#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 2.56 0.13 -0.78 0.02 -1.26 -4.57 135.00 131.09 3i26 s PRO 17 Ca 0.00 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.74 3i26 s PRO 17 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3i26 s PRO 17 CO 0.00 -1.50 -0.07 0.14 -0.33 0.00 0.00 177.00 175.24 3i26 s VAL 18 N -1.94 0.88 -0.07 3.83 -7.23 -0.74 -5.00 120.40 110.14 3i26 s VAL 18 Ca 0.74 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3i26 s VAL 18 Cb -0.27 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 34.89 3i26 s VAL 18 CO 0.40 -0.78 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.42 3i26 s THR 19 N -3.51 0.97 0.33 5.32 2.01 -1.26 -1.12 115.64 118.37 3i26 s THR 19 Ca 0.15 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 3i26 s THR 19 Cb 0.04 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.52 3i26 s THR 19 CO -0.02 0.32 1.55 -2.84 -0.69 0.00 0.00 174.62 172.94 3i26 s PRO 20 N 0.84 4.12 -0.28 4.92 0.02 -1.26 -4.81 135.00 138.55 3i26 s PRO 20 Ca -0.12 2.58 -0.17 0.00 0.02 0.00 0.00 61.00 63.31 3i26 s PRO 20 Cb -0.15 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 3i26 s PRO 20 CO 0.02 -0.59 0.46 -0.47 -0.33 0.00 0.00 177.00 176.08 3i26 s TYR 21 N -0.48 3.24 -0.31 6.54 6.14 -0.15 -4.81 117.35 127.52 3i26 s TYR 21 Ca 0.59 0.45 -0.29 0.00 0.64 0.00 0.00 57.07 58.46 3i26 s TYR 21 Cb -0.47 -2.70 -0.01 0.00 0.42 0.00 0.00 41.96 39.20 3i26 s TYR 21 CO 0.54 -0.31 1.48 -0.47 0.64 0.00 0.00 175.55 177.43 3i26 s TYR 22 N 2.23 2.33 0.00 4.97 6.14 -1.24 -1.69 117.35 130.08 3i26 s TYR 22 Ca 0.18 0.69 0.00 0.00 0.64 0.00 0.00 57.07 58.58 3i26 s TYR 22 Cb -0.16 -4.08 0.00 0.00 0.42 0.00 0.00 41.96 38.15 3i26 s TYR 22 CO 0.10 -2.29 0.00 0.41 0.64 0.00 0.00 175.55 174.41 3i26 n GLY 23 N 4.78 2.71 3.72 8.97 0.00 -1.26 -4.35 105.19 119.76 3i26 n GLY 23 Ca 0.17 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.97 0.65 0.35 1.61 0.04 -1.25 -4.17 135.00 130.25 3i26 s PRO 24 Ca 0.00 0.37 -0.17 0.00 0.04 0.00 0.00 61.00 61.24 3i26 s PRO 24 Cb 0.00 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.83 3i26 s PRO 24 CO 0.00 -2.55 0.84 0.20 0.04 0.00 0.00 177.00 175.53 3i26 s GLY 25 N -3.74 0.33 -0.01 0.56 0.00 -1.26 -3.20 107.32 99.99 3i26 s GLY 25 Ca 0.65 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 3i26 s GLY 25 CO 0.56 0.25 0.05 -2.38 0.00 0.00 0.00 173.10 171.58 3i26 s HIS 26 N -2.24 -0.01 -0.10 1.90 -3.43 -1.26 -4.96 115.29 105.19 3i26 s HIS 26 Ca 0.17 0.03 0.07 0.00 -0.80 0.00 0.00 55.06 54.53 3i26 s HIS 26 Cb -0.05 -0.01 -0.24 0.00 -1.43 0.00 0.00 32.58 30.85 3i26 s HIS 26 CO 0.10 -0.08 0.42 -0.89 -2.00 0.00 0.00 174.74 172.30 3i26 n ILE 27 N 2.71 1.62 -4.64 -5.38 5.41 -1.26 -4.28 119.36 113.54 3i26 n ILE 27 Ca -0.15 -0.75 -0.29 0.00 1.00 0.00 0.00 62.75 62.57 3i26 n ILE 27 Cb 0.59 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.57 1.41 0.27 1.39 -4.23 -1.26 -4.86 115.64 105.80 3i26 s THR 28 Ca -0.13 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.75 3i26 s THR 28 Cb 0.07 -2.57 0.40 0.00 1.34 0.00 0.00 72.50 71.74 3i26 s THR 28 CO 0.79 0.00 2.11 2.19 -0.54 0.00 0.00 174.62 179.17 3i26 h PHE 29 N 1.65 0.00 -2.33 3.99 -0.00 -2.02 -3.38 116.94 114.85 3i26 h PHE 29 Ca -0.43 0.00 -0.78 0.00 -0.00 0.00 0.00 57.97 56.76 3i26 h PHE 29 Cb 1.27 0.00 -0.22 0.00 -0.00 0.00 0.00 35.95 37.00 3i26 h PHE 29 CO 1.11 0.00 1.28 -3.47 -0.00 0.00 0.00 178.31 177.23 3i26 n ASP 30 N -3.03 5.72 -4.14 -0.68 -0.08 -1.26 -4.93 116.55 108.16 3i26 n ASP 30 Ca -0.01 -3.22 -0.09 0.00 -1.51 0.00 0.00 54.79 49.96 3i26 n ASP 30 Cb 0.21 -1.39 -0.10 0.00 2.34 0.00 0.00 41.12 42.18 3i26 n ASP 30 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 3i26 s TRP 31 N -1.04 0.75 0.20 -0.67 1.48 -1.26 -1.87 118.94 116.53 3i26 s TRP 31 Ca 0.35 -1.06 -0.16 0.00 -1.06 0.00 0.00 56.10 54.18 3i26 s TRP 31 Cb 0.04 -0.47 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 3i26 s TRP 31 CO 0.04 -0.33 0.48 0.00 -4.06 0.00 0.00 176.95 173.08 3i26 s GLY 33 N -2.91 1.32 -0.06 0.00 0.00 0.32 -1.36 107.32 104.64 3i26 s GLY 33 Ca 0.12 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.40 3i26 s GLY 33 CO -0.01 -1.53 -0.15 -1.36 0.00 0.00 0.00 173.10 170.05 3i26 s PHE 34 N -2.22 1.60 0.00 1.90 0.08 -0.50 -0.86 117.98 117.98 3i26 s PHE 34 Ca 0.15 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3i26 s PHE 34 Cb -0.05 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.29 3i26 s PHE 34 CO 0.06 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 3i26 n GLY 35 N 3.47 3.12 0.00 4.36 0.00 -0.08 -0.82 105.19 115.23 3i26 n GLY 35 Ca -0.20 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.23 0.08 -0.25 1.61 3.85 -1.23 -3.17 116.55 117.21 3i26 n ASP 36 Ca 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 54.79 54.30 3i26 n ASP 36 Cb 0.00 0.00 0.55 0.00 -1.35 0.00 0.00 41.12 40.32 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 0.33 0.24 -1.12 4.64 -1.87 -1.28 113.55 114.50 3i26 h SER 37 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i26 h SER 37 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i26 h SER 37 CO 0.00 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 3i26 n ARG 38 N -4.48 0.57 -1.10 4.77 1.74 -1.26 -2.72 116.66 114.18 3i26 n ARG 38 Ca 0.20 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 3i26 n ARG 38 Cb 0.79 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.78 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 0.98 -4.19 0.55 3.41 -0.50 -0.43 113.62 112.28 3i26 n SER 39 Ca 0.15 -2.34 -0.38 0.00 -0.26 0.00 0.00 58.87 56.04 3i26 n SER 39 Cb 0.15 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.04 5.43 0.00 4.04 -1.08 -1.10 -4.74 116.67 117.18 3i26 s ASP 40 Ca 0.28 -1.74 0.17 0.00 -0.52 0.00 0.00 52.55 50.74 3i26 s ASP 40 Cb 0.31 -1.90 0.80 0.00 -1.46 0.00 0.00 42.92 40.66 3i26 s ASP 40 CO -0.11 -0.54 1.54 0.00 0.52 0.00 0.00 175.17 176.58 3i26 h THR 42 N 0.00 0.00 -2.07 0.00 1.35 -1.96 -3.45 112.91 106.79 3i26 h THR 42 Ca 0.00 -0.66 -0.62 0.00 -0.55 0.00 0.00 66.41 64.59 3i26 h THR 42 Cb 0.24 1.61 0.04 0.00 -1.73 0.00 0.00 68.15 68.31 3i26 h THR 42 CO 0.00 0.00 0.83 -3.20 -0.25 0.00 0.00 175.52 172.90 3i26 n ASN 43 N -2.53 2.91 -0.34 5.36 2.85 -1.02 -4.86 115.26 117.63 3i26 n ASN 43 Ca 0.05 1.06 0.33 0.00 -0.11 0.00 0.00 54.58 55.91 3i26 n ASN 43 Cb 0.47 -1.36 0.70 0.00 1.24 0.00 0.00 39.78 40.83 3i26 n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i26 h PRO 44 N 6.63 0.08 -0.21 1.20 0.11 -1.91 0.45 132.00 138.35 3i26 h PRO 44 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i26 h PRO 44 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i26 h PRO 44 CO 0.89 0.05 0.00 1.04 -0.21 0.00 0.00 178.00 179.78 3i26 n GLN 45 N -4.29 1.73 -2.16 1.05 1.13 -1.26 -4.94 117.38 108.64 3i26 n GLN 45 Ca 0.27 -1.11 -0.40 0.00 -1.94 0.00 0.00 57.00 53.82 3i26 n GLN 45 Cb 1.21 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 30.18 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 -1.41 6.63 0.00 1.08 0.15 0.15 -1.47 113.70 118.83 3i26 s SER 46 Ca 0.30 2.57 0.22 0.00 0.70 0.00 0.00 55.95 59.74 3i26 s SER 46 Cb 0.16 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 62.54 3i26 s SER 46 CO 0.23 -0.62 1.53 -0.81 1.20 0.00 0.00 173.24 174.77 3i26 n PRO 47 N 0.49 1.86 0.26 5.44 -0.04 -1.26 -4.88 135.00 136.87 3i26 n PRO 47 Ca 0.02 -1.29 0.13 0.00 -0.04 0.00 0.00 63.50 62.33 3i26 n PRO 47 Cb 0.43 -1.42 0.71 0.00 -0.04 0.00 0.00 33.50 33.19 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 2.64 0.00 -0.01 0.54 2.86 -1.62 -2.46 114.93 116.88 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 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3i26 h MET 48 CO 0.00 0.12 -0.11 -1.13 1.06 0.00 0.00 176.91 176.85 3i26 n SER 49 N -3.49 1.09 -4.84 1.22 3.41 -1.06 -1.65 113.62 108.29 3i26 n SER 49 Ca -0.01 -1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 57.14 3i26 n SER 49 Cb 0.27 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.24 4.20 0.00 1.04 1.43 -0.93 -4.27 118.68 117.91 3i26 s LEU 50 Ca 0.33 1.25 0.15 0.00 -1.03 0.00 0.00 54.13 54.82 3i26 s LEU 50 Cb 0.20 -3.77 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 3i26 s LEU 50 CO 0.42 -0.07 0.69 0.47 0.23 0.00 0.00 176.35 178.08 3i26 n ASP 51 N 0.16 0.94 -4.81 2.29 8.00 0.42 -4.09 116.55 119.46 3i26 n ASP 51 Ca 0.00 -0.97 -0.22 0.00 0.71 0.00 0.00 54.79 54.31 3i26 n ASP 51 Cb 0.52 0.86 -0.05 0.00 -0.02 0.00 0.00 41.12 42.44 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 -2.26 4.02 0.21 0.53 -4.36 -1.23 -3.67 121.20 114.44 3i26 s ILE 52 Ca 0.08 -1.47 -0.32 0.00 -0.26 0.00 0.00 60.65 58.67 3i26 s ILE 52 Cb 0.12 -3.26 -0.12 0.00 1.25 0.00 0.00 42.46 40.44 3i26 s ILE 52 CO 0.55 -0.30 1.68 -2.65 0.24 0.00 0.00 174.94 174.46 3i26 n PRO 53 N -1.19 2.65 -0.24 0.37 -0.02 -1.26 -4.86 135.00 130.44 3i26 n PRO 53 Ca -0.06 0.95 0.18 0.00 -2.02 0.00 0.00 63.50 62.55 3i26 n PRO 53 Cb 0.59 -2.78 0.49 0.00 -0.02 0.00 0.00 33.50 31.78 3i26 n PRO 53 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3i26 h GLN 54 N 6.40 0.44 0.00 -0.52 4.15 -1.98 0.12 115.11 123.72 3i26 h GLN 54 Ca -0.44 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.96 3i26 h GLN 54 Cb 1.21 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3i26 h GLN 54 CO 0.93 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 178.12 3i26 n GLN 55 N -4.52 0.01 0.00 1.69 0.00 -1.26 -2.04 117.38 111.26 3i26 n GLN 55 Ca 0.18 0.23 0.12 0.00 0.00 0.00 0.00 57.00 57.53 3i26 n GLN 55 Cb 0.64 -1.50 0.22 0.00 0.00 0.00 0.00 30.24 29.60 3i26 n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i26 n LEU 56 N -1.49 1.84 -0.29 2.61 4.77 0.42 -4.45 117.00 120.40 3i26 n LEU 56 Ca 0.04 -0.62 0.11 0.00 -0.03 0.00 0.00 56.01 55.51 3i26 n LEU 56 Cb 0.18 -0.04 0.27 0.00 -2.33 0.00 0.00 43.42 41.50 3i26 n LEU 56 CO 0.15 0.33 0.99 0.00 -1.33 0.00 0.00 177.39 177.53 3i26 n PRO 58 N -5.11 0.06 0.00 0.00 -0.02 -1.26 -1.62 135.00 127.05 3i26 n PRO 58 Ca 0.20 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3i26 n PRO 58 Cb 0.60 -1.63 0.40 0.00 -0.02 0.00 0.00 33.50 32.85 3i26 n PRO 58 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i26 n LYS 59 N -1.74 0.02 -4.25 -0.52 4.76 0.14 -4.91 118.16 111.65 3i26 n LYS 59 Ca 0.02 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.15 3i26 n LYS 59 Cb 0.13 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 31.72 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 -3.01 3.07 -0.38 2.13 0.40 -0.64 -0.52 117.98 119.03 3i26 s PHE 60 Ca 0.12 0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 3i26 s PHE 60 Cb 0.18 -1.65 0.08 0.00 0.51 0.00 0.00 43.02 42.14 3i26 s PHE 60 CO 0.63 0.47 0.16 0.45 0.70 0.00 0.00 175.22 177.63 3i26 s SER 61 N -1.71 5.29 -0.07 1.36 0.15 -0.04 -4.93 113.70 113.76 3i26 s SER 61 Ca 0.21 -1.58 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 3i26 s SER 61 Cb -0.12 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 3i26 s SER 61 CO 0.12 -0.45 0.24 -0.44 1.20 0.00 0.00 173.24 173.91 3i26 s SER 62 N 1.72 -0.20 -0.03 5.45 0.01 -1.26 -0.90 113.70 118.49 3i26 s SER 62 Ca 0.02 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.59 3i26 s SER 62 Cb -0.22 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.47 3i26 s SER 62 CO -0.01 -0.19 0.05 -0.75 0.41 0.00 0.00 173.24 172.76 3i26 s LYS 63 N -0.34 -0.01 0.15 12.44 2.47 -1.19 -4.82 119.74 128.44 3i26 s LYS 63 Ca -0.04 0.20 -0.34 0.00 -1.56 0.00 0.00 55.97 54.23 3i26 s LYS 63 Cb -0.03 -0.21 -0.15 0.00 -1.46 0.00 0.00 37.83 35.98 3i26 s LYS 63 CO 0.01 -0.15 1.35 0.43 0.16 0.00 0.00 175.35 177.15 3i26 n SER 64 N 4.07 2.06 0.00 1.43 7.64 -1.26 -1.95 113.62 125.60 3i26 n SER 64 Ca -0.26 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.74 3i26 n SER 64 Cb 0.51 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 2.49 0.00 -5.00 6.43 7.64 -1.26 -4.79 113.62 119.13 3i26 n SER 65 Ca 0.16 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.86 3i26 n SER 65 Cb 0.25 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.24 5.51 0.18 6.43 0.15 -0.82 -4.49 113.70 117.41 3i26 s SER 66 Ca 0.00 -0.44 -0.10 0.00 0.70 0.00 0.00 55.95 56.11 3i26 s SER 66 Cb 0.00 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 3i26 s SER 66 CO 0.00 -0.91 0.32 -0.94 1.20 0.00 0.00 173.24 172.90 3i26 s SER 67 N -4.41 0.01 0.23 5.45 1.04 -1.26 -4.55 113.70 110.21 3i26 s SER 67 Ca 0.57 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 3i26 s SER 67 Cb -0.09 0.46 0.24 0.00 0.10 0.00 0.00 66.02 66.73 3i26 s SER 67 CO 0.35 -0.93 1.60 0.24 0.98 0.00 0.00 173.24 175.48 3i26 h MET 68 N 2.49 0.50 0.37 4.02 0.00 -1.94 -1.17 114.93 119.20 3i26 h MET 68 Ca -0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 59.70 59.11 3i26 h MET 68 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 31.60 32.85 3i26 h MET 68 CO 0.46 0.84 -0.18 0.35 0.00 0.00 0.00 176.91 178.38 3i26 h PHE 69 N 0.41 -0.46 -0.63 -0.22 3.57 -1.97 -2.43 116.94 115.20 3i26 h PHE 69 Ca 0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3i26 h PHE 69 Cb 0.92 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 3i26 h PHE 69 CO 0.03 -0.18 0.32 1.25 -2.23 0.00 0.00 178.31 177.50 3i26 h LEU 70 N -0.70 0.43 -1.42 0.59 6.46 -1.94 -2.41 115.31 116.33 3i26 h LEU 70 Ca -0.05 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3i26 h LEU 70 Cb 0.49 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3i26 h LEU 70 CO 0.08 0.27 -0.23 0.28 -0.62 0.00 0.00 178.44 178.23 3i26 h SER 71 N 0.57 0.00 -0.38 1.25 0.02 -1.25 0.63 113.55 114.40 3i26 h SER 71 Ca 0.29 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3i26 h SER 71 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3i26 h SER 71 CO -0.22 0.23 -0.23 0.25 -1.14 0.00 0.00 176.83 175.72 3i26 h LEU 72 N 0.00 0.87 0.00 5.07 5.85 -0.91 -3.34 115.31 122.84 3i26 h LEU 72 Ca -0.00 -0.42 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 3i26 h LEU 72 Cb 0.60 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3i26 h LEU 72 CO 0.03 1.10 -1.40 1.41 -0.34 0.00 0.00 178.44 179.24 3i26 n HIS 73 N -4.22 0.97 -4.49 1.25 8.25 -0.99 -4.55 115.22 111.44 3i26 n HIS 73 Ca -0.02 0.32 -0.21 0.00 -0.26 0.00 0.00 57.72 57.55 3i26 n HIS 73 Cb 0.45 -1.07 -0.14 0.00 1.12 0.00 0.00 29.99 30.34 3i26 n HIS 73 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3i26 s TRP 74 N -2.96 1.24 0.00 4.41 0.51 0.18 -0.46 118.94 121.86 3i26 s TRP 74 Ca -0.03 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 3i26 s TRP 74 Cb 0.09 -0.76 0.00 0.00 -0.81 0.00 0.00 33.47 31.98 3i26 s TRP 74 CO 0.81 0.01 0.00 0.09 -0.51 0.00 0.00 176.95 177.35 3i26 n ASN 75 N 2.30 0.00 -4.72 2.95 3.02 -1.26 -4.39 115.26 113.16 3i26 n ASN 75 Ca -0.16 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 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 6.91 0.30 6.41 0.01 -1.26 -4.49 114.94 121.81 3i26 s ASN 76 Ca 0.00 2.27 -0.03 0.00 -0.71 0.00 0.00 52.86 54.39 3i26 s ASN 76 Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3i26 s ASN 76 CO 0.00 -0.57 0.40 -1.00 -1.51 0.00 0.00 177.10 174.41 3i26 s HIS 77 N 0.82 1.01 0.28 2.20 3.76 -0.67 -4.98 115.29 117.72 3i26 s HIS 77 Ca 0.61 -1.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.31 3i26 s HIS 77 Cb -0.35 -0.18 0.59 0.00 1.11 0.00 0.00 32.58 33.75 3i26 s HIS 77 CO 0.32 -1.00 1.82 0.66 -0.85 0.00 0.00 174.74 175.69 3i26 h SER 78 N 2.23 0.87 -0.47 1.40 4.64 -2.06 -1.61 113.55 118.55 3i26 h SER 78 Ca -0.29 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3i26 h SER 78 Cb 1.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3i26 h SER 78 CO 0.40 0.43 0.00 -1.20 -0.87 0.00 0.00 176.83 175.59 3i26 n SER 79 N -4.67 3.53 -3.85 4.97 7.64 -1.26 -4.90 113.62 115.08 3i26 n SER 79 Ca 0.20 -1.99 -0.28 0.00 1.01 0.00 0.00 58.87 57.81 3i26 n SER 79 Cb 0.40 -0.31 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 3i26 n SER 79 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i26 s PHE 80 N -1.39 1.52 -0.50 1.43 0.40 -0.61 -5.08 117.98 113.75 3i26 s PHE 80 Ca 0.41 -1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 55.55 3i26 s PHE 80 Cb 0.23 -1.23 0.08 0.00 0.51 0.00 0.00 43.02 42.62 3i26 s PHE 80 CO 0.32 -0.61 0.50 0.08 0.70 0.00 0.00 175.22 176.21 3i26 s VAL 81 N 1.69 5.11 -0.09 -0.44 1.01 -1.26 -1.67 120.40 124.75 3i26 s VAL 81 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 3i26 s VAL 81 Cb -0.16 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3i26 s VAL 81 CO -0.07 -0.74 0.33 -0.55 0.00 0.00 0.00 175.10 174.07 3i26 s SER 82 N 2.90 6.60 -0.01 3.32 0.15 -1.26 -4.17 113.70 121.23 3i26 s SER 82 Ca 0.07 0.71 0.06 0.00 0.70 0.00 0.00 55.95 57.49 3i26 s SER 82 Cb -0.24 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3i26 s SER 82 CO 0.07 0.22 -0.18 -0.47 1.20 0.00 0.00 173.24 174.08 3i26 s TYR 83 N -0.33 1.65 -1.40 3.44 6.04 -1.26 -4.83 117.35 120.65 3i26 s TYR 83 Ca 0.20 -0.32 -0.15 0.00 0.04 0.00 0.00 57.07 56.85 3i26 s TYR 83 Cb -0.14 -1.05 0.02 0.00 -1.04 0.00 0.00 41.96 39.74 3i26 s TYR 83 CO 0.08 -0.02 2.22 -0.40 -1.54 0.00 0.00 175.55 175.90 3i26 n ASP 84 N 2.55 3.89 -4.68 4.32 3.85 -1.26 -4.89 116.55 120.33 3i26 n ASP 84 Ca -0.15 -2.82 -0.44 0.00 -0.71 0.00 0.00 54.79 50.67 3i26 n ASP 84 Cb 0.54 -1.61 -0.02 0.00 -1.35 0.00 0.00 41.12 38.68 3i26 n ASP 84 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3i26 n TYR 85 N 6.15 2.17 -3.61 2.11 4.01 -1.26 -4.76 117.16 121.96 3i26 n TYR 85 Ca 0.52 0.46 -0.03 0.00 -0.16 0.00 0.00 57.90 58.70 3i26 n TYR 85 Cb 0.39 -2.45 -0.05 0.00 -0.31 0.00 0.00 39.34 36.91 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 -0.30 -1.03 0.01 -0.72 5.36 -1.26 -0.78 117.98 119.27 3i26 s PHE 86 Ca 0.65 1.91 -0.28 0.00 -0.96 0.00 0.00 56.93 58.25 3i26 s PHE 86 Cb -0.63 0.62 0.09 0.00 -0.34 0.00 0.00 43.02 42.76 3i26 s PHE 86 CO 0.52 -0.51 0.81 1.21 -1.46 0.00 0.00 175.22 175.79 3i26 s ASN 87 N 2.15 -0.45 -0.03 6.13 3.84 -0.69 -4.69 114.94 121.20 3i26 s ASN 87 Ca -0.07 0.12 0.05 0.00 0.21 0.00 0.00 52.86 53.17 3i26 s ASN 87 Cb -0.07 0.45 -0.01 0.00 -0.55 0.00 0.00 41.25 41.06 3i26 s ASN 87 CO -0.18 -0.68 -0.18 0.00 -2.79 0.00 0.00 177.10 173.27 3i26 s GLY 89 N -0.20 0.41 0.17 0.00 0.00 0.50 -4.34 107.32 103.86 3i26 s GLY 89 Ca 0.02 3.60 -0.15 0.00 0.00 0.00 0.00 44.72 48.19 3i26 s GLY 89 CO 0.01 2.02 1.83 -2.08 0.00 0.00 0.00 173.10 174.88 3i26 h VAL 90 N 3.22 1.12 -2.75 1.40 2.07 -1.62 -3.42 116.25 116.27 3i26 h VAL 90 Ca -0.27 -0.23 -0.66 0.00 0.82 0.00 0.00 66.70 66.35 3i26 h VAL 90 Cb 1.19 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3i26 h VAL 90 CO 0.19 0.12 -0.50 -1.61 0.02 0.00 0.00 177.57 175.79 3i26 s GLU 91 N -6.15 3.39 -0.02 1.57 2.02 -1.03 -4.82 118.70 113.65 3i26 s GLU 91 Ca -0.13 -0.21 -0.00 0.00 0.02 0.00 0.00 54.97 54.65 3i26 s GLU 91 Cb 0.12 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3i26 s GLU 91 CO 0.74 0.75 0.03 0.15 0.02 0.00 0.00 175.26 176.95 3i26 s LYS 92 N -1.24 -0.03 -0.20 1.61 1.02 -1.26 -1.69 119.74 117.94 3i26 s LYS 92 Ca 0.18 0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.35 3i26 s LYS 92 Cb -0.12 -0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 3i26 s LYS 92 CO 0.07 -0.14 -0.16 0.08 -0.92 0.00 0.00 175.35 174.29 3i26 s VAL 93 N 0.92 2.28 -0.18 3.17 1.01 -0.47 -0.83 120.40 126.31 3i26 s VAL 93 Ca -0.08 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3i26 s VAL 93 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3i26 s VAL 93 CO -0.03 0.39 0.11 -0.36 0.00 0.00 0.00 175.10 175.22 3i26 s PHE 94 N 1.28 3.40 -0.42 5.22 0.08 0.12 -1.40 117.98 126.24 3i26 s PHE 94 Ca 0.02 0.30 0.07 0.00 0.12 0.00 0.00 56.93 57.44 3i26 s PHE 94 Cb -0.15 -2.09 0.22 0.00 -0.57 0.00 0.00 43.02 40.43 3i26 s PHE 94 CO -0.10 0.34 0.56 0.98 -0.10 0.00 0.00 175.22 176.90 3i26 n TYR 95 N 3.23 -1.35 -3.81 0.36 9.36 -0.00 -1.21 117.16 123.74 3i26 n TYR 95 Ca -0.17 -2.98 -0.09 0.00 3.32 0.00 0.00 57.90 57.98 3i26 n TYR 95 Cb 0.53 0.31 0.03 0.00 -0.63 0.00 0.00 39.34 39.57 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 -0.36 2.24 0.00 2.98 4.04 -1.26 -3.57 118.70 122.77 3i26 s GLU 96 Ca 0.34 -1.45 0.00 0.00 0.04 0.00 0.00 54.97 53.90 3i26 s GLU 96 Cb 0.13 0.62 0.00 0.00 0.02 0.00 0.00 34.13 34.90 3i26 s GLU 96 CO -0.15 -1.05 0.00 0.41 -1.84 0.00 0.00 175.26 172.63 3i26 n GLY 97 N -0.54 2.84 0.35 -3.83 0.00 -1.26 -4.69 105.19 98.07 3i26 n GLY 97 Ca -0.08 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.90 -1.80 116.25 118.13 3i26 h VAL 98 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3i26 h VAL 98 Cb 0.00 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 3i26 h VAL 98 CO 0.00 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.24 3i26 n ASN 99 N -4.48 0.00 -3.82 3.17 3.02 -1.26 -3.23 115.26 108.66 3i26 n ASN 99 Ca 0.10 -0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 53.98 3i26 n ASN 99 Cb 0.32 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.17 2.50 0.25 3.10 5.36 -0.68 -4.88 117.98 121.46 3i26 s PHE 100 Ca 0.23 -2.54 0.02 0.00 -0.96 0.00 0.00 56.93 53.68 3i26 s PHE 100 Cb 0.12 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3i26 s PHE 100 CO 0.21 -0.83 0.18 -1.12 -1.46 0.00 0.00 175.22 172.21 3i26 s SER 101 N 0.60 0.75 0.60 6.13 0.01 -1.20 -4.99 113.70 115.60 3i26 s SER 101 Ca 0.15 -1.53 0.35 0.00 1.31 0.00 0.00 55.95 56.22 3i26 s SER 101 Cb -0.22 0.44 1.94 0.00 0.21 0.00 0.00 66.02 68.39 3i26 s SER 101 CO -0.07 -0.92 2.25 -0.65 0.41 0.00 0.00 173.24 174.26 3i26 h PRO 102 N 2.43 0.00 -0.95 12.44 0.11 -1.81 -1.14 132.00 143.08 3i26 h PRO 102 Ca -0.32 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.02 3i26 h PRO 102 Cb 1.24 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 3i26 h PRO 102 CO 0.47 0.02 0.50 -0.09 -0.21 0.00 0.00 178.00 178.70 3i26 h ARG 103 N 0.00 0.49 0.00 1.05 2.43 -1.63 -0.08 114.38 116.64 3i26 h ARG 103 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3i26 h ARG 103 Cb 0.09 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3i26 h ARG 103 CO 0.00 0.32 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.48 3i26 h LYS 104 N 0.50 0.00 -6.18 0.20 3.64 -1.51 -3.47 116.57 109.75 3i26 h LYS 104 Ca 0.60 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 59.51 3i26 h LYS 104 Cb 1.14 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 3i26 h LYS 104 CO -0.49 0.09 -0.74 1.04 -2.27 0.00 0.00 179.45 177.08 3i26 n GLN 105 N -3.48 -4.89 -2.81 1.90 1.13 -0.04 -4.94 117.38 104.25 3i26 n GLN 105 Ca -0.02 0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 3i26 n GLN 105 Cb 0.23 -5.41 -0.04 0.00 0.11 0.00 0.00 30.24 25.13 3i26 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3i26 s TYR 106 N -3.24 3.76 0.19 1.08 5.04 -1.26 -4.94 117.35 117.97 3i26 s TYR 106 Ca 0.63 1.67 -0.19 0.00 -2.44 0.00 0.00 57.07 56.75 3i26 s TYR 106 Cb -0.32 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.03 3i26 s TYR 106 CO 0.78 0.18 0.54 -1.54 -1.34 0.00 0.00 175.55 174.17 3i26 s SER 107 N 0.19 -0.31 0.12 4.32 1.04 -1.26 -4.12 113.70 113.68 3i26 s SER 107 Ca 0.45 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3i26 s SER 107 Cb -0.22 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3i26 s SER 107 CO 0.27 -1.04 0.00 0.00 0.98 0.00 0.00 173.24 173.45 3i26 n TRP 109 N -3.48 0.00 0.73 0.00 7.02 -1.26 -0.94 117.44 119.51 3i26 n TRP 109 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 3i26 n TRP 109 Cb 0.00 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.17 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 2.67 0.28 -0.99 8.00 0.38 -4.41 116.55 122.48 3i26 n ASP 110 Ca 0.00 -1.88 0.17 0.00 0.71 0.00 0.00 54.79 53.79 3i26 n ASP 110 Cb 0.00 -0.18 0.67 0.00 -0.02 0.00 0.00 41.12 41.59 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 3.51 0.00 -1.00 -1.24 9.09 -1.91 -3.47 114.58 119.56 3i26 h GLU 111 Ca 0.00 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.53 3i26 h GLU 111 Cb 0.77 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.83 3i26 h GLU 111 CO 0.00 0.01 -0.22 0.41 0.05 0.00 0.00 179.01 179.26 3i26 n GLY 112 N 0.05 -1.82 0.32 1.06 0.00 -1.26 -2.43 105.19 101.10 3i26 n GLY 112 Ca 0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.41 1.22 -0.60 1.61 2.07 -1.93 -1.80 116.25 116.42 3i26 h VAL 113 Ca -0.01 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3i26 h VAL 113 Cb 0.41 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3i26 h VAL 113 CO 0.01 0.29 0.33 0.44 0.02 0.00 0.00 177.57 178.65 3i26 h ASP 114 N 0.88 0.73 -0.69 0.57 3.32 -1.90 -1.15 116.42 118.18 3i26 h ASP 114 Ca 0.20 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.29 3i26 h ASP 114 Cb 0.22 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 3i26 h ASP 114 CO -0.01 0.59 0.35 1.23 -1.72 0.00 0.00 179.24 179.67 3i26 h GLY 115 N 0.89 1.03 2.00 2.75 0.00 -0.98 -1.08 103.07 107.68 3i26 h GLY 115 Ca 0.21 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3i26 h GLY 115 CO -0.03 0.08 -0.60 1.49 0.00 0.00 0.00 176.54 177.47 3i26 h TRP 116 N 0.60 0.00 -0.56 5.60 4.06 -1.12 -2.06 115.95 122.48 3i26 h TRP 116 Ca 0.33 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.21 3i26 h TRP 116 Cb 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3i26 h TRP 116 CO -0.10 0.60 0.05 0.82 -3.56 0.00 0.00 178.44 176.25 3i26 h ILE 117 N 0.00 1.26 -0.62 1.49 1.08 -0.87 -0.55 117.51 119.30 3i26 h ILE 117 Ca -0.01 -1.04 0.04 0.00 -0.39 0.00 0.00 64.86 63.47 3i26 h ILE 117 Cb 1.27 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 3i26 h ILE 117 CO 0.08 0.38 0.36 -0.08 -0.69 0.00 0.00 178.15 178.19 3i26 h GLU 118 N 0.85 0.66 -0.55 2.37 4.57 -0.99 -0.97 114.58 120.52 3i26 h GLU 118 Ca 0.17 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3i26 h GLU 118 Cb 0.47 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3i26 h GLU 118 CO 0.02 0.44 0.08 -0.07 -1.18 0.00 0.00 179.01 178.29 3i26 h LEU 119 N 0.68 0.89 -0.57 1.64 3.38 -1.24 0.04 115.31 120.13 3i26 h LEU 119 Ca 0.27 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3i26 h LEU 119 Cb 0.11 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 3i26 h LEU 119 CO -0.15 0.93 0.15 0.50 0.09 0.00 0.00 178.44 179.96 3i26 h LYS 120 N 0.81 0.29 -0.37 1.13 3.64 -0.94 -0.31 116.57 120.81 3i26 h LYS 120 Ca 0.17 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3i26 h LYS 120 Cb 0.43 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3i26 h LYS 120 CO 0.01 0.19 0.08 1.15 -2.27 0.00 0.00 179.45 178.61 3i26 h THR 121 N 0.30 1.23 -0.57 1.00 2.02 -0.63 -1.87 112.91 114.39 3i26 h THR 121 Ca 0.29 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.73 3i26 h THR 121 Cb 0.40 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3i26 h THR 121 CO -0.35 0.27 0.28 0.03 0.37 0.00 0.00 175.52 176.13 3i26 h ARG 122 N 0.46 0.52 0.19 6.66 3.08 -0.62 -1.41 114.38 123.26 3i26 h ARG 122 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3i26 h ARG 122 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3i26 h ARG 122 CO 0.00 0.34 -0.09 0.35 -1.07 0.00 0.00 179.97 179.50 3i26 h PHE 123 N 0.53 -0.24 -0.24 3.04 3.57 -0.72 -2.43 116.94 120.45 3i26 h PHE 123 Ca 0.26 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3i26 h PHE 123 Cb 0.19 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3i26 h PHE 123 CO -0.11 -0.03 -0.11 1.88 -2.23 0.00 0.00 178.31 177.71 3i26 h TYR 124 N -0.41 0.42 -0.17 0.41 0.05 -1.25 0.96 116.97 116.97 3i26 h TYR 124 Ca -0.03 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.72 3i26 h TYR 124 Cb 0.32 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3i26 h TYR 124 CO -0.02 0.50 0.04 1.15 -1.05 0.00 0.00 178.16 178.78 3i26 h THR 125 N 0.37 0.93 -0.29 -2.88 2.02 -1.09 -1.05 112.91 110.92 3i26 h THR 125 Ca 0.07 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 3i26 h THR 125 Cb 0.43 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3i26 h THR 125 CO 0.02 0.02 -0.27 0.50 0.37 0.00 0.00 175.52 176.16 3i26 h LYS 126 N 0.11 0.70 -0.07 6.66 1.63 -0.93 -1.96 116.57 122.72 3i26 h LYS 126 Ca 0.08 -0.36 0.04 0.00 -0.85 0.00 0.00 60.65 59.55 3i26 h LYS 126 Cb 0.07 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 3i26 h LYS 126 CO -0.10 0.98 -0.18 1.25 -3.45 0.00 0.00 179.45 177.95 3i26 h LEU 127 N 0.44 -0.54 -0.64 5.20 5.85 -0.59 -0.86 115.31 124.18 3i26 h LEU 127 Ca 0.05 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3i26 h LEU 127 Cb 0.84 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3i26 h LEU 127 CO 0.07 -0.23 0.27 1.88 -0.34 0.00 0.00 178.44 180.09 3i26 h TYR 128 N -0.26 0.95 -0.02 1.25 0.05 -1.15 -0.02 116.97 117.77 3i26 h TYR 128 Ca 0.08 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3i26 h TYR 128 Cb 0.36 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3i26 h TYR 128 CO -0.26 0.74 0.01 1.96 -1.05 0.00 0.00 178.16 179.56 3i26 h GLN 129 N 0.89 0.03 -0.18 4.88 4.20 -1.14 -2.85 115.11 120.93 3i26 h GLN 129 Ca 0.21 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 3i26 h GLN 129 Cb 0.18 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3i26 h GLN 129 CO -0.02 0.05 -0.43 0.52 -0.67 0.00 0.00 178.83 178.29 3i26 h MET 130 N -0.01 0.44 -0.06 1.46 2.86 -1.00 -2.87 114.93 115.75 3i26 h MET 130 Ca 0.01 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3i26 h MET 130 Cb 0.03 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 3i26 h MET 130 CO -0.00 0.79 0.05 0.00 1.06 0.00 0.00 176.91 178.81 3i26 h ALA 131 N 1.19 1.80 0.00 6.32 0.00 -0.82 -3.00 119.26 124.74 3i26 h ALA 131 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i26 h ALA 131 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i26 h ALA 131 CO 0.08 -0.08 0.00 1.79 0.00 0.00 0.00 179.25 181.04 3i26 h THR 132 N 0.00 0.00 -0.00 0.00 1.35 -1.28 -2.74 112.91 110.25 3i26 h THR 132 Ca 0.03 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3i26 h THR 132 Cb 0.13 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3i26 h THR 132 CO -0.00 0.00 -0.08 0.35 -0.25 0.00 0.00 175.52 175.54 3i26 n THR 133 N -2.56 1.94 -4.31 6.82 -2.24 -1.13 -1.22 114.28 111.58 3i26 n THR 133 Ca 0.01 -2.42 -0.20 0.00 -2.27 0.00 0.00 64.05 59.17 3i26 n THR 133 Cb 0.26 -0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.93 2.46 -0.23 3.42 0.01 -1.03 -1.75 113.70 113.64 3i26 s SER 134 Ca 0.33 -0.88 -0.10 0.00 1.31 0.00 0.00 55.95 56.61 3i26 s SER 134 Cb 0.29 -0.13 -0.11 0.00 0.21 0.00 0.00 66.02 66.29 3i26 s SER 134 CO 0.01 -0.10 -0.28 -1.14 0.41 0.00 0.00 173.24 172.14 3i26 n ARG 135 N 0.21 0.50 -3.83 12.44 0.63 -1.26 -4.74 116.66 120.61 3i26 n ARG 135 Ca -0.13 0.20 -0.33 0.00 -0.92 0.00 0.00 57.85 56.68 3i26 n ARG 135 Cb 0.58 -1.34 -0.05 0.00 0.45 0.00 0.00 32.46 32.10 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 -1.40 0.15 -0.06 0.00 1.01 -0.36 -2.98 121.20 117.56 3i26 s ILE 137 Ca 0.31 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 3i26 s ILE 137 Cb -0.13 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.04 3i26 s ILE 137 CO 0.21 0.21 0.07 -0.75 0.00 0.00 0.00 174.94 174.68 3i26 s LYS 138 N 1.94 -0.05 -0.24 2.79 2.20 0.14 -1.70 119.74 124.81 3i26 s LYS 138 Ca 0.03 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.70 3i26 s LYS 138 Cb -0.12 -0.62 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 3i26 s LYS 138 CO -0.04 -0.36 1.16 -1.17 -0.36 0.00 0.00 175.35 174.57 3i26 s LEU 139 N 2.18 4.05 0.07 5.43 2.96 0.04 -0.07 118.68 133.33 3i26 s LEU 139 Ca 0.05 1.36 0.09 0.00 -0.22 0.00 0.00 54.13 55.41 3i26 s LEU 139 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3i26 s LEU 139 CO -0.04 -0.81 -0.23 0.27 -1.32 0.00 0.00 176.35 174.22 3i26 s ILE 140 N 3.59 2.48 -0.30 6.68 -4.36 -0.26 -4.66 121.20 124.37 3i26 s ILE 140 Ca 0.49 -1.43 -0.26 0.00 -0.26 0.00 0.00 60.65 59.20 3i26 s ILE 140 Cb -0.17 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.50 3i26 s ILE 140 CO 0.13 0.25 0.90 -1.10 0.24 0.00 0.00 174.94 175.36 3i26 s GLN 141 N -1.63 4.02 0.62 0.37 -1.52 -1.26 -1.90 119.66 118.35 3i26 s GLN 141 Ca 0.14 0.80 -0.15 0.00 -1.95 0.00 0.00 55.36 54.20 3i26 s GLN 141 Cb -0.10 -3.72 -0.02 0.00 -0.22 0.00 0.00 33.01 28.94 3i26 s GLN 141 CO 0.05 -0.74 1.07 -0.51 -0.25 0.00 0.00 175.29 174.91 3i26 s LEU 142 N 3.19 3.45 0.39 2.90 1.43 -0.18 -4.97 118.68 124.89 3i26 s LEU 142 Ca 0.37 1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 3i26 s LEU 142 Cb -0.14 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.46 3i26 s LEU 142 CO 0.13 -1.29 1.08 -1.10 0.23 0.00 0.00 176.35 175.40 3i26 s GLN 143 N -4.15 4.17 0.39 1.70 -1.52 -1.26 -4.87 119.66 114.13 3i26 s GLN 143 Ca 0.64 1.61 -0.26 0.00 -1.95 0.00 0.00 55.36 55.40 3i26 s GLN 143 Cb -0.17 -2.63 -0.11 0.00 -0.22 0.00 0.00 33.01 29.89 3i26 s GLN 143 CO 0.39 -0.16 1.27 0.00 -0.25 0.00 0.00 175.29 176.55 3i26 n ALA 144 N 0.06 1.27 -1.56 6.09 0.00 -1.26 -4.68 120.51 120.43 3i26 n ALA 144 Ca 0.04 0.30 -0.51 0.00 0.00 0.00 0.00 53.44 53.27 3i26 n ALA 144 Cb 0.48 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 3i26 n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i26 n PRO 145 N 0.22 0.96 -0.10 0.00 -0.02 -1.26 -4.86 135.00 129.94 3i26 n PRO 145 Ca 0.06 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 3i26 n PRO 145 Cb 0.38 -1.87 0.20 0.00 -0.02 0.00 0.00 33.50 32.19 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 3.60 0.71 -3.39 2.55 0.02 -1.92 -3.38 113.55 111.75 3i26 h SER 146 Ca -0.45 -0.15 -0.64 0.00 -0.84 0.00 0.00 61.79 59.71 3i26 h SER 146 Cb 1.36 -0.19 -0.22 0.00 0.14 0.00 0.00 62.40 63.48 3i26 h SER 146 CO 0.71 0.75 -0.66 -0.55 -1.14 0.00 0.00 176.83 175.95 3i26 s SER 147 N -6.64 4.84 -0.04 3.07 0.15 -1.26 -5.09 113.70 108.73 3i26 s SER 147 Ca -0.09 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 3i26 s SER 147 Cb 0.15 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.68 3i26 s SER 147 CO 0.80 0.10 0.06 -0.76 1.20 0.00 0.00 173.24 174.64 3i26 s LEU 148 N 0.80 0.54 1.11 3.45 1.43 -1.26 -4.70 118.68 120.05 3i26 s LEU 148 Ca 0.00 0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 3i26 s LEU 148 Cb -0.14 -0.03 0.25 0.00 0.03 0.00 0.00 46.19 46.29 3i26 s LEU 148 CO 0.02 -0.19 1.07 -2.84 0.23 0.00 0.00 176.35 174.64 3i26 s PRO 149 N 1.66 -0.49 0.16 1.29 0.02 -1.26 -4.96 135.00 131.42 3i26 s PRO 149 Ca -0.02 0.41 -0.34 0.00 0.02 0.00 0.00 61.00 61.08 3i26 s PRO 149 Cb -0.12 -1.64 -0.15 0.00 0.02 0.00 0.00 34.50 32.61 3i26 s PRO 149 CO -0.04 -3.33 1.34 2.41 -0.33 0.00 0.00 177.00 177.06 3i26 n THR 150 N -4.57 0.49 -4.11 0.99 -1.04 -1.26 -4.99 114.28 99.79 3i26 n THR 150 Ca 0.06 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 3i26 n THR 150 Cb 0.57 -1.09 -0.14 0.00 -1.82 0.00 0.00 70.33 67.85 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 0.54 2.01 -0.15 -4.42 1.43 -1.26 -4.07 118.68 112.76 3i26 s LEU 151 Ca 0.76 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 3i26 s LEU 151 Cb -0.81 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3i26 s LEU 151 CO 0.48 0.05 0.04 -1.58 0.23 0.00 0.00 176.35 175.56 3i26 s GLN 152 N -0.14 3.70 0.40 1.70 0.74 0.07 -4.90 119.66 121.23 3i26 s GLN 152 Ca 0.01 -0.36 -0.26 0.00 0.05 0.00 0.00 55.36 54.80 3i26 s GLN 152 Cb -0.02 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 3i26 s GLN 152 CO -0.00 0.40 1.32 0.00 -0.55 0.00 0.00 175.29 176.45 3i26 s ALA 153 N 0.00 3.29 1.16 1.58 0.00 -1.26 -0.45 121.76 126.08 3i26 s ALA 153 Ca 0.05 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 3i26 s ALA 153 Cb -0.12 -3.50 0.27 0.00 0.00 0.00 0.00 23.12 19.77 3i26 s ALA 153 CO 0.01 -0.84 1.08 0.20 0.00 0.00 0.00 175.76 176.22 3i26 s GLY 154 N -0.69 1.56 0.17 0.00 0.00 -0.56 -4.82 107.32 102.98 3i26 s GLY 154 Ca 0.56 -0.71 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 3i26 s GLY 154 CO 0.50 0.09 0.22 -1.34 0.00 0.00 0.00 173.10 172.58 3i26 s VAL 155 N -2.89 0.06 0.00 1.40 -7.23 -1.26 -4.93 120.40 105.55 3i26 s VAL 155 Ca 0.69 -1.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 3i26 s VAL 155 Cb -0.14 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3i26 s VAL 155 CO 0.57 -0.28 0.45 0.00 -0.31 0.00 0.00 175.10 175.53 3i26 h ARG 157 N 4.93 0.80 0.00 0.00 2.43 -1.37 -1.65 114.38 119.52 3i26 h ARG 157 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3i26 h ARG 157 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3i26 h ARG 157 CO 0.64 0.53 0.00 0.25 -1.51 0.00 0.00 179.97 179.88 3i26 n THR 158 N -4.73 0.74 -1.11 0.20 -2.24 -0.76 -4.88 114.28 101.49 3i26 n THR 158 Ca 0.19 0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 62.11 3i26 n THR 158 Cb 0.41 -0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.45 -5.13 -4.57 3.42 5.03 -0.62 -5.02 115.26 106.92 3i26 n ASN 159 Ca 0.05 0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.30 3i26 n ASN 159 Cb 0.19 -2.97 0.14 0.00 -1.02 0.00 0.00 39.78 36.12 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 -1.93 1.20 -0.08 3.52 1.02 -1.26 -4.97 119.74 117.23 3i26 s LYS 160 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 3i26 s LYS 160 Cb 0.00 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 3i26 s LYS 160 CO 0.00 -2.09 1.52 -1.14 -0.92 0.00 0.00 175.35 172.72 3i26 s GLN 161 N -5.62 4.20 0.34 1.68 2.00 -1.26 -4.32 119.66 116.69 3i26 s GLN 161 Ca 0.67 2.02 -0.29 0.00 -2.00 0.00 0.00 55.36 55.76 3i26 s GLN 161 Cb -0.09 -3.89 -0.12 0.00 0.80 0.00 0.00 33.01 29.71 3i26 s GLN 161 CO 0.51 -0.79 1.48 -0.11 -0.50 0.00 0.00 175.29 175.88 3i26 n LEU 162 N 6.85 4.31 -4.69 3.68 7.94 -1.26 -4.94 117.00 128.89 3i26 n LEU 162 Ca 0.16 1.20 -0.42 0.00 -1.11 0.00 0.00 56.01 55.83 3i26 n LEU 162 Cb 0.43 -1.57 -0.00 0.00 0.53 0.00 0.00 43.42 42.81 3i26 n LEU 162 CO 0.60 -0.01 0.85 -2.65 -1.11 0.00 0.00 177.39 175.08 3i26 n PRO 163 N 1.06 1.99 0.16 1.96 -0.02 -1.26 -4.89 135.00 134.00 3i26 n PRO 163 Ca 0.05 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3i26 n PRO 163 Cb 0.37 -2.28 0.25 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.37 0.00 -3.40 2.55 3.32 -1.13 -3.43 116.42 116.70 3i26 h ASP 164 Ca -0.46 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 3i26 h ASP 164 Cb 1.29 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.48 3i26 h ASP 164 CO 0.62 0.01 -0.74 0.21 -1.72 0.00 0.00 179.24 177.61 3i26 s ASN 165 N -5.35 0.76 0.64 6.45 2.47 -0.54 -3.47 114.94 115.90 3i26 s ASN 165 Ca 0.08 0.03 -0.15 0.00 0.42 0.00 0.00 52.86 53.24 3i26 s ASN 165 Cb 0.09 -0.17 -0.01 0.00 -1.45 0.00 0.00 41.25 39.71 3i26 s ASN 165 CO 0.65 -0.18 1.09 -2.16 -3.72 0.00 0.00 177.10 172.78 3i26 s PRO 166 N 1.63 2.96 0.22 0.43 0.04 -1.26 -4.43 135.00 134.59 3i26 s PRO 166 Ca -0.02 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 3i26 s PRO 166 Cb -0.13 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3i26 s PRO 166 CO -0.03 -1.11 1.41 0.50 0.04 0.00 0.00 177.00 177.81 3i26 s ARG 167 N -4.19 4.30 -0.18 4.56 3.52 0.30 -4.88 118.95 122.38 3i26 s ARG 167 Ca 0.65 2.23 -0.00 0.00 -0.13 0.00 0.00 55.73 58.47 3i26 s ARG 167 Cb -0.18 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 3i26 s ARG 167 CO 0.41 -0.39 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.20 3i26 s LEU 168 N -0.14 2.39 0.22 -0.88 2.96 -1.26 -2.63 118.68 119.34 3i26 s LEU 168 Ca 0.59 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 3i26 s LEU 168 Cb -0.40 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 3i26 s LEU 168 CO 0.40 0.02 0.42 0.00 -1.32 0.00 0.00 176.35 175.87 3i26 s ALA 169 N 1.20 -0.17 -0.14 5.97 0.00 -0.71 -1.50 121.76 126.41 3i26 s ALA 169 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3i26 s ALA 169 Cb -0.14 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.02 3i26 s ALA 169 CO -0.07 -0.79 -0.18 -0.51 0.00 0.00 0.00 175.76 174.21 3i26 s LEU 170 N -3.00 1.89 0.82 0.00 1.02 0.40 -0.37 118.68 119.44 3i26 s LEU 170 Ca 0.21 -0.53 -0.11 0.00 0.02 0.00 0.00 54.13 53.71 3i26 s LEU 170 Cb 0.01 -1.28 0.08 0.00 0.02 0.00 0.00 46.19 45.02 3i26 s LEU 170 CO 0.06 0.01 1.09 -0.76 0.02 0.00 0.00 176.35 176.78 3i26 s LEU 171 N 1.13 2.54 -0.00 1.79 1.43 0.66 -0.75 118.68 125.48 3i26 s LEU 171 Ca -0.01 1.38 0.10 0.00 -1.03 0.00 0.00 54.13 54.57 3i26 s LEU 171 Cb -0.14 -3.96 0.30 0.00 0.03 0.00 0.00 46.19 42.42 3i26 s LEU 171 CO -0.06 -2.13 1.24 -1.20 0.23 0.00 0.00 176.35 174.43 3i26 n SER 172 N -3.54 1.86 -0.61 2.29 7.64 -1.26 -4.82 113.62 115.18 3i26 n SER 172 Ca 0.07 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.93 3i26 n SER 172 Cb 0.56 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.48 0.00 -0.37 6.43 5.68 -1.26 -5.06 116.55 122.45 3i26 n ASP 173 Ca 0.11 -0.61 0.08 0.00 -0.50 0.00 0.00 54.79 53.88 3i26 n ASP 173 Cb 0.30 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.00 2.06 -2.34 2.12 -2.24 -1.26 -3.20 114.28 109.42 3i26 n THR 174 Ca 0.00 -2.48 -0.42 0.00 -2.27 0.00 0.00 64.05 58.88 3i26 n THR 174 Cb 0.00 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.98 3.90 0.19 2.28 1.01 -1.26 -4.39 120.40 119.15 3i26 s VAL 175 Ca 0.36 1.32 -0.33 0.00 0.00 0.00 0.00 61.98 63.33 3i26 s VAL 175 Cb 0.32 -3.85 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 3i26 s VAL 175 CO 0.01 0.05 1.43 -2.65 0.00 0.00 0.00 175.10 173.94 3i26 n PRO 176 N 4.60 1.89 -3.94 2.72 -0.02 -1.25 -4.38 135.00 134.62 3i26 n PRO 176 Ca 0.11 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3i26 n PRO 176 Cb 0.45 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 3i26 n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i26 s THR 177 N 0.28 0.09 0.01 3.45 2.01 -0.84 -4.96 115.64 115.68 3i26 s THR 177 Ca 0.73 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3i26 s THR 177 Cb -0.71 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 3i26 s THR 177 CO 0.46 -0.40 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.40 3i26 s SER 178 N -1.23 1.74 0.20 3.53 0.01 -1.26 -0.80 113.70 115.89 3i26 s SER 178 Ca -0.13 -0.34 0.11 0.00 1.31 0.00 0.00 55.95 56.89 3i26 s SER 178 Cb -0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 3i26 s SER 178 CO -0.00 0.13 -0.19 0.68 0.41 0.00 0.00 173.24 174.27 3i26 s VAL 179 N -0.53 2.64 -0.18 3.43 -7.23 -0.43 -4.96 120.40 113.14 3i26 s VAL 179 Ca 0.04 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 3i26 s VAL 179 Cb -0.06 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3i26 s VAL 179 CO 0.00 -0.16 0.04 -1.10 -0.31 0.00 0.00 175.10 173.58 3i26 s GLN 180 N -2.85 3.88 0.14 4.82 1.11 -1.26 0.21 119.66 125.71 3i26 s GLN 180 Ca 0.23 -0.39 0.09 0.00 0.01 0.00 0.00 55.36 55.30 3i26 s GLN 180 Cb -0.08 -3.17 -0.04 0.00 -1.01 0.00 0.00 33.01 28.71 3i26 s GLN 180 CO 0.12 0.22 -0.14 -0.59 0.01 0.00 0.00 175.29 174.91 3i26 s PHE 181 N 0.50 2.60 -0.19 0.91 -0.71 -0.44 -4.19 117.98 116.47 3i26 s PHE 181 Ca 0.02 -0.23 -0.02 0.00 -1.04 0.00 0.00 56.93 55.66 3i26 s PHE 181 Cb -0.13 -1.33 -0.01 0.00 -1.21 0.00 0.00 43.02 40.34 3i26 s PHE 181 CO 0.01 0.44 -0.09 0.08 -1.34 0.00 0.00 175.22 174.33 3i26 s VAL 182 N -1.37 3.09 -0.42 -2.49 1.01 -1.26 -1.13 120.40 117.83 3i26 s VAL 182 Ca 0.21 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3i26 s VAL 182 Cb -0.10 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3i26 s VAL 182 CO 0.13 0.47 0.39 -0.76 0.00 0.00 0.00 175.10 175.32 3i26 s LEU 183 N 1.19 4.97 0.66 3.92 1.43 -0.31 -4.64 118.68 125.90 3i26 s LEU 183 Ca 0.02 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.21 3i26 s LEU 183 Cb -0.14 -2.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 3i26 s LEU 183 CO -0.03 -0.54 1.08 -2.16 0.23 0.00 0.00 176.35 174.92 3i26 s PRO 184 N 1.97 2.94 0.02 1.29 0.04 -1.26 -0.96 135.00 139.05 3i26 s PRO 184 Ca 0.09 1.19 0.26 0.00 0.04 0.00 0.00 61.00 62.59 3i26 s PRO 184 Cb -0.18 -1.98 1.10 0.00 0.04 0.00 0.00 34.50 33.48 3i26 s PRO 184 CO 0.12 -1.11 1.84 0.41 0.04 0.00 0.00 177.00 178.30 3i26 n GLY 185 N -1.12 -1.43 3.49 0.56 0.00 -1.26 -4.62 105.19 100.81 3i26 n GLY 185 Ca 0.09 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.14 -0.40 -0.11 1.61 1.04 -1.26 -1.11 113.70 110.32 3i26 s SER 186 Ca 0.12 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 3i26 s SER 186 Cb 0.17 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.75 3i26 s SER 186 CO 0.49 -0.67 0.09 -0.55 0.98 0.00 0.00 173.24 173.58 3i26 s SER 187 N -2.48 1.70 1.67 7.02 0.15 0.63 -4.84 113.70 117.55 3i26 s SER 187 Ca 0.04 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3i26 s SER 187 Cb -0.01 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3i26 s SER 187 CO -0.09 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.66 3i26 n GLY 188 N 5.29 3.66 0.21 9.45 0.00 -1.26 -0.83 105.19 121.71 3i26 n GLY 188 Ca -0.05 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.14 2.61 -2.24 -1.26 -4.87 114.28 105.38 3i26 n THR 189 Ca 0.00 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 3i26 n THR 189 Cb 0.00 0.20 -0.05 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 -2.43 5.08 -0.03 4.28 2.01 -0.01 -5.04 115.64 119.50 3i26 s THR 190 Ca 0.28 1.24 -0.24 0.00 0.31 0.00 0.00 61.69 63.27 3i26 s THR 190 Cb 0.20 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3i26 s THR 190 CO 0.48 0.24 0.74 -0.63 -0.69 0.00 0.00 174.62 174.77 3i26 s ILE 191 N 0.98 4.94 -0.60 1.82 -1.09 -1.26 -0.27 121.20 125.72 3i26 s ILE 191 Ca 0.32 1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 60.17 3i26 s ILE 191 Cb -0.16 -4.08 0.15 0.00 -1.58 0.00 0.00 42.46 36.79 3i26 s ILE 191 CO 0.14 0.28 0.52 0.00 -1.23 0.00 0.00 174.94 174.65 3i26 h THR 193 N 5.61 0.01 -3.49 0.00 1.35 -1.07 -3.42 112.91 111.90 3i26 h THR 193 Ca -0.14 -1.02 -0.04 0.00 -0.55 0.00 0.00 66.41 64.67 3i26 h THR 193 Cb 1.06 1.87 -0.09 0.00 -1.73 0.00 0.00 68.15 69.25 3i26 h THR 193 CO 0.88 0.01 -0.06 -1.59 -0.25 0.00 0.00 175.52 174.51 3i26 s LYS 194 N -3.25 1.46 -0.02 4.72 0.00 -0.98 -4.36 119.74 117.31 3i26 s LYS 194 Ca 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 55.97 54.95 3i26 s LYS 194 Cb 0.06 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.39 3i26 s LYS 194 CO 0.70 -0.61 -0.03 -1.01 0.00 0.00 0.00 175.35 174.41 3i26 s HIS 195 N -3.95 0.39 -0.26 1.78 3.76 0.02 -1.54 115.29 115.50 3i26 s HIS 195 Ca 0.16 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.84 3i26 s HIS 195 Cb -0.01 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.30 3i26 s HIS 195 CO 0.03 -0.08 0.47 -1.17 -0.85 0.00 0.00 174.74 173.15 3i26 s LEU 196 N 0.45 4.05 -0.05 0.89 0.20 -0.47 -0.79 118.68 122.96 3i26 s LEU 196 Ca -0.05 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.24 3i26 s LEU 196 Cb -0.08 -2.58 0.02 0.00 -0.43 0.00 0.00 46.19 43.12 3i26 s LEU 196 CO -0.01 -0.25 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.04 3i26 s VAL 197 N 2.21 0.77 0.25 1.68 1.01 -0.35 -1.88 120.40 124.09 3i26 s VAL 197 Ca 0.19 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 3i26 s VAL 197 Cb -0.16 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 3i26 s VAL 197 CO 0.09 0.27 0.96 -2.16 0.00 0.00 0.00 175.10 174.26 3i26 s PRO 198 N 0.73 4.82 -0.18 2.72 0.04 -1.26 -0.60 135.00 141.28 3i26 s PRO 198 Ca -0.12 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3i26 s PRO 198 Cb -0.14 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.18 3i26 s PRO 198 CO 0.02 0.47 -0.14 0.12 0.04 0.00 0.00 177.00 177.51 3i26 s PHE 199 N -1.19 2.43 0.15 0.56 5.36 -0.04 -4.65 117.98 120.60 3i26 s PHE 199 Ca 0.42 -1.50 0.04 0.00 -0.96 0.00 0.00 56.93 54.93 3i26 s PHE 199 Cb -0.26 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3i26 s PHE 199 CO 0.33 -0.73 -0.09 0.00 -1.46 0.00 0.00 175.22 173.26 3i26 s TYR 201 N -3.36 -0.33 -0.31 0.00 -0.85 -0.57 -4.95 117.35 106.97 3i26 s TYR 201 Ca 0.17 0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.72 3i26 s TYR 201 Cb 0.03 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 3i26 s TYR 201 CO 0.01 -0.69 0.31 -0.51 -1.52 0.00 0.00 175.55 173.15 3i26 s LEU 202 N -2.64 4.29 0.00 -3.49 1.43 -1.26 -1.33 118.68 115.68 3i26 s LEU 202 Ca 0.06 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3i26 s LEU 202 Cb -0.01 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.98 3i26 s LEU 202 CO -0.07 -0.23 0.37 -0.46 0.23 0.00 0.00 176.35 176.19 3i26 n ASN 203 N 5.27 0.43 -2.51 2.29 6.94 -0.45 -4.83 115.26 122.39 3i26 n ASN 203 Ca -0.10 -1.38 -0.04 0.00 -0.02 0.00 0.00 54.58 53.03 3i26 n ASN 203 Cb 0.50 -0.25 0.02 0.00 -2.36 0.00 0.00 39.78 37.69 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 -2.00 -1.69 -0.78 -2.53 8.25 -1.26 -3.96 115.22 111.25 3i26 n HIS 204 Ca 0.06 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 3i26 n HIS 204 Cb 0.21 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 28.04 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 -1.41 -2.56 3.72 -1.41 0.00 -1.26 -4.74 105.19 97.52 3i26 n GLY 205 Ca -0.02 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.44 2.88 -0.21 0.00 5.36 0.21 -4.81 117.98 118.98 3i26 s PHE 207 Ca 0.68 -1.71 -0.29 0.00 -0.96 0.00 0.00 56.93 54.65 3i26 s PHE 207 Cb -0.24 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 3i26 s PHE 207 CO 0.52 -0.80 1.09 0.99 -1.46 0.00 0.00 175.22 175.56 3i26 s THR 208 N 1.27 4.59 -0.10 0.12 2.01 -1.26 -1.62 115.64 120.65 3i26 s THR 208 Ca 0.03 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 3i26 s THR 208 Cb -0.14 -4.23 0.10 0.00 0.01 0.00 0.00 72.50 68.24 3i26 s THR 208 CO -0.11 -0.16 0.86 0.28 -0.69 0.00 0.00 174.62 174.81 3i26 s THR 209 N 3.20 0.00 -1.42 -0.82 -1.32 -0.69 -4.97 115.64 109.62 3i26 s THR 209 Ca 0.47 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 3i26 s THR 209 Cb -0.17 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.87 3i26 s THR 209 CO 0.09 0.00 0.61 0.61 -2.21 0.00 0.00 174.62 173.72 3i26 n GLY 210 N 0.68 -0.50 1.28 6.08 0.00 -1.26 -3.07 105.19 108.39 3i26 n GLY 210 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.39 0.75 3.77 -0.02 0.00 -1.26 -5.03 105.19 102.00 3i26 n GLY 211 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3i26 n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 212 N -2.39 -0.24 -0.61 1.61 1.04 -1.18 -5.10 113.70 106.84 3i26 s SER 212 Ca 0.00 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.57 3i26 s SER 212 Cb 0.00 0.69 0.07 0.00 0.10 0.00 0.00 66.02 66.88 3i26 s SER 212 CO 0.00 -1.28 0.88 0.00 0.98 0.00 0.00 173.24 173.82 3i26 s LEU 214 N 3.66 4.40 0.42 0.00 1.43 -0.64 -4.69 118.68 123.25 3i26 s LEU 214 Ca 0.21 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 54.08 3i26 s LEU 214 Cb -0.17 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 3i26 s LEU 214 CO 0.12 0.19 1.46 -2.84 0.23 0.00 0.00 176.35 175.50 3i26 s PRO 215 N -1.63 3.86 -0.46 1.29 0.02 -1.26 -0.62 135.00 136.20 3i26 s PRO 215 Ca 0.32 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.71 3i26 s PRO 215 Cb -0.16 -2.79 0.09 0.00 0.02 0.00 0.00 34.50 31.66 3i26 s PRO 215 CO 0.18 -0.70 0.34 0.12 -0.33 0.00 0.00 177.00 176.61 3i26 s PHE 216 N -1.17 3.31 -0.09 6.54 5.36 -0.67 -4.82 117.98 126.45 3i26 s PHE 216 Ca 0.58 -1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 55.15 3i26 s PHE 216 Cb -0.45 -3.21 0.05 0.00 -0.34 0.00 0.00 43.02 39.06 3i26 s PHE 216 CO 0.59 -0.88 0.10 0.20 -1.46 0.00 0.00 175.22 173.78 3i26 s GLY 217 N 2.54 0.19 0.04 13.12 0.00 -1.26 -1.54 107.32 120.41 3i26 s GLY 217 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3i26 s GLY 217 CO 0.03 1.59 -0.04 -1.34 0.00 0.00 0.00 173.10 173.34 3i26 s VAL 218 N 2.20 0.28 0.12 1.40 -7.23 -0.72 -1.58 120.40 114.87 3i26 s VAL 218 Ca 0.04 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.65 3i26 s VAL 218 Cb -0.13 -0.89 0.06 0.00 0.56 0.00 0.00 36.38 35.98 3i26 s VAL 218 CO -0.06 -0.69 0.53 -0.94 -0.31 0.00 0.00 175.10 173.64 3i26 s SER 219 N -2.14 -0.45 -0.15 4.85 1.04 -0.82 -1.03 113.70 115.01 3i26 s SER 219 Ca -0.04 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.37 3i26 s SER 219 Cb -0.02 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 3i26 s SER 219 CO -0.04 -0.88 -0.17 -0.31 0.98 0.00 0.00 173.24 172.83 3i26 s TYR 220 N -3.42 2.75 -0.05 5.02 2.02 -0.22 -0.82 117.35 122.62 3i26 s TYR 220 Ca -0.00 -1.03 -0.04 0.00 -0.37 0.00 0.00 57.07 55.63 3i26 s TYR 220 Cb -0.00 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3i26 s TYR 220 CO -0.10 -0.46 0.13 0.08 -1.57 0.00 0.00 175.55 173.64 3i26 s VAL 221 N 0.72 -0.02 0.26 0.71 1.01 -0.43 -1.47 120.40 121.19 3i26 s VAL 221 Ca -0.07 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3i26 s VAL 221 Cb -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3i26 s VAL 221 CO 0.01 0.03 0.18 -1.54 0.00 0.00 0.00 175.10 173.78 3i26 n SER 222 N 3.47 -0.13 0.27 3.32 3.41 -0.05 -0.15 113.62 123.77 3i26 n SER 222 Ca -0.18 -2.61 0.15 0.00 -0.26 0.00 0.00 58.87 55.97 3i26 n SER 222 Cb 0.56 1.12 0.88 0.00 -0.26 0.00 0.00 64.21 66.51 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 1.43 0.00 -0.14 4.04 3.32 -2.01 -2.91 116.42 120.15 3i26 h ASP 223 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3i26 h ASP 223 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3i26 h ASP 223 CO 0.28 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.26 3i26 n SER 224 N -3.90 2.69 -3.68 6.45 3.41 -1.26 -5.03 113.62 112.30 3i26 n SER 224 Ca -0.02 -2.47 -0.11 0.00 -0.26 0.00 0.00 58.87 56.01 3i26 n SER 224 Cb 0.13 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.72 3i26 n SER 224 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3i26 s PHE 225 N -1.82 -0.67 -0.08 7.33 5.36 -1.10 -5.14 117.98 121.86 3i26 s PHE 225 Ca 0.22 1.51 -0.03 0.00 -0.96 0.00 0.00 56.93 57.67 3i26 s PHE 225 Cb 0.17 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 43.18 3i26 s PHE 225 CO 0.06 -0.34 0.17 -0.47 -1.46 0.00 0.00 175.22 173.18 3i26 s TYR 226 N 0.83 -0.21 -0.06 10.12 5.04 -1.26 -0.87 117.35 130.95 3i26 s TYR 226 Ca -0.04 0.56 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3i26 s TYR 226 Cb -0.05 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.23 3i26 s TYR 226 CO -0.07 -0.19 0.13 -0.47 -1.34 0.00 0.00 175.55 173.61 3i26 s TYR 227 N 1.23 -0.13 0.19 4.97 5.04 -0.54 -5.02 117.35 123.10 3i26 s TYR 227 Ca -0.09 0.41 -0.13 0.00 -2.44 0.00 0.00 57.07 54.82 3i26 s TYR 227 Cb -0.11 -0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.12 3i26 s TYR 227 CO -0.07 -0.14 0.41 0.20 -1.34 0.00 0.00 175.55 174.61 3i26 s GLY 228 N 1.00 0.25 -0.01 8.97 0.00 -1.26 -1.06 107.32 115.20 3i26 s GLY 228 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3i26 s GLY 228 CO -0.05 -0.57 0.01 -0.47 0.00 0.00 0.00 173.10 172.02 3i26 s TYR 229 N -3.93 0.07 -0.06 1.90 5.04 -0.20 -5.00 117.35 115.17 3i26 s TYR 229 Ca 0.14 0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.78 3i26 s TYR 229 Cb 0.01 -0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.22 3i26 s TYR 229 CO 0.00 -0.04 0.13 -0.47 -1.34 0.00 0.00 175.55 173.83 3i26 s TYR 230 N 0.41 -0.14 -0.17 4.97 5.04 -1.26 -1.75 117.35 124.44 3i26 s TYR 230 Ca -0.04 0.42 -0.08 0.00 -2.44 0.00 0.00 57.07 54.94 3i26 s TYR 230 Cb -0.05 -0.05 0.07 0.00 0.35 0.00 0.00 41.96 42.28 3i26 s TYR 230 CO -0.01 -0.13 0.39 0.34 -1.34 0.00 0.00 175.55 174.80 3i26 s ASP 231 N 0.82 -0.31 0.00 4.32 -1.08 -0.59 -4.99 116.67 114.85 3i26 s ASP 231 Ca -0.06 0.88 0.08 0.00 -0.52 0.00 0.00 52.55 52.92 3i26 s ASP 231 Cb -0.08 0.97 0.10 0.00 -1.46 0.00 0.00 42.92 42.44 3i26 s ASP 231 CO -0.04 -0.21 0.86 0.00 0.52 0.00 0.00 175.17 176.29 3i26 n ALA 232 N 4.81 2.39 -1.80 3.66 0.00 -1.26 -1.67 120.51 126.64 3i26 n ALA 232 Ca -0.16 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 3i26 n ALA 232 Cb 0.52 -0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3i26 n ALA 232 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i26 s THR 233 N -0.74 4.05 1.28 0.00 -4.23 -1.26 -4.24 115.64 110.50 3i26 s THR 233 Ca 0.11 1.39 -0.18 0.00 -1.18 0.00 0.00 61.69 61.83 3i26 s THR 233 Cb 0.07 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.58 3i26 s THR 233 CO 0.10 -0.16 0.76 -2.65 -0.54 0.00 0.00 174.62 172.13 3i26 n PRO 234 N -0.44 -3.31 0.00 3.99 -0.02 -1.26 -0.60 135.00 133.35 3i26 n PRO 234 Ca 0.07 -0.96 0.00 0.00 -2.02 0.00 0.00 63.50 60.58 3i26 n PRO 234 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3i26 n PRO 234 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3i26 n THR 239 N -5.21 0.00 -2.97 3.45 5.66 -1.26 -4.85 114.28 109.10 3i26 n THR 239 Ca 0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.65 3i26 n THR 239 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 3i26 n THR 239 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3i26 s GLU 240 N 0.00 4.11 0.06 1.09 2.12 -1.26 -5.04 118.70 119.78 3i26 s GLU 240 Ca 0.00 0.73 0.09 0.00 0.36 0.00 0.00 54.97 56.15 3i26 s GLU 240 Cb 0.00 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 3i26 s GLU 240 CO 0.00 -0.53 -0.23 0.45 -0.54 0.00 0.00 175.26 174.41 3i26 s SER 241 N 1.45 2.81 -0.03 -1.70 0.15 -1.26 -5.13 113.70 109.98 3i26 s SER 241 Ca 0.32 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.31 3i26 s SER 241 Cb -0.15 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 3i26 s SER 241 CO 0.09 0.18 0.15 -1.00 1.20 0.00 0.00 173.24 173.87 3i26 s HIS 242 N -0.88 -0.09 -0.11 3.44 3.76 -1.26 -4.68 115.29 115.48 3i26 s HIS 242 Ca 0.10 0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3i26 s HIS 242 Cb -0.09 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.57 3i26 s HIS 242 CO 0.03 -0.18 0.03 -0.51 -0.85 0.00 0.00 174.74 173.26 3i26 s ASP 243 N -0.56 5.44 -0.28 1.40 1.11 -1.25 -0.47 116.67 122.05 3i26 s ASP 243 Ca -0.06 0.17 -0.29 0.00 0.18 0.00 0.00 52.55 52.55 3i26 s ASP 243 Cb -0.04 -1.64 0.01 0.00 1.07 0.00 0.00 42.92 42.31 3i26 s ASP 243 CO 0.01 0.35 1.19 -0.47 1.18 0.00 0.00 175.17 177.43 3i26 s TYR 244 N -0.68 2.93 -0.01 4.23 5.04 -1.26 -1.35 117.35 126.25 3i26 s TYR 244 Ca 0.11 1.06 0.06 0.00 -2.44 0.00 0.00 57.07 55.86 3i26 s TYR 244 Cb -0.12 -3.72 -0.01 0.00 0.35 0.00 0.00 41.96 38.46 3i26 s TYR 244 CO 0.02 -1.27 -0.19 0.08 -1.34 0.00 0.00 175.55 172.85 3i26 s VAL 245 N 3.87 1.50 0.07 3.14 1.01 -0.44 -4.90 120.40 124.66 3i26 s VAL 245 Ca 0.51 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3i26 s VAL 245 Cb -0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i26 s VAL 245 CO 0.18 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.56 3i26 s ASP 247 N -1.70 3.60 -0.26 0.00 1.01 0.74 -4.95 116.67 115.10 3i26 s ASP 247 Ca -0.03 -0.73 -0.02 0.00 0.71 0.00 0.00 52.55 52.49 3i26 s ASP 247 Cb -0.10 -0.36 0.03 0.00 1.01 0.00 0.00 42.92 43.50 3i26 s ASP 247 CO 0.02 0.15 -0.04 -0.31 0.21 0.00 0.00 175.17 175.19 3i26 s TYR 248 N -1.38 3.13 -0.07 4.23 1.51 -1.26 -0.86 117.35 122.64 3i26 s TYR 248 Ca 0.19 -1.67 -0.01 0.00 -1.01 0.00 0.00 57.07 54.57 3i26 s TYR 248 Cb -0.09 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3i26 s TYR 248 CO 0.09 -0.75 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.26 3i26 s LEU 249 N 1.30 3.52 -0.22 -1.29 1.43 0.23 -4.90 118.68 118.75 3i26 s LEU 249 Ca -0.02 0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 52.91 3i26 s LEU 249 Cb -0.18 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3i26 s LEU 249 CO -0.03 0.36 0.95 0.12 0.23 0.00 0.00 176.35 177.98 3i26 s PHE 250 N -0.91 3.35 -0.02 0.29 5.36 -1.26 -1.21 117.98 123.59 3i26 s PHE 250 Ca 0.14 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 57.48 3i26 s PHE 250 Cb -0.11 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.40 3i26 s PHE 250 CO 0.03 -0.42 -0.05 -1.64 -1.46 0.00 0.00 175.22 171.69 3i26 s MET 251 N 2.91 0.60 0.55 10.12 -1.94 0.03 -4.97 119.30 126.60 3i26 s MET 251 Ca 0.41 -0.15 -0.17 0.00 -1.71 0.00 0.00 55.69 54.07 3i26 s MET 251 Cb -0.15 -0.61 -0.06 0.00 2.01 0.00 0.00 34.83 36.02 3i26 s MET 251 CO 0.08 0.03 1.04 -1.21 -0.01 0.00 0.00 175.02 174.95 3i26 s GLU 252 N 0.36 3.55 0.60 2.03 2.02 -1.26 -0.80 118.70 125.20 3i26 s GLU 252 Ca -0.04 1.22 -0.19 0.00 0.02 0.00 0.00 54.97 55.97 3i26 s GLU 252 Cb -0.08 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3i26 s GLU 252 CO -0.00 -0.63 1.20 -0.35 0.02 0.00 0.00 175.26 175.50 3i26 n PRO 253 N -1.65 1.20 -2.19 0.39 -0.04 -1.26 -4.88 135.00 126.57 3i26 n PRO 253 Ca 0.09 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3i26 n PRO 253 Cb 0.53 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 1.00 -0.90 3.81 0.55 0.00 -0.13 -4.99 105.19 104.54 3i26 n GLY 254 Ca 0.14 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.86 5.36 0.12 2.61 2.01 -1.26 -1.16 115.64 121.46 3i26 s THR 255 Ca 0.00 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.22 3i26 s THR 255 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3i26 s THR 255 CO 0.00 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 3i26 s TYR 256 N -0.51 1.43 -0.03 4.92 2.02 -0.28 -4.83 117.35 120.07 3i26 s TYR 256 Ca 0.12 -0.54 -0.22 0.00 -0.37 0.00 0.00 57.07 56.06 3i26 s TYR 256 Cb -0.12 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.65 3i26 s TYR 256 CO 0.02 0.15 0.66 -0.80 -1.57 0.00 0.00 175.55 174.00 3i26 s ASN 257 N -2.39 6.99 -0.47 2.29 0.01 0.79 -1.32 114.94 120.84 3i26 s ASN 257 Ca 0.08 1.18 -0.19 0.00 -0.71 0.00 0.00 52.86 53.23 3i26 s ASN 257 Cb -0.06 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.25 3i26 s ASN 257 CO 0.03 -0.01 0.59 0.00 -1.51 0.00 0.00 177.10 176.20 3i26 s ALA 258 N 0.33 3.39 0.12 0.60 0.00 0.13 -1.31 121.76 125.01 3i26 s ALA 258 Ca 0.34 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.78 3i26 s ALA 258 Cb -0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3i26 s ALA 258 CO 0.18 -1.87 0.03 -1.12 0.00 0.00 0.00 175.76 172.98 3i26 s SER 259 N 2.34 5.12 0.02 0.00 0.01 -0.01 -1.31 113.70 119.88 3i26 s SER 259 Ca 0.16 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.24 3i26 s SER 259 Cb -0.18 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 3i26 s SER 259 CO 0.14 0.14 -0.05 0.28 0.41 0.00 0.00 173.24 174.16 3i26 s THR 260 N -1.48 0.31 -1.22 1.44 -1.32 0.02 -1.94 115.64 111.47 3i26 s THR 260 Ca 0.27 -0.68 0.24 0.00 -1.21 0.00 0.00 61.69 60.31 3i26 s THR 260 Cb -0.11 -0.37 0.31 0.00 -1.51 0.00 0.00 72.50 70.83 3i26 s THR 260 CO 0.20 -0.25 1.79 1.33 -2.21 0.00 0.00 174.62 175.47 3i26 n VAL 261 N 2.07 0.30 0.00 5.08 0.24 -0.61 -1.98 118.33 123.42 3i26 n VAL 261 Ca -0.19 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3i26 n VAL 261 Cb 0.56 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 3i26 n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i26 n GLY 262 N 0.86 4.70 5.00 7.63 0.00 -1.26 -3.86 105.19 118.27 3i26 n GLY 262 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.86 0.00 -2.93 1.61 3.00 -1.19 -4.81 118.16 111.97 3i26 n LYS 263 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 3i26 n LYS 263 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 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 3.67 -0.09 5.64 0.40 -1.26 -0.25 117.98 126.09 3i26 s PHE 264 Ca 0.00 1.46 0.03 0.00 -0.60 0.00 0.00 56.93 57.82 3i26 s PHE 264 Cb 0.00 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.65 3i26 s PHE 264 CO 0.00 0.14 -0.16 -1.17 0.70 0.00 0.00 175.22 174.73 3i26 s LEU 265 N 0.47 1.77 -0.10 -0.37 2.96 0.50 -4.71 118.68 119.21 3i26 s LEU 265 Ca 0.42 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3i26 s LEU 265 Cb -0.20 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.46 3i26 s LEU 265 CO 0.23 0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 3i26 s VAL 266 N 0.68 1.21 -0.02 1.68 1.01 -1.26 -1.73 120.40 121.98 3i26 s VAL 266 Ca -0.13 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3i26 s VAL 266 Cb -0.16 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3i26 s VAL 266 CO 0.03 0.39 0.18 -0.72 0.00 0.00 0.00 175.10 174.98 3i26 s TYR 267 N 1.22 -0.07 0.38 5.22 -0.85 -1.08 -4.71 117.35 117.47 3i26 s TYR 267 Ca -0.03 0.12 -0.25 0.00 -0.52 0.00 0.00 57.07 56.39 3i26 s TYR 267 Cb -0.14 0.01 -0.09 0.00 0.38 0.00 0.00 41.96 42.12 3i26 s TYR 267 CO -0.04 -0.24 1.10 -1.25 -1.52 0.00 0.00 175.55 173.60 3i26 s PRO 268 N -0.91 4.19 0.00 -3.49 0.04 -1.26 -0.54 135.00 133.03 3i26 s PRO 268 Ca -0.10 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.68 3i26 s PRO 268 Cb -0.05 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3i26 s PRO 268 CO 0.02 -0.16 0.35 0.25 0.04 0.00 0.00 177.00 177.50 3i26 n THR 269 N 0.16 0.00 -3.79 1.26 -2.24 -1.26 -4.85 114.28 103.56 3i26 n THR 269 Ca 0.04 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 3i26 n THR 269 Cb 0.48 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.38 0.66 0.09 -0.78 1.02 -1.26 -1.01 119.74 117.07 3i26 s LYS 270 Ca 0.03 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 3i26 s LYS 270 Cb 0.05 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 3i26 s LYS 270 CO 0.22 -0.18 0.16 -1.54 -0.92 0.00 0.00 175.35 173.08 3i26 s SER 271 N -1.57 0.17 -0.40 2.83 1.04 -0.80 -4.69 113.70 110.27 3i26 s SER 271 Ca -0.11 -0.71 -0.21 0.00 0.48 0.00 0.00 55.95 55.39 3i26 s SER 271 Cb -0.04 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3i26 s SER 271 CO 0.01 -0.72 0.68 -0.31 0.98 0.00 0.00 173.24 173.89 3i26 s TYR 272 N -3.87 3.09 -0.08 5.02 1.51 -0.79 -1.10 117.35 121.12 3i26 s TYR 272 Ca 0.06 0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 56.03 3i26 s TYR 272 Cb 0.05 -3.34 -0.02 0.00 -0.11 0.00 0.00 41.96 38.54 3i26 s TYR 272 CO -0.10 -0.79 0.92 0.00 -1.11 0.00 0.00 175.55 174.47 3i26 s MET 274 N 1.60 0.83 0.10 0.00 -1.94 -0.59 -0.68 119.30 118.62 3i26 s MET 274 Ca 0.46 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 3i26 s MET 274 Cb -0.19 -0.80 0.02 0.00 2.01 0.00 0.00 34.83 35.87 3i26 s MET 274 CO 0.20 0.19 0.14 -0.40 -0.01 0.00 0.00 175.02 175.14 3i26 n ASP 275 N 1.80 0.28 -4.25 3.03 5.68 -1.12 -0.56 116.55 121.41 3i26 n ASP 275 Ca -0.19 -1.21 -0.30 0.00 -0.50 0.00 0.00 54.79 52.58 3i26 n ASP 275 Cb 0.55 -0.08 -0.16 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.15 1.93 0.18 2.12 2.01 -1.26 -4.13 115.64 116.63 3i26 s THR 276 Ca 0.10 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.18 3i26 s THR 276 Cb -0.01 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3i26 s THR 276 CO 0.06 0.54 -0.14 0.00 -0.69 0.00 0.00 174.62 174.40 3i26 s MET 277 N -0.25 1.90 -0.42 4.92 0.23 -0.72 -4.72 119.30 120.23 3i26 s MET 277 Ca 0.00 -1.33 0.02 0.00 -1.03 0.00 0.00 55.69 53.35 3i26 s MET 277 Cb -0.12 -2.07 0.49 0.00 -1.53 0.00 0.00 34.83 31.59 3i26 s MET 277 CO 0.02 0.43 1.84 0.09 -2.03 0.00 0.00 175.02 175.37 3i26 n ASN 278 N 0.16 4.82 -3.91 -1.18 3.02 -1.26 -4.70 115.26 112.22 3i26 n ASN 278 Ca -0.12 -3.38 -0.09 0.00 -0.03 0.00 0.00 54.58 50.96 3i26 n ASN 278 Cb 0.55 -0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.09 0.15 -0.27 2.41 -4.36 -1.26 -5.15 121.20 109.62 3i26 s ILE 279 Ca 0.49 -1.20 -0.02 0.00 -0.26 0.00 0.00 60.65 59.66 3i26 s ILE 279 Cb 0.40 -1.19 0.04 0.00 1.25 0.00 0.00 42.46 42.96 3i26 s ILE 279 CO 0.06 -0.66 -0.03 -0.89 0.24 0.00 0.00 174.94 173.65 3i26 s THR 280 N -3.35 2.90 -0.17 8.37 2.01 -1.26 -4.49 115.64 119.66 3i26 s THR 280 Ca 0.01 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.81 3i26 s THR 280 Cb 0.03 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.98 3i26 s THR 280 CO -0.08 0.05 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.01 3i26 s VAL 281 N 1.28 1.98 0.51 3.82 1.01 -0.36 -5.03 120.40 123.62 3i26 s VAL 281 Ca -0.03 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 3i26 s VAL 281 Cb -0.18 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 3i26 s VAL 281 CO -0.03 0.53 1.31 -2.65 0.00 0.00 0.00 175.10 174.26 3i26 n PRO 282 N 4.55 1.75 -2.28 2.72 -0.01 -1.26 -4.41 135.00 136.06 3i26 n PRO 282 Ca -0.20 0.64 -0.25 0.00 -0.01 0.00 0.00 63.50 63.67 3i26 n PRO 282 Cb 0.50 -2.50 0.06 0.00 -0.01 0.00 0.00 33.50 31.56 3i26 n PRO 282 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3i26 s VAL 283 N -1.27 2.41 -0.05 -1.45 -7.23 -0.80 -4.68 120.40 107.33 3i26 s VAL 283 Ca 0.68 -0.32 0.06 0.00 -1.81 0.00 0.00 61.98 60.59 3i26 s VAL 283 Cb -0.44 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 3i26 s VAL 283 CO 0.52 -0.03 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.96 3i26 s GLN 284 N -5.16 2.28 -0.06 4.82 -0.21 -0.01 -0.92 119.66 120.41 3i26 s GLN 284 Ca 0.59 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 55.16 3i26 s GLN 284 Cb -0.11 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 31.95 3i26 s GLN 284 CO 0.44 0.37 -0.09 0.00 -2.12 0.00 0.00 175.29 173.89 3i26 s ALA 285 N -0.17 1.01 -0.13 6.09 0.00 -0.78 0.10 121.76 127.89 3i26 s ALA 285 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 3i26 s ALA 285 Cb -0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3i26 s ALA 285 CO 0.03 0.04 0.11 0.08 0.00 0.00 0.00 175.76 176.01 3i26 s VAL 286 N 0.82 5.23 0.16 0.00 1.01 -0.35 -0.96 120.40 126.30 3i26 s VAL 286 Ca -0.12 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.62 3i26 s VAL 286 Cb -0.15 -3.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 3i26 s VAL 286 CO 0.02 0.58 1.52 1.67 0.00 0.00 0.00 175.10 178.89 3i26 n GLN 287 N 2.32 1.96 -3.95 2.72 -0.06 -0.57 -4.61 117.38 115.19 3i26 n GLN 287 Ca -0.19 0.71 -0.31 0.00 -2.00 0.00 0.00 57.00 55.21 3i26 n GLN 287 Cb 0.54 -2.44 -0.15 0.00 -4.06 0.00 0.00 30.24 24.13 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 0.76 4.59 0.21 1.69 0.15 -1.26 -4.85 113.70 114.99 3i26 s SER 288 Ca 0.78 -2.05 0.01 0.00 0.70 0.00 0.00 55.95 55.39 3i26 s SER 288 Cb -0.72 -1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 3i26 s SER 288 CO 0.41 -0.39 0.07 0.27 1.20 0.00 0.00 173.24 174.80 3i26 s ILE 289 N 1.05 0.46 0.47 6.45 -4.36 -1.26 -3.82 121.20 120.19 3i26 s ILE 289 Ca 0.11 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 3i26 s ILE 289 Cb -0.19 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.11 3i26 s ILE 289 CO -0.12 -0.18 0.69 0.26 0.24 0.00 0.00 174.94 175.83 3i26 s TRP 290 N -3.82 3.17 1.05 1.37 0.52 -1.26 -4.96 118.94 115.01 3i26 s TRP 290 Ca 0.33 0.20 -0.15 0.00 0.02 0.00 0.00 56.10 56.49 3i26 s TRP 290 Cb 0.07 -2.38 0.09 0.00 -1.15 0.00 0.00 33.47 30.10 3i26 s TRP 290 CO 0.10 -0.44 0.30 -1.13 0.02 0.00 0.00 176.95 175.79 3i26 n SER 291 N -2.12 -2.09 0.27 2.95 3.41 -1.26 -4.51 113.62 110.27 3i26 n SER 291 Ca 0.02 0.08 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 3i26 n SER 291 Cb 0.58 -1.10 0.78 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.90 0.00 0.00 4.33 5.08 -1.94 -2.38 114.58 117.76 3i26 h GLU 292 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3i26 h GLU 292 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3i26 h GLU 292 CO 0.38 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 3i26 n GLN 293 N -3.59 0.00 -4.34 2.33 10.64 -1.26 -4.81 117.38 116.35 3i26 n GLN 293 Ca -0.02 0.13 -0.24 0.00 -1.83 0.00 0.00 57.00 55.04 3i26 n GLN 293 Cb 0.21 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.01 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 -3.00 2.55 -0.38 2.61 1.51 -0.90 -5.10 117.35 114.64 3i26 s TYR 294 Ca 0.10 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.58 3i26 s TYR 294 Cb 0.14 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3i26 s TYR 294 CO 0.39 0.56 0.78 0.00 -1.11 0.00 0.00 175.55 176.17 3i26 s ALA 295 N -2.46 3.40 0.51 3.71 0.00 -1.26 -4.82 121.76 120.84 3i26 s ALA 295 Ca 0.33 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.64 3i26 s ALA 295 Cb -0.03 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.75 3i26 s ALA 295 CO 0.19 -1.57 0.58 -1.12 0.00 0.00 0.00 175.76 173.84 3i26 s SER 296 N 1.90 5.07 0.28 0.00 0.01 -1.26 -1.54 113.70 118.16 3i26 s SER 296 Ca 0.31 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.74 3i26 s SER 296 Cb -0.13 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3i26 s SER 296 CO 0.18 -1.06 0.16 1.51 0.41 0.00 0.00 173.24 174.44 3i26 s ASP 297 N -4.42 1.28 -0.30 2.44 3.84 -1.26 -4.60 116.67 113.65 3i26 s ASP 297 Ca 0.51 -1.53 0.08 0.00 -0.00 0.00 0.00 52.55 51.61 3i26 s ASP 297 Cb -0.05 0.38 0.47 0.00 -1.38 0.00 0.00 42.92 42.34 3i26 s ASP 297 CO 0.32 -0.88 1.36 -0.67 -0.00 0.00 0.00 175.17 175.30 3i26 n ASP 298 N -0.84 3.27 -0.35 2.11 2.03 -1.26 -4.72 116.55 116.79 3i26 n ASP 298 Ca 0.02 -3.82 0.06 0.00 0.52 0.00 0.00 54.79 51.57 3i26 n ASP 298 Cb 0.65 -0.55 0.22 0.00 -0.72 0.00 0.00 41.12 40.72 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 1.39 1.45 -0.40 -1.67 0.00 -1.97 -0.81 119.26 117.25 3i26 h ALA 299 Ca 0.23 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3i26 h ALA 299 Cb 1.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3i26 h ALA 299 CO 0.47 0.20 0.07 0.82 0.00 0.00 0.00 179.25 180.81 3i26 h ILE 300 N 0.96 1.24 -0.03 0.00 1.08 -1.95 0.14 117.51 118.95 3i26 h ILE 300 Ca 0.48 -0.86 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 3i26 h ILE 300 Cb 0.47 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3i26 h ILE 300 CO -0.26 0.29 -0.23 1.23 -0.69 0.00 0.00 178.15 178.49 3i26 h GLY 301 N 0.51 0.05 1.60 5.37 0.00 -1.79 0.30 103.07 109.11 3i26 h GLY 301 Ca 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 3i26 h GLY 301 CO 0.01 0.03 -1.12 1.46 0.00 0.00 0.00 176.54 176.92 3i26 h GLN 302 N 0.04 0.00 0.19 4.80 1.08 -0.87 -3.33 115.11 117.02 3i26 h GLN 302 Ca 0.01 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.88 3i26 h GLN 302 Cb 0.43 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3i26 h GLN 302 CO 0.03 0.66 -1.53 0.00 -0.95 0.00 0.00 178.83 177.04 3i26 h ALA 303 N 1.18 0.04 -1.63 3.87 0.00 -0.29 -3.43 119.26 119.00 3i26 h ALA 303 Ca -0.10 -0.98 -0.66 0.00 0.00 0.00 0.00 54.91 53.17 3i26 h ALA 303 Cb 1.71 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 3i26 h ALA 303 CO 0.09 0.90 1.09 0.00 0.00 0.00 0.00 179.25 181.33 3i26 s LYS 305 N 3.50 1.15 0.51 0.00 1.02 -1.25 -4.42 119.74 120.24 3i26 s LYS 305 Ca 0.38 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 3i26 s LYS 305 Cb -0.03 -1.21 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3i26 s LYS 305 CO -0.09 0.26 1.25 0.00 -0.92 0.00 0.00 175.35 175.84 3i26 n ALA 306 N 0.62 1.19 0.70 5.17 0.00 -1.22 -1.68 120.51 125.28 3i26 n ALA 306 Ca -0.16 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.54 3i26 n ALA 306 Cb 0.56 -2.27 0.28 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.60 2.13 -0.00 0.00 -0.04 -1.26 -4.87 135.00 130.36 3i26 n PRO 307 Ca 0.10 -1.71 0.08 0.00 -0.04 0.00 0.00 63.50 61.92 3i26 n PRO 307 Cb 0.43 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.92 0.00 -3.73 0.54 0.18 -0.85 -4.73 117.16 109.50 3i26 n TYR 308 Ca 0.18 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.83 3i26 n TYR 308 Cb 0.46 -0.04 -0.10 0.00 -0.38 0.00 0.00 39.34 39.28 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 0.47 4.97 -0.17 0.00 1.01 -0.10 -3.45 121.20 123.92 3i26 s ILE 310 Ca -0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 3i26 s ILE 310 Cb -0.04 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3i26 s ILE 310 CO -0.02 -0.19 0.35 0.12 0.00 0.00 0.00 174.94 175.20 3i26 s PHE 311 N 1.64 3.43 -0.50 3.97 5.36 -1.26 -1.86 117.98 128.75 3i26 s PHE 311 Ca 0.04 0.63 -0.08 0.00 -0.96 0.00 0.00 56.93 56.56 3i26 s PHE 311 Cb -0.19 -2.44 0.13 0.00 -0.34 0.00 0.00 43.02 40.18 3i26 s PHE 311 CO 0.09 0.12 0.36 0.71 -1.46 0.00 0.00 175.22 175.04 3i26 s TYR 312 N 0.85 3.46 0.57 10.12 2.02 -0.13 -4.90 117.35 129.34 3i26 s TYR 312 Ca 0.18 -2.03 -0.16 0.00 -0.37 0.00 0.00 57.07 54.69 3i26 s TYR 312 Cb -0.14 -3.46 -0.05 0.00 -0.40 0.00 0.00 41.96 37.92 3i26 s TYR 312 CO 0.06 -0.98 1.04 1.21 -1.57 0.00 0.00 175.55 175.31 3i26 s ASN 313 N 2.35 6.01 0.17 2.29 3.84 -1.26 -1.51 114.94 126.84 3i26 s ASN 313 Ca 0.08 1.74 -0.26 0.00 0.21 0.00 0.00 52.86 54.62 3i26 s ASN 313 Cb -0.24 -2.52 -0.08 0.00 -0.55 0.00 0.00 41.25 37.85 3i26 s ASN 313 CO -0.02 -1.01 0.80 -0.54 -2.79 0.00 0.00 177.10 173.55 3i26 s LYS 314 N -4.12 4.61 0.00 0.43 1.02 -1.26 -4.87 119.74 115.55 3i26 s LYS 314 Ca 0.62 1.21 0.19 0.00 0.02 0.00 0.00 55.97 58.01 3i26 s LYS 314 Cb -0.14 -3.27 -0.18 0.00 -0.52 0.00 0.00 37.83 33.72 3i26 s LYS 314 CO 0.36 0.54 0.83 0.25 -0.92 0.00 0.00 175.35 176.42 3i26 n THR 315 N 1.65 0.00 -4.46 2.17 -2.24 -1.26 -4.98 114.28 105.16 3i26 n THR 315 Ca -0.05 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 3i26 n THR 315 Cb 0.48 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.72 2.02 1.09 4.28 -4.23 -1.26 -5.15 115.64 109.67 3i26 s THR 316 Ca 0.08 -2.22 -0.13 0.00 -1.18 0.00 0.00 61.69 58.25 3i26 s THR 316 Cb 0.15 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.79 3i26 s THR 316 CO 0.74 -0.32 1.06 -2.84 -0.54 0.00 0.00 174.62 172.72 3i26 s PRO 317 N -3.64 -0.34 -0.43 3.99 0.02 -1.26 -4.90 135.00 128.45 3i26 s PRO 317 Ca 0.30 0.62 -0.28 0.00 0.02 0.00 0.00 61.00 61.66 3i26 s PRO 317 Cb 0.01 -1.64 -0.01 0.00 0.02 0.00 0.00 34.50 32.88 3i26 s PRO 317 CO 0.13 -3.27 1.75 -0.47 -0.33 0.00 0.00 177.00 174.81 3i26 s TYR 318 N -2.73 1.87 -0.16 6.54 5.04 -1.26 -4.94 117.35 121.71 3i26 s TYR 318 Ca 0.67 0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 55.97 3i26 s TYR 318 Cb -0.22 -4.15 0.04 0.00 0.35 0.00 0.00 41.96 37.98 3i26 s TYR 318 CO 0.61 -2.60 -0.05 0.99 -1.34 0.00 0.00 175.55 173.16 3i26 s THR 319 N 7.25 1.10 -0.20 4.34 2.01 -1.26 -4.55 115.64 124.32 3i26 s THR 319 Ca 0.73 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 3i26 s THR 319 Cb -0.18 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.06 3i26 s THR 319 CO 0.30 0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 3i26 s VAL 320 N 1.64 2.85 -0.03 3.82 1.01 -1.26 -1.68 120.40 126.75 3i26 s VAL 320 Ca 0.01 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.42 3i26 s VAL 320 Cb -0.15 -2.27 -0.16 0.00 0.00 0.00 0.00 36.38 33.80 3i26 s VAL 320 CO -0.08 0.47 0.23 0.35 0.00 0.00 0.00 175.10 176.08 3i26 n THR 321 N 4.73 0.00 -2.99 3.92 -2.24 -1.26 -4.82 114.28 111.61 3i26 n THR 321 Ca -0.19 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3i26 n THR 321 Cb 0.50 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.84 -0.70 -2.32 3.42 5.15 -1.26 -5.13 115.26 112.58 3i26 n ASN 322 Ca -0.02 -3.26 -0.11 0.00 -0.60 0.00 0.00 54.58 50.60 3i26 n ASN 322 Cb 0.27 0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.99 3i26 n ASN 322 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i26 n GLY 323 N 0.53 3.52 0.14 8.20 0.00 -1.26 -4.94 105.19 111.39 3i26 n GLY 323 Ca 0.16 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 3i26 n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i26 h SER 324 N 0.98 0.50 -1.64 1.61 4.64 -1.19 -3.48 113.55 114.97 3i26 h SER 324 Ca -0.13 -0.43 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3i26 h SER 324 Cb 0.62 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3i26 h SER 324 CO 0.20 1.25 0.01 -0.90 -0.87 0.00 0.00 176.83 176.52 3i26 n ASP 325 N -3.69 -0.30 0.10 4.97 5.68 -1.25 -5.01 116.55 117.05 3i26 n ASP 325 Ca -0.07 -1.29 0.09 0.00 -0.50 0.00 0.00 54.79 53.02 3i26 n ASP 325 Cb 0.88 0.53 0.42 0.00 -1.14 0.00 0.00 41.12 41.81 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 -2.61 1.31 -0.68 2.12 0.00 -1.26 -2.27 120.51 117.12 3i26 n ALA 326 Ca -0.03 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3i26 n ALA 326 Cb 0.10 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.38 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 2.43 -3.63 0.00 3.02 -1.26 -4.54 115.26 109.26 3i26 n ASN 327 Ca 0.01 -2.68 -0.21 0.00 -0.03 0.00 0.00 54.58 51.67 3i26 n ASN 327 Cb 0.11 -0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.18 -0.01 0.00 3.10 3.76 -0.96 -4.92 115.29 114.08 3i26 s HIS 328 Ca 0.23 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 3i26 s HIS 328 Cb 0.19 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.41 3i26 s HIS 328 CO 0.03 -0.35 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 3i26 n GLY 329 N 5.30 0.87 3.71 -2.22 0.00 -1.26 -2.94 105.19 108.65 3i26 n GLY 329 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.22 6.70 0.19 1.61 3.68 -1.26 -4.40 116.67 121.97 3i26 s ASP 330 Ca 0.00 2.46 -0.10 0.00 2.13 0.00 0.00 52.55 57.04 3i26 s ASP 330 Cb 0.00 -2.59 0.12 0.00 -1.45 0.00 0.00 42.92 39.00 3i26 s ASP 330 CO 0.00 -0.75 1.75 0.44 0.13 0.00 0.00 175.17 176.74 3i26 h ASP 331 N 6.99 0.96 0.12 -0.34 3.32 -1.70 -1.53 116.42 124.25 3i26 h ASP 331 Ca -0.42 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3i26 h ASP 331 Cb 1.20 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3i26 h ASP 331 CO 0.89 0.88 -0.06 -0.08 -1.72 0.00 0.00 179.24 179.15 3i26 h GLU 332 N 0.99 -0.15 -0.58 3.56 4.81 -1.91 -2.05 114.58 119.26 3i26 h GLU 332 Ca 0.23 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3i26 h GLU 332 Cb 0.22 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3i26 h GLU 332 CO -0.02 0.06 0.03 0.28 -0.73 0.00 0.00 179.01 178.64 3i26 h VAL 333 N -0.35 1.26 -1.00 0.32 2.07 -1.91 -0.44 116.25 116.20 3i26 h VAL 333 Ca -0.02 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.53 3i26 h VAL 333 Cb 0.28 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3i26 h VAL 333 CO 0.03 0.39 0.64 0.03 0.02 0.00 0.00 177.57 178.67 3i26 h ARG 334 N 0.90 1.04 -0.25 1.57 3.08 -1.18 0.22 114.38 119.77 3i26 h ARG 334 Ca 0.17 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 3i26 h ARG 334 Cb 0.48 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3i26 h ARG 334 CO 0.02 0.69 -0.37 1.98 -1.07 0.00 0.00 179.97 181.23 3i26 h MET 335 N 1.08 0.69 -0.79 0.04 4.05 -0.77 -2.81 114.93 116.41 3i26 h MET 335 Ca 0.47 -0.41 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3i26 h MET 335 Cb 0.34 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.14 3i26 h MET 335 CO -0.22 1.03 0.51 0.52 0.23 0.00 0.00 176.91 178.98 3i26 h MET 336 N 0.41 0.99 0.00 0.39 2.86 0.08 -2.62 114.93 117.03 3i26 h MET 336 Ca 0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3i26 h MET 336 Cb 0.96 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3i26 h MET 336 CO 0.09 0.65 0.00 0.52 1.06 0.00 0.00 176.91 179.23 3i26 h MET 337 N 1.02 0.00 -0.21 1.72 2.07 -0.50 -0.77 114.93 118.26 3i26 h MET 337 Ca 0.31 0.00 0.06 0.00 -2.07 0.00 0.00 59.70 58.00 3i26 h MET 337 Cb -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 3i26 h MET 337 CO -0.10 0.00 0.22 1.96 1.07 0.00 0.00 176.91 180.07 3i26 h GLN 338 N 0.00 0.00 -0.26 1.72 1.08 -1.20 -2.31 115.11 114.14 3i26 h GLN 338 Ca 0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3i26 h GLN 338 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3i26 h GLN 338 CO 0.00 0.00 0.24 0.78 -0.95 0.00 0.00 178.83 178.90 3i26 h GLY 339 N 0.00 0.00 1.65 3.46 0.00 -1.26 -2.07 103.07 104.85 3i26 h GLY 339 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3i26 h GLY 339 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3i26 n LEU 340 N -4.01 0.00 -0.80 3.11 4.77 -0.87 -2.26 117.00 116.94 3i26 n LEU 340 Ca 0.03 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 3i26 n LEU 340 Cb 0.39 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 3i26 n LEU 340 CO 0.30 -0.05 0.63 0.18 -1.33 0.00 0.00 177.39 177.12 3i26 n LEU 341 N -1.33 2.55 -4.91 2.23 4.77 -0.78 -4.74 117.00 114.81 3i26 n LEU 341 Ca 0.11 -0.86 -0.28 0.00 -0.03 0.00 0.00 56.01 54.95 3i26 n LEU 341 Cb 0.22 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3i26 n LEU 341 CO 0.20 0.43 0.29 -0.13 -1.33 0.00 0.00 177.39 176.85 3i26 s ARG 342 N -2.08 3.60 -0.26 3.23 0.52 -0.96 -5.03 118.95 117.98 3i26 s ARG 342 Ca 0.28 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.26 3i26 s ARG 342 Cb 0.20 -2.55 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 3i26 s ARG 342 CO 0.35 0.07 1.32 1.21 0.02 0.00 0.00 175.30 178.26 3i26 s ASN 343 N -3.55 6.72 0.02 0.23 3.84 -1.26 -4.79 114.94 116.13 3i26 s ASN 343 Ca 0.45 1.35 0.03 0.00 0.21 0.00 0.00 52.86 54.90 3i26 s ASN 343 Cb -0.10 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 3i26 s ASN 343 CO 0.35 -1.02 -0.08 -0.44 -2.79 0.00 0.00 177.10 173.12 3i26 s SER 344 N 2.70 0.95 0.00 -4.21 0.01 -1.26 -3.52 113.70 108.37 3i26 s SER 344 Ca 0.57 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3i26 s SER 344 Cb -0.18 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3i26 s SER 344 CO 0.21 -0.01 0.14 -1.20 0.41 0.00 0.00 173.24 172.80 3i26 n SER 345 N 2.34 0.29 -3.74 2.44 7.64 0.12 -4.29 113.62 118.42 3i26 n SER 345 Ca -0.17 -0.62 -0.16 0.00 1.01 0.00 0.00 58.87 58.94 3i26 n SER 345 Cb 0.56 0.58 -0.16 0.00 -1.01 0.00 0.00 64.21 64.18 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 1.41 1.93 0.27 0.00 -1.09 -0.53 -1.69 121.20 121.51 3i26 s ILE 347 Ca -0.05 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.36 3i26 s ILE 347 Cb -0.12 -1.71 -0.00 0.00 -1.58 0.00 0.00 42.46 39.05 3i26 s ILE 347 CO -0.04 0.53 0.46 -0.94 -1.23 0.00 0.00 174.94 173.71 3i26 s SER 348 N 0.71 0.21 0.62 3.58 1.04 -0.73 -1.88 113.70 117.25 3i26 s SER 348 Ca -0.10 -1.14 0.41 0.00 0.48 0.00 0.00 55.95 55.60 3i26 s SER 348 Cb -0.16 0.60 2.09 0.00 0.10 0.00 0.00 66.02 68.65 3i26 s SER 348 CO 0.01 -1.18 2.24 -0.65 0.98 0.00 0.00 173.24 174.64 3i26 h PRO 349 N 2.24 0.00 0.00 4.02 0.11 -1.78 -0.90 132.00 135.69 3i26 h PRO 349 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 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 0.38 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 180.05 3i26 h GLN 350 N 0.00 0.00 0.00 1.05 7.50 -1.92 -3.46 115.11 118.27 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 0.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.68 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 1.21 0.43 3.75 3.46 0.00 -0.34 -3.60 105.19 110.09 3i26 n GLY 351 Ca 0.04 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 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 5.42 0.09 1.61 1.04 -0.68 -1.77 113.70 115.40 3i26 s SER 352 Ca 0.00 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.46 3i26 s SER 352 Cb 0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.65 3i26 s SER 352 CO 0.00 0.20 -0.12 0.42 0.98 0.00 0.00 173.24 174.72 3i26 s THR 353 N -1.32 1.06 1.03 2.02 -4.23 -0.68 -0.98 115.64 112.55 3i26 s THR 353 Ca 0.27 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 3i26 s THR 353 Cb -0.12 -1.29 0.21 0.00 1.34 0.00 0.00 72.50 72.64 3i26 s THR 353 CO 0.19 -0.43 1.20 -2.16 -0.54 0.00 0.00 174.62 172.88 3i26 s PRO 354 N -2.43 0.12 0.09 3.99 0.04 -1.23 0.13 135.00 135.70 3i26 s PRO 354 Ca 0.04 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.67 3i26 s PRO 354 Cb -0.06 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 3i26 s PRO 354 CO 0.01 -2.81 1.61 -1.17 0.04 0.00 0.00 177.00 174.68 3i26 s LEU 355 N -6.30 4.36 0.24 -3.56 2.96 -1.26 -4.56 118.68 110.56 3i26 s LEU 355 Ca 0.70 2.48 -0.20 0.00 -0.22 0.00 0.00 54.13 56.89 3i26 s LEU 355 Cb -0.09 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.06 3i26 s LEU 355 CO 0.54 -0.85 0.64 0.00 -1.32 0.00 0.00 176.35 175.36 3i26 s ALA 356 N 2.25 -1.17 -0.08 5.97 0.00 -1.26 -4.86 121.76 122.60 3i26 s ALA 356 Ca 0.72 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 3i26 s ALA 356 Cb -0.40 0.88 -0.29 0.00 0.00 0.00 0.00 23.12 23.30 3i26 s ALA 356 CO 0.32 -0.93 0.76 -0.07 0.00 0.00 0.00 175.76 175.84 3i26 h LEU 357 N 2.06 0.38 -8.33 0.00 3.38 -1.93 -3.37 115.31 107.50 3i26 h LEU 357 Ca -0.24 -0.91 -0.56 0.00 0.09 0.00 0.00 57.88 56.26 3i26 h LEU 357 Cb 1.26 -0.12 -0.30 0.00 0.09 0.00 0.00 40.66 41.59 3i26 h LEU 357 CO 0.30 1.42 -0.84 -0.31 0.09 0.00 0.00 178.44 179.10 3i26 s TYR 358 N -2.42 1.62 -0.07 1.13 1.51 -1.26 -1.67 117.35 116.20 3i26 s TYR 358 Ca -0.16 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3i26 s TYR 358 Cb 0.02 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 3i26 s TYR 358 CO 0.79 -0.04 0.10 0.45 -1.11 0.00 0.00 175.55 175.74 3i26 s SER 359 N -0.38 5.94 0.00 2.29 0.15 0.26 -1.79 113.70 120.17 3i26 s SER 359 Ca 0.06 0.30 0.25 0.00 0.70 0.00 0.00 55.95 57.26 3i26 s SER 359 Cb -0.07 -1.81 1.12 0.00 -1.71 0.00 0.00 66.02 63.54 3i26 s SER 359 CO -0.00 0.35 1.80 0.35 1.20 0.00 0.00 173.24 176.94 3i26 n THR 360 N 1.70 0.28 -4.03 6.45 -2.24 -0.28 -1.49 114.28 114.68 3i26 n THR 360 Ca -0.17 0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 3i26 n THR 360 Cb 0.54 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.87 0.91 0.27 -0.78 -1.05 -1.26 -4.91 118.70 109.01 3i26 s GLU 361 Ca 0.15 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.45 3i26 s GLU 361 Cb 0.16 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 3i26 s GLU 361 CO 0.43 -0.28 1.36 1.41 0.95 0.00 0.00 175.26 179.13 3i26 s MET 362 N -3.96 4.33 -0.18 -4.83 -2.45 -1.26 -4.75 119.30 106.19 3i26 s MET 362 Ca 0.15 2.21 -0.03 0.00 -1.25 0.00 0.00 55.69 56.77 3i26 s MET 362 Cb 0.06 -3.12 -0.01 0.00 1.25 0.00 0.00 34.83 33.01 3i26 s MET 362 CO -0.04 -0.29 -0.07 0.42 1.05 0.00 0.00 175.02 176.10 3i26 s ILE 363 N -0.39 3.38 0.19 10.11 1.01 -1.26 -4.95 121.20 129.28 3i26 s ILE 363 Ca 0.55 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3i26 s ILE 363 Cb -0.40 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.60 3i26 s ILE 363 CO 0.45 0.46 0.18 -1.22 0.00 0.00 0.00 174.94 174.82 3i26 n TYR 364 N 4.21 -1.65 -4.10 3.97 4.01 -1.26 -5.08 117.16 117.26 3i26 n TYR 364 Ca -0.18 -0.77 -0.25 0.00 -0.16 0.00 0.00 57.90 56.54 3i26 n TYR 364 Cb 0.52 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.80 2.88 0.43 -0.72 2.02 -1.26 -4.21 118.70 115.04 3i26 s GLU 365 Ca 0.13 -0.92 -0.22 0.00 0.02 0.00 0.00 54.97 53.98 3i26 s GLU 365 Cb -0.01 -2.61 -0.10 0.00 0.10 0.00 0.00 34.13 31.51 3i26 s GLU 365 CO 0.09 0.46 0.99 -2.14 0.02 0.00 0.00 175.26 174.67 3i26 s PRO 366 N -3.26 4.16 0.09 0.39 0.02 -1.26 -4.79 135.00 130.35 3i26 s PRO 366 Ca 0.31 1.26 -0.06 0.00 0.02 0.00 0.00 61.00 62.53 3i26 s PRO 366 Cb -0.10 -2.29 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 3i26 s PRO 366 CO 0.23 -0.11 0.14 0.54 -0.33 0.00 0.00 177.00 177.47 3i26 s ASN 367 N -1.97 0.22 0.21 2.53 2.20 -1.26 -3.90 114.94 112.96 3i26 s ASN 367 Ca 0.61 -0.79 -0.14 0.00 -0.94 0.00 0.00 52.86 51.59 3i26 s ASN 367 Cb -0.14 0.31 0.01 0.00 -2.00 0.00 0.00 41.25 39.43 3i26 s ASN 367 CO 0.18 -0.71 0.46 -0.72 -2.94 0.00 0.00 177.10 173.37 3i26 s TYR 368 N -3.90 0.13 0.00 1.54 -0.85 -0.79 -4.98 117.35 108.51 3i26 s TYR 368 Ca 0.08 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.13 3i26 s TYR 368 Cb 0.06 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.64 3i26 s TYR 368 CO -0.09 -0.90 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 3i26 n GLY 369 N -0.33 -1.38 3.33 5.49 0.00 -1.26 -1.46 105.19 109.59 3i26 n GLY 369 Ca -0.07 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 5.37 -0.09 1.61 0.15 -0.22 -4.96 113.70 111.56 3i26 s SER 370 Ca 0.00 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.72 3i26 s SER 370 Cb 0.00 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 3i26 s SER 370 CO 0.00 -0.29 -0.02 0.00 1.20 0.00 0.00 173.24 174.13 3i26 s PRO 372 N -0.69 2.32 0.16 0.00 0.04 -1.26 -5.01 135.00 130.56 3i26 s PRO 372 Ca 0.11 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 3i26 s PRO 372 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3i26 s PRO 372 CO 0.02 -1.66 0.34 -0.65 0.04 0.00 0.00 177.00 175.10 3i26 s GLN 373 N -4.09 3.51 0.13 4.56 -0.21 -0.67 -4.60 119.66 118.30 3i26 s GLN 373 Ca 0.70 -0.34 -0.31 0.00 0.02 0.00 0.00 55.36 55.42 3i26 s GLN 373 Cb -0.25 -2.89 -0.09 0.00 1.00 0.00 0.00 33.01 30.78 3i26 s GLN 373 CO 0.45 0.46 1.53 0.12 -2.12 0.00 0.00 175.29 175.73 3i26 s PHE 374 N -1.76 3.03 0.41 0.91 5.99 -1.26 -0.57 117.98 124.73 3i26 s PHE 374 Ca 0.38 0.68 0.10 0.00 0.00 0.00 0.00 56.93 58.09 3i26 s PHE 374 Cb -0.12 -3.86 0.91 0.00 0.00 0.00 0.00 43.02 39.96 3i26 s PHE 374 CO 0.28 -3.17 2.01 0.10 -0.00 0.00 0.00 175.22 174.44 3i26 h TYR 375 N 7.02 0.52 0.00 10.12 -0.00 -1.60 -2.46 116.97 130.57 3i26 h TYR 375 Ca -0.42 0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.28 3i26 h TYR 375 Cb 1.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 3i26 h TYR 375 CO 0.67 0.29 -0.20 0.87 -0.00 0.00 0.00 178.16 179.79 3i26 h LYS 376 N 0.53 0.00 -0.00 0.10 1.57 -1.90 -2.39 116.57 114.48 3i26 h LYS 376 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3i26 h LYS 376 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i26 h LYS 376 CO -0.07 0.20 0.01 -0.07 -0.57 0.00 0.00 179.45 178.95 3i26 h LEU 377 N 0.00 0.00 -2.97 2.94 3.38 -1.83 -2.70 115.31 114.14 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 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 -3.34 0.41 -2.17 1.13 3.01 -0.90 -5.02 117.46 110.58 3i26 n PHE 378 Ca -0.03 -0.58 -0.41 0.00 1.01 0.00 0.00 57.45 57.44 3i26 n PHE 378 Cb 0.08 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.22 6.84 -0.25 4.37 2.15 -1.02 -4.94 116.67 122.59 3i26 s ASP 379 Ca 0.21 2.47 0.09 0.00 0.43 0.00 0.00 52.55 55.75 3i26 s ASP 379 Cb 0.13 -2.61 0.45 0.00 -0.30 0.00 0.00 42.92 40.59 3i26 s ASP 379 CO 0.11 -0.57 1.28 0.35 -0.17 0.00 0.00 175.17 176.18 3i26 n THR 380 N 2.52 2.38 -0.01 1.71 -2.24 -1.26 -4.88 114.28 112.50 3i26 n THR 380 Ca 0.06 -3.33 -0.17 0.00 -2.27 0.00 0.00 64.05 58.34 3i26 n THR 380 Cb 0.42 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.11 3i26 n THR 380 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3i26 h SER 381 N 1.25 0.65 -2.93 3.42 0.02 -2.00 -3.48 113.55 110.48 3i26 h SER 381 Ca 0.13 -0.68 -0.65 0.00 -0.84 0.00 0.00 61.79 59.75 3i26 h SER 381 Cb 1.24 -0.20 -0.16 0.00 0.14 0.00 0.00 62.40 63.43 3i26 h SER 381 CO 0.26 1.24 0.36 -0.83 -1.14 0.00 0.00 176.83 176.72 3i26 s GLY 382 N -4.02 1.54 0.04 -3.77 0.00 -1.26 -5.01 107.32 94.85 3i26 s GLY 382 Ca -0.12 -1.79 0.28 0.00 0.00 0.00 0.00 44.72 43.09 3i26 s GLY 382 CO 0.84 1.84 1.85 0.70 0.00 0.00 0.00 173.10 178.33 3i26 n ASN 383 N 7.06 0.20 -0.20 1.64 3.02 -1.26 -5.25 115.26 120.48 3i26 n ASN 383 Ca -0.05 0.45 0.15 0.00 -0.03 0.00 0.00 54.58 55.11 3i26 n ASN 383 Cb 0.45 -0.49 0.78 0.00 -0.61 0.00 0.00 39.78 39.91 3i26 n ASN 383 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02