -1.56 -0.60 0.00 0.82 0.00 0.00 66.70 65.11 1p81 h VAL 535 Cb 1.10 1.40 -0.11 0.00 -1.52 0.00 0.00 31.29 32.16 1p81 h VAL 535 CO 0.87 0.52 0.60 -0.13 0.02 0.00 0.00 177.57 179.45 1p81 s ARG 536 N -4.38 3.50 0.34 1.57 0.52 -1.26 -4.93 118.95 114.31 1p81 s ARG 536 Ca -0.10 0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1p81 s ARG 536 Cb 0.11 -3.95 0.80 0.00 0.52 0.00 0.00 34.95 32.44 1p81 s ARG 536 CO 0.87 -1.29 1.83 -1.35 0.02 0.00 0.00 175.30 175.39 1p81 h PRO 537 N 9.14 0.69 0.00 3.54 0.11 -1.98 -1.55 132.00 141.95 1p81 h PRO 537 Ca -0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1p81 h PRO 537 Cb 1.07 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1p81 h PRO 537 CO 1.05 0.46 -0.06 0.10 -0.21 0.00 0.00 178.00 179.33 1p81 h TYR 538 N 0.71 0.00 -0.42 0.65 -0.00 -1.97 -0.59 116.97 115.34 1p81 h TYR 538 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 59.11 1p81 h TYR 538 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.55 1p81 h TYR 538 CO -0.00 0.06 -0.23 0.82 -0.00 0.00 0.00 178.16 178.81 1p81 h ILE 539 N 0.00 1.28 -0.41 -0.90 2.04 -1.69 -0.33 117.51 117.49 1p81 h ILE 539 Ca -0.00 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.52 1p81 h ILE 539 Cb 0.11 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1p81 h ILE 539 CO 0.01 0.47 0.17 0.03 0.00 0.00 0.00 178.15 178.82 1p81 h ARG 540 N 0.72 0.34 -0.40 2.37 3.08 -1.17 -1.29 114.38 118.03 1p81 h ARG 540 Ca 0.09 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1p81 h ARG 540 Cb 0.80 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1p81 h ARG 540 CO 0.07 0.22 0.22 0.93 -1.07 0.00 0.00 179.97 180.34 1p81 h GLU 541 N 0.35 0.43 -0.49 0.04 5.08 -0.95 -1.49 114.58 117.54 1p81 h GLU 541 Ca 0.18 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1p81 h GLU 541 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1p81 h GLU 541 CO -0.17 0.28 0.15 0.00 -1.00 0.00 0.00 179.01 178.28 1p81 h ARG 542 N 0.44 0.72 -0.26 2.33 3.08 -0.60 -1.29 114.38 118.80 1p81 h ARG 542 Ca 0.16 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1p81 h ARG 542 Cb 0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1p81 h ARG 542 CO -0.10 0.63 -0.51 0.28 -1.07 0.00 0.00 179.97 179.20 1p81 h VAL 543 N 0.71 1.29 -0.86 2.04 2.07 -0.90 -2.45 116.25 118.14 1p81 h VAL 543 Ca 0.16 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1p81 h VAL 543 Cb 0.21 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1p81 h VAL 543 CO -0.01 0.55 0.51 0.58 0.02 0.00 0.00 177.57 179.22 1p81 h VAL 544 N 0.57 1.24 -0.85 2.57 2.07 -0.96 0.93 116.25 121.82 1p81 h VAL 544 Ca 0.02 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1p81 h VAL 544 Cb 1.08 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1p81 h VAL 544 CO 0.11 0.26 0.47 -0.78 0.02 0.00 0.00 177.57 177.64 1p81 h ASP 545 N 1.18 1.06 -0.63 0.57 1.82 -1.03 -1.75 116.42 117.65 1p81 h ASP 545 Ca 0.31 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1p81 h ASP 545 Cb -0.03 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.68 1p81 h ASP 545 CO -0.06 0.85 0.18 1.56 -1.61 0.00 0.00 179.24 180.16 1p81 h GLN 546 N 1.19 0.98 -0.14 0.28 1.08 -0.82 -2.69 115.11 114.99 1p81 h GLN 546 Ca 0.30 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1p81 h GLN 546 Cb 0.03 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1p81 h GLN 546 CO -0.05 0.88 0.03 -0.07 -0.95 0.00 0.00 178.83 178.67 1p81 h LEU 547 N 0.91 0.18 -1.88 1.46 3.38 -0.24 -1.33 115.31 117.78 1p81 h LEU 547 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1p81 h LEU 547 Cb 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1p81 h LEU 547 CO -0.00 0.19 -0.04 0.00 0.09 0.00 0.00 178.44 178.68 1p81 h ALA 548 N 1.84 1.04 -0.00 1.53 0.00 -1.00 -0.52 119.26 122.15 1p81 h ALA 548 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p81 h ALA 548 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1p81 h ALA 548 CO -0.00 0.04 -0.11 0.72 0.00 0.00 0.00 179.25 179.90 1p81 n HIS 549 N -3.19 0.00 -0.11 0.00 8.25 -0.51 -4.21 115.22 115.45 1p81 n HIS 549 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 1p81 n HIS 549 Cb 0.25 -0.39 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 1p81 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p81 n ILE 550 N -1.41 1.44 -3.64 1.59 5.41 -0.30 -4.24 119.36 118.21 1p81 n ILE 550 Ca 0.08 -0.20 -0.06 0.00 1.00 0.00 0.00 62.75 63.57 1p81 n ILE 550 Cb 0.32 -1.99 -0.07 0.00 -0.71 0.00 0.00 39.64 37.19 1p81 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p81 s ASP 551 N -6.89 -0.84 0.20 4.38 -1.08 -0.62 -4.65 116.67 107.16 1p81 s ASP 551 Ca -0.33 1.35 -0.06 0.00 -0.52 0.00 0.00 52.55 52.98 1p81 s ASP 551 Cb 0.11 1.34 0.13 0.00 -1.46 0.00 0.00 42.92 43.04 1p81 s ASP 551 CO 0.44 -0.21 1.59 0.25 0.52 0.00 0.00 175.17 177.76 1p81 h LEU 552 N 6.71 0.83 -0.06 -1.34 7.12 -1.81 -1.49 115.31 125.27 1p81 h LEU 552 Ca -0.30 -0.32 -0.00 0.00 0.13 0.00 0.00 57.88 57.39 1p81 h LEU 552 Cb 1.22 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1p81 h LEU 552 CO 0.17 1.05 0.03 0.74 -0.13 0.00 0.00 178.44 180.30 1p81 h THR 553 N 0.70 1.06 -0.25 1.05 2.02 -1.97 0.47 112.91 115.98 1p81 h THR 553 Ca 0.09 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1p81 h THR 553 Cb 0.79 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1p81 h THR 553 CO 0.07 0.05 0.04 0.25 0.37 0.00 0.00 175.52 176.29 1p81 h LEU 554 N 0.03 -0.01 -0.83 2.58 6.46 -1.90 -1.99 115.31 119.66 1p81 h LEU 554 Ca 0.02 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1p81 h LEU 554 Cb 0.05 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1p81 h LEU 554 CO -0.00 0.03 0.37 0.00 -0.62 0.00 0.00 178.44 178.21 1p81 h ALA 555 N 1.19 1.07 -0.55 1.25 0.00 -1.03 -2.16 119.26 119.03 1p81 h ALA 555 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1p81 h ALA 555 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1p81 h ALA 555 CO -0.16 0.67 0.02 1.96 0.00 0.00 0.00 179.25 181.74 1p81 h GLN 556 N 1.19 0.95 -0.43 0.00 4.20 -0.75 0.80 115.11 121.07 1p81 h GLN 556 Ca 0.28 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1p81 h GLN 556 Cb 0.17 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1p81 h GLN 556 CO -0.03 0.95 -0.14 0.00 -0.67 0.00 0.00 178.83 178.94 1p81 h ALA 557 N 0.97 0.60 -0.22 3.87 0.00 -1.19 -0.33 119.26 122.95 1p81 h ALA 557 Ca 0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1p81 h ALA 557 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1p81 h ALA 557 CO 0.02 0.51 -0.08 0.28 0.00 0.00 0.00 179.25 179.99 1p81 h VAL 558 N 0.68 1.29 -0.38 0.00 2.07 -1.32 -2.65 116.25 115.94 1p81 h VAL 558 Ca 0.10 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1p81 h VAL 558 Cb 0.69 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1p81 h VAL 558 CO 0.05 0.34 0.12 0.00 0.02 0.00 0.00 177.57 178.09 1p81 h ALA 559 N 0.73 0.44 -0.41 1.67 0.00 -0.68 -1.97 119.26 119.04 1p81 h ALA 559 Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1p81 h ALA 559 Cb 0.55 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1p81 h ALA 559 CO 0.03 -0.28 0.08 -0.22 0.00 0.00 0.00 179.25 178.86 1p81 h LYS 560 N 0.26 0.20 0.00 0.00 3.64 -1.03 -0.28 116.57 119.36 1p81 h LYS 560 Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1p81 h LYS 560 Cb 0.18 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1p81 h LYS 560 CO -0.20 0.13 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.17 1p81 h ASN 561 N 0.21 0.00 -0.32 4.20 2.35 -1.03 -2.30 115.58 118.69 1p81 h ASN 561 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1p81 h ASN 561 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1p81 h ASN 561 CO -0.26 0.03 0.00 0.18 -1.65 0.00 0.00 177.43 175.73 1p81 n LEU 562 N -3.35 3.29 -1.88 1.61 4.77 -0.24 -4.96 117.00 116.23 1p81 n LEU 562 Ca -0.02 -1.37 -0.16 0.00 -0.03 0.00 0.00 56.01 54.43 1p81 n LEU 562 Cb 0.15 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1p81 n LEU 562 CO 0.25 0.68 -0.19 0.61 -1.33 0.00 0.00 177.39 177.41 1p81 n GLY 563 N 1.47 -0.30 3.64 -0.72 0.00 -0.54 -5.01 105.19 103.73 1p81 n GLY 563 Ca 0.18 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1p81 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 564 N -2.82 4.21 -0.18 -0.61 1.01 -0.46 -5.02 121.20 117.34 1p81 s ILE 564 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1p81 s ILE 564 Cb -0.01 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1p81 s ILE 564 CO 0.02 0.57 0.04 -1.61 0.00 0.00 0.00 174.94 173.96 1p81 s GLU 565 N -0.56 3.90 0.37 2.79 2.02 -1.26 -3.88 118.70 122.07 1p81 s GLU 565 Ca 0.09 -0.39 -0.27 0.00 0.02 0.00 0.00 54.97 54.43 1p81 s GLU 565 Cb -0.12 -3.14 -0.09 0.00 0.10 0.00 0.00 34.13 30.88 1p81 s GLU 565 CO 0.02 0.26 1.20 -0.51 0.02 0.00 0.00 175.26 176.26 1p81 s LEU 566 N 0.37 4.30 0.91 1.80 1.43 -1.26 -5.02 118.68 121.21 1p81 s LEU 566 Ca 0.01 2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 1p81 s LEU 566 Cb -0.13 -3.87 0.14 0.00 0.03 0.00 0.00 46.19 42.36 1p81 s LEU 566 CO 0.01 -0.59 1.15 0.42 0.23 0.00 0.00 176.35 177.58 1p81 s THR 567 N -1.30 1.98 0.30 5.49 -4.23 -1.26 -4.86 115.64 111.76 1p81 s THR 567 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1p81 s THR 567 Cb -0.34 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 70.85 1p81 s THR 567 CO 0.43 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.76 1p81 h ASP 568 N -1.50 0.59 -0.78 3.99 3.45 -1.99 -1.55 116.42 118.62 1p81 h ASP 568 Ca -0.49 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 56.82 1p81 h ASP 568 Cb 1.32 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.90 1p81 h ASP 568 CO 0.60 0.68 0.42 0.44 -1.57 0.00 0.00 179.24 179.80 1p81 h ASP 569 N 0.58 0.99 -0.34 6.45 3.32 -1.98 -2.70 116.42 122.74 1p81 h ASP 569 Ca 0.12 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1p81 h ASP 569 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1p81 h ASP 569 CO 0.02 0.81 -0.22 1.56 -1.72 0.00 0.00 179.24 179.69 1p81 h GLN 570 N 1.09 0.83 0.00 3.56 4.20 -1.83 -2.59 115.11 120.37 1p81 h GLN 570 Ca 0.27 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1p81 h GLN 570 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1p81 h GLN 570 CO -0.04 0.97 0.00 -0.07 -0.67 0.00 0.00 178.83 179.02 1p81 h LEU 571 N 0.72 0.00 -2.90 1.46 3.38 -1.00 -2.72 115.31 114.25 1p81 h LEU 571 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1p81 h LEU 571 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1p81 h LEU 571 CO 0.06 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1p81 n ASN 572 N -3.04 3.02 -4.71 -0.43 3.02 -1.00 -4.98 115.26 107.15 1p81 n ASN 572 Ca -0.01 -2.05 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 1p81 n ASN 572 Cb 0.17 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1p81 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p81 s ILE 573 N -1.08 2.68 0.19 2.41 1.01 -1.03 -4.92 121.20 120.46 1p81 s ILE 573 Ca 0.25 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1p81 s ILE 573 Cb 0.14 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1p81 s ILE 573 CO 0.16 0.02 1.10 0.28 0.00 0.00 0.00 174.94 176.50 1p81 s THR 574 N 1.80 3.80 0.60 2.92 -1.32 -1.26 -4.97 115.64 117.20 1p81 s THR 574 Ca 0.73 1.59 -0.19 0.00 -1.21 0.00 0.00 61.69 62.61 1p81 s THR 574 Cb -0.43 -4.01 -0.03 0.00 -1.51 0.00 0.00 72.50 66.51 1p81 s THR 574 CO 0.32 0.29 1.22 -2.16 -2.21 0.00 0.00 174.62 172.08 1p81 s PRO 575 N -0.54 2.95 0.72 7.08 0.04 -1.26 -4.96 135.00 139.04 1p81 s PRO 575 Ca 0.49 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 1p81 s PRO 575 Cb -0.30 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1p81 s PRO 575 CO 0.36 -1.23 1.14 -1.25 0.04 0.00 0.00 177.00 176.06 1p81 s PRO 576 N -3.33 2.33 0.83 0.56 0.04 -1.26 -4.98 135.00 129.20 1p81 s PRO 576 Ca 0.78 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1p81 s PRO 576 Cb -0.31 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.44 1p81 s PRO 576 CO 0.34 -1.63 1.12 -1.25 0.04 0.00 0.00 177.00 175.61 1p81 s PRO 577 N -4.20 1.74 0.95 0.56 0.04 -1.26 -4.92 135.00 127.92 1p81 s PRO 577 Ca 0.68 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1p81 s PRO 577 Cb -0.23 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.65 1p81 s PRO 577 CO 0.46 -2.06 1.11 -0.51 0.04 0.00 0.00 177.00 176.05 1p81 s ASP 578 N -3.06 2.67 -0.49 6.66 -0.00 -1.26 -4.68 116.67 116.51 1p81 s ASP 578 Ca 0.64 1.96 -0.20 0.00 -0.00 0.00 0.00 52.55 54.95 1p81 s ASP 578 Cb -0.20 -2.48 0.04 0.00 -0.00 0.00 0.00 42.92 40.29 1p81 s ASP 578 CO 0.56 -3.22 0.64 -0.69 -0.00 0.00 0.00 175.17 172.47 1p81 s VAL 579 N -2.65 4.83 -1.49 -1.27 1.01 -1.17 -4.43 120.40 115.23 1p81 s VAL 579 Ca 0.66 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1p81 s VAL 579 Cb -0.22 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.92 1p81 s VAL 579 CO 0.59 -0.75 0.50 0.59 0.00 0.00 0.00 175.10 176.03 1p81 n ASN 580 N 6.27 -1.09 0.00 3.32 4.13 -1.26 -1.34 115.26 125.28 1p81 n ASN 580 Ca -0.05 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.20 1p81 n ASN 580 Cb 0.46 -2.94 0.00 0.00 -1.54 0.00 0.00 39.78 35.77 1p81 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p81 n GLY 581 N -1.87 1.76 3.75 7.41 0.00 -1.26 -5.01 105.19 109.96 1p81 n GLY 581 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1p81 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 582 N 0.00 4.42 0.00 0.99 1.02 -0.45 -4.95 118.68 119.71 1p81 s LEU 582 Ca 0.00 1.29 0.15 0.00 0.02 0.00 0.00 54.13 55.59 1p81 s LEU 582 Cb 0.00 -3.07 0.31 0.00 0.02 0.00 0.00 46.19 43.45 1p81 s LEU 582 CO 0.00 0.04 1.22 0.29 0.02 0.00 0.00 176.35 177.92 1p81 n LYS 583 N 2.88 2.18 0.00 1.70 5.02 -1.26 -3.05 118.16 125.63 1p81 n LYS 583 Ca -0.04 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 1p81 n LYS 583 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1p81 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p81 n LYS 584 N 0.91 0.00 -3.34 1.97 2.85 -1.26 -4.71 118.16 114.58 1p81 n LYS 584 Ca 0.14 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.30 1p81 n LYS 584 Cb 0.46 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.76 1p81 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p81 s ASP 585 N 0.00 0.35 0.63 -5.58 3.68 -1.26 -5.00 116.67 109.49 1p81 s ASP 585 Ca 0.00 0.00 0.41 0.00 2.13 0.00 0.00 52.55 55.10 1p81 s ASP 585 Cb 0.00 1.09 2.25 0.00 -1.45 0.00 0.00 42.92 44.81 1p81 s ASP 585 CO 0.00 -0.32 2.27 -0.65 0.13 0.00 0.00 175.17 176.60 1p81 h PRO 586 N 8.18 0.00 0.00 4.34 0.11 -1.97 -1.13 132.00 141.53 1p81 h PRO 586 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1p81 h PRO 586 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p81 h PRO 586 CO 0.27 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.72 1p81 h SER 587 N 0.00 0.00 1.13 -2.05 4.64 -1.96 -2.42 113.55 112.89 1p81 h SER 587 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p81 h SER 587 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1p81 h SER 587 CO 0.00 0.00 -0.12 0.18 -0.87 0.00 0.00 176.83 176.02 1p81 n LEU 588 N -2.38 0.47 -4.84 5.97 4.77 -0.43 -4.84 117.00 115.72 1p81 n LEU 588 Ca 0.01 0.45 -0.35 0.00 -0.03 0.00 0.00 56.01 56.09 1p81 n LEU 588 Cb 0.17 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1p81 n LEU 588 CO 0.18 -0.07 0.25 -0.55 -1.33 0.00 0.00 177.39 175.87 1p81 s SER 589 N -3.77 6.82 0.15 -1.43 0.15 -0.91 -4.91 113.70 109.80 1p81 s SER 589 Ca 0.11 1.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.80 1p81 s SER 589 Cb 0.15 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1p81 s SER 589 CO 0.60 0.08 1.39 -0.07 1.20 0.00 0.00 173.24 176.43 1p81 h LEU 590 N 3.43 0.67 -0.18 3.45 3.38 -1.88 -3.40 115.31 120.79 1p81 h LEU 590 Ca -0.48 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1p81 h LEU 590 Cb 1.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1p81 h LEU 590 CO 0.66 1.20 -0.11 -1.22 0.09 0.00 0.00 178.44 179.06 1p81 n TYR 591 N -3.88 0.00 -0.29 1.13 4.01 -1.26 -4.73 117.16 112.14 1p81 n TYR 591 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.72 1p81 n TYR 591 Cb 0.72 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.92 1p81 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p81 h ALA 592 N 0.42 1.19 -3.20 -0.72 0.00 -1.86 -3.34 119.26 111.75 1p81 h ALA 592 Ca 0.00 0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.26 1p81 h ALA 592 Cb 0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 17.45 1p81 h ALA 592 CO 0.00 0.06 -0.61 0.42 0.00 0.00 0.00 179.25 179.12 1p81 s ILE 593 N -6.02 3.56 -0.02 0.00 -1.09 -1.26 -5.07 121.20 111.30 1p81 s ILE 593 Ca -0.12 -1.35 -0.39 0.00 -2.23 0.00 0.00 60.65 56.56 1p81 s ILE 593 Cb 0.20 -3.10 -0.18 0.00 -1.58 0.00 0.00 42.46 37.80 1p81 s ILE 593 CO 0.78 -0.27 1.31 -0.81 -1.23 0.00 0.00 174.94 174.72 1p81 n PRO 594 N 4.75 0.69 -2.81 2.79 -0.04 -1.25 -4.88 135.00 134.24 1p81 n PRO 594 Ca -0.11 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1p81 n PRO 594 Cb 0.44 -1.84 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1p81 n PRO 594 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1p81 n ASP 595 N 2.56 1.04 -4.77 3.54 5.75 -1.26 -5.13 116.55 118.28 1p81 n ASP 595 Ca 0.21 -2.07 -0.41 0.00 -0.01 0.00 0.00 54.79 52.51 1p81 n ASP 595 Cb 0.13 -0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1p81 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1p81 s GLY 596 N -3.33 2.87 -0.20 6.12 0.00 -1.26 -4.12 107.32 107.41 1p81 s GLY 596 Ca 0.24 1.41 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 1p81 s GLY 596 CO -0.05 2.12 0.28 -0.35 0.00 0.00 0.00 173.10 175.10 1p81 s ASP 597 N -0.22 0.78 0.31 1.64 -1.08 -1.25 -4.95 116.67 111.89 1p81 s ASP 597 Ca 0.52 0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.92 1p81 s ASP 597 Cb -0.43 0.68 0.42 0.00 -1.46 0.00 0.00 42.92 42.13 1p81 s ASP 597 CO 0.56 -0.30 1.55 1.62 0.52 0.00 0.00 175.17 179.12 1p81 h VAL 598 N 6.27 0.00 -3.08 1.11 3.04 -1.89 -3.45 116.25 118.25 1p81 h VAL 598 Ca -0.17 -0.80 -0.53 0.00 -1.01 0.00 0.00 66.70 64.19 1p81 h VAL 598 Cb 1.14 1.69 0.06 0.00 -2.01 0.00 0.00 31.29 32.17 1p81 h VAL 598 CO 0.24 0.00 0.87 -0.75 -1.01 0.00 0.00 177.57 176.92 1p81 s LYS 599 N -3.20 4.19 0.00 4.17 2.20 -1.25 -1.38 119.74 124.47 1p81 s LYS 599 Ca 0.07 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1p81 s LYS 599 Cb 0.09 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1p81 s LYS 599 CO 0.67 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1p81 n GLY 600 N 2.96 1.25 3.82 5.54 0.00 0.25 -4.98 105.19 114.03 1p81 n GLY 600 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1p81 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p81 s ARG 601 N -0.49 1.06 0.01 1.61 1.81 -0.48 -4.79 118.95 117.67 1p81 s ARG 601 Ca 0.00 0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.12 1p81 s ARG 601 Cb 0.00 -1.85 -0.01 0.00 -0.45 0.00 0.00 34.95 32.65 1p81 s ARG 601 CO 0.00 -2.22 -0.01 0.54 -0.68 0.00 0.00 175.30 172.93 1p81 s VAL 602 N -3.42 0.07 -0.06 3.52 0.11 -1.26 -0.86 120.40 118.50 1p81 s VAL 602 Ca 0.66 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 1p81 s VAL 602 Cb -0.12 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1p81 s VAL 602 CO 0.52 -0.14 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.26 1p81 s VAL 603 N -0.45 2.55 -0.04 2.04 1.01 0.50 -0.91 120.40 125.10 1p81 s VAL 603 Ca -0.05 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1p81 s VAL 603 Cb -0.03 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1p81 s VAL 603 CO -0.00 0.57 0.65 0.00 0.00 0.00 0.00 175.10 176.32 1p81 s ALA 604 N -0.39 3.40 -0.24 5.51 0.00 -0.08 -1.48 121.76 128.49 1p81 s ALA 604 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1p81 s ALA 604 Cb -0.12 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.17 1p81 s ALA 604 CO 0.02 0.02 -0.08 0.42 0.00 0.00 0.00 175.76 176.14 1p81 s ILE 605 N 0.33 2.77 -0.45 0.00 1.01 -0.54 -1.08 121.20 123.24 1p81 s ILE 605 Ca 0.34 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1p81 s ILE 605 Cb -0.18 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1p81 s ILE 605 CO 0.18 0.22 0.75 -0.76 0.00 0.00 0.00 174.94 175.33 1p81 s LEU 606 N 1.31 4.31 0.61 2.97 1.43 -0.72 -0.82 118.68 127.78 1p81 s LEU 606 Ca 0.00 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1p81 s LEU 606 Cb -0.16 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1p81 s LEU 606 CO -0.05 -0.89 0.92 -0.76 0.23 0.00 0.00 176.35 175.80 1p81 s LEU 607 N 3.18 3.15 0.31 1.79 1.43 -0.04 -4.31 118.68 124.19 1p81 s LEU 607 Ca 0.28 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1p81 s LEU 607 Cb -0.13 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1p81 s LEU 607 CO 0.22 -1.17 0.15 0.54 0.23 0.00 0.00 176.35 176.31 1p81 s ASN 608 N -4.35 1.61 0.00 2.29 2.20 -1.26 -4.82 114.94 110.61 1p81 s ASN 608 Ca 0.55 -1.54 0.00 0.00 -0.94 0.00 0.00 52.86 50.94 1p81 s ASN 608 Cb -0.11 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.49 1p81 s ASN 608 CO 0.45 -0.86 0.90 -0.90 -2.94 0.00 0.00 177.10 173.75 1p81 n ASP 609 N -0.89 0.08 -2.81 3.54 3.85 -1.26 -3.90 116.55 115.17 1p81 n ASP 609 Ca 0.00 -1.88 -0.10 0.00 -0.71 0.00 0.00 54.79 52.10 1p81 n ASP 609 Cb 0.65 -0.04 0.06 0.00 -1.35 0.00 0.00 41.12 40.44 1p81 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p81 n GLU 610 N -0.45 0.95 -1.78 0.11 2.13 -1.26 -4.38 120.64 115.96 1p81 n GLU 610 Ca 0.00 -2.10 -0.39 0.00 0.66 0.00 0.00 57.16 55.33 1p81 n GLU 610 Cb 0.02 -1.21 0.03 0.00 0.27 0.00 0.00 31.44 30.55 1p81 n GLU 610 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1p81 s VAL 611 N 0.00 2.05 -0.53 6.31 1.01 -1.25 -2.96 120.40 125.03 1p81 s VAL 611 Ca 0.27 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1p81 s VAL 611 Cb 0.28 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1p81 s VAL 611 CO -0.10 0.00 1.79 -0.60 0.00 0.00 0.00 175.10 176.19 1p81 s ARG 612 N -2.76 2.90 0.54 2.72 3.52 -0.84 -1.31 118.95 123.72 1p81 s ARG 612 Ca 0.68 0.81 0.24 0.00 -0.13 0.00 0.00 55.73 57.33 1p81 s ARG 612 Cb -0.42 -4.30 1.43 0.00 -1.56 0.00 0.00 34.95 30.10 1p81 s ARG 612 CO 0.51 -2.40 2.06 0.66 -0.81 0.00 0.00 175.30 175.33 1p81 h SER 613 N 13.91 0.00 -0.34 -2.12 4.64 -1.91 -0.62 113.55 127.12 1p81 h SER 613 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1p81 h SER 613 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1p81 h SER 613 CO 1.16 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 177.17 1p81 h ALA 614 N 1.81 1.29 -0.15 5.18 0.00 -1.99 0.73 119.26 126.12 1p81 h ALA 614 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1p81 h ALA 614 Cb 0.62 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1p81 h ALA 614 CO -0.00 0.49 -0.20 -0.44 0.00 0.00 0.00 179.25 179.10 1p81 h ASP 615 N 0.63 0.43 -0.72 0.00 3.45 -1.51 -2.67 116.42 116.04 1p81 h ASP 615 Ca 0.14 -0.51 -0.04 0.00 0.43 0.00 0.00 57.03 57.04 1p81 h ASP 615 Cb 0.33 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1p81 h ASP 615 CO 0.01 0.86 0.29 0.25 -1.57 0.00 0.00 179.24 179.08 1p81 h LEU 616 N 0.02 1.00 -0.34 1.55 6.46 -1.33 0.18 115.31 122.85 1p81 h LEU 616 Ca 0.02 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1p81 h LEU 616 Cb 0.76 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1p81 h LEU 616 CO 0.05 0.90 0.21 -0.07 -0.62 0.00 0.00 178.44 178.90 1p81 h LEU 617 N 1.04 0.35 -0.28 2.25 3.38 -0.89 0.84 115.31 121.98 1p81 h LEU 617 Ca 0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1p81 h LEU 617 Cb 0.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1p81 h LEU 617 CO -0.02 0.25 0.13 0.00 0.09 0.00 0.00 178.44 178.90 1p81 h ALA 618 N 1.14 0.37 0.67 1.53 0.00 -1.06 -2.06 119.26 119.85 1p81 h ALA 618 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1p81 h ALA 618 Cb -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1p81 h ALA 618 CO -0.05 -0.07 -0.32 0.82 0.00 0.00 0.00 179.25 179.63 1p81 h ILE 619 N 0.32 0.29 -1.00 0.00 2.04 -0.29 -2.57 117.51 116.30 1p81 h ILE 619 Ca 0.10 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1p81 h ILE 619 Cb 0.13 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1p81 h ILE 619 CO -0.01 0.02 0.66 -0.07 0.00 0.00 0.00 178.15 178.74 1p81 h LEU 620 N -1.00 1.11 -0.63 1.44 3.38 -0.86 -1.97 115.31 116.78 1p81 h LEU 620 Ca -0.09 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1p81 h LEU 620 Cb 0.72 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1p81 h LEU 620 CO 0.15 0.77 -0.53 0.50 0.09 0.00 0.00 178.44 179.42 1p81 h LYS 621 N 1.29 0.42 -0.41 1.13 3.64 -1.40 -1.40 116.57 119.84 1p81 h LYS 621 Ca 0.39 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1p81 h LYS 621 Cb -0.05 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1p81 h LYS 621 CO -0.11 0.85 -0.07 0.00 -2.27 0.00 0.00 179.45 177.84 1p81 h ALA 622 N 1.11 0.56 -0.11 5.00 0.00 -1.05 -2.12 119.26 122.63 1p81 h ALA 622 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1p81 h ALA 622 Cb 1.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1p81 h ALA 622 CO 0.09 0.41 0.06 -0.07 0.00 0.00 0.00 179.25 179.74 1p81 h LEU 623 N 0.58 0.14 -1.36 0.00 3.38 -1.26 -3.10 115.31 113.68 1p81 h LEU 623 Ca 0.11 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1p81 h LEU 623 Cb 0.59 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1p81 h LEU 623 CO 0.04 0.17 0.44 0.50 0.09 0.00 0.00 178.44 179.67 1p81 h LYS 624 N 0.09 0.84 0.00 1.13 3.11 -1.20 -0.60 116.57 119.94 1p81 h LYS 624 Ca 0.04 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1p81 h LYS 624 Cb 0.06 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.10 1p81 h LYS 624 CO -0.01 0.55 -0.04 0.00 -2.81 0.00 0.00 179.45 177.15 1p81 h ALA 625 N 1.60 1.07 -0.31 5.00 0.00 -1.31 -2.36 119.26 122.95 1p81 h ALA 625 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1p81 h ALA 625 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p81 h ALA 625 CO -0.06 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.87 1p81 n LYS 626 N -3.23 2.17 -1.70 0.00 4.76 -0.47 -4.97 118.16 114.72 1p81 n LYS 626 Ca -0.01 -1.96 -0.06 0.00 -2.87 0.00 0.00 58.31 53.41 1p81 n LYS 626 Cb 0.23 -1.36 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1p81 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p81 n GLY 627 N 0.96 0.44 3.70 0.72 0.00 -0.87 -3.81 105.19 106.33 1p81 n GLY 627 Ca 0.14 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1p81 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 628 N -2.26 5.36 0.57 1.61 1.01 -0.36 -0.59 120.40 125.75 1p81 s VAL 628 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1p81 s VAL 628 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1p81 s VAL 628 CO 0.00 0.39 0.90 -1.00 0.00 0.00 0.00 175.10 175.39 1p81 s HIS 629 N 0.68 3.46 0.06 5.22 3.76 -0.04 -3.87 115.29 124.57 1p81 s HIS 629 Ca 0.10 0.88 0.03 0.00 -0.15 0.00 0.00 55.06 55.91 1p81 s HIS 629 Cb -0.12 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1p81 s HIS 629 CO 0.02 -0.62 -0.08 0.00 -0.85 0.00 0.00 174.74 173.20 1p81 s ALA 630 N -2.97 0.77 -0.09 -1.40 0.00 -1.26 -0.37 121.76 116.44 1p81 s ALA 630 Ca 0.52 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1p81 s ALA 630 Cb -0.11 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1p81 s ALA 630 CO 0.47 -0.05 -0.04 -1.59 0.00 0.00 0.00 175.76 174.55 1p81 s LYS 631 N -2.18 1.10 -0.29 0.00 -2.85 -0.55 -4.90 119.74 110.06 1p81 s LYS 631 Ca -0.03 -0.09 -0.26 0.00 -1.00 0.00 0.00 55.97 54.58 1p81 s LYS 631 Cb -0.06 -1.28 0.01 0.00 -2.06 0.00 0.00 37.83 34.44 1p81 s LYS 631 CO -0.01 -0.26 0.94 -0.51 0.10 0.00 0.00 175.35 175.61 1p81 s LEU 632 N 1.75 4.03 0.09 2.77 1.43 -1.26 -1.46 118.68 126.02 1p81 s LEU 632 Ca 0.04 0.96 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1p81 s LEU 632 Cb -0.13 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1p81 s LEU 632 CO -0.06 -0.71 -0.08 -0.76 0.23 0.00 0.00 176.35 174.96 1p81 s LEU 633 N 3.24 3.11 0.00 1.79 1.02 0.00 -0.67 118.68 127.17 1p81 s LEU 633 Ca 0.39 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.20 1p81 s LEU 633 Cb -0.14 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.21 1p81 s LEU 633 CO 0.12 0.19 0.28 0.00 0.02 0.00 0.00 176.35 176.96 1p81 n TYR 634 N 0.82 -1.07 1.51 0.29 9.36 -0.89 -0.86 117.16 126.32 1p81 n TYR 634 Ca -0.13 -1.21 0.14 0.00 3.32 0.00 0.00 57.90 60.02 1p81 n TYR 634 Cb 0.52 0.32 0.65 0.00 -0.63 0.00 0.00 39.34 40.20 1p81 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p81 n SER 635 N -1.79 0.57 -3.80 2.98 3.41 -1.26 -1.68 113.62 112.05 1p81 n SER 635 Ca -0.00 -0.79 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 1p81 n SER 635 Cb 0.31 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1p81 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 s ARG 636 N -2.33 1.69 0.78 4.33 1.70 -1.26 -4.90 118.95 118.97 1p81 s ARG 636 Ca 0.33 -1.27 -0.02 0.00 -0.47 0.00 0.00 55.73 54.30 1p81 s ARG 636 Cb 0.20 0.51 0.16 0.00 -0.57 0.00 0.00 34.95 35.25 1p81 s ARG 636 CO 0.44 -0.73 1.07 -1.64 -1.08 0.00 0.00 175.30 173.36 1p81 s MET 637 N -3.75 1.35 0.00 3.89 -1.94 -1.26 -4.74 119.30 112.85 1p81 s MET 637 Ca 0.21 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1p81 s MET 637 Cb -0.02 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.56 1p81 s MET 637 CO 0.10 -1.72 0.00 0.41 -0.01 0.00 0.00 175.02 173.80 1p81 n GLY 638 N -3.03 0.66 3.12 -0.03 0.00 -1.26 -5.00 105.19 99.65 1p81 n GLY 638 Ca 0.17 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1p81 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p81 s GLU 639 N 0.00 0.69 0.11 1.61 2.02 -1.26 -1.19 118.70 120.69 1p81 s GLU 639 Ca 0.00 -1.20 0.06 0.00 0.02 0.00 0.00 54.97 53.85 1p81 s GLU 639 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 1p81 s GLU 639 CO 0.00 -0.05 -0.13 0.14 0.02 0.00 0.00 175.26 175.24 1p81 s VAL 640 N -3.42 1.26 -0.20 2.63 -7.23 -0.79 -4.98 120.40 107.68 1p81 s VAL 640 Ca 0.06 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1p81 s VAL 640 Cb 0.04 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1p81 s VAL 640 CO -0.06 -0.42 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.36 1p81 s THR 641 N -2.12 3.44 1.19 5.32 2.01 -1.26 -0.44 115.64 123.77 1p81 s THR 641 Ca 0.08 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 1p81 s THR 641 Cb -0.05 -2.54 0.28 0.00 0.01 0.00 0.00 72.50 70.20 1p81 s THR 641 CO 0.03 0.45 1.05 0.00 -0.69 0.00 0.00 174.62 175.45 1p81 s ALA 642 N 1.10 0.14 0.47 7.40 0.00 0.16 -4.18 121.76 126.85 1p81 s ALA 642 Ca 0.01 -0.58 0.21 0.00 0.00 0.00 0.00 51.96 51.60 1p81 s ALA 642 Cb -0.15 -3.04 1.21 0.00 0.00 0.00 0.00 23.12 21.15 1p81 s ALA 642 CO -0.00 -3.66 1.91 0.38 0.00 0.00 0.00 175.76 174.38 1p81 h ASP 643 N -2.58 0.24 -0.65 0.00 3.04 -1.39 -0.82 116.42 114.25 1p81 h ASP 643 Ca -0.52 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1p81 h ASP 643 Cb 1.33 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1p81 h ASP 643 CO 0.44 0.11 0.00 -0.90 -2.04 0.00 0.00 179.24 176.85 1p81 n ASP 644 N -4.43 3.55 0.00 4.15 3.85 -1.26 -4.92 116.55 117.49 1p81 n ASP 644 Ca 0.16 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 1p81 n ASP 644 Cb 0.67 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1p81 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p81 n GLY 645 N 1.56 0.81 3.70 6.12 0.00 -0.31 -5.03 105.19 112.02 1p81 n GLY 645 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1p81 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p81 s THR 646 N -2.75 2.73 -0.19 2.61 2.01 -1.26 -4.66 115.64 114.14 1p81 s THR 646 Ca 0.00 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 1p81 s THR 646 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1p81 s THR 646 CO 0.00 0.00 0.77 -0.69 -0.69 0.00 0.00 174.62 174.02 1p81 s VAL 647 N 2.37 4.91 -0.26 3.82 1.01 -1.26 0.35 120.40 131.34 1p81 s VAL 647 Ca 0.76 1.49 -0.06 0.00 0.00 0.00 0.00 61.98 64.17 1p81 s VAL 647 Cb -0.43 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1p81 s VAL 647 CO 0.33 0.03 0.04 -0.76 0.00 0.00 0.00 175.10 174.75 1p81 s LEU 648 N 2.19 3.47 0.15 3.92 1.02 0.42 -4.98 118.68 124.87 1p81 s LEU 648 Ca 0.35 -0.50 -0.30 0.00 0.02 0.00 0.00 54.13 53.70 1p81 s LEU 648 Cb -0.16 -1.85 -0.07 0.00 0.02 0.00 0.00 46.19 44.13 1p81 s LEU 648 CO 0.11 -0.10 1.08 -2.16 0.02 0.00 0.00 176.35 175.30 1p81 s PRO 649 N 1.52 4.60 -0.12 1.29 0.04 -1.26 -1.89 135.00 139.17 1p81 s PRO 649 Ca 0.04 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1p81 s PRO 649 Cb -0.16 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1p81 s PRO 649 CO 0.01 0.07 0.34 0.42 0.04 0.00 0.00 177.00 177.88 1p81 s ILE 650 N -0.06 5.25 -0.01 0.56 1.01 -0.33 -4.80 121.20 122.82 1p81 s ILE 650 Ca 0.50 0.66 -0.17 0.00 0.00 0.00 0.00 60.65 61.63 1p81 s ILE 650 Cb -0.28 -3.67 -0.33 0.00 0.01 0.00 0.00 42.46 38.19 1p81 s ILE 650 CO 0.33 0.42 0.90 0.00 0.00 0.00 0.00 174.94 176.60 1p81 h ALA 651 N 6.24 -0.09 -2.65 9.38 0.00 -1.23 -3.41 119.26 127.50 1p81 h ALA 651 Ca -0.44 -0.85 0.11 0.00 0.00 0.00 0.00 54.91 53.73 1p81 h ALA 651 Cb 1.18 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1p81 h ALA 651 CO 0.72 0.63 0.36 0.00 0.00 0.00 0.00 179.25 180.96 1p81 s ALA 652 N -2.53 -1.51 0.67 0.00 0.00 -1.22 -5.04 121.76 112.13 1p81 s ALA 652 Ca -0.12 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 1p81 s ALA 652 Cb 0.03 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1p81 s ALA 652 CO 0.89 -0.97 0.96 0.95 0.00 0.00 0.00 175.76 177.59 1p81 s THR 653 N -3.55 2.52 0.22 0.00 -4.23 -1.26 -2.09 115.64 107.25 1p81 s THR 653 Ca 0.10 -0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1p81 s THR 653 Cb -0.03 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1p81 s THR 653 CO 0.01 -0.06 1.88 -0.26 -0.54 0.00 0.00 174.62 175.64 1p81 h PHE 654 N -0.44 0.98 0.00 3.99 0.05 -1.65 -1.52 116.94 118.34 1p81 h PHE 654 Ca -0.44 0.02 -0.16 0.00 3.82 0.00 0.00 57.97 61.21 1p81 h PHE 654 Cb 1.31 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.90 1p81 h PHE 654 CO 0.36 0.59 -0.78 0.00 -0.18 0.00 0.00 178.31 178.29 1p81 h ALA 655 N 1.32 0.59 -0.08 2.45 0.00 -1.91 -3.28 119.26 118.34 1p81 h ALA 655 Ca 0.31 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1p81 h ALA 655 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1p81 h ALA 655 CO -0.09 0.98 -0.46 0.78 0.00 0.00 0.00 179.25 180.46 1p81 h GLY 656 N 2.77 0.22 -6.26 0.00 0.00 -1.80 -3.36 103.07 94.64 1p81 h GLY 656 Ca -0.01 -0.22 -0.58 0.00 0.00 0.00 0.00 47.33 46.52 1p81 h GLY 656 CO 0.10 0.20 -0.88 0.00 0.00 0.00 0.00 176.54 175.96 1p81 n ALA 657 N -2.47 3.07 -0.89 3.60 0.00 -0.62 -4.87 120.51 118.33 1p81 n ALA 657 Ca -0.02 -3.84 -0.33 0.00 0.00 0.00 0.00 53.44 49.26 1p81 n ALA 657 Cb 0.51 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.24 1p81 n ALA 657 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p81 n PRO 658 N 1.63 -0.15 0.16 0.00 -0.02 -1.24 -4.85 135.00 130.54 1p81 n PRO 658 Ca 0.25 0.02 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1p81 n PRO 658 Cb 0.47 -2.21 0.79 0.00 -0.02 0.00 0.00 33.50 32.53 1p81 n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p81 h SER 659 N -1.36 0.00 -0.92 2.55 4.64 -1.86 -1.25 113.55 115.35 1p81 h SER 659 Ca -0.44 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.12 1p81 h SER 659 Cb 1.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.33 1p81 h SER 659 CO 0.41 0.00 0.64 -0.07 -0.87 0.00 0.00 176.83 176.93 1p81 h LEU 660 N 0.00 0.18 -0.48 5.97 3.38 -1.94 -2.14 115.31 120.29 1p81 h LEU 660 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1p81 h LEU 660 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1p81 h LEU 660 CO -0.00 0.06 -0.11 0.35 0.09 0.00 0.00 178.44 178.83 1p81 n THR 661 N -4.39 0.00 -4.62 0.22 -2.24 -0.47 -4.91 114.28 97.87 1p81 n THR 661 Ca 0.20 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 1p81 n THR 661 Cb 0.87 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 1p81 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 662 N -2.31 1.64 -0.07 2.28 -7.23 -0.81 -4.94 120.40 108.97 1p81 s VAL 662 Ca 0.32 -1.96 0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1p81 s VAL 662 Cb 0.20 -2.60 -0.27 0.00 0.56 0.00 0.00 36.38 34.27 1p81 s VAL 662 CO 0.44 0.00 0.41 0.47 -0.31 0.00 0.00 175.10 176.11 1p81 n ASP 663 N -1.15 0.96 -3.45 4.85 9.92 -0.09 -5.00 116.55 122.60 1p81 n ASP 663 Ca -0.11 -0.06 -0.11 0.00 -0.53 0.00 0.00 54.79 53.98 1p81 n ASP 663 Cb 0.67 1.75 -0.02 0.00 -0.64 0.00 0.00 41.12 42.88 1p81 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p81 s ALA 664 N -3.19 -1.64 -0.05 2.24 0.00 -1.23 -4.16 121.76 113.73 1p81 s ALA 664 Ca -0.06 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1p81 s ALA 664 Cb 0.11 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1p81 s ALA 664 CO 0.73 -0.76 -0.11 0.08 0.00 0.00 0.00 175.76 175.71 1p81 s VAL 665 N -3.61 1.00 -0.05 0.00 1.01 -0.86 -0.90 120.40 116.98 1p81 s VAL 665 Ca 0.02 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1p81 s VAL 665 Cb -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1p81 s VAL 665 CO -0.12 0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.47 1p81 s ILE 666 N 0.61 1.69 -0.21 2.22 1.01 -0.24 -0.53 121.20 125.75 1p81 s ILE 666 Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1p81 s ILE 666 Cb -0.14 -1.45 0.04 0.00 0.01 0.00 0.00 42.46 40.92 1p81 s ILE 666 CO 0.03 0.48 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1p81 s VAL 667 N 0.01 1.75 0.57 2.92 1.01 0.01 -1.76 120.40 124.92 1p81 s VAL 667 Ca -0.05 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 1p81 s VAL 667 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1p81 s VAL 667 CO 0.03 0.16 0.98 -2.16 0.00 0.00 0.00 175.10 174.11 1p81 s PRO 668 N 1.34 3.69 0.95 2.72 0.04 -1.26 -1.00 135.00 141.48 1p81 s PRO 668 Ca -0.02 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.58 1p81 s PRO 668 Cb -0.17 -2.14 0.23 0.00 0.04 0.00 0.00 34.50 32.46 1p81 s PRO 668 CO -0.08 -0.43 0.88 0.00 0.04 0.00 0.00 177.00 177.41 1p81 n GLY 670 N -3.07 0.47 3.43 0.00 0.00 -1.26 -1.99 105.19 102.77 1p81 n GLY 670 Ca 0.12 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 1p81 n GLY 670 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p81 n ASN 671 N 0.00 5.10 0.29 1.61 4.05 -1.16 -4.79 115.26 120.37 1p81 n ASN 671 Ca 0.00 -2.97 0.16 0.00 0.45 0.00 0.00 54.58 52.23 1p81 n ASN 671 Cb 0.00 -1.61 0.88 0.00 1.23 0.00 0.00 39.78 40.28 1p81 n ASN 671 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1p81 h ILE 672 N 4.80 0.34 0.00 -1.44 1.08 -1.92 -1.97 117.51 118.40 1p81 h ILE 672 Ca 0.37 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1p81 h ILE 672 Cb 0.85 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 1p81 h ILE 672 CO 1.35 0.05 -0.03 0.00 -0.69 0.00 0.00 178.15 178.83 1p81 h ALA 673 N 1.95 1.59 -0.90 1.87 0.00 -1.96 0.20 119.26 122.00 1p81 h ALA 673 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1p81 h ALA 673 Cb 0.22 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1p81 h ALA 673 CO 0.01 0.04 0.59 0.22 0.00 0.00 0.00 179.25 180.11 1p81 h ASP 674 N 0.00 1.01 -0.01 0.00 -0.00 -1.77 -3.27 116.42 112.38 1p81 h ASP 674 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1p81 h ASP 674 Cb 0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.15 1p81 h ASP 674 CO 0.00 0.72 0.00 2.30 -0.00 0.00 0.00 179.24 182.26 1p81 n ILE 675 N -4.48 0.05 -0.21 2.25 -5.35 -0.81 -4.70 119.36 106.10 1p81 n ILE 675 Ca 0.11 -0.52 0.09 0.00 -0.27 0.00 0.00 62.75 62.16 1p81 n ILE 675 Cb 0.04 1.04 0.37 0.00 -1.74 0.00 0.00 39.64 39.36 1p81 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p81 h ALA 676 N 0.60 1.79 -0.40 -1.28 0.00 -0.69 -1.26 119.26 118.02 1p81 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p81 h ALA 676 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p81 h ALA 676 CO 0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 1p81 n ASP 677 N -4.51 4.17 -4.63 0.00 10.43 -1.26 -4.91 116.55 115.84 1p81 n ASP 677 Ca 0.13 -2.71 -0.42 0.00 2.57 0.00 0.00 54.79 54.36 1p81 n ASP 677 Cb 0.34 -0.52 -0.04 0.00 1.84 0.00 0.00 41.12 42.75 1p81 n ASP 677 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p81 s ASN 678 N -1.39 6.81 0.23 -2.24 3.84 -0.48 -4.94 114.94 116.77 1p81 s ASN 678 Ca 0.42 0.94 -0.07 0.00 0.21 0.00 0.00 52.86 54.36 1p81 s ASN 678 Cb 0.31 -2.45 0.33 0.00 -0.55 0.00 0.00 41.25 38.89 1p81 s ASN 678 CO 0.14 -0.62 1.78 1.23 -2.79 0.00 0.00 177.10 176.84 1p81 h GLY 679 N 9.45 1.07 0.98 1.21 0.00 -1.92 -1.80 103.07 112.05 1p81 h GLY 679 Ca -0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1p81 h GLY 679 CO 0.91 0.07 0.20 -0.55 0.00 0.00 0.00 176.54 177.17 1p81 h ASP 680 N 0.62 0.72 -0.47 0.19 3.45 -1.96 0.61 116.42 119.60 1p81 h ASP 680 Ca 0.35 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1p81 h ASP 680 Cb 0.35 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1p81 h ASP 680 CO -0.26 0.71 0.20 0.00 -1.57 0.00 0.00 179.24 178.32 1p81 h ALA 681 N 1.05 0.60 -0.11 3.45 0.00 -1.77 0.21 119.26 122.68 1p81 h ALA 681 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p81 h ALA 681 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p81 h ALA 681 CO -0.01 0.19 0.03 -0.91 0.00 0.00 0.00 179.25 178.56 1p81 h ASN 682 N 0.61 0.16 -0.60 0.00 2.35 -1.24 -3.03 115.58 113.83 1p81 h ASN 682 Ca 0.16 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1p81 h ASN 682 Cb 0.16 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1p81 h ASN 682 CO -0.02 0.32 0.40 0.22 -1.65 0.00 0.00 177.43 176.70 1p81 h TYR 683 N -0.01 0.75 -0.58 1.19 5.03 -0.63 -1.92 116.97 120.80 1p81 h TYR 683 Ca 0.04 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.48 1p81 h TYR 683 Cb 0.22 -0.25 -0.10 0.00 1.55 0.00 0.00 36.73 38.14 1p81 h TYR 683 CO -0.00 0.47 -0.05 -0.92 -1.32 0.00 0.00 178.16 176.34 1p81 h TYR 684 N 0.81 -0.14 -0.33 -3.82 5.03 -0.47 0.10 116.97 118.16 1p81 h TYR 684 Ca 0.22 0.05 -0.16 0.00 2.58 0.00 0.00 58.73 61.42 1p81 h TYR 684 Cb -0.09 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1p81 h TYR 684 CO -0.00 -0.19 -0.41 -0.07 -1.32 0.00 0.00 178.16 176.17 1p81 h LEU 685 N 0.07 0.87 -0.70 2.82 3.38 -1.36 -1.84 115.31 118.55 1p81 h LEU 685 Ca 0.29 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1p81 h LEU 685 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1p81 h LEU 685 CO -0.53 1.17 0.45 0.24 0.09 0.00 0.00 178.44 179.86 1p81 h MET 686 N 0.66 0.94 -0.07 1.13 2.86 -0.55 0.10 114.93 119.99 1p81 h MET 686 Ca 0.05 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1p81 h MET 686 Cb 0.98 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1p81 h MET 686 CO 0.09 0.64 0.01 1.49 1.06 0.00 0.00 176.91 180.20 1p81 h GLU 687 N 0.96 0.12 -0.41 1.72 4.81 -0.78 0.02 114.58 121.02 1p81 h GLU 687 Ca 0.26 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1p81 h GLU 687 Cb -0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1p81 h GLU 687 CO -0.05 0.36 0.03 0.00 -0.73 0.00 0.00 179.01 178.61 1p81 h ALA 688 N 0.76 1.28 -0.23 2.92 0.00 -1.20 -2.16 119.26 120.63 1p81 h ALA 688 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1p81 h ALA 688 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1p81 h ALA 688 CO 0.00 0.49 -0.03 -0.92 0.00 0.00 0.00 179.25 178.79 1p81 h TYR 689 N 0.61 0.48 -1.01 0.00 3.20 -0.64 -1.96 116.97 117.65 1p81 h TYR 689 Ca 0.13 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.99 1p81 h TYR 689 Cb 0.35 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1p81 h TYR 689 CO 0.01 0.63 0.65 -0.22 -1.64 0.00 0.00 178.16 177.59 1p81 h LYS 690 N 0.18 1.08 -0.80 1.82 3.64 -0.68 -2.09 116.57 119.72 1p81 h LYS 690 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1p81 h LYS 690 Cb 0.46 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1p81 h LYS 690 CO 0.02 0.72 0.02 0.72 -2.27 0.00 0.00 179.45 178.65 1p81 n HIS 691 N -4.54 1.10 -2.00 1.91 8.25 -0.84 -4.90 115.22 114.20 1p81 n HIS 691 Ca 0.17 -0.42 -0.16 0.00 -0.26 0.00 0.00 57.72 57.04 1p81 n HIS 691 Cb 0.25 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 1p81 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p81 n LEU 692 N 0.28 -1.53 -4.85 2.41 4.77 -0.79 -4.89 117.00 112.41 1p81 n LEU 692 Ca 0.15 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 1p81 n LEU 692 Cb 0.76 -2.35 -0.06 0.00 -2.33 0.00 0.00 43.42 39.44 1p81 n LEU 692 CO 0.18 -0.41 0.23 -0.54 -1.33 0.00 0.00 177.39 175.52 1p81 s LYS 693 N -4.27 3.94 0.38 3.23 1.02 -0.76 0.25 119.74 123.53 1p81 s LYS 693 Ca 0.00 0.45 -0.28 0.00 0.02 0.00 0.00 55.97 56.16 1p81 s LYS 693 Cb 0.00 -2.87 -0.10 0.00 -0.52 0.00 0.00 37.83 34.34 1p81 s LYS 693 CO 0.00 0.44 1.40 -2.14 -0.92 0.00 0.00 175.35 174.14 1p81 s PRO 694 N -2.14 4.10 -0.02 -1.68 0.02 -1.26 -4.61 135.00 129.42 1p81 s PRO 694 Ca 0.40 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.83 1p81 s PRO 694 Cb -0.14 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1p81 s PRO 694 CO 0.19 -0.47 -0.07 0.42 -0.33 0.00 0.00 177.00 176.75 1p81 s ILE 695 N -1.16 0.61 -0.08 2.83 1.01 -1.19 -2.02 121.20 121.20 1p81 s ILE 695 Ca 0.53 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1p81 s ILE 695 Cb -0.43 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1p81 s ILE 695 CO 0.57 0.20 -0.14 0.00 0.00 0.00 0.00 174.94 175.57 1p81 s ALA 696 N 0.16 1.50 -0.15 9.38 0.00 0.31 -0.69 121.76 132.27 1p81 s ALA 696 Ca -0.02 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1p81 s ALA 696 Cb -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1p81 s ALA 696 CO 0.00 0.05 -0.19 -0.51 0.00 0.00 0.00 175.76 175.11 1p81 s LEU 697 N 0.77 1.98 -0.10 0.00 1.43 0.60 -0.81 118.68 122.55 1p81 s LEU 697 Ca -0.12 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1p81 s LEU 697 Cb -0.16 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1p81 s LEU 697 CO 0.02 0.02 0.05 0.00 0.23 0.00 0.00 176.35 176.67 1p81 s ALA 698 N 1.14 3.48 0.00 4.21 0.00 -0.17 -2.83 121.76 127.59 1p81 s ALA 698 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1p81 s ALA 698 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1p81 s ALA 698 CO -0.08 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1p81 n GLY 699 N 2.20 3.14 0.03 0.00 0.00 -0.15 -0.87 105.19 109.54 1p81 n GLY 699 Ca -0.19 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.84 1p81 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 700 N 3.23 0.12 0.18 1.61 8.00 -1.26 -1.82 116.55 126.61 1p81 n ASP 700 Ca 0.00 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.18 1p81 n ASP 700 Cb 0.00 -0.56 0.63 0.00 -0.02 0.00 0.00 41.12 41.16 1p81 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p81 h ALA 701 N 2.19 1.00 0.00 2.24 0.00 -1.27 -1.76 119.26 121.65 1p81 h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p81 h ALA 701 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1p81 h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p81 n ARG 702 N -2.45 0.08 0.26 0.00 1.74 -0.76 -1.11 116.66 114.42 1p81 n ARG 702 Ca 0.00 0.44 0.18 0.00 -0.77 0.00 0.00 57.85 57.70 1p81 n ARG 702 Cb 0.16 -1.69 0.86 0.00 -1.02 0.00 0.00 32.46 30.76 1p81 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p81 h LYS 703 N 0.00 0.00 0.00 5.56 1.57 -1.57 -0.43 116.57 121.70 1p81 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p81 h LYS 703 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1p81 h LYS 703 CO 0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 1p81 n PHE 704 N -2.85 0.06 -0.22 -1.35 3.01 -0.27 -3.58 117.46 112.27 1p81 n PHE 704 Ca -0.01 0.02 0.17 0.00 1.01 0.00 0.00 57.45 58.64 1p81 n PHE 704 Cb 0.16 -0.53 0.49 0.00 -0.01 0.00 0.00 39.48 39.59 1p81 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p81 h LYS 705 N 0.00 0.44 0.00 -1.08 1.57 -1.27 -0.27 116.57 115.97 1p81 h LYS 705 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1p81 h LYS 705 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1p81 h LYS 705 CO 0.00 0.29 -0.41 0.00 -0.57 0.00 0.00 179.45 178.77 1p81 h ALA 706 N 1.62 0.99 -0.71 3.86 0.00 -1.78 0.23 119.26 123.48 1p81 h ALA 706 Ca 0.43 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1p81 h ALA 706 Cb 0.98 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1p81 h ALA 706 CO -0.16 0.51 0.29 1.15 0.00 0.00 0.00 179.25 181.03 1p81 h THR 707 N 0.00 1.24 -0.55 0.00 2.02 -1.27 -3.07 112.91 111.28 1p81 h THR 707 Ca -0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1p81 h THR 707 Cb 0.92 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1p81 h THR 707 CO 0.05 0.31 0.00 2.30 0.37 0.00 0.00 175.52 178.55 1p81 n ILE 708 N -4.30 1.33 -3.50 3.11 -5.35 -1.07 -4.91 119.36 104.67 1p81 n ILE 708 Ca 0.06 -1.13 -0.24 0.00 -0.27 0.00 0.00 62.75 61.18 1p81 n ILE 708 Cb 0.18 0.34 0.05 0.00 -1.74 0.00 0.00 39.64 38.47 1p81 n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p81 n LYS 709 N 0.98 -1.94 -3.79 6.28 4.76 -0.20 -4.98 118.16 119.26 1p81 n LYS 709 Ca 0.21 0.64 -0.35 0.00 -2.87 0.00 0.00 58.31 55.93 1p81 n LYS 709 Cb 0.66 -4.92 -0.08 0.00 -1.84 0.00 0.00 35.03 28.85 1p81 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p81 s ILE 710 N -3.45 5.38 0.97 -0.18 -1.09 0.64 -5.00 121.20 118.47 1p81 s ILE 710 Ca 0.43 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.90 1p81 s ILE 710 Cb -0.11 -3.43 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 1p81 s ILE 710 CO 0.81 0.48 0.39 0.00 -1.23 0.00 0.00 174.94 175.39 1p81 n ALA 711 N 3.16 -2.72 -0.19 9.38 0.00 -1.26 -4.71 120.51 124.16 1p81 n ALA 711 Ca -0.17 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 1p81 n ALA 711 Cb 0.53 -1.78 0.05 0.00 0.00 0.00 0.00 19.45 18.25 1p81 n ALA 711 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p81 h ASP 712 N -1.63 1.00 0.70 0.00 3.45 -2.00 -2.28 116.42 115.66 1p81 h ASP 712 Ca -0.44 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 56.73 1p81 h ASP 712 Cb 1.29 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1p81 h ASP 712 CO 0.35 1.05 -0.07 -0.61 -1.57 0.00 0.00 179.24 178.39 1p81 h GLN 713 N 0.94 0.00 0.00 3.56 4.15 -2.05 -3.49 115.11 118.22 1p81 h GLN 713 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1p81 h GLN 713 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1p81 h GLN 713 CO 0.03 0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.41 1p81 n GLY 714 N -0.27 -3.58 3.46 2.39 0.00 -0.86 -5.08 105.19 101.25 1p81 n GLY 714 Ca -0.01 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 1p81 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p81 s GLU 715 N -0.79 0.87 -0.04 1.61 -1.05 -1.26 -4.59 118.70 113.45 1p81 s GLU 715 Ca 0.00 0.36 -0.33 0.00 -0.15 0.00 0.00 54.97 54.85 1p81 s GLU 715 Cb 0.00 0.41 -0.11 0.00 -0.44 0.00 0.00 34.13 33.99 1p81 s GLU 715 CO 0.00 -0.22 1.87 0.39 0.95 0.00 0.00 175.26 178.25 1p81 n GLU 716 N 1.57 2.33 0.00 -4.83 1.02 -1.26 -2.25 120.64 117.23 1p81 n GLU 716 Ca -0.18 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1p81 n GLU 716 Cb 0.56 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1p81 n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p81 n GLY 717 N 4.35 1.84 3.22 0.62 0.00 -1.26 -4.88 105.19 109.08 1p81 n GLY 717 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1p81 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 718 N -2.05 2.88 -0.14 -0.61 -1.09 -0.95 -3.14 121.20 116.09 1p81 s ILE 718 Ca 0.00 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 57.44 1p81 s ILE 718 Cb 0.00 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1p81 s ILE 718 CO 0.00 0.35 0.39 -0.69 -1.23 0.00 0.00 174.94 173.77 1p81 s VAL 719 N 1.37 5.24 -0.10 2.92 1.01 0.13 -4.61 120.40 126.36 1p81 s VAL 719 Ca 0.03 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 1p81 s VAL 719 Cb -0.15 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1p81 s VAL 719 CO -0.06 0.36 0.27 -1.83 0.00 0.00 0.00 175.10 173.84 1p81 s GLU 720 N 0.53 0.29 0.27 2.72 -1.05 -1.26 -0.29 118.70 119.92 1p81 s GLU 720 Ca 0.22 0.42 -0.21 0.00 -0.15 0.00 0.00 54.97 55.25 1p81 s GLU 720 Cb -0.14 0.09 0.05 0.00 -0.44 0.00 0.00 34.13 33.69 1p81 s GLU 720 CO 0.07 -0.07 0.83 0.00 0.95 0.00 0.00 175.26 177.05 1p81 s ALA 721 N 0.42 -1.23 0.36 -0.84 0.00 -1.13 -5.01 121.76 114.33 1p81 s ALA 721 Ca -0.02 -0.34 0.12 0.00 0.00 0.00 0.00 51.96 51.71 1p81 s ALA 721 Cb -0.04 0.74 0.69 0.00 0.00 0.00 0.00 23.12 24.51 1p81 s ALA 721 CO -0.02 -1.03 1.82 -0.44 0.00 0.00 0.00 175.76 176.09 1p81 h ASP 722 N 2.00 0.05 -5.44 0.00 3.32 -1.91 -0.38 116.42 114.05 1p81 h ASP 722 Ca -0.25 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.61 1p81 h ASP 722 Cb 1.24 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 1p81 h ASP 722 CO 0.30 0.41 -0.34 -0.94 -1.72 0.00 0.00 179.24 176.95 1p81 s SER 723 N -6.92 0.21 -0.02 6.45 1.04 -1.26 -2.47 113.70 110.73 1p81 s SER 723 Ca -0.03 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.20 1p81 s SER 723 Cb 0.14 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.87 1p81 s SER 723 CO 0.73 -1.04 0.78 0.00 0.98 0.00 0.00 173.24 174.70 1p81 n ALA 724 N -0.37 2.61 -2.23 5.32 0.00 -1.26 -4.81 120.51 119.77 1p81 n ALA 724 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 1p81 n ALA 724 Cb 0.63 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.13 1p81 n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p81 n ASP 725 N -0.02 0.44 0.00 0.00 5.68 -1.26 -4.29 116.55 117.10 1p81 n ASP 725 Ca 0.03 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 1p81 n ASP 725 Cb 0.27 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1p81 n ASP 725 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p81 n GLY 726 N 2.00 3.22 0.44 6.12 0.00 -1.26 -2.37 105.19 113.35 1p81 n GLY 726 Ca 0.06 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1p81 n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 727 N 3.06 1.31 -0.08 1.61 3.41 -1.26 -4.28 113.62 117.39 1p81 n SER 727 Ca 0.00 -1.76 -0.07 0.00 -0.26 0.00 0.00 58.87 56.78 1p81 n SER 727 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1p81 n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1p81 h PHE 728 N 1.62 0.15 -0.01 7.33 3.04 -1.72 -0.78 116.94 126.57 1p81 h PHE 728 Ca 0.00 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.78 1p81 h PHE 728 Cb 0.36 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1p81 h PHE 728 CO 0.11 0.05 -0.82 0.52 -2.02 0.00 0.00 178.31 176.16 1p81 h MET 729 N 0.21 0.18 -0.55 1.11 2.86 -1.75 -2.40 114.93 114.59 1p81 h MET 729 Ca 0.14 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 1p81 h MET 729 Cb 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1p81 h MET 729 CO -0.17 0.90 -0.03 -0.44 1.06 0.00 0.00 176.91 178.23 1p81 h ASP 730 N 0.11 0.95 -0.50 1.22 3.32 -1.78 -0.40 116.42 119.33 1p81 h ASP 730 Ca -0.03 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.63 1p81 h ASP 730 Cb 1.42 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1p81 h ASP 730 CO 0.12 1.02 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.19 1p81 h GLU 731 N 0.88 1.00 -0.60 3.56 5.08 -1.07 -1.29 114.58 122.14 1p81 h GLU 731 Ca 0.16 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1p81 h GLU 731 Cb 0.56 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1p81 h GLU 731 CO 0.03 1.06 0.08 1.25 -1.00 0.00 0.00 179.01 180.44 1p81 h LEU 732 N 0.88 0.97 -1.10 1.33 7.12 -1.17 -2.63 115.31 120.70 1p81 h LEU 732 Ca 0.13 -0.27 -0.09 0.00 0.13 0.00 0.00 57.88 57.78 1p81 h LEU 732 Cb 0.71 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1p81 h LEU 732 CO 0.05 0.99 -0.42 -0.07 -0.13 0.00 0.00 178.44 178.86 1p81 h LEU 733 N 0.90 0.00 -0.52 2.25 3.38 -0.91 -1.27 115.31 119.15 1p81 h LEU 733 Ca 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1p81 h LEU 733 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1p81 h LEU 733 CO 0.01 0.42 -0.11 0.74 0.09 0.00 0.00 178.44 179.59 1p81 h THR 734 N 0.00 1.27 -0.55 0.22 2.02 -1.10 -2.23 112.91 112.54 1p81 h THR 734 Ca -0.00 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 1p81 h THR 734 Cb 0.81 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1p81 h THR 734 CO 0.06 0.44 0.02 -0.07 0.37 0.00 0.00 175.52 176.33 1p81 h LEU 735 N 0.85 0.93 -1.35 2.58 3.38 -1.03 -2.65 115.31 118.02 1p81 h LEU 735 Ca 0.13 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1p81 h LEU 735 Cb 0.68 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p81 h LEU 735 CO 0.05 1.00 0.13 0.24 0.09 0.00 0.00 178.44 179.95 1p81 h MET 736 N 0.83 0.57 0.00 1.13 2.86 -1.15 -1.79 114.93 117.39 1p81 h MET 736 Ca 0.16 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1p81 h MET 736 Cb 0.51 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1p81 h MET 736 CO 0.02 0.50 -0.29 0.00 1.06 0.00 0.00 176.91 178.20 1p81 h ALA 737 N 1.58 1.42 -0.18 6.32 0.00 -1.11 -1.21 119.26 126.09 1p81 h ALA 737 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1p81 h ALA 737 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p81 h ALA 737 CO -0.01 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1p81 n ALA 738 N -2.44 2.51 0.00 0.00 0.00 -0.70 -4.18 120.51 115.70 1p81 n ALA 738 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1p81 n ALA 738 Cb 0.35 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1p81 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p81 n HIS 739 N 0.34 0.00 -4.17 0.00 -0.00 -0.46 -4.80 115.22 106.13 1p81 n HIS 739 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.77 1p81 n HIS 739 Cb 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.22 1p81 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p81 s ARG 740 N 0.00 0.89 -1.16 1.57 1.81 -1.26 -4.74 118.95 116.07 1p81 s ARG 740 Ca 0.00 -1.40 -0.09 0.00 -1.72 0.00 0.00 55.73 52.52 1p81 s ARG 740 Cb 0.00 -0.02 0.24 0.00 -0.45 0.00 0.00 34.95 34.72 1p81 s ARG 740 CO 0.00 -0.13 1.35 0.28 -0.68 0.00 0.00 175.30 176.11 1p81 n VAL 741 N -0.08 4.60 -0.12 3.52 0.31 0.14 -4.88 118.33 121.82 1p81 n VAL 741 Ca -0.09 -5.20 0.18 0.00 -0.01 0.00 0.00 64.34 59.21 1p81 n VAL 741 Cb 0.62 -2.44 0.58 0.00 -0.91 0.00 0.00 33.84 31.68 1p81 n VAL 741 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1p81 h TRP 742 N 6.48 0.31 0.00 3.52 -0.00 -1.94 -1.47 115.95 122.85 1p81 h TRP 742 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.14 1p81 h TRP 742 Cb 0.80 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.86 1p81 h TRP 742 CO 0.94 0.12 0.00 0.66 -0.00 0.00 0.00 178.44 180.16 1p81 h SER 743 N 0.26 0.00 1.04 -3.49 4.64 -1.95 -2.15 113.55 111.90 1p81 h SER 743 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1p81 h SER 743 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1p81 h SER 743 CO -0.08 0.00 -0.11 -1.14 -0.87 0.00 0.00 176.83 174.63 1p81 n ARG 744 N -2.48 0.08 -0.16 4.77 0.63 -0.55 -4.40 116.66 114.55 1p81 n ARG 744 Ca -0.01 0.06 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 1p81 n ARG 744 Cb 0.12 -1.59 0.03 0.00 0.45 0.00 0.00 32.46 31.47 1p81 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p81 h ILE 745 N 0.00 0.36 -0.93 5.15 2.04 -1.55 -0.03 117.51 122.54 1p81 h ILE 745 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1p81 h ILE 745 Cb 0.57 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1p81 h ILE 745 CO 0.00 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.11 1p81 h PRO 746 N -0.09 1.01 0.00 2.37 0.11 -1.84 -1.74 132.00 131.82 1p81 h PRO 746 Ca 0.24 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1p81 h PRO 746 Cb 0.46 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1p81 h PRO 746 CO -0.57 0.67 -0.27 0.87 -0.21 0.00 0.00 178.00 178.49 1p81 h LYS 747 N 1.04 0.00 0.00 1.05 6.56 -1.31 -3.13 116.57 120.79 1p81 h LYS 747 Ca 0.41 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.95 1p81 h LYS 747 Cb 0.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.89 1p81 h LYS 747 CO -0.17 0.27 -0.68 -0.84 -2.06 0.00 0.00 179.45 175.98 1p81 h ILE 748 N 0.00 0.27 -0.85 1.86 3.07 -0.42 -3.38 117.51 118.06 1p81 h ILE 748 Ca -0.00 -1.43 0.14 0.00 1.55 0.00 0.00 64.86 65.11 1p81 h ILE 748 Cb 0.77 1.93 -0.14 0.00 -0.27 0.00 0.00 36.82 39.11 1p81 h ILE 748 CO 0.03 0.15 -0.32 -0.67 -1.05 0.00 0.00 178.15 176.30 1p81 n ASP 749 N -2.95 -0.53 0.00 2.16 4.64 -1.00 -3.66 116.55 115.21 1p81 n ASP 749 Ca -0.00 1.48 0.00 0.00 -1.38 0.00 0.00 54.79 54.89 1p81 n ASP 749 Cb 0.63 -0.35 0.00 0.00 -1.04 0.00 0.00 41.12 40.36 1p81 n ASP 749 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 1p81 n LYS 750 N -5.27 0.00 -1.46 -0.67 -0.00 -1.26 -5.00 118.16 104.50 1p81 n LYS 750 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1p81 n LYS 750 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.38 1p81 n LYS 750 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1p81 n ILE 751 N 0.00 0.00 -2.79 0.58 0.00 -1.24 -4.79 119.36 111.12 1p81 n ILE 751 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 62.75 62.32 1p81 n ILE 751 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 39.64 38.97 1p81 n ILE 751 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1p81 s PRO 752 N 0.00 3.97 0.00 9.51 0.04 -1.26 -5.09 135.00 142.16 1p81 s PRO 752 Ca 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 61.00 58.85 1p81 s PRO 752 Cb 0.00 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1p81 s PRO 752 CO 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 177.00 175.07