#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6l s SER 2 N 0.00 6.60 0.25 1.61 1.04 -1.26 -3.01 113.70 118.93 3i6l s SER 2 Ca 0.00 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.44 3i6l s SER 2 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 3i6l s SER 2 CO 0.00 -0.18 0.02 -1.00 0.98 0.00 0.00 173.24 173.07 3i6l s HIS 3 N -1.99 1.62 0.03 5.02 0.09 -0.17 -4.96 115.29 114.93 3i6l s HIS 3 Ca 0.49 -0.97 -0.05 0.00 -0.00 0.00 0.00 55.06 54.52 3i6l s HIS 3 Cb -0.11 -0.97 -0.01 0.00 -0.00 0.00 0.00 32.58 31.50 3i6l s HIS 3 CO 0.24 -0.08 0.09 -1.54 -0.00 0.00 0.00 174.74 173.45 3i6l s SER 4 N -3.34 0.14 -0.07 1.40 1.04 -1.26 -1.09 113.70 110.53 3i6l s SER 4 Ca 0.31 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.34 3i6l s SER 4 Cb 0.07 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.39 3i6l s SER 4 CO 0.11 -0.44 -0.16 -0.32 0.98 0.00 0.00 173.24 173.40 3i6l s MET 5 N -2.11 2.01 0.03 4.02 -2.45 -0.39 -0.96 119.30 119.45 3i6l s MET 5 Ca -0.09 -0.57 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 3i6l s MET 5 Cb -0.04 -1.64 -0.02 0.00 1.25 0.00 0.00 34.83 34.38 3i6l s MET 5 CO -0.02 0.12 -0.16 1.03 1.05 0.00 0.00 175.02 177.04 3i6l s ARG 6 N 0.41 1.07 -0.10 4.11 1.81 -0.36 -1.75 118.95 124.14 3i6l s ARG 6 Ca -0.12 -0.77 0.03 0.00 -1.72 0.00 0.00 55.73 53.15 3i6l s ARG 6 Cb -0.15 -1.10 -0.01 0.00 -0.45 0.00 0.00 34.95 33.24 3i6l s ARG 6 CO 0.04 0.28 -0.21 0.71 -0.68 0.00 0.00 175.30 175.45 3i6l s TYR 7 N -0.78 2.62 -0.01 -0.53 2.02 0.15 -0.19 117.35 120.63 3i6l s TYR 7 Ca 0.03 -0.85 0.08 0.00 -0.37 0.00 0.00 57.07 55.97 3i6l s TYR 7 Cb -0.08 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3i6l s TYR 7 CO 0.01 -0.30 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.38 3i6l s PHE 8 N 0.22 2.36 -0.00 2.71 0.08 0.05 -1.85 117.98 121.55 3i6l s PHE 8 Ca -0.13 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 3i6l s PHE 8 Cb -0.16 -1.49 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3i6l s PHE 8 CO 0.07 0.01 0.06 -1.54 -0.10 0.00 0.00 175.22 173.72 3i6l s SER 9 N -0.74 0.06 -0.05 1.36 1.04 -0.52 -0.62 113.70 114.23 3i6l s SER 9 Ca 0.11 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3i6l s SER 9 Cb -0.10 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3i6l s SER 9 CO -0.00 -0.23 -0.02 -0.89 0.98 0.00 0.00 173.24 173.07 3i6l s THR 10 N -0.93 0.43 -0.09 2.02 2.01 -0.18 -1.31 115.64 117.59 3i6l s THR 10 Ca -0.10 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.91 3i6l s THR 10 Cb -0.06 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 3i6l s THR 10 CO 0.00 0.22 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.57 3i6l s SER 11 N 1.29 3.90 -0.07 3.53 0.01 -0.42 -1.42 113.70 120.51 3i6l s SER 11 Ca -0.05 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3i6l s SER 11 Cb -0.13 -1.25 0.02 0.00 0.21 0.00 0.00 66.02 64.86 3i6l s SER 11 CO -0.02 0.24 -0.07 -0.69 0.41 0.00 0.00 173.24 173.11 3i6l s VAL 12 N -0.10 0.82 0.29 3.43 1.01 -0.63 -1.15 120.40 124.08 3i6l s VAL 12 Ca -0.02 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3i6l s VAL 12 Cb -0.14 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 3i6l s VAL 12 CO 0.04 0.31 1.10 -0.94 0.00 0.00 0.00 175.10 175.60 3i6l s SER 13 N 1.19 7.20 -0.67 3.32 1.04 -0.00 -1.25 113.70 124.52 3i6l s SER 13 Ca -0.06 2.25 0.05 0.00 0.48 0.00 0.00 55.95 58.68 3i6l s SER 13 Cb -0.14 -2.62 0.24 0.00 0.10 0.00 0.00 66.02 63.60 3i6l s SER 13 CO -0.02 -0.19 0.76 0.54 0.98 0.00 0.00 173.24 175.31 3i6l n ARG 14 N 1.04 2.57 -1.69 4.02 1.74 -1.26 -4.19 116.66 118.89 3i6l n ARG 14 Ca -0.00 -4.65 -0.44 0.00 -0.77 0.00 0.00 57.85 51.98 3i6l n ARG 14 Cb 0.45 -2.28 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 3i6l n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3i6l n PRO 15 N 0.99 2.49 0.00 5.56 -0.02 -1.26 -1.17 135.00 141.59 3i6l n PRO 15 Ca 0.29 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 3i6l n PRO 15 Cb 0.40 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3i6l n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6l n GLY 16 N 3.98 2.77 0.28 -1.23 0.00 -1.26 -4.76 105.19 104.96 3i6l n GLY 16 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3i6l n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6l n ARG 17 N -2.00 1.97 0.00 1.61 1.74 -0.32 -5.10 116.66 114.56 3i6l n ARG 17 Ca 0.00 -2.47 0.00 0.00 -0.77 0.00 0.00 57.85 54.61 3i6l n ARG 17 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3i6l n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6l n GLY 18 N -1.00 0.57 3.92 -0.13 0.00 -1.04 -4.97 105.19 102.54 3i6l n GLY 18 Ca 0.15 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 3i6l n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6l s GLU 19 N -0.86 3.37 0.39 1.61 0.41 -1.26 -4.39 118.70 117.98 3i6l s GLU 19 Ca 0.00 0.05 -0.26 0.00 -0.41 0.00 0.00 54.97 54.34 3i6l s GLU 19 Cb 0.00 -2.40 -0.11 0.00 -1.78 0.00 0.00 34.13 29.84 3i6l s GLU 19 CO 0.00 -0.27 1.27 -2.30 -0.49 0.00 0.00 175.26 173.47 3i6l n PRO 20 N -2.26 2.00 -3.35 0.39 -0.02 -1.26 -4.52 135.00 125.98 3i6l n PRO 20 Ca 0.01 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 3i6l n PRO 20 Cb 0.56 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3i6l n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i6l s ARG 21 N -2.08 4.19 -0.11 -0.52 3.52 -0.38 -4.89 118.95 118.69 3i6l s ARG 21 Ca 0.59 0.50 0.03 0.00 -0.13 0.00 0.00 55.73 56.72 3i6l s ARG 21 Cb -0.53 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 29.52 3i6l s ARG 21 CO 0.60 0.40 -0.21 0.12 -0.81 0.00 0.00 175.30 175.40 3i6l s PHE 22 N -0.19 2.63 -0.07 5.12 5.36 -1.26 -1.60 117.98 127.97 3i6l s PHE 22 Ca 0.26 -0.91 -0.00 0.00 -0.96 0.00 0.00 56.93 55.31 3i6l s PHE 22 Cb -0.16 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 3i6l s PHE 22 CO 0.13 -0.35 -0.03 0.42 -1.46 0.00 0.00 175.22 173.93 3i6l s ILE 23 N 0.32 0.55 0.15 3.12 1.01 -0.51 -0.58 121.20 125.27 3i6l s ILE 23 Ca -0.16 -0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.56 3i6l s ILE 23 Cb -0.17 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3i6l s ILE 23 CO 0.08 0.27 -0.23 0.00 0.00 0.00 0.00 174.94 175.06 3i6l s ALA 24 N 1.57 2.53 -0.02 9.38 0.00 -0.13 -1.00 121.76 134.08 3i6l s ALA 24 Ca -0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 3i6l s ALA 24 Cb -0.13 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3i6l s ALA 24 CO -0.04 0.50 0.12 0.08 0.00 0.00 0.00 175.76 176.42 3i6l s VAL 25 N -1.34 0.04 -0.06 0.00 1.01 0.20 -0.82 120.40 119.43 3i6l s VAL 25 Ca 0.18 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3i6l s VAL 25 Cb -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3i6l s VAL 25 CO 0.09 -0.18 -0.21 -0.83 0.00 0.00 0.00 175.10 173.97 3i6l s GLY 26 N -0.57 1.13 0.06 4.51 0.00 -0.99 -0.77 107.32 110.68 3i6l s GLY 26 Ca -0.07 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.86 3i6l s GLY 26 CO 0.01 -0.47 -0.21 -0.19 0.00 0.00 0.00 173.10 172.24 3i6l s TYR 27 N 0.00 1.81 -0.26 1.90 1.51 0.74 -0.77 117.35 122.27 3i6l s TYR 27 Ca -0.06 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 3i6l s TYR 27 Cb -0.13 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.69 3i6l s TYR 27 CO 0.04 0.11 -0.06 0.08 -1.11 0.00 0.00 175.55 174.61 3i6l s VAL 28 N -0.87 2.75 0.00 0.71 1.01 -0.14 -1.22 120.40 122.63 3i6l s VAL 28 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.83 3i6l s VAL 28 Cb -0.09 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3i6l s VAL 28 CO 0.02 0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.68 3i6l n ASP 29 N 4.61 0.00 -2.04 3.32 8.00 -0.14 -1.94 116.55 128.37 3i6l n ASP 29 Ca -0.15 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.22 3i6l n ASP 29 Cb 0.45 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.80 3i6l n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i6l n ASP 30 N 4.53 4.32 -4.06 -2.24 8.00 -1.26 -4.88 116.55 120.95 3i6l n ASP 30 Ca 0.00 -3.30 -0.31 0.00 0.71 0.00 0.00 54.79 51.90 3i6l n ASP 30 Cb 0.00 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 3i6l n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i6l s THR 31 N -2.95 1.71 0.36 -3.53 2.01 -0.82 -5.01 115.64 107.40 3i6l s THR 31 Ca 0.53 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 3i6l s THR 31 Cb 0.43 -1.57 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 3i6l s THR 31 CO 0.12 0.48 0.98 -1.58 -0.69 0.00 0.00 174.62 173.93 3i6l s GLN 32 N 1.28 4.43 0.00 4.92 0.74 -1.26 -0.97 119.66 128.80 3i6l s GLN 32 Ca 0.02 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.80 3i6l s GLN 32 Cb -0.14 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.31 3i6l s GLN 32 CO -0.09 0.12 0.00 1.97 -0.55 0.00 0.00 175.29 176.75 3i6l n PHE 33 N 0.26 0.00 -4.06 1.67 -1.74 0.05 -4.08 117.46 109.56 3i6l n PHE 33 Ca 0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.85 3i6l n PHE 33 Cb 0.50 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 3i6l n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3i6l s VAL 34 N -0.76 0.19 0.00 1.97 -7.23 -1.23 0.12 120.40 113.47 3i6l s VAL 34 Ca 0.00 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 3i6l s VAL 34 Cb 0.00 -1.56 0.04 0.00 0.56 0.00 0.00 36.38 35.42 3i6l s VAL 34 CO 0.00 -0.87 0.46 0.00 -0.31 0.00 0.00 175.10 174.38 3i6l s ARG 35 N -3.93 0.89 -0.03 4.82 1.04 -0.48 -2.34 118.95 118.92 3i6l s ARG 35 Ca 0.09 -0.13 -0.01 0.00 -1.04 0.00 0.00 55.73 54.64 3i6l s ARG 35 Cb 0.07 0.40 0.03 0.00 -2.04 0.00 0.00 34.95 33.42 3i6l s ARG 35 CO -0.09 -0.28 0.04 0.12 -0.04 0.00 0.00 175.30 175.05 3i6l s PHE 36 N -1.78 0.03 -0.22 5.89 2.19 -0.00 -0.91 117.98 123.18 3i6l s PHE 36 Ca -0.09 0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.35 3i6l s PHE 36 Cb -0.02 -0.29 0.05 0.00 -1.31 0.00 0.00 43.02 41.44 3i6l s PHE 36 CO 0.03 -0.12 -0.09 0.34 1.83 0.00 0.00 175.22 177.21 3i6l s ASP 37 N 1.36 3.66 0.57 6.13 2.15 -1.26 -0.95 116.67 128.33 3i6l s ASP 37 Ca -0.05 -1.03 0.27 0.00 0.43 0.00 0.00 52.55 52.17 3i6l s ASP 37 Cb -0.13 -1.27 1.50 0.00 -0.30 0.00 0.00 42.92 42.73 3i6l s ASP 37 CO -0.03 -0.17 2.00 0.77 -0.17 0.00 0.00 175.17 177.56 3i6l h SER 38 N 7.94 0.00 1.41 -0.34 4.64 -1.24 -2.10 113.55 123.86 3i6l h SER 38 Ca -0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 3i6l h SER 38 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3i6l h SER 38 CO 0.46 0.00 -0.44 0.44 -0.87 0.00 0.00 176.83 176.42 3i6l h ASP 39 N 0.00 0.00 -4.21 4.97 5.19 -1.94 -3.47 116.42 116.96 3i6l h ASP 39 Ca 0.19 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.08 3i6l h ASP 39 Cb 0.90 0.00 0.14 0.00 0.18 0.00 0.00 39.33 40.55 3i6l h ASP 39 CO -0.00 0.44 0.36 0.00 -3.12 0.00 0.00 179.24 176.92 3i6l s ALA 40 N -3.09 2.18 0.09 3.45 0.00 -0.79 -4.96 121.76 118.64 3i6l s ALA 40 Ca 0.03 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 3i6l s ALA 40 Cb 0.08 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 3i6l s ALA 40 CO 0.73 -1.76 1.26 0.00 0.00 0.00 0.00 175.76 175.99 3i6l h ALA 41 N -0.47 0.24 -0.83 0.00 0.00 -1.90 -3.30 119.26 113.01 3i6l h ALA 41 Ca -0.46 -0.62 0.20 0.00 0.00 0.00 0.00 54.91 54.03 3i6l h ALA 41 Cb 1.27 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 3i6l h ALA 41 CO 0.50 0.64 0.27 1.03 0.00 0.00 0.00 179.25 181.70 3i6l h SER 42 N 0.45 0.13 -2.35 0.00 0.87 -1.93 -3.46 113.55 107.27 3i6l h SER 42 Ca -0.07 0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 60.28 3i6l h SER 42 Cb 1.46 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.57 3i6l h SER 42 CO 0.17 -0.04 -0.45 1.67 -0.53 0.00 0.00 176.83 177.65 3i6l n GLN 43 N -5.12 -1.43 -4.17 2.24 -0.06 -1.24 -4.99 117.38 102.60 3i6l n GLN 43 Ca 0.19 0.92 -0.16 0.00 -2.00 0.00 0.00 57.00 55.94 3i6l n GLN 43 Cb 0.57 -5.40 -0.11 0.00 -4.06 0.00 0.00 30.24 21.24 3i6l n GLN 43 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3i6l s ARG 44 N -4.71 0.82 0.09 3.69 0.52 -1.26 -5.03 118.95 113.07 3i6l s ARG 44 Ca 0.00 -1.03 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 3i6l s ARG 44 Cb 0.00 -0.69 -0.09 0.00 0.52 0.00 0.00 34.95 34.69 3i6l s ARG 44 CO 0.00 0.14 1.67 1.41 0.02 0.00 0.00 175.30 178.54 3i6l s MET 45 N -2.17 4.19 0.00 3.54 -2.45 -1.26 -4.68 119.30 116.47 3i6l s MET 45 Ca 0.01 2.38 0.06 0.00 -1.25 0.00 0.00 55.69 56.89 3i6l s MET 45 Cb -0.07 -3.54 -0.03 0.00 1.25 0.00 0.00 34.83 32.44 3i6l s MET 45 CO 0.02 -0.74 -0.18 -1.21 1.05 0.00 0.00 175.02 173.95 3i6l s GLU 46 N 2.47 2.20 0.36 4.11 2.02 -0.09 -4.89 118.70 124.89 3i6l s GLU 46 Ca 0.75 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 3i6l s GLU 46 Cb -0.41 -2.22 -0.10 0.00 0.10 0.00 0.00 34.13 31.50 3i6l s GLU 46 CO 0.33 0.57 1.35 -1.25 0.02 0.00 0.00 175.26 176.27 3i6l s PRO 47 N -1.10 4.19 0.00 0.39 0.04 -1.26 -1.38 135.00 135.88 3i6l s PRO 47 Ca 0.13 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3i6l s PRO 47 Cb -0.10 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3i6l s PRO 47 CO 0.03 -0.36 0.49 0.54 0.04 0.00 0.00 177.00 177.74 3i6l n ARG 48 N 0.53 0.26 -3.90 4.56 5.12 0.12 -4.87 116.66 118.47 3i6l n ARG 48 Ca 0.01 -0.53 -0.11 0.00 -1.93 0.00 0.00 57.85 55.29 3i6l n ARG 48 Cb 0.42 -0.55 -0.12 0.00 -1.16 0.00 0.00 32.46 31.05 3i6l n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6l s ALA 49 N -0.09 -0.11 0.41 7.54 0.00 -1.23 -4.56 121.76 123.72 3i6l s ALA 49 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3i6l s ALA 49 Cb 0.00 0.03 0.85 0.00 0.00 0.00 0.00 23.12 24.00 3i6l s ALA 49 CO 0.00 -0.12 2.04 -1.35 0.00 0.00 0.00 175.76 176.33 3i6l h PRO 50 N 5.13 0.51 0.00 0.00 0.11 -1.95 -2.62 132.00 133.17 3i6l h PRO 50 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i6l h PRO 50 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i6l h PRO 50 CO 0.43 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 175.91 3i6l n TRP 51 N -4.45 0.00 0.05 0.65 4.27 -1.26 -2.86 117.44 113.84 3i6l n TRP 51 Ca 0.03 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.73 3i6l n TRP 51 Cb 0.09 -0.34 -0.07 0.00 -1.36 0.00 0.00 31.31 29.62 3i6l n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3i6l n ILE 52 N -1.34 0.52 0.09 -1.67 0.13 -0.99 -4.31 119.36 111.79 3i6l n ILE 52 Ca 0.12 -0.56 0.14 0.00 -1.10 0.00 0.00 62.75 61.35 3i6l n ILE 52 Cb 0.26 -0.28 0.64 0.00 -0.84 0.00 0.00 39.64 39.42 3i6l n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3i6l h GLU 53 N 0.00 0.05 0.00 9.51 5.08 -1.60 -1.79 114.58 125.84 3i6l h GLU 53 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i6l h GLU 53 Cb 1.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3i6l h GLU 53 CO 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3i6l n GLN 54 N -4.45 0.11 -2.26 2.33 10.64 -1.26 -4.75 117.38 117.74 3i6l n GLN 54 Ca 0.05 0.53 -0.42 0.00 -1.83 0.00 0.00 57.00 55.32 3i6l n GLN 54 Cb 0.37 -1.81 -0.03 0.00 -0.86 0.00 0.00 30.24 27.92 3i6l n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3i6l s GLU 55 N -3.34 4.35 1.08 2.61 0.41 -0.68 -5.00 118.70 118.14 3i6l s GLU 55 Ca 0.00 1.96 -0.12 0.00 -0.41 0.00 0.00 54.97 56.41 3i6l s GLU 55 Cb 0.06 -3.33 0.23 0.00 -1.78 0.00 0.00 34.13 29.31 3i6l s GLU 55 CO 0.21 -0.40 1.03 0.41 -0.49 0.00 0.00 175.26 176.02 3i6l n GLY 56 N 3.43 -1.45 0.32 -1.39 0.00 -1.26 -4.78 105.19 100.06 3i6l n GLY 56 Ca 0.11 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.30 3i6l n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i6l h PRO 57 N -2.39 0.00 -0.28 1.61 0.13 -1.97 -2.06 132.00 127.04 3i6l h PRO 57 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3i6l h PRO 57 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3i6l h PRO 57 CO 0.46 0.00 0.18 0.93 -0.23 0.00 0.00 178.00 179.33 3i6l h GLU 58 N 0.00 0.37 0.37 0.86 3.07 -1.99 -1.91 114.58 115.35 3i6l h GLU 58 Ca 0.04 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6l h GLU 58 Cb 0.23 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3i6l h GLU 58 CO -0.00 0.27 -0.36 -0.92 -1.40 0.00 0.00 179.01 176.60 3i6l h TYR 59 N 0.37 -0.98 -0.23 4.33 3.20 -1.70 -0.93 116.97 121.02 3i6l h TYR 59 Ca 0.10 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3i6l h TYR 59 Cb -0.01 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3i6l h TYR 59 CO -0.05 -0.51 0.17 -1.49 -1.64 0.00 0.00 178.16 174.64 3i6l h TRP 60 N -0.76 0.00 0.04 -3.82 4.06 -1.54 0.60 115.95 114.54 3i6l h TRP 60 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3i6l h TRP 60 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 3i6l h TRP 60 CO -0.20 0.00 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.22 3i6l h ASP 61 N 0.00 -0.05 0.11 -3.49 3.32 -1.08 -2.54 116.42 112.69 3i6l h ASP 61 Ca 0.11 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3i6l h ASP 61 Cb 0.44 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3i6l h ASP 61 CO -0.00 0.61 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.74 3i6l h GLU 62 N -0.74 -0.15 -0.74 3.56 5.08 -0.69 -1.05 114.58 119.86 3i6l h GLU 62 Ca -0.01 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3i6l h GLU 62 Cb 0.64 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 3i6l h GLU 62 CO 0.01 -0.06 0.37 0.93 -1.00 0.00 0.00 179.01 179.25 3i6l h GLU 63 N -0.19 0.58 -0.07 2.33 4.39 -1.02 0.69 114.58 121.29 3i6l h GLU 63 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3i6l h GLU 63 Cb 0.15 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3i6l h GLU 63 CO 0.03 0.38 0.04 1.15 -1.16 0.00 0.00 179.01 179.45 3i6l h THR 64 N 0.60 1.06 -0.35 1.13 2.02 -1.29 -1.57 112.91 114.52 3i6l h THR 64 Ca 0.38 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.44 3i6l h THR 64 Cb 0.43 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3i6l h THR 64 CO -0.30 0.05 0.03 1.23 0.37 0.00 0.00 175.52 176.91 3i6l h GLY 65 N 0.04 0.37 0.98 2.16 0.00 -0.44 -0.67 103.07 105.50 3i6l h GLY 65 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3i6l h GLY 65 CO -0.00 -0.06 0.10 0.50 0.00 0.00 0.00 176.54 177.08 3i6l h LYS 66 N 0.14 0.80 -0.10 4.80 1.57 -0.75 -2.52 116.57 120.51 3i6l h LYS 66 Ca 0.17 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3i6l h LYS 66 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3i6l h LYS 66 CO -0.25 0.79 -0.73 -0.24 -0.57 0.00 0.00 179.45 178.45 3i6l h VAL 67 N 0.68 1.35 -0.65 0.50 3.04 -1.17 -2.10 116.25 117.90 3i6l h VAL 67 Ca 0.15 -2.08 -0.01 0.00 -1.01 0.00 0.00 66.70 63.75 3i6l h VAL 67 Cb 0.37 2.06 -0.03 0.00 -2.01 0.00 0.00 31.29 31.68 3i6l h VAL 67 CO 0.01 0.64 0.36 0.11 -1.01 0.00 0.00 177.57 177.67 3i6l h LYS 68 N 0.35 0.90 -0.27 4.17 1.57 -1.14 0.44 116.57 122.60 3i6l h LYS 68 Ca -0.03 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 3i6l h LYS 68 Cb 1.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3i6l h LYS 68 CO 0.13 0.68 -0.43 0.00 -0.57 0.00 0.00 179.45 179.27 3i6l h ALA 69 N 1.17 0.75 -0.67 3.86 0.00 -1.42 -2.36 119.26 120.60 3i6l h ALA 69 Ca 0.23 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3i6l h ALA 69 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3i6l h ALA 69 CO -0.04 0.66 0.25 1.25 0.00 0.00 0.00 179.25 181.37 3i6l h HIS 70 N 0.54 1.03 -0.38 0.00 -0.00 -1.20 -1.06 115.15 114.08 3i6l h HIS 70 Ca 0.04 -0.09 0.08 0.00 -0.00 0.00 0.00 60.37 60.40 3i6l h HIS 70 Cb 0.96 -0.31 -0.08 0.00 -0.00 0.00 0.00 27.41 27.99 3i6l h HIS 70 CO 0.04 0.82 -0.12 1.03 -0.00 0.00 0.00 177.93 179.70 3i6l h SER 71 N 0.95 -0.43 -0.14 3.26 0.87 -0.72 -1.11 113.55 116.21 3i6l h SER 71 Ca 0.22 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 3i6l h SER 71 Cb 0.24 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3i6l h SER 71 CO -0.01 -0.16 -0.48 1.56 -0.53 0.00 0.00 176.83 177.21 3i6l h GLN 72 N -0.04 0.71 -0.65 2.24 1.08 -1.33 -2.61 115.11 114.51 3i6l h GLN 72 Ca 0.19 -0.41 0.04 0.00 -1.45 0.00 0.00 58.65 57.02 3i6l h GLN 72 Cb 0.32 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 3i6l h GLN 72 CO -0.41 1.03 0.38 1.15 -0.95 0.00 0.00 178.83 180.03 3i6l h THR 73 N 0.56 1.02 0.00 -0.54 2.02 -1.03 -2.71 112.91 112.24 3i6l h THR 73 Ca 0.03 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3i6l h THR 73 Cb 1.04 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3i6l h THR 73 CO 0.10 0.13 -0.20 0.44 0.37 0.00 0.00 175.52 176.36 3i6l h ASP 74 N 0.73 0.00 -0.30 4.18 5.19 -1.05 0.91 116.42 126.07 3i6l h ASP 74 Ca 0.28 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.64 3i6l h ASP 74 Cb 0.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3i6l h ASP 74 CO -0.15 0.20 -0.02 -0.09 -3.12 0.00 0.00 179.24 176.07 3i6l h ARG 75 N 0.00 0.55 -0.22 3.56 2.43 -1.31 -1.38 114.38 118.01 3i6l h ARG 75 Ca -0.00 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 3i6l h ARG 75 Cb 0.74 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3i6l h ARG 75 CO 0.03 0.71 -0.36 1.49 -1.51 0.00 0.00 179.97 180.32 3i6l h GLU 76 N 0.34 0.47 -0.82 0.20 4.81 -1.13 -3.15 114.58 115.29 3i6l h GLU 76 Ca 0.08 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3i6l h GLU 76 Cb 0.47 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 3i6l h GLU 76 CO 0.02 0.77 0.54 -0.91 -0.73 0.00 0.00 179.01 178.69 3i6l h ASN 77 N 0.40 0.84 -0.83 1.04 2.35 -0.65 -1.36 115.58 117.38 3i6l h ASN 77 Ca 0.04 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3i6l h ASN 77 Cb 0.81 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 3i6l h ASN 77 CO 0.07 0.57 0.50 -0.07 -1.65 0.00 0.00 177.43 176.84 3i6l h LEU 78 N 0.97 0.99 -0.39 1.61 3.38 -1.21 -0.75 115.31 119.91 3i6l h LEU 78 Ca 0.34 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 3i6l h LEU 78 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i6l h LEU 78 CO -0.11 0.76 -0.37 0.03 0.09 0.00 0.00 178.44 178.84 3i6l h ARG 79 N 1.14 0.94 0.50 1.13 3.08 -1.30 -0.64 114.38 119.23 3i6l h ARG 79 Ca 0.30 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3i6l h ARG 79 Cb -0.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i6l h ARG 79 CO -0.06 1.15 -0.24 0.82 -1.07 0.00 0.00 179.97 180.57 3i6l h ILE 80 N 0.76 0.51 -0.72 2.04 2.04 -1.14 -2.31 117.51 118.69 3i6l h ILE 80 Ca 0.06 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.03 3i6l h ILE 80 Cb 0.97 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 3i6l h ILE 80 CO 0.09 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.56 3i6l h ALA 81 N -0.18 1.00 -0.58 1.87 0.00 -1.12 0.12 119.26 120.37 3i6l h ALA 81 Ca -0.07 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3i6l h ALA 81 Cb 0.52 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3i6l h ALA 81 CO 0.11 -0.14 0.17 -0.07 0.00 0.00 0.00 179.25 179.32 3i6l h LEU 82 N 0.50 0.10 0.09 0.00 3.38 -1.02 -2.17 115.31 116.20 3i6l h LEU 82 Ca 0.37 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 3i6l h LEU 82 Cb 0.49 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3i6l h LEU 82 CO -0.34 0.07 -0.04 0.03 0.09 0.00 0.00 178.44 178.25 3i6l h ARG 83 N 0.32 -0.11 -1.00 1.13 3.08 -0.71 -0.49 114.38 116.59 3i6l h ARG 83 Ca 0.30 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.55 3i6l h ARG 83 Cb 0.40 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.36 3i6l h ARG 83 CO -0.34 0.09 0.60 1.88 -1.07 0.00 0.00 179.97 181.13 3i6l h TYR 84 N -0.30 1.05 -0.00 3.04 0.05 -0.57 -1.76 116.97 118.48 3i6l h TYR 84 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3i6l h TYR 84 Cb 0.25 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3i6l h TYR 84 CO -0.01 0.19 -0.51 0.66 -1.05 0.00 0.00 178.16 177.44 3i6l n TYR 85 N -4.80 0.00 -3.98 4.88 4.01 -0.84 -4.90 117.16 111.53 3i6l n TYR 85 Ca 0.24 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.72 3i6l n TYR 85 Cb 0.61 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 3i6l n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i6l n ASN 86 N -1.02 -0.32 -4.85 7.72 4.05 -0.29 -4.99 115.26 115.56 3i6l n ASN 86 Ca 0.08 -1.02 -0.33 0.00 0.45 0.00 0.00 54.58 53.76 3i6l n ASN 86 Cb 0.36 -2.97 -0.06 0.00 1.23 0.00 0.00 39.78 38.34 3i6l n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3i6l s GLN 87 N -6.61 4.02 0.36 1.20 -0.21 -0.60 -5.04 119.66 112.77 3i6l s GLN 87 Ca 0.02 0.67 -0.28 0.00 0.02 0.00 0.00 55.36 55.79 3i6l s GLN 87 Cb -0.01 -2.49 -0.10 0.00 1.00 0.00 0.00 33.01 31.40 3i6l s GLN 87 CO 0.90 0.19 1.39 0.45 -2.12 0.00 0.00 175.29 176.09 3i6l s SER 88 N -2.21 6.53 0.00 5.90 0.15 -1.26 -4.86 113.70 117.95 3i6l s SER 88 Ca 0.52 2.85 0.11 0.00 0.70 0.00 0.00 55.95 60.14 3i6l s SER 88 Cb -0.11 -2.66 0.52 0.00 -1.71 0.00 0.00 66.02 62.06 3i6l s SER 88 CO 0.18 -0.72 1.33 -0.62 1.20 0.00 0.00 173.24 174.60 3i6l n GLU 89 N 0.57 0.06 0.24 5.44 1.02 -1.26 -2.56 120.64 124.16 3i6l n GLU 89 Ca 0.01 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 3i6l n GLU 89 Cb 0.41 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.80 3i6l n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i6l h ALA 90 N 2.45 0.99 -2.51 0.62 0.00 -1.99 -3.46 119.26 115.35 3i6l h ALA 90 Ca 0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 3i6l h ALA 90 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3i6l h ALA 90 CO 0.00 0.12 -0.05 0.20 0.00 0.00 0.00 179.25 179.52 3i6l s GLY 91 N -4.23 2.38 -0.10 0.00 0.00 -1.06 -4.86 107.32 99.44 3i6l s GLY 91 Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 3i6l s GLY 91 CO 0.61 0.08 0.40 -0.45 0.00 0.00 0.00 173.10 173.73 3i6l s SER 92 N -2.07 6.64 0.09 1.64 0.15 -1.26 -4.81 113.70 114.07 3i6l s SER 92 Ca 0.45 0.75 0.03 0.00 0.70 0.00 0.00 55.95 57.88 3i6l s SER 92 Cb -0.13 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 3i6l s SER 92 CO 0.20 0.13 -0.09 -1.00 1.20 0.00 0.00 173.24 173.68 3i6l s HIS 93 N 0.08 0.97 -0.05 3.44 3.76 -1.26 -4.94 115.29 117.29 3i6l s HIS 93 Ca 0.22 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3i6l s HIS 93 Cb -0.15 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.01 3i6l s HIS 93 CO 0.09 -0.05 -0.11 0.99 -0.85 0.00 0.00 174.74 174.82 3i6l s THR 94 N -2.58 0.99 -0.18 1.30 2.01 -1.26 -0.82 115.64 115.10 3i6l s THR 94 Ca 0.05 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 3i6l s THR 94 Cb -0.02 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 3i6l s THR 94 CO -0.01 0.31 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.90 3i6l s LEU 95 N 0.48 2.60 0.10 4.42 2.96 -0.30 0.09 118.68 129.04 3i6l s LEU 95 Ca -0.10 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 3i6l s LEU 95 Cb -0.13 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3i6l s LEU 95 CO 0.02 0.04 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.84 3i6l s GLN 96 N 1.09 1.93 0.00 1.98 -0.21 0.11 -1.31 119.66 123.26 3i6l s GLN 96 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.28 3i6l s GLN 96 Cb -0.14 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 3i6l s GLN 96 CO -0.03 0.50 -0.02 1.41 -2.12 0.00 0.00 175.29 175.03 3i6l s MET 97 N -2.09 0.13 -0.01 2.91 1.75 -0.43 -0.13 119.30 121.43 3i6l s MET 97 Ca 0.19 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.48 3i6l s MET 97 Cb -0.11 -0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.52 3i6l s MET 97 CO 0.11 0.01 -0.05 1.41 -0.65 0.00 0.00 175.02 175.85 3i6l s MET 98 N -0.34 0.52 0.09 4.11 0.00 0.31 -1.43 119.30 122.55 3i6l s MET 98 Ca -0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 55.69 55.41 3i6l s MET 98 Cb -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 34.83 34.28 3i6l s MET 98 CO -0.00 0.05 0.21 -0.59 0.00 0.00 0.00 175.02 174.69 3i6l s PHE 99 N 0.20 0.12 -5.00 4.11 -0.12 -0.77 -0.56 117.98 115.95 3i6l s PHE 99 Ca -0.02 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 3i6l s PHE 99 Cb -0.06 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.30 3i6l s PHE 99 CO -0.00 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 3i6l n GLY 100 N -0.02 -0.62 3.06 1.99 0.00 -0.84 -0.68 105.19 108.09 3i6l n GLY 100 Ca -0.15 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3i6l n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6l s ASP 102 N -2.48 4.31 0.12 0.00 1.01 -0.01 -1.27 116.67 118.36 3i6l s ASP 102 Ca 0.00 -0.18 0.06 0.00 0.71 0.00 0.00 52.55 53.14 3i6l s ASP 102 Cb 0.02 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 3i6l s ASP 102 CO -0.07 0.31 -0.15 0.68 0.21 0.00 0.00 175.17 176.15 3i6l s VAL 103 N -0.87 1.41 0.94 -1.27 -7.23 -0.25 -0.29 120.40 112.84 3i6l s VAL 103 Ca 0.14 -1.66 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 3i6l s VAL 103 Cb -0.11 -1.51 0.21 0.00 0.56 0.00 0.00 36.38 35.53 3i6l s VAL 103 CO 0.04 -0.33 1.29 -0.83 -0.31 0.00 0.00 175.10 174.95 3i6l s GLY 104 N -2.31 1.81 0.50 2.32 0.00 0.73 -1.00 107.32 109.37 3i6l s GLY 104 Ca 0.08 -1.43 0.21 0.00 0.00 0.00 0.00 44.72 43.58 3i6l s GLY 104 CO 0.04 -0.64 2.07 1.48 0.00 0.00 0.00 173.10 176.04 3i6l h SER 105 N -1.53 0.00 0.17 1.64 4.64 -1.88 0.15 113.55 116.74 3i6l h SER 105 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3i6l h SER 105 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i6l h SER 105 CO 0.33 0.12 -0.04 -0.90 -0.87 0.00 0.00 176.83 175.47 3i6l n ASP 106 N -4.03 0.52 0.00 4.97 5.75 -1.26 -4.81 116.55 117.69 3i6l n ASP 106 Ca -0.02 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 3i6l n ASP 106 Cb 0.21 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3i6l n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i6l n GLY 107 N 1.17 0.78 3.84 6.12 0.00 0.54 -5.06 105.19 112.57 3i6l n GLY 107 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3i6l n GLY 107 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i6l s ARG 108 N -0.57 4.05 0.16 1.61 1.70 -1.26 -4.68 118.95 119.97 3i6l s ARG 108 Ca 0.00 0.72 -0.32 0.00 -0.47 0.00 0.00 55.73 55.66 3i6l s ARG 108 Cb 0.00 -2.51 -0.11 0.00 -0.57 0.00 0.00 34.95 31.76 3i6l s ARG 108 CO 0.00 0.20 1.70 0.12 -1.08 0.00 0.00 175.30 176.24 3i6l s PHE 109 N -1.90 2.73 -0.02 5.89 5.36 -1.26 -0.19 117.98 128.59 3i6l s PHE 109 Ca 0.52 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.85 3i6l s PHE 109 Cb -0.11 -4.08 -0.04 0.00 -0.34 0.00 0.00 43.02 38.45 3i6l s PHE 109 CO 0.18 -4.16 0.02 1.28 -1.46 0.00 0.00 175.22 171.08 3i6l n LEU 110 N 4.52 0.00 -3.63 6.12 4.32 0.61 -4.87 117.00 124.06 3i6l n LEU 110 Ca 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.09 3i6l n LEU 110 Cb 0.37 0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 3i6l n LEU 110 CO 0.63 0.06 1.00 -0.60 -1.22 0.00 0.00 177.39 177.27 3i6l s ARG 111 N -2.09 0.25 0.07 3.23 6.06 -1.20 -4.95 118.95 120.32 3i6l s ARG 111 Ca -0.01 0.19 0.07 0.00 -2.50 0.00 0.00 55.73 53.48 3i6l s ARG 111 Cb 0.01 0.12 -0.03 0.00 0.06 0.00 0.00 34.95 35.11 3i6l s ARG 111 CO 0.11 -0.05 -0.19 0.20 -2.50 0.00 0.00 175.30 172.87 3i6l s GLY 112 N -0.36 1.11 0.02 8.12 0.00 -1.26 -0.83 107.32 114.13 3i6l s GLY 112 Ca 0.05 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.69 3i6l s GLY 112 CO -0.09 -1.08 -0.07 -0.19 0.00 0.00 0.00 173.10 171.67 3i6l s TYR 113 N -1.00 0.62 -0.29 1.90 2.02 -0.33 -4.80 117.35 115.47 3i6l s TYR 113 Ca 0.06 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 3i6l s TYR 113 Cb -0.09 -0.38 0.19 0.00 -0.40 0.00 0.00 41.96 41.28 3i6l s TYR 113 CO 0.03 -0.05 0.55 -1.58 -1.57 0.00 0.00 175.55 172.93 3i6l s HIS 114 N -0.85 -1.67 0.03 2.71 2.46 -1.26 -1.98 115.29 114.73 3i6l s HIS 114 Ca -0.05 0.88 -0.05 0.00 0.47 0.00 0.00 55.06 56.32 3i6l s HIS 114 Cb -0.07 0.21 -0.01 0.00 -0.13 0.00 0.00 32.58 32.58 3i6l s HIS 114 CO 0.00 -1.07 0.08 1.14 -2.47 0.00 0.00 174.74 172.42 3i6l s GLN 115 N 2.72 0.54 0.09 2.88 -2.07 0.27 -1.12 119.66 122.98 3i6l s GLN 115 Ca 0.10 -0.72 0.10 0.00 -1.82 0.00 0.00 55.36 53.02 3i6l s GLN 115 Cb -0.10 0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 3i6l s GLN 115 CO -0.26 -0.13 -0.25 0.71 -1.32 0.00 0.00 175.29 174.04 3i6l s TYR 116 N -2.38 2.17 -0.03 9.60 2.02 -0.13 -0.53 117.35 128.07 3i6l s TYR 116 Ca -0.07 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3i6l s TYR 116 Cb -0.03 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 3i6l s TYR 116 CO -0.04 0.24 -0.11 0.00 -1.57 0.00 0.00 175.55 174.07 3i6l s ALA 117 N -0.98 0.99 -0.26 3.71 0.00 0.81 -1.28 121.76 124.75 3i6l s ALA 117 Ca 0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 3i6l s ALA 117 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3i6l s ALA 117 CO 0.04 0.18 0.02 -0.47 0.00 0.00 0.00 175.76 175.53 3i6l s TYR 118 N 0.11 3.08 -1.37 0.00 5.04 -0.02 0.06 117.35 124.25 3i6l s TYR 118 Ca -0.02 -1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 53.54 3i6l s TYR 118 Cb -0.09 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 40.05 3i6l s TYR 118 CO 0.01 -0.57 0.97 -0.25 -1.34 0.00 0.00 175.55 174.37 3i6l n ASP 119 N 4.82 -6.16 -0.19 4.32 8.00 0.11 -2.55 116.55 124.90 3i6l n ASP 119 Ca -0.16 -0.44 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 3i6l n ASP 119 Cb 0.49 -4.84 -0.01 0.00 -0.02 0.00 0.00 41.12 36.74 3i6l n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6l n GLY 120 N -1.82 0.58 3.09 0.44 0.00 -1.26 -5.01 105.19 101.20 3i6l n GLY 120 Ca -0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 3i6l n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6l s LYS 121 N -1.47 0.88 0.08 1.61 0.00 -1.06 -5.08 119.74 114.69 3i6l s LYS 121 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 55.97 55.05 3i6l s LYS 121 Cb 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 37.83 36.80 3i6l s LYS 121 CO 0.00 0.22 1.05 -0.25 0.00 0.00 0.00 175.35 176.38 3i6l n ASP 122 N 2.38 0.35 0.00 0.03 8.00 -1.26 -0.84 116.55 125.21 3i6l n ASP 122 Ca -0.16 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3i6l n ASP 122 Cb 0.56 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3i6l n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6l n TYR 123 N 1.46 0.00 -4.00 1.24 9.36 -0.40 -4.68 117.16 120.14 3i6l n TYR 123 Ca 0.18 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 3i6l n TYR 123 Cb 0.16 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.74 3i6l n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3i6l s ILE 124 N -0.83 0.22 -0.02 2.97 2.07 -1.24 -1.06 121.20 123.33 3i6l s ILE 124 Ca 0.00 -0.61 -0.00 0.00 -1.41 0.00 0.00 60.65 58.63 3i6l s ILE 124 Cb 0.00 -0.29 0.02 0.00 0.13 0.00 0.00 42.46 42.32 3i6l s ILE 124 CO 0.00 -0.25 0.03 0.00 -1.91 0.00 0.00 174.94 172.81 3i6l s ALA 125 N -0.87 0.01 0.12 1.50 0.00 -0.58 -0.96 121.76 120.98 3i6l s ALA 125 Ca -0.08 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.77 3i6l s ALA 125 Cb -0.06 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 3i6l s ALA 125 CO -0.00 -0.06 1.53 -1.17 0.00 0.00 0.00 175.76 176.06 3i6l s LEU 126 N 0.58 4.36 0.66 0.00 2.96 -0.28 -0.60 118.68 126.37 3i6l s LEU 126 Ca -0.05 2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 56.20 3i6l s LEU 126 Cb -0.07 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3i6l s LEU 126 CO -0.02 -0.79 1.07 -0.54 -1.32 0.00 0.00 176.35 174.75 3i6l s LYS 127 N 1.61 2.98 0.49 1.98 1.02 0.12 -4.62 119.74 123.32 3i6l s LYS 127 Ca 0.69 1.17 0.23 0.00 0.02 0.00 0.00 55.97 58.08 3i6l s LYS 127 Cb -0.40 -1.99 1.30 0.00 -0.52 0.00 0.00 37.83 36.22 3i6l s LYS 127 CO 0.31 -1.08 1.94 1.49 -0.92 0.00 0.00 175.35 177.09 3i6l h GLU 128 N -0.15 0.14 0.00 1.68 4.81 -1.87 0.10 114.58 119.30 3i6l h GLU 128 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3i6l h GLU 128 Cb 1.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3i6l h GLU 128 CO 0.56 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 3i6l n ASP 129 N -4.39 0.37 -1.65 1.04 5.68 -1.26 -4.79 116.55 111.54 3i6l n ASP 129 Ca 0.14 0.63 -0.19 0.00 -0.50 0.00 0.00 54.79 54.87 3i6l n ASP 129 Cb 0.67 -0.69 -0.06 0.00 -1.14 0.00 0.00 41.12 39.89 3i6l n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3i6l n LEU 130 N -1.95 -1.52 0.00 -2.12 4.77 0.36 -4.82 117.00 111.72 3i6l n LEU 130 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3i6l n LEU 130 Cb 0.11 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.54 3i6l n LEU 130 CO 0.11 -0.76 -0.31 0.54 -1.33 0.00 0.00 177.39 175.64 3i6l n ARG 131 N -2.56 2.16 -4.06 3.23 1.74 -1.26 -4.43 116.66 111.48 3i6l n ARG 131 Ca -0.20 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.78 3i6l n ARG 131 Cb 0.63 -0.79 -0.08 0.00 -1.02 0.00 0.00 32.46 31.20 3i6l n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i6l s SER 132 N -1.45 0.13 0.01 0.55 1.04 -1.26 -4.92 113.70 107.80 3i6l s SER 132 Ca 0.00 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.41 3i6l s SER 132 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3i6l s SER 132 CO 0.00 -0.86 -0.11 0.26 0.98 0.00 0.00 173.24 173.51 3i6l s TRP 133 N -4.03 2.75 -0.35 5.02 0.52 -1.26 0.10 118.94 121.70 3i6l s TRP 133 Ca 0.23 -0.13 -0.12 0.00 0.02 0.00 0.00 56.10 56.11 3i6l s TRP 133 Cb 0.05 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 3i6l s TRP 133 CO 0.03 0.31 0.21 0.99 0.02 0.00 0.00 176.95 178.51 3i6l s THR 134 N -0.94 4.88 -0.19 2.01 2.01 0.23 -4.89 115.64 118.75 3i6l s THR 134 Ca 0.16 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 3i6l s THR 134 Cb -0.11 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3i6l s THR 134 CO 0.06 -0.08 0.10 0.00 -0.69 0.00 0.00 174.62 174.02 3i6l s ALA 135 N 1.64 3.59 -0.40 7.40 0.00 -1.26 -1.53 121.76 131.19 3i6l s ALA 135 Ca 0.04 -0.71 0.23 0.00 0.00 0.00 0.00 51.96 51.53 3i6l s ALA 135 Cb -0.18 -2.07 0.26 0.00 0.00 0.00 0.00 23.12 21.13 3i6l s ALA 135 CO 0.08 0.18 1.44 0.00 0.00 0.00 0.00 175.76 177.46 3i6l h ALA 136 N 6.65 0.84 -2.75 0.00 0.00 -1.37 -3.46 119.26 119.18 3i6l h ALA 136 Ca -0.40 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3i6l h ALA 136 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i6l h ALA 136 CO 0.74 0.00 0.13 -0.40 0.00 0.00 0.00 179.25 179.72 3i6l n ASP 137 N -2.91 -1.33 -0.23 0.00 5.68 -1.26 -5.03 116.55 111.47 3i6l n ASP 137 Ca 0.03 -2.01 -0.07 0.00 -0.50 0.00 0.00 54.79 52.23 3i6l n ASP 137 Cb 0.53 2.24 0.03 0.00 -1.14 0.00 0.00 41.12 42.78 3i6l n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3i6l h MET 138 N 0.00 0.97 -0.32 0.11 2.86 -1.99 -0.42 114.93 116.13 3i6l h MET 138 Ca -0.20 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 3i6l h MET 138 Cb 0.76 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3i6l h MET 138 CO 0.26 0.84 0.14 0.00 1.06 0.00 0.00 176.91 179.20 3i6l h ALA 139 N 1.09 0.39 -0.14 6.32 0.00 -1.97 -2.13 119.26 122.81 3i6l h ALA 139 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3i6l h ALA 139 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i6l h ALA 139 CO -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 179.25 178.86 3i6l h ALA 140 N 1.18 1.51 -0.44 0.00 0.00 -1.79 -2.25 119.26 117.48 3i6l h ALA 140 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i6l h ALA 140 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i6l h ALA 140 CO -0.11 0.35 0.28 1.96 0.00 0.00 0.00 179.25 181.72 3i6l h GLN 141 N 0.21 0.58 -0.29 0.00 1.08 -0.43 0.34 115.11 116.60 3i6l h GLN 141 Ca 0.04 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 3i6l h GLN 141 Cb 0.38 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3i6l h GLN 141 CO 0.02 0.40 -0.19 0.82 -0.95 0.00 0.00 178.83 178.93 3i6l h ILE 142 N 0.60 1.30 -0.43 2.54 2.04 -0.98 -2.51 117.51 120.06 3i6l h ILE 142 Ca 0.16 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3i6l h ILE 142 Cb -0.04 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3i6l h ILE 142 CO -0.03 0.42 0.19 0.74 0.00 0.00 0.00 178.15 179.47 3i6l h THR 143 N 0.39 1.19 -0.69 -0.27 2.02 -1.16 -2.79 112.91 111.61 3i6l h THR 143 Ca 0.06 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3i6l h THR 143 Cb 0.73 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3i6l h THR 143 CO 0.05 0.21 0.36 0.50 0.37 0.00 0.00 175.52 177.02 3i6l h LYS 144 N 0.55 0.63 -0.58 6.66 3.64 -0.27 -0.87 116.57 126.33 3i6l h LYS 144 Ca 0.15 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3i6l h LYS 144 Cb 0.15 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3i6l h LYS 144 CO -0.02 0.42 -0.01 0.00 -2.27 0.00 0.00 179.45 177.57 3i6l h ARG 145 N 0.65 1.03 -0.47 1.90 3.08 -1.36 0.46 114.38 119.68 3i6l h ARG 145 Ca 0.32 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3i6l h ARG 145 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3i6l h ARG 145 CO -0.22 1.02 0.17 0.87 -1.07 0.00 0.00 179.97 180.75 3i6l h LYS 146 N 0.93 0.68 0.03 0.04 1.57 -1.19 -0.81 116.57 117.82 3i6l h LYS 146 Ca 0.16 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 3i6l h LYS 146 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3i6l h LYS 146 CO 0.03 0.57 -0.98 -1.49 -0.57 0.00 0.00 179.45 177.02 3i6l h TRP 147 N 0.67 0.33 -0.28 -1.35 4.06 -0.76 -2.18 115.95 116.44 3i6l h TRP 147 Ca 0.16 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 3i6l h TRP 147 Cb 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3i6l h TRP 147 CO 0.01 1.06 0.04 0.93 -3.56 0.00 0.00 178.44 176.92 3i6l h GLU 148 N 0.10 0.46 0.00 0.49 5.08 -0.75 -2.27 114.58 117.69 3i6l h GLU 148 Ca -0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3i6l h GLU 148 Cb 1.65 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 3i6l h GLU 148 CO 0.15 0.57 -0.15 0.00 -1.00 0.00 0.00 179.01 178.59 3i6l h ALA 149 N 0.87 1.33 -0.03 3.43 0.00 -1.14 -2.90 119.26 120.82 3i6l h ALA 149 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i6l h ALA 149 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i6l h ALA 149 CO 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 3i6l n ALA 150 N -2.32 2.62 -3.12 0.00 0.00 -0.82 -4.98 120.51 111.88 3i6l n ALA 150 Ca -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 3i6l n ALA 150 Cb 0.26 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 18.88 3i6l n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i6l n HIS 151 N 0.97 -2.08 -0.16 0.00 -0.00 -0.94 -4.90 115.22 108.12 3i6l n HIS 151 Ca 0.14 0.58 -0.11 0.00 -0.00 0.00 0.00 57.72 58.34 3i6l n HIS 151 Cb 0.54 -4.48 -0.00 0.00 -0.00 0.00 0.00 29.99 26.05 3i6l n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i6l h VAL 152 N -1.53 1.27 -0.95 1.59 2.07 -1.72 -2.51 116.25 114.47 3i6l h VAL 152 Ca -0.53 -1.24 0.27 0.00 0.82 0.00 0.00 66.70 66.02 3i6l h VAL 152 Cb 1.36 1.11 -0.14 0.00 -1.52 0.00 0.00 31.29 32.10 3i6l h VAL 152 CO 0.57 0.43 0.45 0.00 0.02 0.00 0.00 177.57 179.03 3i6l h ALA 153 N 0.88 1.65 -0.37 1.67 0.00 -1.90 -0.75 119.26 120.44 3i6l h ALA 153 Ca 0.12 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 3i6l h ALA 153 Cb 0.66 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3i6l h ALA 153 CO 0.05 -0.46 -0.24 0.93 0.00 0.00 0.00 179.25 179.52 3i6l h GLU 154 N 0.34 0.75 -0.40 0.00 5.08 -1.69 0.17 114.58 118.82 3i6l h GLU 154 Ca 0.64 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3i6l h GLU 154 Cb 1.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 3i6l h GLU 154 CO -0.59 0.92 0.12 1.96 -1.00 0.00 0.00 179.01 180.41 3i6l h GLN 155 N 0.65 0.63 -0.36 2.33 4.20 -1.15 -2.30 115.11 119.12 3i6l h GLN 155 Ca 0.09 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3i6l h GLN 155 Cb 0.75 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3i6l h GLN 155 CO 0.06 0.64 -0.10 1.96 -0.67 0.00 0.00 178.83 180.71 3i6l h GLN 156 N 0.51 0.70 -0.47 1.46 1.08 -1.05 -1.47 115.11 115.87 3i6l h GLN 156 Ca 0.13 -0.28 0.09 0.00 -1.45 0.00 0.00 58.65 57.14 3i6l h GLN 156 Cb 0.27 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.57 3i6l h GLN 156 CO -0.00 0.87 -0.27 -0.09 -0.95 0.00 0.00 178.83 178.39 3i6l h ARG 157 N 0.50 -0.16 -0.47 1.46 2.43 -0.66 0.20 114.38 117.67 3i6l h ARG 157 Ca 0.09 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3i6l h ARG 157 Cb 0.62 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3i6l h ARG 157 CO 0.04 -0.11 0.04 0.00 -1.51 0.00 0.00 179.97 178.43 3i6l h ALA 158 N 1.04 1.19 -0.10 2.80 0.00 -1.24 -0.39 119.26 122.55 3i6l h ALA 158 Ca 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3i6l h ALA 158 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i6l h ALA 158 CO -0.57 0.54 -0.08 -0.92 0.00 0.00 0.00 179.25 178.22 3i6l h TYR 159 N 0.71 0.28 -0.27 0.00 3.20 -0.84 -1.91 116.97 118.14 3i6l h TYR 159 Ca 0.15 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3i6l h TYR 159 Cb 0.38 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3i6l h TYR 159 CO 0.02 0.64 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.80 3i6l h LEU 160 N -0.16 0.58 0.00 2.82 3.38 -0.08 -0.98 115.31 120.87 3i6l h LEU 160 Ca 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3i6l h LEU 160 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i6l h LEU 160 CO 0.02 0.85 -0.58 -0.33 0.09 0.00 0.00 178.44 178.49 3i6l h GLU 161 N 0.48 0.00 0.00 1.13 5.08 -1.21 -3.31 114.58 116.74 3i6l h GLU 161 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i6l h GLU 161 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3i6l h GLU 161 CO 0.06 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 3i6l n GLY 162 N 1.18 -0.00 0.36 -3.84 0.00 -0.72 -4.54 105.19 97.63 3i6l n GLY 162 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3i6l n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i6l h THR 163 N 0.00 0.70 -0.07 2.61 2.02 -1.63 -1.48 112.91 115.06 3i6l h THR 163 Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3i6l h THR 163 Cb 0.00 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 3i6l h THR 163 CO 0.00 0.13 0.03 0.00 0.37 0.00 0.00 175.52 176.05 3i6l h VAL 165 N -0.05 1.27 -0.37 0.00 3.04 -1.52 -1.56 116.25 117.06 3i6l h VAL 165 Ca 0.02 -1.70 0.06 0.00 -1.01 0.00 0.00 66.70 64.07 3i6l h VAL 165 Cb 0.17 1.59 -0.06 0.00 -2.01 0.00 0.00 31.29 30.98 3i6l h VAL 165 CO -0.00 0.56 0.02 0.44 -1.01 0.00 0.00 177.57 177.58 3i6l h ASP 166 N 0.69 -0.10 0.20 3.17 3.32 -1.25 -1.27 116.42 121.18 3i6l h ASP 166 Ca 0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3i6l h ASP 166 Cb 1.13 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3i6l h ASP 166 CO 0.12 -0.02 -0.09 1.23 -1.72 0.00 0.00 179.24 178.76 3i6l h GLY 167 N 0.13 -0.27 -0.12 2.75 0.00 -0.77 -1.90 103.07 102.90 3i6l h GLY 167 Ca 0.18 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.74 3i6l h GLY 167 CO -0.28 -0.10 -0.07 -2.00 0.00 0.00 0.00 176.54 174.09 3i6l h LEU 168 N -0.44 -0.40 -0.55 3.11 5.85 -1.20 -0.20 115.31 121.47 3i6l h LEU 168 Ca -0.03 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3i6l h LEU 168 Cb 0.34 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3i6l h LEU 168 CO 0.04 -0.15 0.30 0.03 -0.34 0.00 0.00 178.44 178.32 3i6l h ARG 169 N 0.06 0.56 0.00 1.25 3.08 -1.19 -0.15 114.38 117.99 3i6l h ARG 169 Ca 0.30 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i6l h ARG 169 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3i6l h ARG 169 CO -0.56 0.37 -0.00 -0.09 -1.07 0.00 0.00 179.97 178.61 3i6l h ARG 170 N 0.58 -0.00 -0.93 0.04 2.43 -0.47 -2.63 114.38 113.40 3i6l h ARG 170 Ca 0.24 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3i6l h ARG 170 Cb 0.12 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3i6l h ARG 170 CO -0.15 0.08 0.60 1.88 -1.51 0.00 0.00 179.97 180.87 3i6l h TYR 171 N -0.09 1.11 -0.28 2.20 0.05 -0.90 -0.74 116.97 118.33 3i6l h TYR 171 Ca -0.00 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 3i6l h TYR 171 Cb 0.09 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 3i6l h TYR 171 CO -0.05 0.62 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.52 3i6l h LEU 172 N 1.13 0.44 0.02 3.88 3.38 -0.94 0.86 115.31 124.08 3i6l h LEU 172 Ca 0.38 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3i6l h LEU 172 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i6l h LEU 172 CO -0.14 0.57 -0.01 -0.08 0.09 0.00 0.00 178.44 178.87 3i6l h GLU 173 N 0.43 -0.02 -0.81 1.13 4.57 -1.07 -2.86 114.58 115.95 3i6l h GLU 173 Ca 0.09 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3i6l h GLU 173 Cb 0.42 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 3i6l h GLU 173 CO 0.02 0.74 0.53 -0.91 -1.18 0.00 0.00 179.01 178.21 3i6l h ASN 174 N -0.88 0.90 -1.07 1.04 2.35 -1.12 -2.65 115.58 114.16 3i6l h ASN 174 Ca -0.00 -0.02 -0.66 0.00 -0.55 0.00 0.00 56.30 55.07 3i6l h ASN 174 Cb 0.77 -0.22 -0.32 0.00 0.05 0.00 0.00 38.32 38.60 3i6l h ASN 174 CO 0.00 0.64 0.47 0.61 -1.65 0.00 0.00 177.43 177.51 3i6l n GLY 175 N -1.41 5.96 0.27 2.83 0.00 0.29 -4.77 105.19 108.36 3i6l n GLY 175 Ca 0.09 -2.42 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 3i6l n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i6l h LYS 176 N 2.16 0.92 0.00 1.61 3.64 -1.22 -0.45 116.57 123.23 3i6l h LYS 176 Ca 0.54 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 3i6l h LYS 176 Cb 0.89 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3i6l h LYS 176 CO 1.38 0.76 -0.05 0.93 -2.27 0.00 0.00 179.45 180.20 3i6l h GLU 177 N 0.87 0.00 0.00 1.90 3.07 -1.86 -2.67 114.58 115.89 3i6l h GLU 177 Ca 0.21 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.78 3i6l h GLU 177 Cb 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 3i6l h GLU 177 CO -0.02 0.05 -1.93 2.41 -1.40 0.00 0.00 179.01 178.12 3i6l n THR 178 N -3.69 1.08 0.09 1.13 -1.04 -1.14 -4.56 114.28 106.15 3i6l n THR 178 Ca -0.02 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.75 3i6l n THR 178 Cb 0.14 -1.79 0.25 0.00 -1.82 0.00 0.00 70.33 67.11 3i6l n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i6l h LEU 179 N -0.68 0.28 -0.52 -4.42 3.38 -1.17 -3.06 115.31 109.11 3i6l h LEU 179 Ca -0.44 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3i6l h LEU 179 Cb 1.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3i6l h LEU 179 CO -0.26 0.61 0.00 1.67 0.09 0.00 0.00 178.44 180.55 3i6l n GLN 180 N -4.08 1.35 -3.28 1.13 -0.06 -1.00 -4.87 117.38 106.57 3i6l n GLN 180 Ca -0.01 -0.52 -0.35 0.00 -2.00 0.00 0.00 57.00 54.12 3i6l n GLN 180 Cb 0.43 -1.44 -0.06 0.00 -4.06 0.00 0.00 30.24 25.12 3i6l n GLN 180 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 3i6l s ARG 181 N -1.96 4.02 -0.33 3.69 1.70 -1.16 -5.03 118.95 119.88 3i6l s ARG 181 Ca 0.39 0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 56.21 3i6l s ARG 181 Cb 0.19 -2.83 0.11 0.00 -0.57 0.00 0.00 34.95 31.85 3i6l s ARG 181 CO 0.31 0.40 0.13 -0.08 -1.08 0.00 0.00 175.30 174.98 3i6l s THR 182 N -1.58 0.82 -0.50 4.99 -1.32 -1.26 -4.63 115.64 112.16 3i6l s THR 182 Ca 0.42 -1.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.09 3i6l s THR 182 Cb -0.14 -1.61 0.02 0.00 -1.51 0.00 0.00 72.50 69.26 3i6l s THR 182 CO 0.20 -0.73 1.24 -1.81 -2.21 0.00 0.00 174.62 171.30 3i6l s ASP 183 N 1.45 6.48 0.75 8.08 1.01 0.82 -4.64 116.67 130.62 3i6l s ASP 183 Ca 0.11 0.44 -0.13 0.00 0.71 0.00 0.00 52.55 53.69 3i6l s ASP 183 Cb -0.19 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.24 3i6l s ASP 183 CO -0.21 -1.39 1.14 -2.16 0.21 0.00 0.00 175.17 172.76 3i6l s PRO 184 N 4.78 2.20 0.20 8.23 0.04 -1.26 -1.57 135.00 147.62 3i6l s PRO 184 Ca 0.50 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3i6l s PRO 184 Cb -0.09 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 3i6l s PRO 184 CO 0.30 -1.73 1.25 -1.25 0.04 0.00 0.00 177.00 175.61 3i6l s PRO 185 N -4.32 4.44 -0.34 0.56 0.04 -1.26 -4.34 135.00 129.78 3i6l s PRO 185 Ca 0.68 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 63.39 3i6l s PRO 185 Cb -0.22 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3i6l s PRO 185 CO 0.48 -0.16 1.08 0.15 0.04 0.00 0.00 177.00 178.59 3i6l s LYS 186 N -0.26 4.02 -0.03 4.56 1.02 0.42 -4.81 119.74 124.66 3i6l s LYS 186 Ca 0.54 1.00 0.01 0.00 0.02 0.00 0.00 55.97 57.54 3i6l s LYS 186 Cb -0.35 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 3i6l s LYS 186 CO 0.38 -0.96 -0.03 0.95 -0.92 0.00 0.00 175.35 174.77 3i6l s THR 187 N 3.75 3.96 0.12 2.17 -4.23 -1.26 -1.14 115.64 119.01 3i6l s THR 187 Ca 0.46 -0.56 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 3i6l s THR 187 Cb -0.12 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.07 3i6l s THR 187 CO 0.17 0.46 0.53 -1.38 -0.54 0.00 0.00 174.62 173.86 3i6l s HIS 188 N -0.98 -0.42 0.00 3.99 -3.43 -1.17 -4.98 115.29 108.30 3i6l s HIS 188 Ca 0.16 0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.67 3i6l s HIS 188 Cb -0.11 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 3i6l s HIS 188 CO 0.06 -0.76 0.03 1.41 -2.00 0.00 0.00 174.74 173.48 3i6l s MET 189 N -3.48 2.89 0.25 -0.38 1.75 -1.26 0.14 119.30 119.21 3i6l s MET 189 Ca 0.00 -0.57 0.11 0.00 -1.25 0.00 0.00 55.69 53.98 3i6l s MET 189 Cb 0.00 -2.74 -0.05 0.00 2.84 0.00 0.00 34.83 34.88 3i6l s MET 189 CO -0.10 0.63 -0.18 0.95 -0.65 0.00 0.00 175.02 175.66 3i6l s THR 190 N -1.13 2.23 -0.07 10.11 -4.23 0.32 -4.97 115.64 117.88 3i6l s THR 190 Ca 0.21 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3i6l s THR 190 Cb -0.12 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.55 3i6l s THR 190 CO 0.12 -0.44 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.39 3i6l s HIS 191 N -2.58 1.26 -0.24 3.99 2.46 -1.26 -1.09 115.29 117.83 3i6l s HIS 191 Ca 0.27 -0.49 -0.02 0.00 0.47 0.00 0.00 55.06 55.29 3i6l s HIS 191 Cb -0.04 -1.00 0.07 0.00 -0.13 0.00 0.00 32.58 31.48 3i6l s HIS 191 CO 0.12 -0.31 0.04 -1.01 -2.47 0.00 0.00 174.74 171.11 3i6l s HIS 192 N 1.02 1.46 0.09 3.88 3.76 -0.04 -4.99 115.29 120.46 3i6l s HIS 192 Ca -0.08 -1.28 -0.31 0.00 -0.15 0.00 0.00 55.06 53.24 3i6l s HIS 192 Cb -0.15 -1.33 -0.09 0.00 1.11 0.00 0.00 32.58 32.13 3i6l s HIS 192 CO -0.00 -0.72 1.70 -2.14 -0.85 0.00 0.00 174.74 172.72 3i6l s PRO 193 N 1.71 4.18 -0.03 8.40 0.02 -1.26 -0.39 135.00 147.64 3i6l s PRO 193 Ca 0.01 2.40 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 3i6l s PRO 193 Cb -0.17 -3.58 -0.01 0.00 0.02 0.00 0.00 34.50 30.76 3i6l s PRO 193 CO -0.13 -0.76 -0.03 -0.89 -0.33 0.00 0.00 177.00 174.86 3i6l n ILE 194 N 4.70 0.25 0.00 2.83 5.41 -0.74 -4.91 119.36 126.90 3i6l n ILE 194 Ca 0.16 0.45 0.00 0.00 1.00 0.00 0.00 62.75 64.36 3i6l n ILE 194 Cb 0.40 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 3i6l n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3i6l n SER 195 N -2.69 0.00 -0.04 4.38 3.41 -1.11 -5.03 113.62 112.54 3i6l n SER 195 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 3i6l n SER 195 Cb 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 3i6l n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i6l n ASP 196 N 0.00 2.05 -1.28 4.04 5.68 -1.26 -4.42 116.55 121.35 3i6l n ASP 196 Ca 0.00 0.20 0.08 0.00 -0.50 0.00 0.00 54.79 54.57 3i6l n ASP 196 Cb 0.00 -0.81 0.31 0.00 -1.14 0.00 0.00 41.12 39.48 3i6l n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i6l n HIS 197 N -3.66 1.30 -3.64 2.11 1.44 -1.26 -4.69 115.22 106.82 3i6l n HIS 197 Ca -0.36 -0.73 -0.14 0.00 -2.01 0.00 0.00 57.72 54.49 3i6l n HIS 197 Cb 0.97 -0.31 -0.06 0.00 0.12 0.00 0.00 29.99 30.70 3i6l n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3i6l s GLU 198 N -2.34 0.92 -0.03 -1.40 2.02 -1.26 -1.53 118.70 115.09 3i6l s GLU 198 Ca 0.45 -0.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.97 3i6l s GLU 198 Cb 0.33 0.42 0.06 0.00 0.10 0.00 0.00 34.13 35.03 3i6l s GLU 198 CO 0.15 -0.31 0.57 0.00 0.02 0.00 0.00 175.26 175.70 3i6l s ALA 199 N -2.08 -1.47 -0.18 5.21 0.00 -0.20 -1.79 121.76 121.25 3i6l s ALA 199 Ca -0.08 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 3i6l s ALA 199 Cb -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3i6l s ALA 199 CO 0.01 -0.36 0.39 0.99 0.00 0.00 0.00 175.76 176.79 3i6l s THR 200 N -1.36 5.22 -0.12 0.00 2.01 0.48 -0.13 115.64 121.74 3i6l s THR 200 Ca -0.11 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.46 3i6l s THR 200 Cb -0.01 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 3i6l s THR 200 CO 0.07 0.29 0.36 -0.76 -0.69 0.00 0.00 174.62 173.90 3i6l s LEU 201 N 1.00 4.29 -0.05 4.42 1.43 -0.72 -0.87 118.68 128.19 3i6l s LEU 201 Ca 0.20 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 3i6l s LEU 201 Cb -0.14 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3i6l s LEU 201 CO 0.07 0.11 -0.14 -0.60 0.23 0.00 0.00 176.35 176.03 3i6l s ARG 202 N 0.24 1.64 -0.21 1.70 3.52 -0.25 -1.61 118.95 123.96 3i6l s ARG 202 Ca 0.20 -0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.27 3i6l s ARG 202 Cb -0.14 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 3i6l s ARG 202 CO 0.07 0.13 0.01 0.00 -0.81 0.00 0.00 175.30 174.70 3i6l s TRP 204 N 1.22 3.34 -0.06 0.00 0.52 0.12 -2.08 118.94 122.00 3i6l s TRP 204 Ca 0.03 0.13 -0.01 0.00 0.02 0.00 0.00 56.10 56.28 3i6l s TRP 204 Cb -0.15 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3i6l s TRP 204 CO 0.01 0.54 -0.00 0.00 0.02 0.00 0.00 176.95 177.53 3i6l s ALA 205 N -1.52 0.65 0.09 0.98 0.00 -0.32 -3.02 121.76 118.62 3i6l s ALA 205 Ca 0.32 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3i6l s ALA 205 Cb -0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3i6l s ALA 205 CO 0.25 -0.37 -0.14 -0.51 0.00 0.00 0.00 175.76 174.98 3i6l s LEU 206 N 1.77 2.33 -1.53 0.00 1.43 -0.30 -1.70 118.68 120.69 3i6l s LEU 206 Ca 0.02 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3i6l s LEU 206 Cb -0.13 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.56 3i6l s LEU 206 CO -0.04 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3i6l n GLY 207 N 0.94 0.71 3.83 -3.19 0.00 -0.90 -0.43 105.19 106.15 3i6l n GLY 207 Ca -0.19 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3i6l n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i6l s PHE 208 N -2.69 3.63 -0.01 1.61 -0.71 -1.17 -4.66 117.98 113.99 3i6l s PHE 208 Ca 0.00 1.16 0.01 0.00 -1.04 0.00 0.00 56.93 57.06 3i6l s PHE 208 Cb 0.00 -2.44 0.00 0.00 -1.21 0.00 0.00 43.02 39.37 3i6l s PHE 208 CO 0.00 0.42 -0.02 -0.47 -1.34 0.00 0.00 175.22 173.81 3i6l s TYR 209 N -1.45 0.26 0.91 3.49 5.04 -0.61 -0.65 117.35 124.34 3i6l s TYR 209 Ca 0.38 -0.04 -0.14 0.00 -2.44 0.00 0.00 57.07 54.84 3i6l s TYR 209 Cb -0.16 -0.22 0.15 0.00 0.35 0.00 0.00 41.96 42.08 3i6l s TYR 209 CO 0.20 -0.03 1.20 -1.25 -1.34 0.00 0.00 175.55 174.33 3i6l s PRO 210 N 0.18 1.09 0.53 4.97 0.04 -1.26 -0.12 135.00 140.43 3i6l s PRO 210 Ca -0.02 -0.00 0.22 0.00 0.04 0.00 0.00 61.00 61.25 3i6l s PRO 210 Cb -0.04 -1.86 1.44 0.00 0.04 0.00 0.00 34.50 34.08 3i6l s PRO 210 CO -0.00 -2.18 2.14 0.00 0.04 0.00 0.00 177.00 177.00 3i6l h ALA 211 N -1.48 1.66 -2.80 8.56 0.00 -1.95 -3.44 119.26 119.81 3i6l h ALA 211 Ca -0.47 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 3i6l h ALA 211 Cb 1.30 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 19.16 3i6l h ALA 211 CO 0.54 0.07 0.82 -2.00 0.00 0.00 0.00 179.25 178.68 3i6l s GLU 212 N -4.69 4.18 -0.09 0.00 2.56 -1.26 -4.99 118.70 114.41 3i6l s GLU 212 Ca -0.04 2.46 -0.32 0.00 0.00 0.00 0.00 54.97 57.07 3i6l s GLU 212 Cb 0.15 -3.05 0.12 0.00 2.00 0.00 0.00 34.13 33.35 3i6l s GLU 212 CO 0.62 -0.53 1.03 -1.50 -0.56 0.00 0.00 175.26 174.33 3i6l s ILE 213 N -0.16 0.00 -0.05 -3.70 2.07 -1.26 -4.67 121.20 113.44 3i6l s ILE 213 Ca 0.60 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.87 3i6l s ILE 213 Cb -0.45 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.15 3i6l s ILE 213 CO 0.48 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.51 3i6l s THR 214 N -2.69 0.97 -0.06 4.00 2.01 -0.58 -5.00 115.64 114.29 3i6l s THR 214 Ca 0.06 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3i6l s THR 214 Cb -0.01 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.63 3i6l s THR 214 CO -0.07 0.31 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.26 3i6l s LEU 215 N 0.46 1.80 -0.02 4.42 1.43 -1.26 -1.23 118.68 124.28 3i6l s LEU 215 Ca -0.09 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3i6l s LEU 215 Cb -0.13 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.16 3i6l s LEU 215 CO 0.02 0.09 0.06 0.28 0.23 0.00 0.00 176.35 177.03 3i6l s THR 216 N 0.41 0.01 0.10 5.49 -1.32 -0.50 -4.98 115.64 114.85 3i6l s THR 216 Ca -0.11 -0.12 0.05 0.00 -1.21 0.00 0.00 61.69 60.30 3i6l s THR 216 Cb -0.14 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 3i6l s THR 216 CO 0.04 -0.06 0.02 0.26 -2.21 0.00 0.00 174.62 172.67 3i6l s TRP 217 N -0.17 3.02 0.01 9.09 0.52 -1.26 -0.38 118.94 129.76 3i6l s TRP 217 Ca -0.02 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.08 3i6l s TRP 217 Cb -0.02 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 3i6l s TRP 217 CO 0.00 0.49 -0.03 -0.65 0.02 0.00 0.00 176.95 176.79 3i6l s GLN 218 N -2.46 0.21 -0.30 4.98 -0.21 -0.58 -2.42 119.66 118.88 3i6l s GLN 218 Ca 0.27 -0.20 -0.10 0.00 0.02 0.00 0.00 55.36 55.34 3i6l s GLN 218 Cb -0.11 -0.13 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 3i6l s GLN 218 CO 0.19 0.03 0.17 0.50 -2.12 0.00 0.00 175.29 174.06 3i6l s ARG 219 N -0.37 3.55 -0.06 2.91 3.52 0.88 -1.51 118.95 127.87 3i6l s ARG 219 Ca -0.03 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 3i6l s ARG 219 Cb -0.03 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3i6l s ARG 219 CO -0.00 -0.33 0.07 -0.40 -0.81 0.00 0.00 175.30 173.82 3i6l n ASP 220 N 5.02 -0.54 0.00 -2.12 5.68 0.26 -0.99 116.55 123.86 3i6l n ASP 220 Ca -0.14 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 3i6l n ASP 220 Cb 0.50 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3i6l n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i6l n GLY 221 N -0.22 2.67 3.83 6.12 0.00 -1.26 -4.98 105.19 111.35 3i6l n GLY 221 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3i6l n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6l s GLU 222 N -0.02 4.06 0.51 1.61 0.41 -0.16 -5.05 118.70 120.05 3i6l s GLU 222 Ca 0.00 0.58 -0.21 0.00 -0.41 0.00 0.00 54.97 54.93 3i6l s GLU 222 Cb 0.00 -3.06 -0.07 0.00 -1.78 0.00 0.00 34.13 29.22 3i6l s GLU 222 CO 0.00 0.55 1.11 -0.51 -0.49 0.00 0.00 175.26 175.92 3i6l s ASP 223 N -1.46 6.01 -0.64 -0.19 1.11 -1.26 -0.08 116.67 120.15 3i6l s ASP 223 Ca 0.34 2.13 0.05 0.00 0.18 0.00 0.00 52.55 55.26 3i6l s ASP 223 Cb -0.17 -2.58 0.20 0.00 1.07 0.00 0.00 42.92 41.45 3i6l s ASP 223 CO 0.19 -1.02 0.58 0.00 1.18 0.00 0.00 175.17 176.09 3i6l n GLN 224 N -1.01 1.87 0.09 8.23 1.13 -1.02 -4.68 117.38 122.00 3i6l n GLN 224 Ca 0.10 -4.36 -0.05 0.00 -1.94 0.00 0.00 57.00 50.75 3i6l n GLN 224 Cb 0.51 -2.15 -0.00 0.00 0.11 0.00 0.00 30.24 28.70 3i6l n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i6l h THR 225 N 3.82 1.60 -0.01 5.09 2.02 -1.95 -3.36 112.91 120.12 3i6l h THR 225 Ca 0.17 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.46 3i6l h THR 225 Cb 0.74 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3i6l h THR 225 CO 0.71 0.83 -0.19 0.00 0.37 0.00 0.00 175.52 177.24 3i6l n GLN 226 N -3.53 2.14 -0.02 6.66 6.02 -1.26 -4.49 117.38 122.90 3i6l n GLN 226 Ca -0.00 -0.57 0.08 0.00 -0.01 0.00 0.00 57.00 56.49 3i6l n GLN 226 Cb 0.81 -1.06 0.08 0.00 1.02 0.00 0.00 30.24 31.09 3i6l n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i6l n ASP 227 N -0.28 2.36 -4.68 1.08 9.92 -1.26 -4.95 116.55 118.75 3i6l n ASP 227 Ca 0.04 -1.67 -0.39 0.00 -0.53 0.00 0.00 54.79 52.23 3i6l n ASP 227 Cb 0.19 -0.02 -0.06 0.00 -0.64 0.00 0.00 41.12 40.59 3i6l n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3i6l s THR 228 N -1.27 5.10 -0.19 -3.53 2.01 -1.26 -4.22 115.64 112.28 3i6l s THR 228 Ca 0.19 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 3i6l s THR 228 Cb 0.13 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3i6l s THR 228 CO 0.20 0.20 0.57 -0.70 -0.69 0.00 0.00 174.62 174.20 3i6l s GLU 229 N 1.43 4.22 -0.15 4.92 2.12 0.61 -4.92 118.70 126.93 3i6l s GLU 229 Ca 0.27 0.52 0.01 0.00 0.36 0.00 0.00 54.97 56.13 3i6l s GLU 229 Cb -0.16 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.70 3i6l s GLU 229 CO 0.11 -0.16 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.34 3i6l s LEU 230 N 1.65 1.79 0.53 2.70 2.96 -1.26 -0.38 118.68 126.68 3i6l s LEU 230 Ca 0.27 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3i6l s LEU 230 Cb -0.16 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.31 3i6l s LEU 230 CO 0.10 -0.03 0.79 0.68 -1.32 0.00 0.00 176.35 176.58 3i6l s VAL 231 N 1.32 3.54 0.45 1.68 -7.23 -0.97 -5.04 120.40 114.15 3i6l s VAL 231 Ca 0.02 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 3i6l s VAL 231 Cb -0.13 -3.36 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 3i6l s VAL 231 CO -0.09 -0.30 1.18 -1.61 -0.31 0.00 0.00 175.10 173.96 3i6l s GLU 232 N -4.79 3.79 0.06 4.82 2.02 -1.26 -4.66 118.70 118.68 3i6l s GLU 232 Ca 0.53 1.81 -0.30 0.00 0.02 0.00 0.00 54.97 57.02 3i6l s GLU 232 Cb -0.10 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 3i6l s GLU 232 CO 0.41 -0.53 1.80 0.99 0.02 0.00 0.00 175.26 177.95 3i6l s THR 233 N -1.51 2.96 0.12 3.63 2.01 -1.26 -4.81 115.64 116.79 3i6l s THR 233 Ca 0.62 0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.97 3i6l s THR 233 Cb -0.30 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3i6l s THR 233 CO 0.36 -0.01 -0.26 0.00 -0.69 0.00 0.00 174.62 174.02 3i6l s ARG 234 N 3.43 1.35 0.16 4.92 1.70 -0.83 -4.95 118.95 124.72 3i6l s ARG 234 Ca 0.80 -1.31 -0.27 0.00 -0.47 0.00 0.00 55.73 54.48 3i6l s ARG 234 Cb -0.42 -1.80 -0.08 0.00 -0.57 0.00 0.00 34.95 32.09 3i6l s ARG 234 CO 0.36 0.43 0.84 -1.25 -1.08 0.00 0.00 175.30 174.60 3i6l s PRO 235 N -2.03 4.65 0.53 3.89 0.04 -1.26 -1.04 135.00 139.78 3i6l s PRO 235 Ca 0.13 1.27 0.31 0.00 0.04 0.00 0.00 61.00 62.75 3i6l s PRO 235 Cb -0.10 -3.30 1.15 0.00 0.04 0.00 0.00 34.50 32.29 3i6l s PRO 235 CO 0.06 0.47 1.91 0.00 0.04 0.00 0.00 177.00 179.47 3i6l h ALA 236 N 4.64 1.00 0.00 8.56 0.00 -0.99 -3.47 119.26 129.00 3i6l h ALA 236 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i6l h ALA 236 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i6l h ALA 236 CO 0.68 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.34 3i6l n GLY 237 N 0.26 0.23 0.29 0.00 0.00 -1.26 -4.94 105.19 99.76 3i6l n GLY 237 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3i6l n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6l n ASP 238 N 0.00 2.52 0.00 1.61 5.75 -1.26 -4.94 116.55 120.24 3i6l n ASP 238 Ca 0.00 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 3i6l n ASP 238 Cb 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3i6l n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i6l n GLY 239 N -0.38 2.83 3.88 6.12 0.00 -1.26 -5.09 105.19 111.29 3i6l n GLY 239 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3i6l n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6l s THR 240 N -2.55 1.67 0.25 2.61 -4.23 -1.26 -4.81 115.64 107.33 3i6l s THR 240 Ca 0.00 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 3i6l s THR 240 Cb 0.00 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 3i6l s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 3i6l s PHE 241 N -2.76 1.75 0.03 3.99 0.40 0.17 -0.34 117.98 121.22 3i6l s PHE 241 Ca 0.32 -0.79 -0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3i6l s PHE 241 Cb -0.02 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 3i6l s PHE 241 CO 0.19 0.14 -0.01 -0.65 0.70 0.00 0.00 175.22 175.60 3i6l s GLN 242 N -3.78 0.46 -0.03 0.44 -0.21 -0.21 -2.11 119.66 114.21 3i6l s GLN 242 Ca 0.28 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 3i6l s GLN 242 Cb 0.04 0.16 0.08 0.00 1.00 0.00 0.00 33.01 34.30 3i6l s GLN 242 CO 0.10 -0.09 0.72 0.21 -2.12 0.00 0.00 175.29 174.11 3i6l s LYS 243 N -2.47 1.02 0.03 2.91 2.20 -0.69 -1.97 119.74 120.78 3i6l s LYS 243 Ca -0.06 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 3i6l s LYS 243 Cb -0.02 0.48 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 3i6l s LYS 243 CO -0.05 -0.34 0.06 1.67 -0.36 0.00 0.00 175.35 176.33 3i6l s TRP 244 N -1.60 0.23 -0.03 4.03 1.48 -1.26 -1.18 118.94 120.61 3i6l s TRP 244 Ca -0.08 -0.51 0.03 0.00 -1.06 0.00 0.00 56.10 54.48 3i6l s TRP 244 Cb -0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.14 3i6l s TRP 244 CO 0.05 -0.31 -0.11 0.00 -4.06 0.00 0.00 176.95 172.52 3i6l s ALA 245 N -2.26 1.06 0.06 2.67 0.00 -0.88 -2.30 121.76 120.11 3i6l s ALA 245 Ca -0.08 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.49 3i6l s ALA 245 Cb -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3i6l s ALA 245 CO -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 175.76 175.77 3i6l s ALA 246 N 0.16 1.09 0.02 0.00 0.00 0.49 -0.11 121.76 123.42 3i6l s ALA 246 Ca -0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3i6l s ALA 246 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3i6l s ALA 246 CO 0.01 0.15 -0.12 0.14 0.00 0.00 0.00 175.76 175.93 3i6l s VAL 247 N -1.22 0.98 0.07 0.00 -7.23 -0.64 -0.28 120.40 112.08 3i6l s VAL 247 Ca -0.02 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.09 3i6l s VAL 247 Cb -0.10 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.91 3i6l s VAL 247 CO 0.02 0.05 0.71 -0.69 -0.31 0.00 0.00 175.10 174.88 3i6l s VAL 248 N -0.69 4.68 -0.06 1.32 1.01 -1.26 -1.75 120.40 123.65 3i6l s VAL 248 Ca 0.01 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3i6l s VAL 248 Cb -0.07 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.27 3i6l s VAL 248 CO 0.01 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.72 3i6l s VAL 249 N -0.49 1.24 0.26 2.92 1.01 0.81 -4.98 120.40 121.17 3i6l s VAL 249 Ca 0.35 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3i6l s VAL 249 Cb -0.21 -1.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.97 3i6l s VAL 249 CO 0.22 0.37 1.57 -2.84 0.00 0.00 0.00 175.10 174.42 3i6l s PRO 250 N 0.39 4.17 0.14 2.72 0.02 -1.26 -1.03 135.00 140.14 3i6l s PRO 250 Ca -0.10 2.49 -0.35 0.00 0.02 0.00 0.00 61.00 63.06 3i6l s PRO 250 Cb -0.14 -3.06 -0.15 0.00 0.02 0.00 0.00 34.50 31.16 3i6l s PRO 250 CO 0.03 -0.59 1.38 0.45 -0.33 0.00 0.00 177.00 177.94 3i6l n SER 251 N 2.63 2.07 0.00 2.53 2.88 -0.58 -1.14 113.62 122.01 3i6l n SER 251 Ca 0.09 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 3i6l n SER 251 Cb 0.38 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3i6l n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i6l n GLY 252 N 2.62 0.72 0.54 0.46 0.00 -1.26 -4.92 105.19 103.35 3i6l n GLY 252 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3i6l n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i6l n GLU 253 N -2.49 2.33 0.25 1.61 1.02 -0.29 -4.75 120.64 118.32 3i6l n GLU 253 Ca 0.00 -2.63 0.10 0.00 -0.02 0.00 0.00 57.16 54.60 3i6l n GLU 253 Cb 0.00 -1.64 0.66 0.00 -0.02 0.00 0.00 31.44 30.44 3i6l n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3i6l h GLU 254 N 1.08 0.00 0.00 3.49 3.07 -1.92 -3.08 114.58 117.22 3i6l h GLU 254 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3i6l h GLU 254 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 3i6l h GLU 254 CO 0.12 0.11 -0.33 1.96 -1.40 0.00 0.00 179.01 179.46 3i6l h GLN 255 N 0.00 0.00 0.00 2.33 4.20 -1.86 -2.96 115.11 116.82 3i6l h GLN 255 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3i6l h GLN 255 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3i6l h GLN 255 CO 0.01 0.33 -0.07 0.00 -0.67 0.00 0.00 178.83 178.44 3i6l h ARG 256 N 0.00 0.00 -5.73 1.46 3.08 -1.92 -3.45 114.38 107.81 3i6l h ARG 256 Ca -0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.39 3i6l h ARG 256 Cb 0.86 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.84 3i6l h ARG 256 CO 0.04 0.07 -0.42 0.71 -1.07 0.00 0.00 179.97 179.30 3i6l s TYR 257 N -3.89 3.62 0.03 3.04 2.02 -1.12 0.93 117.35 121.98 3i6l s TYR 257 Ca -0.01 0.62 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 3i6l s TYR 257 Cb 0.11 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 3i6l s TYR 257 CO 0.54 0.71 -0.10 0.95 -1.57 0.00 0.00 175.55 176.08 3i6l s THR 258 N -1.06 0.78 -0.03 -0.71 -4.23 -0.57 -4.43 115.64 105.39 3i6l s THR 258 Ca 0.18 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3i6l s THR 258 Cb -0.13 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 3i6l s THR 258 CO 0.07 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 3i6l s HIS 260 N -1.03 1.50 -0.07 0.00 3.76 0.48 0.06 115.29 120.00 3i6l s HIS 260 Ca 0.18 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.65 3i6l s HIS 260 Cb -0.11 -1.03 0.02 0.00 1.11 0.00 0.00 32.58 32.57 3i6l s HIS 260 CO 0.08 -0.16 -0.03 0.08 -0.85 0.00 0.00 174.74 173.86 3i6l s VAL 261 N 0.13 0.54 -0.12 -0.90 1.01 -0.58 -1.42 120.40 119.07 3i6l s VAL 261 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3i6l s VAL 261 Cb -0.11 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3i6l s VAL 261 CO 0.02 0.26 -0.19 -1.10 0.00 0.00 0.00 175.10 174.10 3i6l s GLN 262 N 1.53 2.61 -0.06 2.72 -0.21 -0.36 -2.10 119.66 123.79 3i6l s GLN 262 Ca -0.01 -0.71 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 3i6l s GLN 262 Cb -0.13 -2.14 0.03 0.00 1.00 0.00 0.00 33.01 31.76 3i6l s GLN 262 CO -0.04 -0.03 0.34 -1.58 -2.12 0.00 0.00 175.29 171.87 3i6l s HIS 263 N 0.87 -0.27 -0.12 0.91 2.46 -1.26 -1.53 115.29 116.34 3i6l s HIS 263 Ca -0.08 0.53 0.25 0.00 0.47 0.00 0.00 55.06 56.23 3i6l s HIS 263 Cb -0.15 0.12 1.31 0.00 -0.13 0.00 0.00 32.58 33.72 3i6l s HIS 263 CO -0.01 -0.33 1.76 1.05 -2.47 0.00 0.00 174.74 174.74 3i6l h GLU 264 N 4.41 0.00 -0.00 2.88 4.11 -1.94 0.15 114.58 124.18 3i6l h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3i6l h GLU 264 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3i6l h GLU 264 CO 0.36 0.00 -0.06 0.41 0.07 0.00 0.00 179.01 179.79 3i6l n GLY 265 N -1.06 -1.20 3.39 1.06 0.00 -1.26 -4.77 105.19 101.34 3i6l n GLY 265 Ca -0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3i6l n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6l s LEU 266 N -2.62 4.69 0.38 0.99 1.43 0.51 -4.50 118.68 119.55 3i6l s LEU 266 Ca 0.26 -0.92 0.16 0.00 -1.03 0.00 0.00 54.13 52.60 3i6l s LEU 266 Cb 0.20 -2.04 1.05 0.00 0.03 0.00 0.00 46.19 45.43 3i6l s LEU 266 CO 0.49 -0.37 1.76 -0.65 0.23 0.00 0.00 176.35 177.81 3i6l h PRO 267 N 8.45 0.43 -3.30 1.29 0.11 -1.86 -3.42 132.00 133.70 3i6l h PRO 267 Ca -0.26 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 3i6l h PRO 267 Cb 1.11 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 31.90 3i6l h PRO 267 CO 0.67 0.28 -0.43 0.21 -0.21 0.00 0.00 178.00 178.52 3i6l s LYS 268 N -5.56 0.46 0.27 1.05 2.20 -1.26 -5.14 119.74 111.76 3i6l s LYS 268 Ca -0.09 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 3i6l s LYS 268 Cb 0.26 0.20 -0.12 0.00 -1.51 0.00 0.00 37.83 36.66 3i6l s LYS 268 CO 0.80 -0.11 1.58 -2.30 -0.36 0.00 0.00 175.35 174.96 3i6l n PRO 269 N 1.87 2.58 -2.90 4.03 -0.02 -1.26 -5.00 135.00 134.30 3i6l n PRO 269 Ca -0.19 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3i6l n PRO 269 Cb 0.56 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 3i6l n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i6l s LEU 270 N -0.18 4.23 -0.08 2.45 1.43 -0.89 -4.91 118.68 120.73 3i6l s LEU 270 Ca 0.66 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 55.46 3i6l s LEU 270 Cb -0.53 -4.02 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 3i6l s LEU 270 CO 0.47 -0.12 -0.24 -0.89 0.23 0.00 0.00 176.35 175.80 3i6l s THR 271 N -1.74 2.05 -0.02 5.49 2.01 -1.26 -1.52 115.64 120.64 3i6l s THR 271 Ca 0.51 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3i6l s THR 271 Cb -0.15 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3i6l s THR 271 CO 0.20 0.56 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.68 3i6l s LEU 272 N 0.14 2.05 0.08 4.42 1.43 0.11 -4.94 118.68 121.98 3i6l s LEU 272 Ca -0.13 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3i6l s LEU 272 Cb -0.16 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3i6l s LEU 272 CO 0.07 0.30 -0.16 -0.60 0.23 0.00 0.00 176.35 176.19 3i6l s ARG 273 N -0.54 0.92 0.00 1.70 3.52 -1.26 -0.33 118.95 122.96 3i6l s ARG 273 Ca 0.08 -1.02 0.28 0.00 -0.13 0.00 0.00 55.73 54.94 3i6l s ARG 273 Cb -0.10 -1.02 1.66 0.00 -1.56 0.00 0.00 34.95 33.93 3i6l s ARG 273 CO -0.00 0.23 2.00 1.87 -0.81 0.00 0.00 175.30 178.59