#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i26 s PRO 17 N 0.00 -0.17 0.18 1.09 0.04 -1.26 -4.74 135.00 130.14 3i26 s PRO 17 Ca 0.00 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.06 3i26 s PRO 17 Cb 0.00 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 3i26 s PRO 17 CO 0.00 -3.25 -0.12 0.14 0.04 0.00 0.00 177.00 173.81 3i26 s VAL 18 N -2.60 1.48 -0.10 -0.36 -7.23 -0.69 -4.98 120.40 105.92 3i26 s VAL 18 Ca 0.67 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 3i26 s VAL 18 Cb -0.23 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3i26 s VAL 18 CO 0.62 -0.64 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.70 3i26 s THR 19 N -3.13 1.64 0.18 5.32 2.01 -1.26 -0.95 115.64 119.44 3i26 s THR 19 Ca 0.20 -0.75 -0.33 0.00 0.31 0.00 0.00 61.69 61.12 3i26 s THR 19 Cb 0.01 -1.46 -0.14 0.00 0.01 0.00 0.00 72.50 70.92 3i26 s THR 19 CO 0.04 0.47 1.55 -2.65 -0.69 0.00 0.00 174.62 173.34 3i26 n PRO 20 N 3.89 2.18 -3.04 4.92 -0.02 -1.26 -4.82 135.00 136.85 3i26 n PRO 20 Ca -0.20 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 3i26 n PRO 20 Cb 0.52 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3i26 n PRO 20 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i26 s TYR 21 N 0.70 3.24 -0.14 6.00 6.14 -0.10 -4.80 117.35 128.39 3i26 s TYR 21 Ca 0.76 0.77 -0.29 0.00 0.64 0.00 0.00 57.07 58.95 3i26 s TYR 21 Cb -0.66 -3.01 -0.04 0.00 0.42 0.00 0.00 41.96 38.67 3i26 s TYR 21 CO 0.40 -0.45 1.60 -0.47 0.64 0.00 0.00 175.55 177.28 3i26 s TYR 22 N 2.70 2.12 0.00 4.97 6.14 -1.24 -1.87 117.35 130.16 3i26 s TYR 22 Ca 0.28 0.44 0.00 0.00 0.64 0.00 0.00 57.07 58.44 3i26 s TYR 22 Cb -0.15 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.33 3i26 s TYR 22 CO 0.11 -3.22 0.00 0.41 0.64 0.00 0.00 175.55 173.49 3i26 n GLY 23 N 4.33 2.91 3.63 8.97 0.00 -1.26 -4.34 105.19 119.42 3i26 n GLY 23 Ca 0.18 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3i26 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i26 s PRO 24 N -2.03 0.46 0.33 1.61 0.04 -1.26 -4.13 135.00 130.03 3i26 s PRO 24 Ca 0.00 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 3i26 s PRO 24 Cb 0.00 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.88 3i26 s PRO 24 CO 0.00 -2.83 0.63 0.41 0.04 0.00 0.00 177.00 175.25 3i26 n GLY 25 N -0.25 1.34 3.21 0.56 0.00 -1.26 -3.14 105.19 105.65 3i26 n GLY 25 Ca 0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3i26 n GLY 25 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i26 s HIS 26 N -3.13 -0.16 -0.21 1.61 -3.43 -1.26 -4.94 115.29 103.76 3i26 s HIS 26 Ca 0.16 0.27 -0.02 0.00 -0.80 0.00 0.00 55.06 54.67 3i26 s HIS 26 Cb -0.04 0.07 -0.20 0.00 -1.43 0.00 0.00 32.58 30.99 3i26 s HIS 26 CO 0.12 -0.34 -0.02 -0.89 -2.00 0.00 0.00 174.74 171.61 3i26 n ILE 27 N 1.55 1.60 -4.65 -5.38 5.41 -1.26 -4.20 119.36 112.43 3i26 n ILE 27 Ca -0.21 -0.59 -0.29 0.00 1.00 0.00 0.00 62.75 62.67 3i26 n ILE 27 Cb 0.56 -1.55 -0.09 0.00 -0.71 0.00 0.00 39.64 37.85 3i26 n ILE 27 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3i26 s THR 28 N -2.53 1.22 0.58 1.39 -4.23 -1.26 -4.85 115.64 105.96 3i26 s THR 28 Ca -0.31 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.50 3i26 s THR 28 Cb 0.08 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.84 3i26 s THR 28 CO 0.66 0.00 2.25 2.19 -0.54 0.00 0.00 174.62 179.17 3i26 h PHE 29 N 1.61 0.00 -1.32 3.99 -0.00 -2.02 -3.37 116.94 115.83 3i26 h PHE 29 Ca -0.42 0.00 -0.74 0.00 -0.00 0.00 0.00 57.97 56.81 3i26 h PHE 29 Cb 1.28 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.09 3i26 h PHE 29 CO 1.26 0.01 2.06 -3.47 -0.00 0.00 0.00 178.31 178.17 3i26 n ASP 30 N -3.83 4.94 -4.14 -0.68 2.03 -1.26 -4.90 116.55 108.72 3i26 n ASP 30 Ca -0.03 -3.04 -0.10 0.00 0.52 0.00 0.00 54.79 52.14 3i26 n ASP 30 Cb 0.09 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 38.86 3i26 n ASP 30 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3i26 s TRP 31 N 1.17 0.78 0.14 -0.67 1.48 -1.26 -1.76 118.94 118.82 3i26 s TRP 31 Ca 0.42 -0.89 -0.05 0.00 -1.06 0.00 0.00 56.10 54.52 3i26 s TRP 31 Cb 0.08 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 31.89 3i26 s TRP 31 CO -0.00 -0.19 0.16 0.00 -4.06 0.00 0.00 176.95 172.85 3i26 s GLY 33 N -3.01 1.63 -0.10 0.00 0.00 -0.26 -1.05 107.32 104.54 3i26 s GLY 33 Ca 0.21 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.38 3i26 s GLY 33 CO 0.01 -1.59 -0.16 -1.36 0.00 0.00 0.00 173.10 169.99 3i26 s PHE 34 N -1.57 1.96 0.00 1.90 0.08 -0.14 -1.17 117.98 119.04 3i26 s PHE 34 Ca 0.18 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3i26 s PHE 34 Cb -0.08 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 3i26 s PHE 34 CO 0.08 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 3i26 n GLY 35 N 3.98 3.33 0.00 4.36 0.00 -0.50 -0.68 105.19 115.68 3i26 n GLY 35 Ca -0.20 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3i26 n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i26 n ASP 36 N -1.16 0.24 -0.16 1.61 3.85 -1.23 -3.13 116.55 116.57 3i26 n ASP 36 Ca 0.00 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.25 3i26 n ASP 36 Cb 0.00 0.00 0.53 0.00 -1.35 0.00 0.00 41.12 40.30 3i26 n ASP 36 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3i26 h SER 37 N 0.00 0.35 0.18 -1.12 4.64 -1.87 -1.17 113.55 114.55 3i26 h SER 37 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i26 h SER 37 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3i26 h SER 37 CO 0.00 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 3i26 n ARG 38 N -4.47 0.42 -1.27 4.77 1.74 -1.26 -2.56 116.66 114.03 3i26 n ARG 38 Ca 0.15 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.32 3i26 n ARG 38 Cb 0.58 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 3i26 n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i26 n SER 39 N -1.15 0.83 -4.16 0.55 3.41 -0.47 -0.66 113.62 111.97 3i26 n SER 39 Ca 0.11 -2.05 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 3i26 n SER 39 Cb 0.11 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 3i26 n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i26 s ASP 40 N -1.84 5.19 0.11 4.04 -1.08 -1.03 -4.74 116.67 117.31 3i26 s ASP 40 Ca 0.27 -1.70 0.20 0.00 -0.52 0.00 0.00 52.55 50.81 3i26 s ASP 40 Cb 0.31 -1.81 0.84 0.00 -1.46 0.00 0.00 42.92 40.80 3i26 s ASP 40 CO -0.13 -0.44 1.63 0.00 0.52 0.00 0.00 175.17 176.75 3i26 n THR 42 N -1.82 0.25 -1.67 0.00 -2.24 -1.26 -4.71 114.28 102.84 3i26 n THR 42 Ca 0.04 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 61.27 3i26 n THR 42 Cb 0.24 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3i26 n THR 42 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i26 n ASN 43 N -1.79 2.95 0.07 3.42 2.85 -0.72 -4.84 115.26 117.20 3i26 n ASN 43 Ca 0.06 1.10 0.07 0.00 -0.11 0.00 0.00 54.58 55.70 3i26 n ASN 43 Cb 0.37 -1.42 0.33 0.00 1.24 0.00 0.00 39.78 40.30 3i26 n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i26 n PRO 44 N 3.02 0.08 0.00 1.20 -0.04 -1.26 -1.02 135.00 136.98 3i26 n PRO 44 Ca 0.16 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3i26 n PRO 44 Cb 0.29 -1.70 0.31 0.00 -0.04 0.00 0.00 33.50 32.35 3i26 n PRO 44 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i26 n GLN 45 N -1.86 1.54 -1.80 0.54 1.13 -1.26 -4.97 117.38 110.70 3i26 n GLN 45 Ca 0.01 -1.08 -0.40 0.00 -1.94 0.00 0.00 57.00 53.59 3i26 n GLN 45 Cb 0.09 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 28.98 3i26 n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3i26 s SER 46 N -2.20 5.95 0.00 1.08 0.15 -0.19 -1.19 113.70 117.30 3i26 s SER 46 Ca 0.29 2.94 0.27 0.00 0.70 0.00 0.00 55.95 60.16 3i26 s SER 46 Cb 0.20 -2.66 0.94 0.00 -1.71 0.00 0.00 66.02 62.79 3i26 s SER 46 CO 0.41 -1.13 1.68 -0.81 1.20 0.00 0.00 173.24 174.59 3i26 n PRO 47 N -0.09 1.36 0.29 5.44 -0.04 -1.26 -4.88 135.00 135.82 3i26 n PRO 47 Ca 0.04 -0.79 0.18 0.00 -0.04 0.00 0.00 63.50 62.89 3i26 n PRO 47 Cb 0.41 -1.48 0.82 0.00 -0.04 0.00 0.00 33.50 33.21 3i26 n PRO 47 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3i26 h MET 48 N 1.94 0.00 -0.01 0.54 2.86 -1.52 -1.29 114.93 117.45 3i26 h MET 48 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i26 h MET 48 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3i26 h MET 48 CO 0.00 0.03 -0.07 -1.13 1.06 0.00 0.00 176.91 176.80 3i26 n SER 49 N -3.19 1.16 -4.81 1.22 3.41 -1.14 -2.54 113.62 107.72 3i26 n SER 49 Ca -0.01 -1.22 -0.35 0.00 -0.26 0.00 0.00 58.87 57.03 3i26 n SER 49 Cb 0.24 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3i26 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i26 s LEU 50 N -2.17 4.25 0.00 1.04 1.43 -0.49 -4.30 118.68 118.44 3i26 s LEU 50 Ca 0.35 1.57 0.21 0.00 -1.03 0.00 0.00 54.13 55.23 3i26 s LEU 50 Cb 0.21 -3.92 -0.20 0.00 0.03 0.00 0.00 46.19 42.30 3i26 s LEU 50 CO 0.40 -0.08 0.92 0.47 0.23 0.00 0.00 176.35 178.28 3i26 n ASP 51 N 0.34 1.04 -4.79 2.29 8.00 0.16 -4.24 116.55 119.36 3i26 n ASP 51 Ca 0.01 -1.01 -0.22 0.00 0.71 0.00 0.00 54.79 54.28 3i26 n ASP 51 Cb 0.51 0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 42.52 3i26 n ASP 51 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i26 s ILE 52 N -2.97 4.21 0.25 0.53 -4.36 -1.23 -3.68 121.20 113.95 3i26 s ILE 52 Ca 0.09 -1.51 -0.31 0.00 -0.26 0.00 0.00 60.65 58.66 3i26 s ILE 52 Cb 0.16 -3.28 -0.12 0.00 1.25 0.00 0.00 42.46 40.47 3i26 s ILE 52 CO 0.85 -0.35 1.66 -2.84 0.24 0.00 0.00 174.94 174.50 3i26 s PRO 53 N -3.81 4.12 0.29 0.37 0.02 -1.26 -4.88 135.00 129.84 3i26 s PRO 53 Ca 0.33 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.98 3i26 s PRO 53 Cb -0.07 -3.04 0.69 0.00 0.02 0.00 0.00 34.50 32.09 3i26 s PRO 53 CO 0.24 -0.70 1.72 0.37 -0.33 0.00 0.00 177.00 178.30 3i26 h GLN 54 N 5.79 0.47 0.00 5.54 4.15 -1.98 -0.33 115.11 128.76 3i26 h GLN 54 Ca -0.45 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 3i26 h GLN 54 Cb 1.21 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 3i26 h GLN 54 CO 0.87 0.31 -0.00 -0.56 -1.93 0.00 0.00 178.83 177.53 3i26 h GLN 55 N 0.49 0.00 -0.01 1.69 3.07 -2.05 -1.67 115.11 116.63 3i26 h GLN 55 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 3i26 h GLN 55 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.52 3i26 h GLN 55 CO -0.47 0.00 -0.19 1.28 0.09 0.00 0.00 178.83 179.54 3i26 n LEU 56 N -3.10 1.28 -0.27 0.06 4.77 -0.13 -4.40 117.00 115.21 3i26 n LEU 56 Ca -0.03 -0.38 0.08 0.00 -0.03 0.00 0.00 56.01 55.65 3i26 n LEU 56 Cb 0.10 -0.08 0.23 0.00 -2.33 0.00 0.00 43.42 41.34 3i26 n LEU 56 CO 0.21 0.23 0.97 0.00 -1.33 0.00 0.00 177.39 177.47 3i26 h PRO 58 N 0.31 0.00 0.00 0.00 0.11 -1.82 -1.08 132.00 129.52 3i26 h PRO 58 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3i26 h PRO 58 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3i26 h PRO 58 CO -0.53 0.00 -0.19 1.63 -0.21 0.00 0.00 178.00 178.70 3i26 n LYS 59 N -3.97 0.07 -4.12 1.05 4.76 -0.70 -4.86 118.16 110.39 3i26 n LYS 59 Ca 0.12 0.04 -0.35 0.00 -2.87 0.00 0.00 58.31 55.26 3i26 n LYS 59 Cb 0.78 -1.57 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 3i26 n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i26 s PHE 60 N -3.03 3.34 -0.48 2.13 0.40 -0.41 -1.10 117.98 118.84 3i26 s PHE 60 Ca 0.12 0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 56.60 3i26 s PHE 60 Cb 0.17 -1.81 0.09 0.00 0.51 0.00 0.00 43.02 41.98 3i26 s PHE 60 CO 0.60 0.58 0.39 0.45 0.70 0.00 0.00 175.22 177.94 3i26 s SER 61 N -1.31 6.06 -0.02 1.36 0.15 -0.31 -4.93 113.70 114.69 3i26 s SER 61 Ca 0.18 -1.45 -0.06 0.00 0.70 0.00 0.00 55.95 55.31 3i26 s SER 61 Cb -0.12 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 3i26 s SER 61 CO 0.08 -0.67 0.14 -0.44 1.20 0.00 0.00 173.24 173.56 3i26 s SER 62 N 2.70 -0.05 -0.10 5.45 0.01 -1.26 -1.41 113.70 119.03 3i26 s SER 62 Ca 0.04 0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.26 3i26 s SER 62 Cb -0.25 0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.28 3i26 s SER 62 CO 0.05 -0.24 0.23 -0.75 0.41 0.00 0.00 173.24 172.94 3i26 s LYS 63 N -0.79 0.17 0.11 12.44 2.47 -1.18 -4.82 119.74 128.14 3i26 s LYS 63 Ca -0.09 0.55 -0.36 0.00 -1.56 0.00 0.00 55.97 54.52 3i26 s LYS 63 Cb -0.05 -0.12 -0.16 0.00 -1.46 0.00 0.00 37.83 36.03 3i26 s LYS 63 CO 0.01 -0.20 1.34 0.43 0.16 0.00 0.00 175.35 177.10 3i26 n SER 64 N 4.50 1.81 0.00 1.43 7.64 -1.26 -1.67 113.62 126.07 3i26 n SER 64 Ca -0.21 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3i26 n SER 64 Cb 0.52 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3i26 n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i26 n SER 65 N 2.55 0.00 -5.00 6.43 7.64 -1.26 -4.81 113.62 119.17 3i26 n SER 65 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.88 3i26 n SER 65 Cb 0.21 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3i26 n SER 65 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i26 s SER 66 N -3.14 5.82 0.15 6.43 0.15 -0.67 -4.51 113.70 117.93 3i26 s SER 66 Ca 0.00 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 3i26 s SER 66 Cb 0.00 -0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 3i26 s SER 66 CO 0.00 -0.59 0.24 -0.94 1.20 0.00 0.00 173.24 173.15 3i26 s SER 67 N -4.26 0.09 0.25 5.45 1.04 -1.26 -4.60 113.70 110.41 3i26 s SER 67 Ca 0.50 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 3i26 s SER 67 Cb -0.10 0.40 0.30 0.00 0.10 0.00 0.00 66.02 66.73 3i26 s SER 67 CO 0.32 -0.85 1.68 0.24 0.98 0.00 0.00 173.24 175.61 3i26 h MET 68 N 2.61 0.61 -0.05 4.02 2.86 -1.94 -0.35 114.93 122.69 3i26 h MET 68 Ca -0.32 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.06 3i26 h MET 68 Cb 1.22 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3i26 h MET 68 CO 0.51 0.80 -0.02 0.35 1.06 0.00 0.00 176.91 179.61 3i26 h PHE 69 N 0.54 0.13 -0.70 -0.22 3.57 -1.97 -2.71 116.94 115.57 3i26 h PHE 69 Ca 0.08 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3i26 h PHE 69 Cb 0.70 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3i26 h PHE 69 CO 0.03 0.47 0.46 1.25 -2.23 0.00 0.00 178.31 178.29 3i26 h LEU 70 N -0.26 0.78 -0.93 0.59 6.46 -1.92 -2.77 115.31 117.25 3i26 h LEU 70 Ca 0.01 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3i26 h LEU 70 Cb 0.43 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3i26 h LEU 70 CO 0.01 0.56 -0.29 0.28 -0.62 0.00 0.00 178.44 178.38 3i26 h SER 71 N 0.92 0.00 -0.45 1.25 0.02 -1.09 -0.70 113.55 113.51 3i26 h SER 71 Ca 0.27 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3i26 h SER 71 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3i26 h SER 71 CO -0.07 0.29 0.05 0.25 -1.14 0.00 0.00 176.83 176.20 3i26 h LEU 72 N 0.00 0.74 0.00 5.07 5.85 -1.19 -3.34 115.31 122.44 3i26 h LEU 72 Ca -0.00 -0.28 -0.22 0.00 0.84 0.00 0.00 57.88 58.21 3i26 h LEU 72 Cb 0.85 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3i26 h LEU 72 CO 0.04 0.83 -1.52 0.45 -0.34 0.00 0.00 178.44 177.90 3i26 h HIS 73 N 0.62 0.00 -4.15 1.25 3.86 -1.37 -3.41 115.15 111.95 3i26 h HIS 73 Ca 0.13 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.87 3i26 h HIS 73 Cb 0.43 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.62 3i26 h HIS 73 CO 0.03 0.78 -0.81 -1.58 0.86 0.00 0.00 177.93 177.21 3i26 s TRP 74 N -2.77 1.27 0.00 2.45 0.51 -0.30 -0.25 118.94 119.85 3i26 s TRP 74 Ca -0.03 -0.28 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 3i26 s TRP 74 Cb 0.08 -0.80 0.00 0.00 -0.81 0.00 0.00 33.47 31.95 3i26 s TRP 74 CO 0.82 0.00 0.00 0.09 -0.51 0.00 0.00 176.95 177.35 3i26 n ASN 75 N 2.42 0.00 -4.73 2.95 3.02 -1.26 -4.40 115.26 113.26 3i26 n ASN 75 Ca -0.16 -0.52 -0.41 0.00 -0.03 0.00 0.00 54.58 53.47 3i26 n ASN 75 Cb 0.55 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3i26 n ASN 75 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i26 s ASN 76 N -1.00 7.04 0.31 6.41 0.01 -1.26 -4.57 114.94 121.88 3i26 s ASN 76 Ca 0.00 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.41 3i26 s ASN 76 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3i26 s ASN 76 CO 0.00 -0.42 0.32 -1.00 -1.51 0.00 0.00 177.10 174.50 3i26 s HIS 77 N 0.15 1.37 0.13 2.20 3.76 -0.53 -5.00 115.29 117.37 3i26 s HIS 77 Ca 0.55 -1.46 -0.34 0.00 -0.15 0.00 0.00 55.06 53.66 3i26 s HIS 77 Cb -0.33 -0.45 -0.14 0.00 1.11 0.00 0.00 32.58 32.78 3i26 s HIS 77 CO 0.36 -0.92 1.61 0.45 -0.85 0.00 0.00 174.74 175.38 3i26 n SER 78 N -1.23 3.11 0.00 1.40 2.88 -1.26 -1.70 113.62 116.81 3i26 n SER 78 Ca 0.04 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3i26 n SER 78 Cb 0.63 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 3i26 n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3i26 n SER 79 N 3.78 -2.00 -3.80 -3.46 2.88 -1.26 -4.95 113.62 104.80 3i26 n SER 79 Ca 0.18 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 3i26 n SER 79 Cb 0.29 -1.37 -0.15 0.00 -0.75 0.00 0.00 64.21 62.22 3i26 n SER 79 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3i26 s PHE 80 N -2.20 1.91 -0.42 0.66 0.40 -0.69 -5.10 117.98 112.54 3i26 s PHE 80 Ca 0.00 -1.69 -0.16 0.00 -0.60 0.00 0.00 56.93 54.48 3i26 s PHE 80 Cb 0.00 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.88 3i26 s PHE 80 CO 0.00 -0.81 0.36 0.08 0.70 0.00 0.00 175.22 175.55 3i26 s VAL 81 N 1.55 5.18 -0.13 -0.44 1.01 -1.26 -1.46 120.40 124.86 3i26 s VAL 81 Ca 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3i26 s VAL 81 Cb -0.18 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3i26 s VAL 81 CO -0.17 -0.37 0.02 -0.55 0.00 0.00 0.00 175.10 174.03 3i26 s SER 82 N 1.78 5.35 -0.03 3.32 0.15 -1.26 -4.13 113.70 118.88 3i26 s SER 82 Ca 0.08 0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.86 3i26 s SER 82 Cb -0.18 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3i26 s SER 82 CO 0.11 0.29 -0.08 -0.47 1.20 0.00 0.00 173.24 174.29 3i26 s TYR 83 N -0.34 0.89 -1.11 3.44 6.04 -1.26 -4.82 117.35 120.19 3i26 s TYR 83 Ca 0.07 -0.22 -0.13 0.00 0.04 0.00 0.00 57.07 56.83 3i26 s TYR 83 Cb -0.12 -0.64 0.20 0.00 -1.04 0.00 0.00 41.96 40.35 3i26 s TYR 83 CO 0.02 -0.10 1.25 -0.51 -1.54 0.00 0.00 175.55 174.67 3i26 s ASP 84 N 0.23 7.04 0.41 4.32 -0.00 -1.26 -4.82 116.67 122.59 3i26 s ASP 84 Ca -0.04 -2.97 -0.23 0.00 -0.00 0.00 0.00 52.55 49.31 3i26 s ASP 84 Cb -0.09 -2.34 -0.12 0.00 -0.00 0.00 0.00 42.92 40.38 3i26 s ASP 84 CO 0.00 -0.67 0.76 -1.22 -0.00 0.00 0.00 175.17 174.05 3i26 n TYR 85 N 4.91 0.28 -3.49 4.23 4.01 -1.26 -4.69 117.16 121.15 3i26 n TYR 85 Ca 0.30 0.60 0.01 0.00 -0.16 0.00 0.00 57.90 58.64 3i26 n TYR 85 Cb 0.43 -2.10 -0.04 0.00 -0.31 0.00 0.00 39.34 37.33 3i26 n TYR 85 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3i26 s PHE 86 N -1.36 -1.08 0.20 -0.72 5.36 -1.26 -0.59 117.98 118.54 3i26 s PHE 86 Ca 0.63 1.77 -0.19 0.00 -0.96 0.00 0.00 56.93 58.19 3i26 s PHE 86 Cb -0.60 0.61 0.03 0.00 -0.34 0.00 0.00 43.02 42.73 3i26 s PHE 86 CO 0.57 -0.55 0.57 1.21 -1.46 0.00 0.00 175.22 175.56 3i26 s ASN 87 N 2.73 -0.31 -0.03 6.13 3.84 -0.66 -4.69 114.94 121.96 3i26 s ASN 87 Ca -0.02 -0.43 0.01 0.00 0.21 0.00 0.00 52.86 52.63 3i26 s ASN 87 Cb -0.10 0.61 0.02 0.00 -0.55 0.00 0.00 41.25 41.22 3i26 s ASN 87 CO -0.18 -1.09 -0.04 0.00 -2.79 0.00 0.00 177.10 173.00 3i26 s GLY 89 N 0.69 0.22 0.25 0.00 0.00 -0.41 -4.38 107.32 103.69 3i26 s GLY 89 Ca -0.09 3.30 -0.03 0.00 0.00 0.00 0.00 44.72 47.90 3i26 s GLY 89 CO -0.00 2.11 1.81 -2.08 0.00 0.00 0.00 173.10 174.94 3i26 h VAL 90 N 3.71 0.91 -3.37 1.40 2.07 -1.60 -3.42 116.25 115.95 3i26 h VAL 90 Ca -0.27 -0.28 -0.67 0.00 0.82 0.00 0.00 66.70 66.29 3i26 h VAL 90 Cb 1.18 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 3i26 h VAL 90 CO 0.17 0.15 -0.64 -1.61 0.02 0.00 0.00 177.57 175.66 3i26 s GLU 91 N -6.02 2.80 -0.02 1.57 2.02 -1.05 -4.81 118.70 113.19 3i26 s GLU 91 Ca -0.12 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3i26 s GLU 91 Cb 0.20 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.78 3i26 s GLU 91 CO 0.79 0.63 0.03 0.15 0.02 0.00 0.00 175.26 176.88 3i26 s LYS 92 N -1.45 -0.03 -0.20 1.61 1.02 -1.26 -1.25 119.74 118.17 3i26 s LYS 92 Ca 0.18 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 3i26 s LYS 92 Cb -0.11 -0.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 3i26 s LYS 92 CO 0.09 -0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.32 3i26 s VAL 93 N 0.95 2.61 -0.20 3.17 1.01 -0.21 -0.85 120.40 126.88 3i26 s VAL 93 Ca -0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3i26 s VAL 93 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3i26 s VAL 93 CO -0.03 0.47 0.10 -0.36 0.00 0.00 0.00 175.10 175.29 3i26 s PHE 94 N 1.36 3.30 -0.40 5.22 0.08 0.87 -0.97 117.98 127.45 3i26 s PHE 94 Ca 0.05 0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.33 3i26 s PHE 94 Cb -0.14 -2.15 0.24 0.00 -0.57 0.00 0.00 43.02 40.40 3i26 s PHE 94 CO -0.09 0.15 0.52 0.98 -0.10 0.00 0.00 175.22 176.69 3i26 n TYR 95 N 3.76 -0.61 -3.93 0.36 9.36 0.14 -0.89 117.16 125.36 3i26 n TYR 95 Ca -0.16 -3.42 -0.12 0.00 3.32 0.00 0.00 57.90 57.52 3i26 n TYR 95 Cb 0.52 -0.18 -0.00 0.00 -0.63 0.00 0.00 39.34 39.05 3i26 n TYR 95 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3i26 s GLU 96 N -0.95 2.14 0.00 2.98 4.04 -1.26 -3.51 118.70 122.15 3i26 s GLU 96 Ca 0.35 -1.62 0.00 0.00 0.04 0.00 0.00 54.97 53.74 3i26 s GLU 96 Cb 0.16 0.55 0.00 0.00 0.02 0.00 0.00 34.13 34.86 3i26 s GLU 96 CO -0.13 -0.96 0.00 0.41 -1.84 0.00 0.00 175.26 172.74 3i26 n GLY 97 N -0.56 4.32 0.34 -3.83 0.00 -1.26 -4.69 105.19 99.51 3i26 n GLY 97 Ca -0.05 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.23 3i26 n GLY 97 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i26 h VAL 98 N 0.00 0.93 0.00 1.61 3.04 -1.92 -1.95 116.25 117.96 3i26 h VAL 98 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3i26 h VAL 98 Cb 0.00 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 3i26 h VAL 98 CO 0.00 0.08 0.00 0.59 -1.01 0.00 0.00 177.57 177.23 3i26 n ASN 99 N -4.47 0.00 -3.83 3.17 3.02 -1.26 -3.13 115.26 108.76 3i26 n ASN 99 Ca 0.08 -0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 53.99 3i26 n ASN 99 Cb 0.32 -0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.23 3i26 n ASN 99 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i26 s PHE 100 N -2.24 2.55 0.31 3.10 5.36 -0.73 -4.88 117.98 121.45 3i26 s PHE 100 Ca 0.24 -2.57 0.05 0.00 -0.96 0.00 0.00 56.93 53.69 3i26 s PHE 100 Cb 0.13 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 3i26 s PHE 100 CO 0.25 -0.83 0.23 -1.54 -1.46 0.00 0.00 175.22 171.87 3i26 s SER 101 N 0.57 1.45 0.58 6.13 1.04 -1.18 -4.99 113.70 117.30 3i26 s SER 101 Ca 0.15 -1.66 0.28 0.00 0.48 0.00 0.00 55.95 55.19 3i26 s SER 101 Cb -0.22 0.50 1.74 0.00 0.10 0.00 0.00 66.02 68.14 3i26 s SER 101 CO -0.07 -0.99 2.24 -0.65 0.98 0.00 0.00 173.24 174.75 3i26 h PRO 102 N 2.21 0.00 -0.85 4.02 0.11 -1.82 -0.82 132.00 134.86 3i26 h PRO 102 Ca -0.29 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.04 3i26 h PRO 102 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3i26 h PRO 102 CO 0.42 0.00 0.58 -0.09 -0.21 0.00 0.00 178.00 178.71 3i26 h ARG 103 N 0.00 0.22 0.00 1.05 2.43 -1.80 0.98 114.38 117.27 3i26 h ARG 103 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3i26 h ARG 103 Cb 0.00 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3i26 h ARG 103 CO 0.00 0.15 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.25 3i26 h LYS 104 N 0.23 0.00 -5.12 0.20 3.64 -1.46 -3.47 116.57 110.60 3i26 h LYS 104 Ca 0.42 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.42 3i26 h LYS 104 Cb 1.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 3i26 h LYS 104 CO -0.10 0.14 -0.56 1.04 -2.27 0.00 0.00 179.45 177.70 3i26 n GLN 105 N -3.50 -3.83 -2.90 1.90 6.02 0.34 -4.95 117.38 110.46 3i26 n GLN 105 Ca -0.01 0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 57.18 3i26 n GLN 105 Cb 0.30 -5.36 -0.05 0.00 1.02 0.00 0.00 30.24 26.15 3i26 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3i26 s TYR 106 N -3.00 3.73 0.21 1.08 5.04 -1.26 -4.92 117.35 118.24 3i26 s TYR 106 Ca 0.36 1.56 -0.16 0.00 -2.44 0.00 0.00 57.07 56.38 3i26 s TYR 106 Cb -0.18 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.24 3i26 s TYR 106 CO 0.44 0.22 0.51 -1.54 -1.34 0.00 0.00 175.55 173.84 3i26 s SER 107 N 0.13 -0.20 0.09 4.32 1.04 -1.26 -4.01 113.70 113.81 3i26 s SER 107 Ca 0.42 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3i26 s SER 107 Cb -0.21 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3i26 s SER 107 CO 0.25 -1.09 0.00 0.00 0.98 0.00 0.00 173.24 173.38 3i26 n TRP 109 N -3.35 0.00 0.88 0.00 7.02 -1.26 -0.93 117.44 119.80 3i26 n TRP 109 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 3i26 n TRP 109 Cb 0.00 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.16 3i26 n TRP 109 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3i26 n ASP 110 N 0.00 2.11 0.23 -0.99 8.00 0.43 -4.27 116.55 122.06 3i26 n ASP 110 Ca 0.00 -1.87 0.16 0.00 0.71 0.00 0.00 54.79 53.79 3i26 n ASP 110 Cb 0.00 -0.20 0.72 0.00 -0.02 0.00 0.00 41.12 41.62 3i26 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i26 h GLU 111 N 2.55 0.00 -1.10 -1.24 9.09 -1.91 -3.47 114.58 118.50 3i26 h GLU 111 Ca 0.00 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.54 3i26 h GLU 111 Cb 0.57 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.63 3i26 h GLU 111 CO 0.00 0.00 -0.24 0.41 0.05 0.00 0.00 179.01 179.23 3i26 n GLY 112 N -0.34 -1.85 0.36 1.06 0.00 -1.26 -2.09 105.19 101.07 3i26 n GLY 112 Ca 0.00 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.66 3i26 n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i26 h VAL 113 N -0.46 1.05 -0.62 1.61 2.07 -1.92 -2.45 116.25 115.53 3i26 h VAL 113 Ca -0.01 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3i26 h VAL 113 Cb 0.45 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3i26 h VAL 113 CO 0.01 0.20 0.22 0.44 0.02 0.00 0.00 177.57 178.46 3i26 h ASP 114 N 1.10 0.85 -0.96 0.57 3.32 -1.89 -1.86 116.42 117.56 3i26 h ASP 114 Ca 0.43 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.42 3i26 h ASP 114 Cb 0.22 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 3i26 h ASP 114 CO -0.19 0.78 0.61 1.23 -1.72 0.00 0.00 179.24 179.95 3i26 h GLY 115 N 1.01 1.45 2.00 2.75 0.00 -0.92 -1.06 103.07 108.31 3i26 h GLY 115 Ca 0.21 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3i26 h GLY 115 CO -0.01 0.31 -0.35 1.49 0.00 0.00 0.00 176.54 177.98 3i26 h TRP 116 N 1.11 0.00 -0.15 5.60 4.06 -1.30 -0.74 115.95 124.52 3i26 h TRP 116 Ca 0.42 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.19 3i26 h TRP 116 Cb 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3i26 h TRP 116 CO -0.01 0.35 -0.61 0.82 -3.56 0.00 0.00 178.44 175.42 3i26 h ILE 117 N 0.00 1.33 -0.21 1.49 1.08 -0.82 0.12 117.51 120.50 3i26 h ILE 117 Ca -0.00 -1.90 0.01 0.00 -0.39 0.00 0.00 64.86 62.58 3i26 h ILE 117 Cb 1.08 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 3i26 h ILE 117 CO 0.05 0.58 0.13 -0.08 -0.69 0.00 0.00 178.15 178.14 3i26 h GLU 118 N 0.39 0.26 -0.84 2.37 4.57 -0.92 -0.76 114.58 119.65 3i26 h GLU 118 Ca -0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3i26 h GLU 118 Cb 1.17 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 3i26 h GLU 118 CO 0.11 0.17 0.44 -0.07 -1.18 0.00 0.00 179.01 178.48 3i26 h LEU 119 N 0.27 1.07 -0.35 1.64 3.38 -0.93 -1.38 115.31 119.00 3i26 h LEU 119 Ca 0.08 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i26 h LEU 119 Cb -0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3i26 h LEU 119 CO -0.03 0.87 0.04 0.50 0.09 0.00 0.00 178.44 179.92 3i26 h LYS 120 N 1.18 0.14 -0.72 1.13 3.64 -0.51 -0.74 116.57 120.69 3i26 h LYS 120 Ca 0.29 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3i26 h LYS 120 Cb 0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3i26 h LYS 120 CO -0.04 0.10 0.40 1.15 -2.27 0.00 0.00 179.45 178.78 3i26 h THR 121 N 0.15 1.22 -0.64 1.00 2.02 -0.52 -2.10 112.91 114.04 3i26 h THR 121 Ca 0.17 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3i26 h THR 121 Cb 0.21 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3i26 h THR 121 CO -0.24 0.24 0.25 0.03 0.37 0.00 0.00 175.52 176.17 3i26 h ARG 122 N 1.00 0.96 0.45 6.66 3.08 -0.85 -1.54 114.38 124.13 3i26 h ARG 122 Ca 0.26 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3i26 h ARG 122 Cb 0.03 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i26 h ARG 122 CO -0.04 0.81 -0.22 0.35 -1.07 0.00 0.00 179.97 179.80 3i26 h PHE 123 N 0.90 -0.56 -0.78 3.04 3.57 -0.78 -2.37 116.94 119.95 3i26 h PHE 123 Ca 0.21 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3i26 h PHE 123 Cb 0.21 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3i26 h PHE 123 CO 0.01 -0.30 0.37 1.88 -2.23 0.00 0.00 178.31 178.04 3i26 h TYR 124 N -0.69 1.12 -0.30 0.41 0.05 -1.35 0.21 116.97 116.42 3i26 h TYR 124 Ca -0.06 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.73 3i26 h TYR 124 Cb 0.51 -0.35 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 3i26 h TYR 124 CO -0.02 0.82 -0.19 1.15 -1.05 0.00 0.00 178.16 178.86 3i26 h THR 125 N 1.11 0.46 -0.37 -2.88 2.02 -1.26 -0.04 112.91 111.94 3i26 h THR 125 Ca 0.27 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.37 3i26 h THR 125 Cb 0.12 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3i26 h THR 125 CO -0.03 0.00 -0.06 0.50 0.37 0.00 0.00 175.52 176.29 3i26 h LYS 126 N -0.17 0.71 -0.31 6.66 1.63 -0.92 -2.48 116.57 121.68 3i26 h LYS 126 Ca 0.16 -0.26 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3i26 h LYS 126 Cb 0.41 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 3i26 h LYS 126 CO -0.40 0.84 0.06 1.25 -3.45 0.00 0.00 179.45 177.75 3i26 h LEU 127 N 0.51 0.00 -0.47 5.20 5.85 -0.30 -0.99 115.31 125.11 3i26 h LEU 127 Ca 0.10 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3i26 h LEU 127 Cb 0.57 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3i26 h LEU 127 CO 0.03 0.04 0.13 1.88 -0.34 0.00 0.00 178.44 180.18 3i26 h TYR 128 N 0.17 0.77 0.21 1.25 0.05 -0.98 -0.50 116.97 117.94 3i26 h TYR 128 Ca 0.15 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.85 3i26 h TYR 128 Cb 0.16 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3i26 h TYR 128 CO -0.18 0.69 -0.25 1.96 -1.05 0.00 0.00 178.16 179.33 3i26 h GLN 129 N 0.63 -0.49 -0.00 4.88 4.20 -1.21 -2.53 115.11 120.59 3i26 h GLN 129 Ca 0.15 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3i26 h GLN 129 Cb 0.29 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3i26 h GLN 129 CO -0.00 -0.33 -0.28 0.52 -0.67 0.00 0.00 178.83 178.07 3i26 h MET 130 N -0.51 0.00 0.00 1.46 2.86 -1.07 -2.93 114.93 114.75 3i26 h MET 130 Ca 0.01 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3i26 h MET 130 Cb 0.49 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3i26 h MET 130 CO -0.09 0.29 -0.35 0.00 1.06 0.00 0.00 176.91 177.82 3i26 h ALA 131 N 1.71 1.31 0.00 6.32 0.00 -0.67 -3.12 119.26 124.82 3i26 h ALA 131 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i26 h ALA 131 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i26 h ALA 131 CO 0.04 0.44 -0.00 1.79 0.00 0.00 0.00 179.25 181.51 3i26 h THR 132 N 0.00 0.01 -0.16 0.00 1.35 -1.29 -2.28 112.91 110.54 3i26 h THR 132 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3i26 h THR 132 Cb 0.66 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3i26 h THR 132 CO 0.05 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.67 3i26 n THR 133 N -3.09 1.92 -4.28 6.82 -2.24 -1.18 -1.50 114.28 110.73 3i26 n THR 133 Ca -0.01 -1.86 -0.24 0.00 -2.27 0.00 0.00 64.05 59.67 3i26 n THR 133 Cb 0.19 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 3i26 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i26 s SER 134 N -2.10 2.52 -0.21 3.42 0.01 -0.86 -1.53 113.70 114.95 3i26 s SER 134 Ca 0.34 -0.68 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 3i26 s SER 134 Cb 0.27 -0.14 -0.11 0.00 0.21 0.00 0.00 66.02 66.26 3i26 s SER 134 CO 0.07 0.06 -0.17 -1.14 0.41 0.00 0.00 173.24 172.46 3i26 n ARG 135 N 1.09 0.54 -3.85 12.44 0.63 -1.26 -4.75 116.66 121.51 3i26 n ARG 135 Ca -0.20 0.38 -0.36 0.00 -0.92 0.00 0.00 57.85 56.76 3i26 n ARG 135 Cb 0.54 -1.58 -0.06 0.00 0.45 0.00 0.00 32.46 31.80 3i26 n ARG 135 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i26 s ILE 137 N -1.12 0.97 -0.04 0.00 1.01 0.12 -2.72 121.20 119.41 3i26 s ILE 137 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3i26 s ILE 137 Cb -0.13 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.46 3i26 s ILE 137 CO 0.09 0.32 0.07 -0.75 0.00 0.00 0.00 174.94 174.67 3i26 s LYS 138 N 0.83 -0.04 -0.18 2.79 2.20 0.30 -1.65 119.74 123.99 3i26 s LYS 138 Ca -0.12 0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 3i26 s LYS 138 Cb -0.15 -0.38 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 3i26 s LYS 138 CO 0.02 -0.27 1.02 -1.17 -0.36 0.00 0.00 175.35 174.58 3i26 s LEU 139 N 1.83 4.16 0.14 5.43 2.96 0.25 0.08 118.68 133.53 3i26 s LEU 139 Ca 0.00 1.43 0.09 0.00 -0.22 0.00 0.00 54.13 55.44 3i26 s LEU 139 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3i26 s LEU 139 CO -0.04 -0.57 -0.22 0.27 -1.32 0.00 0.00 176.35 174.47 3i26 s ILE 140 N 2.70 1.98 -0.21 6.68 -4.36 -0.30 -4.66 121.20 123.03 3i26 s ILE 140 Ca 0.46 -1.77 -0.20 0.00 -0.26 0.00 0.00 60.65 58.88 3i26 s ILE 140 Cb -0.16 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 3i26 s ILE 140 CO 0.11 -0.10 0.58 -1.10 0.24 0.00 0.00 174.94 174.67 3i26 s GLN 141 N -2.30 4.19 0.55 0.37 -1.52 -1.26 -2.22 119.66 117.47 3i26 s GLN 141 Ca 0.13 0.51 -0.15 0.00 -1.95 0.00 0.00 55.36 53.91 3i26 s GLN 141 Cb -0.09 -3.58 -0.06 0.00 -0.22 0.00 0.00 33.01 29.06 3i26 s GLN 141 CO 0.06 -0.22 1.01 -0.51 -0.25 0.00 0.00 175.29 175.37 3i26 s LEU 142 N 1.87 3.49 0.45 2.90 1.43 -0.07 -4.98 118.68 123.77 3i26 s LEU 142 Ca 0.26 1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 54.67 3i26 s LEU 142 Cb -0.16 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 3i26 s LEU 142 CO 0.10 -0.73 1.20 -1.10 0.23 0.00 0.00 176.35 176.05 3i26 s GLN 143 N -4.42 3.79 0.48 1.70 -0.21 -1.26 -4.90 119.66 114.84 3i26 s GLN 143 Ca 0.58 1.88 -0.22 0.00 0.02 0.00 0.00 55.36 57.62 3i26 s GLN 143 Cb -0.11 -2.49 -0.07 0.00 1.00 0.00 0.00 33.01 31.34 3i26 s GLN 143 CO 0.39 -0.56 1.11 0.00 -2.12 0.00 0.00 175.29 174.12 3i26 s ALA 144 N -1.46 2.90 0.28 6.09 0.00 -1.26 -4.72 121.76 123.58 3i26 s ALA 144 Ca 0.62 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 3i26 s ALA 144 Cb -0.31 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 3i26 s ALA 144 CO 0.38 -0.56 1.23 -2.30 0.00 0.00 0.00 175.76 174.52 3i26 n PRO 145 N -0.73 1.76 0.17 0.00 -0.02 -1.26 -4.87 135.00 130.06 3i26 n PRO 145 Ca 0.08 0.62 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3i26 n PRO 145 Cb 0.50 -2.16 0.29 0.00 -0.02 0.00 0.00 33.50 32.12 3i26 n PRO 145 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3i26 h SER 146 N 2.99 0.00 -3.29 2.55 0.02 -1.94 -3.38 113.55 110.50 3i26 h SER 146 Ca -0.44 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 3i26 h SER 146 Cb 1.30 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.53 3i26 h SER 146 CO 0.67 0.46 -0.84 -0.55 -1.14 0.00 0.00 176.83 175.43 3i26 s SER 147 N -6.77 3.42 -0.05 3.07 0.15 -1.26 -5.10 113.70 107.16 3i26 s SER 147 Ca -0.02 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 3i26 s SER 147 Cb 0.13 -1.50 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3i26 s SER 147 CO 0.73 0.12 0.04 -0.76 1.20 0.00 0.00 173.24 174.57 3i26 s LEU 148 N 0.57 0.34 1.17 3.45 1.43 -1.26 -4.75 118.68 119.63 3i26 s LEU 148 Ca -0.11 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 3i26 s LEU 148 Cb -0.16 -0.23 0.27 0.00 0.03 0.00 0.00 46.19 46.10 3i26 s LEU 148 CO 0.04 -0.22 1.04 -2.84 0.23 0.00 0.00 176.35 174.60 3i26 s PRO 149 N 2.03 -0.96 0.10 1.29 0.02 -1.26 -4.93 135.00 131.29 3i26 s PRO 149 Ca 0.04 0.45 -0.36 0.00 0.02 0.00 0.00 61.00 61.15 3i26 s PRO 149 Cb -0.12 -1.58 -0.16 0.00 0.02 0.00 0.00 34.50 32.66 3i26 s PRO 149 CO -0.04 -3.65 1.37 2.41 -0.33 0.00 0.00 177.00 176.77 3i26 n THR 150 N -4.81 0.04 -3.90 0.99 -1.04 -1.26 -4.99 114.28 99.31 3i26 n THR 150 Ca 0.07 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.89 3i26 n THR 150 Cb 0.57 -0.94 -0.16 0.00 -1.82 0.00 0.00 70.33 67.98 3i26 n THR 150 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i26 s LEU 151 N 0.56 1.07 -0.17 -4.42 1.43 -1.26 -4.03 118.68 111.85 3i26 s LEU 151 Ca 0.83 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 3i26 s LEU 151 Cb -0.90 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3i26 s LEU 151 CO 0.46 -0.12 0.38 -1.58 0.23 0.00 0.00 176.35 175.72 3i26 s GLN 152 N 1.15 4.23 0.31 1.70 0.74 0.09 -4.88 119.66 123.00 3i26 s GLN 152 Ca -0.08 0.22 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 3i26 s GLN 152 Cb -0.13 -3.48 -0.12 0.00 1.10 0.00 0.00 33.01 30.37 3i26 s GLN 152 CO -0.02 0.08 1.54 0.00 -0.55 0.00 0.00 175.29 176.34 3i26 n ALA 153 N 4.06 2.31 -1.05 1.58 0.00 -1.26 0.35 120.51 126.49 3i26 n ALA 153 Ca -0.09 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 3i26 n ALA 153 Cb 0.51 -2.43 0.20 0.00 0.00 0.00 0.00 19.45 17.74 3i26 n ALA 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i26 s GLY 154 N 0.31 1.56 0.12 0.00 0.00 -0.71 -4.79 107.32 103.81 3i26 s GLY 154 Ca 0.62 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.86 3i26 s GLY 154 CO 0.52 0.23 0.07 -1.34 0.00 0.00 0.00 173.10 172.58 3i26 s VAL 155 N -2.89 0.11 0.02 1.40 -7.23 -1.26 -4.92 120.40 105.63 3i26 s VAL 155 Ca 0.67 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 3i26 s VAL 155 Cb -0.18 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3i26 s VAL 155 CO 0.58 -0.51 0.59 0.00 -0.31 0.00 0.00 175.10 175.46 3i26 h ARG 157 N 5.31 0.64 0.00 0.00 2.43 -1.37 -0.54 114.38 120.85 3i26 h ARG 157 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3i26 h ARG 157 Cb 1.20 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3i26 h ARG 157 CO 0.68 0.42 0.00 0.25 -1.51 0.00 0.00 179.97 179.81 3i26 n THR 158 N -4.50 0.91 -0.97 0.20 -2.24 -0.62 -4.87 114.28 102.19 3i26 n THR 158 Ca 0.13 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 3i26 n THR 158 Cb 0.34 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3i26 n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i26 n ASN 159 N -1.46 -4.34 -4.80 3.42 5.03 -0.21 -5.01 115.26 107.89 3i26 n ASN 159 Ca 0.04 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.20 3i26 n ASN 159 Cb 0.17 -2.21 0.10 0.00 -1.02 0.00 0.00 39.78 36.82 3i26 n ASN 159 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i26 s LYS 160 N -1.13 1.78 -0.15 3.52 1.02 -1.26 -4.94 119.74 118.57 3i26 s LYS 160 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 3i26 s LYS 160 Cb 0.00 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 3i26 s LYS 160 CO 0.00 -1.71 1.46 -1.14 -0.92 0.00 0.00 175.35 173.04 3i26 s GLN 161 N -5.62 4.10 0.29 1.68 2.00 -1.26 -4.27 119.66 116.58 3i26 s GLN 161 Ca 0.64 1.80 -0.30 0.00 -2.00 0.00 0.00 55.36 55.49 3i26 s GLN 161 Cb -0.10 -3.90 -0.13 0.00 0.80 0.00 0.00 33.01 29.68 3i26 s GLN 161 CO 0.50 -0.91 1.43 -0.11 -0.50 0.00 0.00 175.29 175.70 3i26 n LEU 162 N 7.23 3.65 -4.57 3.68 7.94 -1.26 -4.95 117.00 128.72 3i26 n LEU 162 Ca 0.16 1.16 -0.45 0.00 -1.11 0.00 0.00 56.01 55.77 3i26 n LEU 162 Cb 0.44 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 3i26 n LEU 162 CO 0.60 -0.28 0.52 -2.65 -1.11 0.00 0.00 177.39 174.47 3i26 n PRO 163 N 1.60 1.18 0.13 1.96 -0.02 -1.26 -4.90 135.00 133.70 3i26 n PRO 163 Ca 0.08 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3i26 n PRO 163 Cb 0.34 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.11 3i26 n PRO 163 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i26 h ASP 164 N 1.99 0.00 -3.35 2.55 3.32 -0.99 -3.43 116.42 116.50 3i26 h ASP 164 Ca -0.38 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.24 3i26 h ASP 164 Cb 1.35 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.54 3i26 h ASP 164 CO 0.61 0.24 -0.77 0.21 -1.72 0.00 0.00 179.24 177.81 3i26 s ASN 165 N -5.98 1.26 0.64 6.45 2.47 -0.57 -3.31 114.94 115.90 3i26 s ASN 165 Ca 0.02 -0.11 -0.14 0.00 0.42 0.00 0.00 52.86 53.06 3i26 s ASN 165 Cb 0.08 -0.45 -0.01 0.00 -1.45 0.00 0.00 41.25 39.41 3i26 s ASN 165 CO 0.75 -0.12 1.06 -2.16 -3.72 0.00 0.00 177.10 172.91 3i26 s PRO 166 N 1.45 3.11 0.22 0.43 0.04 -1.26 -4.36 135.00 134.62 3i26 s PRO 166 Ca -0.03 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 3i26 s PRO 166 Cb -0.13 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 3i26 s PRO 166 CO -0.03 -0.97 1.44 0.50 0.04 0.00 0.00 177.00 177.98 3i26 s ARG 167 N -4.44 4.28 -0.22 4.56 3.52 0.23 -4.84 118.95 122.03 3i26 s ARG 167 Ca 0.62 2.26 -0.01 0.00 -0.13 0.00 0.00 55.73 58.47 3i26 s ARG 167 Cb -0.16 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3i26 s ARG 167 CO 0.44 -0.43 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.23 3i26 s LEU 168 N 0.04 2.84 0.18 -0.88 2.96 -1.26 -2.21 118.68 120.35 3i26 s LEU 168 Ca 0.61 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3i26 s LEU 168 Cb -0.41 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3i26 s LEU 168 CO 0.39 -0.07 0.10 0.00 -1.32 0.00 0.00 176.35 175.46 3i26 s ALA 169 N 1.34 1.08 -0.16 5.97 0.00 -0.47 -1.74 121.76 127.77 3i26 s ALA 169 Ca 0.02 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.37 3i26 s ALA 169 Cb -0.15 1.21 0.02 0.00 0.00 0.00 0.00 23.12 24.19 3i26 s ALA 169 CO -0.07 -0.55 -0.20 -0.51 0.00 0.00 0.00 175.76 174.43 3i26 s LEU 170 N -3.13 2.07 0.77 0.00 1.02 0.15 -1.02 118.68 118.55 3i26 s LEU 170 Ca 0.34 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.76 3i26 s LEU 170 Cb 0.07 -1.43 0.05 0.00 0.02 0.00 0.00 46.19 44.91 3i26 s LEU 170 CO 0.09 0.02 1.08 -0.76 0.02 0.00 0.00 176.35 176.79 3i26 s LEU 171 N 1.18 2.82 0.00 1.79 1.43 0.67 -0.73 118.68 125.83 3i26 s LEU 171 Ca 0.02 1.53 0.28 0.00 -1.03 0.00 0.00 54.13 54.93 3i26 s LEU 171 Cb -0.14 -4.23 1.00 0.00 0.03 0.00 0.00 46.19 42.85 3i26 s LEU 171 CO -0.10 -1.89 1.75 -1.20 0.23 0.00 0.00 176.35 175.15 3i26 n SER 172 N -3.41 0.22 -2.45 2.29 7.64 -1.26 -4.82 113.62 111.84 3i26 n SER 172 Ca 0.08 0.10 -0.09 0.00 1.01 0.00 0.00 58.87 59.97 3i26 n SER 172 Cb 0.55 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 3i26 n SER 172 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i26 n ASP 173 N -1.43 1.59 -0.22 6.43 5.68 -1.26 -5.07 116.55 122.27 3i26 n ASP 173 Ca 0.08 -1.67 0.08 0.00 -0.50 0.00 0.00 54.79 52.77 3i26 n ASP 173 Cb 0.33 0.23 0.11 0.00 -1.14 0.00 0.00 41.12 40.65 3i26 n ASP 173 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i26 n THR 174 N -0.32 1.48 -3.01 2.12 -2.24 -1.26 -3.07 114.28 107.99 3i26 n THR 174 Ca -0.04 -1.84 -0.36 0.00 -2.27 0.00 0.00 64.05 59.55 3i26 n THR 174 Cb 0.19 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 3i26 n THR 174 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i26 s VAL 175 N -2.25 4.48 0.37 2.28 1.01 -1.26 -4.27 120.40 120.76 3i26 s VAL 175 Ca 0.26 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.35 3i26 s VAL 175 Cb 0.23 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 3i26 s VAL 175 CO 0.01 0.11 1.45 -2.84 0.00 0.00 0.00 175.10 173.84 3i26 s PRO 176 N -2.19 4.13 0.03 2.72 0.02 -1.14 -4.11 135.00 134.46 3i26 s PRO 176 Ca 0.47 2.50 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 3i26 s PRO 176 Cb -0.16 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3i26 s PRO 176 CO 0.21 -0.49 0.23 0.99 -0.33 0.00 0.00 177.00 177.61 3i26 s THR 177 N -1.13 0.09 0.01 0.99 2.01 -0.74 -4.96 115.64 111.92 3i26 s THR 177 Ca 0.52 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3i26 s THR 177 Cb -0.45 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3i26 s THR 177 CO 0.61 -0.41 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.67 3i26 s SER 178 N -1.84 0.22 0.14 3.53 0.01 -1.26 -1.26 113.70 113.24 3i26 s SER 178 Ca -0.08 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 56.98 3i26 s SER 178 Cb -0.03 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 3i26 s SER 178 CO -0.01 -0.16 -0.20 0.68 0.41 0.00 0.00 173.24 173.96 3i26 s VAL 179 N -0.82 1.82 -0.20 3.43 -7.23 -0.57 -4.96 120.40 111.87 3i26 s VAL 179 Ca -0.08 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 3i26 s VAL 179 Cb -0.06 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 3i26 s VAL 179 CO -0.00 -0.20 0.11 -1.10 -0.31 0.00 0.00 175.10 173.59 3i26 s GLN 180 N -2.45 4.11 0.16 4.82 1.11 -1.26 0.12 119.66 126.27 3i26 s GLN 180 Ca 0.12 -0.27 0.08 0.00 0.01 0.00 0.00 55.36 55.31 3i26 s GLN 180 Cb -0.07 -3.36 -0.04 0.00 -1.01 0.00 0.00 33.01 28.53 3i26 s GLN 180 CO 0.06 0.27 -0.06 -0.59 0.01 0.00 0.00 175.29 174.98 3i26 s PHE 181 N 0.42 2.73 -0.16 0.91 -0.71 -0.09 -4.25 117.98 116.82 3i26 s PHE 181 Ca 0.06 -0.18 -0.00 0.00 -1.04 0.00 0.00 56.93 55.77 3i26 s PHE 181 Cb -0.12 -1.35 -0.00 0.00 -1.21 0.00 0.00 43.02 40.34 3i26 s PHE 181 CO -0.01 0.50 -0.15 0.08 -1.34 0.00 0.00 175.22 174.30 3i26 s VAL 182 N -1.62 2.71 -0.39 -2.49 1.01 -1.26 -0.46 120.40 117.90 3i26 s VAL 182 Ca 0.25 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3i26 s VAL 182 Cb -0.09 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3i26 s VAL 182 CO 0.16 0.51 0.31 -0.76 0.00 0.00 0.00 175.10 175.32 3i26 s LEU 183 N 0.86 4.92 0.66 3.92 1.43 0.24 -4.63 118.68 126.07 3i26 s LEU 183 Ca -0.04 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 3i26 s LEU 183 Cb -0.15 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 3i26 s LEU 183 CO -0.01 -0.42 1.08 -2.16 0.23 0.00 0.00 176.35 175.08 3i26 s PRO 184 N 1.78 2.88 0.19 1.29 0.04 -1.26 -0.66 135.00 139.26 3i26 s PRO 184 Ca 0.07 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.60 3i26 s PRO 184 Cb -0.18 -1.97 0.90 0.00 0.04 0.00 0.00 34.50 33.28 3i26 s PRO 184 CO 0.11 -1.16 1.76 0.41 0.04 0.00 0.00 177.00 178.16 3i26 n GLY 185 N -0.97 -1.54 3.62 0.56 0.00 -1.26 -4.68 105.19 100.91 3i26 n GLY 185 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3i26 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 186 N -4.20 -0.43 -0.19 1.61 1.04 -1.26 -0.92 113.70 109.35 3i26 s SER 186 Ca 0.09 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 3i26 s SER 186 Cb 0.12 0.66 0.09 0.00 0.10 0.00 0.00 66.02 66.99 3i26 s SER 186 CO 0.52 -1.14 0.21 -0.55 0.98 0.00 0.00 173.24 173.26 3i26 s SER 187 N -2.83 1.37 1.70 7.02 0.15 0.06 -4.86 113.70 116.31 3i26 s SER 187 Ca 0.06 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.52 3i26 s SER 187 Cb -0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3i26 s SER 187 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3i26 n GLY 188 N 5.32 3.70 0.25 9.45 0.00 -1.26 -1.26 105.19 121.39 3i26 n GLY 188 Ca -0.06 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3i26 n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i26 n THR 189 N 0.00 0.00 -3.22 2.61 -2.24 -1.26 -4.87 114.28 105.30 3i26 n THR 189 Ca 0.00 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 3i26 n THR 189 Cb 0.00 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 3i26 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i26 s THR 190 N -2.32 5.04 -0.02 4.28 2.01 -0.39 -5.05 115.64 119.19 3i26 s THR 190 Ca 0.31 1.18 -0.21 0.00 0.31 0.00 0.00 61.69 63.28 3i26 s THR 190 Cb 0.20 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3i26 s THR 190 CO 0.45 0.35 0.61 -0.63 -0.69 0.00 0.00 174.62 174.71 3i26 s ILE 191 N 0.28 4.94 -0.58 1.82 -1.09 -1.26 -0.76 121.20 124.55 3i26 s ILE 191 Ca 0.30 1.28 -0.09 0.00 -2.23 0.00 0.00 60.65 59.91 3i26 s ILE 191 Cb -0.17 -3.95 0.15 0.00 -1.58 0.00 0.00 42.46 36.91 3i26 s ILE 191 CO 0.15 0.38 0.45 0.00 -1.23 0.00 0.00 174.94 174.69 3i26 n THR 193 N 4.38 0.09 -3.46 0.00 -2.24 0.52 -4.55 114.28 109.03 3i26 n THR 193 Ca 0.00 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3i26 n THR 193 Cb 0.41 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3i26 n THR 193 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i26 s LYS 194 N -3.04 1.08 -0.01 -0.78 -2.85 -1.08 -4.38 119.74 108.67 3i26 s LYS 194 Ca 0.11 -0.40 0.04 0.00 -1.00 0.00 0.00 55.97 54.72 3i26 s LYS 194 Cb 0.17 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.42 3i26 s LYS 194 CO 0.67 -0.47 -0.14 -1.01 0.10 0.00 0.00 175.35 174.50 3i26 s HIS 195 N -3.47 1.24 -0.26 1.78 3.76 0.85 -1.76 115.29 117.42 3i26 s HIS 195 Ca 0.03 -0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.52 3i26 s HIS 195 Cb -0.01 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3i26 s HIS 195 CO -0.11 -0.04 0.45 -1.17 -0.85 0.00 0.00 174.74 173.02 3i26 s LEU 196 N -0.26 4.05 -0.04 0.89 0.20 -0.59 -1.49 118.68 121.44 3i26 s LEU 196 Ca 0.04 0.42 0.01 0.00 0.69 0.00 0.00 54.13 55.29 3i26 s LEU 196 Cb -0.06 -2.55 0.02 0.00 -0.43 0.00 0.00 46.19 43.17 3i26 s LEU 196 CO -0.00 -0.23 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.10 3i26 s VAL 197 N 2.16 0.46 0.22 1.68 1.01 -0.28 -1.87 120.40 123.79 3i26 s VAL 197 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 3i26 s VAL 197 Cb -0.16 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 3i26 s VAL 197 CO 0.09 0.21 0.88 -2.16 0.00 0.00 0.00 175.10 174.12 3i26 s PRO 198 N 0.95 4.71 -0.17 2.72 0.04 -1.26 -0.70 135.00 141.28 3i26 s PRO 198 Ca -0.11 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3i26 s PRO 198 Cb -0.14 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.22 3i26 s PRO 198 CO -0.00 0.51 -0.14 0.12 0.04 0.00 0.00 177.00 177.52 3i26 s PHE 199 N -1.23 2.38 0.13 0.56 5.36 -0.38 -4.62 117.98 120.17 3i26 s PHE 199 Ca 0.40 -1.42 0.04 0.00 -0.96 0.00 0.00 56.93 54.98 3i26 s PHE 199 Cb -0.24 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 3i26 s PHE 199 CO 0.29 -0.72 -0.09 0.00 -1.46 0.00 0.00 175.22 173.23 3i26 s TYR 201 N -3.27 -0.33 -0.32 0.00 -0.85 -0.52 -4.95 117.35 107.11 3i26 s TYR 201 Ca 0.14 0.03 -0.12 0.00 -0.52 0.00 0.00 57.07 56.60 3i26 s TYR 201 Cb 0.02 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 3i26 s TYR 201 CO -0.01 -0.95 0.20 -0.51 -1.52 0.00 0.00 175.55 172.76 3i26 s LEU 202 N -2.81 4.30 0.00 -3.49 1.43 -1.26 -1.52 118.68 115.34 3i26 s LEU 202 Ca 0.07 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3i26 s LEU 202 Cb -0.03 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3i26 s LEU 202 CO -0.03 -0.19 0.30 -0.46 0.23 0.00 0.00 176.35 176.20 3i26 n ASN 203 N 5.06 0.42 -2.75 2.29 6.94 -0.66 -4.85 115.26 121.72 3i26 n ASN 203 Ca -0.13 -1.35 -0.01 0.00 -0.02 0.00 0.00 54.58 53.07 3i26 n ASN 203 Cb 0.50 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3i26 n ASN 203 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i26 n HIS 204 N -1.79 -2.33 -1.24 -2.53 8.25 -1.26 -4.05 115.22 110.26 3i26 n HIS 204 Ca 0.05 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 3i26 n HIS 204 Cb 0.18 -3.60 0.00 0.00 1.12 0.00 0.00 29.99 27.69 3i26 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i26 n GLY 205 N -1.58 -2.29 3.68 -1.41 0.00 -1.26 -4.74 105.19 97.58 3i26 n GLY 205 Ca -0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3i26 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i26 s PHE 207 N -2.68 2.27 -0.05 0.00 5.36 0.50 -4.83 117.98 118.56 3i26 s PHE 207 Ca 0.66 -1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 3i26 s PHE 207 Cb -0.22 -1.58 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 3i26 s PHE 207 CO 0.58 -0.51 1.02 0.99 -1.46 0.00 0.00 175.22 175.85 3i26 s THR 208 N 0.82 4.74 -0.29 0.12 2.01 -1.26 -1.01 115.64 120.76 3i26 s THR 208 Ca -0.09 1.98 -0.14 0.00 0.31 0.00 0.00 61.69 63.75 3i26 s THR 208 Cb -0.16 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.21 3i26 s THR 208 CO 0.00 0.08 0.82 0.28 -0.69 0.00 0.00 174.62 175.10 3i26 s THR 209 N 1.55 -0.33 -0.82 -0.82 -1.32 -1.04 -4.98 115.64 107.88 3i26 s THR 209 Ca 0.51 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.97 3i26 s THR 209 Cb -0.21 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3i26 s THR 209 CO 0.23 0.00 0.68 0.61 -2.21 0.00 0.00 174.62 173.93 3i26 n GLY 210 N 4.54 -1.24 0.00 6.08 0.00 -1.26 -4.64 105.19 108.66 3i26 n GLY 210 Ca -0.16 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i26 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i26 n GLY 211 N -1.70 0.14 0.00 -0.02 0.00 -1.26 -4.98 105.19 97.37 3i26 n GLY 211 Ca -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3i26 n GLY 211 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i26 n SER 212 N 0.00 0.00 -4.45 1.61 2.88 -1.26 -5.00 113.62 107.40 3i26 n SER 212 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 3i26 n SER 212 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3i26 n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i26 s LEU 214 N 3.24 4.48 0.43 0.00 1.43 -0.18 -4.70 118.68 123.38 3i26 s LEU 214 Ca 0.19 1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.05 3i26 s LEU 214 Cb -0.18 -2.64 -0.09 0.00 0.03 0.00 0.00 46.19 43.31 3i26 s LEU 214 CO 0.12 0.31 1.41 -2.65 0.23 0.00 0.00 176.35 175.77 3i26 n PRO 215 N 1.84 2.26 -3.45 1.29 -0.02 -1.26 -0.37 135.00 135.29 3i26 n PRO 215 Ca -0.13 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 3i26 n PRO 215 Cb 0.52 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 3i26 n PRO 215 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i26 s PHE 216 N -1.18 3.28 -0.10 6.00 5.36 -0.68 -4.79 117.98 125.87 3i26 s PHE 216 Ca 0.60 -1.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.34 3i26 s PHE 216 Cb -0.47 -3.20 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 3i26 s PHE 216 CO 0.59 -0.85 0.06 0.20 -1.46 0.00 0.00 175.22 173.76 3i26 s GLY 217 N 2.59 0.33 0.10 13.12 0.00 -1.26 -1.42 107.32 120.78 3i26 s GLY 217 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.68 3i26 s GLY 217 CO 0.04 1.47 -0.04 -1.34 0.00 0.00 0.00 173.10 173.24 3i26 s VAL 218 N 2.11 0.52 -0.07 1.40 -7.23 -0.62 -1.91 120.40 114.60 3i26 s VAL 218 Ca 0.04 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 57.99 3i26 s VAL 218 Cb -0.14 -1.72 0.08 0.00 0.56 0.00 0.00 36.38 35.17 3i26 s VAL 218 CO -0.06 -0.83 0.75 -0.94 -0.31 0.00 0.00 175.10 173.71 3i26 s SER 219 N -3.03 -0.60 -0.19 4.85 1.04 -0.49 -1.28 113.70 114.01 3i26 s SER 219 Ca 0.13 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 3i26 s SER 219 Cb 0.06 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3i26 s SER 219 CO -0.05 -0.55 0.00 -0.31 0.98 0.00 0.00 173.24 173.31 3i26 s TYR 220 N -1.18 3.06 0.01 5.02 2.02 0.05 -1.08 117.35 125.25 3i26 s TYR 220 Ca -0.09 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 3i26 s TYR 220 Cb -0.00 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3i26 s TYR 220 CO 0.08 -0.16 -0.02 0.08 -1.57 0.00 0.00 175.55 173.96 3i26 s VAL 221 N 0.82 0.11 0.01 0.71 1.01 -0.21 -1.69 120.40 121.16 3i26 s VAL 221 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 3i26 s VAL 221 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3i26 s VAL 221 CO 0.02 -0.28 0.01 -1.54 0.00 0.00 0.00 175.10 173.31 3i26 n SER 222 N 2.21 -0.02 0.25 3.32 3.41 -0.37 -0.42 113.62 121.99 3i26 n SER 222 Ca -0.19 -1.03 0.13 0.00 -0.26 0.00 0.00 58.87 57.52 3i26 n SER 222 Cb 0.57 0.04 0.77 0.00 -0.26 0.00 0.00 64.21 65.33 3i26 n SER 222 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i26 h ASP 223 N 0.03 0.00 -0.14 4.04 5.19 -2.02 -3.13 116.42 120.40 3i26 h ASP 223 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i26 h ASP 223 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3i26 h ASP 223 CO 0.01 0.00 0.00 -0.24 -3.12 0.00 0.00 179.24 175.89 3i26 n SER 224 N -4.18 2.21 -3.64 6.45 2.88 -1.26 -5.04 113.62 111.03 3i26 n SER 224 Ca -0.01 -1.74 -0.13 0.00 -1.33 0.00 0.00 58.87 55.66 3i26 n SER 224 Cb 0.16 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 3i26 n SER 224 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i26 s PHE 225 N -0.84 -0.78 -0.07 0.66 5.36 -1.18 -5.11 117.98 116.02 3i26 s PHE 225 Ca 0.12 1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 57.90 3i26 s PHE 225 Cb 0.07 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 43.08 3i26 s PHE 225 CO 0.09 -0.38 0.15 -0.47 -1.46 0.00 0.00 175.22 173.16 3i26 s TYR 226 N 0.52 -0.17 -0.11 10.12 5.04 -1.26 -1.24 117.35 130.25 3i26 s TYR 226 Ca -0.01 0.49 -0.05 0.00 -2.44 0.00 0.00 57.07 55.05 3i26 s TYR 226 Cb -0.05 -0.07 0.05 0.00 0.35 0.00 0.00 41.96 42.24 3i26 s TYR 226 CO -0.02 -0.16 0.25 -0.47 -1.34 0.00 0.00 175.55 173.81 3i26 s TYR 227 N 1.10 -0.35 0.24 4.97 5.04 -0.68 -5.02 117.35 122.64 3i26 s TYR 227 Ca -0.09 0.83 -0.11 0.00 -2.44 0.00 0.00 57.07 55.26 3i26 s TYR 227 Cb -0.11 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 3i26 s TYR 227 CO -0.06 -0.26 0.43 0.20 -1.34 0.00 0.00 175.55 174.52 3i26 s GLY 228 N 1.51 0.62 -0.03 8.97 0.00 -1.26 -0.77 107.32 116.36 3i26 s GLY 228 Ca -0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 3i26 s GLY 228 CO -0.09 -0.71 0.10 -0.47 0.00 0.00 0.00 173.10 171.93 3i26 s TYR 229 N -4.03 -0.06 -0.17 1.90 5.04 -0.40 -5.00 117.35 114.64 3i26 s TYR 229 Ca 0.24 0.14 -0.09 0.00 -2.44 0.00 0.00 57.07 54.92 3i26 s TYR 229 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 41.96 42.37 3i26 s TYR 229 CO 0.09 -0.11 0.40 -0.47 -1.34 0.00 0.00 175.55 174.12 3i26 s TYR 230 N -0.34 -0.58 -0.20 4.97 5.04 -1.26 -1.58 117.35 123.40 3i26 s TYR 230 Ca -0.04 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.78 3i26 s TYR 230 Cb -0.03 0.25 0.10 0.00 0.35 0.00 0.00 41.96 42.63 3i26 s TYR 230 CO 0.00 -0.33 0.40 0.34 -1.34 0.00 0.00 175.55 174.62 3i26 s ASP 231 N 1.37 -0.14 0.00 4.32 -1.08 -0.50 -4.99 116.67 115.65 3i26 s ASP 231 Ca -0.09 0.84 0.09 0.00 -0.52 0.00 0.00 52.55 52.87 3i26 s ASP 231 Cb -0.08 1.27 0.23 0.00 -1.46 0.00 0.00 42.92 42.87 3i26 s ASP 231 CO -0.12 -0.24 1.15 0.00 0.52 0.00 0.00 175.17 176.47 3i26 n ALA 232 N 5.38 2.19 -1.68 3.66 0.00 -1.26 -1.69 120.51 127.11 3i26 n ALA 232 Ca -0.07 -1.04 -0.45 0.00 0.00 0.00 0.00 53.44 51.87 3i26 n ALA 232 Cb 0.50 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 3i26 n ALA 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i26 n THR 233 N 0.36 0.40 -0.91 0.00 -1.04 -1.26 -4.29 114.28 107.54 3i26 n THR 233 Ca 0.09 -0.07 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 3i26 n THR 233 Cb 0.37 -1.92 0.15 0.00 -1.82 0.00 0.00 70.33 67.12 3i26 n THR 233 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i26 s PRO 234 N 2.96 1.12 -0.05 -2.82 0.02 -1.26 -1.70 135.00 133.26 3i26 s PRO 234 Ca 0.86 1.23 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 3i26 s PRO 234 Cb -0.60 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 3i26 s PRO 234 CO 0.43 -2.46 0.53 -0.65 -0.33 0.00 0.00 177.00 174.52 3i26 s GLN 235 N -4.74 4.28 0.00 5.54 -1.52 -1.26 -4.87 119.66 117.09 3i26 s GLN 235 Ca 0.65 0.59 0.00 0.00 -1.95 0.00 0.00 55.36 54.65 3i26 s GLN 235 Cb -0.21 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.21 3i26 s GLN 235 CO 0.58 0.31 0.83 0.44 -0.25 0.00 0.00 175.29 177.21 3i26 n ILE 236 N 3.03 0.00 -2.07 1.08 -5.35 -1.26 -4.81 119.36 109.98 3i26 n ILE 236 Ca -0.08 1.33 -0.22 0.00 -0.27 0.00 0.00 62.75 63.52 3i26 n ILE 236 Cb 0.51 -2.21 0.14 0.00 -1.74 0.00 0.00 39.64 36.34 3i26 n ILE 236 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i26 n GLY 237 N -0.87 -0.60 0.11 3.28 0.00 -1.26 -4.97 105.19 100.87 3i26 n GLY 237 Ca 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.29 3i26 n GLY 237 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i26 n SER 238 N -3.40 0.49 -4.82 1.61 2.88 -1.26 -4.71 113.62 104.41 3i26 n SER 238 Ca 0.14 0.65 -0.33 0.00 -1.33 0.00 0.00 58.87 58.00 3i26 n SER 238 Cb 0.48 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 3i26 n SER 238 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i26 s THR 239 N -3.29 4.19 -0.09 2.46 -4.23 -1.26 -5.09 115.64 108.32 3i26 s THR 239 Ca 0.03 1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 3i26 s THR 239 Cb 0.08 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.40 3i26 s THR 239 CO 0.30 -0.47 0.19 -0.70 -0.54 0.00 0.00 174.62 173.40 3i26 s GLU 240 N -3.68 0.09 -0.07 3.99 2.12 -1.26 -4.72 118.70 115.17 3i26 s GLU 240 Ca 0.62 0.54 0.04 0.00 0.36 0.00 0.00 54.97 56.53 3i26 s GLU 240 Cb -0.12 -0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.08 3i26 s GLU 240 CO 0.26 -0.24 -0.21 0.45 -0.54 0.00 0.00 175.26 174.98 3i26 s SER 241 N 1.84 2.64 0.05 -1.70 0.15 -1.26 -5.13 113.70 110.29 3i26 s SER 241 Ca -0.03 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.21 3i26 s SER 241 Cb -0.12 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 3i26 s SER 241 CO -0.07 0.15 -0.12 -1.00 1.20 0.00 0.00 173.24 173.41 3i26 s HIS 242 N 0.23 1.02 -0.06 3.44 3.76 -1.26 -4.65 115.29 117.78 3i26 s HIS 242 Ca -0.12 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3i26 s HIS 242 Cb -0.15 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 3i26 s HIS 242 CO 0.05 0.01 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.38 3i26 s ASP 243 N -1.47 4.69 -0.40 1.40 1.11 -1.26 -0.43 116.67 120.31 3i26 s ASP 243 Ca -0.03 -0.02 -0.26 0.00 0.18 0.00 0.00 52.55 52.41 3i26 s ASP 243 Cb -0.09 -1.18 0.02 0.00 1.07 0.00 0.00 42.92 42.74 3i26 s ASP 243 CO 0.01 0.35 0.97 -0.47 1.18 0.00 0.00 175.17 177.22 3i26 s TYR 244 N -0.84 3.00 0.02 4.23 5.04 -1.26 -1.66 117.35 125.88 3i26 s TYR 244 Ca 0.13 0.70 0.08 0.00 -2.44 0.00 0.00 57.07 55.53 3i26 s TYR 244 Cb -0.11 -3.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.32 3i26 s TYR 244 CO 0.02 -0.96 -0.23 0.08 -1.34 0.00 0.00 175.55 173.12 3i26 s VAL 245 N 3.71 1.86 0.03 3.14 1.01 -0.58 -4.90 120.40 124.67 3i26 s VAL 245 Ca 0.40 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3i26 s VAL 245 Cb -0.11 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3i26 s VAL 245 CO 0.22 0.38 -0.09 0.00 0.00 0.00 0.00 175.10 175.61 3i26 s ASP 247 N -1.04 3.72 -0.32 0.00 1.01 -0.01 -4.96 116.67 115.06 3i26 s ASP 247 Ca -0.03 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.75 3i26 s ASP 247 Cb -0.07 -0.60 0.01 0.00 1.01 0.00 0.00 42.92 43.26 3i26 s ASP 247 CO 0.01 0.28 0.14 -0.31 0.21 0.00 0.00 175.17 175.50 3i26 s TYR 248 N -0.84 3.19 -0.01 4.23 1.51 -1.26 -1.25 117.35 122.91 3i26 s TYR 248 Ca 0.13 -0.83 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 3i26 s TYR 248 Cb -0.10 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 3i26 s TYR 248 CO 0.03 -0.55 0.11 -0.51 -1.11 0.00 0.00 175.55 173.53 3i26 s LEU 249 N 1.55 4.05 -0.19 -1.29 1.43 0.12 -4.89 118.68 119.47 3i26 s LEU 249 Ca 0.03 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 3i26 s LEU 249 Cb -0.18 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3i26 s LEU 249 CO 0.05 0.27 0.58 0.12 0.23 0.00 0.00 176.35 177.60 3i26 s PHE 250 N -1.24 3.39 -0.01 0.29 5.36 -1.26 -1.13 117.98 123.38 3i26 s PHE 250 Ca 0.24 0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 3i26 s PHE 250 Cb -0.12 -2.74 0.01 0.00 -0.34 0.00 0.00 43.02 39.83 3i26 s PHE 250 CO 0.15 -0.11 0.03 -1.64 -1.46 0.00 0.00 175.22 172.19 3i26 s MET 251 N 1.67 0.01 0.58 10.12 -1.94 -0.55 -4.98 119.30 124.21 3i26 s MET 251 Ca 0.27 0.09 -0.16 0.00 -1.71 0.00 0.00 55.69 54.18 3i26 s MET 251 Cb -0.16 -0.06 -0.05 0.00 2.01 0.00 0.00 34.83 36.58 3i26 s MET 251 CO 0.10 -0.05 1.04 -1.21 -0.01 0.00 0.00 175.02 174.89 3i26 s GLU 252 N 0.33 3.48 0.57 2.03 2.02 -1.26 -0.11 118.70 125.75 3i26 s GLU 252 Ca -0.03 1.11 -0.20 0.00 0.02 0.00 0.00 54.97 55.87 3i26 s GLU 252 Cb -0.04 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 3i26 s GLU 252 CO -0.01 -0.67 1.12 -0.35 0.02 0.00 0.00 175.26 175.37 3i26 n PRO 253 N -1.98 1.22 -1.00 0.39 -0.04 -1.26 -4.85 135.00 127.47 3i26 n PRO 253 Ca 0.08 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3i26 n PRO 253 Cb 0.53 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 3i26 n PRO 253 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i26 n GLY 254 N 1.08 0.28 3.85 0.55 0.00 0.17 -4.98 105.19 106.14 3i26 n GLY 254 Ca 0.12 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 3i26 n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i26 s THR 255 N -1.92 5.48 0.13 2.61 2.01 -1.26 -0.59 115.64 122.08 3i26 s THR 255 Ca 0.00 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3i26 s THR 255 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3i26 s THR 255 CO 0.00 0.58 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.10 3i26 s TYR 256 N -0.76 1.18 -0.14 4.92 2.02 0.39 -4.82 117.35 120.14 3i26 s TYR 256 Ca 0.14 -0.74 -0.16 0.00 -0.37 0.00 0.00 57.07 55.95 3i26 s TYR 256 Cb -0.12 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3i26 s TYR 256 CO 0.03 0.04 0.38 -0.80 -1.57 0.00 0.00 175.55 173.63 3i26 s ASN 257 N -2.91 6.56 -0.49 2.29 0.01 0.44 -0.91 114.94 119.92 3i26 s ASN 257 Ca 0.13 0.66 -0.17 0.00 -0.71 0.00 0.00 52.86 52.77 3i26 s ASN 257 Cb 0.01 -2.23 0.07 0.00 0.41 0.00 0.00 41.25 39.50 3i26 s ASN 257 CO -0.00 0.06 0.50 0.00 -1.51 0.00 0.00 177.10 176.15 3i26 s ALA 258 N 0.50 3.48 0.15 0.60 0.00 0.12 -1.04 121.76 125.57 3i26 s ALA 258 Ca 0.21 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.28 3i26 s ALA 258 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3i26 s ALA 258 CO 0.07 -1.86 0.03 -1.12 0.00 0.00 0.00 175.76 172.88 3i26 s SER 259 N 2.65 4.99 0.01 0.00 0.01 -0.24 -1.52 113.70 119.60 3i26 s SER 259 Ca 0.09 -0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 3i26 s SER 259 Cb -0.22 -1.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.85 3i26 s SER 259 CO 0.09 0.11 0.05 0.28 0.41 0.00 0.00 173.24 174.18 3i26 s THR 260 N -1.62 0.09 -0.30 1.44 -1.32 -0.39 -1.39 115.64 112.16 3i26 s THR 260 Ca 0.28 -0.74 0.28 0.00 -1.21 0.00 0.00 61.69 60.29 3i26 s THR 260 Cb -0.10 -0.32 0.32 0.00 -1.51 0.00 0.00 72.50 70.90 3i26 s THR 260 CO 0.19 -0.41 1.80 -0.37 -2.21 0.00 0.00 174.62 173.63 3i26 h VAL 261 N 4.53 0.00 0.00 5.08 -1.51 -1.68 -1.96 116.25 120.71 3i26 h VAL 261 Ca -0.31 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3i26 h VAL 261 Cb 1.20 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3i26 h VAL 261 CO 0.41 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 3i26 n GLY 262 N 0.42 3.97 5.00 5.19 0.00 -1.26 -2.87 105.19 115.65 3i26 n GLY 262 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3i26 n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i26 n LYS 263 N -1.39 0.00 -3.35 1.61 3.00 -1.17 -4.80 118.16 112.06 3i26 n LYS 263 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 3i26 n LYS 263 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 3i26 n LYS 263 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3i26 s PHE 264 N 0.00 3.56 -0.10 5.64 0.40 -1.26 -0.24 117.98 125.98 3i26 s PHE 264 Ca 0.00 0.92 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 3i26 s PHE 264 Cb 0.00 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 41.04 3i26 s PHE 264 CO 0.00 0.27 -0.15 -1.17 0.70 0.00 0.00 175.22 174.87 3i26 s LEU 265 N 0.25 1.73 -0.13 -0.37 2.96 -0.19 -4.69 118.68 118.23 3i26 s LEU 265 Ca 0.26 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3i26 s LEU 265 Cb -0.16 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.48 3i26 s LEU 265 CO 0.11 0.02 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.30 3i26 s VAL 266 N 0.92 1.75 -0.03 1.68 1.01 -1.26 -1.37 120.40 123.10 3i26 s VAL 266 Ca -0.08 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 3i26 s VAL 266 Cb -0.15 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3i26 s VAL 266 CO -0.00 0.49 0.27 -0.72 0.00 0.00 0.00 175.10 175.14 3i26 s TYR 267 N 1.07 -0.16 0.32 5.22 -0.85 -0.94 -4.72 117.35 117.29 3i26 s TYR 267 Ca -0.03 0.27 -0.28 0.00 -0.52 0.00 0.00 57.07 56.52 3i26 s TYR 267 Cb -0.14 0.07 -0.09 0.00 0.38 0.00 0.00 41.96 42.17 3i26 s TYR 267 CO -0.05 -0.33 1.10 -1.25 -1.52 0.00 0.00 175.55 173.50 3i26 s PRO 268 N -1.10 4.47 -0.00 -3.49 0.04 -1.26 0.76 135.00 134.41 3i26 s PRO 268 Ca -0.12 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3i26 s PRO 268 Cb -0.05 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 3i26 s PRO 268 CO 0.03 0.07 0.10 0.25 0.04 0.00 0.00 177.00 177.49 3i26 n THR 269 N 0.79 0.00 -3.98 1.26 -2.24 -1.26 -4.82 114.28 104.02 3i26 n THR 269 Ca 0.01 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3i26 n THR 269 Cb 0.46 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 3i26 n THR 269 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i26 s LYS 270 N -1.22 0.55 0.14 -0.78 1.02 -1.26 -0.90 119.74 117.29 3i26 s LYS 270 Ca 0.01 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 55.01 3i26 s LYS 270 Cb 0.02 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 3i26 s LYS 270 CO 0.10 -0.12 0.30 -1.54 -0.92 0.00 0.00 175.35 173.17 3i26 s SER 271 N -2.27 -0.01 -0.47 2.83 1.04 -0.94 -4.70 113.70 109.18 3i26 s SER 271 Ca -0.03 -0.68 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 3i26 s SER 271 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 3i26 s SER 271 CO -0.06 -0.86 0.73 -0.31 0.98 0.00 0.00 173.24 173.73 3i26 s TYR 272 N -3.90 3.00 -0.06 5.02 1.51 -0.78 -1.15 117.35 120.99 3i26 s TYR 272 Ca 0.10 -0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.85 3i26 s TYR 272 Cb 0.03 -3.59 -0.03 0.00 -0.11 0.00 0.00 41.96 38.27 3i26 s TYR 272 CO -0.05 -1.00 1.10 0.00 -1.11 0.00 0.00 175.55 174.49 3i26 s MET 274 N 1.93 0.99 0.00 0.00 -1.94 -0.73 -0.54 119.30 119.02 3i26 s MET 274 Ca 0.53 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3i26 s MET 274 Cb -0.22 -1.05 0.00 0.00 2.01 0.00 0.00 34.83 35.57 3i26 s MET 274 CO 0.21 0.25 0.00 -0.40 -0.01 0.00 0.00 175.02 175.08 3i26 n ASP 275 N 1.66 0.00 -4.16 3.03 5.68 -1.10 -0.36 116.55 121.30 3i26 n ASP 275 Ca -0.19 -0.97 -0.27 0.00 -0.50 0.00 0.00 54.79 52.86 3i26 n ASP 275 Cb 0.54 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.36 3i26 n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i26 s THR 276 N 0.51 1.58 0.13 2.12 2.01 -1.26 -4.13 115.64 116.58 3i26 s THR 276 Ca 0.00 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.29 3i26 s THR 276 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3i26 s THR 276 CO 0.00 0.45 -0.14 0.00 -0.69 0.00 0.00 174.62 174.24 3i26 s MET 277 N 0.04 1.95 -0.23 4.92 0.23 -0.58 -4.72 119.30 120.91 3i26 s MET 277 Ca -0.05 -1.15 0.05 0.00 -1.03 0.00 0.00 55.69 53.51 3i26 s MET 277 Cb -0.12 -2.18 0.46 0.00 -1.53 0.00 0.00 34.83 31.46 3i26 s MET 277 CO 0.03 0.48 1.46 0.09 -2.03 0.00 0.00 175.02 175.05 3i26 n ASN 278 N 0.60 3.70 -4.20 -1.18 3.02 -1.26 -4.72 115.26 111.22 3i26 n ASN 278 Ca -0.14 -2.84 -0.14 0.00 -0.03 0.00 0.00 54.58 51.44 3i26 n ASN 278 Cb 0.53 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 3i26 n ASN 278 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i26 s ILE 279 N -2.10 1.01 -0.23 2.41 -4.36 -1.26 -5.15 121.20 111.53 3i26 s ILE 279 Ca 0.35 -1.83 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 3i26 s ILE 279 Cb 0.29 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.43 3i26 s ILE 279 CO 0.08 -0.65 -0.08 -0.89 0.24 0.00 0.00 174.94 173.63 3i26 s THR 280 N -2.88 2.85 -0.12 8.37 2.01 -1.26 -4.55 115.64 120.07 3i26 s THR 280 Ca 0.10 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3i26 s THR 280 Cb -0.00 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.17 3i26 s THR 280 CO -0.00 0.33 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.45 3i26 s VAL 281 N 1.36 1.32 0.59 3.82 1.01 -0.56 -5.03 120.40 122.91 3i26 s VAL 281 Ca 0.03 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 3i26 s VAL 281 Cb -0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i26 s VAL 281 CO -0.06 0.41 1.34 -2.16 0.00 0.00 0.00 175.10 174.63 3i26 s PRO 282 N 1.35 2.90 0.63 2.72 0.04 -1.26 -4.33 135.00 137.05 3i26 s PRO 282 Ca 0.00 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 3i26 s PRO 282 Cb -0.14 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3i26 s PRO 282 CO -0.06 -1.36 0.89 0.14 0.04 0.00 0.00 177.00 176.64 3i26 s VAL 283 N -1.34 2.47 -0.05 -0.36 -7.23 -0.53 -4.68 120.40 108.68 3i26 s VAL 283 Ca 0.76 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 60.48 3i26 s VAL 283 Cb -0.39 -2.97 -0.00 0.00 0.56 0.00 0.00 36.38 33.57 3i26 s VAL 283 CO 0.45 0.00 -0.19 -1.10 -0.31 0.00 0.00 175.10 173.95 3i26 s GLN 284 N -4.99 2.00 -0.03 4.82 -0.21 -0.03 0.03 119.66 121.25 3i26 s GLN 284 Ca 0.59 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 55.34 3i26 s GLN 284 Cb -0.10 -1.70 -0.00 0.00 1.00 0.00 0.00 33.01 32.20 3i26 s GLN 284 CO 0.41 0.25 -0.14 0.00 -2.12 0.00 0.00 175.29 173.70 3i26 s ALA 285 N 0.06 1.24 -0.11 6.09 0.00 -0.44 -0.09 121.76 128.51 3i26 s ALA 285 Ca -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3i26 s ALA 285 Cb -0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3i26 s ALA 285 CO 0.03 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.12 3i26 s VAL 286 N 0.01 4.41 -0.03 0.00 1.01 -0.07 -0.83 120.40 124.89 3i26 s VAL 286 Ca -0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 61.98 61.40 3i26 s VAL 286 Cb -0.09 -2.89 -0.15 0.00 0.00 0.00 0.00 36.38 33.25 3i26 s VAL 286 CO 0.01 0.57 1.63 1.67 0.00 0.00 0.00 175.10 178.98 3i26 n GLN 287 N 2.52 1.62 -3.99 2.72 -0.06 -0.81 -4.62 117.38 114.77 3i26 n GLN 287 Ca -0.18 0.59 -0.32 0.00 -2.00 0.00 0.00 57.00 55.09 3i26 n GLN 287 Cb 0.53 -2.32 -0.15 0.00 -4.06 0.00 0.00 30.24 24.25 3i26 n GLN 287 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i26 s SER 288 N 2.21 4.83 0.24 1.69 0.15 -1.26 -4.88 113.70 116.68 3i26 s SER 288 Ca 0.89 -2.12 0.01 0.00 0.70 0.00 0.00 55.95 55.42 3i26 s SER 288 Cb -0.86 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 3i26 s SER 288 CO 0.51 -0.40 0.11 0.27 1.20 0.00 0.00 173.24 174.92 3i26 s ILE 289 N 0.94 0.38 0.52 6.45 -4.36 -1.26 -3.71 121.20 120.16 3i26 s ILE 289 Ca 0.10 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.47 3i26 s ILE 289 Cb -0.20 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3i26 s ILE 289 CO -0.07 -0.01 0.77 0.26 0.24 0.00 0.00 174.94 176.13 3i26 s TRP 290 N -3.88 3.20 1.01 1.37 0.52 -1.26 -4.95 118.94 114.94 3i26 s TRP 290 Ca 0.38 0.38 -0.12 0.00 0.02 0.00 0.00 56.10 56.76 3i26 s TRP 290 Cb 0.08 -2.52 0.15 0.00 -1.15 0.00 0.00 33.47 30.02 3i26 s TRP 290 CO 0.13 -0.59 0.82 -1.13 0.02 0.00 0.00 176.95 176.20 3i26 n SER 291 N -2.31 -0.98 0.20 2.95 3.41 -1.26 -4.44 113.62 111.19 3i26 n SER 291 Ca 0.03 0.21 0.16 0.00 -0.26 0.00 0.00 58.87 59.02 3i26 n SER 291 Cb 0.58 -1.31 0.81 0.00 -0.26 0.00 0.00 64.21 64.03 3i26 n SER 291 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i26 h GLU 292 N -2.02 0.00 -0.00 4.33 5.08 -1.95 -2.04 114.58 117.99 3i26 h GLU 292 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3i26 h GLU 292 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3i26 h GLU 292 CO 0.41 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 178.21 3i26 n GLN 293 N -3.91 0.03 -4.16 2.33 10.64 -1.26 -4.82 117.38 116.22 3i26 n GLN 293 Ca 0.01 -0.01 -0.24 0.00 -1.83 0.00 0.00 57.00 54.93 3i26 n GLN 293 Cb 0.30 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.12 3i26 n GLN 293 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i26 s TYR 294 N -2.98 2.99 -0.33 2.61 1.51 -0.77 -5.09 117.35 115.30 3i26 s TYR 294 Ca 0.13 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 55.80 3i26 s TYR 294 Cb 0.18 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.66 3i26 s TYR 294 CO 0.60 0.54 1.04 0.00 -1.11 0.00 0.00 175.55 176.61 3i26 s ALA 295 N -1.96 3.48 0.56 3.71 0.00 -1.26 -4.83 121.76 121.45 3i26 s ALA 295 Ca 0.31 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.21 3i26 s ALA 295 Cb -0.09 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.47 3i26 s ALA 295 CO 0.22 -1.50 0.67 -1.12 0.00 0.00 0.00 175.76 174.03 3i26 s SER 296 N 1.71 4.98 0.37 0.00 0.01 -1.26 -2.20 113.70 117.30 3i26 s SER 296 Ca 0.44 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.79 3i26 s SER 296 Cb -0.12 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 3i26 s SER 296 CO 0.16 -1.26 0.16 1.51 0.41 0.00 0.00 173.24 174.23 3i26 s ASP 297 N -4.54 2.28 -0.28 2.44 -4.77 -1.26 -4.61 116.67 105.92 3i26 s ASP 297 Ca 0.54 -1.66 0.10 0.00 -3.30 0.00 0.00 52.55 48.22 3i26 s ASP 297 Cb -0.05 0.48 0.50 0.00 -1.09 0.00 0.00 42.92 42.77 3i26 s ASP 297 CO 0.34 -0.94 1.45 -0.67 0.70 0.00 0.00 175.17 176.05 3i26 n ASP 298 N -1.26 2.60 -0.22 2.11 2.03 -1.26 -4.76 116.55 115.79 3i26 n ASP 298 Ca -0.02 -3.69 -0.07 0.00 0.52 0.00 0.00 54.79 51.53 3i26 n ASP 298 Cb 0.64 -0.62 0.03 0.00 -0.72 0.00 0.00 41.12 40.45 3i26 n ASP 298 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i26 h ALA 299 N 1.06 0.80 -0.02 -1.67 0.00 -1.97 0.61 119.26 118.06 3i26 h ALA 299 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i26 h ALA 299 Cb 1.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i26 h ALA 299 CO 0.36 0.40 0.02 0.82 0.00 0.00 0.00 179.25 180.85 3i26 h ILE 300 N 0.86 1.03 -0.58 0.00 1.08 -1.94 0.75 117.51 118.71 3i26 h ILE 300 Ca 0.21 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 3i26 h ILE 300 Cb 0.18 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3i26 h ILE 300 CO -0.02 0.03 0.29 1.23 -0.69 0.00 0.00 178.15 178.98 3i26 h GLY 301 N 0.00 0.87 1.73 5.37 0.00 -1.85 0.39 103.07 109.57 3i26 h GLY 301 Ca 0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 3i26 h GLY 301 CO -0.00 0.38 -0.49 1.46 0.00 0.00 0.00 176.54 177.88 3i26 h GLN 302 N 0.81 0.29 0.09 4.80 1.08 -0.44 -3.28 115.11 118.47 3i26 h GLN 302 Ca 0.20 -0.16 -0.27 0.00 -1.45 0.00 0.00 58.65 56.97 3i26 h GLN 302 Cb 0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3i26 h GLN 302 CO -0.03 0.72 -1.28 0.00 -0.95 0.00 0.00 178.83 177.29 3i26 h ALA 303 N 1.25 0.24 -1.55 3.87 0.00 -0.24 -3.41 119.26 119.42 3i26 h ALA 303 Ca 0.01 -0.98 -0.69 0.00 0.00 0.00 0.00 54.91 53.25 3i26 h ALA 303 Cb 0.95 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 3i26 h ALA 303 CO 0.08 1.12 1.33 0.00 0.00 0.00 0.00 179.25 181.78 3i26 s LYS 305 N 2.92 1.86 0.48 0.00 -0.14 -1.26 -4.41 119.74 119.20 3i26 s LYS 305 Ca 0.41 -1.12 -0.23 0.00 -1.36 0.00 0.00 55.97 53.68 3i26 s LYS 305 Cb -0.02 -2.13 -0.08 0.00 -1.68 0.00 0.00 37.83 33.92 3i26 s LYS 305 CO -0.04 0.50 1.07 0.00 -0.76 0.00 0.00 175.35 176.12 3i26 n ALA 306 N 1.06 0.49 0.78 5.17 0.00 -1.22 -1.17 120.51 125.63 3i26 n ALA 306 Ca -0.16 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3i26 n ALA 306 Cb 0.52 -2.14 0.29 0.00 0.00 0.00 0.00 19.45 18.12 3i26 n ALA 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i26 n PRO 307 N -0.28 2.08 -0.01 0.00 -0.04 -1.26 -4.86 135.00 130.63 3i26 n PRO 307 Ca 0.10 -1.64 0.10 0.00 -0.04 0.00 0.00 63.50 62.02 3i26 n PRO 307 Cb 0.42 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 3i26 n PRO 307 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i26 n TYR 308 N 0.86 0.00 -3.86 0.54 0.18 -0.77 -4.68 117.16 109.43 3i26 n TYR 308 Ca 0.17 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.83 3i26 n TYR 308 Cb 0.45 -0.34 -0.13 0.00 -0.38 0.00 0.00 39.34 38.94 3i26 n TYR 308 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3i26 s ILE 310 N -0.24 4.26 -0.19 0.00 1.01 0.10 -3.45 121.20 122.70 3i26 s ILE 310 Ca -0.03 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 3i26 s ILE 310 Cb -0.02 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3i26 s ILE 310 CO 0.00 -0.17 0.40 0.12 0.00 0.00 0.00 174.94 175.29 3i26 s PHE 311 N 1.50 3.40 -0.56 3.97 5.36 -1.26 -1.33 117.98 129.06 3i26 s PHE 311 Ca 0.01 0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 56.54 3i26 s PHE 311 Cb -0.19 -2.51 0.15 0.00 -0.34 0.00 0.00 43.02 40.12 3i26 s PHE 311 CO 0.05 0.03 0.43 0.71 -1.46 0.00 0.00 175.22 174.98 3i26 s TYR 312 N 1.17 3.48 0.68 10.12 2.02 -0.01 -4.93 117.35 129.87 3i26 s TYR 312 Ca 0.20 -2.09 -0.11 0.00 -0.37 0.00 0.00 57.07 54.69 3i26 s TYR 312 Cb -0.15 -3.48 -0.00 0.00 -0.40 0.00 0.00 41.96 37.93 3i26 s TYR 312 CO 0.08 -0.96 1.08 1.21 -1.57 0.00 0.00 175.55 175.38 3i26 s ASN 313 N 2.14 5.71 -0.02 2.29 3.84 -1.26 -1.92 114.94 125.72 3i26 s ASN 313 Ca 0.10 1.23 -0.16 0.00 0.21 0.00 0.00 52.86 54.24 3i26 s ASN 313 Cb -0.22 -2.11 -0.05 0.00 -0.55 0.00 0.00 41.25 38.31 3i26 s ASN 313 CO -0.03 -1.18 0.44 -0.54 -2.79 0.00 0.00 177.10 173.00 3i26 s LYS 314 N -5.30 4.06 0.08 0.43 1.02 -1.26 -4.88 119.74 113.88 3i26 s LYS 314 Ca 0.57 0.45 0.22 0.00 0.02 0.00 0.00 55.97 57.23 3i26 s LYS 314 Cb -0.11 -3.28 -0.17 0.00 -0.52 0.00 0.00 37.83 33.76 3i26 s LYS 314 CO 0.53 0.55 0.75 0.25 -0.92 0.00 0.00 175.35 176.51 3i26 n THR 315 N 2.27 0.41 -3.80 2.17 -2.24 -1.26 -4.97 114.28 106.86 3i26 n THR 315 Ca -0.12 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 60.91 3i26 n THR 315 Cb 0.52 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 3i26 n THR 315 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i26 s THR 316 N -3.37 3.97 1.05 4.28 -4.23 -1.26 -5.12 115.64 110.95 3i26 s THR 316 Ca -0.04 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 3i26 s THR 316 Cb 0.11 -3.33 0.22 0.00 1.34 0.00 0.00 72.50 70.84 3i26 s THR 316 CO 0.85 -0.21 1.08 -2.84 -0.54 0.00 0.00 174.62 172.96 3i26 s PRO 317 N -4.01 0.00 -0.30 3.99 0.02 -1.26 -4.92 135.00 128.52 3i26 s PRO 317 Ca 0.40 0.47 -0.29 0.00 0.02 0.00 0.00 61.00 61.61 3i26 s PRO 317 Cb -0.07 -1.69 -0.02 0.00 0.02 0.00 0.00 34.50 32.74 3i26 s PRO 317 CO 0.28 -3.01 1.68 -0.47 -0.33 0.00 0.00 177.00 175.15 3i26 s TYR 318 N -2.90 1.99 -0.16 6.54 5.04 -1.26 -4.93 117.35 121.67 3i26 s TYR 318 Ca 0.66 0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 3i26 s TYR 318 Cb -0.19 -4.11 0.05 0.00 0.35 0.00 0.00 41.96 38.06 3i26 s TYR 318 CO 0.58 -2.81 0.03 0.99 -1.34 0.00 0.00 175.55 173.00 3i26 s THR 319 N 6.10 0.43 -0.20 4.34 2.01 -1.26 -4.55 115.64 122.50 3i26 s THR 319 Ca 0.74 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 3i26 s THR 319 Cb -0.22 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3i26 s THR 319 CO 0.32 -0.08 0.00 -0.69 -0.69 0.00 0.00 174.62 173.48 3i26 s VAL 320 N 1.91 3.97 -0.02 3.82 1.01 -1.26 -1.76 120.40 128.08 3i26 s VAL 320 Ca 0.01 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.79 3i26 s VAL 320 Cb -0.16 -2.80 -0.17 0.00 0.00 0.00 0.00 36.38 33.26 3i26 s VAL 320 CO -0.07 0.43 0.23 0.35 0.00 0.00 0.00 175.10 176.03 3i26 n THR 321 N 4.26 0.06 -3.06 3.92 -2.24 -1.26 -4.83 114.28 111.14 3i26 n THR 321 Ca -0.17 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.18 3i26 n THR 321 Cb 0.52 0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3i26 n THR 321 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i26 n ASN 322 N -1.93 -0.20 -3.74 3.42 5.15 -1.26 -5.12 115.26 111.58 3i26 n ASN 322 Ca -0.03 -3.16 -0.19 0.00 -0.60 0.00 0.00 54.58 50.59 3i26 n ASN 322 Cb 0.34 0.13 -0.09 0.00 -0.53 0.00 0.00 39.78 39.62 3i26 n ASN 322 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3i26 s GLY 323 N -1.97 2.19 0.30 8.20 0.00 -1.26 -4.93 107.32 109.84 3i26 s GLY 323 Ca 0.35 -1.82 0.16 0.00 0.00 0.00 0.00 44.72 43.40 3i26 s GLY 323 CO -0.08 -1.55 1.56 1.48 0.00 0.00 0.00 173.10 174.51 3i26 h SER 324 N 2.17 0.00 -2.28 1.64 4.64 -1.31 -3.46 113.55 114.94 3i26 h SER 324 Ca -0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 3i26 h SER 324 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3i26 h SER 324 CO 0.46 0.51 0.08 -0.90 -0.87 0.00 0.00 176.83 176.11 3i26 n ASP 325 N -3.40 -1.09 0.10 4.97 5.68 -1.26 -5.01 116.55 116.54 3i26 n ASP 325 Ca 0.01 -1.90 0.10 0.00 -0.50 0.00 0.00 54.79 52.50 3i26 n ASP 325 Cb 0.65 1.86 0.43 0.00 -1.14 0.00 0.00 41.12 42.92 3i26 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i26 n ALA 326 N -1.72 1.52 -0.56 2.12 0.00 -1.26 -2.35 120.51 118.26 3i26 n ALA 326 Ca -0.09 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3i26 n ALA 326 Cb 0.32 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.61 3i26 n ALA 326 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i26 n ASN 327 N -2.02 2.92 -3.63 0.00 3.02 -1.26 -4.49 115.26 109.81 3i26 n ASN 327 Ca 0.02 -2.52 -0.24 0.00 -0.03 0.00 0.00 54.58 51.81 3i26 n ASN 327 Cb 0.17 -0.32 -0.17 0.00 -0.61 0.00 0.00 39.78 38.85 3i26 n ASN 327 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i26 s HIS 328 N -1.91 0.15 0.00 3.10 3.76 -0.99 -4.92 115.29 114.48 3i26 s HIS 328 Ca 0.26 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 3i26 s HIS 328 Cb 0.19 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.25 3i26 s HIS 328 CO 0.08 -0.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.96 3i26 n GLY 329 N 5.29 0.83 3.72 -2.22 0.00 -1.26 -2.79 105.19 108.76 3i26 n GLY 329 Ca -0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3i26 n GLY 329 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i26 s ASP 330 N -0.32 6.81 0.11 1.61 3.68 -1.26 -4.28 116.67 123.02 3i26 s ASP 330 Ca 0.00 2.38 -0.16 0.00 2.13 0.00 0.00 52.55 56.90 3i26 s ASP 330 Cb 0.00 -2.59 -0.05 0.00 -1.45 0.00 0.00 42.92 38.83 3i26 s ASP 330 CO 0.00 -0.65 1.54 0.44 0.13 0.00 0.00 175.17 176.63 3i26 h ASP 331 N 6.46 0.60 0.14 -0.34 3.32 -1.71 -1.76 116.42 123.12 3i26 h ASP 331 Ca -0.43 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.30 3i26 h ASP 331 Cb 1.21 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3i26 h ASP 331 CO 0.85 0.77 -0.07 -0.08 -1.72 0.00 0.00 179.24 179.00 3i26 h GLU 332 N 0.41 -0.18 -0.58 3.56 4.81 -1.92 -1.81 114.58 118.88 3i26 h GLU 332 Ca 0.09 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3i26 h GLU 332 Cb 0.48 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3i26 h GLU 332 CO 0.02 -0.01 0.23 0.28 -0.73 0.00 0.00 179.01 178.80 3i26 h VAL 333 N -0.31 1.21 -0.82 0.32 2.07 -1.92 -0.86 116.25 115.95 3i26 h VAL 333 Ca -0.02 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3i26 h VAL 333 Cb 0.25 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3i26 h VAL 333 CO 0.03 0.26 0.52 0.03 0.02 0.00 0.00 177.57 178.43 3i26 h ARG 334 N 0.83 0.97 -0.44 1.57 3.08 -1.10 0.10 114.38 119.40 3i26 h ARG 334 Ca 0.20 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3i26 h ARG 334 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3i26 h ARG 334 CO -0.02 0.64 0.10 1.98 -1.07 0.00 0.00 179.97 181.60 3i26 h MET 335 N 1.00 0.72 -0.56 0.04 4.05 -0.57 -2.93 114.93 116.67 3i26 h MET 335 Ca 0.33 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3i26 h MET 335 Cb 0.03 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3i26 h MET 335 CO -0.12 0.72 0.37 0.52 0.23 0.00 0.00 176.91 178.63 3i26 h MET 336 N 0.59 0.73 0.00 0.39 2.86 -0.39 -2.59 114.93 116.52 3i26 h MET 336 Ca 0.14 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3i26 h MET 336 Cb 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3i26 h MET 336 CO 0.00 0.48 0.00 -1.33 1.06 0.00 0.00 176.91 177.13 3i26 n MET 337 N -4.70 0.14 0.28 1.72 2.00 0.28 -1.55 117.12 115.29 3i26 n MET 337 Ca 0.04 0.37 0.13 0.00 0.00 0.00 0.00 57.70 58.23 3i26 n MET 337 Cb 0.03 -1.76 0.81 0.00 0.00 0.00 0.00 33.22 32.30 3i26 n MET 337 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i26 h GLN 338 N 0.00 0.00 -0.65 0.03 1.08 -1.28 -2.68 115.11 111.60 3i26 h GLN 338 Ca 0.00 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 3i26 h GLN 338 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3i26 h GLN 338 CO 0.00 0.04 0.46 0.78 -0.95 0.00 0.00 178.83 179.16 3i26 h GLY 339 N 0.25 0.29 1.91 3.46 0.00 -1.43 -1.32 103.07 106.22 3i26 h GLY 339 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3i26 h GLY 339 CO 0.01 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.61 3i26 n LEU 340 N -4.41 0.00 -0.66 3.11 4.77 -1.01 -1.68 117.00 117.12 3i26 n LEU 340 Ca 0.12 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 3i26 n LEU 340 Cb 0.61 -0.46 0.20 0.00 -2.33 0.00 0.00 43.42 41.44 3i26 n LEU 340 CO 0.35 -0.21 0.60 0.18 -1.33 0.00 0.00 177.39 176.99 3i26 n LEU 341 N -1.46 2.20 -4.85 2.23 4.77 -0.50 -4.80 117.00 114.60 3i26 n LEU 341 Ca 0.05 -0.74 -0.32 0.00 -0.03 0.00 0.00 56.01 54.96 3i26 n LEU 341 Cb 0.17 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3i26 n LEU 341 CO 0.14 0.38 0.41 -0.13 -1.33 0.00 0.00 177.39 176.86 3i26 s ARG 342 N -2.18 3.97 -0.28 3.23 0.52 -0.68 -5.03 118.95 118.50 3i26 s ARG 342 Ca 0.27 0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 55.82 3i26 s ARG 342 Cb 0.20 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 3i26 s ARG 342 CO 0.40 0.15 1.79 1.21 0.02 0.00 0.00 175.30 178.87 3i26 s ASN 343 N -2.37 6.00 -0.01 0.23 3.84 -1.26 -4.77 114.94 116.59 3i26 s ASN 343 Ca 0.53 1.47 0.02 0.00 0.21 0.00 0.00 52.86 55.09 3i26 s ASN 343 Cb -0.10 -2.53 -0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3i26 s ASN 343 CO 0.19 -1.60 -0.06 -0.44 -2.79 0.00 0.00 177.10 172.40 3i26 s SER 344 N 5.74 0.81 0.00 -4.21 0.01 -1.26 -3.35 113.70 111.44 3i26 s SER 344 Ca 0.80 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.93 3i26 s SER 344 Cb -0.24 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.85 3i26 s SER 344 CO 0.33 0.07 0.19 -1.20 0.41 0.00 0.00 173.24 173.04 3i26 n SER 345 N 3.06 0.39 -3.78 2.44 7.64 0.81 -4.26 113.62 119.91 3i26 n SER 345 Ca -0.15 -0.69 -0.14 0.00 1.01 0.00 0.00 58.87 58.91 3i26 n SER 345 Cb 0.57 0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 64.19 3i26 n SER 345 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i26 s ILE 347 N 0.82 1.59 0.31 0.00 -1.09 -0.56 -2.04 121.20 120.22 3i26 s ILE 347 Ca -0.06 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 3i26 s ILE 347 Cb -0.09 -1.41 0.01 0.00 -1.58 0.00 0.00 42.46 39.40 3i26 s ILE 347 CO -0.03 0.46 0.56 -0.94 -1.23 0.00 0.00 174.94 173.75 3i26 s SER 348 N 0.59 0.22 0.40 3.58 1.04 -0.74 -1.73 113.70 117.05 3i26 s SER 348 Ca -0.15 -1.12 0.28 0.00 0.48 0.00 0.00 55.95 55.45 3i26 s SER 348 Cb -0.17 0.67 1.09 0.00 0.10 0.00 0.00 66.02 67.71 3i26 s SER 348 CO 0.05 -1.32 1.83 -0.65 0.98 0.00 0.00 173.24 174.13 3i26 h PRO 349 N 2.14 0.00 0.00 4.02 0.11 -1.77 -1.53 132.00 134.96 3i26 h PRO 349 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3i26 h PRO 349 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i26 h PRO 349 CO 0.36 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.11 3i26 h GLN 350 N 0.00 0.00 0.00 1.05 7.50 -1.91 -3.46 115.11 118.29 3i26 h GLN 350 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i26 h GLN 350 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 3i26 h GLN 350 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 3i26 n GLY 351 N 0.90 0.49 3.66 3.46 0.00 -0.58 -3.67 105.19 109.45 3i26 n GLY 351 Ca 0.04 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 3i26 n GLY 351 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 352 N -4.00 4.84 0.06 1.61 1.04 -0.78 -1.80 113.70 114.67 3i26 s SER 352 Ca 0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3i26 s SER 352 Cb 0.00 -1.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.01 3i26 s SER 352 CO 0.00 0.16 -0.10 0.42 0.98 0.00 0.00 173.24 174.70 3i26 s THR 353 N -1.36 0.75 1.13 2.02 -4.23 -0.87 -0.93 115.64 112.16 3i26 s THR 353 Ca 0.25 -1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 59.33 3i26 s THR 353 Cb -0.11 -0.86 0.27 0.00 1.34 0.00 0.00 72.50 73.14 3i26 s THR 353 CO 0.17 -0.37 1.18 -0.81 -0.54 0.00 0.00 174.62 174.25 3i26 n PRO 354 N 1.26 -2.42 -2.15 3.99 -0.04 -1.21 -0.14 135.00 134.29 3i26 n PRO 354 Ca -0.21 -1.86 -0.42 0.00 -0.04 0.00 0.00 63.50 60.97 3i26 n PRO 354 Cb 0.55 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 3i26 n PRO 354 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i26 s LEU 355 N 0.00 4.34 0.06 1.53 2.96 -1.26 -4.50 118.68 121.81 3i26 s LEU 355 Ca 0.72 2.26 -0.27 0.00 -0.22 0.00 0.00 54.13 56.63 3i26 s LEU 355 Cb -0.05 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.16 3i26 s LEU 355 CO 0.54 -0.73 0.84 0.00 -1.32 0.00 0.00 176.35 175.68 3i26 s ALA 356 N 1.96 -1.73 -0.02 5.97 0.00 -1.26 -5.06 121.76 121.61 3i26 s ALA 356 Ca 0.66 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 3i26 s ALA 356 Cb -0.35 0.56 -0.21 0.00 0.00 0.00 0.00 23.12 23.12 3i26 s ALA 356 CO 0.29 -0.77 1.13 -0.07 0.00 0.00 0.00 175.76 176.34 3i26 h LEU 357 N 2.00 0.27 -8.38 0.00 3.38 -1.93 -3.33 115.31 107.31 3i26 h LEU 357 Ca -0.25 -0.68 -0.57 0.00 0.09 0.00 0.00 57.88 56.48 3i26 h LEU 357 Cb 1.25 -0.08 -0.29 0.00 0.09 0.00 0.00 40.66 41.63 3i26 h LEU 357 CO 0.31 0.90 -0.84 -0.31 0.09 0.00 0.00 178.44 178.59 3i26 s TYR 358 N -3.52 1.67 -0.02 1.13 2.02 -1.26 -1.41 117.35 115.97 3i26 s TYR 358 Ca -0.15 -0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3i26 s TYR 358 Cb 0.02 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3i26 s TYR 358 CO 0.74 -0.01 0.05 0.45 -1.57 0.00 0.00 175.55 175.21 3i26 s SER 359 N -0.54 5.51 0.00 2.29 0.15 0.01 -1.71 113.70 119.41 3i26 s SER 359 Ca 0.07 0.12 0.28 0.00 0.70 0.00 0.00 55.95 57.12 3i26 s SER 359 Cb -0.07 -1.55 1.37 0.00 -1.71 0.00 0.00 66.02 64.05 3i26 s SER 359 CO -0.00 0.30 1.94 0.35 1.20 0.00 0.00 173.24 177.02 3i26 n THR 360 N 1.41 0.10 -3.90 6.45 -2.24 -0.13 -1.76 114.28 114.21 3i26 n THR 360 Ca -0.15 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3i26 n THR 360 Cb 0.53 -0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 68.11 3i26 n THR 360 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i26 s GLU 361 N -2.63 0.73 0.30 -0.78 -1.05 -1.26 -4.92 118.70 109.08 3i26 s GLU 361 Ca 0.24 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 53.88 3i26 s GLU 361 Cb 0.18 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 34.04 3i26 s GLU 361 CO 0.43 -0.21 1.50 -1.33 0.95 0.00 0.00 175.26 176.60 3i26 n MET 362 N 0.28 2.48 -4.14 -4.83 2.81 -1.26 -4.76 117.12 107.70 3i26 n MET 362 Ca -0.16 0.88 -0.34 0.00 -1.81 0.00 0.00 57.70 56.26 3i26 n MET 362 Cb 0.61 -2.60 -0.14 0.00 -0.71 0.00 0.00 33.22 30.38 3i26 n MET 362 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3i26 s ILE 363 N -0.37 3.28 0.23 2.02 1.01 -1.26 -4.92 121.20 121.20 3i26 s ILE 363 Ca 0.62 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3i26 s ILE 363 Cb -0.53 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3i26 s ILE 363 CO 0.53 0.46 0.25 -1.22 0.00 0.00 0.00 174.94 174.96 3i26 n TYR 364 N 4.41 -1.92 -4.04 3.97 4.01 -1.26 -5.08 117.16 117.24 3i26 n TYR 364 Ca -0.18 -0.91 -0.27 0.00 -0.16 0.00 0.00 57.90 56.38 3i26 n TYR 364 Cb 0.51 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 3i26 n TYR 364 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i26 s GLU 365 N -3.00 3.03 0.35 -0.72 0.41 -1.26 -4.09 118.70 113.42 3i26 s GLU 365 Ca 0.19 -0.77 -0.26 0.00 -0.41 0.00 0.00 54.97 53.72 3i26 s GLU 365 Cb -0.01 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.50 3i26 s GLU 365 CO 0.12 0.51 1.01 -2.14 -0.49 0.00 0.00 175.26 174.27 3i26 s PRO 366 N -3.01 4.42 0.05 0.39 0.02 -1.26 -4.83 135.00 130.78 3i26 s PRO 366 Ca 0.32 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3i26 s PRO 366 Cb -0.11 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 3i26 s PRO 366 CO 0.24 0.09 -0.05 0.54 -0.33 0.00 0.00 177.00 177.50 3i26 s ASN 367 N -1.48 0.62 0.20 2.53 2.20 -1.26 -3.97 114.94 113.79 3i26 s ASN 367 Ca 0.52 -0.78 -0.04 0.00 -0.94 0.00 0.00 52.86 51.62 3i26 s ASN 367 Cb -0.22 0.12 -0.03 0.00 -2.00 0.00 0.00 41.25 39.12 3i26 s ASN 367 CO 0.28 -0.42 0.21 -0.72 -2.94 0.00 0.00 177.10 173.51 3i26 s TYR 368 N -2.73 0.93 0.00 1.54 -0.85 -0.71 -5.00 117.35 110.54 3i26 s TYR 368 Ca -0.01 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.34 3i26 s TYR 368 Cb -0.01 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.97 3i26 s TYR 368 CO -0.05 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 3i26 n GLY 369 N -0.28 -1.73 3.31 5.49 0.00 -1.26 -1.50 105.19 109.22 3i26 n GLY 369 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 3i26 n GLY 369 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i26 s SER 370 N -4.00 5.10 -0.05 1.61 0.15 -0.10 -4.95 113.70 111.47 3i26 s SER 370 Ca 0.00 -0.83 -0.02 0.00 0.70 0.00 0.00 55.95 55.80 3i26 s SER 370 Cb 0.00 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 3i26 s SER 370 CO 0.00 -0.22 0.07 0.00 1.20 0.00 0.00 173.24 174.29 3i26 s PRO 372 N -1.37 2.13 0.07 0.00 0.02 -1.25 -5.00 135.00 129.60 3i26 s PRO 372 Ca 0.19 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.84 3i26 s PRO 372 Cb -0.12 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3i26 s PRO 372 CO 0.09 -1.81 0.14 -0.65 -0.33 0.00 0.00 177.00 174.43 3i26 s GLN 373 N -4.12 3.13 -0.01 5.54 -0.21 -0.50 -4.64 119.66 118.86 3i26 s GLN 373 Ca 0.71 -0.57 -0.32 0.00 0.02 0.00 0.00 55.36 55.20 3i26 s GLN 373 Cb -0.26 -2.87 -0.11 0.00 1.00 0.00 0.00 33.01 30.78 3i26 s GLN 373 CO 0.47 0.59 1.91 0.34 -2.12 0.00 0.00 175.29 176.48 3i26 n PHE 374 N 0.41 2.44 -0.15 0.91 -0.00 -1.26 -0.81 117.46 119.00 3i26 n PHE 374 Ca -0.07 -0.18 0.12 0.00 -0.00 0.00 0.00 57.45 57.31 3i26 n PHE 374 Cb 0.51 -2.73 0.45 0.00 -0.00 0.00 0.00 39.48 37.71 3i26 n PHE 374 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.76 176.86 3i26 h TYR 375 N 9.67 0.57 0.00 -5.13 -0.00 -1.69 -2.22 116.97 118.17 3i26 h TYR 375 Ca -0.49 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.21 3i26 h TYR 375 Cb 1.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.79 3i26 h TYR 375 CO 0.90 0.26 -0.21 0.87 -0.00 0.00 0.00 178.16 179.98 3i26 h LYS 376 N 0.53 0.00 -0.01 0.10 1.57 -1.90 -2.17 116.57 114.69 3i26 h LYS 376 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3i26 h LYS 376 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3i26 h LYS 376 CO -0.11 0.21 0.01 -0.07 -0.57 0.00 0.00 179.45 178.92 3i26 h LEU 377 N 0.00 0.00 -2.83 2.94 3.38 -1.78 -2.31 115.31 114.70 3i26 h LEU 377 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i26 h LEU 377 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i26 h LEU 377 CO 0.03 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.05 3i26 n PHE 378 N -3.78 0.85 -2.42 1.13 3.01 -0.82 -4.98 117.46 110.44 3i26 n PHE 378 Ca -0.03 -0.51 -0.42 0.00 1.01 0.00 0.00 57.45 57.50 3i26 n PHE 378 Cb 0.09 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3i26 n PHE 378 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i26 s ASP 379 N -1.01 7.10 -0.09 4.37 2.15 -0.87 -4.93 116.67 123.40 3i26 s ASP 379 Ca 0.41 2.06 0.13 0.00 0.43 0.00 0.00 52.55 55.57 3i26 s ASP 379 Cb 0.22 -2.59 0.35 0.00 -0.30 0.00 0.00 42.92 40.60 3i26 s ASP 379 CO 0.27 -0.43 1.27 0.35 -0.17 0.00 0.00 175.17 176.46 3i26 n THR 380 N 3.53 1.61 0.19 1.71 -2.24 -1.26 -4.68 114.28 113.13 3i26 n THR 380 Ca 0.08 -1.50 0.09 0.00 -2.27 0.00 0.00 64.05 60.44 3i26 n THR 380 Cb 0.46 0.11 0.12 0.00 -2.10 0.00 0.00 70.33 68.92 3i26 n THR 380 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3i26 h SER 381 N 1.39 0.00 0.00 3.42 4.64 -1.96 -3.47 113.55 117.57 3i26 h SER 381 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i26 h SER 381 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3i26 h SER 381 CO 0.08 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3i26 n GLY 382 N 1.14 1.06 0.12 -0.77 0.00 -1.26 -4.94 105.19 100.55 3i26 n GLY 382 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3i26 n GLY 382 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i26 h ASN 383 N 0.00 0.28 -0.03 1.61 2.35 -1.93 -3.55 115.58 114.31 3i26 h ASN 383 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3i26 h ASN 383 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3i26 h ASN 383 CO 0.00 1.08 0.00 -0.62 -1.65 0.00 0.00 177.43 176.24