#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m16 n SER 2 N 0.00 -2.47 -3.52 1.61 7.64 -1.26 -5.30 113.62 110.32 3m16 n SER 2 Ca 0.00 0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 3m16 n SER 2 Cb 0.00 -1.00 -0.14 0.00 -1.01 0.00 0.00 64.21 62.06 3m16 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m16 s ALA 3 N -2.26 0.11 0.00 -0.43 0.00 -1.26 -5.13 121.76 112.79 3m16 s ALA 3 Ca 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3m16 s ALA 3 Cb -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3m16 s ALA 3 CO 0.67 -1.37 0.00 0.00 0.00 0.00 0.00 175.76 175.06 3m16 n ALA 5 N 5.29 0.00 0.00 0.00 0.00 -1.26 -5.06 120.51 119.48 3m16 n ALA 5 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3m16 n ALA 5 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3m16 n ALA 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3m16 n LYS 6 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.46 118.16 112.44 3m16 n LYS 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3m16 n LYS 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3m16 n LYS 6 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3m16 n ASN 7 N 1.39 0.00 -0.22 3.14 0.23 -1.26 -4.91 115.26 113.62 3m16 n ASN 7 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.98 3m16 n ASN 7 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 3m16 n ASN 7 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3m16 h LYS 8 N 0.00 0.94 0.02 -3.83 1.57 -1.21 0.27 116.57 114.32 3m16 h LYS 8 Ca 0.00 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3m16 h LYS 8 Cb 0.00 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 3m16 h LYS 8 CO 0.00 0.79 -0.37 1.25 -0.57 0.00 0.00 179.45 180.56 3m16 h LEU 9 N 0.88 -1.10 -0.61 2.94 6.46 -1.80 0.21 115.31 122.29 3m16 h LEU 9 Ca 0.21 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 58.11 3m16 h LEU 9 Cb 0.21 0.43 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3m16 h LEU 9 CO -0.02 -0.43 0.40 -0.33 -0.62 0.00 0.00 178.44 177.45 3m16 h GLU 10 N -0.53 0.79 -0.24 1.25 4.39 -1.82 -1.68 114.58 116.74 3m16 h GLU 10 Ca 0.05 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3m16 h GLU 10 Cb 0.61 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3m16 h GLU 10 CO -0.28 0.52 0.02 0.00 -1.16 0.00 0.00 179.01 178.11 3m16 h ALA 11 N 1.23 0.23 -0.90 3.43 0.00 -0.03 -2.58 119.26 120.64 3m16 h ALA 11 Ca 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3m16 h ALA 11 Cb -0.08 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3m16 h ALA 11 CO -0.06 -0.40 0.51 1.25 0.00 0.00 0.00 179.25 180.55 3m16 h LEU 12 N 0.10 1.11 -1.38 0.00 5.85 -0.30 -2.03 115.31 118.66 3m16 h LEU 12 Ca 0.11 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3m16 h LEU 12 Cb 0.13 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3m16 h LEU 12 CO -0.17 0.88 0.29 0.11 -0.34 0.00 0.00 178.44 179.21 3m16 h LYS 13 N 1.26 0.00 -0.78 1.25 1.57 -0.88 -1.71 116.57 117.28 3m16 h LYS 13 Ca 0.32 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.93 3m16 h LYS 13 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 3m16 h LYS 13 CO -0.05 0.00 0.21 0.00 -0.57 0.00 0.00 179.45 179.04 3m16 n ALA 14 N -1.72 4.25 0.00 3.86 0.00 -0.76 -4.68 120.51 121.46 3m16 n ALA 14 Ca -0.01 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.46 3m16 n ALA 14 Cb 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3m16 n ALA 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3m16 n THR 16 N -0.01 0.00 -2.20 0.00 -1.04 -0.64 -5.13 114.28 105.26 3m16 n THR 16 Ca 0.34 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.93 3m16 n THR 16 Cb 1.24 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.72 3m16 n THR 16 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3m16 s THR 17 N 0.00 3.87 -0.05 12.58 2.01 -0.36 -4.93 115.64 128.76 3m16 s THR 17 Ca 0.00 1.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.85 3m16 s THR 17 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3m16 s THR 17 CO 0.00 -0.23 0.45 -0.69 -0.69 0.00 0.00 174.62 173.46 3m16 s VAL 18 N 4.42 5.08 -0.07 3.82 1.01 -1.26 -1.85 120.40 131.56 3m16 s VAL 18 Ca 0.66 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.59 3m16 s VAL 18 Cb -0.25 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3m16 s VAL 18 CO 0.25 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 3m16 s VAL 19 N -0.24 1.40 -0.12 2.92 1.01 0.65 -2.14 120.40 123.87 3m16 s VAL 19 Ca 0.25 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3m16 s VAL 19 Cb -0.16 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3m16 s VAL 19 CO 0.12 0.41 1.20 0.00 0.00 0.00 0.00 175.10 176.83 3m16 s ALA 20 N 0.45 3.58 -1.23 5.51 0.00 -1.16 0.02 121.76 128.93 3m16 s ALA 20 Ca -0.13 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 3m16 s ALA 20 Cb -0.15 -3.56 0.17 0.00 0.00 0.00 0.00 23.12 19.58 3m16 s ALA 20 CO 0.04 -0.96 1.55 -3.47 0.00 0.00 0.00 175.76 172.92 3m16 n ASP 21 N 5.92 5.21 -3.49 0.00 2.03 0.36 -1.62 116.55 124.96 3m16 n ASP 21 Ca 0.12 -3.02 -0.11 0.00 0.52 0.00 0.00 54.79 52.30 3m16 n ASP 21 Cb 0.46 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 3m16 n ASP 21 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3m16 s THR 22 N 1.15 0.00 -2.47 5.18 -1.32 -1.04 -4.41 115.64 112.74 3m16 s THR 22 Ca 0.42 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.15 3m16 s THR 22 Cb 0.00 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.23 3m16 s THR 22 CO 0.00 0.00 1.38 0.61 -2.21 0.00 0.00 174.62 174.40 3m16 n GLY 23 N 0.02 0.30 3.47 6.08 0.00 -1.26 -4.51 105.19 109.29 3m16 n GLY 23 Ca -0.13 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3m16 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m16 s ASP 24 N -2.19 5.39 0.30 1.61 2.15 -1.26 -4.80 116.67 117.87 3m16 s ASP 24 Ca 0.27 -0.23 0.06 0.00 0.43 0.00 0.00 52.55 53.08 3m16 s ASP 24 Cb 0.20 -1.98 0.72 0.00 -0.30 0.00 0.00 42.92 41.56 3m16 s ASP 24 CO 0.41 -0.07 1.78 0.16 -0.17 0.00 0.00 175.17 177.28 3m16 h ILE 25 N 5.53 0.73 -0.63 4.11 -0.00 -1.92 -2.03 117.51 123.30 3m16 h ILE 25 Ca -0.37 -0.27 0.13 0.00 -0.00 0.00 0.00 64.86 64.35 3m16 h ILE 25 Cb 1.17 -0.13 -0.10 0.00 -0.00 0.00 0.00 36.82 37.77 3m16 h ILE 25 CO 0.58 0.14 0.07 -0.33 -0.00 0.00 0.00 178.15 178.61 3m16 h GLU 26 N 0.79 0.18 -0.38 0.16 4.39 -1.99 0.91 114.58 118.64 3m16 h GLU 26 Ca 0.57 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.20 3m16 h GLU 26 Cb 0.86 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3m16 h GLU 26 CO -0.37 0.12 0.01 0.00 -1.16 0.00 0.00 179.01 177.61 3m16 h ALA 27 N 1.54 0.51 -0.45 3.43 0.00 -1.81 -2.05 119.26 120.43 3m16 h ALA 27 Ca 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3m16 h ALA 27 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3m16 h ALA 27 CO -0.48 0.28 0.27 0.82 0.00 0.00 0.00 179.25 180.13 3m16 h ILE 28 N 0.49 1.05 -0.30 0.00 5.03 -0.49 -1.73 117.51 121.56 3m16 h ILE 28 Ca 0.11 -0.19 0.02 0.00 -0.12 0.00 0.00 64.86 64.68 3m16 h ILE 28 Cb 0.46 0.46 -0.02 0.00 -3.03 0.00 0.00 36.82 34.69 3m16 h ILE 28 CO 0.02 0.10 0.15 0.11 -0.68 0.00 0.00 178.15 177.85 3m16 h LYS 29 N 0.54 0.31 -0.42 2.37 1.57 0.77 0.14 116.57 121.85 3m16 h LYS 29 Ca 0.18 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3m16 h LYS 29 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3m16 h LYS 29 CO -0.08 0.20 0.07 0.37 -0.57 0.00 0.00 179.45 179.44 3m16 h GLN 30 N 0.32 0.64 0.00 3.15 4.15 -1.07 -3.31 115.11 118.99 3m16 h GLN 30 Ca 0.12 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3m16 h GLN 30 Cb 0.03 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3m16 h GLN 30 CO -0.08 0.62 -1.06 1.19 -1.93 0.00 0.00 178.83 177.57 3m16 n PHE 31 N -4.29 0.00 -3.77 3.99 3.72 -0.67 -5.04 117.46 111.40 3m16 n PHE 31 Ca 0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 3m16 n PHE 31 Cb 0.23 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 3m16 n PHE 31 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3m16 n LYS 32 N -1.60 -0.97 -1.84 -1.08 5.02 0.46 -4.98 118.16 113.17 3m16 n LYS 32 Ca 0.00 0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 56.42 3m16 n LYS 32 Cb 0.27 -3.61 0.08 0.00 -0.02 0.00 0.00 35.03 31.75 3m16 n LYS 32 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3m16 s PRO 33 N -6.17 2.20 -0.18 1.97 0.04 -1.26 -5.04 135.00 126.56 3m16 s PRO 33 Ca 0.43 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.70 3m16 s PRO 33 Cb -0.18 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.18 3m16 s PRO 33 CO 0.89 -1.46 0.14 1.55 0.04 0.00 0.00 177.00 178.16 3m16 n VAL 34 N -3.26 1.67 -3.79 -0.36 3.14 -0.91 -4.54 118.33 110.27 3m16 n VAL 34 Ca 0.07 -0.58 -0.24 0.00 -2.96 0.00 0.00 64.34 60.63 3m16 n VAL 34 Cb 0.59 -1.66 -0.02 0.00 -1.06 0.00 0.00 33.84 31.69 3m16 n VAL 34 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3m16 s ASP 35 N -6.88 4.73 0.13 6.55 1.01 -1.24 -0.66 116.67 120.31 3m16 s ASP 35 Ca -0.27 -1.09 -0.03 0.00 0.71 0.00 0.00 52.55 51.87 3m16 s ASP 35 Cb 0.08 0.07 -0.03 0.00 1.01 0.00 0.00 42.92 44.04 3m16 s ASP 35 CO 0.69 -0.94 0.11 0.00 0.21 0.00 0.00 175.17 175.24 3m16 s ALA 36 N -2.67 0.60 0.04 5.23 0.00 -0.70 -3.01 121.76 121.24 3m16 s ALA 36 Ca 0.40 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3m16 s ALA 36 Cb -0.02 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3m16 s ALA 36 CO 0.24 -0.52 -0.11 0.95 0.00 0.00 0.00 175.76 176.32 3m16 s THR 37 N -4.01 0.82 0.36 0.00 -4.23 -0.64 -2.28 115.64 105.66 3m16 s THR 37 Ca 0.21 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 3m16 s THR 37 Cb 0.06 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 3m16 s THR 37 CO 0.00 -0.14 0.11 0.42 -0.54 0.00 0.00 174.62 174.47 3m16 s THR 38 N -0.97 0.74 0.28 3.99 -4.23 -0.75 -2.49 115.64 112.21 3m16 s THR 38 Ca -0.03 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.28 3m16 s THR 38 Cb -0.08 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3m16 s THR 38 CO 0.01 0.00 0.72 0.54 -0.54 0.00 0.00 174.62 175.35 3m16 s ASN 39 N -3.52 -0.25 0.34 3.99 2.20 -1.26 -4.54 114.94 111.90 3m16 s ASN 39 Ca 0.30 -0.63 0.14 0.00 -0.94 0.00 0.00 52.86 51.73 3m16 s ASN 39 Cb 0.05 0.73 1.07 0.00 -2.00 0.00 0.00 41.25 41.10 3m16 s ASN 39 CO 0.15 -1.35 1.67 -0.65 -2.94 0.00 0.00 177.10 173.97 3m16 h PRO 40 N 2.00 0.33 -0.21 3.55 0.11 -1.89 0.51 132.00 136.40 3m16 h PRO 40 Ca -0.19 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 3m16 h PRO 40 Cb 1.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m16 h PRO 40 CO 0.24 0.22 -0.18 0.77 -0.21 0.00 0.00 178.00 178.84 3m16 h SER 41 N 0.34 0.53 0.55 -2.05 0.02 -1.92 -1.21 113.55 109.81 3m16 h SER 41 Ca 0.73 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3m16 h SER 41 Cb 1.63 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3m16 h SER 41 CO -0.60 0.88 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.66 3m16 h LEU 42 N 0.19 0.00 0.01 5.07 3.38 -0.95 0.20 115.31 123.21 3m16 h LEU 42 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3m16 h LEU 42 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3m16 h LEU 42 CO 0.05 0.24 -0.47 0.40 0.09 0.00 0.00 178.44 178.75 3m16 h ILE 43 N 0.00 1.49 -0.43 1.22 2.04 0.07 -0.20 117.51 121.70 3m16 h ILE 43 Ca -0.00 -2.09 0.09 0.00 1.00 0.00 0.00 64.86 63.86 3m16 h ILE 43 Cb 0.58 2.75 -0.08 0.00 -0.74 0.00 0.00 36.82 39.33 3m16 h ILE 43 CO 0.03 0.59 -0.10 0.25 0.00 0.00 0.00 178.15 178.93 3m16 h LEU 44 N -0.31 -0.38 0.20 1.44 5.85 -0.94 0.12 115.31 121.29 3m16 h LEU 44 Ca -0.06 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3m16 h LEU 44 Cb 1.22 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 3m16 h LEU 44 CO 0.09 -0.13 -0.14 0.50 -0.34 0.00 0.00 178.44 178.42 3m16 h LYS 45 N 0.01 -0.32 -0.81 1.25 3.64 -0.54 -2.82 116.57 116.98 3m16 h LYS 45 Ca 0.21 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3m16 h LYS 45 Cb 0.32 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3m16 h LYS 45 CO -0.44 -0.22 0.54 0.00 -2.27 0.00 0.00 179.45 177.07 3m16 h ALA 46 N 0.45 1.43 -0.18 5.00 0.00 -0.72 -1.13 119.26 124.11 3m16 h ALA 46 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3m16 h ALA 46 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3m16 h ALA 46 CO 0.00 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.98 3m16 h ALA 47 N 1.50 1.81 0.00 0.00 0.00 -0.50 0.90 119.26 122.98 3m16 h ALA 47 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3m16 h ALA 47 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3m16 h ALA 47 CO -0.07 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.52 3m16 n LYS 48 N -3.82 0.30 -2.39 0.00 5.02 -0.43 -4.74 118.16 112.10 3m16 n LYS 48 Ca 0.02 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3m16 n LYS 48 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3m16 n LYS 48 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3m16 s LEU 49 N -2.65 4.41 0.14 -0.35 1.43 0.31 -4.95 118.68 117.01 3m16 s LEU 49 Ca 0.22 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.25 3m16 s LEU 49 Cb 0.17 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3m16 s LEU 49 CO 0.41 -0.43 1.67 0.00 0.23 0.00 0.00 176.35 178.24 3m16 h ALA 50 N 6.06 0.04 0.00 4.21 0.00 -1.88 -1.93 119.26 125.76 3m16 h ALA 50 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3m16 h ALA 50 Cb 1.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3m16 h ALA 50 CO 0.78 -0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.57 3m16 n ASN 51 N -5.29 0.00 -0.00 0.00 4.13 -1.26 -1.52 115.26 111.32 3m16 n ASN 51 Ca -0.01 0.45 0.09 0.00 1.68 0.00 0.00 54.58 56.78 3m16 n ASN 51 Cb 0.20 -0.47 -0.11 0.00 -1.54 0.00 0.00 39.78 37.87 3m16 n ASN 51 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3m16 n TYR 52 N -1.47 0.00 -0.33 3.10 4.02 -0.75 -4.46 117.16 117.27 3m16 n TYR 52 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 3m16 n TYR 52 Cb 0.11 -0.01 0.28 0.00 -0.02 0.00 0.00 39.34 39.71 3m16 n TYR 52 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3m16 h GLN 53 N 0.00 0.87 -0.98 -0.72 1.08 -0.98 0.22 115.11 114.62 3m16 h GLN 53 Ca 0.00 -0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.32 3m16 h GLN 53 Cb 0.46 -0.20 -0.09 0.00 -0.05 0.00 0.00 27.48 27.60 3m16 h GLN 53 CO 0.00 0.58 0.61 1.12 -0.95 0.00 0.00 178.83 180.19 3m16 h HIS 54 N 0.90 0.95 -0.03 2.96 2.07 -1.78 -1.52 115.15 118.70 3m16 h HIS 54 Ca 0.48 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.96 3m16 h HIS 54 Cb 0.55 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 3m16 h HIS 54 CO -0.00 0.26 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.77 3m16 h LEU 55 N 0.73 0.05 -0.28 6.12 3.38 -0.85 -1.79 115.31 122.67 3m16 h LEU 55 Ca 0.53 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 3m16 h LEU 55 Cb 0.87 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3m16 h LEU 55 CO -0.30 0.33 0.03 0.40 0.09 0.00 0.00 178.44 178.98 3m16 h ILE 56 N 0.04 1.24 0.64 1.22 2.04 -1.22 -2.73 117.51 118.74 3m16 h ILE 56 Ca 0.01 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3m16 h ILE 56 Cb 0.52 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3m16 h ILE 56 CO 0.04 0.27 -0.33 -0.33 0.00 0.00 0.00 178.15 177.80 3m16 h GLU 57 N 0.27 -0.86 0.00 2.37 4.39 -1.36 -1.37 114.58 118.03 3m16 h GLU 57 Ca 0.08 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3m16 h GLU 57 Cb 0.37 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3m16 h GLU 57 CO 0.01 -0.57 0.69 0.93 -1.16 0.00 0.00 179.01 178.91 3m16 h GLU 58 N -0.89 0.00 0.07 2.33 5.08 -1.40 1.62 114.58 121.39 3m16 h GLU 58 Ca -0.09 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.03 3m16 h GLU 58 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3m16 h GLU 58 CO 0.12 0.00 -1.28 0.00 -1.00 0.00 0.00 179.01 176.85 3m16 h ALA 59 N 0.46 0.22 0.07 3.43 0.00 -1.08 -2.82 119.26 119.54 3m16 h ALA 59 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 3m16 h ALA 59 Cb 1.38 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3m16 h ALA 59 CO 0.00 0.75 -0.03 0.82 0.00 0.00 0.00 179.25 180.79 3m16 h ILE 60 N -0.57 1.08 0.00 0.00 2.04 0.32 0.11 117.51 120.49 3m16 h ILE 60 Ca -0.30 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3m16 h ILE 60 Cb 1.56 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3m16 h ILE 60 CO -0.04 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.72 3m16 n ASP 61 N -5.02 0.00 -0.24 1.72 8.00 0.14 0.30 116.55 121.45 3m16 n ASP 61 Ca -0.08 0.33 0.07 0.00 0.71 0.00 0.00 54.79 55.82 3m16 n ASP 61 Cb 0.16 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.41 3m16 n ASP 61 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3m16 n TRP 62 N -0.67 0.33 -0.18 1.24 -0.00 -1.06 0.13 117.44 117.23 3m16 n TRP 62 Ca 0.00 0.81 -0.05 0.00 -0.00 0.00 0.00 57.50 58.26 3m16 n TRP 62 Cb 0.00 -0.94 0.04 0.00 -0.00 0.00 0.00 31.31 30.41 3m16 n TRP 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3m16 h ALA 63 N 1.34 0.69 0.16 5.87 0.00 0.56 -1.14 119.26 126.74 3m16 h ALA 63 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3m16 h ALA 63 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3m16 h ALA 63 CO -0.66 0.03 -0.08 -0.07 0.00 0.00 0.00 179.25 178.47 3m16 h LEU 64 N 0.63 -0.18 -1.20 0.00 4.07 0.58 -0.64 115.31 118.57 3m16 h LEU 64 Ca 0.22 0.01 0.24 0.00 0.08 0.00 0.00 57.88 58.42 3m16 h LEU 64 Cb 0.03 0.05 -0.10 0.00 1.08 0.00 0.00 40.66 41.71 3m16 h LEU 64 CO -0.10 0.17 0.63 1.56 -1.08 0.00 0.00 178.44 179.62 3m16 h GLN 65 N -0.81 0.51 -0.04 1.13 4.20 -1.01 0.46 115.11 119.55 3m16 h GLN 65 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3m16 h GLN 65 Cb 0.16 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3m16 h GLN 65 CO 0.04 0.34 -0.02 0.82 -0.67 0.00 0.00 178.83 179.33 3m16 h ILE 66 N 0.52 1.34 -2.50 2.54 2.04 -1.33 -3.36 117.51 116.75 3m16 h ILE 66 Ca 0.60 -1.04 -0.79 0.00 1.00 0.00 0.00 64.86 64.64 3m16 h ILE 66 Cb 1.28 1.95 -0.23 0.00 -0.74 0.00 0.00 36.82 39.08 3m16 h ILE 66 CO -0.36 0.28 1.15 0.29 0.00 0.00 0.00 178.15 179.51 3m16 n LYS 67 N -4.82 3.96 -0.23 2.37 4.76 0.15 -4.78 118.16 119.58 3m16 n LYS 67 Ca -0.08 -4.17 0.03 0.00 -2.87 0.00 0.00 58.31 51.23 3m16 n LYS 67 Cb 0.24 -2.69 0.14 0.00 -1.84 0.00 0.00 35.03 30.88 3m16 n LYS 67 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3m16 h GLY 68 N 6.80 0.85 -5.33 0.72 0.00 -1.42 -3.41 103.07 101.28 3m16 h GLY 68 Ca 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3m16 h GLY 68 CO 1.36 -0.19 -0.15 0.54 0.00 0.00 0.00 176.54 178.10 3m16 s ASN 69 N -5.24 -0.69 -0.23 0.19 4.22 -1.26 -5.04 114.94 106.89 3m16 s ASN 69 Ca -0.13 1.16 -0.05 0.00 -2.14 0.00 0.00 52.86 51.69 3m16 s ASN 69 Cb 0.20 1.05 -0.02 0.00 1.28 0.00 0.00 41.25 43.76 3m16 s ASN 69 CO 0.75 -0.21 0.01 -0.75 -2.04 0.00 0.00 177.10 174.85 3m16 s LYS 71 N 1.33 3.52 -0.34 3.55 2.20 -1.26 -5.18 119.74 123.56 3m16 s LYS 71 Ca -0.08 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 3m16 s LYS 71 Cb -0.06 -3.14 0.09 0.00 -1.51 0.00 0.00 37.83 33.20 3m16 s LYS 71 CO -0.13 -0.17 0.05 -0.80 -0.36 0.00 0.00 175.35 173.94 3m16 s ASN 72 N 1.47 4.87 0.32 1.43 0.02 -1.26 -5.03 114.94 116.77 3m16 s ASN 72 Ca 0.05 -1.81 0.10 0.00 -1.02 0.00 0.00 52.86 50.19 3m16 s ASN 72 Cb -0.15 -1.69 0.93 0.00 0.02 0.00 0.00 41.25 40.36 3m16 s ASN 72 CO 0.00 -0.37 1.69 -1.28 0.02 0.00 0.00 177.10 177.17 3m16 h SER 73 N 7.84 0.51 0.04 -1.22 0.87 -2.05 0.89 113.55 120.43 3m16 h SER 73 Ca -0.13 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3m16 h SER 73 Cb 1.04 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3m16 h SER 73 CO 0.56 -0.02 -0.02 1.56 -0.53 0.00 0.00 176.83 178.38 3m16 h GLN 74 N 0.43 -0.05 -1.11 2.24 1.08 -2.00 -3.28 115.11 112.42 3m16 h GLN 74 Ca 0.66 0.00 0.36 0.00 -1.45 0.00 0.00 58.65 58.22 3m16 h GLN 74 Cb 1.36 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.67 3m16 h GLN 74 CO -0.55 -0.04 0.67 1.15 -0.95 0.00 0.00 178.83 179.12 3m16 h THR 75 N -0.41 0.26 0.00 -0.54 2.02 -1.69 0.64 112.91 113.19 3m16 h THR 75 Ca -0.01 -0.08 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 3m16 h THR 75 Cb 0.04 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 3m16 h THR 75 CO 0.01 0.04 -1.14 0.00 0.37 0.00 0.00 175.52 174.81 3m16 h THR 76 N 0.24 1.50 -0.59 3.16 1.03 0.56 -2.81 112.91 115.99 3m16 h THR 76 Ca 0.75 -3.23 -0.00 0.00 -0.01 0.00 0.00 66.41 63.92 3m16 h THR 76 Cb 1.98 2.74 -0.03 0.00 -1.07 0.00 0.00 68.15 71.77 3m16 h THR 76 CO -0.51 0.85 0.35 0.25 -0.01 0.00 0.00 175.52 176.45 3m16 h LEU 77 N 0.00 0.71 -1.17 0.00 5.85 -0.96 -2.43 115.31 117.31 3m16 h LEU 77 Ca -0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3m16 h LEU 77 Cb 1.81 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.66 3m16 h LEU 77 CO 0.12 0.57 0.00 -0.33 -0.34 0.00 0.00 178.44 178.46 3m16 h GLU 78 N 0.80 0.00 0.07 1.25 5.08 -1.20 -0.28 114.58 120.29 3m16 h GLU 78 Ca 0.21 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 3m16 h GLU 78 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3m16 h GLU 78 CO -0.04 0.00 -1.37 -0.91 -1.00 0.00 0.00 179.01 175.69 3m16 h ASN 79 N 0.00 0.23 -0.31 1.42 2.35 -1.23 -3.10 115.58 114.93 3m16 h ASN 79 Ca 0.00 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 3m16 h ASN 79 Cb 0.54 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3m16 h ASN 79 CO 0.00 1.25 -0.33 1.62 -1.65 0.00 0.00 177.43 178.32 3m16 h VAL 80 N 0.04 1.28 -0.02 2.81 3.04 -0.91 -2.45 116.25 120.03 3m16 h VAL 80 Ca -0.17 -1.49 0.01 0.00 -1.01 0.00 0.00 66.70 64.04 3m16 h VAL 80 Cb 1.94 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 3m16 h VAL 80 CO 0.15 0.49 -0.11 1.23 -1.01 0.00 0.00 177.57 178.32 3m16 h GLY 81 N 0.89 -1.44 -0.24 3.17 0.00 -1.13 -0.66 103.07 103.66 3m16 h GLY 81 Ca 0.07 0.66 0.10 0.00 0.00 0.00 0.00 47.33 48.16 3m16 h GLY 81 CO 0.08 -0.51 -0.26 -0.55 0.00 0.00 0.00 176.54 175.30 3m16 h ASP 82 N -0.12 -0.90 -0.89 0.19 3.32 -1.61 -0.66 116.42 115.75 3m16 h ASP 82 Ca 0.01 0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.37 3m16 h ASP 82 Cb 0.14 0.47 -0.08 0.00 0.22 0.00 0.00 39.33 40.08 3m16 h ASP 82 CO -0.09 -0.27 0.51 0.50 -1.72 0.00 0.00 179.24 178.17 3m16 h LYS 83 N -0.14 0.77 -0.29 3.56 1.63 -1.17 -0.81 116.57 120.12 3m16 h LYS 83 Ca 0.23 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3m16 h LYS 83 Cb 0.51 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3m16 h LYS 83 CO -0.60 0.51 0.16 1.25 -3.45 0.00 0.00 179.45 177.32 3m16 h LEU 84 N 0.79 0.37 -0.47 5.20 5.85 0.44 0.47 115.31 127.97 3m16 h LEU 84 Ca 0.45 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.16 3m16 h LEU 84 Cb 0.51 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3m16 h LEU 84 CO -0.29 0.36 0.09 0.00 -0.34 0.00 0.00 178.44 178.26 3m16 h ALA 85 N 1.03 0.51 -0.43 1.25 0.00 -0.95 0.50 119.26 121.16 3m16 h ALA 85 Ca 0.10 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3m16 h ALA 85 Cb 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m16 h ALA 85 CO -0.02 -0.31 -0.06 0.28 0.00 0.00 0.00 179.25 179.14 3m16 h VAL 86 N 0.23 1.27 -0.43 0.00 2.07 -0.10 0.65 116.25 119.94 3m16 h VAL 86 Ca 0.23 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3m16 h VAL 86 Cb 0.30 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3m16 h VAL 86 CO -0.30 0.39 0.10 0.78 0.02 0.00 0.00 177.57 178.56 3m16 h ASN 87 N 0.63 0.05 -0.61 0.57 2.35 0.26 0.35 115.58 119.18 3m16 h ASN 87 Ca 0.12 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3m16 h ASN 87 Cb 0.57 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3m16 h ASN 87 CO 0.03 0.06 0.15 0.40 -1.65 0.00 0.00 177.43 176.43 3m16 h ILE 88 N 0.25 1.25 0.11 2.81 2.04 -0.22 -1.19 117.51 122.56 3m16 h ILE 88 Ca 0.21 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3m16 h ILE 88 Cb 0.24 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3m16 h ILE 88 CO -0.25 0.34 -0.15 1.23 0.00 0.00 0.00 178.15 179.32 3m16 h GLY 89 N 0.89 -0.28 -0.78 5.37 0.00 -0.41 -2.04 103.07 105.82 3m16 h GLY 89 Ca 0.19 0.17 0.23 0.00 0.00 0.00 0.00 47.33 47.93 3m16 h GLY 89 CO 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 176.54 176.39 3m16 h GLU 91 N 0.04 0.61 -0.29 0.00 4.39 -0.65 -2.94 114.58 115.74 3m16 h GLU 91 Ca 0.53 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 3m16 h GLU 91 Cb 1.03 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3m16 h GLU 91 CO -0.86 0.69 -0.29 -0.39 -1.16 0.00 0.00 179.01 177.01 3m16 h VAL 92 N 0.45 1.28 -0.93 3.13 -1.51 -0.53 -3.08 116.25 115.05 3m16 h VAL 92 Ca 0.11 -1.38 0.11 0.00 -1.23 0.00 0.00 66.70 64.31 3m16 h VAL 92 Cb 0.38 1.37 -0.07 0.00 -2.13 0.00 0.00 31.29 30.84 3m16 h VAL 92 CO 0.01 0.44 0.59 -0.07 -1.23 0.00 0.00 177.57 177.32 3m16 h LEU 93 N 0.51 0.82 -2.00 4.19 3.38 -0.66 -0.19 115.31 121.36 3m16 h LEU 93 Ca 0.07 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.19 3m16 h LEU 93 Cb 0.76 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3m16 h LEU 93 CO 0.06 0.47 0.43 0.71 0.09 0.00 0.00 178.44 180.19 3m16 h THR 94 N 0.90 0.42 -0.24 0.22 1.35 -1.44 -2.67 112.91 111.46 3m16 h THR 94 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 3m16 h THR 94 Cb 0.46 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3m16 h THR 94 CO -0.20 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.87 3m16 n SER 95 N -3.80 2.63 -4.06 5.36 7.64 -0.09 -4.98 113.62 116.30 3m16 n SER 95 Ca 0.07 -1.99 -0.21 0.00 1.01 0.00 0.00 58.87 57.75 3m16 n SER 95 Cb 0.61 -0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 63.50 3m16 n SER 95 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3m16 s ILE 96 N -1.00 0.96 -0.22 0.44 -5.25 -1.01 -4.88 121.20 110.25 3m16 s ILE 96 Ca 0.16 -0.50 0.29 0.00 -0.99 0.00 0.00 60.65 59.60 3m16 s ILE 96 Cb 0.08 -0.82 0.33 0.00 2.95 0.00 0.00 42.46 45.01 3m16 s ILE 96 CO 0.11 0.28 1.84 1.55 -1.79 0.00 0.00 174.94 176.92 3m16 h PRO 97 N 6.00 0.00 0.00 0.37 0.13 -1.80 -3.46 132.00 133.24 3m16 h PRO 97 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3m16 h PRO 97 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3m16 h PRO 97 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 3m16 n GLY 98 N 0.26 1.13 3.62 1.56 0.00 0.17 -5.05 105.19 106.88 3m16 n GLY 98 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3m16 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m16 s VAL 99 N 4.00 3.46 0.08 1.61 1.01 -1.24 -4.88 120.40 124.45 3m16 s VAL 99 Ca 0.00 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 60.51 3m16 s VAL 99 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3m16 s VAL 99 CO 0.00 -0.13 -0.21 -0.51 0.00 0.00 0.00 175.10 174.25 3m16 s ILE 100 N -1.76 2.58 -0.21 2.22 1.10 -0.39 -1.72 121.20 123.02 3m16 s ILE 100 Ca 0.27 -1.41 -0.01 0.00 -0.51 0.00 0.00 60.65 58.98 3m16 s ILE 100 Cb -0.09 -2.11 0.01 0.00 0.15 0.00 0.00 42.46 40.43 3m16 s ILE 100 CO 0.17 0.24 -0.11 -0.44 -2.11 0.00 0.00 174.94 172.69 3m16 s SER 101 N -1.68 3.87 -0.05 4.50 0.01 -0.97 0.47 113.70 119.84 3m16 s SER 101 Ca 0.15 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.84 3m16 s SER 101 Cb -0.10 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 3m16 s SER 101 CO 0.06 -0.04 -0.23 -0.89 0.41 0.00 0.00 173.24 172.55 3m16 s THR 102 N 1.36 1.88 -0.15 1.44 2.01 -0.36 -1.80 115.64 120.02 3m16 s THR 102 Ca 0.04 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 3m16 s THR 102 Cb -0.14 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3m16 s THR 102 CO -0.07 0.53 0.08 -0.70 -0.69 0.00 0.00 174.62 173.76 3m16 s GLU 103 N -0.10 3.68 0.55 4.92 2.12 -1.26 0.47 118.70 129.08 3m16 s GLU 103 Ca -0.04 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 3m16 s GLU 103 Cb -0.13 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 3m16 s GLU 103 CO 0.03 0.49 1.26 0.14 -0.54 0.00 0.00 175.26 176.64 3m16 s VAL 104 N -0.23 2.51 -0.47 3.70 -7.23 -0.64 -4.88 120.40 113.16 3m16 s VAL 104 Ca 0.09 0.35 -0.43 0.00 -1.81 0.00 0.00 61.98 60.18 3m16 s VAL 104 Cb -0.12 -3.17 -0.18 0.00 0.56 0.00 0.00 36.38 33.47 3m16 s VAL 104 CO 0.01 -0.03 1.70 -0.67 -0.31 0.00 0.00 175.10 175.80 3m16 n ASP 105 N -1.14 0.98 0.28 4.85 -0.08 -1.26 -4.82 116.55 115.36 3m16 n ASP 105 Ca 0.11 0.94 0.18 0.00 -1.51 0.00 0.00 54.79 54.51 3m16 n ASP 105 Cb 0.47 -0.84 0.77 0.00 2.34 0.00 0.00 41.12 43.87 3m16 n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3m16 h ALA 106 N 6.12 1.00 0.00 -1.67 0.00 -1.90 -2.02 119.26 120.78 3m16 h ALA 106 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3m16 h ALA 106 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3m16 h ALA 106 CO 0.96 0.00 0.01 0.00 0.00 0.00 0.00 179.25 180.22 3m16 h ARG 107 N 0.00 0.00 -0.05 0.00 3.08 -1.90 -1.30 114.38 114.21 3m16 h ARG 107 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m16 h ARG 107 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3m16 h ARG 107 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3m16 n LEU 108 N -2.35 1.02 0.13 3.04 4.77 -0.76 -4.57 117.00 118.27 3m16 n LEU 108 Ca -0.02 -0.38 0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3m16 n LEU 108 Cb 0.05 -0.03 0.59 0.00 -2.33 0.00 0.00 43.42 41.70 3m16 n LEU 108 CO 0.11 0.19 1.12 0.28 -1.33 0.00 0.00 177.39 177.76 3m16 h SER 109 N 1.50 0.14 -0.61 -1.43 0.02 -1.44 -1.30 113.55 110.43 3m16 h SER 109 Ca 0.00 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3m16 h SER 109 Cb 0.32 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 3m16 h SER 109 CO 0.00 0.10 0.13 0.49 -1.14 0.00 0.00 176.83 176.41 3m16 n PHE 110 N -4.49 2.12 -3.62 3.45 3.72 -1.26 -4.02 117.46 113.35 3m16 n PHE 110 Ca 0.02 -1.01 -0.29 0.00 -0.05 0.00 0.00 57.45 56.12 3m16 n PHE 110 Cb 0.19 -0.58 -0.15 0.00 -0.94 0.00 0.00 39.48 38.00 3m16 n PHE 110 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m16 s ASP 111 N -1.10 3.54 0.07 4.37 -1.08 -0.49 -4.93 116.67 117.04 3m16 s ASP 111 Ca 0.53 -1.30 -0.28 0.00 -0.52 0.00 0.00 52.55 50.99 3m16 s ASP 111 Cb 0.42 -0.52 -0.17 0.00 -1.46 0.00 0.00 42.92 41.19 3m16 s ASP 111 CO 0.13 -0.41 1.60 0.74 0.52 0.00 0.00 175.17 177.75 3m16 h THR 112 N 6.45 0.68 -0.56 1.71 2.02 -1.81 -1.97 112.91 119.43 3m16 h THR 112 Ca -0.17 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3m16 h THR 112 Cb 1.03 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3m16 h THR 112 CO 0.43 0.03 0.22 1.56 0.37 0.00 0.00 175.52 178.12 3m16 h GLN 113 N -0.52 0.84 -0.74 6.66 1.08 -1.94 -0.20 115.11 120.29 3m16 h GLN 113 Ca -0.05 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3m16 h GLN 113 Cb 0.39 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 3m16 h GLN 113 CO 0.08 0.73 0.48 0.00 -0.95 0.00 0.00 178.83 179.17 3m16 h ALA 114 N 1.07 1.46 0.21 3.87 0.00 -1.91 -1.43 119.26 122.52 3m16 h ALA 114 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3m16 h ALA 114 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m16 h ALA 114 CO -0.01 0.50 -0.10 1.15 0.00 0.00 0.00 179.25 180.78 3m16 h THR 115 N 1.00 0.88 -0.89 0.00 2.02 -0.53 -2.11 112.91 113.29 3m16 h THR 115 Ca 0.27 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3m16 h THR 115 Cb -0.10 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3m16 h THR 115 CO -0.06 0.12 0.49 1.62 0.37 0.00 0.00 175.52 178.06 3m16 h VAL 116 N -0.55 1.26 -0.45 3.16 3.04 -0.81 -0.05 116.25 121.84 3m16 h VAL 116 Ca -0.03 -0.64 0.09 0.00 -1.01 0.00 0.00 66.70 65.12 3m16 h VAL 116 Cb 0.41 0.05 -0.09 0.00 -2.01 0.00 0.00 31.29 29.65 3m16 h VAL 116 CO 0.05 0.29 -0.16 0.00 -1.01 0.00 0.00 177.57 176.73 3m16 h ALA 117 N 1.29 0.21 -0.56 3.17 0.00 -1.25 -1.14 119.26 120.97 3m16 h ALA 117 Ca 0.31 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 3m16 h ALA 117 Cb 0.03 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3m16 h ALA 117 CO -0.05 -0.50 -0.03 -0.22 0.00 0.00 0.00 179.25 178.45 3m16 h LYS 118 N -0.06 0.99 0.22 0.00 1.63 -0.45 -0.63 116.57 118.26 3m16 h LYS 118 Ca 0.22 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3m16 h LYS 118 Cb 0.40 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3m16 h LYS 118 CO -0.50 0.99 -0.14 0.00 -3.45 0.00 0.00 179.45 176.35 3m16 h ALA 119 N 1.05 -0.34 -0.68 5.00 0.00 -0.63 0.20 119.26 123.86 3m16 h ALA 119 Ca 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3m16 h ALA 119 Cb 0.56 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3m16 h ALA 119 CO 0.03 -0.70 0.36 0.00 0.00 0.00 0.00 179.25 178.94 3m16 h ARG 120 N -0.36 0.62 -0.25 0.00 3.08 -1.06 0.16 114.38 116.59 3m16 h ARG 120 Ca -0.02 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3m16 h ARG 120 Cb 0.30 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 3m16 h ARG 120 CO 0.01 0.41 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.88 3m16 h LYS 121 N 0.64 -0.21 -0.44 0.04 3.64 -0.73 0.13 116.57 119.65 3m16 h LYS 121 Ca 0.32 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3m16 h LYS 121 Cb 0.27 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3m16 h LYS 121 CO -0.22 -0.14 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.65 3m16 h LEU 122 N -0.22 0.76 -0.04 5.20 3.38 0.10 -0.28 115.31 124.22 3m16 h LEU 122 Ca 0.14 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3m16 h LEU 122 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m16 h LEU 122 CO -0.38 0.89 -0.03 0.40 0.09 0.00 0.00 178.44 179.41 3m16 h ILE 123 N 0.71 0.91 -0.20 1.22 1.08 -0.33 -2.38 117.51 118.52 3m16 h ILE 123 Ca 0.12 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 3m16 h ILE 123 Cb 0.57 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 3m16 h ILE 123 CO 0.04 0.00 -0.02 0.03 -0.69 0.00 0.00 178.15 177.51 3m16 h ARG 124 N -0.03 0.04 -0.87 2.37 2.47 0.16 0.24 114.38 118.75 3m16 h ARG 124 Ca 0.03 -0.00 0.24 0.00 -1.26 0.00 0.00 59.98 58.98 3m16 h ARG 124 Cb 0.07 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 3m16 h ARG 124 CO -0.06 0.02 0.61 -0.07 0.56 0.00 0.00 179.97 181.04 3m16 h LEU 125 N 0.04 0.11 0.20 3.04 4.07 -0.95 0.13 115.31 121.96 3m16 h LEU 125 Ca 0.09 0.01 -0.28 0.00 0.08 0.00 0.00 57.88 57.78 3m16 h LEU 125 Cb 0.13 -0.01 0.03 0.00 1.08 0.00 0.00 40.66 41.89 3m16 h LEU 125 CO -0.18 0.04 -1.23 1.88 -1.08 0.00 0.00 178.44 177.87 3m16 h TYR 126 N 0.11 0.85 -0.54 1.13 0.05 -0.13 -3.01 116.97 115.43 3m16 h TYR 126 Ca 0.43 -0.61 0.09 0.00 0.05 0.00 0.00 58.73 58.69 3m16 h TYR 126 Cb 1.51 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 39.14 3m16 h TYR 126 CO -0.00 1.47 0.14 1.96 -1.05 0.00 0.00 178.16 180.67 3m16 h GLN 127 N -0.00 0.27 -0.93 4.88 4.20 0.64 -0.90 115.11 123.27 3m16 h GLN 127 Ca -0.21 -0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.71 3m16 h GLN 127 Cb 1.96 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.62 3m16 h GLN 127 CO 0.23 0.18 0.62 -0.44 -0.67 0.00 0.00 178.83 178.76 3m16 h ASP 128 N 0.28 0.31 0.32 1.46 5.19 -1.08 0.11 116.42 123.02 3m16 h ASP 128 Ca 0.27 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3m16 h ASP 128 Cb 0.36 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3m16 h ASP 128 CO -0.33 0.11 -0.21 0.00 -3.12 0.00 0.00 179.24 175.69 3m16 n ALA 129 N -2.56 2.96 -0.34 3.45 0.00 -0.41 -4.91 120.51 118.69 3m16 n ALA 129 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3m16 n ALA 129 Cb 0.79 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3m16 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m16 n GLY 130 N 1.33 1.61 3.24 0.00 0.00 0.40 -5.09 105.19 106.68 3m16 n GLY 130 Ca 0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3m16 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m16 s ILE 131 N -2.03 2.20 0.26 -0.61 -1.09 -0.77 -5.00 121.20 114.16 3m16 s ILE 131 Ca 0.00 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.15 3m16 s ILE 131 Cb 0.00 -1.85 -0.09 0.00 -1.58 0.00 0.00 42.46 38.94 3m16 s ILE 131 CO 0.00 0.56 1.27 -0.62 -1.23 0.00 0.00 174.94 174.92 3m16 s ASP 132 N 0.32 6.92 0.51 3.58 -1.08 -1.26 -3.65 116.67 122.01 3m16 s ASP 132 Ca -0.17 2.48 0.26 0.00 -0.52 0.00 0.00 52.55 54.60 3m16 s ASP 132 Cb -0.18 -2.63 1.42 0.00 -1.46 0.00 0.00 42.92 40.08 3m16 s ASP 132 CO 0.08 -0.46 1.77 0.77 0.52 0.00 0.00 175.17 177.85 3m16 h SER 133 N 4.39 0.00 1.71 -0.34 4.64 -1.95 -1.51 113.55 120.49 3m16 h SER 133 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 3m16 h SER 133 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3m16 h SER 133 CO 0.71 0.00 -0.29 0.44 -0.87 0.00 0.00 176.83 176.82 3m16 h ASP 134 N 0.00 0.00 0.00 4.97 3.32 -1.92 -1.99 116.42 120.80 3m16 h ASP 134 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m16 h ASP 134 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3m16 h ASP 134 CO 0.00 0.26 0.00 0.54 -1.72 0.00 0.00 179.24 178.32 3m16 n ARG 135 N -3.16 0.43 -4.73 3.56 5.12 -0.57 -4.82 116.66 112.49 3m16 n ARG 135 Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 3m16 n ARG 135 Cb 0.64 -1.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.39 3m16 n ARG 135 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3m16 s ILE 136 N -2.00 1.23 -0.17 0.55 1.09 -0.75 -1.26 121.20 119.89 3m16 s ILE 136 Ca 0.16 -0.66 0.01 0.00 -1.10 0.00 0.00 60.65 59.06 3m16 s ILE 136 Cb 0.07 -1.03 0.02 0.00 -1.06 0.00 0.00 42.46 40.47 3m16 s ILE 136 CO 0.13 0.35 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.37 3m16 s LEU 137 N -0.31 1.99 -0.16 2.97 1.43 0.18 -4.46 118.68 120.31 3m16 s LEU 137 Ca 0.05 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.33 3m16 s LEU 137 Cb -0.07 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 3m16 s LEU 137 CO -0.00 -0.02 0.67 -0.63 0.23 0.00 0.00 176.35 176.60 3m16 s ILE 138 N 1.35 5.01 -0.16 -0.59 -1.09 -0.32 -1.23 121.20 124.17 3m16 s ILE 138 Ca 0.05 1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 59.65 3m16 s ILE 138 Cb -0.13 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3m16 s ILE 138 CO -0.12 0.14 0.25 -0.75 -1.23 0.00 0.00 174.94 173.23 3m16 s LYS 139 N 1.62 4.20 -0.03 2.79 2.20 0.18 -0.88 119.74 129.80 3m16 s LYS 139 Ca 0.32 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 3m16 s LYS 139 Cb -0.16 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3m16 s LYS 139 CO 0.12 0.29 -0.09 0.42 -0.36 0.00 0.00 175.35 175.73 3m16 s ILE 140 N 0.34 0.81 0.36 5.43 1.01 -0.60 -1.61 121.20 126.93 3m16 s ILE 140 Ca 0.14 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 3m16 s ILE 140 Cb -0.12 -0.73 -0.11 0.00 0.01 0.00 0.00 42.46 41.50 3m16 s ILE 140 CO 0.03 0.26 1.46 0.00 0.00 0.00 0.00 174.94 176.68 3m16 n ALA 141 N 3.42 2.16 -1.24 9.38 0.00 -1.26 -1.12 120.51 131.84 3m16 n ALA 141 Ca -0.19 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 3m16 n ALA 141 Cb 0.54 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 3m16 n ALA 141 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3m16 n SER 142 N 0.75 6.35 -4.91 0.00 7.64 0.02 -4.38 113.62 119.08 3m16 n SER 142 Ca 0.03 -2.71 -0.28 0.00 1.01 0.00 0.00 58.87 56.92 3m16 n SER 142 Cb 0.38 -1.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.25 3m16 n SER 142 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3m16 s THR 143 N 0.29 2.60 0.13 0.44 -4.23 -1.26 -4.87 115.64 108.75 3m16 s THR 143 Ca 0.65 0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.95 3m16 s THR 143 Cb 0.30 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3m16 s THR 143 CO -0.07 -0.19 1.67 -0.25 -0.54 0.00 0.00 174.62 175.25 3m16 h TRP 144 N -0.72 -0.34 -0.94 3.99 2.91 -1.90 -0.13 115.95 118.83 3m16 h TRP 144 Ca -0.45 0.02 0.11 0.00 1.13 0.00 0.00 58.89 59.70 3m16 h TRP 144 Cb 1.30 0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 30.05 3m16 h TRP 144 CO 0.38 -0.20 0.60 0.93 -1.03 0.00 0.00 178.44 179.12 3m16 h GLU 145 N -0.15 0.88 -0.03 2.65 3.07 -1.92 0.13 114.58 119.21 3m16 h GLU 145 Ca 0.10 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.76 3m16 h GLU 145 Cb 0.30 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3m16 h GLU 145 CO -0.25 0.58 -0.66 0.78 -1.40 0.00 0.00 179.01 178.06 3m16 h GLY 146 N 0.90 0.14 0.39 -3.84 0.00 -1.43 -0.76 103.07 98.47 3m16 h GLY 146 Ca 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3m16 h GLY 146 CO -0.22 0.17 -0.10 -2.22 0.00 0.00 0.00 176.54 174.17 3m16 h ILE 147 N 0.09 1.54 -0.91 2.60 2.04 0.50 -1.33 117.51 122.03 3m16 h ILE 147 Ca -0.01 -1.73 0.22 0.00 1.00 0.00 0.00 64.86 64.34 3m16 h ILE 147 Cb 1.18 2.65 -0.12 0.00 -0.74 0.00 0.00 36.82 39.78 3m16 h ILE 147 CO 0.10 0.46 0.43 1.56 0.00 0.00 0.00 178.15 180.70 3m16 h GLN 148 N -0.57 0.43 0.26 2.37 1.08 -0.78 0.16 115.11 118.05 3m16 h GLN 148 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3m16 h GLN 148 Cb 0.81 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 3m16 h GLN 148 CO 0.02 0.28 -0.29 0.00 -0.95 0.00 0.00 178.83 177.89 3m16 h ALA 149 N 1.71 -0.59 -0.95 3.87 0.00 -1.03 -2.56 119.26 119.70 3m16 h ALA 149 Ca 0.57 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.54 3m16 h ALA 149 Cb 1.08 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 3m16 h ALA 149 CO -0.51 -0.87 0.60 0.00 0.00 0.00 0.00 179.25 178.47 3m16 h ALA 150 N 0.00 1.69 0.13 0.00 0.00 0.19 -0.83 119.26 120.44 3m16 h ALA 150 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m16 h ALA 150 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3m16 h ALA 150 CO -0.08 0.05 -0.41 -0.22 0.00 0.00 0.00 179.25 178.59 3m16 h LYS 151 N 0.82 -0.58 -0.32 0.00 3.64 -0.53 0.22 116.57 119.82 3m16 h LYS 151 Ca 0.48 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.97 3m16 h LYS 151 Cb 0.65 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.52 3m16 h LYS 151 CO -0.25 -0.39 -0.27 0.82 -2.27 0.00 0.00 179.45 177.10 3m16 h ILE 152 N -0.60 0.33 -0.47 2.00 1.08 -0.86 -0.44 117.51 118.55 3m16 h ILE 152 Ca -0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 3m16 h ILE 152 Cb 0.60 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3m16 h ILE 152 CO -0.20 0.00 0.07 -0.07 -0.69 0.00 0.00 178.15 177.26 3m16 h LEU 153 N -0.24 0.75 -0.55 1.44 4.07 -0.95 -2.65 115.31 117.18 3m16 h LEU 153 Ca 0.16 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 3m16 h LEU 153 Cb 0.49 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 3m16 h LEU 153 CO -0.46 0.82 0.23 -0.08 -1.08 0.00 0.00 178.44 177.87 3m16 h GLU 154 N 0.64 0.82 -0.09 1.13 4.57 -0.29 0.11 114.58 121.47 3m16 h GLU 154 Ca 0.14 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3m16 h GLU 154 Cb 0.39 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3m16 h GLU 154 CO 0.01 0.71 0.25 0.00 -1.18 0.00 0.00 179.01 178.79 3m16 h ALA 155 N 1.07 1.48 -0.27 2.92 0.00 -0.72 0.41 119.26 124.14 3m16 h ALA 155 Ca 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3m16 h ALA 155 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3m16 h ALA 155 CO -0.02 -0.30 0.00 -0.85 0.00 0.00 0.00 179.25 178.09 3m16 n GLU 156 N -3.25 2.94 -1.09 0.00 0.28 -0.58 -4.97 120.64 113.97 3m16 n GLU 156 Ca -0.00 -2.86 -0.03 0.00 -0.16 0.00 0.00 57.16 54.10 3m16 n GLU 156 Cb 0.33 -1.86 -0.01 0.00 1.43 0.00 0.00 31.44 31.33 3m16 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m16 n GLY 157 N -0.50 0.62 3.65 -1.84 0.00 0.14 -5.02 105.19 102.24 3m16 n GLY 157 Ca 0.22 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 3m16 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m16 s ILE 158 N -2.11 5.18 0.02 -0.61 1.01 0.27 -4.96 121.20 120.00 3m16 s ILE 158 Ca 0.00 0.69 -0.20 0.00 0.00 0.00 0.00 60.65 61.14 3m16 s ILE 158 Cb 0.00 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 3m16 s ILE 158 CO 0.00 0.22 0.57 -1.00 0.00 0.00 0.00 174.94 174.73 3m16 s HIS 159 N 1.54 3.72 -0.05 3.97 3.76 -1.26 -2.78 115.29 124.19 3m16 s HIS 159 Ca 0.18 1.20 0.04 0.00 -0.15 0.00 0.00 55.06 56.33 3m16 s HIS 159 Cb -0.15 -2.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.96 3m16 s HIS 159 CO 0.08 0.44 -0.15 0.00 -0.85 0.00 0.00 174.74 174.26 3m16 s ASN 161 N -0.66 6.18 -0.42 0.00 3.84 -0.06 -1.66 114.94 122.15 3m16 s ASN 161 Ca 0.10 -1.17 -0.25 0.00 0.21 0.00 0.00 52.86 51.75 3m16 s ASN 161 Cb -0.11 -2.23 0.02 0.00 -0.55 0.00 0.00 41.25 38.39 3m16 s ASN 161 CO 0.01 -0.74 0.88 -0.76 -2.79 0.00 0.00 177.10 173.70 3m16 s LEU 162 N 2.03 4.05 0.00 3.21 2.01 0.19 -1.55 118.68 128.62 3m16 s LEU 162 Ca 0.08 0.23 0.03 0.00 0.01 0.00 0.00 54.13 54.48 3m16 s LEU 162 Cb -0.22 -3.15 0.03 0.00 0.01 0.00 0.00 46.19 42.85 3m16 s LEU 162 CO 0.09 -0.94 0.24 1.07 1.01 0.00 0.00 176.35 177.82 3m16 n THR 163 N 6.19 0.00 -3.98 5.49 5.66 -0.28 -0.47 114.28 126.89 3m16 n THR 163 Ca 0.05 -1.64 -0.27 0.00 -3.05 0.00 0.00 64.05 59.14 3m16 n THR 163 Cb 0.48 -0.05 -0.01 0.00 -1.55 0.00 0.00 70.33 69.20 3m16 n THR 163 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3m16 n LEU 164 N 0.00 -2.24 -4.65 1.09 4.77 -1.24 -0.80 117.00 113.93 3m16 n LEU 164 Ca -0.04 -0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 54.58 3m16 n LEU 164 Cb 0.46 -2.26 -0.08 0.00 -2.33 0.00 0.00 43.42 39.21 3m16 n LEU 164 CO 0.27 0.41 0.12 -0.22 -1.33 0.00 0.00 177.39 176.64 3m16 s LEU 165 N -7.02 4.12 0.00 2.23 0.20 -1.24 -4.41 118.68 112.56 3m16 s LEU 165 Ca 0.19 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.49 3m16 s LEU 165 Cb -0.10 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.13 3m16 s LEU 165 CO 0.88 -0.13 0.54 0.49 -0.29 0.00 0.00 176.35 177.85 3m16 n PHE 166 N 4.76 0.00 -3.49 5.38 3.72 -1.26 -2.48 117.46 124.08 3m16 n PHE 166 Ca -0.08 -0.14 -0.16 0.00 -0.05 0.00 0.00 57.45 57.03 3m16 n PHE 166 Cb 0.51 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 3m16 n PHE 166 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3m16 s HIS 167 N -0.27 -0.62 0.23 1.38 2.46 -1.26 -4.75 115.29 112.46 3m16 s HIS 167 Ca 0.00 0.89 -0.06 0.00 0.47 0.00 0.00 55.06 56.36 3m16 s HIS 167 Cb 0.00 0.45 0.40 0.00 -0.13 0.00 0.00 32.58 33.30 3m16 s HIS 167 CO 0.00 -0.67 1.74 0.35 -2.47 0.00 0.00 174.74 173.70 3m16 h PHE 168 N 2.71 0.51 -0.36 3.88 3.57 -1.98 -1.23 116.94 124.04 3m16 h PHE 168 Ca -0.29 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 3m16 h PHE 168 Cb 1.19 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3m16 h PHE 168 CO 0.34 0.10 0.17 0.00 -2.23 0.00 0.00 178.31 176.69 3m16 h ALA 169 N 1.50 0.46 -0.75 2.41 0.00 -1.96 0.25 119.26 121.17 3m16 h ALA 169 Ca 0.38 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3m16 h ALA 169 Cb 0.52 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3m16 h ALA 169 CO -0.36 0.02 0.44 1.96 0.00 0.00 0.00 179.25 181.31 3m16 h GLN 170 N 0.44 0.78 -0.39 0.00 4.20 -1.79 -0.99 115.11 117.36 3m16 h GLN 170 Ca 0.12 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3m16 h GLN 170 Cb 0.11 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3m16 h GLN 170 CO -0.02 0.51 0.16 0.00 -0.67 0.00 0.00 178.83 178.82 3m16 h ALA 171 N 1.37 0.46 -0.10 3.87 0.00 0.24 0.12 119.26 125.23 3m16 h ALA 171 Ca 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3m16 h ALA 171 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m16 h ALA 171 CO -0.18 -0.22 -0.00 0.37 0.00 0.00 0.00 179.25 179.22 3m16 h GLN 172 N 0.34 0.18 -0.78 0.00 4.15 -0.18 -2.13 115.11 116.68 3m16 h GLN 172 Ca 0.17 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.56 3m16 h GLN 172 Cb 0.12 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 3m16 h GLN 172 CO -0.15 0.44 0.50 0.00 -1.93 0.00 0.00 178.83 177.69 3m16 h ALA 173 N 0.73 1.02 -0.87 3.38 0.00 -0.99 0.29 119.26 122.82 3m16 h ALA 173 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3m16 h ALA 173 Cb 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3m16 h ALA 173 CO 0.01 0.33 0.50 0.00 0.00 0.00 0.00 179.25 180.08 3m16 h ALA 175 N 1.27 0.08 -0.14 0.00 0.00 -0.61 -2.22 119.26 117.63 3m16 h ALA 175 Ca 0.31 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3m16 h ALA 175 Cb -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m16 h ALA 175 CO -0.05 0.34 0.18 0.93 0.00 0.00 0.00 179.25 180.64 3m16 h GLU 176 N -0.12 0.00 -0.64 0.00 5.08 -0.15 0.09 114.58 118.84 3m16 h GLU 176 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3m16 h GLU 176 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3m16 h GLU 176 CO 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 3m16 n ALA 177 N -2.27 2.42 -1.35 3.43 0.00 -0.65 -4.93 120.51 117.16 3m16 n ALA 177 Ca 0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 53.44 52.30 3m16 n ALA 177 Cb 0.29 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 3m16 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m16 n GLY 178 N 1.50 0.44 3.75 0.00 0.00 0.02 -4.20 105.19 106.70 3m16 n GLY 178 Ca 0.21 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3m16 n GLY 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m16 n THR 179 N -3.28 1.55 0.30 2.61 -1.04 -0.87 -4.93 114.28 108.62 3m16 n THR 179 Ca -0.02 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.05 61.44 3m16 n THR 179 Cb 0.20 -1.93 -0.08 0.00 -1.82 0.00 0.00 70.33 66.69 3m16 n THR 179 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3m16 h THR 180 N 3.10 0.42 -3.71 12.58 2.02 -1.91 -3.38 112.91 122.04 3m16 h THR 180 Ca -0.49 -0.17 -0.17 0.00 0.77 0.00 0.00 66.41 66.36 3m16 h THR 180 Cb 1.24 0.49 -0.22 0.00 -1.74 0.00 0.00 68.15 67.92 3m16 h THR 180 CO 0.71 0.03 -0.60 -0.22 0.37 0.00 0.00 175.52 175.81 3m16 s LEU 181 N -9.88 1.86 0.02 2.58 0.20 -0.67 -0.32 118.68 112.46 3m16 s LEU 181 Ca -0.16 -0.26 0.08 0.00 0.69 0.00 0.00 54.13 54.48 3m16 s LEU 181 Cb 0.03 0.37 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 3m16 s LEU 181 CO 0.58 -0.28 -0.25 0.27 -0.29 0.00 0.00 176.35 176.38 3m16 s ILE 182 N -1.17 2.22 -0.58 6.68 -4.36 0.07 -0.64 121.20 123.43 3m16 s ILE 182 Ca -0.13 -1.24 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 3m16 s ILE 182 Cb -0.07 -1.84 0.14 0.00 1.25 0.00 0.00 42.46 41.94 3m16 s ILE 182 CO 0.00 0.45 0.34 -0.94 0.24 0.00 0.00 174.94 175.03 3m16 s SER 183 N -1.02 4.44 0.30 4.36 1.04 0.38 -4.56 113.70 118.63 3m16 s SER 183 Ca 0.11 -3.30 -0.29 0.00 0.48 0.00 0.00 55.95 52.96 3m16 s SER 183 Cb -0.10 -1.60 -0.10 0.00 0.10 0.00 0.00 66.02 64.32 3m16 s SER 183 CO 0.01 -0.18 1.22 -2.84 0.98 0.00 0.00 173.24 172.43 3m16 s PRO 184 N -0.68 4.48 -0.79 4.02 0.02 -1.26 -3.61 135.00 137.18 3m16 s PRO 184 Ca 0.20 2.02 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 3m16 s PRO 184 Cb -0.18 -3.13 0.18 0.00 0.02 0.00 0.00 34.50 31.39 3m16 s PRO 184 CO -0.06 -0.02 0.80 -0.06 -0.33 0.00 0.00 177.00 177.33 3m16 s PHE 185 N -1.04 3.51 -0.01 6.54 0.40 -1.04 -1.05 117.98 125.29 3m16 s PHE 185 Ca 0.48 -1.70 -0.23 0.00 -0.60 0.00 0.00 56.93 54.88 3m16 s PHE 185 Cb -0.36 -3.93 -0.15 0.00 0.51 0.00 0.00 43.02 39.10 3m16 s PHE 185 CO 0.47 -1.12 1.03 0.28 0.70 0.00 0.00 175.22 176.57 3m16 h VAL 186 N 5.22 0.46 -0.82 -0.44 2.07 -0.91 -2.85 116.25 118.98 3m16 h VAL 186 Ca 0.03 -0.64 0.19 0.00 0.82 0.00 0.00 66.70 67.10 3m16 h VAL 186 Cb 1.05 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3m16 h VAL 186 CO 0.89 0.09 0.55 1.23 0.02 0.00 0.00 177.57 180.35 3m16 h GLY 187 N -0.95 0.65 1.84 2.17 0.00 -0.48 -0.38 103.07 105.93 3m16 h GLY 187 Ca -0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3m16 h GLY 187 CO 0.09 0.02 -0.76 3.21 0.00 0.00 0.00 176.54 179.09 3m16 h ARG 188 N 0.33 0.15 -0.66 4.80 3.08 -1.65 0.13 114.38 120.56 3m16 h ARG 188 Ca 0.41 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 3m16 h ARG 188 Cb 1.11 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 3m16 h ARG 188 CO -0.12 0.84 0.11 0.82 -1.07 0.00 0.00 179.97 180.54 3m16 h ILE 189 N 0.09 1.26 0.48 2.04 2.04 -0.85 -1.28 117.51 121.29 3m16 h ILE 189 Ca -0.02 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 3m16 h ILE 189 Cb 1.34 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3m16 h ILE 189 CO 0.11 0.38 -0.26 0.25 0.00 0.00 0.00 178.15 178.64 3m16 h LEU 190 N 1.01 -0.62 -0.83 1.44 5.85 -0.82 -2.24 115.31 119.09 3m16 h LEU 190 Ca 0.20 0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.18 3m16 h LEU 190 Cb 0.43 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.47 3m16 h LEU 190 CO 0.01 -0.42 0.02 0.47 -0.34 0.00 0.00 178.44 178.18 3m16 n ASP 191 N -3.91 -0.10 -0.05 1.25 8.00 0.39 -0.28 116.55 121.84 3m16 n ASP 191 Ca -0.08 1.41 -0.12 0.00 0.71 0.00 0.00 54.79 56.71 3m16 n ASP 191 Cb 0.27 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 3m16 n ASP 191 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3m16 h TRP 192 N 0.00 0.29 -0.31 1.24 7.01 -0.75 -2.02 115.95 121.41 3m16 h TRP 192 Ca 0.50 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.44 3m16 h TRP 192 Cb 1.04 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 3m16 h TRP 192 CO -0.42 0.45 0.12 1.88 -2.79 0.00 0.00 178.44 177.68 3m16 h TYR 193 N 0.05 0.47 -0.95 2.65 -1.99 -0.08 -2.46 116.97 114.66 3m16 h TYR 193 Ca 0.05 -0.04 0.15 0.00 2.00 0.00 0.00 58.73 60.89 3m16 h TYR 193 Cb 0.32 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.83 3m16 h TYR 193 CO 0.02 0.46 0.60 0.87 -0.00 0.00 0.00 178.16 180.12 3m16 h LYS 194 N 0.35 0.75 -0.34 4.88 1.57 -1.19 -0.95 116.57 121.64 3m16 h LYS 194 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3m16 h LYS 194 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3m16 h LYS 194 CO -0.01 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 3m16 n ALA 195 N -2.39 2.45 -1.18 3.86 0.00 -0.77 -4.40 120.51 118.08 3m16 n ALA 195 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3m16 n ALA 195 Cb 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3m16 n ALA 195 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m16 n ASN 196 N 0.56 0.00 -0.01 0.00 3.02 -0.82 -4.99 115.26 113.04 3m16 n ASN 196 Ca 0.13 -0.57 -0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3m16 n ASN 196 Cb 0.32 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 3m16 n ASN 196 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3m16 n SER 197 N 0.00 4.55 0.00 6.41 3.41 -0.42 -5.02 113.62 122.55 3m16 n SER 197 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3m16 n SER 197 Cb 0.14 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3m16 n SER 197 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m16 n GLY 198 N 2.68 2.97 3.75 5.00 0.00 -1.26 -4.98 105.19 113.34 3m16 n GLY 198 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3m16 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m16 s GLN 199 N -0.21 4.71 0.00 1.61 -0.21 -1.26 -4.92 119.66 119.38 3m16 s GLN 199 Ca 0.00 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.02 3m16 s GLN 199 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 3m16 s GLN 199 CO 0.00 0.28 0.00 -1.13 -2.12 0.00 0.00 175.29 172.32 3m16 n SER 200 N 1.78 0.00 -4.36 5.90 3.41 -1.26 -4.35 113.62 114.73 3m16 n SER 200 Ca -0.00 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.40 3m16 n SER 200 Cb 0.46 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 3m16 n SER 200 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3m16 s GLU 201 N 0.00 2.89 0.06 4.33 2.56 -1.26 -4.95 118.70 122.33 3m16 s GLU 201 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 54.97 54.24 3m16 s GLU 201 Cb 0.00 -2.41 -0.03 0.00 2.00 0.00 0.00 34.13 33.70 3m16 s GLU 201 CO 0.00 0.37 -0.10 0.71 -0.56 0.00 0.00 175.26 175.68 3m16 s TYR 202 N -0.09 0.91 0.28 5.30 2.02 -1.26 -5.08 117.35 119.42 3m16 s TYR 202 Ca -0.03 -0.52 0.09 0.00 -0.37 0.00 0.00 57.07 56.23 3m16 s TYR 202 Cb -0.14 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3m16 s TYR 202 CO 0.04 -0.03 0.05 -1.54 -1.57 0.00 0.00 175.55 172.50 3m16 s SER 203 N -1.80 4.71 0.18 2.29 1.04 -1.26 -4.89 113.70 113.97 3m16 s SER 203 Ca -0.05 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 3m16 s SER 203 Cb -0.08 -0.91 0.18 0.00 0.10 0.00 0.00 66.02 65.31 3m16 s SER 203 CO 0.01 -0.06 1.22 0.00 0.98 0.00 0.00 173.24 175.39 3m16 n ALA 204 N -0.98 -0.10 -0.22 5.32 0.00 -1.26 0.92 120.51 124.18 3m16 n ALA 204 Ca -0.06 0.78 0.01 0.00 0.00 0.00 0.00 53.44 54.17 3m16 n ALA 204 Cb 0.59 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.83 3m16 n ALA 204 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3m16 h SER 205 N 0.00 0.27 0.38 0.00 0.02 -1.96 -3.12 113.55 109.15 3m16 h SER 205 Ca 0.27 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3m16 h SER 205 Cb 0.47 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3m16 h SER 205 CO -0.78 0.15 -0.64 -0.62 -1.14 0.00 0.00 176.83 173.80 3m16 n GLU 206 N -4.98 0.01 -1.55 3.45 1.02 0.26 -4.61 120.64 114.24 3m16 n GLU 206 Ca 0.10 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.73 3m16 n GLU 206 Cb 0.31 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 3m16 n GLU 206 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3m16 n ASP 207 N -1.52 2.47 0.27 1.62 -0.08 -0.03 -4.83 116.55 114.46 3m16 n ASP 207 Ca 0.05 0.65 0.14 0.00 -1.51 0.00 0.00 54.79 54.12 3m16 n ASP 207 Cb 0.34 -1.27 0.76 0.00 2.34 0.00 0.00 41.12 43.29 3m16 n ASP 207 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m16 h PRO 208 N 10.76 0.00 0.00 -0.67 0.11 -1.90 0.19 132.00 140.49 3m16 h PRO 208 Ca -0.36 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3m16 h PRO 208 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3m16 h PRO 208 CO 0.99 0.10 -0.00 0.78 -0.21 0.00 0.00 178.00 179.66 3m16 h GLY 209 N 0.87 -0.00 0.85 -0.55 0.00 -1.86 -1.27 103.07 101.11 3m16 h GLY 209 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3m16 h GLY 209 CO 0.01 -0.00 0.35 -2.08 0.00 0.00 0.00 176.54 174.83 3m16 h VAL 210 N -0.28 1.05 -0.01 4.60 2.07 -1.39 0.72 116.25 123.01 3m16 h VAL 210 Ca -0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3m16 h VAL 210 Cb 0.28 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3m16 h VAL 210 CO 0.00 0.13 -0.06 0.58 0.02 0.00 0.00 177.57 178.24 3m16 h VAL 211 N 0.69 0.85 0.08 2.57 2.07 -1.03 -0.75 116.25 120.74 3m16 h VAL 211 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.78 3m16 h VAL 211 Cb 0.04 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3m16 h VAL 211 CO -0.11 0.00 -0.16 0.28 0.02 0.00 0.00 177.57 177.60 3m16 h SER 212 N -0.09 -0.46 0.26 0.57 0.02 -0.69 -1.27 113.55 111.88 3m16 h SER 212 Ca 0.03 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3m16 h SER 212 Cb 0.13 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3m16 h SER 212 CO -0.07 -0.24 -0.17 0.58 -1.14 0.00 0.00 176.83 175.80 3m16 h VAL 213 N -0.31 0.90 -0.12 2.27 2.07 -0.77 -2.20 116.25 118.09 3m16 h VAL 213 Ca 0.03 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3m16 h VAL 213 Cb 0.34 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3m16 h VAL 213 CO -0.10 0.16 -0.24 0.74 0.02 0.00 0.00 177.57 178.15 3m16 h THR 214 N 0.00 1.38 -0.49 2.57 2.02 -0.66 -0.36 112.91 117.37 3m16 h THR 214 Ca -0.00 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.72 3m16 h THR 214 Cb 0.34 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 3m16 h THR 214 CO 0.02 0.44 0.21 -0.08 0.37 0.00 0.00 175.52 176.48 3m16 h GLU 215 N -0.05 0.40 0.33 6.66 4.81 -0.65 -0.77 114.58 125.30 3m16 h GLU 215 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3m16 h GLU 215 Cb 0.83 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3m16 h GLU 215 CO 0.05 0.26 -0.16 0.82 -0.73 0.00 0.00 179.01 179.26 3m16 h ILE 216 N 0.41 0.69 -0.42 2.32 2.04 -1.42 0.22 117.51 121.35 3m16 h ILE 216 Ca 0.23 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 66.09 3m16 h ILE 216 Cb 0.19 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 3m16 h ILE 216 CO -0.20 0.02 -0.15 0.22 0.00 0.00 0.00 178.15 178.03 3m16 h TYR 217 N -0.48 -0.37 -0.51 1.37 3.20 -0.50 0.22 116.97 119.90 3m16 h TYR 217 Ca -0.04 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.89 3m16 h TYR 217 Cb 0.37 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3m16 h TYR 217 CO -0.04 -0.24 0.30 -0.91 -1.64 0.00 0.00 178.16 175.63 3m16 h ASN 218 N -0.06 0.48 -0.67 -2.11 -0.26 -0.85 -1.69 115.58 110.43 3m16 h ASN 218 Ca 0.21 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.99 3m16 h ASN 218 Cb 0.38 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.50 3m16 h ASN 218 CO -0.47 0.34 0.40 0.15 -1.06 0.00 0.00 177.43 176.79 3m16 h PHE 219 N 0.60 0.74 0.82 1.19 3.57 0.27 -0.20 116.94 123.93 3m16 h PHE 219 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3m16 h PHE 219 Cb 0.03 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.54 3m16 h PHE 219 CO -0.07 0.40 -0.39 1.88 -2.23 0.00 0.00 178.31 177.90 3m16 h TYR 220 N 0.77 -1.02 -0.08 0.41 -1.99 -0.03 -2.29 116.97 112.73 3m16 h TYR 220 Ca 0.28 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 3m16 h TYR 220 Cb 0.08 0.34 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 3m16 h TYR 220 CO -0.06 -0.63 0.02 0.87 -0.00 0.00 0.00 178.16 178.37 3m16 h LYS 221 N -1.13 0.13 0.00 4.88 1.79 -1.28 -0.94 116.57 120.01 3m16 h LYS 221 Ca -0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3m16 h LYS 221 Cb 0.85 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3m16 h LYS 221 CO 0.18 0.30 0.00 -1.13 -1.08 0.00 0.00 179.45 177.72 3m16 n SER 222 N -4.91 0.55 -0.36 0.86 3.41 -0.09 -1.89 113.62 111.19 3m16 n SER 222 Ca -0.06 0.71 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 3m16 n SER 222 Cb 0.14 -0.80 0.06 0.00 -0.26 0.00 0.00 64.21 63.36 3m16 n SER 222 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3m16 n HIS 223 N -2.18 0.15 -0.19 7.33 8.25 -0.86 -1.59 115.22 126.12 3m16 n HIS 223 Ca -0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3m16 n HIS 223 Cb 0.10 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3m16 n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m16 n GLY 224 N 0.31 2.54 3.66 -1.41 0.00 -0.41 -4.49 105.19 105.39 3m16 n GLY 224 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3m16 n GLY 224 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m16 n PHE 225 N -2.00 1.97 1.03 1.61 3.72 -0.92 -4.92 117.46 117.95 3m16 n PHE 225 Ca 0.00 0.58 0.12 0.00 -0.05 0.00 0.00 57.45 58.10 3m16 n PHE 225 Cb 0.00 -2.38 0.20 0.00 -0.94 0.00 0.00 39.48 36.37 3m16 n PHE 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3m16 n LYS 226 N 0.86 0.13 -1.70 -1.08 4.76 -1.26 -4.59 118.16 115.28 3m16 n LYS 226 Ca 0.07 -0.08 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 3m16 n LYS 226 Cb 0.34 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3m16 n LYS 226 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3m16 n THR 227 N -1.36 0.18 -2.13 -0.18 -1.04 -1.26 -4.94 114.28 103.54 3m16 n THR 227 Ca 0.06 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 3m16 n THR 227 Cb 0.34 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.86 3m16 n THR 227 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3m16 s ILE 228 N 1.91 2.76 0.44 12.58 1.09 0.56 -4.87 121.20 135.67 3m16 s ILE 228 Ca 0.79 0.76 0.08 0.00 -1.10 0.00 0.00 60.65 61.18 3m16 s ILE 228 Cb -0.53 -3.48 -0.00 0.00 -1.06 0.00 0.00 42.46 37.38 3m16 s ILE 228 CO 0.36 0.18 0.43 -0.69 -0.10 0.00 0.00 174.94 175.12 3m16 s VAL 229 N -1.07 2.58 -0.02 2.92 1.01 -1.26 -0.75 120.40 123.81 3m16 s VAL 229 Ca 0.49 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3m16 s VAL 229 Cb -0.39 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3m16 s VAL 229 CO 0.52 0.00 0.13 -0.83 0.00 0.00 0.00 175.10 174.91 3m16 s GLY 231 N -4.21 -0.01 0.10 4.51 0.00 -1.22 -2.70 107.32 103.80 3m16 s GLY 231 Ca 0.49 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 3m16 s GLY 231 CO 0.29 -0.03 0.26 0.00 0.00 0.00 0.00 173.10 173.62 3m16 s ALA 232 N -0.73 -0.47 -0.74 3.20 0.00 -0.22 -1.46 121.76 121.34 3m16 s ALA 232 Ca -0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3m16 s ALA 232 Cb -0.05 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3m16 s ALA 232 CO 0.01 -0.55 0.65 0.45 0.00 0.00 0.00 175.76 176.31 3m16 n SER 233 N -0.12 -5.49 -4.81 0.00 2.88 -1.26 -0.57 113.62 104.26 3m16 n SER 233 Ca -0.15 -0.46 -0.38 0.00 -1.33 0.00 0.00 58.87 56.54 3m16 n SER 233 Cb 0.63 -3.96 -0.06 0.00 -0.75 0.00 0.00 64.21 60.07 3m16 n SER 233 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3m16 s PHE 234 N -3.25 3.78 0.11 0.66 0.08 -1.26 0.13 117.98 118.22 3m16 s PHE 234 Ca 0.30 1.26 0.10 0.00 0.12 0.00 0.00 56.93 58.70 3m16 s PHE 234 Cb -0.04 -2.49 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 3m16 s PHE 234 CO 0.54 0.56 1.42 0.00 -0.10 0.00 0.00 175.22 177.63 3m16 h ARG 235 N 4.36 0.00 -3.39 0.44 2.47 -1.92 -3.46 114.38 112.88 3m16 h ARG 235 Ca -0.49 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.19 3m16 h ARG 235 Cb 1.21 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.42 3m16 h ARG 235 CO 0.64 0.79 -0.03 0.54 0.56 0.00 0.00 179.97 182.47 3m16 s ASN 236 N -6.68 -0.22 0.50 7.04 2.20 -1.26 -5.03 114.94 111.50 3m16 s ASN 236 Ca 0.01 -0.52 0.16 0.00 -0.94 0.00 0.00 52.86 51.57 3m16 s ASN 236 Cb 0.10 0.55 1.22 0.00 -2.00 0.00 0.00 41.25 41.12 3m16 s ASN 236 CO 0.78 -1.01 2.11 0.71 -2.94 0.00 0.00 177.10 176.75 3m16 h THR 237 N 2.26 0.98 -0.59 0.54 1.35 -1.94 -2.75 112.91 112.75 3m16 h THR 237 Ca -0.30 -0.03 0.11 0.00 -0.55 0.00 0.00 66.41 65.65 3m16 h THR 237 Cb 1.26 0.88 -0.09 0.00 -1.73 0.00 0.00 68.15 68.47 3m16 h THR 237 CO 0.40 0.02 0.09 1.23 -0.25 0.00 0.00 175.52 177.00 3m16 h GLY 238 N 0.09 0.72 0.75 5.82 0.00 -1.99 0.10 103.07 108.56 3m16 h GLY 238 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3m16 h GLY 238 CO -0.01 -0.13 -0.17 0.83 0.00 0.00 0.00 176.54 177.06 3m16 h GLU 239 N 0.22 0.37 -0.37 4.80 5.08 -1.85 -1.13 114.58 121.70 3m16 h GLU 239 Ca 0.31 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3m16 h GLU 239 Cb 0.47 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 3m16 h GLU 239 CO -0.43 0.77 -0.00 0.82 -1.00 0.00 0.00 179.01 179.17 3m16 h ILE 240 N -0.01 0.73 -0.63 3.13 2.04 -1.39 -1.76 117.51 119.61 3m16 h ILE 240 Ca 0.02 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3m16 h ILE 240 Cb 0.71 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3m16 h ILE 240 CO 0.04 0.02 0.38 -0.33 0.00 0.00 0.00 178.15 178.26 3m16 h GLU 241 N 0.10 0.72 0.00 2.37 5.08 -0.69 -0.83 114.58 121.32 3m16 h GLU 241 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3m16 h GLU 241 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3m16 h GLU 241 CO -0.30 0.47 0.00 -1.91 -1.00 0.00 0.00 179.01 176.27 3m16 n GLU 242 N -4.74 0.31 0.00 2.33 4.07 -0.44 -1.13 120.64 121.05 3m16 n GLU 242 Ca 0.06 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3m16 n GLU 242 Cb 0.10 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 3m16 n GLU 242 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3m16 n LEU 243 N -1.03 0.90 -4.68 4.31 4.77 -0.36 -4.80 117.00 116.11 3m16 n LEU 243 Ca 0.08 -0.91 -0.52 0.00 -0.03 0.00 0.00 56.01 54.62 3m16 n LEU 243 Cb 0.04 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3m16 n LEU 243 CO 0.06 0.23 1.34 0.00 -1.33 0.00 0.00 177.39 177.69 3m16 n ALA 244 N -0.02 0.34 0.00 -1.18 0.00 -0.28 -2.10 120.51 117.26 3m16 n ALA 244 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3m16 n ALA 244 Cb 0.02 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3m16 n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m16 n GLY 245 N 4.05 1.04 3.33 0.00 0.00 -1.26 -0.39 105.19 111.96 3m16 n GLY 245 Ca 0.23 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3m16 n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m16 h ASP 247 N 0.41 -1.16 -5.09 0.00 3.32 -1.92 -3.38 116.42 108.61 3m16 h ASP 247 Ca -0.37 0.16 -0.26 0.00 0.02 0.00 0.00 57.03 56.58 3m16 h ASP 247 Cb 1.44 0.49 -0.15 0.00 0.22 0.00 0.00 39.33 41.33 3m16 h ASP 247 CO 0.48 -0.20 -0.63 -0.13 -1.72 0.00 0.00 179.24 177.04 3m16 s ARG 248 N -4.50 1.17 -0.09 3.56 0.52 -1.10 -1.22 118.95 117.29 3m16 s ARG 248 Ca -0.08 -1.60 -0.04 0.00 -0.52 0.00 0.00 55.73 53.49 3m16 s ARG 248 Cb 0.05 0.04 0.05 0.00 0.52 0.00 0.00 34.95 35.61 3m16 s ARG 248 CO 0.36 -0.29 0.20 -0.51 0.02 0.00 0.00 175.30 175.08 3m16 s LEU 249 N -3.17 0.29 -0.15 2.53 1.43 -0.77 -3.38 118.68 115.45 3m16 s LEU 249 Ca 0.33 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.78 3m16 s LEU 249 Cb 0.07 0.53 -0.04 0.00 0.03 0.00 0.00 46.19 46.78 3m16 s LEU 249 CO 0.09 -0.19 0.13 0.28 0.23 0.00 0.00 176.35 176.89 3m16 s THR 250 N 1.63 5.40 -0.01 5.49 -1.32 -0.54 -0.25 115.64 126.04 3m16 s THR 250 Ca -0.05 0.18 -0.00 0.00 -1.21 0.00 0.00 61.69 60.60 3m16 s THR 250 Cb -0.11 -3.40 0.02 0.00 -1.51 0.00 0.00 72.50 67.50 3m16 s THR 250 CO -0.07 0.54 0.03 -0.63 -2.21 0.00 0.00 174.62 172.28 3m16 s ILE 251 N -0.44 -0.04 0.66 5.08 1.01 0.10 -4.07 121.20 123.51 3m16 s ILE 251 Ca 0.12 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 3m16 s ILE 251 Cb -0.12 -0.06 -0.00 0.00 0.01 0.00 0.00 42.46 42.29 3m16 s ILE 251 CO 0.01 0.05 1.29 -1.54 0.00 0.00 0.00 174.94 174.76 3m16 n SER 252 N 3.74 2.00 0.04 3.58 3.41 -1.26 -0.49 113.62 124.64 3m16 n SER 252 Ca -0.21 0.81 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3m16 n SER 252 Cb 0.54 -1.55 0.55 0.00 -0.26 0.00 0.00 64.21 63.49 3m16 n SER 252 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3m16 h PRO 253 N 0.41 0.26 0.66 4.33 0.11 -1.98 0.46 132.00 136.25 3m16 h PRO 253 Ca -0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3m16 h PRO 253 Cb 1.34 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3m16 h PRO 253 CO 0.52 0.17 -0.32 1.49 -0.21 0.00 0.00 178.00 179.66 3m16 h GLU 254 N 0.26 -0.85 -0.30 1.05 4.57 -1.96 0.16 114.58 117.50 3m16 h GLU 254 Ca 0.17 0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3m16 h GLU 254 Cb 0.35 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3m16 h GLU 254 CO -0.03 -0.54 0.08 -0.07 -1.18 0.00 0.00 179.01 177.27 3m16 h LEU 255 N -1.00 0.39 -0.23 1.64 3.38 -1.83 -1.92 115.31 115.74 3m16 h LEU 255 Ca -0.09 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3m16 h LEU 255 Cb 0.71 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3m16 h LEU 255 CO 0.15 0.40 0.13 0.25 0.09 0.00 0.00 178.44 179.46 3m16 h LEU 256 N 0.43 0.21 -0.25 1.67 5.85 0.07 -0.99 115.31 122.30 3m16 h LEU 256 Ca 0.10 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3m16 h LEU 256 Cb 0.16 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3m16 h LEU 256 CO -0.00 0.15 0.02 0.00 -0.34 0.00 0.00 178.44 178.27 3m16 h ALA 257 N 1.10 0.23 -0.55 1.25 0.00 0.06 -2.24 119.26 119.11 3m16 h ALA 257 Ca 0.09 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3m16 h ALA 257 Cb -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3m16 h ALA 257 CO -0.04 -0.40 0.21 1.96 0.00 0.00 0.00 179.25 180.97 3m16 h GLN 258 N 0.10 0.38 -0.79 0.00 4.20 -1.04 -0.92 115.11 117.04 3m16 h GLN 258 Ca 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3m16 h GLN 258 Cb 0.14 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3m16 h GLN 258 CO -0.18 0.25 0.49 -0.07 -0.67 0.00 0.00 178.83 178.65 3m16 h LEU 259 N 0.39 0.94 -0.87 1.46 3.38 -0.85 -2.27 115.31 117.49 3m16 h LEU 259 Ca 0.27 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 3m16 h LEU 259 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3m16 h LEU 259 CO -0.27 0.71 -0.31 -0.08 0.09 0.00 0.00 178.44 178.58 3m16 h GLU 260 N 1.08 0.47 0.00 1.13 4.81 -0.65 -2.63 114.58 118.77 3m16 h GLU 260 Ca 0.28 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3m16 h GLU 260 Cb -0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3m16 h GLU 260 CO -0.06 0.73 -0.14 0.00 -0.73 0.00 0.00 179.01 178.81 3m16 h ALA 261 N 1.26 0.98 -2.64 2.92 0.00 -0.88 -3.42 119.26 117.47 3m16 h ALA 261 Ca 0.05 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 3m16 h ALA 261 Cb 0.75 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3m16 h ALA 261 CO 0.06 0.18 0.12 0.34 0.00 0.00 0.00 179.25 179.95 3m16 s ASP 262 N -6.07 6.90 0.00 0.00 -1.08 -0.88 -4.96 116.67 110.58 3m16 s ASP 262 Ca 0.02 1.09 0.13 0.00 -0.52 0.00 0.00 52.55 53.28 3m16 s ASP 262 Cb 0.09 -2.40 -0.12 0.00 -1.46 0.00 0.00 42.92 39.03 3m16 s ASP 262 CO 0.62 -0.18 0.61 0.35 0.52 0.00 0.00 175.17 177.09 3m16 n THR 263 N 4.09 0.00 -1.46 1.71 -2.24 -1.26 -1.32 114.28 113.79 3m16 n THR 263 Ca -0.01 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 3m16 n THR 263 Cb 0.51 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.81 3m16 n THR 263 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3m16 n SER 264 N -1.10 -0.75 -4.74 3.42 7.64 -1.26 -4.73 113.62 112.10 3m16 n SER 264 Ca 0.03 0.72 -0.34 0.00 1.01 0.00 0.00 58.87 60.30 3m16 n SER 264 Cb 0.22 -1.22 0.08 0.00 -1.01 0.00 0.00 64.21 62.28 3m16 n SER 264 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3m16 s PRO 265 N -2.31 2.39 -0.32 1.43 0.04 -1.26 -4.47 135.00 130.50 3m16 s PRO 265 Ca 0.70 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 3m16 s PRO 265 Cb -0.42 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.30 3m16 s PRO 265 CO 0.53 -1.62 0.02 -1.17 0.04 0.00 0.00 177.00 174.81 3m16 s LEU 266 N -5.03 4.13 0.08 -3.56 1.98 -1.26 -5.05 118.68 109.98 3m16 s LEU 266 Ca 0.72 -1.49 -0.31 0.00 -2.89 0.00 0.00 54.13 50.15 3m16 s LEU 266 Cb -0.26 -1.70 -0.07 0.00 0.66 0.00 0.00 46.19 44.82 3m16 s LEU 266 CO 0.43 -0.31 1.31 -0.70 -1.89 0.00 0.00 176.35 175.20 3m16 s GLU 267 N 1.18 4.36 0.24 1.98 2.12 -1.26 -4.90 118.70 122.42 3m16 s GLU 267 Ca -0.02 1.94 -0.30 0.00 0.36 0.00 0.00 54.97 56.95 3m16 s GLU 267 Cb -0.20 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 3m16 s GLU 267 CO -0.03 -0.37 1.35 -1.14 -0.54 0.00 0.00 175.26 174.53 3m16 s GLN 268 N 1.18 4.35 -0.05 4.30 0.74 -1.26 -4.79 119.66 124.13 3m16 s GLN 268 Ca 0.62 2.16 0.02 0.00 0.05 0.00 0.00 55.36 58.21 3m16 s GLN 268 Cb -0.33 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 3m16 s GLN 268 CO 0.29 -0.28 -0.01 1.63 -0.55 0.00 0.00 175.29 176.37 3m16 n LYS 269 N 2.19 1.95 -4.19 1.67 4.76 0.48 -5.00 118.16 120.01 3m16 n LYS 269 Ca 0.05 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.15 3m16 n LYS 269 Cb 0.42 -1.11 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 3m16 n LYS 269 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3m16 s LEU 270 N -4.75 3.84 0.20 -0.35 1.43 -0.22 -4.99 118.68 113.83 3m16 s LEU 270 Ca -0.05 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3m16 s LEU 270 Cb 0.02 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3m16 s LEU 270 CO 0.16 0.36 -0.12 -0.36 0.23 0.00 0.00 176.35 176.63 3m16 s PHE 271 N -0.76 1.61 -0.26 0.29 0.08 -1.26 -4.36 117.98 113.32 3m16 s PHE 271 Ca 0.12 -0.65 -0.28 0.00 0.12 0.00 0.00 56.93 56.23 3m16 s PHE 271 Cb -0.12 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 3m16 s PHE 271 CO 0.03 0.25 1.91 -2.14 -0.10 0.00 0.00 175.22 175.17 3m16 s PRO 272 N -3.69 3.37 0.07 0.24 0.02 -1.26 -4.98 135.00 128.77 3m16 s PRO 272 Ca 0.22 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.97 3m16 s PRO 272 Cb 0.01 -4.23 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 3m16 s PRO 272 CO 0.06 -1.81 0.12 0.96 -0.33 0.00 0.00 177.00 175.99 3m16 s ILE 273 N 6.98 4.78 0.37 2.83 -4.36 -1.26 -5.08 121.20 125.47 3m16 s ILE 273 Ca 0.86 -0.65 -0.25 0.00 -0.26 0.00 0.00 60.65 60.34 3m16 s ILE 273 Cb -0.27 -3.31 -0.09 0.00 1.25 0.00 0.00 42.46 40.04 3m16 s ILE 273 CO 0.34 0.14 1.07 -0.54 0.24 0.00 0.00 174.94 176.19 3m16 s LYS 274 N -2.40 4.25 -0.25 0.37 1.02 -1.26 -4.65 119.74 116.82 3m16 s LYS 274 Ca 0.31 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.62 3m16 s LYS 274 Cb -0.12 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3m16 s LYS 274 CO 0.23 -0.08 1.04 -2.00 -0.92 0.00 0.00 175.35 173.62 3m16 s GLU 275 N -2.24 4.22 0.00 1.68 2.12 -1.25 -4.27 118.70 118.95 3m16 s GLU 275 Ca 0.55 1.29 0.00 0.00 0.36 0.00 0.00 54.97 57.17 3m16 s GLU 275 Cb -0.25 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.48 3m16 s GLU 275 CO 0.32 -0.67 0.00 0.25 -0.54 0.00 0.00 175.26 174.61 3m16 n THR 276 N 5.42 0.00 -4.31 -1.70 -2.24 -1.07 -5.00 114.28 105.38 3m16 n THR 276 Ca 0.12 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 3m16 n THR 276 Cb 0.46 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 3m16 n THR 276 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m16 s LYS 277 N 0.00 2.34 0.28 -0.78 1.02 -0.62 -5.07 119.74 116.92 3m16 s LYS 277 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3m16 s LYS 277 Cb 0.00 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 3m16 s LYS 277 CO 0.00 0.55 1.20 -0.51 -0.92 0.00 0.00 175.35 175.66 3m16 s ASP 278 N -1.92 7.05 0.08 2.83 1.01 -1.26 -4.59 116.67 119.87 3m16 s ASP 278 Ca 0.20 2.43 -0.37 0.00 0.71 0.00 0.00 52.55 55.52 3m16 s ASP 278 Cb -0.11 -2.63 -0.17 0.00 1.01 0.00 0.00 42.92 41.01 3m16 s ASP 278 CO 0.12 -0.33 1.23 0.35 0.21 0.00 0.00 175.17 176.75 3m16 n THR 279 N 1.28 0.17 -2.16 -1.27 -2.24 -1.26 -4.92 114.28 103.88 3m16 n THR 279 Ca 0.00 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 3m16 n THR 279 Cb 0.44 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.14 3m16 n THR 279 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3m16 s PRO 280 N 0.21 2.10 0.13 -0.78 0.04 -1.26 -4.99 135.00 130.46 3m16 s PRO 280 Ca 0.84 -0.23 -0.34 0.00 0.04 0.00 0.00 61.00 61.31 3m16 s PRO 280 Cb -1.02 -2.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.23 3m16 s PRO 280 CO 0.50 -1.33 1.21 0.39 0.04 0.00 0.00 177.00 177.81 3m16 n GLU 281 N -3.00 1.09 -1.62 4.56 -0.58 -1.26 -4.88 120.64 114.95 3m16 n GLU 281 Ca 0.08 0.39 -0.46 0.00 -0.42 0.00 0.00 57.16 56.75 3m16 n GLU 281 Cb 0.61 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 3m16 n GLU 281 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3m16 n LEU 282 N 2.18 2.18 -4.58 -4.62 4.32 -1.26 -4.93 117.00 110.29 3m16 n LEU 282 Ca 0.17 1.15 -0.42 0.00 -0.02 0.00 0.00 56.01 56.89 3m16 n LEU 282 Cb 0.22 -1.31 -0.05 0.00 -1.62 0.00 0.00 43.42 40.65 3m16 n LEU 282 CO 0.61 -1.02 0.54 -0.22 -1.22 0.00 0.00 177.39 176.07 3m16 s LEU 283 N 0.36 4.16 0.42 2.23 2.96 -1.26 -5.03 118.68 122.52 3m16 s LEU 283 Ca 0.68 0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 54.66 3m16 s LEU 283 Cb -0.74 -2.97 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3m16 s LEU 283 CO 0.53 -0.71 1.05 0.42 -1.32 0.00 0.00 176.35 176.32 3m16 s THR 284 N 3.02 3.74 0.18 3.68 -4.23 -1.26 -4.83 115.64 115.95 3m16 s THR 284 Ca 0.30 1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.98 3m16 s THR 284 Cb -0.13 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.33 3m16 s THR 284 CO 0.17 -0.06 1.14 1.21 -0.54 0.00 0.00 174.62 176.53 3m16 n GLU 285 N -0.30 -0.13 0.05 3.99 2.13 -1.26 -0.06 120.64 125.06 3m16 n GLU 285 Ca 0.06 1.13 0.00 0.00 0.66 0.00 0.00 57.16 59.01 3m16 n GLU 285 Cb 0.50 -1.68 0.31 0.00 0.27 0.00 0.00 31.44 30.84 3m16 n GLU 285 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m16 h ALA 286 N 1.19 1.37 -0.02 4.31 0.00 -1.99 0.66 119.26 124.78 3m16 h ALA 286 Ca 0.29 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 3m16 h ALA 286 Cb 0.48 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3m16 h ALA 286 CO -0.74 0.43 -1.00 0.77 0.00 0.00 0.00 179.25 178.72 3m16 h SER 287 N 0.38 0.88 0.22 0.00 0.02 -1.09 -1.79 113.55 112.16 3m16 h SER 287 Ca 0.08 -0.69 0.01 0.00 -0.84 0.00 0.00 61.79 60.34 3m16 h SER 287 Cb 0.42 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3m16 h SER 287 CO 0.02 1.49 -0.25 0.15 -1.14 0.00 0.00 176.83 177.10 3m16 h PHE 288 N 0.40 -0.67 -0.50 3.45 3.57 0.10 -1.12 116.94 122.17 3m16 h PHE 288 Ca -0.11 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 3m16 h PHE 288 Cb 1.65 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 3m16 h PHE 288 CO 0.10 -0.37 0.16 0.00 -2.23 0.00 0.00 178.31 175.97 3m16 h ARG 289 N -0.52 0.73 -0.18 1.11 3.08 -0.88 -2.34 114.38 115.40 3m16 h ARG 289 Ca 0.00 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3m16 h ARG 289 Cb 0.49 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3m16 h ARG 289 CO -0.08 0.64 -0.07 2.35 -1.07 0.00 0.00 179.97 181.74 3m16 h TRP 290 N 0.72 0.41 0.00 3.04 2.91 -1.06 -1.46 115.95 120.52 3m16 h TRP 290 Ca 0.17 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3m16 h TRP 290 Cb 0.21 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 3m16 h TRP 290 CO 0.01 0.65 0.00 0.00 -1.03 0.00 0.00 178.44 178.08 3m16 n ALA 291 N -2.38 0.62 0.00 2.65 0.00 -0.45 -0.91 120.51 120.04 3m16 n ALA 291 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3m16 n ALA 291 Cb 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3m16 n ALA 291 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m16 n ASN 293 N -0.03 0.00 0.02 0.00 2.85 -0.55 -2.63 115.26 114.92 3m16 n ASN 293 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 3m16 n ASN 293 Cb 0.00 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.34 3m16 n ASN 293 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3m16 n ASN 294 N 0.00 0.46 -4.11 1.20 2.85 -0.09 -4.60 115.26 110.98 3m16 n ASN 294 Ca 0.00 0.06 -0.36 0.00 -0.11 0.00 0.00 54.58 54.17 3m16 n ASN 294 Cb 0.00 -0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 3m16 n ASN 294 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3m16 s ASP 295 N -3.41 5.22 0.00 1.20 -1.08 -1.08 -5.09 116.67 112.44 3m16 s ASP 295 Ca 0.10 -2.19 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 3m16 s ASP 295 Cb 0.16 -1.82 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 3m16 s ASP 295 CO 0.66 -0.51 0.00 -2.65 0.52 0.00 0.00 175.17 173.20 3m16 n PRO 296 N 4.38 0.00 0.00 4.34 -0.02 -1.26 -0.16 135.00 142.27 3m16 n PRO 296 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3m16 n PRO 296 Cb 0.41 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3m16 n PRO 296 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m16 n ALA 298 N 0.36 0.00 -0.25 3.55 0.00 -1.26 -0.72 120.51 122.20 3m16 n ALA 298 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3m16 n ALA 298 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3m16 n ALA 298 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m16 h HIS 299 N 0.00 0.53 -0.10 0.00 6.17 -0.92 -2.18 115.15 118.65 3m16 h HIS 299 Ca 0.00 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 3m16 h HIS 299 Cb 0.00 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 29.80 3m16 h HIS 299 CO 0.00 0.11 -0.02 -0.44 0.71 0.00 0.00 177.93 178.29 3m16 h ASP 300 N 0.48 0.19 0.76 3.26 5.19 -1.14 -3.29 116.42 121.86 3m16 h ASP 300 Ca 0.38 -0.37 -0.20 0.00 -0.62 0.00 0.00 57.03 56.23 3m16 h ASP 300 Cb 0.52 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 3m16 h ASP 300 CO -0.35 0.51 -0.91 0.11 -3.12 0.00 0.00 179.24 175.47 3m16 h LYS 301 N -0.14 0.09 0.78 3.56 1.79 -1.72 -1.95 116.57 118.98 3m16 h LYS 301 Ca 0.02 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3m16 h LYS 301 Cb 0.43 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3m16 h LYS 301 CO 0.01 0.93 -0.38 1.25 -1.08 0.00 0.00 179.45 180.19 3m16 h LEU 302 N 0.04 -0.89 -0.47 2.94 5.85 -1.56 -1.68 115.31 119.54 3m16 h LEU 302 Ca -0.03 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3m16 h LEU 302 Cb 1.58 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.75 3m16 h LEU 302 CO 0.13 -0.62 -0.10 0.00 -0.34 0.00 0.00 178.44 177.52 3m16 h ALA 303 N -0.89 0.33 -0.71 1.25 0.00 -1.59 -0.42 119.26 117.23 3m16 h ALA 303 Ca -0.11 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3m16 h ALA 303 Cb 0.81 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3m16 h ALA 303 CO 0.18 -0.44 0.23 0.22 0.00 0.00 0.00 179.25 179.44 3m16 h ASP 304 N 0.02 1.03 -0.17 0.00 3.58 -1.39 0.25 116.42 119.73 3m16 h ASP 304 Ca 0.23 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 3m16 h ASP 304 Cb 0.35 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3m16 h ASP 304 CO -0.47 0.96 -0.26 1.23 -2.88 0.00 0.00 179.24 177.82 3m16 h GLY 305 N 1.04 0.70 0.92 -0.78 0.00 -0.42 0.18 103.07 104.71 3m16 h GLY 305 Ca 0.23 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3m16 h GLY 305 CO -0.01 0.55 -0.30 -2.22 0.00 0.00 0.00 176.54 174.56 3m16 h ILE 306 N 0.56 0.34 -0.50 2.60 2.04 -0.65 -0.42 117.51 121.47 3m16 h ILE 306 Ca 0.07 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3m16 h ILE 306 Cb 0.74 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 3m16 h ILE 306 CO 0.06 0.02 -0.45 0.03 0.00 0.00 0.00 178.15 177.80 3m16 h ARG 307 N -0.94 -0.27 -0.64 2.37 3.08 -0.34 0.59 114.38 118.23 3m16 h ARG 307 Ca -0.09 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3m16 h ARG 307 Cb 0.68 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 3m16 h ARG 307 CO 0.14 -0.18 0.26 -0.09 -1.07 0.00 0.00 179.97 179.03 3m16 h ARG 308 N -0.28 0.44 -0.23 0.04 2.43 -0.61 -0.37 114.38 115.80 3m16 h ARG 308 Ca 0.15 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 3m16 h ARG 308 Cb 0.57 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3m16 h ARG 308 CO -0.64 0.29 -0.53 0.74 -1.51 0.00 0.00 179.97 178.32 3m16 h PHE 309 N 0.45 0.83 -0.41 2.20 0.04 -0.29 -1.46 116.94 118.31 3m16 h PHE 309 Ca 0.32 -0.29 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3m16 h PHE 309 Cb 0.39 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3m16 h PHE 309 CO -0.15 1.05 0.15 0.00 -0.60 0.00 0.00 178.31 178.76 3m16 h ALA 310 N 0.89 0.54 -0.16 2.45 0.00 -0.47 -1.60 119.26 120.91 3m16 h ALA 310 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3m16 h ALA 310 Cb 1.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3m16 h ALA 310 CO 0.11 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.35 3m16 h ALA 311 N 1.00 -0.07 -0.05 0.00 0.00 -0.91 -0.08 119.26 119.14 3m16 h ALA 311 Ca 0.14 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3m16 h ALA 311 Cb 0.22 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3m16 h ALA 311 CO -0.01 -0.61 0.04 -0.44 0.00 0.00 0.00 179.25 178.23 3m16 h ASP 312 N -0.20 0.00 -0.28 0.00 3.32 -1.14 -0.02 116.42 118.10 3m16 h ASP 312 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3m16 h ASP 312 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3m16 h ASP 312 CO -0.28 0.00 0.07 -0.61 -1.72 0.00 0.00 179.24 176.70 3m16 h GLN 313 N 0.00 0.44 -0.24 3.56 5.75 -0.01 -1.43 115.11 123.19 3m16 h GLN 313 Ca 0.02 -0.10 -0.16 0.00 -0.15 0.00 0.00 58.65 58.26 3m16 h GLN 313 Cb 0.10 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3m16 h GLN 313 CO -0.00 0.52 -0.50 -0.39 -2.65 0.00 0.00 178.83 175.81 3m16 h VAL 314 N 0.28 1.30 -0.20 2.39 -1.51 -0.40 -0.71 116.25 117.42 3m16 h VAL 314 Ca 0.09 -1.71 -0.12 0.00 -1.23 0.00 0.00 66.70 63.73 3m16 h VAL 314 Cb 0.27 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 3m16 h VAL 314 CO -0.00 0.54 -0.40 0.71 -1.23 0.00 0.00 177.57 177.19 3m16 h THR 315 N 0.51 1.30 -0.98 7.19 1.35 -1.07 0.72 112.91 121.94 3m16 h THR 315 Ca 0.02 -1.55 0.05 0.00 -0.55 0.00 0.00 66.41 64.38 3m16 h THR 315 Cb 1.05 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.00 3m16 h THR 315 CO 0.10 0.48 0.63 0.25 -0.25 0.00 0.00 175.52 176.73 3m16 h LEU 316 N 0.38 1.03 -0.18 3.87 7.12 -1.05 -3.03 115.31 123.44 3m16 h LEU 316 Ca 0.03 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.95 3m16 h LEU 316 Cb 0.87 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.78 3m16 h LEU 316 CO 0.07 0.67 -0.26 -0.33 -0.13 0.00 0.00 178.44 178.47 3m16 h GLU 317 N 1.18 0.50 0.00 1.25 5.08 0.20 -2.45 114.58 120.34 3m16 h GLU 317 Ca 0.41 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3m16 h GLU 317 Cb 0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m16 h GLU 317 CO -0.15 0.89 0.00 0.43 -1.00 0.00 0.00 179.01 179.17 3m16 n SER 318 N -4.40 0.00 0.00 1.42 7.64 0.12 -0.14 113.62 118.26 3m16 n SER 318 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3m16 n SER 318 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3m16 n SER 318 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3m16 n LEU 320 N 0.09 0.00 -0.24 -3.43 4.77 -0.93 -2.93 117.00 114.33 3m16 n LEU 320 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3m16 n LEU 320 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3m16 n LEU 320 CO 0.00 0.00 1.13 -1.28 -1.33 0.00 0.00 177.39 175.91 3m16 h SER 321 N 0.00 0.68 0.33 -1.43 0.87 -0.83 -0.19 113.55 112.98 3m16 h SER 321 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3m16 h SER 321 Cb 0.00 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3m16 h SER 321 CO 0.00 0.46 -0.18 0.11 -0.53 0.00 0.00 176.83 176.69 3m16 h LYS 322 N 0.81 -0.46 -0.63 2.24 1.57 -1.80 -0.58 116.57 117.72 3m16 h LYS 322 Ca 0.29 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.21 3m16 h LYS 322 Cb 0.06 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3m16 h LYS 322 CO -0.13 -0.31 0.42 0.87 -0.57 0.00 0.00 179.45 179.74 3m16 h LYS 323 N -0.48 0.40 0.53 3.15 1.79 -1.84 -1.48 116.57 118.63 3m16 h LYS 323 Ca -0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 3m16 h LYS 323 Cb 0.38 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3m16 h LYS 323 CO 0.06 0.26 -0.30 0.82 -1.08 0.00 0.00 179.45 179.21 3m16 h ILE 324 N 0.41 0.39 0.00 1.86 1.08 -0.22 -3.22 117.51 117.81 3m16 h ILE 324 Ca 0.29 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 3m16 h ILE 324 Cb 0.61 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 3m16 h ILE 324 CO -0.08 0.00 0.00 0.77 -0.69 0.00 0.00 178.15 178.15 3m16 h SER 325 N -0.78 0.00 0.00 1.72 4.64 -0.15 -3.29 113.55 115.69 3m16 h SER 325 Ca -0.07 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.63 3m16 h SER 325 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3m16 h SER 325 CO 0.08 0.00 3.03 0.00 -0.87 0.00 0.00 176.83 179.07 3m16 n GLN 326 N -2.98 2.61 0.00 4.77 6.02 -0.71 -5.11 117.38 121.97 3m16 n GLN 326 Ca 0.02 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 3m16 n GLN 326 Cb 0.35 -2.94 0.00 0.00 1.02 0.00 0.00 30.24 28.68 3m16 n GLN 326 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59