#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii2 s PRO 3 N 0.00 3.40 -0.21 0.52 0.04 -1.25 -4.93 135.00 132.56 1ii2 s PRO 3 Ca 0.00 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 1ii2 s PRO 3 Cb 0.00 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ii2 s PRO 3 CO 0.00 -0.82 0.81 0.99 0.04 0.00 0.00 177.00 178.02 1ii2 s THR 4 N -1.75 4.87 -0.23 1.26 2.01 0.02 -4.89 115.64 116.93 1ii2 s THR 4 Ca 0.72 1.56 -0.13 0.00 0.31 0.00 0.00 61.69 64.15 1ii2 s THR 4 Cb -0.24 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1ii2 s THR 4 CO 0.28 -0.02 0.26 -0.63 -0.69 0.00 0.00 174.62 173.82 1ii2 s ILE 5 N 2.49 5.29 -0.39 1.82 1.01 -1.26 -1.13 121.20 129.03 1ii2 s ILE 5 Ca 0.36 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.29 1ii2 s ILE 5 Cb -0.16 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.77 1ii2 s ILE 5 CO 0.09 0.29 0.21 -1.00 0.00 0.00 0.00 174.94 174.54 1ii2 s HIS 6 N 1.27 3.28 -0.25 3.97 3.76 0.85 -4.97 115.29 123.19 1ii2 s HIS 6 Ca 0.12 -1.23 -0.11 0.00 -0.15 0.00 0.00 55.06 53.69 1ii2 s HIS 6 Cb -0.14 -2.61 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 1ii2 s HIS 6 CO 0.06 -0.74 0.19 1.03 -0.85 0.00 0.00 174.74 174.44 1ii2 s ARG 7 N 1.49 4.03 -1.31 1.40 0.52 -1.26 -0.45 118.95 123.37 1ii2 s ARG 7 Ca 0.02 -0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 1ii2 s ARG 7 Cb -0.21 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.69 1ii2 s ARG 7 CO 0.05 -0.04 0.52 0.09 0.02 0.00 0.00 175.30 175.93 1ii2 n ASN 8 N 4.62 -2.43 -4.78 0.23 3.02 0.26 -4.93 115.26 111.25 1ii2 n ASN 8 Ca -0.14 -1.14 -0.31 0.00 -0.03 0.00 0.00 54.58 52.96 1ii2 n ASN 8 Cb 0.52 -2.52 0.07 0.00 -0.61 0.00 0.00 39.78 37.24 1ii2 n ASN 8 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ii2 s LEU 9 N -7.04 3.14 0.63 3.41 1.43 -1.26 -5.01 118.68 113.98 1ii2 s LEU 9 Ca 0.26 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 55.05 1ii2 s LEU 9 Cb -0.12 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 1ii2 s LEU 9 CO 0.92 -1.82 1.05 -0.76 0.23 0.00 0.00 176.35 175.98 1ii2 s LEU 10 N -5.58 3.33 0.19 1.79 1.43 -1.26 -4.83 118.68 113.75 1ii2 s LEU 10 Ca 0.62 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 1ii2 s LEU 10 Cb -0.17 -4.51 0.22 0.00 0.03 0.00 0.00 46.19 41.76 1ii2 s LEU 10 CO 0.52 -1.22 1.69 0.28 0.23 0.00 0.00 176.35 177.85 1ii2 h SER 11 N -0.09 -0.13 -0.26 2.29 0.02 -1.99 -0.42 113.55 112.98 1ii2 h SER 11 Ca -0.45 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ii2 h SER 11 Cb 1.21 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1ii2 h SER 11 CO 0.58 -0.04 0.16 1.55 -1.14 0.00 0.00 176.83 177.94 1ii2 h PRO 12 N 0.17 0.37 -0.26 3.45 0.13 -1.99 -0.86 132.00 133.00 1ii2 h PRO 12 Ca 0.27 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.23 1ii2 h PRO 12 Cb 0.40 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1ii2 h PRO 12 CO -0.40 0.27 -0.42 0.93 -0.23 0.00 0.00 178.00 178.14 1ii2 h GLU 13 N 0.38 0.65 -0.28 0.86 5.08 -1.49 -1.71 114.58 118.06 1ii2 h GLU 13 Ca 0.10 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.96 1ii2 h GLU 13 Cb -0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ii2 h GLU 13 CO -0.02 0.95 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.41 1ii2 h LEU 14 N 0.53 0.80 -0.49 1.33 3.38 -0.47 -1.44 115.31 118.96 1ii2 h LEU 14 Ca 0.04 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1ii2 h LEU 14 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1ii2 h LEU 14 CO 0.09 1.13 0.27 0.58 0.09 0.00 0.00 178.44 180.60 1ii2 h VAL 15 N 0.59 1.17 -0.66 1.22 2.07 -1.06 0.18 116.25 119.75 1ii2 h VAL 15 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1ii2 h VAL 15 Cb 1.02 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1ii2 h VAL 15 CO 0.10 0.18 0.42 1.56 0.02 0.00 0.00 177.57 179.84 1ii2 h GLN 16 N 0.64 0.80 -0.60 1.57 4.20 -1.09 -1.39 115.11 119.24 1ii2 h GLN 16 Ca 0.17 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1ii2 h GLN 16 Cb 0.05 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1ii2 h GLN 16 CO -0.03 0.53 -0.02 -1.49 -0.67 0.00 0.00 178.83 177.16 1ii2 h TRP 17 N 0.83 1.17 -0.46 2.96 4.06 -0.80 -2.25 115.95 121.46 1ii2 h TRP 17 Ca 0.26 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1ii2 h TRP 17 Cb -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.83 1ii2 h TRP 17 CO -0.04 1.04 0.30 0.00 -3.56 0.00 0.00 178.44 176.17 1ii2 h ALA 18 N 0.99 0.58 -0.38 1.49 0.00 -0.52 0.67 119.26 122.09 1ii2 h ALA 18 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ii2 h ALA 18 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ii2 h ALA 18 CO 0.03 0.03 0.09 -0.07 0.00 0.00 0.00 179.25 179.34 1ii2 h LEU 19 N 0.62 0.51 0.09 0.00 3.38 -1.16 0.10 115.31 118.84 1ii2 h LEU 19 Ca 0.17 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1ii2 h LEU 19 Cb -0.07 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ii2 h LEU 19 CO -0.04 0.51 -0.70 0.50 0.09 0.00 0.00 178.44 178.80 1ii2 h LYS 20 N 0.55 0.32 0.00 1.13 3.64 -0.78 -3.40 116.57 118.02 1ii2 h LYS 20 Ca 0.13 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ii2 h LYS 20 Cb 0.21 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1ii2 h LYS 20 CO -0.00 1.18 -0.78 0.44 -2.27 0.00 0.00 179.45 178.02 1ii2 n ILE 21 N -4.18 0.00 -3.33 2.00 -5.35 0.17 -4.82 119.36 103.85 1ii2 n ILE 21 Ca -0.12 -0.16 -0.45 0.00 -0.27 0.00 0.00 62.75 61.74 1ii2 n ILE 21 Cb 0.75 0.93 -0.06 0.00 -1.74 0.00 0.00 39.64 39.53 1ii2 n ILE 21 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1ii2 s GLU 22 N -2.46 2.99 0.26 6.28 2.02 0.35 -4.97 118.70 123.18 1ii2 s GLU 22 Ca 0.05 -1.55 -0.08 0.00 0.02 0.00 0.00 54.97 53.41 1ii2 s GLU 22 Cb 0.11 -4.23 0.44 0.00 0.10 0.00 0.00 34.13 30.55 1ii2 s GLU 22 CO 0.61 -1.22 1.60 1.57 0.02 0.00 0.00 175.26 177.84 1ii2 h LYS 23 N 8.85 0.03 -0.56 1.61 5.09 -1.88 -2.01 116.57 127.70 1ii2 h LYS 23 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.45 1ii2 h LYS 23 Cb 1.10 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.43 1ii2 h LYS 23 CO 0.98 0.02 0.00 -0.25 -2.09 0.00 0.00 179.45 178.11 1ii2 n ASP 24 N -5.49 3.04 -4.82 7.07 8.00 -1.26 -4.93 116.55 118.16 1ii2 n ASP 24 Ca 0.14 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 53.21 1ii2 n ASP 24 Cb 0.49 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1ii2 n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ii2 s SER 25 N -0.96 6.99 0.22 -2.24 0.01 -0.76 -4.70 113.70 112.26 1ii2 s SER 25 Ca 0.37 1.22 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 1ii2 s SER 25 Cb 0.20 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 64.10 1ii2 s SER 25 CO 0.24 0.19 0.52 0.00 0.41 0.00 0.00 173.24 174.60 1ii2 s ARG 26 N -1.49 1.48 0.06 12.44 3.03 -0.53 -4.77 118.95 129.16 1ii2 s ARG 26 Ca 0.34 -1.02 -0.13 0.00 2.03 0.00 0.00 55.73 56.94 1ii2 s ARG 26 Cb -0.18 0.51 -0.06 0.00 -1.03 0.00 0.00 34.95 34.19 1ii2 s ARG 26 CO 0.19 -0.63 0.44 -0.51 -1.13 0.00 0.00 175.30 173.67 1ii2 s LEU 27 N -2.93 4.40 0.79 -1.89 1.43 -1.26 -0.25 118.68 118.97 1ii2 s LEU 27 Ca 0.14 0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1ii2 s LEU 27 Cb -0.01 -2.89 0.12 0.00 0.03 0.00 0.00 46.19 43.44 1ii2 s LEU 27 CO 0.02 0.22 1.11 0.42 0.23 0.00 0.00 176.35 178.35 1ii2 s THR 28 N -1.28 2.15 0.64 5.49 -4.23 -0.52 -4.90 115.64 112.98 1ii2 s THR 28 Ca 0.30 -0.25 0.38 0.00 -1.18 0.00 0.00 61.69 60.94 1ii2 s THR 28 Cb -0.15 -2.90 0.40 0.00 1.34 0.00 0.00 72.50 71.19 1ii2 s THR 28 CO 0.17 0.00 2.28 0.00 -0.54 0.00 0.00 174.62 176.53 1ii2 h ALA 29 N -0.91 1.27 -0.31 3.99 0.00 -1.34 -1.27 119.26 120.69 1ii2 h ALA 29 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ii2 h ALA 29 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ii2 h ALA 29 CO 0.50 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1ii2 n ARG 30 N -3.38 2.22 -0.24 0.00 1.74 -1.26 -4.98 116.66 110.76 1ii2 n ARG 30 Ca -0.02 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 1ii2 n ARG 30 Cb 0.12 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1ii2 n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ii2 n GLY 31 N 1.15 0.65 3.77 -0.13 0.00 -0.48 -1.72 105.19 108.43 1ii2 n GLY 31 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1ii2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 32 N -2.51 2.63 -0.51 4.61 0.00 -1.24 -3.65 121.76 121.10 1ii2 s ALA 32 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1ii2 s ALA 32 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1ii2 s ALA 32 CO 0.00 -0.92 0.67 -1.17 0.00 0.00 0.00 175.76 174.35 1ii2 s LEU 33 N -4.04 4.80 -0.20 0.00 2.96 -0.05 -1.44 118.68 120.70 1ii2 s LEU 33 Ca 0.72 -0.78 -0.23 0.00 -0.22 0.00 0.00 54.13 53.63 1ii2 s LEU 33 Cb -0.24 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1ii2 s LEU 33 CO 0.30 -0.93 0.72 0.00 -1.32 0.00 0.00 176.35 175.12 1ii2 s ALA 34 N 2.83 3.55 0.28 5.97 0.00 0.65 -0.50 121.76 134.54 1ii2 s ALA 34 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1ii2 s ALA 34 Cb -0.18 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1ii2 s ALA 34 CO 0.14 -0.65 0.18 0.14 0.00 0.00 0.00 175.76 175.56 1ii2 s VAL 35 N 2.15 0.14 0.03 0.00 -7.23 0.27 -1.46 120.40 114.30 1ii2 s VAL 35 Ca 0.32 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1ii2 s VAL 35 Cb -0.16 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1ii2 s VAL 35 CO 0.10 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.81 1ii2 s MET 36 N -3.84 0.62 0.00 4.82 0.23 -1.26 -0.43 119.30 119.44 1ii2 s MET 36 Ca 0.38 -0.58 0.25 0.00 -1.03 0.00 0.00 55.69 54.71 1ii2 s MET 36 Cb 0.05 -0.53 0.48 0.00 -1.53 0.00 0.00 34.83 33.30 1ii2 s MET 36 CO 0.18 0.13 1.41 -1.13 -2.03 0.00 0.00 175.02 173.57 1ii2 n SER 37 N 2.06 1.91 0.00 -1.18 3.41 -1.26 -4.92 113.62 113.64 1ii2 n SER 37 Ca -0.18 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1ii2 n SER 37 Cb 0.56 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1ii2 n SER 37 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ii2 n TYR 38 N 0.22 0.00 -0.39 7.33 4.02 -1.26 -4.10 117.16 122.98 1ii2 n TYR 38 Ca 0.13 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.93 1ii2 n TYR 38 Cb 0.45 0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.70 1ii2 n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ii2 n ALA 39 N 10.48 -0.53 -2.65 -0.72 0.00 -1.26 -4.22 120.51 121.61 1ii2 n ALA 39 Ca 0.00 0.83 -0.39 0.00 0.00 0.00 0.00 53.44 53.88 1ii2 n ALA 39 Cb 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1ii2 n ALA 39 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ii2 s LYS 40 N -5.54 4.16 -0.11 0.00 -0.14 -1.26 -4.91 119.74 111.95 1ii2 s LYS 40 Ca -0.12 0.37 0.16 0.00 -1.36 0.00 0.00 55.97 55.02 1ii2 s LYS 40 Cb 0.12 -3.58 0.24 0.00 -1.68 0.00 0.00 37.83 32.93 1ii2 s LYS 40 CO 0.60 -0.18 1.13 0.25 -0.76 0.00 0.00 175.35 176.38 1ii2 n THR 41 N 4.66 1.73 -3.83 2.17 -2.24 -1.26 -4.08 114.28 111.43 1ii2 n THR 41 Ca -0.05 -2.04 -0.07 0.00 -2.27 0.00 0.00 64.05 59.62 1ii2 n THR 41 Cb 0.50 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1ii2 n THR 41 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ii2 s GLY 42 N -2.53 0.31 0.81 3.38 0.00 -1.26 -4.75 107.32 103.27 1ii2 s GLY 42 Ca 0.26 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1ii2 s GLY 42 CO 0.03 0.70 1.09 0.50 0.00 0.00 0.00 173.10 175.42 1ii2 s ARG 43 N -2.17 1.99 -0.61 2.90 0.52 -1.26 -4.83 118.95 115.50 1ii2 s ARG 43 Ca 0.18 1.07 0.06 0.00 -0.52 0.00 0.00 55.73 56.52 1ii2 s ARG 43 Cb -0.04 -1.87 0.25 0.00 0.52 0.00 0.00 34.95 33.80 1ii2 s ARG 43 CO 0.10 -1.80 0.71 0.43 0.02 0.00 0.00 175.30 174.75 1ii2 n SER 44 N -3.62 3.26 -0.17 0.23 7.64 -1.26 -4.95 113.62 114.76 1ii2 n SER 44 Ca 0.08 -3.34 0.22 0.00 1.01 0.00 0.00 58.87 56.85 1ii2 n SER 44 Cb 0.54 -0.67 0.61 0.00 -1.01 0.00 0.00 64.21 63.68 1ii2 n SER 44 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ii2 h PRO 45 N 4.21 0.20 0.00 1.43 0.13 -1.97 0.65 132.00 136.65 1ii2 h PRO 45 Ca 0.18 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1ii2 h PRO 45 Cb 0.69 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ii2 h PRO 45 CO 0.78 0.13 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.53 1ii2 h LEU 46 N 0.20 0.00 -2.36 1.56 3.38 -1.93 -2.56 115.31 113.60 1ii2 h LEU 46 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ii2 h LEU 46 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ii2 h LEU 46 CO -0.08 0.08 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1ii2 n ASP 47 N -3.39 3.24 -4.76 -0.43 8.00 0.21 -4.90 116.55 114.52 1ii2 n ASP 47 Ca -0.01 -1.93 -0.40 0.00 0.71 0.00 0.00 54.79 53.16 1ii2 n ASP 47 Cb 0.25 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1ii2 n ASP 47 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ii2 s LYS 48 N -1.28 4.79 0.02 -1.24 2.20 -0.97 -2.03 119.74 121.23 1ii2 s LYS 48 Ca 0.34 1.41 -0.01 0.00 -0.36 0.00 0.00 55.97 57.34 1ii2 s LYS 48 Cb 0.20 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1ii2 s LYS 48 CO 0.27 0.53 -0.00 1.03 -0.36 0.00 0.00 175.35 176.82 1ii2 s ARG 49 N -1.18 0.37 -0.15 4.03 1.81 -0.03 -4.44 118.95 119.36 1ii2 s ARG 49 Ca 0.40 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.78 1ii2 s ARG 49 Cb -0.25 0.14 0.01 0.00 -0.45 0.00 0.00 34.95 34.40 1ii2 s ARG 49 CO 0.31 -0.07 -0.21 0.42 -0.68 0.00 0.00 175.30 175.06 1ii2 s ILE 50 N -1.74 2.07 0.27 1.52 -1.09 -0.32 -1.29 121.20 120.62 1ii2 s ILE 50 Ca -0.13 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.02 1ii2 s ILE 50 Cb -0.08 -1.83 -0.10 0.00 -1.58 0.00 0.00 42.46 38.87 1ii2 s ILE 50 CO -0.02 0.55 1.48 -0.69 -1.23 0.00 0.00 174.94 175.03 1ii2 s VAL 51 N 0.94 2.47 -1.32 2.92 1.01 -0.17 -2.56 120.40 123.69 1ii2 s VAL 51 Ca -0.04 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1ii2 s VAL 51 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1ii2 s VAL 51 CO -0.05 0.07 2.07 -0.67 0.00 0.00 0.00 175.10 176.52 1ii2 n ASP 52 N 2.19 3.89 -4.90 3.32 2.03 -0.05 -4.78 116.55 118.25 1ii2 n ASP 52 Ca 0.07 -2.83 -0.34 0.00 0.52 0.00 0.00 54.79 52.21 1ii2 n ASP 52 Cb 0.39 -1.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.13 1ii2 n ASP 52 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ii2 s THR 53 N 3.99 5.44 0.43 5.18 -4.23 -1.26 -4.74 115.64 120.44 1ii2 s THR 53 Ca 0.51 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 61.13 1ii2 s THR 53 Cb 0.11 -3.51 0.36 0.00 1.34 0.00 0.00 72.50 70.80 1ii2 s THR 53 CO -0.02 0.39 1.91 0.44 -0.54 0.00 0.00 174.62 176.81 1ii2 h ASP 54 N 4.09 0.39 0.05 3.99 3.32 -2.00 -1.24 116.42 125.02 1ii2 h ASP 54 Ca -0.50 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ii2 h ASP 54 Cb 1.20 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ii2 h ASP 54 CO 0.66 0.20 -0.04 -2.24 -1.72 0.00 0.00 179.24 176.11 1ii2 h ASP 55 N 0.42 0.00 0.00 6.45 2.03 -1.98 -3.31 116.42 120.02 1ii2 h ASP 55 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1ii2 h ASP 55 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1ii2 h ASP 55 CO -0.12 0.04 -0.58 1.33 -1.03 0.00 0.00 179.24 178.87 1ii2 n VAL 56 N -4.22 0.00 -0.34 4.15 0.24 -0.92 -4.83 118.33 112.40 1ii2 n VAL 56 Ca -0.03 -0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.24 1ii2 n VAL 56 Cb 0.12 0.66 0.28 0.00 -1.47 0.00 0.00 33.84 33.43 1ii2 n VAL 56 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ii2 h ARG 57 N 0.00 0.01 -0.02 7.34 2.43 -1.33 0.46 114.38 123.28 1ii2 h ARG 57 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1ii2 h ARG 57 Cb 0.00 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ii2 h ARG 57 CO 0.00 0.01 -0.29 0.93 -1.51 0.00 0.00 179.97 179.11 1ii2 h GLU 58 N 0.01 0.03 0.00 0.20 5.08 -1.87 -3.20 114.58 114.82 1ii2 h GLU 58 Ca 0.59 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 1ii2 h GLU 58 Cb 1.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ii2 h GLU 58 CO -0.92 0.32 -1.38 0.09 -1.00 0.00 0.00 179.01 176.12 1ii2 n ASN 59 N -4.18 0.56 -4.72 1.42 3.02 0.08 -4.92 115.26 106.52 1ii2 n ASN 59 Ca -0.02 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 1ii2 n ASN 59 Cb 0.34 0.96 -0.03 0.00 -0.61 0.00 0.00 39.78 40.44 1ii2 n ASN 59 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ii2 s VAL 60 N -3.38 3.45 -1.17 2.41 1.01 -0.78 -4.30 120.40 117.64 1ii2 s VAL 60 Ca -0.03 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 1ii2 s VAL 60 Cb 0.11 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.92 1ii2 s VAL 60 CO 0.83 0.09 1.51 -0.62 0.00 0.00 0.00 175.10 176.91 1ii2 s ASP 61 N 1.01 6.81 0.26 3.32 2.15 0.74 -4.95 116.67 126.02 1ii2 s ASP 61 Ca 0.63 -2.35 -0.30 0.00 0.43 0.00 0.00 52.55 50.96 1ii2 s ASP 61 Cb -0.35 -2.50 -0.10 0.00 -0.30 0.00 0.00 42.92 39.67 1ii2 s ASP 61 CO 0.31 -1.10 1.39 0.26 -0.17 0.00 0.00 175.17 175.85 1ii2 s TRP 62 N 3.43 3.06 0.00 -5.34 0.52 -1.26 -4.32 118.94 115.03 1ii2 s TRP 62 Ca 0.46 1.15 0.00 0.00 0.02 0.00 0.00 56.10 57.74 1ii2 s TRP 62 Cb 0.00 -3.75 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 1ii2 s TRP 62 CO -0.00 -2.35 0.00 0.41 0.02 0.00 0.00 176.95 175.03 1ii2 n GLY 63 N 1.87 -0.83 0.20 0.98 0.00 -0.17 -4.93 105.19 102.31 1ii2 n GLY 63 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1ii2 n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ii2 h LYS 64 N 0.00 0.23 0.00 1.61 3.64 -2.02 -3.34 116.57 116.69 1ii2 h LYS 64 Ca 0.00 -0.10 -0.23 0.00 -1.27 0.00 0.00 60.65 59.05 1ii2 h LYS 64 Cb 0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1ii2 h LYS 64 CO 0.00 0.58 -1.29 0.28 -2.27 0.00 0.00 179.45 176.75 1ii2 n VAL 65 N -4.05 1.52 -3.26 2.00 0.31 -1.26 -4.83 118.33 108.76 1ii2 n VAL 65 Ca -0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1ii2 n VAL 65 Cb 0.45 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.23 1ii2 n VAL 65 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ii2 s ASN 66 N -6.78 6.25 -0.09 4.52 0.01 -1.25 -4.87 114.94 112.72 1ii2 s ASN 66 Ca -0.28 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.49 1ii2 s ASN 66 Cb 0.06 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 1ii2 s ASN 66 CO 0.54 -0.58 -0.23 -0.04 -1.51 0.00 0.00 177.10 175.28 1ii2 s MET 67 N 2.34 2.88 0.54 -0.60 -1.94 -1.26 -1.00 119.30 120.25 1ii2 s MET 67 Ca 0.16 -0.86 -0.21 0.00 -1.71 0.00 0.00 55.69 53.07 1ii2 s MET 67 Cb -0.16 -2.28 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1ii2 s MET 67 CO 0.15 0.28 1.20 0.15 -0.01 0.00 0.00 175.02 176.79 1ii2 s LYS 68 N 0.11 3.29 -0.02 2.03 1.02 -1.26 -1.17 119.74 123.74 1ii2 s LYS 68 Ca -0.11 1.84 -0.00 0.00 0.02 0.00 0.00 55.97 57.71 1ii2 s LYS 68 Cb -0.16 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1ii2 s LYS 68 CO 0.06 -0.95 0.04 -1.17 -0.92 0.00 0.00 175.35 172.41 1ii2 s LEU 69 N -3.64 1.06 0.81 3.17 2.96 -1.06 -4.81 118.68 117.18 1ii2 s LEU 69 Ca 0.72 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 1ii2 s LEU 69 Cb -0.30 -0.04 0.09 0.00 0.50 0.00 0.00 46.19 46.44 1ii2 s LEU 69 CO 0.35 -0.13 1.12 -0.94 -1.32 0.00 0.00 176.35 175.43 1ii2 s SER 70 N 1.06 3.91 0.30 3.68 1.04 -1.26 -0.87 113.70 121.56 1ii2 s SER 70 Ca -0.09 2.03 0.05 0.00 0.48 0.00 0.00 55.95 58.42 1ii2 s SER 70 Cb -0.13 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.91 1ii2 s SER 70 CO -0.03 -2.44 1.73 -0.33 0.98 0.00 0.00 173.24 173.15 1ii2 h GLU 71 N -1.25 0.36 -0.57 4.02 5.08 -1.96 -1.45 114.58 118.80 1ii2 h GLU 71 Ca -0.44 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 1ii2 h GLU 71 Cb 1.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1ii2 h GLU 71 CO 0.48 0.63 0.13 1.49 -1.00 0.00 0.00 179.01 180.74 1ii2 h GLU 72 N 0.32 0.92 -0.32 2.33 4.81 -1.99 -0.30 114.58 120.35 1ii2 h GLU 72 Ca 0.04 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1ii2 h GLU 72 Cb 0.70 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1ii2 h GLU 72 CO 0.05 0.86 -0.39 0.77 -0.73 0.00 0.00 179.01 179.57 1ii2 h SER 73 N 0.82 0.80 -0.57 1.04 0.02 -1.80 -2.16 113.55 111.69 1ii2 h SER 73 Ca 0.18 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1ii2 h SER 73 Cb 0.36 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1ii2 h SER 73 CO 0.00 1.09 0.26 0.15 -1.14 0.00 0.00 176.83 177.19 1ii2 h PHE 74 N 0.62 0.84 -0.79 3.45 3.57 -1.03 -0.79 116.94 122.80 1ii2 h PHE 74 Ca 0.05 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1ii2 h PHE 74 Cb 0.93 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1ii2 h PHE 74 CO 0.05 0.66 0.52 0.00 -2.23 0.00 0.00 178.31 177.31 1ii2 h ALA 75 N 1.10 1.61 -0.32 2.41 0.00 -0.87 0.11 119.26 123.31 1ii2 h ALA 75 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ii2 h ALA 75 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ii2 h ALA 75 CO -0.02 0.27 -0.29 0.00 0.00 0.00 0.00 179.25 179.21 1ii2 h ARG 76 N 0.88 0.76 -0.12 0.00 3.08 -0.63 -1.78 114.38 116.58 1ii2 h ARG 76 Ca 0.34 -0.39 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 1ii2 h ARG 76 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ii2 h ARG 76 CO -0.12 1.02 -0.58 -0.39 -1.07 0.00 0.00 179.97 178.83 1ii2 h VAL 77 N 0.52 1.36 -0.52 2.04 -1.51 -0.63 -2.47 116.25 115.03 1ii2 h VAL 77 Ca 0.05 -1.89 -0.03 0.00 -1.23 0.00 0.00 66.70 63.60 1ii2 h VAL 77 Cb 0.87 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 1ii2 h VAL 77 CO 0.07 0.57 0.20 -0.09 -1.23 0.00 0.00 177.57 177.09 1ii2 h ARG 78 N 0.28 0.79 -0.55 5.19 2.43 -0.75 -0.74 114.38 121.03 1ii2 h ARG 78 Ca -0.00 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1ii2 h ARG 78 Cb 1.10 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1ii2 h ARG 78 CO 0.10 0.70 0.34 -0.22 -1.51 0.00 0.00 179.97 179.38 1ii2 h LYS 79 N 0.71 0.65 -0.57 0.20 3.64 -1.19 0.25 116.57 120.25 1ii2 h LYS 79 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ii2 h LYS 79 Cb 0.22 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1ii2 h LYS 79 CO -0.01 0.43 0.36 0.82 -2.27 0.00 0.00 179.45 178.78 1ii2 h ILE 80 N 0.67 1.16 -0.24 2.00 2.04 -1.11 -0.96 117.51 121.07 1ii2 h ILE 80 Ca 0.22 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1ii2 h ILE 80 Cb 0.01 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1ii2 h ILE 80 CO -0.09 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.27 1ii2 h ALA 81 N 1.19 0.32 -0.57 1.87 0.00 -0.36 -2.18 119.26 119.52 1ii2 h ALA 81 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ii2 h ALA 81 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ii2 h ALA 81 CO -0.04 -0.02 -0.02 0.87 0.00 0.00 0.00 179.25 180.04 1ii2 h LYS 82 N 0.21 1.00 -0.16 0.00 1.57 -0.39 -1.52 116.57 117.29 1ii2 h LYS 82 Ca 0.08 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1ii2 h LYS 82 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ii2 h LYS 82 CO 0.00 1.00 -0.32 0.93 -0.57 0.00 0.00 179.45 180.49 1ii2 h GLU 83 N 0.92 0.32 -0.11 3.15 5.08 -1.16 0.11 114.58 122.88 1ii2 h GLU 83 Ca 0.16 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1ii2 h GLU 83 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ii2 h GLU 83 CO 0.03 0.61 -0.09 0.35 -1.00 0.00 0.00 179.01 178.91 1ii2 h PHE 84 N 0.28 0.31 -0.64 4.33 3.57 -1.19 -2.48 116.94 121.11 1ii2 h PHE 84 Ca 0.04 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1ii2 h PHE 84 Cb 0.71 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1ii2 h PHE 84 CO 0.02 0.66 0.35 -0.07 -2.23 0.00 0.00 178.31 177.03 1ii2 h LEU 85 N -0.12 0.81 0.00 0.59 3.38 -1.08 -2.41 115.31 116.48 1ii2 h LEU 85 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ii2 h LEU 85 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ii2 h LEU 85 CO 0.02 0.67 0.00 0.47 0.09 0.00 0.00 178.44 179.70 1ii2 n ASP 86 N -4.53 0.00 -0.43 -0.43 8.00 0.35 -3.00 116.55 116.51 1ii2 n ASP 86 Ca 0.05 0.05 0.06 0.00 0.71 0.00 0.00 54.79 55.65 1ii2 n ASP 86 Cb 0.09 -0.31 0.14 0.00 -0.02 0.00 0.00 41.12 41.02 1ii2 n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ii2 n THR 87 N -1.31 1.47 -2.80 -3.53 -2.24 -0.92 -4.29 114.28 100.65 1ii2 n THR 87 Ca 0.10 -1.45 -0.28 0.00 -2.27 0.00 0.00 64.05 60.15 1ii2 n THR 87 Cb 0.18 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1ii2 n THR 87 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ii2 s ARG 88 N -1.78 3.59 0.24 -0.78 1.81 -1.14 -4.98 118.95 115.90 1ii2 s ARG 88 Ca 0.23 0.20 0.06 0.00 -1.72 0.00 0.00 55.73 54.50 1ii2 s ARG 88 Cb 0.17 -2.43 0.25 0.00 -0.45 0.00 0.00 34.95 32.49 1ii2 s ARG 88 CO 0.08 -0.11 1.55 0.93 -0.68 0.00 0.00 175.30 177.07 1ii2 h GLU 89 N 0.61 0.17 -4.59 3.54 5.08 -1.91 -3.32 114.58 114.15 1ii2 h GLU 89 Ca -0.47 -0.13 -0.41 0.00 -1.00 0.00 0.00 59.36 57.35 1ii2 h GLU 89 Cb 1.20 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.17 1ii2 h GLU 89 CO 0.62 0.75 -0.78 -1.01 -1.00 0.00 0.00 179.01 177.59 1ii2 s HIS 90 N -3.66 0.87 -0.05 4.33 3.76 -1.26 -0.80 115.29 118.49 1ii2 s HIS 90 Ca -0.03 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1ii2 s HIS 90 Cb 0.12 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.20 1ii2 s HIS 90 CO 0.79 -0.07 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.28 1ii2 s LEU 91 N 0.09 1.85 -0.10 0.89 2.96 -0.28 -4.78 118.68 119.31 1ii2 s LEU 91 Ca -0.01 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ii2 s LEU 91 Cb -0.07 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1ii2 s LEU 91 CO 0.00 0.12 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.67 1ii2 s PHE 92 N 0.23 2.81 -0.08 5.38 0.08 -0.33 -0.10 117.98 125.96 1ii2 s PHE 92 Ca -0.07 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1ii2 s PHE 92 Cb -0.13 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1ii2 s PHE 92 CO 0.03 0.00 -0.24 0.08 -0.10 0.00 0.00 175.22 174.99 1ii2 s VAL 93 N -0.15 2.08 -0.19 -0.44 1.01 0.41 -0.78 120.40 122.35 1ii2 s VAL 93 Ca -0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 1ii2 s VAL 93 Cb -0.13 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ii2 s VAL 93 CO 0.03 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1ii2 s VAL 94 N 0.05 1.31 -0.21 2.92 1.01 0.10 -0.57 120.40 125.01 1ii2 s VAL 94 Ca -0.10 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1ii2 s VAL 94 Cb -0.16 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1ii2 s VAL 94 CO 0.06 0.10 0.19 -1.81 0.00 0.00 0.00 175.10 173.63 1ii2 s ASP 95 N 1.54 6.23 0.34 3.32 1.01 -1.26 -0.59 116.67 127.25 1ii2 s ASP 95 Ca -0.01 0.25 -0.10 0.00 0.71 0.00 0.00 52.55 53.41 1ii2 s ASP 95 Cb -0.16 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1ii2 s ASP 95 CO -0.08 0.11 0.60 0.00 0.21 0.00 0.00 175.17 176.01 1ii2 s PHE 97 N -2.99 2.56 -0.31 0.00 0.08 -0.26 -0.10 117.98 116.97 1ii2 s PHE 97 Ca 0.23 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.95 1ii2 s PHE 97 Cb -0.02 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1ii2 s PHE 97 CO 0.15 0.24 0.09 0.00 -0.10 0.00 0.00 175.22 175.60 1ii2 s ALA 98 N -0.90 3.08 0.00 5.36 0.00 -0.16 -1.10 121.76 128.03 1ii2 s ALA 98 Ca 0.14 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1ii2 s ALA 98 Cb -0.10 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1ii2 s ALA 98 CO 0.05 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1ii2 n GLY 99 N 4.87 2.77 0.12 0.00 0.00 0.31 -1.46 105.19 111.80 1ii2 n GLY 99 Ca -0.14 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.56 1ii2 n GLY 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ii2 h HIS 100 N 0.00 0.00 -3.56 1.61 -0.00 -1.73 -3.44 115.15 108.04 1ii2 h HIS 100 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.76 1ii2 h HIS 100 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 27.30 1ii2 h HIS 100 CO 0.00 0.00 0.42 0.34 -0.00 0.00 0.00 177.93 178.69 1ii2 s ASP 101 N -5.27 6.53 0.56 2.45 -1.08 -1.26 -4.88 116.67 113.72 1ii2 s ASP 101 Ca 0.02 0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.56 1ii2 s ASP 101 Cb 0.10 -2.41 1.51 0.00 -1.46 0.00 0.00 42.92 40.66 1ii2 s ASP 101 CO 0.76 -0.81 2.09 -0.33 0.52 0.00 0.00 175.17 177.40 1ii2 h GLU 102 N 8.64 0.00 0.00 4.34 5.08 -1.96 -0.60 114.58 130.08 1ii2 h GLU 102 Ca -0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1ii2 h GLU 102 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ii2 h GLU 102 CO 0.94 0.00 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.70 1ii2 h ARG 103 N 0.00 0.00 0.00 2.33 2.43 -1.98 -3.30 114.38 113.85 1ii2 h ARG 103 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ii2 h ARG 103 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1ii2 h ARG 103 CO -0.00 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 179.28 1ii2 n TYR 104 N -3.33 0.00 -1.54 2.20 4.02 -0.68 -5.08 117.16 112.75 1ii2 n TYR 104 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 1ii2 n TYR 104 Cb 0.39 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1ii2 n TYR 104 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1ii2 s ARG 105 N -0.33 2.47 0.01 -0.72 1.70 -0.32 -4.98 118.95 116.78 1ii2 s ARG 105 Ca 0.00 1.42 0.04 0.00 -0.47 0.00 0.00 55.73 56.72 1ii2 s ARG 105 Cb 0.00 -1.91 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 1ii2 s ARG 105 CO 0.00 -1.51 -0.10 -0.51 -1.08 0.00 0.00 175.30 172.10 1ii2 s LEU 106 N -5.23 2.98 -0.19 -1.89 1.43 -0.53 -4.94 118.68 110.31 1ii2 s LEU 106 Ca 0.67 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.36 1ii2 s LEU 106 Cb -0.21 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1ii2 s LEU 106 CO 0.46 0.28 0.54 -0.54 0.23 0.00 0.00 176.35 177.33 1ii2 s LYS 107 N -1.34 4.21 -0.03 1.70 1.02 -1.26 -0.99 119.74 123.06 1ii2 s LYS 107 Ca 0.16 0.47 0.07 0.00 0.02 0.00 0.00 55.97 56.69 1ii2 s LYS 107 Cb -0.11 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 1ii2 s LYS 107 CO 0.06 -0.14 -0.23 0.08 -0.92 0.00 0.00 175.35 174.20 1ii2 s VAL 108 N 1.61 1.83 -0.14 3.17 1.01 0.86 0.09 120.40 128.83 1ii2 s VAL 108 Ca 0.26 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1ii2 s VAL 108 Cb -0.16 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1ii2 s VAL 108 CO 0.10 0.52 -0.18 -0.60 0.00 0.00 0.00 175.10 174.94 1ii2 s ARG 109 N -0.42 2.67 -0.12 2.72 3.52 -0.05 -0.79 118.95 126.48 1ii2 s ARG 109 Ca 0.05 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1ii2 s ARG 109 Cb -0.10 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.00 1ii2 s ARG 109 CO 0.00 -0.12 -0.10 0.08 -0.81 0.00 0.00 175.30 174.35 1ii2 s VAL 110 N 1.11 3.31 -0.19 7.11 1.01 0.24 -0.55 120.40 132.44 1ii2 s VAL 110 Ca -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1ii2 s VAL 110 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ii2 s VAL 110 CO -0.06 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.20 1ii2 s PHE 111 N 0.14 3.04 0.15 5.22 0.08 -0.25 -0.72 117.98 125.63 1ii2 s PHE 111 Ca -0.05 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1ii2 s PHE 111 Cb -0.15 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1ii2 s PHE 111 CO 0.04 -0.17 -0.04 0.95 -0.10 0.00 0.00 175.22 175.90 1ii2 s THR 112 N 0.79 0.82 -0.09 0.64 -4.23 0.04 -1.12 115.64 112.49 1ii2 s THR 112 Ca -0.00 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1ii2 s THR 112 Cb -0.14 -1.94 -0.17 0.00 1.34 0.00 0.00 72.50 71.59 1ii2 s THR 112 CO 0.02 -0.65 0.11 0.35 -0.54 0.00 0.00 174.62 173.91 1ii2 n THR 113 N -0.18 0.60 -3.35 3.99 -2.24 -1.26 -1.18 114.28 110.65 1ii2 n THR 113 Ca -0.09 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 1ii2 n THR 113 Cb 0.62 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 1ii2 n THR 113 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ii2 s ARG 114 N -2.47 4.20 0.36 -0.78 0.52 -1.26 -4.86 118.95 114.67 1ii2 s ARG 114 Ca -0.06 0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 1ii2 s ARG 114 Cb 0.05 -3.52 0.76 0.00 0.52 0.00 0.00 34.95 32.75 1ii2 s ARG 114 CO 0.51 -0.03 1.96 -1.35 0.02 0.00 0.00 175.30 176.41 1ii2 h PRO 115 N 7.27 0.71 0.00 3.54 0.11 -1.90 -1.66 132.00 140.08 1ii2 h PRO 115 Ca -0.36 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1ii2 h PRO 115 Cb 1.16 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1ii2 h PRO 115 CO 0.73 0.47 -0.18 0.10 -0.21 0.00 0.00 178.00 178.91 1ii2 h TYR 116 N 0.74 0.00 -0.08 0.65 -0.00 -1.93 -0.79 116.97 115.55 1ii2 h TYR 116 Ca 0.32 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.90 1ii2 h TYR 116 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.01 1ii2 h TYR 116 CO -0.00 0.18 -0.61 0.45 -0.00 0.00 0.00 178.16 178.18 1ii2 h HIS 117 N 0.00 0.36 -0.21 0.10 3.86 -1.72 -0.13 115.15 117.41 1ii2 h HIS 117 Ca -0.00 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 58.96 1ii2 h HIS 117 Cb 0.51 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1ii2 h HIS 117 CO 0.00 0.81 -0.30 0.00 0.86 0.00 0.00 177.93 179.31 1ii2 h ALA 118 N 1.15 0.32 -0.74 2.45 0.00 -1.18 -2.13 119.26 119.14 1ii2 h ALA 118 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1ii2 h ALA 118 Cb 1.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1ii2 h ALA 118 CO 0.10 0.34 0.35 1.25 0.00 0.00 0.00 179.25 181.28 1ii2 h LEU 119 N 0.25 0.98 -0.27 0.00 5.85 -1.07 -0.26 115.31 120.80 1ii2 h LEU 119 Ca 0.02 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1ii2 h LEU 119 Cb 0.87 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1ii2 h LEU 119 CO 0.07 0.84 -0.04 0.15 -0.34 0.00 0.00 178.44 179.12 1ii2 h PHE 120 N 1.05 -0.10 -0.04 1.25 3.57 -0.93 0.94 116.94 122.68 1ii2 h PHE 120 Ca 0.25 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1ii2 h PHE 120 Cb 0.13 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ii2 h PHE 120 CO 0.01 -0.09 -0.49 0.52 -2.23 0.00 0.00 178.31 176.03 1ii2 h MET 121 N 0.03 0.10 -0.56 1.11 2.86 -1.01 0.62 114.93 118.07 1ii2 h MET 121 Ca 0.13 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1ii2 h MET 121 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1ii2 h MET 121 CO -0.25 0.57 0.02 -0.09 1.06 0.00 0.00 176.91 178.21 1ii2 h ARG 122 N 0.08 0.95 0.05 1.72 2.43 -0.40 -1.62 114.38 117.59 1ii2 h ARG 122 Ca 0.00 -0.27 -0.23 0.00 -0.81 0.00 0.00 59.98 58.67 1ii2 h ARG 122 Cb 0.89 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1ii2 h ARG 122 CO 0.07 0.93 -0.91 -0.44 -1.51 0.00 0.00 179.97 178.10 1ii2 h ASP 123 N 0.88 0.72 1.93 -3.80 5.19 -0.41 -3.38 116.42 117.55 1ii2 h ASP 123 Ca 0.17 -0.79 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1ii2 h ASP 123 Cb 0.49 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1ii2 h ASP 123 CO 0.02 1.43 -0.06 0.24 -3.12 0.00 0.00 179.24 177.75 1ii2 h MET 124 N 0.10 0.00 0.00 3.56 2.86 0.30 -2.67 114.93 119.09 1ii2 h MET 124 Ca -0.13 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.90 1ii2 h MET 124 Cb 1.61 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.17 1ii2 h MET 124 CO 0.18 0.00 -0.42 1.28 1.06 0.00 0.00 176.91 179.01 1ii2 n LEU 125 N -3.05 0.00 -4.68 1.22 4.77 -0.62 -0.76 117.00 113.88 1ii2 n LEU 125 Ca 0.04 -2.98 -0.40 0.00 -0.03 0.00 0.00 56.01 52.64 1ii2 n LEU 125 Cb 0.53 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1ii2 n LEU 125 CO 0.34 -0.46 0.44 -0.63 -1.33 0.00 0.00 177.39 175.75 1ii2 s ILE 126 N -2.72 5.00 -0.10 -0.08 1.09 -0.26 -3.98 121.20 120.15 1ii2 s ILE 126 Ca 0.06 1.38 -0.30 0.00 -1.10 0.00 0.00 60.65 60.69 1ii2 s ILE 126 Cb -0.01 -4.02 -0.02 0.00 -1.06 0.00 0.00 42.46 37.35 1ii2 s ILE 126 CO 0.04 0.14 1.17 -0.69 -0.10 0.00 0.00 174.94 175.50 1ii2 s VAL 127 N 1.56 4.38 0.80 2.92 1.01 -1.26 -1.10 120.40 128.71 1ii2 s VAL 127 Ca 0.34 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 1ii2 s VAL 127 Cb -0.17 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.20 1ii2 s VAL 127 CO 0.13 -0.04 1.09 -2.84 0.00 0.00 0.00 175.10 173.44 1ii2 s PRO 128 N 2.51 2.05 0.77 2.72 0.02 -1.26 -4.96 135.00 136.85 1ii2 s PRO 128 Ca 0.53 1.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.44 1ii2 s PRO 128 Cb -0.22 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1ii2 s PRO 128 CO 0.19 -1.74 1.11 0.95 -0.33 0.00 0.00 177.00 177.18 1ii2 s THR 129 N -2.95 3.07 0.32 0.99 -4.23 -1.26 -4.81 115.64 106.77 1ii2 s THR 129 Ca 0.61 0.35 0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1ii2 s THR 129 Cb -0.17 -3.22 0.29 0.00 1.34 0.00 0.00 72.50 70.74 1ii2 s THR 129 CO 0.56 -0.45 1.92 -0.65 -0.54 0.00 0.00 174.62 175.46 1ii2 h PRO 130 N -0.94 0.89 -0.55 3.99 0.11 -1.99 -0.48 132.00 133.03 1ii2 h PRO 130 Ca -0.46 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1ii2 h PRO 130 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1ii2 h PRO 130 CO 0.62 0.59 -0.04 1.49 -0.21 0.00 0.00 178.00 180.45 1ii2 h GLU 131 N 0.92 1.00 -0.37 1.05 4.22 -1.99 -1.47 114.58 117.95 1ii2 h GLU 131 Ca 0.37 -0.34 -0.08 0.00 0.08 0.00 0.00 59.36 59.39 1ii2 h GLU 131 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ii2 h GLU 131 CO -0.14 1.02 -0.12 0.93 -2.18 0.00 0.00 179.01 178.52 1ii2 h GLU 132 N 0.88 0.65 -0.24 1.92 5.08 -1.64 -2.02 114.58 119.21 1ii2 h GLU 132 Ca 0.15 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ii2 h GLU 132 Cb 0.60 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ii2 h GLU 132 CO 0.04 0.75 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.70 1ii2 h LEU 133 N 0.59 0.44 -2.37 1.33 3.38 -0.86 0.21 115.31 118.03 1ii2 h LEU 133 Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1ii2 h LEU 133 Cb 0.56 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ii2 h LEU 133 CO 0.03 0.68 -0.04 0.00 0.09 0.00 0.00 178.44 179.20 1ii2 h ALA 134 N 0.78 1.30 -0.01 1.53 0.00 -1.05 -2.23 119.26 119.59 1ii2 h ALA 134 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ii2 h ALA 134 Cb 0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1ii2 h ALA 134 CO 0.02 0.05 -0.58 0.25 0.00 0.00 0.00 179.25 178.98 1ii2 n THR 135 N -3.57 1.91 0.06 0.00 -2.24 -0.78 -4.81 114.28 104.84 1ii2 n THR 135 Ca -0.02 -2.95 0.08 0.00 -2.27 0.00 0.00 64.05 58.88 1ii2 n THR 135 Cb 0.14 -0.08 0.52 0.00 -2.10 0.00 0.00 70.33 68.81 1ii2 n THR 135 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ii2 h PHE 136 N 1.02 0.32 0.00 4.78 3.04 0.05 -3.48 116.94 122.68 1ii2 h PHE 136 Ca -0.03 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1ii2 h PHE 136 Cb 1.13 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1ii2 h PHE 136 CO 0.68 0.19 0.00 0.41 -2.02 0.00 0.00 178.31 177.57 1ii2 n GLY 137 N -1.51 2.45 3.67 2.40 0.00 -1.26 -4.57 105.19 106.38 1ii2 n GLY 137 Ca 0.03 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1ii2 n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ii2 s GLU 138 N 0.00 4.22 0.71 1.61 2.12 -1.26 -5.06 118.70 121.04 1ii2 s GLU 138 Ca 0.00 0.44 -0.14 0.00 0.36 0.00 0.00 54.97 55.64 1ii2 s GLU 138 Cb 0.00 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1ii2 s GLU 138 CO 0.00 -0.10 1.12 -1.25 -0.54 0.00 0.00 175.26 174.49 1ii2 s PRO 139 N 1.47 2.49 -0.00 4.30 0.04 -1.26 -4.94 135.00 137.09 1ii2 s PRO 139 Ca 0.25 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.47 1ii2 s PRO 139 Cb -0.15 -1.91 -0.23 0.00 0.04 0.00 0.00 34.50 32.24 1ii2 s PRO 139 CO 0.10 -1.49 1.09 -0.44 0.04 0.00 0.00 177.00 176.30 1ii2 h ASP 140 N -0.42 0.50 -4.30 6.66 3.32 -0.72 -3.46 116.42 118.00 1ii2 h ASP 140 Ca -0.46 -0.76 -0.49 0.00 0.02 0.00 0.00 57.03 55.34 1ii2 h ASP 140 Cb 1.25 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.40 1ii2 h ASP 140 CO 0.52 1.20 -0.81 -0.31 -1.72 0.00 0.00 179.24 178.12 1ii2 s TYR 141 N -3.21 1.43 -0.07 4.55 2.02 -0.65 -4.79 117.35 116.64 1ii2 s TYR 141 Ca -0.13 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1ii2 s TYR 141 Cb 0.03 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 1ii2 s TYR 141 CO 0.81 0.06 -0.17 0.08 -1.57 0.00 0.00 175.55 174.76 1ii2 s VAL 142 N -0.84 1.49 -0.22 0.71 1.01 -0.95 -0.87 120.40 120.73 1ii2 s VAL 142 Ca 0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1ii2 s VAL 142 Cb -0.08 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1ii2 s VAL 142 CO 0.01 0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 174.91 1ii2 s ILE 143 N 0.37 3.72 -0.63 2.22 1.01 0.29 -1.19 121.20 126.98 1ii2 s ILE 143 Ca -0.12 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1ii2 s ILE 143 Cb -0.15 -2.70 0.16 0.00 0.01 0.00 0.00 42.46 39.78 1ii2 s ILE 143 CO 0.05 0.40 0.56 -0.31 0.00 0.00 0.00 174.94 175.65 1ii2 s TYR 144 N 1.40 3.46 -1.00 3.97 1.51 0.42 -1.09 117.35 126.01 1ii2 s TYR 144 Ca 0.05 -1.70 -0.17 0.00 -1.01 0.00 0.00 57.07 54.24 1ii2 s TYR 144 Cb -0.15 -3.73 0.15 0.00 -0.11 0.00 0.00 41.96 38.12 1ii2 s TYR 144 CO -0.00 -1.00 1.20 1.21 -1.11 0.00 0.00 175.55 175.85 1ii2 s ASN 145 N 2.81 6.76 -0.55 2.29 3.84 -0.28 -1.50 114.94 128.31 1ii2 s ASN 145 Ca 0.09 -2.33 0.01 0.00 0.21 0.00 0.00 52.86 50.84 1ii2 s ASN 145 Cb -0.22 -2.39 0.52 0.00 -0.55 0.00 0.00 41.25 38.61 1ii2 s ASN 145 CO -0.02 -0.96 1.91 0.00 -2.79 0.00 0.00 177.10 175.24 1ii2 n ALA 146 N 6.21 5.90 0.17 1.71 0.00 0.13 -4.07 120.51 130.56 1ii2 n ALA 146 Ca 0.27 -3.30 0.18 0.00 0.00 0.00 0.00 53.44 50.59 1ii2 n ALA 146 Cb 0.47 -1.51 0.80 0.00 0.00 0.00 0.00 19.45 19.22 1ii2 n ALA 146 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ii2 h GLY 147 N 1.64 0.00 1.58 0.00 0.00 -1.58 0.11 103.07 104.83 1ii2 h GLY 147 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1ii2 h GLY 147 CO 1.31 0.00 0.00 1.18 0.00 0.00 0.00 176.54 179.03 1ii2 n GLU 148 N -3.68 0.37 -4.64 4.80 1.02 -1.26 -1.05 120.64 116.19 1ii2 n GLU 148 Ca 0.04 0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1ii2 n GLU 148 Cb 0.44 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 1ii2 n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ii2 s LYS 150 N -0.79 4.22 0.55 0.00 1.02 -1.26 0.79 119.74 124.27 1ii2 s LYS 150 Ca 0.12 1.16 -0.02 0.00 0.02 0.00 0.00 55.97 57.24 1ii2 s LYS 150 Cb -0.11 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.00 1ii2 s LYS 150 CO 0.01 -0.04 0.82 0.00 -0.92 0.00 0.00 175.35 175.22 1ii2 s ALA 151 N -2.12 3.56 -0.51 5.17 0.00 0.29 -4.81 121.76 123.34 1ii2 s ALA 151 Ca 0.62 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1ii2 s ALA 151 Cb -0.10 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.73 1ii2 s ALA 151 CO 0.14 -0.73 0.71 0.34 0.00 0.00 0.00 175.76 176.23 1ii2 s ASP 152 N -4.33 6.27 0.15 0.00 -1.08 -1.26 -4.54 116.67 111.87 1ii2 s ASP 152 Ca 0.54 -0.70 0.11 0.00 -0.52 0.00 0.00 52.55 51.98 1ii2 s ASP 152 Cb -0.10 -2.33 0.56 0.00 -1.46 0.00 0.00 42.92 39.58 1ii2 s ASP 152 CO 0.41 -0.97 1.33 -0.81 0.52 0.00 0.00 175.17 175.65 1ii2 n PRO 153 N 6.54 0.07 0.00 4.34 -0.04 -1.26 -1.67 135.00 142.97 1ii2 n PRO 153 Ca -0.04 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 1ii2 n PRO 153 Cb 0.46 -1.71 0.53 0.00 -0.04 0.00 0.00 33.50 32.74 1ii2 n PRO 153 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ii2 n SER 154 N -1.85 0.19 -4.74 3.54 3.41 -1.26 -4.58 113.62 108.34 1ii2 n SER 154 Ca -0.00 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 1ii2 n SER 154 Cb 0.03 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 1ii2 n SER 154 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ii2 s ILE 155 N -2.90 2.72 -0.04 -1.33 1.01 -0.67 -4.89 121.20 115.09 1ii2 s ILE 155 Ca 0.16 0.58 -0.34 0.00 0.00 0.00 0.00 60.65 61.05 1ii2 s ILE 155 Cb 0.19 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 39.16 1ii2 s ILE 155 CO 0.56 0.08 1.80 -2.65 0.00 0.00 0.00 174.94 174.74 1ii2 n PRO 156 N 2.66 2.12 0.00 2.79 -0.02 -1.26 -1.70 135.00 139.59 1ii2 n PRO 156 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ii2 n PRO 156 Cb 0.40 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1ii2 n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ii2 n GLY 157 N 4.16 2.65 3.87 -1.23 0.00 -1.26 -4.72 105.19 108.65 1ii2 n GLY 157 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1ii2 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 158 N 0.00 4.05 0.00 0.99 1.02 -0.69 -4.99 118.68 119.06 1ii2 s LEU 158 Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1ii2 s LEU 158 Cb 0.00 -3.91 0.00 0.00 0.02 0.00 0.00 46.19 42.30 1ii2 s LEU 158 CO 0.00 -0.21 0.32 0.35 0.02 0.00 0.00 176.35 176.84 1ii2 n THR 159 N -0.53 0.00 -3.63 5.49 -2.24 -1.26 -4.85 114.28 107.26 1ii2 n THR 159 Ca 0.02 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1ii2 n THR 159 Cb 0.53 1.09 0.02 0.00 -2.10 0.00 0.00 70.33 69.87 1ii2 n THR 159 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ii2 n SER 160 N -0.23 -1.31 0.00 3.42 3.41 -1.26 -5.00 113.62 112.65 1ii2 n SER 160 Ca 0.00 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 56.93 1ii2 n SER 160 Cb 0.02 2.16 0.75 0.00 -0.26 0.00 0.00 64.21 66.88 1ii2 n SER 160 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ii2 n THR 161 N -0.41 0.00 -4.32 6.66 -2.24 -1.26 -4.09 114.28 108.62 1ii2 n THR 161 Ca -0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1ii2 n THR 161 Cb 0.38 -0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 1ii2 n THR 161 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ii2 s THR 162 N -2.00 4.29 -0.18 4.28 2.01 -1.26 -0.55 115.64 122.24 1ii2 s THR 162 Ca 0.38 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 1ii2 s THR 162 Cb 0.17 -2.85 0.08 0.00 0.01 0.00 0.00 72.50 69.91 1ii2 s THR 162 CO 0.29 0.55 0.39 0.00 -0.69 0.00 0.00 174.62 175.17 1ii2 s VAL 164 N 2.19 1.80 -0.07 0.00 1.01 -0.86 -0.67 120.40 123.79 1ii2 s VAL 164 Ca -0.04 -2.40 0.02 0.00 0.00 0.00 0.00 61.98 59.56 1ii2 s VAL 164 Cb -0.11 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1ii2 s VAL 164 CO -0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 175.10 174.12 1ii2 s ALA 165 N 0.66 2.73 -0.15 5.51 0.00 -0.39 -0.85 121.76 129.26 1ii2 s ALA 165 Ca 0.14 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1ii2 s ALA 165 Cb -0.22 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1ii2 s ALA 165 CO -0.08 0.48 -0.18 -1.17 0.00 0.00 0.00 175.76 174.81 1ii2 s LEU 166 N -0.46 2.31 -0.33 0.00 2.96 -0.41 -0.45 118.68 122.29 1ii2 s LEU 166 Ca 0.06 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1ii2 s LEU 166 Cb -0.12 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.11 1ii2 s LEU 166 CO 0.02 0.07 0.06 0.21 -1.32 0.00 0.00 176.35 175.39 1ii2 s ASN 167 N 0.87 5.08 0.40 3.68 3.84 0.19 -1.00 114.94 128.01 1ii2 s ASN 167 Ca -0.05 -1.34 0.22 0.00 0.21 0.00 0.00 52.86 51.90 1ii2 s ASN 167 Cb -0.15 -1.78 0.73 0.00 -0.55 0.00 0.00 41.25 39.50 1ii2 s ASN 167 CO -0.02 -0.32 1.75 -0.26 -2.79 0.00 0.00 177.10 175.45 1ii2 h PHE 168 N 8.08 0.00 0.03 0.43 0.04 -1.86 0.25 116.94 123.91 1ii2 h PHE 168 Ca -0.21 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 1ii2 h PHE 168 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1ii2 h PHE 168 CO 0.60 0.29 -0.02 -0.22 -0.60 0.00 0.00 178.31 178.36 1ii2 h LYS 169 N 0.00 -0.04 -0.00 1.51 3.64 -1.93 -3.26 116.57 116.48 1ii2 h LYS 169 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ii2 h LYS 169 Cb 0.88 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1ii2 h LYS 169 CO 0.04 0.57 -0.27 0.25 -2.27 0.00 0.00 179.45 177.76 1ii2 n THR 170 N -4.80 0.00 -3.42 1.00 -2.24 -1.23 -4.97 114.28 98.62 1ii2 n THR 170 Ca -0.09 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1ii2 n THR 170 Cb 0.31 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1ii2 n THR 170 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ii2 n ARG 171 N -1.21 -1.67 -3.87 -0.78 1.74 0.82 -4.90 116.66 106.77 1ii2 n ARG 171 Ca 0.09 0.78 -0.11 0.00 -0.77 0.00 0.00 57.85 57.84 1ii2 n ARG 171 Cb 0.32 -4.98 -0.11 0.00 -1.02 0.00 0.00 32.46 26.68 1ii2 n ARG 171 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ii2 s GLU 172 N -4.86 0.34 -0.08 5.56 2.02 -0.72 -2.24 118.70 118.72 1ii2 s GLU 172 Ca 0.38 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1ii2 s GLU 172 Cb -0.09 0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.28 1ii2 s GLU 172 CO 0.80 -0.07 -0.22 -1.14 0.02 0.00 0.00 175.26 174.65 1ii2 s GLN 173 N -0.91 2.55 -0.14 1.61 0.74 -0.33 -0.64 119.66 122.54 1ii2 s GLN 173 Ca -0.10 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.53 1ii2 s GLN 173 Cb -0.06 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 32.01 1ii2 s GLN 173 CO 0.01 0.22 -0.14 0.08 -0.55 0.00 0.00 175.29 174.91 1ii2 s VAL 174 N 0.20 2.85 -0.15 1.34 1.01 0.40 -0.44 120.40 125.62 1ii2 s VAL 174 Ca -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1ii2 s VAL 174 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1ii2 s VAL 174 CO 0.06 0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 1ii2 s ILE 175 N 0.55 2.05 0.03 2.22 1.01 -0.56 -1.26 121.20 125.24 1ii2 s ILE 175 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.61 1ii2 s ILE 175 Cb -0.16 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1ii2 s ILE 175 CO 0.04 0.55 -0.06 -0.76 0.00 0.00 0.00 174.94 174.71 1ii2 s LEU 176 N 0.94 2.20 -1.38 2.97 1.43 0.16 -0.69 118.68 124.31 1ii2 s LEU 176 Ca -0.04 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1ii2 s LEU 176 Cb -0.15 -0.10 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1ii2 s LEU 176 CO -0.05 -0.18 0.76 0.61 0.23 0.00 0.00 176.35 177.72 1ii2 n GLY 177 N 1.81 -0.43 3.57 -3.19 0.00 0.24 -1.24 105.19 105.94 1ii2 n GLY 177 Ca -0.21 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ii2 n GLY 177 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ii2 s THR 178 N -3.19 -0.11 -1.14 2.61 -1.32 -0.22 -4.51 115.64 107.75 1ii2 s THR 178 Ca 0.38 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.02 1ii2 s THR 178 Cb -0.17 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.32 1ii2 s THR 178 CO 0.47 0.00 1.42 -0.62 -2.21 0.00 0.00 174.62 173.68 1ii2 n GLU 179 N 3.91 3.02 -2.20 7.08 1.02 -1.26 -4.29 120.64 127.92 1ii2 n GLU 179 Ca -0.16 -2.46 -0.43 0.00 -0.02 0.00 0.00 57.16 54.09 1ii2 n GLU 179 Cb 0.56 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1ii2 n GLU 179 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1ii2 s TYR 180 N -1.37 2.31 0.48 -0.32 5.04 -1.26 -4.77 117.35 117.46 1ii2 s TYR 180 Ca 0.37 0.61 0.16 0.00 -2.44 0.00 0.00 57.07 55.77 1ii2 s TYR 180 Cb 0.22 -3.85 1.17 0.00 0.35 0.00 0.00 41.96 39.85 1ii2 s TYR 180 CO 0.21 -2.71 2.06 0.00 -1.34 0.00 0.00 175.55 173.77 1ii2 h ALA 181 N 9.73 2.07 -0.23 3.97 0.00 -1.92 -2.57 119.26 130.30 1ii2 h ALA 181 Ca -0.32 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ii2 h ALA 181 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ii2 h ALA 181 CO 0.99 -0.14 0.26 0.78 0.00 0.00 0.00 179.25 181.14 1ii2 h GLY 182 N 0.19 0.00 1.50 0.00 0.00 -1.96 -1.89 103.07 100.91 1ii2 h GLY 182 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ii2 h GLY 182 CO -0.02 0.00 0.31 0.83 0.00 0.00 0.00 176.54 177.66 1ii2 h GLU 183 N 0.00 0.67 0.01 4.80 4.39 -1.84 0.08 114.58 122.69 1ii2 h GLU 183 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ii2 h GLU 183 Cb 0.62 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ii2 h GLU 183 CO -0.00 0.46 -0.01 0.52 -1.16 0.00 0.00 179.01 178.82 1ii2 h MET 184 N 0.68 -0.02 -0.44 2.33 2.86 -1.56 -2.22 114.93 116.56 1ii2 h MET 184 Ca 0.18 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1ii2 h MET 184 Cb -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1ii2 h MET 184 CO -0.04 0.53 0.24 -0.22 1.06 0.00 0.00 176.91 178.48 1ii2 h LYS 185 N -0.57 0.46 0.00 1.72 3.64 -1.54 -2.11 116.57 118.17 1ii2 h LYS 185 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ii2 h LYS 185 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1ii2 h LYS 185 CO 0.00 0.31 0.00 0.87 -2.27 0.00 0.00 179.45 178.36 1ii2 h LYS 186 N 0.48 0.00 -0.38 1.90 1.79 -1.07 -2.20 116.57 117.09 1ii2 h LYS 186 Ca 0.19 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 1ii2 h LYS 186 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1ii2 h LYS 186 CO -0.12 0.00 -0.35 0.78 -1.08 0.00 0.00 179.45 178.69 1ii2 h GLY 187 N 3.19 0.94 1.39 3.86 0.00 -0.76 -0.76 103.07 110.93 1ii2 h GLY 187 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 47.33 46.27 1ii2 h GLY 187 CO 0.00 0.83 -0.38 -2.22 0.00 0.00 0.00 176.54 174.77 1ii2 h ILE 188 N 0.72 1.29 -0.49 2.60 1.08 -1.16 -1.50 117.51 120.04 1ii2 h ILE 188 Ca 0.07 -1.54 -0.02 0.00 -0.39 0.00 0.00 64.86 62.98 1ii2 h ILE 188 Cb 0.92 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 1ii2 h ILE 188 CO 0.08 0.50 0.23 0.25 -0.69 0.00 0.00 178.15 178.52 1ii2 h LEU 189 N 0.56 0.65 -0.89 1.44 5.85 -1.19 -1.00 115.31 120.73 1ii2 h LEU 189 Ca 0.05 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ii2 h LEU 189 Cb 0.91 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1ii2 h LEU 189 CO 0.08 0.60 0.58 0.74 -0.34 0.00 0.00 178.44 180.10 1ii2 h THR 190 N 0.65 1.23 -0.52 1.05 2.02 -0.91 0.31 112.91 116.75 1ii2 h THR 190 Ca 0.17 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1ii2 h THR 190 Cb 0.13 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1ii2 h THR 190 CO -0.02 0.23 0.34 0.58 0.37 0.00 0.00 175.52 177.02 1ii2 h VAL 191 N 1.21 1.12 -0.13 3.16 2.07 -0.78 -1.67 116.25 121.25 1ii2 h VAL 191 Ca 0.32 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1ii2 h VAL 191 Cb -0.12 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1ii2 h VAL 191 CO -0.07 0.13 -0.09 0.24 0.02 0.00 0.00 177.57 177.80 1ii2 h MET 192 N 0.69 0.19 0.00 1.57 2.07 -0.29 -0.27 114.93 118.89 1ii2 h MET 192 Ca 0.19 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 1ii2 h MET 192 Cb -0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.63 1ii2 h MET 192 CO -0.05 0.30 0.00 1.19 1.07 0.00 0.00 176.91 179.42 1ii2 n PHE 193 N -4.33 0.00 -0.03 -0.22 3.72 0.01 -1.57 117.46 115.05 1ii2 n PHE 193 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1ii2 n PHE 193 Cb 0.23 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1ii2 n PHE 193 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1ii2 n GLU 194 N -1.31 0.15 -0.10 -1.08 4.07 -0.76 -4.31 120.64 117.30 1ii2 n GLU 194 Ca 0.07 0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 57.08 1ii2 n GLU 194 Cb 0.13 -1.09 -0.01 0.00 -0.06 0.00 0.00 31.44 30.41 1ii2 n GLU 194 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1ii2 h LEU 195 N -0.02 0.95 -0.66 4.31 3.38 -1.06 -2.85 115.31 119.36 1ii2 h LEU 195 Ca -0.14 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 1ii2 h LEU 195 Cb 1.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1ii2 h LEU 195 CO -0.03 1.24 0.25 0.24 0.09 0.00 0.00 178.44 180.23 1ii2 h MET 196 N 0.71 1.00 -0.91 1.13 2.86 -1.53 -1.92 114.93 116.28 1ii2 h MET 196 Ca 0.05 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1ii2 h MET 196 Cb 1.00 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 1ii2 h MET 196 CO 0.10 0.84 0.59 -1.35 1.06 0.00 0.00 176.91 178.15 1ii2 h PRO 197 N 0.94 1.08 -0.33 -0.22 0.11 -1.58 0.38 132.00 132.37 1ii2 h PRO 197 Ca 0.22 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.31 1ii2 h PRO 197 Cb 0.23 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1ii2 h PRO 197 CO -0.02 0.71 0.23 1.96 -0.21 0.00 0.00 178.00 180.67 1ii2 h GLN 198 N 1.11 0.25 -0.46 1.05 4.20 -1.13 0.97 115.11 121.10 1ii2 h GLN 198 Ca 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1ii2 h GLN 198 Cb 0.07 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ii2 h GLN 198 CO -0.14 0.17 0.00 -1.33 -0.67 0.00 0.00 178.83 176.86 1ii2 n MET 199 N -4.48 2.36 -1.98 1.46 2.81 -0.15 -4.94 117.12 112.19 1ii2 n MET 199 Ca 0.03 -2.08 -0.16 0.00 -1.81 0.00 0.00 57.70 53.69 1ii2 n MET 199 Cb 0.21 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1ii2 n MET 199 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ii2 n ASN 200 N 1.24 -4.79 -4.83 7.83 3.02 0.34 -5.01 115.26 113.05 1ii2 n ASN 200 Ca 0.19 0.14 -0.25 0.00 -0.03 0.00 0.00 54.58 54.64 1ii2 n ASN 200 Cb 0.53 -3.83 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1ii2 n ASN 200 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1ii2 s HIS 201 N -2.71 3.19 -0.39 3.10 3.76 0.11 -4.97 115.29 117.37 1ii2 s HIS 201 Ca 0.00 -0.03 -0.14 0.00 -0.15 0.00 0.00 55.06 54.74 1ii2 s HIS 201 Cb 0.00 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1ii2 s HIS 201 CO 0.00 0.52 0.27 -1.17 -0.85 0.00 0.00 174.74 173.50 1ii2 s LEU 202 N -3.36 4.88 0.13 0.89 2.96 -0.75 -3.50 118.68 119.94 1ii2 s LEU 202 Ca 0.32 -0.81 -0.28 0.00 -0.22 0.00 0.00 54.13 53.14 1ii2 s LEU 202 Cb -0.09 -2.13 -0.07 0.00 0.50 0.00 0.00 46.19 44.40 1ii2 s LEU 202 CO 0.25 -0.39 0.89 0.00 -1.32 0.00 0.00 176.35 175.78 1ii2 s MET 204 N -0.45 1.29 -1.33 0.00 1.00 0.13 -4.97 119.30 114.99 1ii2 s MET 204 Ca 0.42 -0.34 -0.11 0.00 0.00 0.00 0.00 55.69 55.67 1ii2 s MET 204 Cb -0.23 -1.14 0.13 0.00 0.00 0.00 0.00 34.83 33.59 1ii2 s MET 204 CO 0.28 0.06 1.95 1.58 0.00 0.00 0.00 175.02 178.89 1ii2 n HIS 205 N 3.62 3.23 -3.87 -0.03 -0.00 -1.26 -1.85 115.22 115.06 1ii2 n HIS 205 Ca -0.21 -2.87 -0.10 0.00 0.46 0.00 0.00 57.72 55.00 1ii2 n HIS 205 Cb 0.52 -2.14 -0.09 0.00 -0.12 0.00 0.00 29.99 28.17 1ii2 n HIS 205 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ii2 s ALA 206 N 1.27 -0.28 0.64 1.57 0.00 -0.84 -2.62 121.76 121.50 1ii2 s ALA 206 Ca 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 1ii2 s ALA 206 Cb 0.10 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.58 1ii2 s ALA 206 CO -0.02 -0.35 0.90 -1.54 0.00 0.00 0.00 175.76 174.75 1ii2 s SER 207 N -2.12 4.81 -0.08 0.00 1.04 -0.47 -2.67 113.70 114.20 1ii2 s SER 207 Ca -0.05 -0.11 -0.31 0.00 0.48 0.00 0.00 55.95 55.97 1ii2 s SER 207 Cb -0.01 -0.53 0.09 0.00 0.10 0.00 0.00 66.02 65.67 1ii2 s SER 207 CO -0.04 -1.52 0.78 0.00 0.98 0.00 0.00 173.24 173.44 1ii2 s ALA 208 N -2.99 -1.82 0.22 5.32 0.00 0.72 -0.82 121.76 122.39 1ii2 s ALA 208 Ca 0.62 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.88 1ii2 s ALA 208 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1ii2 s ALA 208 CO 0.42 -0.35 0.36 0.54 0.00 0.00 0.00 175.76 176.73 1ii2 s ASN 209 N -1.16 -0.02 -0.01 0.00 2.20 -0.81 -0.83 114.94 114.31 1ii2 s ASN 209 Ca -0.08 -1.01 0.02 0.00 -0.94 0.00 0.00 52.86 50.84 1ii2 s ASN 209 Cb -0.00 0.51 -0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1ii2 s ASN 209 CO 0.07 -1.02 -0.06 0.54 -2.94 0.00 0.00 177.10 173.69 1ii2 s VAL 210 N -4.04 0.46 0.83 3.54 0.11 0.09 -1.67 120.40 119.73 1ii2 s VAL 210 Ca 0.25 -0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1ii2 s VAL 210 Cb 0.02 -0.40 0.09 0.00 -1.53 0.00 0.00 36.38 34.56 1ii2 s VAL 210 CO 0.08 0.14 1.18 -0.83 -3.33 0.00 0.00 175.10 172.33 1ii2 s GLY 211 N -0.04 1.59 0.46 6.54 0.00 -0.71 -1.33 107.32 113.83 1ii2 s GLY 211 Ca 0.01 -0.64 0.18 0.00 0.00 0.00 0.00 44.72 44.27 1ii2 s GLY 211 CO -0.00 -0.13 1.98 0.50 0.00 0.00 0.00 173.10 175.44 1ii2 h LYS 212 N -1.16 0.27 -0.10 2.90 1.79 -1.92 0.20 116.57 118.54 1ii2 h LYS 212 Ca -0.47 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ii2 h LYS 212 Cb 1.33 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1ii2 h LYS 212 CO 0.65 0.18 0.00 1.04 -1.08 0.00 0.00 179.45 180.23 1ii2 n GLN 213 N -4.45 1.38 -0.83 3.15 1.13 -1.26 -4.90 117.38 111.60 1ii2 n GLN 213 Ca 0.10 -0.57 0.00 0.00 -1.94 0.00 0.00 57.00 54.59 1ii2 n GLN 213 Cb 0.47 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.52 1ii2 n GLN 213 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ii2 n GLY 214 N 0.93 0.57 3.65 1.08 0.00 0.68 -5.02 105.19 107.07 1ii2 n GLY 214 Ca 0.13 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1ii2 n GLY 214 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ii2 s ASP 215 N -2.16 6.96 0.03 1.61 -4.77 -1.26 -4.69 116.67 112.39 1ii2 s ASP 215 Ca 0.00 1.15 -0.20 0.00 -3.30 0.00 0.00 52.55 50.20 1ii2 s ASP 215 Cb 0.00 -2.50 -0.06 0.00 -1.09 0.00 0.00 42.92 39.27 1ii2 s ASP 215 CO 0.00 -0.68 0.60 -0.69 0.70 0.00 0.00 175.17 175.09 1ii2 s VAL 216 N 3.21 4.82 -0.05 2.11 1.01 -1.26 -1.74 120.40 128.50 1ii2 s VAL 216 Ca 0.41 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1ii2 s VAL 216 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1ii2 s VAL 216 CO 0.09 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.62 1ii2 s THR 217 N -0.55 1.27 0.05 3.92 2.01 -0.67 0.25 115.64 121.92 1ii2 s THR 217 Ca 0.31 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.78 1ii2 s THR 217 Cb -0.19 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1ii2 s THR 217 CO 0.18 0.37 -0.25 0.68 -0.69 0.00 0.00 174.62 174.92 1ii2 s VAL 218 N 0.19 2.30 -0.26 3.82 -7.23 -0.95 -1.93 120.40 116.33 1ii2 s VAL 218 Ca -0.06 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1ii2 s VAL 218 Cb -0.12 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1ii2 s VAL 218 CO 0.02 0.33 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.71 1ii2 s PHE 219 N -0.86 2.90 0.30 2.82 0.40 -0.00 -0.88 117.98 122.65 1ii2 s PHE 219 Ca 0.13 -2.13 -0.23 0.00 -0.60 0.00 0.00 56.93 54.10 1ii2 s PHE 219 Cb -0.10 -1.86 -0.09 0.00 0.51 0.00 0.00 43.02 41.47 1ii2 s PHE 219 CO 0.03 -0.84 0.86 -0.06 0.70 0.00 0.00 175.22 175.91 1ii2 s PHE 220 N 1.22 3.61 0.00 0.36 0.40 0.13 -1.37 117.98 122.32 1ii2 s PHE 220 Ca -0.05 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1ii2 s PHE 220 Cb -0.19 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1ii2 s PHE 220 CO -0.06 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.47 1ii2 n GLY 221 N 0.40 2.59 3.79 4.36 0.00 -1.08 -0.91 105.19 114.34 1ii2 n GLY 221 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1ii2 n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 222 N 0.00 2.18 0.50 0.99 1.43 -1.25 -4.78 118.68 117.76 1ii2 s LEU 222 Ca 0.00 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.96 1ii2 s LEU 222 Cb 0.00 -3.50 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1ii2 s LEU 222 CO 0.00 -2.40 1.39 -0.55 0.23 0.00 0.00 176.35 175.02 1ii2 s SER 223 N -3.95 5.56 -0.95 2.29 0.15 -1.26 -2.96 113.70 112.58 1ii2 s SER 223 Ca 0.63 2.84 0.00 0.00 0.70 0.00 0.00 55.95 60.11 1ii2 s SER 223 Cb -0.15 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1ii2 s SER 223 CO 0.54 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1ii2 n GLY 224 N 0.65 1.06 0.46 9.45 0.00 -1.26 -4.56 105.19 111.00 1ii2 n GLY 224 Ca 0.08 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1ii2 n GLY 224 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ii2 n THR 225 N -2.70 1.34 0.00 2.61 -2.24 -1.15 -4.91 114.28 107.23 1ii2 n THR 225 Ca -0.09 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 1ii2 n THR 225 Cb 0.32 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1ii2 n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 226 N -0.14 1.89 0.22 3.38 0.00 -1.26 -4.79 105.19 104.49 1ii2 n GLY 226 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1ii2 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii2 h LYS 227 N 0.00 0.10 0.00 1.61 1.57 -1.88 0.15 116.57 118.12 1ii2 h LYS 227 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ii2 h LYS 227 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ii2 h LYS 227 CO 0.00 0.06 -0.00 1.15 -0.57 0.00 0.00 179.45 180.09 1ii2 h THR 228 N 0.10 1.48 -0.24 -0.16 2.02 -1.97 -2.57 112.91 111.57 1ii2 h THR 228 Ca 0.29 -1.42 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 1ii2 h THR 228 Cb 0.46 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1ii2 h THR 228 CO -0.49 0.37 -0.29 0.00 0.37 0.00 0.00 175.52 175.48 1ii2 h THR 229 N -0.61 1.27 0.00 3.16 1.03 -1.91 -2.76 112.91 113.10 1ii2 h THR 229 Ca -0.00 -1.34 -0.20 0.00 -0.01 0.00 0.00 66.41 64.86 1ii2 h THR 229 Cb 0.61 1.40 -0.03 0.00 -1.07 0.00 0.00 68.15 69.06 1ii2 h THR 229 CO 0.00 0.42 -0.94 -0.07 -0.01 0.00 0.00 175.52 174.92 1ii2 h LEU 230 N 0.42 0.00 -0.06 0.00 3.38 -0.81 -3.16 115.31 115.08 1ii2 h LEU 230 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ii2 h LEU 230 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ii2 h LEU 230 CO 0.06 0.94 0.00 0.77 0.09 0.00 0.00 178.44 180.29 1ii2 h SER 231 N 0.00 0.00 -1.96 -0.43 4.64 -1.43 -3.39 113.55 110.98 1ii2 h SER 231 Ca -0.01 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.70 1ii2 h SER 231 Cb 1.67 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.64 1ii2 h SER 231 CO 0.12 0.00 1.09 0.00 -0.87 0.00 0.00 176.83 177.17 1ii2 s ALA 232 N -3.15 2.93 -0.12 5.18 0.00 -1.04 -4.72 121.76 120.84 1ii2 s ALA 232 Ca 0.09 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 50.01 1ii2 s ALA 232 Cb 0.10 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1ii2 s ALA 232 CO 0.60 -3.26 -0.22 0.34 0.00 0.00 0.00 175.76 173.23 1ii2 s ASP 233 N 4.17 3.22 0.45 0.00 -1.08 -1.26 -4.97 116.67 117.21 1ii2 s ASP 233 Ca 0.36 -0.54 0.18 0.00 -0.52 0.00 0.00 52.55 52.03 1ii2 s ASP 233 Cb -0.06 -1.45 1.13 0.00 -1.46 0.00 0.00 42.92 41.09 1ii2 s ASP 233 CO -0.00 0.13 1.94 -0.65 0.52 0.00 0.00 175.17 177.11 1ii2 h PRO 234 N 6.92 0.31 -0.20 4.34 0.11 -1.97 -1.80 132.00 139.70 1ii2 h PRO 234 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ii2 h PRO 234 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ii2 h PRO 234 CO 0.51 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.11 1ii2 n HIS 235 N -4.45 0.24 -4.54 0.65 1.44 -1.26 -4.94 115.22 102.36 1ii2 n HIS 235 Ca 0.13 -0.12 -0.21 0.00 -2.01 0.00 0.00 57.72 55.51 1ii2 n HIS 235 Cb 0.54 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.50 1ii2 n HIS 235 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1ii2 s ARG 236 N -1.76 0.99 0.11 -1.40 0.52 -0.68 -4.39 118.95 112.34 1ii2 s ARG 236 Ca 0.34 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 1ii2 s ARG 236 Cb 0.21 -0.96 -0.06 0.00 0.52 0.00 0.00 34.95 34.66 1ii2 s ARG 236 CO 0.31 0.26 1.14 -0.80 0.02 0.00 0.00 175.30 176.23 1ii2 s ASN 237 N -0.35 7.17 0.19 0.23 0.02 -0.44 -4.34 114.94 117.43 1ii2 s ASN 237 Ca 0.04 2.03 -0.30 0.00 -1.02 0.00 0.00 52.86 53.62 1ii2 s ASN 237 Cb -0.05 -2.59 -0.08 0.00 0.02 0.00 0.00 41.25 38.55 1ii2 s ASN 237 CO -0.00 -0.35 1.07 -0.22 0.02 0.00 0.00 177.10 177.62 1ii2 s LEU 238 N 0.40 4.52 -0.24 0.60 2.96 -1.26 -0.73 118.68 124.93 1ii2 s LEU 238 Ca 0.54 2.08 -0.08 0.00 -0.22 0.00 0.00 54.13 56.45 1ii2 s LEU 238 Cb -0.29 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.67 1ii2 s LEU 238 CO 0.32 -0.15 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.54 1ii2 n ILE 239 N 2.12 1.34 -3.56 6.68 5.41 -0.01 -1.61 119.36 129.73 1ii2 n ILE 239 Ca 0.02 -0.40 -0.07 0.00 1.00 0.00 0.00 62.75 63.30 1ii2 n ILE 239 Cb 0.46 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 1ii2 n ILE 239 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ii2 s GLY 240 N -5.70 -0.33 0.00 7.39 0.00 -0.77 -4.79 107.32 103.13 1ii2 s GLY 240 Ca -0.33 1.53 0.12 0.00 0.00 0.00 0.00 44.72 46.04 1ii2 s GLY 240 CO 0.46 0.57 1.22 2.09 0.00 0.00 0.00 173.10 177.44 1ii2 n ASP 241 N 0.01 2.87 0.00 1.64 5.75 -1.26 -0.20 116.55 125.35 1ii2 n ASP 241 Ca -0.04 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1ii2 n ASP 241 Cb 0.59 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1ii2 n ASP 241 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ii2 n ASP 242 N 0.64 0.00 -3.72 -1.12 2.03 -1.25 -4.10 116.55 109.03 1ii2 n ASP 242 Ca 0.12 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.27 1ii2 n ASP 242 Cb 0.42 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.66 1ii2 n ASP 242 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ii2 s GLU 243 N -1.00 -0.00 0.10 -0.67 2.02 -1.09 -1.99 118.70 116.06 1ii2 s GLU 243 Ca 0.00 0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1ii2 s GLU 243 Cb 0.00 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 1ii2 s GLU 243 CO 0.00 -0.24 0.04 -1.01 0.02 0.00 0.00 175.26 174.07 1ii2 s HIS 244 N 1.62 0.67 -0.05 1.61 3.76 -0.77 -1.62 115.29 120.50 1ii2 s HIS 244 Ca -0.03 -1.11 0.04 0.00 -0.15 0.00 0.00 55.06 53.81 1ii2 s HIS 244 Cb -0.12 -0.40 -0.00 0.00 1.11 0.00 0.00 32.58 33.16 1ii2 s HIS 244 CO -0.04 -0.47 -0.17 0.08 -0.85 0.00 0.00 174.74 173.28 1ii2 s VAL 245 N -3.98 1.45 -0.35 -0.90 1.01 -0.44 0.21 120.40 117.40 1ii2 s VAL 245 Ca 0.16 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1ii2 s VAL 245 Cb 0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ii2 s VAL 245 CO -0.04 0.42 0.23 0.86 0.00 0.00 0.00 175.10 176.57 1ii2 s TRP 246 N 0.10 3.22 0.00 5.22 -0.11 0.41 -1.45 118.94 126.32 1ii2 s TRP 246 Ca -0.05 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 56.83 1ii2 s TRP 246 Cb -0.12 -2.46 0.00 0.00 -1.50 0.00 0.00 33.47 29.39 1ii2 s TRP 246 CO 0.03 -0.45 0.00 0.25 -4.62 0.00 0.00 176.95 172.16 1ii2 n THR 247 N 5.07 0.00 0.25 5.86 -2.24 0.32 -1.82 114.28 121.73 1ii2 n THR 247 Ca -0.13 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1ii2 n THR 247 Cb 0.49 -0.43 0.45 0.00 -2.10 0.00 0.00 70.33 68.74 1ii2 n THR 247 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ii2 h ASP 248 N 0.00 0.00 0.18 3.42 2.03 -1.97 -3.10 116.42 116.99 1ii2 h ASP 248 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ii2 h ASP 248 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ii2 h ASP 248 CO 0.00 0.00 -0.94 0.54 -1.03 0.00 0.00 179.24 177.81 1ii2 n ARG 249 N -3.09 0.08 0.00 4.15 1.74 -1.26 -5.06 116.66 113.22 1ii2 n ARG 249 Ca 0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ii2 n ARG 249 Cb 0.41 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1ii2 n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ii2 n GLY 250 N 1.47 0.37 3.63 -0.13 0.00 -1.17 -4.60 105.19 104.75 1ii2 n GLY 250 Ca 0.04 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 1ii2 n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ii2 s VAL 251 N -2.29 3.42 -0.05 1.61 -7.23 -0.15 0.12 120.40 115.83 1ii2 s VAL 251 Ca 0.00 -1.77 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1ii2 s VAL 251 Cb 0.00 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1ii2 s VAL 251 CO 0.00 -0.26 0.14 0.72 -0.31 0.00 0.00 175.10 175.39 1ii2 s PHE 252 N -2.06 -0.14 0.18 2.82 -0.12 -0.53 -1.45 117.98 116.67 1ii2 s PHE 252 Ca 0.29 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 57.22 1ii2 s PHE 252 Cb -0.08 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.29 1ii2 s PHE 252 CO 0.18 -0.08 1.10 1.21 -0.05 0.00 0.00 175.22 177.58 1ii2 s ASN 253 N 0.02 7.27 0.20 1.98 3.84 -0.42 -1.32 114.94 126.51 1ii2 s ASN 253 Ca -0.01 2.09 0.09 0.00 0.21 0.00 0.00 52.86 55.24 1ii2 s ASN 253 Cb -0.01 -2.60 0.09 0.00 -0.55 0.00 0.00 41.25 38.18 1ii2 s ASN 253 CO 0.00 -0.21 1.46 0.40 -2.79 0.00 0.00 177.10 175.96 1ii2 h ILE 254 N 3.70 1.56 -1.80 -5.21 2.04 -1.66 -2.57 117.51 113.58 1ii2 h ILE 254 Ca -0.44 -2.72 -0.44 0.00 1.00 0.00 0.00 64.86 62.25 1ii2 h ILE 254 Cb 1.21 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1ii2 h ILE 254 CO 0.72 0.78 -0.35 -1.61 0.00 0.00 0.00 178.15 177.69 1ii2 s GLU 255 N -3.19 3.09 0.00 2.37 2.02 -1.26 -0.53 118.70 121.21 1ii2 s GLU 255 Ca -0.00 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 54.04 1ii2 s GLU 255 Cb 0.11 -2.80 0.22 0.00 0.10 0.00 0.00 34.13 31.76 1ii2 s GLU 255 CO 0.79 0.06 1.15 0.41 0.02 0.00 0.00 175.26 177.69 1ii2 n GLY 256 N -1.63 2.51 0.66 -1.39 0.00 0.06 -4.82 105.19 100.58 1ii2 n GLY 256 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1ii2 n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ii2 n GLY 257 N 0.29 1.77 3.02 -0.02 0.00 -1.01 -1.12 105.19 108.13 1ii2 n GLY 257 Ca 0.08 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1ii2 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 n TYR 259 N 3.44 3.39 -2.89 0.00 9.36 -1.26 -1.79 117.16 127.41 1ii2 n TYR 259 Ca -0.20 -3.75 -0.35 0.00 3.32 0.00 0.00 57.90 56.92 1ii2 n TYR 259 Cb 0.53 -0.87 -0.07 0.00 -0.63 0.00 0.00 39.34 38.30 1ii2 n TYR 259 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ii2 s ALA 260 N -2.27 3.20 0.22 2.98 0.00 -0.57 -4.84 121.76 120.49 1ii2 s ALA 260 Ca 0.34 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1ii2 s ALA 260 Cb 0.06 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 1ii2 s ALA 260 CO -0.02 0.21 1.46 0.15 0.00 0.00 0.00 175.76 177.57 1ii2 s LYS 261 N -2.52 4.26 0.03 0.00 1.02 -1.26 -1.67 119.74 119.60 1ii2 s LYS 261 Ca 0.53 2.30 0.25 0.00 0.02 0.00 0.00 55.97 59.07 1ii2 s LYS 261 Cb -0.14 -3.13 0.48 0.00 -0.52 0.00 0.00 37.83 34.52 1ii2 s LYS 261 CO 0.19 -0.46 1.40 0.00 -0.92 0.00 0.00 175.35 175.56 1ii2 n ALA 262 N 2.76 3.31 -1.67 5.17 0.00 0.05 -4.83 120.51 125.29 1ii2 n ALA 262 Ca 0.08 -0.31 -0.51 0.00 0.00 0.00 0.00 53.44 52.70 1ii2 n ALA 262 Cb 0.40 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1ii2 n ALA 262 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1ii2 n ILE 263 N -1.68 0.31 -0.99 0.00 0.13 -1.26 -2.14 119.36 113.72 1ii2 n ILE 263 Ca 0.05 -0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 1ii2 n ILE 263 Cb 0.37 -1.47 0.00 0.00 -0.84 0.00 0.00 39.64 37.70 1ii2 n ILE 263 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ii2 n GLY 264 N 3.89 0.32 3.73 4.50 0.00 -0.25 -4.98 105.19 112.39 1ii2 n GLY 264 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ii2 n GLY 264 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 265 N 0.00 4.36 -0.02 0.99 1.43 -0.91 -4.98 118.68 119.55 1ii2 s LEU 265 Ca 0.00 2.87 -0.19 0.00 -1.03 0.00 0.00 54.13 55.78 1ii2 s LEU 265 Cb 0.00 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1ii2 s LEU 265 CO 0.00 -0.95 0.41 0.54 0.23 0.00 0.00 176.35 176.58 1ii2 s ASN 266 N 1.02 -0.32 0.05 2.29 2.20 -1.26 -4.74 114.94 114.18 1ii2 s ASN 266 Ca 0.72 0.25 0.10 0.00 -0.94 0.00 0.00 52.86 52.99 1ii2 s ASN 266 Cb -0.49 0.37 0.45 0.00 -2.00 0.00 0.00 41.25 39.59 1ii2 s ASN 266 CO 0.36 -0.49 1.32 -0.81 -2.94 0.00 0.00 177.10 174.53 1ii2 n PRO 267 N 1.17 0.03 -0.08 3.55 -0.04 -1.26 -1.35 135.00 137.01 1ii2 n PRO 267 Ca -0.21 0.40 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 1ii2 n PRO 267 Cb 0.56 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 1ii2 n PRO 267 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ii2 h LYS 268 N 0.00 0.00 -0.00 0.54 6.56 -1.96 -3.32 116.57 118.39 1ii2 h LYS 268 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ii2 h LYS 268 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1ii2 h LYS 268 CO 0.00 0.84 -0.88 0.25 -2.06 0.00 0.00 179.45 177.59 1ii2 n THR 269 N -4.56 0.00 -2.87 -0.16 -2.24 -1.21 -4.59 114.28 98.65 1ii2 n THR 269 Ca -0.17 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1ii2 n THR 269 Cb 0.49 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 1ii2 n THR 269 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ii2 n GLU 270 N -1.33 1.07 0.08 -0.78 -0.58 -0.46 -5.00 120.64 113.63 1ii2 n GLU 270 Ca 0.04 -2.81 -0.14 0.00 -0.42 0.00 0.00 57.16 53.83 1ii2 n GLU 270 Cb 0.32 -1.17 -0.07 0.00 -0.57 0.00 0.00 31.44 29.95 1ii2 n GLU 270 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ii2 h LYS 271 N 2.84 -0.58 -0.47 3.49 3.64 -1.65 0.23 116.57 124.06 1ii2 h LYS 271 Ca -0.06 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1ii2 h LYS 271 Cb 1.11 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 1ii2 h LYS 271 CO 0.34 -0.39 0.16 -0.44 -2.27 0.00 0.00 179.45 176.85 1ii2 h ASP 272 N -0.60 0.16 -0.32 4.20 5.19 -1.92 0.18 116.42 123.31 1ii2 h ASP 272 Ca 0.04 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.42 1ii2 h ASP 272 Cb 0.66 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 1ii2 h ASP 272 CO -0.28 0.12 -0.14 0.40 -3.12 0.00 0.00 179.24 176.21 1ii2 h ILE 273 N 0.33 1.29 -0.57 0.35 2.04 -1.90 -2.25 117.51 116.81 1ii2 h ILE 273 Ca 0.23 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.87 1ii2 h ILE 273 Cb 0.24 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1ii2 h ILE 273 CO -0.24 0.40 0.34 0.22 0.00 0.00 0.00 178.15 178.88 1ii2 h TYR 274 N 0.42 0.64 0.00 1.37 5.03 -0.60 -1.56 116.97 122.28 1ii2 h TYR 274 Ca 0.07 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1ii2 h TYR 274 Cb 0.67 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1ii2 h TYR 274 CO 0.06 0.37 0.00 -0.44 -1.32 0.00 0.00 178.16 176.83 1ii2 h ASP 275 N 0.68 0.00 1.69 -2.11 3.32 -0.54 -2.46 116.42 117.00 1ii2 h ASP 275 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ii2 h ASP 275 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ii2 h ASP 275 CO -0.10 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 1ii2 h ALA 276 N 2.03 1.00 -0.61 3.45 0.00 -0.66 -3.38 119.26 121.09 1ii2 h ALA 276 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1ii2 h ALA 276 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1ii2 h ALA 276 CO 0.00 0.00 2.47 0.28 0.00 0.00 0.00 179.25 182.00 1ii2 n VAL 277 N -2.89 3.83 -3.44 0.00 0.31 -0.93 -4.73 118.33 110.49 1ii2 n VAL 277 Ca 0.04 -3.77 0.00 0.00 -0.01 0.00 0.00 64.34 60.60 1ii2 n VAL 277 Cb 0.46 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 1ii2 n VAL 277 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1ii2 n ARG 278 N 6.69 0.24 -1.62 5.55 1.85 -1.26 -4.64 116.66 123.46 1ii2 n ARG 278 Ca 0.48 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.84 1ii2 n ARG 278 Cb 0.42 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.78 1ii2 n ARG 278 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1ii2 n PHE 279 N 0.00 1.74 0.00 2.89 7.35 -0.70 -0.78 117.46 127.96 1ii2 n PHE 279 Ca 0.00 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 1ii2 n PHE 279 Cb 0.00 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 37.44 1ii2 n PHE 279 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ii2 n GLY 280 N 2.53 2.59 3.97 7.13 0.00 -1.26 -4.92 105.19 115.24 1ii2 n GLY 280 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1ii2 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 281 N -2.67 4.03 -0.01 4.61 0.00 0.04 -4.73 121.76 123.03 1ii2 s ALA 281 Ca 0.00 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1ii2 s ALA 281 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1ii2 s ALA 281 CO 0.00 -0.02 -0.24 0.08 0.00 0.00 0.00 175.76 175.58 1ii2 s VAL 282 N -2.20 1.89 -0.19 0.00 1.01 0.30 -0.88 120.40 120.34 1ii2 s VAL 282 Ca 0.42 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1ii2 s VAL 282 Cb -0.09 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ii2 s VAL 282 CO 0.32 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.81 1ii2 s ALA 283 N -0.60 2.62 -0.24 5.51 0.00 0.35 -0.52 121.76 128.88 1ii2 s ALA 283 Ca 0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1ii2 s ALA 283 Cb -0.09 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1ii2 s ALA 283 CO -0.00 -0.27 -0.04 -2.00 0.00 0.00 0.00 175.76 173.44 1ii2 s GLU 284 N 1.20 3.09 -1.35 0.00 2.12 0.16 -0.56 118.70 123.36 1ii2 s GLU 284 Ca 0.02 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1ii2 s GLU 284 Cb -0.14 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1ii2 s GLU 284 CO -0.04 -0.32 0.00 0.09 -0.54 0.00 0.00 175.26 174.44 1ii2 n ASN 285 N 4.75 -4.50 -4.93 -1.70 3.02 0.43 -1.81 115.26 110.53 1ii2 n ASN 285 Ca -0.17 0.20 -0.26 0.00 -0.03 0.00 0.00 54.58 54.32 1ii2 n ASN 285 Cb 0.49 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 1ii2 n ASN 285 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ii2 s VAL 287 N -2.27 3.92 0.03 0.00 1.01 -1.26 -4.89 120.40 116.93 1ii2 s VAL 287 Ca 0.42 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1ii2 s VAL 287 Cb -0.10 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1ii2 s VAL 287 CO 0.35 0.53 0.27 -0.76 0.00 0.00 0.00 175.10 175.48 1ii2 s LEU 288 N -0.04 4.36 -0.12 3.92 1.02 -1.26 -0.28 118.68 126.28 1ii2 s LEU 288 Ca 0.01 0.51 -0.30 0.00 0.02 0.00 0.00 54.13 54.37 1ii2 s LEU 288 Cb -0.13 -2.78 -0.02 0.00 0.02 0.00 0.00 46.19 43.28 1ii2 s LEU 288 CO 0.03 0.22 1.16 -0.62 0.02 0.00 0.00 176.35 177.16 1ii2 s ASP 289 N -1.91 7.06 0.25 2.29 -1.08 0.29 -4.85 116.67 118.72 1ii2 s ASP 289 Ca 0.30 1.68 -0.03 0.00 -0.52 0.00 0.00 52.55 53.98 1ii2 s ASP 289 Cb -0.13 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.24 1ii2 s ASP 289 CO 0.19 -0.62 1.80 0.11 0.52 0.00 0.00 175.17 177.17 1ii2 h LYS 290 N 7.59 0.74 0.51 4.34 1.79 -1.97 0.35 116.57 129.92 1ii2 h LYS 290 Ca -0.30 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 1ii2 h LYS 290 Cb 1.13 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1ii2 h LYS 290 CO 0.91 0.49 -0.24 0.00 -1.08 0.00 0.00 179.45 179.53 1ii2 h ARG 291 N 0.76 -0.66 0.00 3.15 -0.00 -1.96 -3.36 114.38 112.31 1ii2 h ARG 291 Ca 0.43 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.95 1ii2 h ARG 291 Cb 0.47 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.59 1ii2 h ARG 291 CO -0.29 -0.40 -1.26 0.25 0.00 0.00 0.00 179.97 178.28 1ii2 n THR 292 N -5.35 0.00 -1.03 2.04 -2.24 -1.19 -4.97 114.28 101.55 1ii2 n THR 292 Ca -0.12 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1ii2 n THR 292 Cb 0.30 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1ii2 n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 293 N 1.43 0.49 3.86 3.38 0.00 0.12 -4.52 105.19 109.95 1ii2 n GLY 293 Ca 0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1ii2 n GLY 293 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ii2 s GLU 294 N -0.95 3.87 0.22 1.61 2.02 -1.25 -1.08 118.70 123.15 1ii2 s GLU 294 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.05 1ii2 s GLU 294 Cb 0.00 -2.77 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1ii2 s GLU 294 CO 0.00 0.39 1.12 0.42 0.02 0.00 0.00 175.26 177.21 1ii2 s ILE 295 N -1.66 3.64 -0.88 -1.63 1.01 -1.26 0.11 121.20 120.52 1ii2 s ILE 295 Ca 0.43 1.50 -0.16 0.00 0.00 0.00 0.00 60.65 62.42 1ii2 s ILE 295 Cb -0.13 -3.95 0.19 0.00 0.01 0.00 0.00 42.46 38.58 1ii2 s ILE 295 CO 0.20 0.30 0.91 -0.62 0.00 0.00 0.00 174.94 175.73 1ii2 s ASP 296 N -0.39 6.73 0.00 3.58 -1.08 0.61 -4.83 116.67 121.30 1ii2 s ASP 296 Ca 0.48 -2.49 0.01 0.00 -0.52 0.00 0.00 52.55 50.03 1ii2 s ASP 296 Cb -0.31 -2.28 0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1ii2 s ASP 296 CO 0.38 -0.74 1.02 0.49 0.52 0.00 0.00 175.17 176.83 1ii2 n PHE 297 N 4.89 0.00 1.00 -5.34 3.72 -1.26 -1.16 117.46 119.30 1ii2 n PHE 297 Ca 0.18 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.68 1ii2 n PHE 297 Cb 0.48 -0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 1ii2 n PHE 297 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ii2 n TYR 298 N -1.50 0.00 -2.63 1.38 4.01 -1.26 -1.09 117.16 116.07 1ii2 n TYR 298 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1ii2 n TYR 298 Cb 0.01 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 1ii2 n TYR 298 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ii2 s ASP 299 N -3.01 6.62 -0.29 7.72 -1.08 -0.31 -4.89 116.67 121.44 1ii2 s ASP 299 Ca 0.08 0.44 0.10 0.00 -0.52 0.00 0.00 52.55 52.65 1ii2 s ASP 299 Cb 0.16 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.61 1ii2 s ASP 299 CO 0.85 -1.22 1.49 -0.62 0.52 0.00 0.00 175.17 176.19 1ii2 n GLU 300 N 7.73 2.01 0.26 4.34 1.02 -1.26 -4.48 120.64 130.25 1ii2 n GLU 300 Ca 0.11 -3.13 0.08 0.00 -0.02 0.00 0.00 57.16 54.21 1ii2 n GLU 300 Cb 0.49 -1.85 0.65 0.00 -0.02 0.00 0.00 31.44 30.71 1ii2 n GLU 300 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ii2 h SER 301 N 1.10 0.00 0.06 1.62 4.64 -1.93 -2.65 113.55 116.40 1ii2 h SER 301 Ca 0.22 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 1ii2 h SER 301 Cb 1.72 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.81 1ii2 h SER 301 CO 0.42 0.03 -0.40 0.40 -0.87 0.00 0.00 176.83 176.41 1ii2 h ILE 302 N 0.00 1.63 -1.87 0.95 2.04 -1.83 -3.49 117.51 114.94 1ii2 h ILE 302 Ca -0.00 -2.42 0.24 0.00 1.00 0.00 0.00 64.86 63.68 1ii2 h ILE 302 Cb 0.06 3.26 -0.11 0.00 -0.74 0.00 0.00 36.82 39.29 1ii2 h ILE 302 CO 0.00 0.64 0.66 0.00 0.00 0.00 0.00 178.15 179.46 1ii2 n LYS 304 N -0.43 4.07 -2.48 0.00 5.02 -1.26 -4.17 118.16 118.91 1ii2 n LYS 304 Ca -0.07 -2.64 -0.13 0.00 -2.02 0.00 0.00 58.31 53.45 1ii2 n LYS 304 Cb 0.61 -2.13 0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1ii2 n LYS 304 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ii2 n ASN 305 N 0.38 3.13 -4.75 4.39 5.15 -1.26 -4.86 115.26 117.45 1ii2 n ASN 305 Ca 0.26 -2.95 -0.38 0.00 -0.60 0.00 0.00 54.58 50.91 1ii2 n ASN 305 Cb 1.10 -0.44 0.03 0.00 -0.53 0.00 0.00 39.78 39.94 1ii2 n ASN 305 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ii2 s THR 306 N -4.22 2.28 0.05 -0.44 -4.23 -1.26 -4.91 115.64 102.92 1ii2 s THR 306 Ca 0.38 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1ii2 s THR 306 Cb 0.38 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1ii2 s THR 306 CO -0.02 -0.00 -0.02 -0.13 -0.54 0.00 0.00 174.62 173.91 1ii2 s ARG 307 N -2.87 0.60 -0.00 3.99 1.81 -0.75 -0.77 118.95 120.95 1ii2 s ARG 307 Ca 0.70 -1.15 0.02 0.00 -1.72 0.00 0.00 55.73 53.58 1ii2 s ARG 307 Cb -0.38 0.21 -0.00 0.00 -0.45 0.00 0.00 34.95 34.32 1ii2 s ARG 307 CO 0.45 -0.11 -0.06 0.14 -0.68 0.00 0.00 175.30 175.04 1ii2 s VAL 308 N -3.70 0.48 -0.05 3.52 -7.23 -0.67 0.37 120.40 113.12 1ii2 s VAL 308 Ca 0.05 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 1ii2 s VAL 308 Cb 0.06 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1ii2 s VAL 308 CO -0.09 0.14 -0.17 0.00 -0.31 0.00 0.00 175.10 174.67 1ii2 s ALA 309 N -0.14 1.53 0.02 1.32 0.00 0.33 -1.51 121.76 123.30 1ii2 s ALA 309 Ca 0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1ii2 s ALA 309 Cb -0.02 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1ii2 s ALA 309 CO -0.00 0.25 0.34 1.52 0.00 0.00 0.00 175.76 177.87 1ii2 s TYR 310 N 0.18 -0.19 0.77 0.00 -0.85 -0.74 -0.54 117.35 115.98 1ii2 s TYR 310 Ca -0.07 0.19 -0.13 0.00 -0.52 0.00 0.00 57.07 56.54 1ii2 s TYR 310 Cb -0.13 0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.41 1ii2 s TYR 310 CO 0.03 -0.48 1.14 -2.14 -1.52 0.00 0.00 175.55 172.58 1ii2 s PRO 311 N -2.01 2.05 0.41 -3.49 0.02 -1.26 -0.91 135.00 129.82 1ii2 s PRO 311 Ca -0.09 1.46 0.07 0.00 0.02 0.00 0.00 61.00 62.47 1ii2 s PRO 311 Cb -0.02 -1.85 0.87 0.00 0.02 0.00 0.00 34.50 33.51 1ii2 s PRO 311 CO 0.00 -1.84 2.06 -0.07 -0.33 0.00 0.00 177.00 176.82 1ii2 h LEU 312 N -0.83 0.45 -1.61 -5.54 3.38 -1.37 -1.95 115.31 107.84 1ii2 h LEU 312 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ii2 h LEU 312 Cb 1.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ii2 h LEU 312 CO 0.49 0.34 0.08 0.77 0.09 0.00 0.00 178.44 180.20 1ii2 h SER 313 N 0.53 0.00 0.74 -0.43 4.64 -1.91 -0.72 113.55 116.41 1ii2 h SER 313 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ii2 h SER 313 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1ii2 h SER 313 CO -0.03 0.00 -0.01 1.41 -0.87 0.00 0.00 176.83 177.34 1ii2 n HIS 314 N -2.39 0.00 -3.73 4.77 8.25 -0.73 -4.66 115.22 116.73 1ii2 n HIS 314 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1ii2 n HIS 314 Cb 0.11 -0.37 -0.12 0.00 1.12 0.00 0.00 29.99 30.73 1ii2 n HIS 314 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ii2 s ILE 315 N -2.75 4.23 0.25 1.59 -1.09 -0.28 -4.49 121.20 118.66 1ii2 s ILE 315 Ca 0.22 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 1ii2 s ILE 315 Cb 0.20 -3.12 -0.10 0.00 -1.58 0.00 0.00 42.46 37.86 1ii2 s ILE 315 CO 0.49 0.15 1.46 -1.61 -1.23 0.00 0.00 174.94 174.20 1ii2 s GLU 316 N 1.56 4.25 0.00 2.79 0.41 -1.26 -2.31 118.70 124.15 1ii2 s GLU 316 Ca 0.04 2.33 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1ii2 s GLU 316 Cb -0.17 -3.10 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1ii2 s GLU 316 CO 0.04 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.78 1ii2 n GLY 317 N 2.21 3.04 3.76 -1.39 0.00 -1.26 -4.86 105.19 106.70 1ii2 n GLY 317 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1ii2 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 n ALA 318 N -0.58 2.29 -1.82 4.61 0.00 -0.98 -4.00 120.51 120.03 1ii2 n ALA 318 Ca 0.00 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1ii2 n ALA 318 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 1ii2 n ALA 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ii2 s LEU 319 N -1.55 4.37 0.07 0.00 1.43 -0.63 -4.91 118.68 117.46 1ii2 s LEU 319 Ca 0.56 2.81 -0.20 0.00 -1.03 0.00 0.00 54.13 56.27 1ii2 s LEU 319 Cb -0.49 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 41.99 1ii2 s LEU 319 CO 0.60 -0.80 1.52 -1.28 0.23 0.00 0.00 176.35 176.62 1ii2 h SER 320 N 4.84 0.33 -3.43 2.29 0.87 -1.93 -3.33 113.55 113.19 1ii2 h SER 320 Ca -0.47 -0.29 -0.72 0.00 -1.23 0.00 0.00 61.79 59.09 1ii2 h SER 320 Cb 1.22 -0.09 -0.28 0.00 -0.44 0.00 0.00 62.40 62.81 1ii2 h SER 320 CO 0.78 0.53 -0.46 -0.75 -0.53 0.00 0.00 176.83 176.40 1ii2 s LYS 321 N -5.06 2.56 -1.25 2.24 2.20 -1.26 -5.01 119.74 114.16 1ii2 s LYS 321 Ca -0.14 -1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 53.78 1ii2 s LYS 321 Cb 0.07 -3.79 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1ii2 s LYS 321 CO 0.73 -0.99 1.97 0.00 -0.36 0.00 0.00 175.35 176.70 1ii2 n ALA 322 N 4.90 3.97 -2.81 3.13 0.00 -1.25 -4.86 120.51 123.59 1ii2 n ALA 322 Ca -0.09 -3.65 -0.09 0.00 0.00 0.00 0.00 53.44 49.61 1ii2 n ALA 322 Cb 0.43 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 16.20 1ii2 n ALA 322 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ii2 s ILE 323 N 4.97 0.13 0.34 0.00 -4.36 -1.26 -1.31 121.20 119.71 1ii2 s ILE 323 Ca 0.54 -1.07 -0.15 0.00 -0.26 0.00 0.00 60.65 59.71 1ii2 s ILE 323 Cb 0.09 -0.55 0.06 0.00 1.25 0.00 0.00 42.46 43.30 1ii2 s ILE 323 CO 0.03 -0.59 0.77 0.00 0.24 0.00 0.00 174.94 175.40 1ii2 n ALA 324 N 1.25 -1.80 -1.00 2.27 0.00 -0.53 -5.00 120.51 115.70 1ii2 n ALA 324 Ca -0.22 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1ii2 n ALA 324 Cb 0.56 0.88 0.00 0.00 0.00 0.00 0.00 19.45 20.89 1ii2 n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ii2 n GLY 325 N -0.53 -2.60 3.70 0.00 0.00 -1.26 -0.98 105.19 103.52 1ii2 n GLY 325 Ca -0.07 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1ii2 n GLY 325 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ii2 s HIS 326 N -0.94 3.53 -0.23 1.61 3.76 -1.26 -2.88 115.29 118.88 1ii2 s HIS 326 Ca 0.00 1.56 -0.42 0.00 -0.15 0.00 0.00 55.06 56.05 1ii2 s HIS 326 Cb 0.00 -3.21 -0.18 0.00 1.11 0.00 0.00 32.58 30.30 1ii2 s HIS 326 CO 0.00 -0.39 1.52 -2.30 -0.85 0.00 0.00 174.74 172.72 1ii2 n PRO 327 N 4.42 0.61 0.05 8.40 -0.02 -1.26 -4.49 135.00 142.71 1ii2 n PRO 327 Ca 0.08 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.59 1ii2 n PRO 327 Cb 0.49 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 1ii2 n PRO 327 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ii2 h LYS 328 N 5.37 0.29 -5.26 -0.52 3.64 -0.55 -3.40 116.57 116.13 1ii2 h LYS 328 Ca -0.47 -0.49 -0.59 0.00 -1.27 0.00 0.00 60.65 57.84 1ii2 h LYS 328 Cb 1.36 0.18 -0.32 0.00 -0.41 0.00 0.00 32.23 33.04 1ii2 h LYS 328 CO 0.88 1.16 -0.85 -0.80 -2.27 0.00 0.00 179.45 177.58 1ii2 s ASN 329 N -7.04 2.33 -0.16 4.20 0.01 -1.08 -0.67 114.94 112.54 1ii2 s ASN 329 Ca -0.14 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1ii2 s ASN 329 Cb 0.06 -0.79 0.01 0.00 0.41 0.00 0.00 41.25 40.95 1ii2 s ASN 329 CO 0.84 0.14 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.68 1ii2 s VAL 330 N 0.17 2.22 -0.09 1.60 1.01 0.79 -2.25 120.40 123.85 1ii2 s VAL 330 Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1ii2 s VAL 330 Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1ii2 s VAL 330 CO 0.04 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.84 1ii2 s ILE 331 N 0.97 2.46 -0.23 2.22 1.01 -0.06 -0.64 121.20 126.93 1ii2 s ILE 331 Ca -0.03 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1ii2 s ILE 331 Cb -0.15 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1ii2 s ILE 331 CO -0.05 0.55 0.07 -0.36 0.00 0.00 0.00 174.94 175.16 1ii2 s PHE 332 N 0.11 3.14 -0.31 3.97 0.08 0.40 0.18 117.98 125.55 1ii2 s PHE 332 Ca -0.10 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1ii2 s PHE 332 Cb -0.16 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1ii2 s PHE 332 CO 0.06 -0.17 0.28 -0.51 -0.10 0.00 0.00 175.22 174.78 1ii2 s LEU 333 N 1.19 4.28 -0.28 -0.37 1.43 -0.09 -0.76 118.68 124.08 1ii2 s LEU 333 Ca 0.05 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1ii2 s LEU 333 Cb -0.14 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1ii2 s LEU 333 CO 0.03 -0.21 -0.02 0.28 0.23 0.00 0.00 176.35 176.67 1ii2 s THR 334 N 1.87 3.03 -1.35 5.49 -1.32 -0.04 -4.67 115.64 118.66 1ii2 s THR 334 Ca 0.09 -1.17 -0.13 0.00 -1.21 0.00 0.00 61.69 59.27 1ii2 s THR 334 Cb -0.16 -2.64 0.10 0.00 -1.51 0.00 0.00 72.50 68.28 1ii2 s THR 334 CO 0.11 0.04 1.96 -3.20 -2.21 0.00 0.00 174.62 171.32 1ii2 n ASN 335 N 4.66 4.55 -4.60 8.08 5.15 -1.26 -1.12 115.26 130.73 1ii2 n ASN 335 Ca -0.15 -2.95 -0.43 0.00 -0.60 0.00 0.00 54.58 50.45 1ii2 n ASN 335 Cb 0.45 -1.61 -0.02 0.00 -0.53 0.00 0.00 39.78 38.07 1ii2 n ASN 335 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ii2 s ASP 336 N 2.60 6.12 0.37 1.20 2.15 -1.26 -3.16 116.67 124.69 1ii2 s ASP 336 Ca 0.45 0.99 0.26 0.00 0.43 0.00 0.00 52.55 54.68 1ii2 s ASP 336 Cb 0.09 -2.53 0.75 0.00 -0.30 0.00 0.00 42.92 40.93 1ii2 s ASP 336 CO -0.02 -1.58 1.74 0.00 -0.17 0.00 0.00 175.17 175.13 1ii2 h ALA 337 N 11.72 1.00 0.00 3.66 0.00 -1.90 0.12 119.26 133.86 1ii2 h ALA 337 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ii2 h ALA 337 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ii2 h ALA 337 CO 1.07 0.00 -0.34 1.19 0.00 0.00 0.00 179.25 181.17 1ii2 n PHE 338 N -2.74 0.75 -1.81 0.00 3.01 -1.26 -0.32 117.46 115.09 1ii2 n PHE 338 Ca 0.04 0.22 -0.10 0.00 1.01 0.00 0.00 57.45 58.61 1ii2 n PHE 338 Cb 0.42 -0.80 -0.02 0.00 -0.01 0.00 0.00 39.48 39.07 1ii2 n PHE 338 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ii2 n GLY 339 N 1.32 0.46 0.00 1.37 0.00 -1.21 -3.89 105.19 103.24 1ii2 n GLY 339 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.60 1ii2 n GLY 339 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ii2 n VAL 340 N -3.47 0.00 -2.68 1.61 0.24 -1.26 -4.19 118.33 108.58 1ii2 n VAL 340 Ca -0.11 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.34 61.53 1ii2 n VAL 340 Cb 0.48 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.73 1ii2 n VAL 340 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ii2 s MET 341 N -2.02 4.79 0.59 7.34 -1.94 -1.26 -4.78 119.30 122.01 1ii2 s MET 341 Ca 0.03 1.56 -0.19 0.00 -1.71 0.00 0.00 55.69 55.39 1ii2 s MET 341 Cb 0.08 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1ii2 s MET 341 CO 0.42 0.42 1.19 -2.14 -0.01 0.00 0.00 175.02 174.89 1ii2 s PRO 342 N -1.12 3.02 0.43 2.03 0.02 -1.26 -4.81 135.00 133.31 1ii2 s PRO 342 Ca 0.42 1.77 0.12 0.00 0.02 0.00 0.00 61.00 63.34 1ii2 s PRO 342 Cb -0.27 -1.94 1.00 0.00 0.02 0.00 0.00 34.50 33.30 1ii2 s PRO 342 CO 0.34 -1.16 2.00 -1.35 -0.33 0.00 0.00 177.00 176.50 1ii2 h PRO 343 N 0.89 0.42 -1.94 5.54 0.11 -1.77 -2.94 132.00 132.31 1ii2 h PRO 343 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1ii2 h PRO 343 Cb 1.29 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 32.09 1ii2 h PRO 343 CO 0.55 0.28 0.18 0.54 -0.21 0.00 0.00 178.00 179.34 1ii2 s VAL 344 N -5.41 0.00 0.00 3.15 0.11 -1.25 -2.55 120.40 114.45 1ii2 s VAL 344 Ca -0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1ii2 s VAL 344 Cb 0.19 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1ii2 s VAL 344 CO 0.74 0.00 -0.00 0.00 -3.33 0.00 0.00 175.10 172.51 1ii2 s ALA 345 N 0.37 0.03 -0.38 1.54 0.00 -0.64 -4.42 121.76 118.26 1ii2 s ALA 345 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 1ii2 s ALA 345 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1ii2 s ALA 345 CO -0.00 -0.00 0.46 0.50 0.00 0.00 0.00 175.76 176.71 1ii2 s ARG 346 N -0.08 3.41 0.26 0.00 3.52 -0.37 -1.20 118.95 124.49 1ii2 s ARG 346 Ca -0.01 -0.44 -0.25 0.00 -0.13 0.00 0.00 55.73 54.90 1ii2 s ARG 346 Cb -0.01 -3.87 -0.09 0.00 -1.56 0.00 0.00 34.95 29.42 1ii2 s ARG 346 CO -0.00 -0.71 0.87 -0.51 -0.81 0.00 0.00 175.30 174.14 1ii2 s LEU 347 N 2.24 4.43 0.81 -0.88 1.43 -0.43 -4.31 118.68 121.97 1ii2 s LEU 347 Ca 0.15 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1ii2 s LEU 347 Cb -0.16 -3.74 0.11 0.00 0.03 0.00 0.00 46.19 42.42 1ii2 s LEU 347 CO 0.13 0.04 1.16 0.42 0.23 0.00 0.00 176.35 178.33 1ii2 s THR 348 N -1.45 2.09 0.25 5.49 -4.23 -1.26 -4.49 115.64 112.04 1ii2 s THR 348 Ca 0.45 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1ii2 s THR 348 Cb -0.20 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 70.93 1ii2 s THR 348 CO 0.25 0.00 1.93 0.28 -0.54 0.00 0.00 174.62 176.54 1ii2 h SER 349 N -1.04 1.16 -0.36 3.99 0.02 -1.99 0.10 113.55 115.44 1ii2 h SER 349 Ca -0.45 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.43 1ii2 h SER 349 Cb 1.30 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1ii2 h SER 349 CO 0.56 0.84 0.04 0.00 -1.14 0.00 0.00 176.83 177.13 1ii2 h ALA 350 N 1.37 0.48 -0.44 3.77 0.00 -1.95 -2.73 119.26 119.75 1ii2 h ALA 350 Ca 0.37 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1ii2 h ALA 350 Cb -0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ii2 h ALA 350 CO -0.08 0.20 -0.13 1.96 0.00 0.00 0.00 179.25 181.20 1ii2 h GLN 351 N 0.43 0.82 -0.15 0.00 4.20 -1.85 -2.59 115.11 115.97 1ii2 h GLN 351 Ca 0.11 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.57 1ii2 h GLN 351 Cb 0.39 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1ii2 h GLN 351 CO 0.01 0.91 -0.19 0.00 -0.67 0.00 0.00 178.83 178.89 1ii2 h ALA 352 N 1.11 -0.11 0.15 3.87 0.00 -0.81 0.27 119.26 123.74 1ii2 h ALA 352 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ii2 h ALA 352 Cb 0.63 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1ii2 h ALA 352 CO 0.04 -0.63 -0.34 1.98 0.00 0.00 0.00 179.25 180.30 1ii2 h MET 353 N -0.23 -0.57 0.10 0.00 1.85 -1.35 -0.03 114.93 114.71 1ii2 h MET 353 Ca 0.10 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.25 1ii2 h MET 353 Cb 0.38 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.50 1ii2 h MET 353 CO -0.28 -0.38 -0.27 0.35 -0.40 0.00 0.00 176.91 175.93 1ii2 h PHE 354 N -0.59 -0.72 -0.03 1.39 3.57 -1.05 -1.93 116.94 117.58 1ii2 h PHE 354 Ca 0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1ii2 h PHE 354 Cb 0.61 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1ii2 h PHE 354 CO -0.29 -0.37 -0.23 -1.49 -2.23 0.00 0.00 178.31 173.70 1ii2 h TRP 355 N -0.47 0.04 0.08 0.41 4.06 -0.39 -1.01 115.95 118.68 1ii2 h TRP 355 Ca 0.04 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1ii2 h TRP 355 Cb 0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1ii2 h TRP 355 CO -0.26 0.27 -0.04 0.35 -3.56 0.00 0.00 178.44 175.21 1ii2 h PHE 356 N 0.04 -0.10 -0.10 0.49 -0.00 -0.65 -2.09 116.94 114.52 1ii2 h PHE 356 Ca 0.01 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 57.83 1ii2 h PHE 356 Cb 0.44 0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.41 1ii2 h PHE 356 CO 0.00 0.30 -0.58 -0.39 -0.00 0.00 0.00 178.31 177.64 1ii2 h VAL 357 N -0.53 1.36 -0.64 1.41 -1.51 -1.28 -0.48 116.25 114.58 1ii2 h VAL 357 Ca -0.01 -1.90 -0.08 0.00 -1.23 0.00 0.00 66.70 63.48 1ii2 h VAL 357 Cb 0.45 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 1ii2 h VAL 357 CO 0.02 0.57 0.09 0.24 -1.23 0.00 0.00 177.57 177.25 1ii2 h MET 358 N 0.24 1.06 -5.97 5.19 2.86 -1.23 -3.33 114.93 113.76 1ii2 h MET 358 Ca -0.00 -0.29 -0.41 0.00 -2.06 0.00 0.00 59.70 56.94 1ii2 h MET 358 Cb 1.08 -0.12 0.09 0.00 0.06 0.00 0.00 31.60 32.71 1ii2 h MET 358 CO 0.09 0.99 -0.75 0.41 1.06 0.00 0.00 176.91 178.72 1ii2 n GLY 359 N -0.54 -0.44 3.68 8.32 0.00 -0.79 -3.54 105.19 111.88 1ii2 n GLY 359 Ca 0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ii2 n GLY 359 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ii2 s TYR 360 N -3.39 2.71 0.00 1.61 5.04 -1.26 -0.07 117.35 121.99 1ii2 s TYR 360 Ca 0.36 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.71 1ii2 s TYR 360 Cb -0.17 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1ii2 s TYR 360 CO 0.77 -2.70 0.00 -2.37 -1.34 0.00 0.00 175.55 169.91 1ii2 n THR 361 N 4.80 0.00 -3.63 4.34 5.66 -0.22 -4.55 114.28 120.68 1ii2 n THR 361 Ca 0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.01 1ii2 n THR 361 Cb 0.43 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.14 1ii2 n THR 361 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ii2 s ALA 362 N -1.00 -1.78 0.09 1.79 0.00 -1.19 -1.61 121.76 118.06 1ii2 s ALA 362 Ca 0.00 2.07 -0.24 0.00 0.00 0.00 0.00 51.96 53.79 1ii2 s ALA 362 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 1ii2 s ALA 362 CO 0.00 -0.34 0.73 -0.80 0.00 0.00 0.00 175.76 175.35 1ii2 s ASN 363 N 0.57 7.24 0.41 0.00 0.01 -0.58 -4.78 114.94 117.81 1ii2 s ASN 363 Ca -0.02 1.48 -0.02 0.00 -0.71 0.00 0.00 52.86 53.59 1ii2 s ASN 363 Cb -0.05 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1ii2 s ASN 363 CO -0.02 0.12 0.65 0.68 -1.51 0.00 0.00 177.10 177.02 1ii2 s VAL 364 N -0.58 4.96 0.00 1.60 -7.23 -1.26 -2.51 120.40 115.38 1ii2 s VAL 364 Ca 0.36 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1ii2 s VAL 364 Cb -0.21 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 32.89 1ii2 s VAL 364 CO 0.23 -0.66 0.00 -2.65 -0.31 0.00 0.00 175.10 171.71 1ii2 n PRO 365 N -1.99 1.98 -1.63 4.82 -0.02 -1.26 -5.00 135.00 131.90 1ii2 n PRO 365 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 1ii2 n PRO 365 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.01 1ii2 n PRO 365 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ii2 n THR 374 N 0.00 0.56 0.00 3.45 -1.04 -1.26 -4.54 114.28 111.46 1ii2 n THR 374 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ii2 n THR 374 Cb 0.00 -2.37 0.00 0.00 -1.82 0.00 0.00 70.33 66.14 1ii2 n THR 374 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ii2 n ALA 375 N 9.27 0.00 -2.60 2.41 0.00 -1.26 -4.83 120.51 123.49 1ii2 n ALA 375 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 1ii2 n ALA 375 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 1ii2 n ALA 375 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ii2 s ARG 376 N 0.00 3.99 0.55 0.00 3.03 -1.04 -4.89 118.95 120.59 1ii2 s ARG 376 Ca 0.00 0.12 -0.21 0.00 2.03 0.00 0.00 55.73 57.67 1ii2 s ARG 376 Cb 0.00 -3.67 -0.05 0.00 -1.03 0.00 0.00 34.95 30.20 1ii2 s ARG 376 CO 0.00 -0.34 1.24 -2.30 -1.13 0.00 0.00 175.30 172.77 1ii2 n PRO 377 N 5.44 1.47 -3.50 3.89 -0.02 -1.26 -1.53 135.00 139.49 1ii2 n PRO 377 Ca -0.07 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1ii2 n PRO 377 Cb 0.50 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1ii2 n PRO 377 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ii2 s ILE 378 N -1.34 0.00 -0.31 4.25 2.07 -0.63 -4.82 121.20 120.41 1ii2 s ILE 378 Ca 0.72 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.93 1ii2 s ILE 378 Cb -0.43 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.21 1ii2 s ILE 378 CO 0.49 0.00 0.03 -0.36 -1.91 0.00 0.00 174.94 173.19 1ii2 s PHE 379 N -2.20 3.27 -0.32 3.50 0.40 -1.26 -1.05 117.98 120.32 1ii2 s PHE 379 Ca -0.03 -1.80 0.02 0.00 -0.60 0.00 0.00 56.93 54.52 1ii2 s PHE 379 Cb -0.01 -2.18 0.08 0.00 0.51 0.00 0.00 43.02 41.43 1ii2 s PHE 379 CO -0.01 -0.79 0.02 0.45 0.70 0.00 0.00 175.22 175.58 1ii2 s SER 380 N 1.30 4.77 -0.08 1.36 0.15 0.90 -4.94 113.70 117.15 1ii2 s SER 380 Ca -0.04 -1.78 -0.36 0.00 0.70 0.00 0.00 55.95 54.46 1ii2 s SER 380 Cb -0.20 -1.65 -0.18 0.00 -1.71 0.00 0.00 66.02 62.29 1ii2 s SER 380 CO -0.00 -0.33 1.03 -1.20 1.20 0.00 0.00 173.24 173.93 1ii2 n SER 381 N 4.41 0.19 -1.54 5.45 7.64 -1.26 -0.01 113.62 128.50 1ii2 n SER 381 Ca -0.05 1.02 -0.12 0.00 1.01 0.00 0.00 58.87 60.73 1ii2 n SER 381 Cb 0.42 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.78 1ii2 n SER 381 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ii2 n PHE 383 N -2.08 -2.20 -1.92 0.00 3.01 0.99 -4.67 117.46 110.58 1ii2 n PHE 383 Ca -0.13 0.68 -0.05 0.00 1.01 0.00 0.00 57.45 58.97 1ii2 n PHE 383 Cb 0.44 -4.28 -0.04 0.00 -0.01 0.00 0.00 39.48 35.58 1ii2 n PHE 383 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ii2 n GLY 384 N -1.60 0.29 0.32 1.37 0.00 -0.29 -3.76 105.19 101.52 1ii2 n GLY 384 Ca -0.05 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.15 1ii2 n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ii2 h GLY 385 N 0.06 1.70 2.00 -0.02 0.00 -1.57 -1.04 103.07 104.20 1ii2 h GLY 385 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ii2 h GLY 385 CO -0.20 -0.43 0.00 -1.05 0.00 0.00 0.00 176.54 174.86 1ii2 n PRO 386 N -5.15 0.10 0.00 4.80 -0.02 -1.26 -3.17 135.00 130.31 1ii2 n PRO 386 Ca 0.26 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1ii2 n PRO 386 Cb 0.83 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 1ii2 n PRO 386 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ii2 n PHE 387 N -1.94 0.00 -2.10 6.00 3.01 -0.41 -4.98 117.46 117.03 1ii2 n PHE 387 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.10 1ii2 n PHE 387 Cb 0.14 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 1ii2 n PHE 387 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ii2 s LEU 388 N -2.20 3.98 -0.17 4.37 1.43 -1.09 -4.38 118.68 120.62 1ii2 s LEU 388 Ca 0.02 2.47 -0.08 0.00 -1.03 0.00 0.00 54.13 55.51 1ii2 s LEU 388 Cb 0.04 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 1ii2 s LEU 388 CO 0.19 -1.11 -0.21 0.52 0.23 0.00 0.00 176.35 175.97 1ii2 n VAL 389 N -0.61 0.91 -2.10 -1.59 0.31 -1.26 -4.83 118.33 109.17 1ii2 n VAL 389 Ca 0.08 -0.24 -0.27 0.00 -0.01 0.00 0.00 64.34 63.89 1ii2 n VAL 389 Cb 0.47 -1.67 0.10 0.00 -0.91 0.00 0.00 33.84 31.84 1ii2 n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ii2 s ARG 390 N -2.31 1.74 0.58 5.55 1.81 -1.26 -0.18 118.95 124.88 1ii2 s ARG 390 Ca -0.23 -0.27 -0.18 0.00 -1.72 0.00 0.00 55.73 53.32 1ii2 s ARG 390 Cb 0.09 -2.05 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 1ii2 s ARG 390 CO 0.30 -1.62 1.13 -1.58 -0.68 0.00 0.00 175.30 172.85 1ii2 s HIS 391 N -3.47 2.63 0.30 -0.53 5.65 -1.26 -4.63 115.29 113.98 1ii2 s HIS 391 Ca 0.64 1.54 0.05 0.00 0.25 0.00 0.00 55.06 57.55 1ii2 s HIS 391 Cb -0.09 -3.27 0.73 0.00 -1.18 0.00 0.00 32.58 28.77 1ii2 s HIS 391 CO 0.48 -1.65 1.75 0.00 -0.65 0.00 0.00 174.74 174.67 1ii2 h ALA 392 N 0.86 1.59 -0.29 1.58 0.00 -1.96 -1.00 119.26 120.03 1ii2 h ALA 392 Ca -0.49 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1ii2 h ALA 392 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ii2 h ALA 392 CO 0.56 -0.13 0.13 1.79 0.00 0.00 0.00 179.25 181.60 1ii2 h THR 393 N 0.66 1.11 -0.03 0.00 1.35 -1.94 -1.02 112.91 113.03 1ii2 h THR 393 Ca 0.57 -0.31 0.01 0.00 -0.55 0.00 0.00 66.41 66.12 1ii2 h THR 393 Cb 0.93 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1ii2 h THR 393 CO -0.42 0.12 -0.00 0.15 -0.25 0.00 0.00 175.52 175.12 1ii2 h PHE 394 N 0.41 -0.01 -0.30 4.73 3.57 -1.54 -0.81 116.94 122.99 1ii2 h PHE 394 Ca 0.10 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1ii2 h PHE 394 Cb 0.06 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1ii2 h PHE 394 CO 0.00 -0.01 -0.31 1.88 -2.23 0.00 0.00 178.31 177.64 1ii2 h TYR 395 N 0.01 0.75 -0.61 0.41 0.05 -1.51 -2.64 116.97 113.42 1ii2 h TYR 395 Ca 0.02 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 58.62 1ii2 h TYR 395 Cb 0.02 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 1ii2 h TYR 395 CO -0.10 0.88 0.38 0.78 -1.05 0.00 0.00 178.16 179.06 1ii2 h GLY 396 N 1.00 0.86 1.36 3.88 0.00 -0.86 -0.67 103.07 108.63 1ii2 h GLY 396 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1ii2 h GLY 396 CO 0.07 0.27 0.03 0.83 0.00 0.00 0.00 176.54 177.74 1ii2 h GLU 397 N 0.77 0.79 -0.19 4.80 5.08 -1.04 -1.14 114.58 123.65 1ii2 h GLU 397 Ca 0.23 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ii2 h GLU 397 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1ii2 h GLU 397 CO -0.08 0.78 0.08 1.96 -1.00 0.00 0.00 179.01 180.75 1ii2 h GLN 398 N 0.75 0.28 -0.48 2.33 4.20 -1.02 -1.98 115.11 119.18 1ii2 h GLN 398 Ca 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1ii2 h GLN 398 Cb 0.41 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1ii2 h GLN 398 CO 0.01 0.34 0.27 1.25 -0.67 0.00 0.00 178.83 180.03 1ii2 h LEU 399 N 0.16 0.60 -0.26 1.46 5.85 -0.93 -0.25 115.31 121.95 1ii2 h LEU 399 Ca 0.06 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ii2 h LEU 399 Cb 0.16 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1ii2 h LEU 399 CO -0.01 0.52 -0.00 0.00 -0.34 0.00 0.00 178.44 178.61 1ii2 h ALA 400 N 1.11 0.23 -0.39 1.25 0.00 -1.09 0.16 119.26 120.51 1ii2 h ALA 400 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ii2 h ALA 400 Cb 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ii2 h ALA 400 CO -0.03 -0.42 0.21 1.49 0.00 0.00 0.00 179.25 180.51 1ii2 h GLU 401 N 0.08 0.55 0.22 0.00 4.81 -1.08 -1.19 114.58 117.97 1ii2 h GLU 401 Ca 0.12 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ii2 h GLU 401 Cb 0.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ii2 h GLU 401 CO -0.21 0.45 -0.11 0.87 -0.73 0.00 0.00 179.01 179.29 1ii2 h LYS 402 N 0.51 -0.29 -0.55 1.92 1.79 -0.49 -1.53 116.57 117.94 1ii2 h LYS 402 Ca 0.14 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1ii2 h LYS 402 Cb 0.07 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1ii2 h LYS 402 CO -0.02 -0.18 0.13 0.52 -1.08 0.00 0.00 179.45 178.82 1ii2 h MET 403 N -0.32 0.85 -0.23 3.15 2.86 -0.66 -1.35 114.93 119.22 1ii2 h MET 403 Ca -0.03 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1ii2 h MET 403 Cb 0.24 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ii2 h MET 403 CO 0.05 0.76 0.06 0.37 1.06 0.00 0.00 176.91 179.21 1ii2 h GLN 404 N 0.81 0.37 -0.38 1.72 4.15 -1.10 0.28 115.11 120.97 1ii2 h GLN 404 Ca 0.18 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1ii2 h GLN 404 Cb 0.30 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1ii2 h GLN 404 CO -0.00 0.48 0.00 -0.22 -1.93 0.00 0.00 178.83 177.16 1ii2 h LYS 405 N 0.20 0.60 -0.57 1.69 3.64 -1.04 -3.04 116.57 118.06 1ii2 h LYS 405 Ca 0.07 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ii2 h LYS 405 Cb 0.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ii2 h LYS 405 CO 0.00 0.62 0.00 0.72 -2.27 0.00 0.00 179.45 178.52 1ii2 n HIS 406 N -4.26 0.84 -3.98 1.91 8.25 -0.53 -4.98 115.22 112.46 1ii2 n HIS 406 Ca 0.02 -0.52 -0.28 0.00 -0.26 0.00 0.00 57.72 56.68 1ii2 n HIS 406 Cb 0.26 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1ii2 n HIS 406 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ii2 n ASN 407 N 1.10 -1.49 -4.78 0.41 3.02 0.89 -4.91 115.26 109.50 1ii2 n ASN 407 Ca 0.20 -0.97 -0.37 0.00 -0.03 0.00 0.00 54.58 53.41 1ii2 n ASN 407 Cb 0.59 -3.18 -0.05 0.00 -0.61 0.00 0.00 39.78 36.53 1ii2 n ASN 407 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ii2 s SER 408 N -4.03 6.96 -0.15 6.41 0.01 -0.58 -4.97 113.70 117.34 1ii2 s SER 408 Ca 0.23 2.04 -0.15 0.00 1.31 0.00 0.00 55.95 59.38 1ii2 s SER 408 Cb -0.12 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1ii2 s SER 408 CO 0.88 -0.35 0.32 -0.13 0.41 0.00 0.00 173.24 174.38 1ii2 s ARG 409 N -2.22 4.27 -0.13 12.44 0.52 0.15 -4.91 118.95 129.08 1ii2 s ARG 409 Ca 0.54 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.86 1ii2 s ARG 409 Cb -0.23 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1ii2 s ARG 409 CO 0.29 0.22 0.01 0.08 0.02 0.00 0.00 175.30 175.93 1ii2 s VAL 410 N 0.50 4.36 0.05 3.52 1.01 -1.26 -0.15 120.40 128.44 1ii2 s VAL 410 Ca 0.18 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1ii2 s VAL 410 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ii2 s VAL 410 CO 0.05 0.54 -0.12 0.26 0.00 0.00 0.00 175.10 175.82 1ii2 s TRP 411 N -0.22 1.07 -0.21 5.22 0.52 0.19 -1.32 118.94 124.19 1ii2 s TRP 411 Ca 0.06 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.73 1ii2 s TRP 411 Cb -0.12 -0.62 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 1ii2 s TRP 411 CO 0.02 0.02 -0.09 -1.17 0.02 0.00 0.00 176.95 175.75 1ii2 s LEU 412 N -1.48 2.71 -0.14 2.99 2.96 -0.34 -0.45 118.68 124.93 1ii2 s LEU 412 Ca -0.03 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1ii2 s LEU 412 Cb -0.09 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1ii2 s LEU 412 CO 0.01 -0.02 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.09 1ii2 s LEU 413 N 1.41 2.44 -0.40 -0.68 1.43 0.06 -1.62 118.68 121.32 1ii2 s LEU 413 Ca 0.05 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 1ii2 s LEU 413 Cb -0.14 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1ii2 s LEU 413 CO -0.06 0.12 0.90 0.21 0.23 0.00 0.00 176.35 177.74 1ii2 s ASN 414 N 0.63 6.59 -0.04 2.29 2.47 -1.06 -0.86 114.94 124.97 1ii2 s ASN 414 Ca -0.09 0.37 0.16 0.00 0.42 0.00 0.00 52.86 53.72 1ii2 s ASN 414 Cb -0.16 -2.45 0.50 0.00 -1.45 0.00 0.00 41.25 37.69 1ii2 s ASN 414 CO 0.03 -0.90 1.42 0.35 -3.72 0.00 0.00 177.10 174.27 1ii2 n THR 415 N 6.10 1.26 0.00 -5.21 -2.24 -0.27 -4.79 114.28 109.12 1ii2 n THR 415 Ca 0.06 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1ii2 n THR 415 Cb 0.48 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1ii2 n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 416 N 0.85 0.74 3.63 3.38 0.00 -1.23 -4.69 105.19 107.86 1ii2 n GLY 416 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1ii2 n GLY 416 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ii2 s TYR 417 N 1.40 2.53 -0.02 1.61 2.02 0.42 -0.22 117.35 125.09 1ii2 s TYR 417 Ca 0.00 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 1ii2 s TYR 417 Cb 0.00 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1ii2 s TYR 417 CO 0.00 0.45 0.25 0.00 -1.57 0.00 0.00 175.55 174.68 1ii2 s ALA 418 N -2.57 -0.63 0.00 3.71 0.00 -0.81 -4.06 121.76 117.39 1ii2 s ALA 418 Ca 0.35 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1ii2 s ALA 418 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1ii2 s ALA 418 CO 0.19 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1ii2 n GLY 419 N 1.55 2.16 0.00 0.00 0.00 -1.26 -3.93 105.19 103.72 1ii2 n GLY 419 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ii2 n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ii2 n GLY 420 N -2.00 -1.30 3.83 -0.02 0.00 -1.26 -4.32 105.19 100.13 1ii2 n GLY 420 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1ii2 n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii2 s ARG 421 N -0.86 4.02 0.21 1.61 0.52 -1.25 -3.38 118.95 119.83 1ii2 s ARG 421 Ca 0.00 0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 55.64 1ii2 s ARG 421 Cb 0.00 -3.09 0.18 0.00 0.52 0.00 0.00 34.95 32.56 1ii2 s ARG 421 CO 0.00 0.58 1.87 0.00 0.02 0.00 0.00 175.30 177.77 1ii2 h ALA 422 N 4.11 0.97 0.00 2.13 0.00 -0.96 -1.12 119.26 124.39 1ii2 h ALA 422 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ii2 h ALA 422 Cb 1.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ii2 h ALA 422 CO 0.64 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 1ii2 n ASP 423 N -4.58 0.00 -0.38 0.00 5.68 -1.26 -1.96 116.55 114.04 1ii2 n ASP 423 Ca 0.08 -0.32 0.06 0.00 -0.50 0.00 0.00 54.79 54.11 1ii2 n ASP 423 Cb 0.04 -0.10 0.13 0.00 -1.14 0.00 0.00 41.12 40.05 1ii2 n ASP 423 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ii2 n ARG 424 N -1.10 2.51 -0.64 0.11 1.74 -0.56 -4.97 116.66 113.75 1ii2 n ARG 424 Ca 0.11 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 1ii2 n ARG 424 Cb 0.08 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1ii2 n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ii2 n GLY 425 N -0.51 0.65 3.70 -0.13 0.00 -0.83 -4.91 105.19 103.17 1ii2 n GLY 425 Ca 0.12 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1ii2 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 426 N -2.00 1.83 0.26 4.61 0.00 -0.53 -5.00 121.76 120.92 1ii2 s ALA 426 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1ii2 s ALA 426 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1ii2 s ALA 426 CO 0.00 -2.30 0.59 0.15 0.00 0.00 0.00 175.76 174.21 1ii2 s LYS 427 N -4.25 3.83 0.50 0.00 1.02 -1.25 -4.77 119.74 114.82 1ii2 s LYS 427 Ca 0.71 0.34 -0.20 0.00 0.02 0.00 0.00 55.97 56.85 1ii2 s LYS 427 Cb -0.27 -2.59 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1ii2 s LYS 427 CO 0.51 0.27 1.05 0.50 -0.92 0.00 0.00 175.35 176.76 1ii2 s ARG 428 N -2.94 3.70 0.02 1.68 3.52 -1.26 -1.93 118.95 121.74 1ii2 s ARG 428 Ca 0.49 1.37 -0.32 0.00 -0.13 0.00 0.00 55.73 57.13 1ii2 s ARG 428 Cb -0.11 -2.08 -0.11 0.00 -1.56 0.00 0.00 34.95 31.09 1ii2 s ARG 428 CO 0.21 -0.52 1.87 -0.12 -0.81 0.00 0.00 175.30 175.94 1ii2 n MET 429 N -1.11 2.51 -1.66 5.12 0.00 0.69 -4.69 117.12 117.98 1ii2 n MET 429 Ca 0.09 0.92 -0.49 0.00 -0.00 0.00 0.00 57.70 58.23 1ii2 n MET 429 Cb 0.52 -2.80 -0.05 0.00 0.00 0.00 0.00 33.22 30.89 1ii2 n MET 429 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1ii2 n PRO 430 N 6.38 1.87 -0.05 2.12 -0.02 -1.26 -4.85 135.00 139.20 1ii2 n PRO 430 Ca 0.20 0.68 0.07 0.00 -2.02 0.00 0.00 63.50 62.43 1ii2 n PRO 430 Cb 0.34 -2.44 0.44 0.00 -0.02 0.00 0.00 33.50 31.83 1ii2 n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ii2 h LEU 431 N 6.64 0.46 -1.22 2.45 5.85 -1.99 -1.14 115.31 126.36 1ii2 h LEU 431 Ca -0.46 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ii2 h LEU 431 Cb 1.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1ii2 h LEU 431 CO 0.89 0.31 0.42 -0.09 -0.34 0.00 0.00 178.44 179.63 1ii2 h ARG 432 N 0.53 0.94 -0.25 1.25 2.43 -1.99 -1.20 114.38 116.09 1ii2 h ARG 432 Ca 0.21 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1ii2 h ARG 432 Cb 0.18 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1ii2 h ARG 432 CO -0.06 0.67 -0.13 0.28 -1.51 0.00 0.00 179.97 179.22 1ii2 h VAL 433 N 0.96 1.30 -0.56 0.20 2.07 -1.56 -1.48 116.25 117.18 1ii2 h VAL 433 Ca 0.25 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ii2 h VAL 433 Cb -0.03 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1ii2 h VAL 433 CO -0.05 0.38 0.30 0.74 0.02 0.00 0.00 177.57 178.97 1ii2 h THR 434 N 0.26 1.19 -0.72 2.57 2.02 -1.17 -0.55 112.91 116.50 1ii2 h THR 434 Ca 0.06 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1ii2 h THR 434 Cb 0.64 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1ii2 h THR 434 CO 0.04 0.21 0.23 0.03 0.37 0.00 0.00 175.52 176.39 1ii2 h ARG 435 N 0.76 1.12 -0.85 6.66 3.08 -1.21 -0.46 114.38 123.49 1ii2 h ARG 435 Ca 0.20 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ii2 h ARG 435 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1ii2 h ARG 435 CO -0.03 0.95 0.49 0.00 -1.07 0.00 0.00 179.97 180.31 1ii2 h ALA 436 N 1.17 1.08 -0.45 0.04 0.00 -0.76 0.06 119.26 120.39 1ii2 h ALA 436 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ii2 h ALA 436 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ii2 h ALA 436 CO -0.01 0.56 0.11 0.82 0.00 0.00 0.00 179.25 180.74 1ii2 h ILE 437 N 1.17 1.23 -0.62 0.00 2.04 -0.51 -1.65 117.51 119.18 1ii2 h ILE 437 Ca 0.30 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1ii2 h ILE 437 Cb -0.01 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1ii2 h ILE 437 CO -0.05 0.29 0.20 0.40 0.00 0.00 0.00 178.15 178.98 1ii2 h ILE 438 N 0.60 1.23 -0.28 -0.67 2.04 -0.51 -0.05 117.51 119.88 1ii2 h ILE 438 Ca 0.14 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1ii2 h ILE 438 Cb 0.32 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1ii2 h ILE 438 CO 0.00 0.30 -0.13 0.44 0.00 0.00 0.00 178.15 178.76 1ii2 h ASP 439 N 0.91 0.46 0.51 1.72 3.32 -0.74 -0.42 116.42 122.17 1ii2 h ASP 439 Ca 0.20 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1ii2 h ASP 439 Cb 0.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ii2 h ASP 439 CO -0.01 0.63 -0.54 0.00 -1.72 0.00 0.00 179.24 177.59 1ii2 h ALA 440 N 1.42 1.08 -0.16 3.45 0.00 -0.33 0.20 119.26 124.91 1ii2 h ALA 440 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1ii2 h ALA 440 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ii2 h ALA 440 CO 0.03 0.68 -0.43 0.82 0.00 0.00 0.00 179.25 180.35 1ii2 h ILE 441 N 0.03 1.34 0.00 0.00 2.04 -0.38 -1.94 117.51 118.61 1ii2 h ILE 441 Ca -0.00 -1.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.11 1ii2 h ILE 441 Cb 0.97 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1ii2 h ILE 441 CO 0.07 0.52 -0.27 0.45 0.00 0.00 0.00 178.15 178.92 1ii2 h HIS 442 N 0.23 0.00 0.00 1.37 3.86 -0.86 -3.01 115.15 116.74 1ii2 h HIS 442 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ii2 h HIS 442 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1ii2 h HIS 442 CO 0.10 0.27 -0.28 -0.40 0.86 0.00 0.00 177.93 178.48 1ii2 n ASP 443 N -3.30 0.32 0.00 2.45 5.68 0.69 -4.93 116.55 117.46 1ii2 n ASP 443 Ca 0.01 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1ii2 n ASP 443 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1ii2 n ASP 443 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ii2 n GLY 444 N 1.48 1.75 0.15 6.12 0.00 -1.13 -4.92 105.19 108.64 1ii2 n GLY 444 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1ii2 n GLY 444 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ii2 h THR 445 N 0.00 1.32 -0.57 2.61 1.35 -1.80 -3.15 112.91 112.65 1ii2 h THR 445 Ca 0.00 -1.22 0.08 0.00 -0.55 0.00 0.00 66.41 64.73 1ii2 h THR 445 Cb 0.00 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1ii2 h THR 445 CO 0.00 0.37 0.38 0.25 -0.25 0.00 0.00 175.52 176.27 1ii2 h LEU 446 N 0.12 0.39 0.00 3.87 6.46 -1.67 0.21 115.31 124.68 1ii2 h LEU 446 Ca 0.04 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1ii2 h LEU 446 Cb 0.63 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1ii2 h LEU 446 CO 0.03 0.24 0.00 -0.67 -0.62 0.00 0.00 178.44 177.43 1ii2 n ASP 447 N -4.47 0.00 -0.00 1.25 4.64 -1.19 -3.46 116.55 113.32 1ii2 n ASP 447 Ca 0.09 0.42 0.04 0.00 -1.38 0.00 0.00 54.79 53.96 1ii2 n ASP 447 Cb 0.32 -0.47 -0.05 0.00 -1.04 0.00 0.00 41.12 39.88 1ii2 n ASP 447 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1ii2 n ARG 448 N -1.47 3.00 -1.22 -0.67 1.74 -0.03 -5.04 116.66 112.97 1ii2 n ARG 448 Ca 0.07 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 1ii2 n ARG 448 Cb 0.27 -0.99 0.21 0.00 -1.02 0.00 0.00 32.46 30.93 1ii2 n ARG 448 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ii2 s THR 449 N -2.04 1.79 0.08 0.55 2.01 -0.67 -5.03 115.64 112.34 1ii2 s THR 449 Ca 0.01 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 1ii2 s THR 449 Cb 0.06 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.94 1ii2 s THR 449 CO 0.34 0.00 0.56 -0.70 -0.69 0.00 0.00 174.62 174.13 1ii2 s GLU 450 N -5.31 4.14 0.26 4.92 2.12 -1.26 -5.02 118.70 118.55 1ii2 s GLU 450 Ca 0.69 0.67 0.10 0.00 0.36 0.00 0.00 54.97 56.80 1ii2 s GLU 450 Cb -0.12 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1ii2 s GLU 450 CO 0.56 0.61 -0.08 0.71 -0.54 0.00 0.00 175.26 176.52 1ii2 s TYR 451 N -1.18 2.56 0.09 5.30 1.51 -1.26 -1.56 117.35 122.81 1ii2 s TYR 451 Ca 0.30 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1ii2 s TYR 451 Cb -0.18 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1ii2 s TYR 451 CO 0.19 0.64 -0.10 -1.83 -1.11 0.00 0.00 175.55 173.34 1ii2 s GLU 452 N -3.54 0.82 0.02 -0.62 -1.05 0.18 -4.86 118.70 109.65 1ii2 s GLU 452 Ca 0.30 -1.11 -0.23 0.00 -0.15 0.00 0.00 54.97 53.79 1ii2 s GLU 452 Cb -0.06 -0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 33.02 1ii2 s GLU 452 CO 0.18 0.09 0.68 -2.00 0.95 0.00 0.00 175.26 175.16 1ii2 s GLU 453 N -2.60 4.41 -0.60 -4.83 2.12 -1.26 -0.45 118.70 115.49 1ii2 s GLU 453 Ca 0.04 0.90 -0.21 0.00 0.36 0.00 0.00 54.97 56.06 1ii2 s GLU 453 Cb -0.04 -3.35 0.08 0.00 0.26 0.00 0.00 34.13 31.08 1ii2 s GLU 453 CO 0.00 0.33 0.81 -0.47 -0.54 0.00 0.00 175.26 175.39 1ii2 s TYR 454 N -0.13 2.87 0.21 5.30 5.04 0.10 -4.93 117.35 125.81 1ii2 s TYR 454 Ca 0.35 -0.69 -0.23 0.00 -2.44 0.00 0.00 57.07 54.06 1ii2 s TYR 454 Cb -0.19 -4.06 -0.15 0.00 0.35 0.00 0.00 41.96 37.91 1ii2 s TYR 454 CO 0.20 -1.40 0.38 -2.30 -1.34 0.00 0.00 175.55 171.10 1ii2 n PRO 455 N 6.91 0.00 0.00 4.97 -0.02 -1.26 -0.62 135.00 144.98 1ii2 n PRO 455 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1ii2 n PRO 455 Cb 0.44 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1ii2 n PRO 455 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ii2 n GLY 456 N 1.79 1.32 0.20 -1.23 0.00 -1.26 -4.30 105.19 101.71 1ii2 n GLY 456 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1ii2 n GLY 456 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ii2 h TRP 457 N 0.00 0.25 0.00 1.61 4.06 -1.63 -0.95 115.95 119.29 1ii2 h TRP 457 Ca 0.00 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1ii2 h TRP 457 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.10 1ii2 h TRP 457 CO 0.00 0.56 0.00 0.41 -3.56 0.00 0.00 178.44 175.85 1ii2 n GLY 458 N -0.32 0.47 3.78 1.49 0.00 0.21 -4.67 105.19 106.15 1ii2 n GLY 458 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1ii2 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 459 N 0.00 4.05 -0.42 0.99 1.43 -1.22 -4.73 118.68 118.77 1ii2 s LEU 459 Ca 0.00 2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 1ii2 s LEU 459 Cb 0.00 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.98 1ii2 s LEU 459 CO 0.00 -0.69 0.35 -1.00 0.23 0.00 0.00 176.35 175.24 1ii2 s HIS 460 N -1.67 3.22 0.08 0.29 3.76 -1.26 0.01 115.29 119.72 1ii2 s HIS 460 Ca 0.61 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.98 1ii2 s HIS 460 Cb -0.23 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1ii2 s HIS 460 CO 0.29 -0.65 0.07 0.96 -0.85 0.00 0.00 174.74 174.56 1ii2 s ILE 461 N 1.82 4.49 0.32 0.60 -4.36 0.41 -1.24 121.20 123.23 1ii2 s ILE 461 Ca 0.07 -0.77 -0.27 0.00 -0.26 0.00 0.00 60.65 59.42 1ii2 s ILE 461 Cb -0.19 -3.15 -0.09 0.00 1.25 0.00 0.00 42.46 40.27 1ii2 s ILE 461 CO 0.11 0.14 1.02 -2.16 0.24 0.00 0.00 174.94 174.28 1ii2 s PRO 462 N -2.34 4.51 0.32 0.37 0.04 -1.26 0.48 135.00 137.12 1ii2 s PRO 462 Ca 0.29 1.54 0.17 0.00 0.04 0.00 0.00 61.00 63.04 1ii2 s PRO 462 Cb -0.12 -2.90 0.35 0.00 0.04 0.00 0.00 34.50 31.87 1ii2 s PRO 462 CO 0.21 0.16 1.58 0.87 0.04 0.00 0.00 177.00 179.86 1ii2 h LYS 463 N 3.28 0.00 -2.99 4.56 1.57 -1.62 -3.46 116.57 117.92 1ii2 h LYS 463 Ca -0.47 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 1ii2 h LYS 463 Cb 1.21 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.30 1ii2 h LYS 463 CO 0.65 0.45 -0.29 -0.47 -0.57 0.00 0.00 179.45 179.22 1ii2 s TYR 464 N -3.24 -0.25 -0.18 -1.35 6.14 -1.26 -4.93 117.35 112.28 1ii2 s TYR 464 Ca 0.02 0.49 -0.08 0.00 0.64 0.00 0.00 57.07 58.15 1ii2 s TYR 464 Cb 0.09 0.11 0.07 0.00 0.42 0.00 0.00 41.96 42.65 1ii2 s TYR 464 CO 0.72 -0.32 0.41 0.08 0.64 0.00 0.00 175.55 177.08 1ii2 s VAL 465 N -0.80 -0.32 0.13 3.14 1.01 -1.26 -4.90 120.40 117.41 1ii2 s VAL 465 Ca -0.09 0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.68 1ii2 s VAL 465 Cb -0.04 -0.63 -0.15 0.00 0.00 0.00 0.00 36.38 35.55 1ii2 s VAL 465 CO 0.03 0.06 1.44 0.00 0.00 0.00 0.00 175.10 176.62 1ii2 n ALA 466 N 4.81 0.20 -0.82 5.51 0.00 -1.26 -1.28 120.51 127.66 1ii2 n ALA 466 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ii2 n ALA 466 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1ii2 n ALA 466 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ii2 n LYS 467 N 2.84 0.00 -4.57 0.00 4.76 -1.26 -4.79 118.16 115.14 1ii2 n LYS 467 Ca 0.17 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.28 1ii2 n LYS 467 Cb 0.24 -2.69 -0.14 0.00 -1.84 0.00 0.00 35.03 30.60 1ii2 n LYS 467 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ii2 s VAL 468 N -3.45 3.03 0.25 -0.18 1.01 -0.41 -4.90 120.40 115.76 1ii2 s VAL 468 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 1ii2 s VAL 468 Cb 0.00 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 1ii2 s VAL 468 CO 0.00 0.51 1.63 -2.84 0.00 0.00 0.00 175.10 174.39 1ii2 s PRO 469 N 0.63 4.14 0.30 2.72 0.02 -1.26 -4.55 135.00 137.00 1ii2 s PRO 469 Ca -0.07 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 1ii2 s PRO 469 Cb -0.15 -3.06 0.46 0.00 0.02 0.00 0.00 34.50 31.77 1ii2 s PRO 469 CO 0.03 -0.66 1.95 1.05 -0.33 0.00 0.00 177.00 179.03 1ii2 h GLU 470 N 5.70 1.07 0.00 5.54 9.09 -1.94 -1.24 114.58 132.80 1ii2 h GLU 470 Ca -0.45 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1ii2 h GLU 470 Cb 1.21 -0.24 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1ii2 h GLU 470 CO 0.86 0.71 0.00 -2.39 0.05 0.00 0.00 179.01 178.24 1ii2 n HIS 471 N -4.44 0.48 -0.02 2.06 1.44 -1.26 -2.12 115.22 111.37 1ii2 n HIS 471 Ca 0.11 0.22 -0.22 0.00 -2.01 0.00 0.00 57.72 55.82 1ii2 n HIS 471 Cb 0.09 -0.85 -0.13 0.00 0.12 0.00 0.00 29.99 29.21 1ii2 n HIS 471 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ii2 h LEU 472 N 0.00 0.33 -0.92 2.39 3.38 -1.59 -2.55 115.31 116.34 1ii2 h LEU 472 Ca 0.00 -0.85 0.21 0.00 0.09 0.00 0.00 57.88 57.33 1ii2 h LEU 472 Cb 0.15 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.68 1ii2 h LEU 472 CO 0.00 1.77 0.47 -0.07 0.09 0.00 0.00 178.44 180.70 1ii2 h LEU 473 N -0.19 0.48 -7.93 1.67 3.38 -1.23 -3.23 115.31 108.26 1ii2 h LEU 473 Ca -0.40 0.13 -0.71 0.00 0.09 0.00 0.00 57.88 56.99 1ii2 h LEU 473 Cb 1.86 0.07 -0.31 0.00 0.09 0.00 0.00 40.66 42.37 1ii2 h LEU 473 CO 0.02 0.08 -0.48 0.21 0.09 0.00 0.00 178.44 178.36 1ii2 s ASN 474 N -5.24 5.48 0.38 -0.43 3.84 -1.21 -4.44 114.94 113.32 1ii2 s ASN 474 Ca -0.11 -1.88 0.23 0.00 0.21 0.00 0.00 52.86 51.30 1ii2 s ASN 474 Cb 0.25 -1.92 1.36 0.00 -0.55 0.00 0.00 41.25 40.39 1ii2 s ASN 474 CO 0.79 -0.59 1.58 -0.65 -2.79 0.00 0.00 177.10 175.43 1ii2 h PRO 475 N 8.26 0.01 -0.90 0.43 0.11 -1.78 0.12 132.00 138.26 1ii2 h PRO 475 Ca -0.18 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.09 1ii2 h PRO 475 Cb 1.06 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.07 1ii2 h PRO 475 CO 0.77 0.01 0.48 -0.09 -0.21 0.00 0.00 178.00 178.96 1ii2 h ARG 476 N 0.01 0.63 0.00 1.05 2.43 -1.91 -0.64 114.38 115.96 1ii2 h ARG 476 Ca 0.85 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.97 1ii2 h ARG 476 Cb 2.32 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.73 1ii2 h ARG 476 CO -0.72 0.42 -0.06 0.87 -1.51 0.00 0.00 179.97 178.97 1ii2 h LYS 477 N 0.65 0.00 0.00 0.20 1.57 -0.92 -3.06 116.57 115.01 1ii2 h LYS 477 Ca 0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1ii2 h LYS 477 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1ii2 h LYS 477 CO -0.38 0.06 -0.20 0.00 -0.57 0.00 0.00 179.45 178.36 1ii2 h ALA 478 N 1.94 0.89 -2.58 3.86 0.00 -0.66 -3.46 119.26 119.25 1ii2 h ALA 478 Ca -0.00 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.27 1ii2 h ALA 478 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ii2 h ALA 478 CO 0.01 0.13 0.23 -1.58 0.00 0.00 0.00 179.25 178.03 1ii2 s TRP 479 N -3.17 3.67 0.01 0.00 0.52 -1.16 -4.37 118.94 114.45 1ii2 s TRP 479 Ca 0.06 1.52 -0.24 0.00 0.02 0.00 0.00 56.10 57.46 1ii2 s TRP 479 Cb 0.06 -2.94 -0.17 0.00 -1.15 0.00 0.00 33.47 29.27 1ii2 s TRP 479 CO 0.70 0.12 1.33 1.57 0.02 0.00 0.00 176.95 180.69 1ii2 h LYS 480 N 6.33 0.13 -4.52 4.98 -0.00 -1.88 -3.40 116.57 118.22 1ii2 h LYS 480 Ca -0.42 -0.06 -0.72 0.00 -0.00 0.00 0.00 60.65 59.44 1ii2 h LYS 480 Cb 1.21 -0.00 -0.21 0.00 -0.00 0.00 0.00 32.23 33.23 1ii2 h LYS 480 CO 0.74 0.54 -0.29 0.34 -0.00 0.00 0.00 179.45 180.78 1ii2 s ASP 481 N -5.81 6.15 0.51 7.07 -1.08 -1.26 -4.93 116.67 117.32 1ii2 s ASP 481 Ca -0.15 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 50.97 1ii2 s ASP 481 Cb 0.03 -2.20 1.23 0.00 -1.46 0.00 0.00 42.92 40.52 1ii2 s ASP 481 CO 0.70 -0.62 2.12 1.62 0.52 0.00 0.00 175.17 179.51 1ii2 h VAL 482 N 5.73 1.01 -0.48 1.11 3.04 -1.93 -1.94 116.25 122.80 1ii2 h VAL 482 Ca -0.28 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.24 1ii2 h VAL 482 Cb 1.11 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 1ii2 h VAL 482 CO 0.84 0.04 0.17 -0.09 -1.01 0.00 0.00 177.57 177.52 1ii2 h ARG 483 N 0.00 0.72 -0.23 4.17 2.43 -1.97 -1.46 114.38 118.03 1ii2 h ARG 483 Ca -0.00 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1ii2 h ARG 483 Cb 0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1ii2 h ARG 483 CO 0.01 0.66 -0.29 1.96 -1.51 0.00 0.00 179.97 180.80 1ii2 h GLN 484 N 0.63 0.46 -0.27 0.20 4.20 -1.79 -2.14 115.11 116.40 1ii2 h GLN 484 Ca 0.16 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ii2 h GLN 484 Cb 0.22 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1ii2 h GLN 484 CO -0.01 0.71 0.13 0.35 -0.67 0.00 0.00 178.83 179.34 1ii2 h PHE 485 N 0.40 0.38 -0.73 2.96 3.04 -0.98 -0.83 116.94 121.19 1ii2 h PHE 485 Ca 0.05 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1ii2 h PHE 485 Cb 0.71 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1ii2 h PHE 485 CO 0.02 0.34 0.19 -0.91 -2.02 0.00 0.00 178.31 175.94 1ii2 h ASN 486 N 0.30 1.09 -0.34 0.41 2.35 -1.13 0.04 115.58 118.30 1ii2 h ASN 486 Ca 0.09 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1ii2 h ASN 486 Cb 0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1ii2 h ASN 486 CO -0.01 1.03 0.15 -0.08 -1.65 0.00 0.00 177.43 176.86 1ii2 h GLU 487 N 1.09 0.51 -0.39 0.81 4.81 -1.18 0.56 114.58 120.79 1ii2 h GLU 487 Ca 0.23 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1ii2 h GLU 487 Cb 0.35 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ii2 h GLU 487 CO -0.00 0.49 -0.24 1.15 -0.73 0.00 0.00 179.01 179.68 1ii2 h THR 488 N 0.41 1.28 -0.70 0.32 2.02 -1.03 -1.96 112.91 113.25 1ii2 h THR 488 Ca 0.12 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 1ii2 h THR 488 Cb 0.16 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1ii2 h THR 488 CO -0.01 0.46 0.26 0.28 0.37 0.00 0.00 175.52 176.88 1ii2 h SER 489 N 0.66 0.98 -0.64 4.18 0.02 -0.84 -0.54 113.55 117.36 1ii2 h SER 489 Ca 0.08 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1ii2 h SER 489 Cb 0.80 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1ii2 h SER 489 CO 0.07 0.90 0.29 0.50 -1.14 0.00 0.00 176.83 177.44 1ii2 h LYS 490 N 1.00 0.94 -0.21 3.45 3.64 -0.80 -0.19 116.57 124.41 1ii2 h LYS 490 Ca 0.23 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ii2 h LYS 490 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ii2 h LYS 490 CO -0.02 0.76 0.10 1.49 -2.27 0.00 0.00 179.45 179.52 1ii2 h GLU 491 N 0.89 0.29 -0.58 1.90 4.81 -0.88 -1.74 114.58 119.28 1ii2 h GLU 491 Ca 0.22 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1ii2 h GLU 491 Cb 0.15 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1ii2 h GLU 491 CO -0.02 0.31 -0.02 1.25 -0.73 0.00 0.00 179.01 179.79 1ii2 h LEU 492 N 0.21 1.02 -0.64 1.64 5.85 -0.90 -1.84 115.31 120.65 1ii2 h LEU 492 Ca 0.07 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ii2 h LEU 492 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1ii2 h LEU 492 CO -0.01 1.09 0.40 0.58 -0.34 0.00 0.00 178.44 180.16 1ii2 h VAL 493 N 0.93 1.10 -0.94 1.05 2.07 -0.93 -0.22 116.25 119.31 1ii2 h VAL 493 Ca 0.16 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ii2 h VAL 493 Cb 0.57 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1ii2 h VAL 493 CO 0.03 0.14 0.62 0.00 0.02 0.00 0.00 177.57 178.39 1ii2 h ALA 494 N 1.27 1.37 -0.59 1.67 0.00 -1.02 -0.13 119.26 121.83 1ii2 h ALA 494 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ii2 h ALA 494 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1ii2 h ALA 494 CO -0.09 0.55 0.16 0.52 0.00 0.00 0.00 179.25 180.38 1ii2 h MET 495 N 1.21 0.93 -0.41 0.00 2.07 -0.36 -1.09 114.93 117.28 1ii2 h MET 495 Ca 0.36 -0.22 -0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1ii2 h MET 495 Cb -0.05 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.54 1ii2 h MET 495 CO -0.10 0.85 0.20 0.74 1.07 0.00 0.00 176.91 179.68 1ii2 h PHE 496 N 0.84 0.58 -0.65 -0.22 -1.00 -0.27 -1.16 116.94 115.05 1ii2 h PHE 496 Ca 0.19 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 1ii2 h PHE 496 Cb 0.33 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1ii2 h PHE 496 CO 0.02 0.47 0.32 1.96 -1.61 0.00 0.00 178.31 179.47 1ii2 h GLN 497 N 0.52 0.94 -0.33 1.51 4.20 -0.75 -0.54 115.11 120.67 1ii2 h GLN 497 Ca 0.14 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1ii2 h GLN 497 Cb 0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ii2 h GLN 497 CO -0.02 0.75 0.03 0.93 -0.67 0.00 0.00 178.83 179.85 1ii2 h GLU 498 N 0.90 0.56 -0.18 1.46 5.08 -1.08 -0.06 114.58 121.26 1ii2 h GLU 498 Ca 0.22 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1ii2 h GLU 498 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ii2 h GLU 498 CO -0.03 0.67 0.05 1.03 -1.00 0.00 0.00 179.01 179.72 1ii2 h SER 499 N 0.38 0.04 -0.43 1.42 0.87 -1.00 -1.06 113.55 113.75 1ii2 h SER 499 Ca 0.10 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1ii2 h SER 499 Cb 0.40 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1ii2 h SER 499 CO 0.01 0.05 0.24 0.15 -0.53 0.00 0.00 176.83 176.75 1ii2 h PHE 500 N 0.12 0.60 -0.58 2.24 3.57 -0.99 0.99 116.94 122.89 1ii2 h PHE 500 Ca 0.08 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1ii2 h PHE 500 Cb 0.06 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1ii2 h PHE 500 CO -0.13 0.45 0.30 0.77 -2.23 0.00 0.00 178.31 177.47 1ii2 h SER 501 N 0.57 0.72 0.19 0.41 0.02 -0.70 0.18 113.55 114.92 1ii2 h SER 501 Ca 0.15 -0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.73 1ii2 h SER 501 Cb 0.05 -0.18 0.03 0.00 0.14 0.00 0.00 62.40 62.44 1ii2 h SER 501 CO -0.02 0.60 -1.36 0.00 -1.14 0.00 0.00 176.83 174.90 1ii2 h ALA 502 N 1.52 -0.09 0.08 3.77 0.00 -0.90 -3.38 119.26 120.27 1ii2 h ALA 502 Ca 0.20 -0.81 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 1ii2 h ALA 502 Cb 0.05 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ii2 h ALA 502 CO -0.03 0.69 -2.04 0.54 0.00 0.00 0.00 179.25 178.40 1ii2 n ARG 503 N -3.76 0.72 0.00 0.00 1.74 0.32 -4.84 116.66 110.84 1ii2 n ARG 503 Ca -0.15 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1ii2 n ARG 503 Cb 1.04 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1ii2 n ARG 503 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ii2 n PHE 504 N -3.35 0.00 -0.33 -1.55 3.01 0.47 -4.91 117.46 110.80 1ii2 n PHE 504 Ca -0.32 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.05 1ii2 n PHE 504 Cb 1.04 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.43 1ii2 n PHE 504 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ii2 h ALA 505 N 0.00 -0.50 -0.97 4.37 0.00 -1.32 0.18 119.26 121.02 1ii2 h ALA 505 Ca 0.00 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.31 1ii2 h ALA 505 Cb 0.00 1.29 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 1ii2 h ALA 505 CO 0.00 -0.85 0.25 0.00 0.00 0.00 0.00 179.25 178.66 1ii2 h ALA 506 N 0.22 1.53 -0.20 0.00 0.00 -1.87 -1.10 119.26 117.84 1ii2 h ALA 506 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ii2 h ALA 506 Cb 0.37 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ii2 h ALA 506 CO -0.77 -0.66 0.00 1.63 0.00 0.00 0.00 179.25 179.46 1ii2 n LYS 507 N -5.34 1.98 -1.89 0.00 5.02 -0.89 -5.04 118.16 112.01 1ii2 n LYS 507 Ca 0.28 -1.66 -0.39 0.00 -2.02 0.00 0.00 58.31 54.52 1ii2 n LYS 507 Cb 0.91 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.72 1ii2 n LYS 507 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ii2 s ALA 508 N -0.93 3.02 0.83 7.82 0.00 0.57 -5.03 121.76 128.04 1ii2 s ALA 508 Ca 0.17 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.34 1ii2 s ALA 508 Cb 0.10 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.82 1ii2 s ALA 508 CO 0.13 -1.15 1.16 -1.54 0.00 0.00 0.00 175.76 174.36 1ii2 s SER 509 N -0.84 3.89 0.11 0.00 1.04 -1.26 -4.88 113.70 111.75 1ii2 s SER 509 Ca 0.65 0.15 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 1ii2 s SER 509 Cb -0.40 -0.43 -0.10 0.00 0.10 0.00 0.00 66.02 65.19 1ii2 s SER 509 CO 0.49 -2.21 1.74 -0.61 0.98 0.00 0.00 173.24 173.63 1ii2 h GLN 510 N -1.08 0.19 -0.92 4.02 4.15 -2.00 -2.35 115.11 117.12 1ii2 h GLN 510 Ca -0.42 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1ii2 h GLN 510 Cb 1.27 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1ii2 h GLN 510 CO 0.45 0.16 0.59 0.93 -1.93 0.00 0.00 178.83 179.02 1ii2 h GLU 511 N 0.16 1.22 0.27 1.69 5.08 -1.99 -2.40 114.58 118.62 1ii2 h GLU 511 Ca 0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1ii2 h GLU 511 Cb 0.01 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1ii2 h GLU 511 CO -0.01 0.83 -0.13 0.52 -1.00 0.00 0.00 179.01 179.22 1ii2 h MET 512 N 1.25 -0.35 -0.94 2.33 2.86 -1.83 -2.27 114.93 115.99 1ii2 h MET 512 Ca 0.33 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.07 1ii2 h MET 512 Cb -0.11 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 1ii2 h MET 512 CO -0.07 -0.18 0.61 0.87 1.06 0.00 0.00 176.91 179.20 1ii2 h LYS 513 N -0.42 1.03 0.00 1.72 1.57 -1.30 -0.55 116.57 118.62 1ii2 h LYS 513 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ii2 h LYS 513 Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ii2 h LYS 513 CO 0.06 0.68 0.00 0.77 -0.57 0.00 0.00 179.45 180.39 1ii2 h SER 514 N 1.06 0.00 0.61 0.86 0.02 -1.24 -2.66 113.55 112.20 1ii2 h SER 514 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1ii2 h SER 514 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1ii2 h SER 514 CO -0.16 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.12 1ii2 n ALA 515 N -1.83 3.29 -1.99 3.77 0.00 -0.22 -4.85 120.51 118.67 1ii2 n ALA 515 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1ii2 n ALA 515 Cb 0.28 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1ii2 n ALA 515 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ii2 s VAL 516 N -3.01 3.30 0.79 0.00 1.01 -1.01 -4.95 120.40 116.54 1ii2 s VAL 516 Ca 0.11 0.64 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1ii2 s VAL 516 Cb 0.18 -3.41 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1ii2 s VAL 516 CO 0.67 -0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.77 1ii2 s PRO 517 N 3.03 1.79 0.16 2.72 0.04 -1.26 -5.04 135.00 136.43 1ii2 s PRO 517 Ca 0.72 1.64 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1ii2 s PRO 517 Cb -0.37 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1ii2 s PRO 517 CO 0.31 -2.08 -0.14 1.03 0.04 0.00 0.00 177.00 176.16 1ii2 s ARG 518 N -4.24 1.16 -0.26 4.56 3.00 -0.36 -4.86 118.95 117.95 1ii2 s ARG 518 Ca 0.71 -1.40 -0.19 0.00 0.00 0.00 0.00 55.73 54.84 1ii2 s ARG 518 Cb -0.26 -0.99 -0.02 0.00 0.00 0.00 0.00 34.95 33.67 1ii2 s ARG 518 CO 0.50 0.18 0.58 -0.47 0.00 0.00 0.00 175.30 176.09 1ii2 s TYR 519 N -2.55 3.27 -0.33 -0.53 5.04 -1.26 -3.83 117.35 117.15 1ii2 s TYR 519 Ca 0.15 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1ii2 s TYR 519 Cb -0.03 -2.80 0.09 0.00 0.35 0.00 0.00 41.96 39.57 1ii2 s TYR 519 CO 0.04 -0.32 0.04 0.08 -1.34 0.00 0.00 175.55 174.05 1ii2 s VAL 520 N 2.43 2.35 0.17 3.14 1.01 -1.26 -4.97 120.40 123.27 1ii2 s VAL 520 Ca 0.24 -2.22 -0.32 0.00 0.00 0.00 0.00 61.98 59.68 1ii2 s VAL 520 Cb -0.15 -2.68 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 1ii2 s VAL 520 CO 0.09 -0.53 1.76 -0.70 0.00 0.00 0.00 175.10 175.73 1ii2 s GLU 521 N 0.95 4.13 -0.28 2.72 2.12 -1.26 -4.82 118.70 122.27 1ii2 s GLU 521 Ca 0.08 2.59 -0.29 0.00 0.36 0.00 0.00 54.97 57.71 1ii2 s GLU 521 Cb -0.19 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1ii2 s GLU 521 CO -0.07 -0.79 1.48 0.12 -0.54 0.00 0.00 175.26 175.46 1ii2 s PHE 522 N 1.90 2.35 -2.44 5.30 5.36 -1.26 -5.16 117.98 124.04 1ii2 s PHE 522 Ca 0.77 0.69 0.28 0.00 -0.96 0.00 0.00 56.93 57.72 1ii2 s PHE 522 Cb -0.48 -4.00 1.16 0.00 -0.34 0.00 0.00 43.02 39.36 1ii2 s PHE 522 CO 0.34 -2.34 1.81 0.00 -1.46 0.00 0.00 175.22 173.56