#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6g s SER 2 N 0.00 6.23 0.16 1.61 0.01 -1.26 -3.63 113.70 116.81 3i6g s SER 2 Ca 0.00 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.72 3i6g s SER 2 Cb 0.00 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3i6g s SER 2 CO 0.00 -0.86 0.12 -1.00 0.41 0.00 0.00 173.24 171.90 3i6g s HIS 3 N -3.01 0.88 0.00 2.43 3.76 -0.36 -4.97 115.29 114.02 3i6g s HIS 3 Ca 0.56 -1.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.17 3i6g s HIS 3 Cb -0.11 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.15 3i6g s HIS 3 CO 0.48 -0.59 0.21 -1.54 -0.85 0.00 0.00 174.74 172.45 3i6g s SER 4 N -3.07 -0.05 -0.05 1.40 1.04 -1.26 -0.67 113.70 111.04 3i6g s SER 4 Ca 0.28 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.64 3i6g s SER 4 Cb 0.07 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3i6g s SER 4 CO 0.05 -0.42 -0.22 -0.32 0.98 0.00 0.00 173.24 173.31 3i6g s MET 5 N -1.50 2.28 -0.01 4.02 1.75 -0.50 -1.12 119.30 124.22 3i6g s MET 5 Ca -0.13 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.52 3i6g s MET 5 Cb -0.06 -1.94 0.01 0.00 2.84 0.00 0.00 34.83 35.69 3i6g s MET 5 CO 0.02 0.32 -0.00 1.03 -0.65 0.00 0.00 175.02 175.73 3i6g s ARG 6 N -0.06 0.17 -0.06 4.11 1.81 -0.12 -1.76 118.95 123.03 3i6g s ARG 6 Ca -0.04 0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.01 3i6g s ARG 6 Cb -0.13 -0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 3i6g s ARG 6 CO 0.03 -0.05 -0.11 0.71 -0.68 0.00 0.00 175.30 175.21 3i6g s TYR 7 N 0.49 2.82 -0.08 -0.53 2.02 0.00 -0.21 117.35 121.88 3i6g s TYR 7 Ca -0.05 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.59 3i6g s TYR 7 Cb -0.07 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3i6g s TYR 7 CO -0.01 0.23 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.95 3i6g s PHE 8 N -0.69 2.01 -0.05 2.71 0.08 -0.17 -2.25 117.98 119.62 3i6g s PHE 8 Ca 0.10 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.44 3i6g s PHE 8 Cb -0.11 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 3i6g s PHE 8 CO 0.01 -0.31 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.61 3i6g s PHE 9 N 0.38 1.58 -0.10 0.36 0.08 0.22 -1.13 117.98 119.37 3i6g s PHE 9 Ca -0.14 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.43 3i6g s PHE 9 Cb -0.16 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 3i6g s PHE 9 CO 0.06 -0.20 -0.14 0.99 -0.10 0.00 0.00 175.22 175.83 3i6g s THR 10 N 0.23 1.42 -0.09 0.64 2.01 0.07 -1.25 115.64 118.67 3i6g s THR 10 Ca -0.07 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.38 3i6g s THR 10 Cb -0.12 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 3i6g s THR 10 CO 0.03 0.43 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.71 3i6g s SER 11 N 1.00 3.16 -0.20 3.53 0.01 -0.25 -0.70 113.70 120.25 3i6g s SER 11 Ca -0.07 -0.52 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 3i6g s SER 11 Cb -0.15 -1.23 0.05 0.00 0.21 0.00 0.00 66.02 64.90 3i6g s SER 11 CO -0.01 0.19 -0.05 -0.69 0.41 0.00 0.00 173.24 173.09 3i6g s VAL 12 N 0.16 1.28 0.59 3.43 1.01 0.38 -1.28 120.40 125.97 3i6g s VAL 12 Ca -0.13 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 3i6g s VAL 12 Cb -0.16 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3i6g s VAL 12 CO 0.07 0.00 1.26 -0.94 0.00 0.00 0.00 175.10 175.49 3i6g s SER 13 N 1.53 5.10 -0.44 3.32 1.04 -0.70 -1.24 113.70 122.31 3i6g s SER 13 Ca -0.02 2.53 0.07 0.00 0.48 0.00 0.00 55.95 59.00 3i6g s SER 13 Cb -0.17 -2.61 0.23 0.00 0.10 0.00 0.00 66.02 63.56 3i6g s SER 13 CO -0.07 -1.67 0.65 -2.11 0.98 0.00 0.00 173.24 171.02 3i6g n ARG 14 N -1.49 0.63 -1.60 4.02 1.85 -1.26 -4.20 116.66 114.61 3i6g n ARG 14 Ca 0.13 -2.54 -0.50 0.00 -1.00 0.00 0.00 57.85 53.94 3i6g n ARG 14 Cb 0.48 -1.40 -0.05 0.00 -1.05 0.00 0.00 32.46 30.44 3i6g n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3i6g n PRO 15 N 1.92 1.29 -0.90 2.89 -0.02 -1.26 -0.64 135.00 138.27 3i6g n PRO 15 Ca 0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3i6g n PRO 15 Cb 0.56 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3i6g n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6g n GLY 16 N 2.39 0.54 0.59 -1.23 0.00 -1.26 -4.82 105.19 101.40 3i6g n GLY 16 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3i6g n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6g n ARG 17 N -1.88 0.96 0.00 1.61 5.12 0.18 -5.12 116.66 117.54 3i6g n ARG 17 Ca 0.00 -2.50 0.00 0.00 -1.93 0.00 0.00 57.85 53.42 3i6g n ARG 17 Cb 0.07 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 3i6g n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i6g n GLY 18 N -0.75 -2.02 3.77 -0.13 0.00 -1.24 -4.95 105.19 99.88 3i6g n GLY 18 Ca 0.13 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3i6g n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6g s GLU 19 N -0.25 2.11 0.42 1.61 0.41 -1.26 -4.54 118.70 117.19 3i6g s GLU 19 Ca 0.00 0.96 -0.26 0.00 -0.41 0.00 0.00 54.97 55.26 3i6g s GLU 19 Cb 0.00 -1.90 -0.09 0.00 -1.78 0.00 0.00 34.13 30.36 3i6g s GLU 19 CO 0.00 -1.69 1.43 -2.14 -0.49 0.00 0.00 175.26 172.37 3i6g s PRO 20 N -4.97 3.87 0.11 0.39 0.02 -1.26 -4.73 135.00 128.42 3i6g s PRO 20 Ca 0.61 2.43 -0.31 0.00 0.02 0.00 0.00 61.00 63.75 3i6g s PRO 20 Cb -0.16 -2.78 -0.09 0.00 0.02 0.00 0.00 34.50 31.49 3i6g s PRO 20 CO 0.56 -0.68 1.67 0.50 -0.33 0.00 0.00 177.00 178.72 3i6g s ARG 21 N -2.30 4.19 -0.11 5.54 6.06 -0.37 -4.76 118.95 127.20 3i6g s ARG 21 Ca 0.58 2.41 0.02 0.00 -2.50 0.00 0.00 55.73 56.23 3i6g s ARG 21 Cb -0.44 -3.47 0.01 0.00 0.06 0.00 0.00 34.95 31.11 3i6g s ARG 21 CO 0.58 -0.73 -0.16 0.12 -2.50 0.00 0.00 175.30 172.60 3i6g s PHE 22 N 2.25 2.09 -0.07 5.12 5.36 -1.26 -0.47 117.98 131.00 3i6g s PHE 22 Ca 0.74 -0.98 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 3i6g s PHE 22 Cb -0.42 -1.48 0.01 0.00 -0.34 0.00 0.00 43.02 40.79 3i6g s PHE 22 CO 0.33 -0.49 -0.12 0.42 -1.46 0.00 0.00 175.22 173.90 3i6g s ILE 23 N 0.93 1.13 -0.05 3.12 1.01 0.12 -1.08 121.20 126.39 3i6g s ILE 23 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.15 3i6g s ILE 23 Cb -0.15 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 3i6g s ILE 23 CO -0.01 0.35 -0.20 0.00 0.00 0.00 0.00 174.94 175.08 3i6g s ALA 24 N 0.69 1.77 0.00 9.38 0.00 -0.18 -0.75 121.76 132.67 3i6g s ALA 24 Ca -0.14 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3i6g s ALA 24 Cb -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3i6g s ALA 24 CO 0.03 0.32 -0.11 0.14 0.00 0.00 0.00 175.76 176.14 3i6g s VAL 25 N 0.00 0.87 -0.04 0.00 -7.23 -0.28 -0.72 120.40 113.00 3i6g s VAL 25 Ca -0.05 -0.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 3i6g s VAL 25 Cb -0.13 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 3i6g s VAL 25 CO 0.03 0.17 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.01 3i6g s GLY 26 N -0.45 1.51 0.02 2.32 0.00 -0.77 -1.00 107.32 108.95 3i6g s GLY 26 Ca 0.03 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.79 3i6g s GLY 26 CO -0.00 -0.81 -0.15 -0.19 0.00 0.00 0.00 173.10 171.95 3i6g s TYR 27 N -0.74 1.29 -0.16 1.90 1.51 0.71 -1.32 117.35 120.54 3i6g s TYR 27 Ca 0.12 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3i6g s TYR 27 Cb -0.11 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 3i6g s TYR 27 CO 0.01 0.02 -0.12 0.08 -1.11 0.00 0.00 175.55 174.43 3i6g s VAL 28 N -0.65 2.93 0.00 0.71 1.01 -0.19 -0.95 120.40 123.26 3i6g s VAL 28 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3i6g s VAL 28 Cb -0.07 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3i6g s VAL 28 CO 0.01 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.08 3i6g n ASP 29 N 4.06 0.00 -1.84 3.32 8.00 -0.28 -0.73 116.55 129.09 3i6g n ASP 29 Ca -0.19 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.38 3i6g n ASP 29 Cb 0.52 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.01 3i6g n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i6g n ASP 30 N 3.32 5.55 -4.25 -2.24 8.00 -1.26 -4.90 116.55 120.76 3i6g n ASP 30 Ca 0.00 -2.89 -0.34 0.00 0.71 0.00 0.00 54.79 52.27 3i6g n ASP 30 Cb 0.00 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.27 3i6g n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i6g s THR 31 N -2.68 2.83 0.09 -3.53 2.01 0.09 -5.00 115.64 109.45 3i6g s THR 31 Ca 0.52 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3i6g s THR 31 Cb 0.40 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 3i6g s THR 31 CO 0.15 0.48 1.06 -1.58 -0.69 0.00 0.00 174.62 174.04 3i6g s GLN 32 N 1.20 4.58 0.00 4.92 0.74 -1.26 -1.02 119.66 128.82 3i6g s GLN 32 Ca 0.02 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.02 3i6g s GLN 32 Cb -0.14 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3i6g s GLN 32 CO -0.05 0.01 0.00 1.97 -0.55 0.00 0.00 175.29 176.67 3i6g n PHE 33 N 3.19 0.00 -4.08 1.67 -1.74 -0.43 -3.92 117.46 112.15 3i6g n PHE 33 Ca 0.05 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.86 3i6g n PHE 33 Cb 0.48 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.38 3i6g n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3i6g s VAL 34 N -1.79 0.20 0.01 1.97 -7.23 -1.22 -0.54 120.40 111.80 3i6g s VAL 34 Ca 0.00 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 3i6g s VAL 34 Cb 0.00 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.39 3i6g s VAL 34 CO 0.00 -0.91 0.28 0.00 -0.31 0.00 0.00 175.10 174.15 3i6g s ARG 35 N -3.93 0.69 -0.01 4.82 1.04 -0.54 -1.84 118.95 119.18 3i6g s ARG 35 Ca 0.09 -0.35 0.00 0.00 -1.04 0.00 0.00 55.73 54.43 3i6g s ARG 35 Cb 0.08 0.30 0.01 0.00 -2.04 0.00 0.00 34.95 33.29 3i6g s ARG 35 CO -0.09 -0.20 0.00 0.12 -0.04 0.00 0.00 175.30 175.10 3i6g s PHE 36 N -1.79 0.07 -0.10 5.89 5.36 0.10 -0.35 117.98 127.15 3i6g s PHE 36 Ca -0.11 0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 55.87 3i6g s PHE 36 Cb -0.04 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.57 3i6g s PHE 36 CO 0.01 -0.03 0.01 0.34 -1.46 0.00 0.00 175.22 174.09 3i6g s ASP 37 N 0.31 1.89 0.62 6.13 -1.08 -1.26 -1.01 116.67 122.26 3i6g s ASP 37 Ca -0.03 -0.26 0.33 0.00 -0.52 0.00 0.00 52.55 52.08 3i6g s ASP 37 Cb -0.04 -0.46 1.93 0.00 -1.46 0.00 0.00 42.92 42.89 3i6g s ASP 37 CO -0.01 -0.22 2.23 0.77 0.52 0.00 0.00 175.17 178.45 3i6g h SER 38 N 8.32 0.00 0.20 -0.34 4.64 -1.49 -0.76 113.55 124.12 3i6g h SER 38 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3i6g h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3i6g h SER 38 CO 0.28 0.00 -0.59 0.47 -0.87 0.00 0.00 176.83 176.12 3i6g n ASP 39 N -3.57 1.05 -4.82 4.97 9.92 -1.26 -4.94 116.55 117.90 3i6g n ASP 39 Ca -0.02 -0.85 -0.30 0.00 -0.53 0.00 0.00 54.79 53.09 3i6g n ASP 39 Cb 0.16 0.49 0.07 0.00 -0.64 0.00 0.00 41.12 41.19 3i6g n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i6g s ALA 40 N -2.79 2.53 0.12 2.24 0.00 -0.29 -5.00 121.76 118.57 3i6g s ALA 40 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3i6g s ALA 40 Cb 0.18 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.05 3i6g s ALA 40 CO 0.69 -1.42 1.27 0.00 0.00 0.00 0.00 175.76 176.30 3i6g h ALA 41 N -0.86 0.32 -0.82 0.00 0.00 -1.92 -3.34 119.26 112.64 3i6g h ALA 41 Ca -0.45 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 53.67 3i6g h ALA 41 Cb 1.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3i6g h ALA 41 CO 0.59 0.87 0.38 0.66 0.00 0.00 0.00 179.25 181.75 3i6g h SER 42 N 0.17 1.09 -3.08 0.00 4.64 -1.94 -3.46 113.55 110.97 3i6g h SER 42 Ca -0.09 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.74 3i6g h SER 42 Cb 1.67 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3i6g h SER 42 CO 0.17 0.93 -0.48 0.00 -0.87 0.00 0.00 176.83 176.59 3i6g n GLN 43 N -4.31 -2.61 -4.10 4.77 1.13 -1.25 -5.01 117.38 105.99 3i6g n GLN 43 Ca 0.08 0.81 -0.08 0.00 -1.94 0.00 0.00 57.00 55.87 3i6g n GLN 43 Cb 0.15 -5.33 -0.10 0.00 0.11 0.00 0.00 30.24 25.07 3i6g n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3i6g s ARG 44 N -5.15 0.65 0.18 -1.09 0.52 -1.26 -5.05 118.95 107.75 3i6g s ARG 44 Ca 0.11 -1.19 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 3i6g s ARG 44 Cb -0.05 0.06 -0.10 0.00 0.52 0.00 0.00 34.95 35.38 3i6g s ARG 44 CO 0.14 -0.07 1.54 1.41 0.02 0.00 0.00 175.30 178.34 3i6g s MET 45 N -3.63 4.22 0.02 3.54 -2.45 -1.26 -4.70 119.30 115.05 3i6g s MET 45 Ca 0.06 2.35 0.07 0.00 -1.25 0.00 0.00 55.69 56.92 3i6g s MET 45 Cb 0.05 -3.14 -0.03 0.00 1.25 0.00 0.00 34.83 32.96 3i6g s MET 45 CO -0.07 -0.57 -0.20 -1.21 1.05 0.00 0.00 175.02 174.02 3i6g s GLU 46 N 0.80 2.08 0.40 4.11 2.02 0.52 -4.91 118.70 123.73 3i6g s GLU 46 Ca 0.68 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 54.44 3i6g s GLU 46 Cb -0.43 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 3i6g s GLU 46 CO 0.34 0.55 1.25 -2.14 0.02 0.00 0.00 175.26 175.28 3i6g s PRO 47 N -1.24 4.01 0.00 0.39 0.02 -1.26 -1.47 135.00 135.45 3i6g s PRO 47 Ca 0.13 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3i6g s PRO 47 Cb -0.10 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.67 3i6g s PRO 47 CO 0.03 -0.42 0.35 0.54 -0.33 0.00 0.00 177.00 177.18 3i6g n ARG 48 N 0.14 0.19 -4.07 5.54 5.12 0.30 -4.83 116.66 119.04 3i6g n ARG 48 Ca 0.04 -0.40 -0.14 0.00 -1.93 0.00 0.00 57.85 55.42 3i6g n ARG 48 Cb 0.45 -0.58 -0.14 0.00 -1.16 0.00 0.00 32.46 31.03 3i6g n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6g s ALA 49 N -0.09 0.33 0.22 7.54 0.00 -1.21 -4.60 121.76 123.95 3i6g s ALA 49 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 3i6g s ALA 49 Cb 0.00 -0.06 0.35 0.00 0.00 0.00 0.00 23.12 23.41 3i6g s ALA 49 CO 0.00 0.06 1.74 -1.35 0.00 0.00 0.00 175.76 176.20 3i6g h PRO 50 N 5.82 0.40 0.00 0.00 0.11 -1.94 -2.33 132.00 134.06 3i6g h PRO 50 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i6g h PRO 50 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i6g h PRO 50 CO 0.49 0.27 0.00 -2.67 -0.21 0.00 0.00 178.00 175.87 3i6g n TRP 51 N -5.01 0.50 0.08 0.65 4.27 -1.26 -2.20 117.44 114.47 3i6g n TRP 51 Ca 0.11 0.20 0.10 0.00 -3.89 0.00 0.00 57.50 54.01 3i6g n TRP 51 Cb 0.33 -0.81 -0.03 0.00 -1.36 0.00 0.00 31.31 29.43 3i6g n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3i6g n ILE 52 N -1.95 0.62 0.04 -1.67 0.13 -0.88 -4.09 119.36 111.56 3i6g n ILE 52 Ca 0.03 -0.56 0.16 0.00 -1.10 0.00 0.00 62.75 61.27 3i6g n ILE 52 Cb 0.21 -0.35 0.64 0.00 -0.84 0.00 0.00 39.64 39.30 3i6g n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3i6g h GLU 53 N 0.00 0.08 0.00 9.51 5.08 -1.45 -1.96 114.58 125.84 3i6g h GLU 53 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i6g h GLU 53 Cb 1.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i6g h GLU 53 CO 0.01 0.05 0.00 -0.56 -1.00 0.00 0.00 179.01 177.51 3i6g h GLN 54 N 0.08 0.00 -6.72 2.33 3.07 -1.74 -3.44 115.11 108.69 3i6g h GLN 54 Ca 0.20 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.37 3i6g h GLN 54 Cb 0.69 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.36 3i6g h GLN 54 CO -0.02 0.00 0.50 0.39 0.09 0.00 0.00 178.83 179.79 3i6g n GLU 55 N -2.91 2.09 -1.68 0.06 -0.58 -0.74 -4.96 120.64 111.93 3i6g n GLU 55 Ca 0.02 0.73 -0.30 0.00 -0.42 0.00 0.00 57.16 57.20 3i6g n GLU 55 Cb 0.35 -2.31 0.18 0.00 -0.57 0.00 0.00 31.44 29.08 3i6g n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i6g s GLY 56 N -0.27 1.68 0.52 0.62 0.00 -1.26 -4.82 107.32 103.79 3i6g s GLY 56 Ca 0.56 -0.98 0.21 0.00 0.00 0.00 0.00 44.72 44.52 3i6g s GLY 56 CO 0.61 -0.25 2.06 -2.55 0.00 0.00 0.00 173.10 172.97 3i6g h PRO 57 N -1.76 0.02 -0.45 2.90 0.11 -1.97 -0.90 132.00 129.94 3i6g h PRO 57 Ca -0.46 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3i6g h PRO 57 Cb 1.27 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3i6g h PRO 57 CO 0.44 0.01 -0.05 1.49 -0.21 0.00 0.00 178.00 179.68 3i6g h GLU 58 N 0.02 0.78 0.17 1.05 4.81 -1.99 0.66 114.58 120.07 3i6g h GLU 58 Ca 0.15 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3i6g h GLU 58 Cb 0.58 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3i6g h GLU 58 CO -0.00 0.82 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.10 3i6g h TYR 59 N 0.72 -0.21 -0.31 0.92 3.20 -1.51 -1.81 116.97 117.97 3i6g h TYR 59 Ca 0.13 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3i6g h TYR 59 Cb 0.51 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3i6g h TYR 59 CO 0.03 0.06 -0.01 -1.49 -1.64 0.00 0.00 178.16 175.11 3i6g h TRP 60 N -0.46 0.49 -0.10 -3.82 4.06 -1.37 0.46 115.95 115.20 3i6g h TRP 60 Ca -0.02 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3i6g h TRP 60 Cb 0.36 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3i6g h TRP 60 CO 0.00 0.49 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.91 3i6g h ASP 61 N 0.46 0.20 -0.26 -3.49 5.19 -0.88 -1.43 116.42 116.21 3i6g h ASP 61 Ca 0.10 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3i6g h ASP 61 Cb 0.31 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 3i6g h ASP 61 CO 0.01 0.52 0.17 1.23 -3.12 0.00 0.00 179.24 178.04 3i6g h GLY 62 N -0.13 0.36 1.40 2.75 0.00 -0.90 -1.25 103.07 105.31 3i6g h GLY 62 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3i6g h GLY 62 CO 0.01 0.13 -0.17 0.83 0.00 0.00 0.00 176.54 177.34 3i6g h GLU 63 N 0.34 0.70 -0.49 4.80 4.39 -0.95 0.25 114.58 123.62 3i6g h GLU 63 Ca 0.10 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3i6g h GLU 63 Cb -0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3i6g h GLU 63 CO -0.03 0.83 0.09 1.15 -1.16 0.00 0.00 179.01 179.89 3i6g h THR 64 N 0.62 1.25 -0.40 1.13 2.02 -1.10 -0.19 112.91 116.23 3i6g h THR 64 Ca 0.10 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 3i6g h THR 64 Cb 0.64 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3i6g h THR 64 CO 0.04 0.32 -0.04 0.03 0.37 0.00 0.00 175.52 176.25 3i6g h ARG 65 N 0.69 0.73 -0.56 6.66 3.08 -0.94 -2.26 114.38 121.78 3i6g h ARG 65 Ca 0.15 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3i6g h ARG 65 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i6g h ARG 65 CO 0.01 0.84 -0.02 0.87 -1.07 0.00 0.00 179.97 180.60 3i6g h LYS 66 N 0.55 1.01 -0.11 0.04 1.57 -0.84 -2.02 116.57 116.77 3i6g h LYS 66 Ca 0.11 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 3i6g h LYS 66 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3i6g h LYS 66 CO 0.03 1.01 -0.36 -0.24 -0.57 0.00 0.00 179.45 179.32 3i6g h VAL 67 N 0.89 1.28 -0.07 0.50 3.04 -0.98 -0.19 116.25 120.72 3i6g h VAL 67 Ca 0.16 -1.37 -0.15 0.00 -1.01 0.00 0.00 66.70 64.32 3i6g h VAL 67 Cb 0.57 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 3i6g h VAL 67 CO 0.03 0.41 -0.62 0.11 -1.01 0.00 0.00 177.57 176.49 3i6g h LYS 68 N 0.19 0.27 -0.60 4.17 1.57 -1.24 -1.09 116.57 119.85 3i6g h LYS 68 Ca 0.02 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3i6g h LYS 68 Cb 0.72 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3i6g h LYS 68 CO 0.05 0.80 -0.01 0.00 -0.57 0.00 0.00 179.45 179.73 3i6g h ALA 69 N 1.15 0.81 -0.54 3.86 0.00 -0.79 -0.95 119.26 122.79 3i6g h ALA 69 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i6g h ALA 69 Cb 1.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3i6g h ALA 69 CO 0.10 0.65 0.34 0.45 0.00 0.00 0.00 179.25 180.79 3i6g h HIS 70 N 0.96 0.70 -0.41 0.00 3.86 -0.79 -0.64 115.15 118.84 3i6g h HIS 70 Ca 0.17 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.43 3i6g h HIS 70 Cb 0.57 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 3i6g h HIS 70 CO 0.04 0.47 0.18 1.03 0.86 0.00 0.00 177.93 180.50 3i6g h SER 71 N 0.73 0.23 -0.76 2.45 0.87 -1.02 -2.16 113.55 113.88 3i6g h SER 71 Ca 0.20 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3i6g h SER 71 Cb -0.04 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3i6g h SER 71 CO -0.04 0.17 0.32 -0.61 -0.53 0.00 0.00 176.83 176.14 3i6g h GLN 72 N 0.36 1.13 -0.46 2.24 5.75 -0.72 -0.60 115.11 122.81 3i6g h GLN 72 Ca 0.18 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3i6g h GLN 72 Cb 0.13 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3i6g h GLN 72 CO -0.16 0.91 0.15 1.15 -2.65 0.00 0.00 178.83 178.23 3i6g h THR 73 N 1.11 1.22 -0.04 2.39 2.02 -0.79 -1.97 112.91 116.85 3i6g h THR 73 Ca 0.26 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3i6g h THR 73 Cb 0.18 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3i6g h THR 73 CO -0.02 0.26 -0.44 0.45 0.37 0.00 0.00 175.52 176.14 3i6g h HIS 74 N 0.61 0.10 -0.33 3.16 3.86 -1.14 0.11 115.15 121.53 3i6g h HIS 74 Ca 0.15 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3i6g h HIS 74 Cb 0.25 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i6g h HIS 74 CO 0.01 0.52 0.10 -0.09 0.86 0.00 0.00 177.93 179.33 3i6g h ARG 75 N 0.07 0.51 -0.30 2.45 2.43 -0.78 -1.09 114.38 117.67 3i6g h ARG 75 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3i6g h ARG 75 Cb 0.81 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3i6g h ARG 75 CO 0.06 0.55 0.14 0.28 -1.51 0.00 0.00 179.97 179.48 3i6g h VAL 76 N 0.38 1.17 -0.54 0.20 2.07 -1.17 -3.18 116.25 115.17 3i6g h VAL 76 Ca 0.11 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3i6g h VAL 76 Cb 0.25 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 3i6g h VAL 76 CO -0.00 0.17 0.07 0.44 0.02 0.00 0.00 177.57 178.27 3i6g h ASP 77 N 0.35 -0.09 -0.89 0.57 3.32 -0.48 -0.70 116.42 118.50 3i6g h ASP 77 Ca 0.10 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.41 3i6g h ASP 77 Cb 0.15 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.78 3i6g h ASP 77 CO -0.01 -0.02 0.50 -0.07 -1.72 0.00 0.00 179.24 177.91 3i6g h LEU 78 N 0.19 0.65 -0.08 1.55 3.38 -1.19 0.47 115.31 120.29 3i6g h LEU 78 Ca 0.28 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 3i6g h LEU 78 Cb 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3i6g h LEU 78 CO -0.40 0.29 -0.02 1.23 0.09 0.00 0.00 178.44 179.63 3i6g h GLY 79 N 0.72 0.16 0.62 0.83 0.00 -1.26 -1.36 103.07 102.78 3i6g h GLY 79 Ca 0.48 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.76 3i6g h GLY 79 CO -0.34 0.12 0.52 -0.84 0.00 0.00 0.00 176.54 176.00 3i6g h THR 80 N -0.19 0.98 -0.28 4.70 2.02 -0.24 -1.46 112.91 118.44 3i6g h THR 80 Ca 0.02 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 66.70 3i6g h THR 80 Cb 0.42 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3i6g h THR 80 CO 0.01 0.17 -0.56 -0.07 0.37 0.00 0.00 175.52 175.44 3i6g h LEU 81 N 0.91 0.97 -1.31 2.58 3.38 -0.02 -0.91 115.31 120.90 3i6g h LEU 81 Ca 0.40 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3i6g h LEU 81 Cb 0.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3i6g h LEU 81 CO -0.21 1.32 0.50 -0.09 0.09 0.00 0.00 178.44 180.05 3i6g h ARG 82 N 0.66 0.85 -0.22 1.13 2.43 -0.90 -2.05 114.38 116.28 3i6g h ARG 82 Ca 0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3i6g h ARG 82 Cb 1.17 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3i6g h ARG 82 CO 0.12 0.56 -0.02 0.78 -1.51 0.00 0.00 179.97 179.90 3i6g h GLY 83 N 0.87 0.43 0.64 2.80 0.00 -0.84 -0.27 103.07 106.71 3i6g h GLY 83 Ca 0.31 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.39 3i6g h GLY 83 CO -0.10 0.30 0.56 -0.97 0.00 0.00 0.00 176.54 176.34 3i6g h TYR 84 N 0.15 1.03 -0.64 5.60 0.05 -0.69 -2.28 116.97 120.18 3i6g h TYR 84 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3i6g h TYR 84 Cb 0.44 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3i6g h TYR 84 CO 0.04 0.49 0.00 0.66 -1.05 0.00 0.00 178.16 178.30 3i6g n TYR 85 N -4.62 0.85 -4.05 4.88 4.01 -0.82 -4.94 117.16 112.48 3i6g n TYR 85 Ca 0.14 -0.43 -0.29 0.00 -0.16 0.00 0.00 57.90 57.17 3i6g n TYR 85 Cb 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3i6g n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i6g n ASN 86 N 1.53 -0.52 -4.94 7.72 5.15 -0.54 -4.94 115.26 118.72 3i6g n ASN 86 Ca 0.23 -1.10 -0.25 0.00 -0.60 0.00 0.00 54.58 52.86 3i6g n ASN 86 Cb 0.59 -2.57 -0.02 0.00 -0.53 0.00 0.00 39.78 37.25 3i6g n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i6g s GLN 87 N -6.81 3.49 0.70 1.20 -0.21 -0.22 -5.04 119.66 112.78 3i6g s GLN 87 Ca 0.06 -0.44 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 3i6g s GLN 87 Cb -0.03 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.21 3i6g s GLN 87 CO 0.92 0.33 1.08 -1.54 -2.12 0.00 0.00 175.29 173.96 3i6g s SER 88 N -3.65 5.02 0.12 5.90 1.04 -1.26 -4.83 113.70 116.05 3i6g s SER 88 Ca 0.38 1.82 0.25 0.00 0.48 0.00 0.00 55.95 58.88 3i6g s SER 88 Cb -0.10 -2.52 0.95 0.00 0.10 0.00 0.00 66.02 64.45 3i6g s SER 88 CO 0.31 -1.68 1.77 -0.62 0.98 0.00 0.00 173.24 174.00 3i6g n GLU 89 N -2.96 0.13 0.18 4.02 1.02 -1.26 -3.66 120.64 118.12 3i6g n GLU 89 Ca 0.09 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 3i6g n GLU 89 Cb 0.53 -1.68 0.12 0.00 -0.02 0.00 0.00 31.44 30.39 3i6g n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i6g h ALA 90 N 2.63 0.85 -2.56 0.62 0.00 -1.97 -3.43 119.26 115.40 3i6g h ALA 90 Ca 0.00 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 3i6g h ALA 90 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3i6g h ALA 90 CO 0.00 0.04 0.04 0.20 0.00 0.00 0.00 179.25 179.53 3i6g s GLY 91 N -4.27 2.56 0.02 0.00 0.00 -1.24 -4.74 107.32 99.65 3i6g s GLY 91 Ca 0.05 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.56 3i6g s GLY 91 CO 0.71 0.39 0.82 -0.45 0.00 0.00 0.00 173.10 174.56 3i6g s SER 92 N -1.66 7.23 0.25 1.64 0.15 -1.26 -4.76 113.70 115.29 3i6g s SER 92 Ca 0.41 1.48 0.04 0.00 0.70 0.00 0.00 55.95 58.57 3i6g s SER 92 Cb -0.16 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 3i6g s SER 92 CO 0.20 -0.08 0.01 -1.00 1.20 0.00 0.00 173.24 173.58 3i6g s HIS 93 N 0.35 1.64 -0.06 3.44 3.76 -1.26 -4.97 115.29 118.19 3i6g s HIS 93 Ca 0.42 -0.94 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 3i6g s HIS 93 Cb -0.20 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.53 3i6g s HIS 93 CO 0.24 -0.04 -0.08 0.99 -0.85 0.00 0.00 174.74 174.99 3i6g s THR 94 N -3.41 0.84 -0.12 1.30 2.01 -1.26 -1.72 115.64 113.28 3i6g s THR 94 Ca 0.31 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3i6g s THR 94 Cb 0.06 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 3i6g s THR 94 CO 0.10 0.30 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.59 3i6g s VAL 95 N 0.91 3.79 0.05 3.82 1.01 -0.41 -0.05 120.40 129.53 3i6g s VAL 95 Ca -0.11 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3i6g s VAL 95 Cb -0.15 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3i6g s VAL 95 CO 0.01 0.53 -0.20 -1.10 0.00 0.00 0.00 175.10 174.34 3i6g s GLN 96 N -0.04 1.29 -0.06 2.72 -0.21 -0.19 -1.09 119.66 122.07 3i6g s GLN 96 Ca 0.01 -0.96 -0.06 0.00 0.02 0.00 0.00 55.36 54.37 3i6g s GLN 96 Cb -0.13 -1.42 0.02 0.00 1.00 0.00 0.00 33.01 32.47 3i6g s GLN 96 CO 0.03 0.36 0.16 0.50 -2.12 0.00 0.00 175.29 174.22 3i6g s ARG 97 N -1.31 0.19 -0.02 2.91 3.52 -0.38 -0.41 118.95 123.45 3i6g s ARG 97 Ca 0.07 0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 55.88 3i6g s ARG 97 Cb -0.09 0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.40 3i6g s ARG 97 CO 0.02 -0.03 0.05 1.41 -0.81 0.00 0.00 175.30 175.94 3i6g s MET 98 N 0.11 0.03 0.17 5.12 1.75 -0.43 -0.61 119.30 125.45 3i6g s MET 98 Ca -0.00 0.10 -0.13 0.00 -1.25 0.00 0.00 55.69 54.41 3i6g s MET 98 Cb -0.01 -0.04 0.01 0.00 2.84 0.00 0.00 34.83 37.62 3i6g s MET 98 CO 0.00 -0.05 0.39 1.52 -0.65 0.00 0.00 175.02 176.23 3i6g s TYR 99 N 0.30 0.14 -5.00 4.11 -0.85 -0.96 0.08 117.35 115.17 3i6g s TYR 99 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3i6g s TYR 99 Cb -0.03 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.46 3i6g s TYR 99 CO -0.01 -0.80 0.00 0.41 -1.52 0.00 0.00 175.55 173.63 3i6g n GLY 100 N -0.26 -1.10 3.09 5.49 0.00 -0.87 -0.82 105.19 110.72 3i6g n GLY 100 Ca -0.09 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3i6g n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6g s ASP 102 N -1.87 4.67 0.21 0.00 1.01 0.16 -1.42 116.67 119.43 3i6g s ASP 102 Ca -0.09 -0.14 0.10 0.00 0.71 0.00 0.00 52.55 53.13 3i6g s ASP 102 Cb -0.04 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.75 3i6g s ASP 102 CO -0.03 0.28 -0.18 0.68 0.21 0.00 0.00 175.17 176.13 3i6g s VAL 103 N -1.02 2.03 0.00 -1.27 -7.23 0.16 0.04 120.40 113.11 3i6g s VAL 103 Ca 0.18 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3i6g s VAL 103 Cb -0.11 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3i6g s VAL 103 CO 0.08 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 3i6g n GLY 104 N -0.18 -0.14 0.32 2.32 0.00 -0.68 -1.22 105.19 105.62 3i6g n GLY 104 Ca -0.09 -1.81 0.21 0.00 0.00 0.00 0.00 46.02 44.33 3i6g n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i6g h SER 105 N 0.00 0.00 -0.19 1.61 0.02 -1.91 0.18 113.55 113.26 3i6g h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i6g h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3i6g h SER 105 CO 0.00 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 174.80 3i6g n ASP 106 N -3.23 1.55 -1.64 3.07 5.68 -1.26 -4.73 116.55 115.99 3i6g n ASP 106 Ca -0.03 -1.75 -0.21 0.00 -0.50 0.00 0.00 54.79 52.31 3i6g n ASP 106 Cb 0.11 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 3i6g n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3i6g n TRP 107 N 0.26 -0.07 -3.84 2.11 7.02 0.05 -4.98 117.44 118.00 3i6g n TRP 107 Ca 0.15 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.32 3i6g n TRP 107 Cb 0.30 -3.48 -0.04 0.00 -2.42 0.00 0.00 31.31 25.66 3i6g n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3i6g s ARG 108 N -3.84 3.49 0.20 -0.99 0.52 -1.26 -4.81 118.95 112.27 3i6g s ARG 108 Ca 0.00 -0.35 -0.32 0.00 -0.52 0.00 0.00 55.73 54.55 3i6g s ARG 108 Cb 0.00 -2.97 -0.15 0.00 0.52 0.00 0.00 34.95 32.35 3i6g s ARG 108 CO 0.00 0.55 1.13 0.34 0.02 0.00 0.00 175.30 177.34 3i6g n PHE 109 N 0.10 1.31 0.00 -0.53 -0.00 -1.26 -1.69 117.46 115.39 3i6g n PHE 109 Ca -0.04 0.67 0.00 0.00 -0.00 0.00 0.00 57.45 58.08 3i6g n PHE 109 Cb 0.52 -2.28 0.00 0.00 -0.00 0.00 0.00 39.48 37.72 3i6g n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3i6g n LEU 110 N 1.86 1.37 -3.56 -2.13 7.94 0.11 -4.74 117.00 117.84 3i6g n LEU 110 Ca 0.14 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.89 3i6g n LEU 110 Cb 0.27 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.16 3i6g n LEU 110 CO 0.61 0.20 0.57 -0.60 -1.11 0.00 0.00 177.39 177.07 3i6g s ARG 111 N -1.95 0.84 0.14 1.96 3.52 -1.01 -4.96 118.95 117.48 3i6g s ARG 111 Ca 0.00 0.32 0.08 0.00 -0.13 0.00 0.00 55.73 56.00 3i6g s ARG 111 Cb 0.00 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 3i6g s ARG 111 CO 0.00 -0.24 -0.18 0.20 -0.81 0.00 0.00 175.30 174.28 3i6g s GLY 112 N -0.89 1.28 0.02 8.12 0.00 -1.26 0.36 107.32 114.95 3i6g s GLY 112 Ca -0.06 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.29 3i6g s GLY 112 CO 0.05 -1.42 -0.04 -0.19 0.00 0.00 0.00 173.10 171.50 3i6g s TYR 113 N -1.85 0.38 -0.34 1.90 1.51 -0.28 -4.87 117.35 113.80 3i6g s TYR 113 Ca 0.12 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3i6g s TYR 113 Cb -0.07 -0.24 0.19 0.00 -0.11 0.00 0.00 41.96 41.73 3i6g s TYR 113 CO 0.05 -0.12 0.64 -1.58 -1.11 0.00 0.00 175.55 173.42 3i6g s HIS 114 N -1.19 -1.72 0.21 2.71 2.46 -1.26 -2.05 115.29 114.45 3i6g s HIS 114 Ca -0.11 0.72 0.11 0.00 0.47 0.00 0.00 55.06 56.25 3i6g s HIS 114 Cb -0.08 0.30 -0.05 0.00 -0.13 0.00 0.00 32.58 32.62 3i6g s HIS 114 CO -0.00 -1.07 -0.23 -0.65 -2.47 0.00 0.00 174.74 170.33 3i6g s GLN 115 N 2.45 1.53 -0.02 2.88 -0.21 0.11 -1.95 119.66 124.45 3i6g s GLN 115 Ca 0.13 -1.57 0.01 0.00 0.02 0.00 0.00 55.36 53.95 3i6g s GLN 115 Cb -0.07 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.18 3i6g s GLN 115 CO -0.19 0.37 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.88 3i6g s TYR 116 N -1.91 0.29 0.09 0.91 5.04 -0.09 -1.31 117.35 120.37 3i6g s TYR 116 Ca 0.22 -0.02 0.07 0.00 -2.44 0.00 0.00 57.07 54.91 3i6g s TYR 116 Cb -0.07 -0.32 -0.03 0.00 0.35 0.00 0.00 41.96 41.89 3i6g s TYR 116 CO 0.11 -0.08 -0.19 0.00 -1.34 0.00 0.00 175.55 174.04 3i6g s ALA 117 N 0.64 1.63 -0.10 3.97 0.00 0.45 -0.95 121.76 127.40 3i6g s ALA 117 Ca -0.06 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.76 3i6g s ALA 117 Cb -0.09 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3i6g s ALA 117 CO -0.01 0.32 -0.15 -0.47 0.00 0.00 0.00 175.76 175.45 3i6g s TYR 118 N -1.14 1.90 -1.61 0.00 5.04 -0.10 -1.03 117.35 120.42 3i6g s TYR 118 Ca 0.04 -0.86 -0.15 0.00 -2.44 0.00 0.00 57.07 53.67 3i6g s TYR 118 Cb -0.10 -1.37 0.11 0.00 0.35 0.00 0.00 41.96 40.95 3i6g s TYR 118 CO 0.03 -0.44 0.83 -0.25 -1.34 0.00 0.00 175.55 174.38 3i6g n ASP 119 N 4.13 -3.54 -0.02 4.32 8.00 0.93 -1.85 116.55 128.51 3i6g n ASP 119 Ca -0.19 -0.92 -0.00 0.00 0.71 0.00 0.00 54.79 54.38 3i6g n ASP 119 Cb 0.51 -3.23 -0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3i6g n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6g n GLY 120 N -1.56 0.47 3.20 0.44 0.00 -1.26 -5.01 105.19 101.47 3i6g n GLY 120 Ca 0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3i6g n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6g s LYS 121 N -0.60 1.30 0.12 1.61 1.02 -0.77 -5.10 119.74 117.31 3i6g s LYS 121 Ca 0.00 -0.80 -0.35 0.00 0.02 0.00 0.00 55.97 54.84 3i6g s LYS 121 Cb 0.00 -1.34 -0.17 0.00 -0.52 0.00 0.00 37.83 35.80 3i6g s LYS 121 CO 0.00 0.35 1.12 -0.25 -0.92 0.00 0.00 175.35 175.65 3i6g n ASP 122 N 2.10 0.88 0.01 2.83 8.00 -1.26 -0.93 116.55 128.19 3i6g n ASP 122 Ca -0.17 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.46 3i6g n ASP 122 Cb 0.54 -1.12 -0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3i6g n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6g n TYR 123 N 1.59 0.00 -3.85 1.24 9.36 -0.13 -4.71 117.16 120.67 3i6g n TYR 123 Ca 0.17 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 3i6g n TYR 123 Cb 0.20 -0.05 -0.11 0.00 -0.63 0.00 0.00 39.34 38.75 3i6g n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3i6g s ILE 124 N -1.62 0.05 -0.08 2.97 2.07 -1.13 -1.24 121.20 122.22 3i6g s ILE 124 Ca -0.03 -0.44 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 3i6g s ILE 124 Cb 0.00 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.25 3i6g s ILE 124 CO 0.04 -0.24 0.19 0.00 -1.91 0.00 0.00 174.94 173.02 3i6g s ALA 125 N -0.86 -0.44 0.20 1.50 0.00 -0.88 -0.91 121.76 120.38 3i6g s ALA 125 Ca -0.09 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 3i6g s ALA 125 Cb -0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 3i6g s ALA 125 CO 0.01 -0.13 1.43 -1.17 0.00 0.00 0.00 175.76 175.90 3i6g s LEU 126 N 0.67 4.39 0.75 0.00 2.96 -0.82 -0.21 118.68 126.41 3i6g s LEU 126 Ca -0.05 2.56 -0.12 0.00 -0.22 0.00 0.00 54.13 56.31 3i6g s LEU 126 Cb -0.06 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.06 3i6g s LEU 126 CO -0.04 -0.69 1.11 -0.54 -1.32 0.00 0.00 176.35 174.88 3i6g s LYS 127 N 0.19 2.52 0.34 1.98 1.02 0.51 -4.64 119.74 121.66 3i6g s LYS 127 Ca 0.62 0.44 0.12 0.00 0.02 0.00 0.00 55.97 57.16 3i6g s LYS 127 Cb -0.41 -1.98 0.93 0.00 -0.52 0.00 0.00 37.83 35.85 3i6g s LYS 127 CO 0.38 -1.27 1.75 0.93 -0.92 0.00 0.00 175.35 176.22 3i6g h GLU 128 N -0.83 0.54 0.00 1.68 5.08 -1.89 0.47 114.58 119.64 3i6g h GLU 128 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3i6g h GLU 128 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i6g h GLU 128 CO 0.63 0.36 0.00 -0.40 -1.00 0.00 0.00 179.01 178.60 3i6g n ASP 129 N -4.79 0.00 -2.56 1.42 5.68 -1.26 -4.79 116.55 110.24 3i6g n ASP 129 Ca 0.26 0.09 -0.18 0.00 -0.50 0.00 0.00 54.79 54.45 3i6g n ASP 129 Cb 0.75 -0.31 -0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3i6g n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3i6g n LEU 130 N -1.31 -1.77 0.00 -2.12 4.77 0.16 -4.78 117.00 111.96 3i6g n LEU 130 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i6g n LEU 130 Cb 0.14 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 3i6g n LEU 130 CO 0.13 -0.10 -0.11 0.54 -1.33 0.00 0.00 177.39 176.52 3i6g n ARG 131 N -3.14 3.40 -4.20 3.23 1.74 -1.26 -4.58 116.66 111.85 3i6g n ARG 131 Ca -0.18 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.78 3i6g n ARG 131 Cb 0.64 -0.48 -0.10 0.00 -1.02 0.00 0.00 32.46 31.50 3i6g n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i6g s SER 132 N -0.78 1.19 0.12 0.55 1.04 -1.26 -4.93 113.70 109.62 3i6g s SER 132 Ca 0.00 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 55.44 3i6g s SER 132 Cb 0.00 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3i6g s SER 132 CO 0.00 -0.51 -0.19 0.26 0.98 0.00 0.00 173.24 173.78 3i6g s TRP 133 N -3.63 2.51 -0.39 5.02 0.52 -1.26 -0.36 118.94 121.34 3i6g s TRP 133 Ca 0.17 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.98 3i6g s TRP 133 Cb 0.05 -1.34 0.09 0.00 -1.15 0.00 0.00 33.47 31.13 3i6g s TRP 133 CO -0.01 0.38 0.17 0.99 0.02 0.00 0.00 176.95 178.50 3i6g s THR 134 N -1.13 3.40 -0.11 2.01 2.01 0.71 -4.88 115.64 117.65 3i6g s THR 134 Ca 0.17 -1.81 -0.20 0.00 0.31 0.00 0.00 61.69 60.17 3i6g s THR 134 Cb -0.10 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 3i6g s THR 134 CO 0.09 -0.54 0.54 0.00 -0.69 0.00 0.00 174.62 174.02 3i6g s ALA 135 N 1.21 3.44 0.16 7.40 0.00 -1.26 -2.06 121.76 130.65 3i6g s ALA 135 Ca 0.05 -0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.00 3i6g s ALA 135 Cb -0.22 -2.74 0.15 0.00 0.00 0.00 0.00 23.12 20.30 3i6g s ALA 135 CO -0.02 -0.06 1.48 0.00 0.00 0.00 0.00 175.76 177.16 3i6g h ALA 136 N 6.79 0.71 -2.37 0.00 0.00 -1.46 -3.46 119.26 119.46 3i6g h ALA 136 Ca -0.40 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3i6g h ALA 136 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i6g h ALA 136 CO 0.76 0.91 0.00 -0.40 0.00 0.00 0.00 179.25 180.51 3i6g n ASP 137 N -3.55 0.00 -0.03 0.00 5.68 -1.26 -5.03 116.55 112.36 3i6g n ASP 137 Ca -0.00 -0.86 -0.13 0.00 -0.50 0.00 0.00 54.79 53.29 3i6g n ASP 137 Cb 0.74 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.71 3i6g n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3i6g h MET 138 N 0.00 0.71 -0.30 0.11 2.86 -1.99 -0.92 114.93 115.40 3i6g h MET 138 Ca 0.00 -0.48 0.06 0.00 -2.06 0.00 0.00 59.70 57.22 3i6g h MET 138 Cb 0.00 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 3i6g h MET 138 CO 0.00 1.10 -0.36 0.00 1.06 0.00 0.00 176.91 178.71 3i6g h ALA 139 N 0.78 -0.34 0.00 6.32 0.00 -1.97 -1.65 119.26 122.40 3i6g h ALA 139 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i6g h ALA 139 Cb 1.20 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3i6g h ALA 139 CO 0.12 -0.80 -0.20 0.00 0.00 0.00 0.00 179.25 178.37 3i6g h ALA 140 N 0.51 1.60 -0.52 0.00 0.00 -1.79 -1.11 119.26 117.96 3i6g h ALA 140 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i6g h ALA 140 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3i6g h ALA 140 CO -0.49 0.25 0.23 1.96 0.00 0.00 0.00 179.25 181.20 3i6g h GLN 141 N 0.00 0.73 -0.35 0.00 1.08 -0.27 0.30 115.11 116.60 3i6g h GLN 141 Ca -0.00 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3i6g h GLN 141 Cb 0.37 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3i6g h GLN 141 CO 0.03 0.58 0.19 1.15 -0.95 0.00 0.00 178.83 179.82 3i6g h THR 142 N 0.73 1.15 -0.62 -0.54 2.02 -0.47 -0.96 112.91 114.21 3i6g h THR 142 Ca 0.18 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3i6g h THR 142 Cb 0.11 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3i6g h THR 142 CO -0.02 0.15 0.34 0.74 0.37 0.00 0.00 175.52 177.10 3i6g h THR 143 N 0.44 1.20 -0.48 3.16 2.02 -1.17 -2.17 112.91 115.90 3i6g h THR 143 Ca 0.12 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3i6g h THR 143 Cb 0.07 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 3i6g h THR 143 CO -0.02 0.21 0.22 0.50 0.37 0.00 0.00 175.52 176.80 3i6g h LYS 144 N 0.84 0.41 -0.21 6.66 3.64 -0.14 0.82 116.57 128.59 3i6g h LYS 144 Ca 0.22 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 3i6g h LYS 144 Cb 0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3i6g h LYS 144 CO -0.04 0.27 -0.39 0.45 -2.27 0.00 0.00 179.45 177.48 3i6g h HIS 145 N 0.43 0.57 -0.24 1.91 3.86 -1.06 0.19 115.15 120.80 3i6g h HIS 145 Ca 0.22 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3i6g h HIS 145 Cb 0.17 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3i6g h HIS 145 CO -0.12 0.81 0.11 -0.22 0.86 0.00 0.00 177.93 179.36 3i6g h LYS 146 N 0.40 0.36 0.00 2.45 3.64 -0.84 -1.20 116.57 121.39 3i6g h LYS 146 Ca 0.04 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3i6g h LYS 146 Cb 0.86 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3i6g h LYS 146 CO 0.07 0.38 -0.45 -1.49 -2.27 0.00 0.00 179.45 175.69 3i6g h TRP 147 N 0.25 0.00 -0.37 1.91 6.55 -0.65 -1.36 115.95 122.29 3i6g h TRP 147 Ca 0.08 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.82 3i6g h TRP 147 Cb 0.15 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 3i6g h TRP 147 CO -0.02 0.45 -0.20 0.93 -1.05 0.00 0.00 178.44 178.55 3i6g h GLU 148 N 0.00 0.72 -0.06 0.49 5.08 -0.82 -0.60 114.58 119.39 3i6g h GLU 148 Ca -0.00 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 3i6g h GLU 148 Cb 1.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3i6g h GLU 148 CO 0.06 0.87 -0.68 0.00 -1.00 0.00 0.00 179.01 178.26 3i6g h ALA 149 N 1.14 0.73 -0.06 3.43 0.00 -0.73 -2.80 119.26 120.97 3i6g h ALA 149 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i6g h ALA 149 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i6g h ALA 149 CO 0.05 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.07 3i6g n ALA 150 N -2.48 2.57 -3.81 0.00 0.00 -0.56 -4.94 120.51 111.29 3i6g n ALA 150 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 3i6g n ALA 150 Cb 0.67 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.98 3i6g n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i6g n HIS 151 N 0.12 -2.05 -0.17 0.00 -0.00 -0.50 -4.89 115.22 107.74 3i6g n HIS 151 Ca 0.18 0.86 -0.09 0.00 -0.00 0.00 0.00 57.72 58.67 3i6g n HIS 151 Cb 0.32 -4.18 0.05 0.00 -0.00 0.00 0.00 29.99 26.19 3i6g n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i6g h VAL 152 N -1.96 1.27 -0.66 1.59 2.07 -1.44 -3.23 116.25 113.89 3i6g h VAL 152 Ca -0.60 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 65.76 3i6g h VAL 152 Cb 1.37 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3i6g h VAL 152 CO 0.61 0.43 0.35 0.00 0.02 0.00 0.00 177.57 178.99 3i6g h ALA 153 N 1.01 0.89 -0.33 1.67 0.00 -1.90 0.17 119.26 120.77 3i6g h ALA 153 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3i6g h ALA 153 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i6g h ALA 153 CO 0.04 0.00 -0.21 1.05 0.00 0.00 0.00 179.25 180.14 3i6g h GLU 154 N 0.64 0.62 -0.12 0.00 4.11 -1.82 0.24 114.58 118.26 3i6g h GLU 154 Ca 0.31 -0.23 -0.18 0.00 0.07 0.00 0.00 59.36 59.32 3i6g h GLU 154 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3i6g h GLU 154 CO -0.21 0.78 -0.69 1.96 0.07 0.00 0.00 179.01 180.92 3i6g h GLN 155 N 0.55 0.50 -0.37 1.06 4.20 -1.39 -2.70 115.11 116.96 3i6g h GLN 155 Ca 0.08 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 3i6g h GLN 155 Cb 0.66 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3i6g h GLN 155 CO 0.05 1.01 0.04 -0.07 -0.67 0.00 0.00 178.83 179.19 3i6g h LEU 156 N 0.35 0.61 -0.93 1.46 3.38 -0.31 -2.99 115.31 116.89 3i6g h LEU 156 Ca -0.02 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3i6g h LEU 156 Cb 1.27 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3i6g h LEU 156 CO 0.13 0.73 0.60 -0.09 0.09 0.00 0.00 178.44 179.89 3i6g h ARG 157 N 0.46 1.08 -0.44 1.13 2.43 -0.47 0.62 114.38 119.19 3i6g h ARG 157 Ca 0.11 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3i6g h ARG 157 Cb 0.40 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3i6g h ARG 157 CO 0.01 0.71 -0.05 0.00 -1.51 0.00 0.00 179.97 179.14 3i6g h ALA 158 N 1.41 1.08 -0.15 2.80 0.00 -1.45 0.45 119.26 123.40 3i6g h ALA 158 Ca 0.39 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i6g h ALA 158 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i6g h ALA 158 CO -0.16 0.57 -0.33 -0.92 0.00 0.00 0.00 179.25 178.42 3i6g h TYR 159 N 0.70 0.63 -0.45 0.00 3.20 -1.24 -2.06 116.97 117.74 3i6g h TYR 159 Ca 0.13 -0.23 -0.11 0.00 3.14 0.00 0.00 58.73 61.66 3i6g h TYR 159 Cb 0.50 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3i6g h TYR 159 CO 0.02 0.96 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.27 3i6g h LEU 160 N 0.12 0.87 0.00 2.82 3.38 -0.61 0.23 115.31 122.12 3i6g h LEU 160 Ca 0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3i6g h LEU 160 Cb 0.93 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i6g h LEU 160 CO 0.07 1.02 -0.99 -0.33 0.09 0.00 0.00 178.44 178.31 3i6g h GLU 161 N 0.77 0.00 0.00 1.13 5.08 -1.02 -3.37 114.58 117.16 3i6g h GLU 161 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3i6g h GLU 161 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3i6g h GLU 161 CO 0.05 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3i6g n GLY 162 N 1.25 0.01 0.20 -3.84 0.00 -0.78 -4.59 105.19 97.45 3i6g n GLY 162 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 3i6g n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i6g h THR 163 N 0.00 0.64 -0.65 2.61 2.02 -1.52 -1.30 112.91 114.71 3i6g h THR 163 Ca 0.00 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.18 3i6g h THR 163 Cb 0.00 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 3i6g h THR 163 CO 0.00 0.03 0.37 0.00 0.37 0.00 0.00 175.52 176.29 3i6g h VAL 165 N 0.69 1.26 -0.31 0.00 2.07 -1.54 -1.42 116.25 117.01 3i6g h VAL 165 Ca 0.29 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3i6g h VAL 165 Cb 0.15 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3i6g h VAL 165 CO -0.16 0.40 0.07 -0.33 0.02 0.00 0.00 177.57 177.56 3i6g h GLU 166 N 0.89 0.18 -0.28 1.57 5.08 -0.66 -0.53 114.58 120.83 3i6g h GLU 166 Ca 0.16 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3i6g h GLU 166 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3i6g h GLU 166 CO 0.03 0.12 0.15 -1.49 -1.00 0.00 0.00 179.01 176.82 3i6g h TRP 167 N 0.18 0.29 -0.40 4.33 -0.00 -0.97 -1.06 115.95 118.33 3i6g h TRP 167 Ca 0.14 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 3i6g h TRP 167 Cb 0.15 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.19 3i6g h TRP 167 CO -0.17 0.17 0.23 1.25 -0.00 0.00 0.00 178.44 179.91 3i6g h LEU 168 N 0.32 0.36 -0.55 -4.49 5.85 -0.87 0.88 115.31 116.81 3i6g h LEU 168 Ca 0.11 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3i6g h LEU 168 Cb 0.01 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3i6g h LEU 168 CO -0.06 0.26 0.28 0.03 -0.34 0.00 0.00 178.44 178.61 3i6g h ARG 169 N 0.46 0.52 -0.37 1.25 3.08 -0.94 -0.08 114.38 118.30 3i6g h ARG 169 Ca 0.16 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3i6g h ARG 169 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3i6g h ARG 169 CO -0.09 0.34 0.15 -0.09 -1.07 0.00 0.00 179.97 179.22 3i6g h ARG 170 N 0.54 0.55 -0.53 0.04 2.43 -0.31 -2.36 114.38 114.74 3i6g h ARG 170 Ca 0.25 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3i6g h ARG 170 Cb 0.16 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3i6g h ARG 170 CO -0.17 0.53 -0.10 1.88 -1.51 0.00 0.00 179.97 180.59 3i6g h TYR 171 N 0.45 1.12 -0.79 2.20 0.05 -0.61 -1.68 116.97 117.70 3i6g h TYR 171 Ca 0.12 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3i6g h TYR 171 Cb 0.18 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 3i6g h TYR 171 CO -0.00 1.04 0.50 -0.07 -1.05 0.00 0.00 178.16 178.58 3i6g h LEU 172 N 0.87 0.92 0.75 3.88 3.38 -0.90 0.15 115.31 124.36 3i6g h LEU 172 Ca 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3i6g h LEU 172 Cb 0.67 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3i6g h LEU 172 CO 0.05 0.69 -0.36 -0.33 0.09 0.00 0.00 178.44 178.58 3i6g h GLU 173 N 1.07 -0.97 -0.03 1.13 4.39 -1.28 -0.58 114.58 118.32 3i6g h GLU 173 Ca 0.29 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.06 3i6g h GLU 173 Cb -0.08 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3i6g h GLU 173 CO -0.06 -0.65 0.02 -0.91 -1.16 0.00 0.00 179.01 176.26 3i6g h ASN 174 N -1.05 0.00 -0.62 1.42 -0.26 -1.21 -0.11 115.58 113.74 3i6g h ASN 174 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3i6g h ASN 174 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3i6g h ASN 174 CO 0.17 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.15 3i6g n GLY 175 N -1.53 2.86 0.40 2.83 0.00 0.50 -4.66 105.19 105.58 3i6g n GLY 175 Ca -0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 3i6g n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i6g h LYS 176 N 4.11 -0.08 -0.46 1.61 3.64 0.66 0.45 116.57 126.51 3i6g h LYS 176 Ca 0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3i6g h LYS 176 Cb 1.73 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.55 3i6g h LYS 176 CO 0.37 -0.05 0.53 0.93 -2.27 0.00 0.00 179.45 178.96 3i6g h GLU 177 N -0.08 0.00 0.00 1.90 5.08 -1.83 -2.05 114.58 117.60 3i6g h GLU 177 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3i6g h GLU 177 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i6g h GLU 177 CO -0.87 0.00 -0.92 0.25 -1.00 0.00 0.00 179.01 176.47 3i6g n THR 178 N -3.61 0.00 -0.29 1.13 -2.24 -0.45 -4.56 114.28 104.26 3i6g n THR 178 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 3i6g n THR 178 Cb 0.72 -1.23 0.14 0.00 -2.10 0.00 0.00 70.33 67.85 3i6g n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i6g h LEU 179 N 0.00 1.04 -3.03 3.22 3.38 -0.20 -2.40 115.31 117.32 3i6g h LEU 179 Ca 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3i6g h LEU 179 Cb 0.92 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3i6g h LEU 179 CO 0.00 0.82 0.16 0.00 0.09 0.00 0.00 178.44 179.51 3i6g n GLN 180 N -4.35 3.17 -3.87 1.13 6.02 -0.77 -4.90 117.38 113.81 3i6g n GLN 180 Ca 0.09 -2.22 -0.32 0.00 -0.01 0.00 0.00 57.00 54.54 3i6g n GLN 180 Cb 0.09 -1.98 -0.04 0.00 1.02 0.00 0.00 30.24 29.32 3i6g n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i6g s ARG 181 N -2.29 3.48 -0.10 -1.09 1.70 -0.90 -4.99 118.95 114.75 3i6g s ARG 181 Ca 0.40 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 3i6g s ARG 181 Cb 0.31 -3.02 -0.02 0.00 -0.57 0.00 0.00 34.95 31.65 3i6g s ARG 181 CO 0.10 0.60 -0.11 0.95 -1.08 0.00 0.00 175.30 175.76 3i6g s THR 182 N -1.49 3.27 -0.41 4.99 -4.23 -1.26 -4.64 115.64 111.87 3i6g s THR 182 Ca 0.34 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 3i6g s THR 182 Cb -0.13 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.46 3i6g s THR 182 CO 0.25 0.55 0.22 -1.81 -0.54 0.00 0.00 174.62 173.30 3i6g s ASP 183 N -0.11 5.37 0.51 3.99 1.01 0.31 -4.95 116.67 122.80 3i6g s ASP 183 Ca -0.01 -1.88 -0.23 0.00 0.71 0.00 0.00 52.55 51.15 3i6g s ASP 183 Cb -0.14 -1.88 -0.06 0.00 1.01 0.00 0.00 42.92 41.86 3i6g s ASP 183 CO 0.03 -0.55 1.30 0.00 0.21 0.00 0.00 175.17 176.16 3i6g s ALA 184 N 1.23 2.92 0.24 5.23 0.00 -1.26 -1.34 121.76 128.78 3i6g s ALA 184 Ca 0.06 1.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 3i6g s ALA 184 Cb -0.23 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 3i6g s ALA 184 CO -0.02 -1.12 1.54 -2.14 0.00 0.00 0.00 175.76 174.02 3i6g s PRO 185 N -2.77 4.20 -0.26 0.00 0.02 -1.26 -4.57 135.00 130.36 3i6g s PRO 185 Ca 0.68 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.89 3i6g s PRO 185 Cb -0.37 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 3i6g s PRO 185 CO 0.45 -0.56 0.77 0.15 -0.33 0.00 0.00 177.00 177.48 3i6g s LYS 186 N 0.10 4.11 0.26 5.54 1.02 -0.34 -4.85 119.74 125.59 3i6g s LYS 186 Ca 0.65 0.76 0.10 0.00 0.02 0.00 0.00 55.97 57.50 3i6g s LYS 186 Cb -0.45 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 3i6g s LYS 186 CO 0.41 -0.53 -0.09 0.95 -0.92 0.00 0.00 175.35 175.16 3i6g s THR 187 N 2.79 3.04 0.11 2.17 -4.23 -1.26 -1.50 115.64 116.76 3i6g s THR 187 Ca 0.32 -2.08 -0.26 0.00 -1.18 0.00 0.00 61.69 58.50 3i6g s THR 187 Cb -0.15 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.17 3i6g s THR 187 CO 0.09 -0.35 1.07 -1.38 -0.54 0.00 0.00 174.62 173.50 3i6g s HIS 188 N -2.32 -0.06 0.09 3.99 -3.43 -1.09 -5.00 115.29 107.46 3i6g s HIS 188 Ca 0.30 -0.21 0.05 0.00 -0.80 0.00 0.00 55.06 54.41 3i6g s HIS 188 Cb -0.06 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.68 3i6g s HIS 188 CO 0.17 -0.69 -0.14 1.41 -2.00 0.00 0.00 174.74 173.49 3i6g s MET 189 N -2.81 0.88 0.12 -0.38 1.75 -1.26 -0.18 119.30 117.41 3i6g s MET 189 Ca 0.15 -1.04 0.04 0.00 -1.25 0.00 0.00 55.69 53.59 3i6g s MET 189 Cb -0.00 -0.84 -0.04 0.00 2.84 0.00 0.00 34.83 36.79 3i6g s MET 189 CO 0.01 0.18 -0.10 0.95 -0.65 0.00 0.00 175.02 175.41 3i6g s THR 190 N -1.56 1.01 -0.10 10.11 -4.23 -0.21 -4.97 115.64 115.69 3i6g s THR 190 Ca 0.01 -1.86 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 3i6g s THR 190 Cb -0.08 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.19 3i6g s THR 190 CO 0.02 -0.68 0.23 -2.28 -0.54 0.00 0.00 174.62 171.38 3i6g s HIS 191 N -2.97 -0.31 0.03 3.99 5.04 -1.26 -0.38 115.29 119.43 3i6g s HIS 191 Ca 0.11 0.75 0.03 0.00 -1.54 0.00 0.00 55.06 54.41 3i6g s HIS 191 Cb 0.00 0.03 -0.02 0.00 0.04 0.00 0.00 32.58 32.64 3i6g s HIS 191 CO -0.00 -0.23 -0.10 -1.01 -2.34 0.00 0.00 174.74 171.06 3i6g s HIS 192 N 1.25 0.90 -0.34 3.88 3.76 -0.95 -5.00 115.29 118.79 3i6g s HIS 192 Ca -0.09 -0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.20 3i6g s HIS 192 Cb -0.11 -0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.06 3i6g s HIS 192 CO -0.08 -0.01 1.13 0.00 -0.85 0.00 0.00 174.74 174.93 3i6g s ALA 193 N -0.82 3.41 -0.01 -1.40 0.00 -1.26 -1.45 121.76 120.23 3i6g s ALA 193 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3i6g s ALA 193 Cb -0.07 -3.73 -0.00 0.00 0.00 0.00 0.00 23.12 19.31 3i6g s ALA 193 CO 0.01 -1.68 0.18 0.28 0.00 0.00 0.00 175.76 174.54 3i6g h VAL 194 N 5.87 0.00 -1.95 0.00 2.07 -1.87 -3.48 116.25 116.88 3i6g h VAL 194 Ca -0.22 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3i6g h VAL 194 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3i6g h VAL 194 CO 1.05 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.10 3i6g n SER 195 N -2.32 0.72 0.10 0.57 3.41 -1.24 -5.00 113.62 109.87 3i6g n SER 195 Ca -0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3i6g n SER 195 Cb 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3i6g n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3i6g h ASP 196 N 0.00 0.00 0.00 4.04 3.04 -2.03 -3.38 116.42 118.09 3i6g h ASP 196 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3i6g h ASP 196 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3i6g h ASP 196 CO 0.00 0.77 -0.87 0.00 -2.04 0.00 0.00 179.24 177.10 3i6g n HIS 197 N -3.34 0.00 -4.19 4.15 1.44 -1.26 -4.89 115.22 107.13 3i6g n HIS 197 Ca 0.01 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.45 3i6g n HIS 197 Cb 0.83 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.79 3i6g n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3i6g s GLU 198 N -2.16 2.23 -0.04 -1.40 2.02 -1.26 0.53 118.70 118.61 3i6g s GLU 198 Ca 0.00 -2.02 -0.29 0.00 0.02 0.00 0.00 54.97 52.68 3i6g s GLU 198 Cb 0.06 -1.92 0.11 0.00 0.10 0.00 0.00 34.13 32.48 3i6g s GLU 198 CO 0.34 -0.33 0.90 0.00 0.02 0.00 0.00 175.26 176.19 3i6g s ALA 199 N -2.72 -1.84 -0.12 5.21 0.00 0.17 -3.12 121.76 119.34 3i6g s ALA 199 Ca 0.31 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 3i6g s ALA 199 Cb 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3i6g s ALA 199 CO 0.18 -0.58 -0.08 0.99 0.00 0.00 0.00 175.76 176.26 3i6g s THR 200 N -2.56 3.56 -0.17 0.00 2.01 -0.53 0.14 115.64 118.09 3i6g s THR 200 Ca 0.03 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3i6g s THR 200 Cb -0.01 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3i6g s THR 200 CO -0.06 0.54 0.01 -0.76 -0.69 0.00 0.00 174.62 173.66 3i6g s LEU 201 N -0.05 3.50 -0.25 4.42 1.43 -0.33 -2.25 118.68 125.15 3i6g s LEU 201 Ca -0.00 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3i6g s LEU 201 Cb -0.13 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.27 3i6g s LEU 201 CO 0.03 0.16 -0.12 -0.60 0.23 0.00 0.00 176.35 176.05 3i6g s ARG 202 N 0.45 2.31 -0.07 1.70 3.52 0.49 -0.83 118.95 126.52 3i6g s ARG 202 Ca -0.00 -1.27 -0.25 0.00 -0.13 0.00 0.00 55.73 54.08 3i6g s ARG 202 Cb -0.13 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3i6g s ARG 202 CO 0.02 -0.53 0.77 0.00 -0.81 0.00 0.00 175.30 174.76 3i6g s TRP 204 N 1.08 2.93 -0.12 0.00 0.52 0.74 -1.52 118.94 122.58 3i6g s TRP 204 Ca 0.40 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.44 3i6g s TRP 204 Cb -0.18 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3i6g s TRP 204 CO 0.19 0.23 -0.11 0.00 0.02 0.00 0.00 176.95 177.28 3i6g s ALA 205 N -0.54 1.51 0.14 0.98 0.00 -0.22 -2.67 121.76 120.96 3i6g s ALA 205 Ca 0.08 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.45 3i6g s ALA 205 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3i6g s ALA 205 CO 0.02 -0.33 -0.14 -0.51 0.00 0.00 0.00 175.76 174.80 3i6g s LEU 206 N 1.48 2.45 -1.50 0.00 1.43 -0.56 -1.53 118.68 120.45 3i6g s LEU 206 Ca 0.02 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 3i6g s LEU 206 Cb -0.13 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.53 3i6g s LEU 206 CO -0.07 -0.16 0.42 -0.24 0.23 0.00 0.00 176.35 176.52 3i6g n SER 207 N 0.24 -5.44 -4.91 2.29 2.88 -0.97 -1.19 113.62 106.52 3i6g n SER 207 Ca -0.13 -0.21 -0.23 0.00 -1.33 0.00 0.00 58.87 56.97 3i6g n SER 207 Cb 0.58 -4.45 -0.03 0.00 -0.75 0.00 0.00 64.21 59.56 3i6g n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i6g s PHE 208 N -3.05 3.34 -0.25 0.66 -0.12 -1.06 -4.70 117.98 112.80 3i6g s PHE 208 Ca 0.24 -0.01 -0.20 0.00 -0.05 0.00 0.00 56.93 56.91 3i6g s PHE 208 Cb -0.11 -1.55 0.07 0.00 -0.63 0.00 0.00 43.02 40.80 3i6g s PHE 208 CO 0.29 0.49 0.65 -0.47 -0.05 0.00 0.00 175.22 176.13 3i6g s TYR 209 N -1.93 -0.80 0.87 3.49 5.04 -0.45 -0.50 117.35 123.08 3i6g s TYR 209 Ca 0.33 1.82 -0.15 0.00 -2.44 0.00 0.00 57.07 56.64 3i6g s TYR 209 Cb -0.09 0.35 0.21 0.00 0.35 0.00 0.00 41.96 42.78 3i6g s TYR 209 CO 0.27 -0.39 0.80 -0.35 -1.34 0.00 0.00 175.55 174.54 3i6g n PRO 210 N 3.23 -2.41 0.06 4.97 -0.04 -1.26 -0.53 135.00 139.03 3i6g n PRO 210 Ca -0.16 -1.28 -0.04 0.00 -0.04 0.00 0.00 63.50 61.98 3i6g n PRO 210 Cb 0.56 -1.16 0.16 0.00 -0.04 0.00 0.00 33.50 33.02 3i6g n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i6g h ALA 211 N -2.47 0.96 -2.15 0.55 0.00 -1.95 -3.45 119.26 110.75 3i6g h ALA 211 Ca -0.30 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 53.56 3i6g h ALA 211 Cb 0.90 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.64 3i6g h ALA 211 CO 0.20 0.64 0.94 -1.91 0.00 0.00 0.00 179.25 179.12 3i6g n GLU 212 N -3.98 2.17 -3.47 0.00 4.07 -1.26 -4.95 120.64 113.21 3i6g n GLU 212 Ca -0.02 0.79 -0.13 0.00 -0.06 0.00 0.00 57.16 57.74 3i6g n GLU 212 Cb 0.53 -2.60 -0.03 0.00 -0.06 0.00 0.00 31.44 29.28 3i6g n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3i6g s ILE 213 N 2.46 0.00 -0.09 6.31 2.07 -1.26 -4.65 121.20 126.04 3i6g s ILE 213 Ca 0.86 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.09 3i6g s ILE 213 Cb -0.68 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.93 3i6g s ILE 213 CO 0.44 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.55 3i6g s THR 214 N -2.78 0.64 -0.18 4.00 2.01 -0.51 -5.00 115.64 113.81 3i6g s THR 214 Ca -0.01 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 3i6g s THR 214 Cb -0.01 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3i6g s THR 214 CO -0.05 0.30 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.35 3i6g s LEU 215 N 1.83 2.91 -0.01 4.42 1.43 -1.26 -1.21 118.68 126.79 3i6g s LEU 215 Ca 0.04 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3i6g s LEU 215 Cb -0.12 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3i6g s LEU 215 CO -0.06 0.07 -0.07 0.42 0.23 0.00 0.00 176.35 176.94 3i6g s THR 216 N 0.95 0.57 0.11 5.49 -4.23 -0.48 -4.97 115.64 113.07 3i6g s THR 216 Ca -0.01 -0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.17 3i6g s THR 216 Cb -0.15 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 3i6g s THR 216 CO 0.00 0.18 0.36 0.26 -0.54 0.00 0.00 174.62 174.88 3i6g s TRP 217 N 0.09 3.51 0.01 3.99 0.52 -1.26 0.23 118.94 126.02 3i6g s TRP 217 Ca -0.01 0.59 0.01 0.00 0.02 0.00 0.00 56.10 56.71 3i6g s TRP 217 Cb -0.06 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 3i6g s TRP 217 CO -0.00 0.48 -0.03 -0.65 0.02 0.00 0.00 176.95 176.77 3i6g s GLN 218 N -2.37 0.27 -0.17 4.98 -0.21 0.62 -2.97 119.66 119.82 3i6g s GLN 218 Ca 0.37 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.44 3i6g s GLN 218 Cb -0.13 -0.14 0.01 0.00 1.00 0.00 0.00 33.01 33.76 3i6g s GLN 218 CO 0.22 0.03 -0.18 0.50 -2.12 0.00 0.00 175.29 173.74 3i6g s ARG 219 N -0.64 3.10 -1.47 2.91 3.52 -1.14 -0.30 118.95 124.94 3i6g s ARG 219 Ca -0.05 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 54.69 3i6g s ARG 219 Cb -0.05 -2.59 0.05 0.00 -1.56 0.00 0.00 34.95 30.80 3i6g s ARG 219 CO -0.00 -0.09 0.69 -0.25 -0.81 0.00 0.00 175.30 174.84 3i6g n ASP 220 N 4.32 -2.12 0.00 -2.12 8.00 -1.06 -2.93 116.55 120.64 3i6g n ASP 220 Ca -0.20 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3i6g n ASP 220 Cb 0.51 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 3i6g n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6g n GLY 221 N -1.71 0.33 3.78 0.44 0.00 -1.26 -4.97 105.19 101.80 3i6g n GLY 221 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3i6g n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i6g s GLU 222 N -0.75 2.20 0.94 1.61 -1.05 -1.15 -5.08 118.70 115.42 3i6g s GLU 222 Ca 0.00 -2.28 -0.12 0.00 -0.15 0.00 0.00 54.97 52.42 3i6g s GLU 222 Cb 0.00 -1.67 0.16 0.00 -0.44 0.00 0.00 34.13 32.17 3i6g s GLU 222 CO 0.00 -0.39 1.09 0.16 0.95 0.00 0.00 175.26 177.07 3i6g s ASP 223 N -3.95 3.04 -0.47 0.83 -4.77 -1.26 -2.88 116.67 107.20 3i6g s ASP 223 Ca 0.15 1.42 0.04 0.00 -3.30 0.00 0.00 52.55 50.86 3i6g s ASP 223 Cb 0.01 -2.10 0.22 0.00 -1.09 0.00 0.00 42.92 39.97 3i6g s ASP 223 CO 0.08 -2.90 0.88 1.67 0.70 0.00 0.00 175.17 175.60 3i6g n GLN 224 N -4.05 0.54 -0.57 2.11 -0.06 -1.16 -4.30 117.38 109.90 3i6g n GLN 224 Ca 0.06 -1.66 0.09 0.00 -2.00 0.00 0.00 57.00 53.50 3i6g n GLN 224 Cb 0.56 -1.18 0.34 0.00 -4.06 0.00 0.00 30.24 25.90 3i6g n GLN 224 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3i6g n THR 225 N 2.29 1.74 -4.38 1.69 -2.24 -1.26 -4.56 114.28 107.55 3i6g n THR 225 Ca 0.12 -1.20 -0.35 0.00 -2.27 0.00 0.00 64.05 60.36 3i6g n THR 225 Cb 0.61 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 3i6g n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i6g s GLN 226 N -1.76 3.09 -1.09 -0.78 -0.21 -1.26 -4.33 119.66 113.31 3i6g s GLN 226 Ca 0.50 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.45 3i6g s GLN 226 Cb 0.31 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.52 3i6g s GLN 226 CO 0.25 0.63 0.00 -0.25 -2.12 0.00 0.00 175.29 173.79 3i6g n ASP 227 N 2.37 -4.02 -4.58 5.90 9.92 -1.26 -4.85 116.55 120.03 3i6g n ASP 227 Ca -0.18 0.12 -0.38 0.00 -0.53 0.00 0.00 54.79 53.81 3i6g n ASP 227 Cb 0.53 -2.92 -0.11 0.00 -0.64 0.00 0.00 41.12 37.98 3i6g n ASP 227 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3i6g s THR 228 N -2.51 5.29 -0.38 -3.53 -1.32 -1.26 -2.71 115.64 109.22 3i6g s THR 228 Ca 0.00 0.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.65 3i6g s THR 228 Cb 0.00 -3.58 0.11 0.00 -1.51 0.00 0.00 72.50 67.52 3i6g s THR 228 CO 0.00 0.20 0.10 -0.70 -2.21 0.00 0.00 174.62 172.01 3i6g s GLU 229 N 1.78 1.61 -0.16 7.08 2.12 0.20 -4.96 118.70 126.36 3i6g s GLU 229 Ca 0.07 -2.05 -0.18 0.00 0.36 0.00 0.00 54.97 53.18 3i6g s GLU 229 Cb -0.16 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 3i6g s GLU 229 CO 0.11 -0.98 0.48 -0.51 -0.54 0.00 0.00 175.26 173.81 3i6g s LEU 230 N 0.64 4.21 0.17 2.70 1.43 -1.26 -1.19 118.68 125.39 3i6g s LEU 230 Ca 0.12 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 3i6g s LEU 230 Cb -0.21 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 3i6g s LEU 230 CO -0.06 -0.07 0.45 0.68 0.23 0.00 0.00 176.35 177.58 3i6g s VAL 231 N 1.06 5.07 0.34 -1.59 -7.23 -1.15 -5.05 120.40 111.86 3i6g s VAL 231 Ca 0.24 0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 60.37 3i6g s VAL 231 Cb -0.15 -3.62 -0.12 0.00 0.56 0.00 0.00 36.38 33.04 3i6g s VAL 231 CO 0.10 0.01 1.23 1.21 -0.31 0.00 0.00 175.10 177.34 3i6g n GLU 232 N 0.06 1.95 -1.74 4.82 2.13 -1.26 -4.60 120.64 122.00 3i6g n GLU 232 Ca -0.02 0.69 -0.42 0.00 0.66 0.00 0.00 57.16 58.07 3i6g n GLU 232 Cb 0.52 -2.24 -0.00 0.00 0.27 0.00 0.00 31.44 29.98 3i6g n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3i6g n THR 233 N 0.23 2.06 -4.06 6.31 -1.04 -1.26 -4.85 114.28 111.67 3i6g n THR 233 Ca 0.06 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 3i6g n THR 233 Cb 0.36 -1.78 -0.12 0.00 -1.82 0.00 0.00 70.33 66.97 3i6g n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i6g s ARG 234 N -2.03 0.47 0.19 -2.82 1.70 -0.32 -4.97 118.95 111.18 3i6g s ARG 234 Ca 0.55 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.85 3i6g s ARG 234 Cb -0.51 -0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 33.55 3i6g s ARG 234 CO 0.63 0.04 1.03 -2.14 -1.08 0.00 0.00 175.30 173.77 3i6g s PRO 235 N -1.38 4.69 0.27 3.89 0.02 -1.26 0.41 135.00 141.64 3i6g s PRO 235 Ca -0.09 1.61 0.12 0.00 0.02 0.00 0.00 61.00 62.66 3i6g s PRO 235 Cb -0.09 -3.29 0.32 0.00 0.02 0.00 0.00 34.50 31.46 3i6g s PRO 235 CO 0.00 0.23 1.58 0.00 -0.33 0.00 0.00 177.00 178.48 3i6g h ALA 236 N 4.83 0.85 0.00 -1.55 0.00 -1.09 -3.46 119.26 118.85 3i6g h ALA 236 Ca -0.44 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3i6g h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i6g h ALA 236 CO 0.70 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.13 3i6g n GLY 237 N 0.50 0.68 0.15 0.00 0.00 -1.26 -4.92 105.19 100.33 3i6g n GLY 237 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i6g n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6g n ASP 238 N 0.00 2.22 0.00 1.61 5.68 -1.26 -4.96 116.55 119.83 3i6g n ASP 238 Ca 0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 3i6g n ASP 238 Cb 0.00 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3i6g n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i6g n GLY 239 N -0.29 0.39 3.93 6.12 0.00 -1.26 -5.08 105.19 109.01 3i6g n GLY 239 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3i6g n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6g s THR 240 N -2.00 2.43 0.23 2.61 -4.23 -1.26 -4.90 115.64 108.52 3i6g s THR 240 Ca 0.00 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 3i6g s THR 240 Cb 0.00 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 3i6g s THR 240 CO 0.00 0.00 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.55 3i6g s PHE 241 N -2.54 1.92 0.14 3.99 0.08 0.35 -0.48 117.98 121.43 3i6g s PHE 241 Ca 0.49 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 57.11 3i6g s PHE 241 Cb -0.05 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 3i6g s PHE 241 CO 0.29 0.48 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.13 3i6g s GLN 242 N -3.55 1.05 -0.11 0.44 -0.21 0.17 -2.28 119.66 115.16 3i6g s GLN 242 Ca 0.25 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.97 3i6g s GLN 242 Cb -0.02 -0.76 0.12 0.00 1.00 0.00 0.00 33.01 33.35 3i6g s GLN 242 CO 0.10 0.12 0.97 0.21 -2.12 0.00 0.00 175.29 174.57 3i6g s LYS 243 N -3.24 0.66 0.07 2.91 2.20 -0.58 -1.17 119.74 120.59 3i6g s LYS 243 Ca 0.13 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.65 3i6g s LYS 243 Cb -0.01 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3i6g s LYS 243 CO 0.02 -0.24 0.18 1.67 -0.36 0.00 0.00 175.35 176.62 3i6g s TRP 244 N -1.82 0.15 -0.05 4.03 1.48 -1.26 -1.05 118.94 120.41 3i6g s TRP 244 Ca 0.01 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.54 3i6g s TRP 244 Cb -0.01 -0.07 0.01 0.00 -1.16 0.00 0.00 33.47 32.24 3i6g s TRP 244 CO -0.02 -0.50 -0.09 0.00 -4.06 0.00 0.00 176.95 172.28 3i6g s ALA 245 N -3.47 0.97 0.16 2.67 0.00 -0.57 -2.92 121.76 118.60 3i6g s ALA 245 Ca 0.02 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 51.81 3i6g s ALA 245 Cb 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3i6g s ALA 245 CO -0.09 0.09 -0.24 0.00 0.00 0.00 0.00 175.76 175.52 3i6g s ALA 246 N 0.60 2.51 -0.00 0.00 0.00 -0.33 -0.55 121.76 124.00 3i6g s ALA 246 Ca -0.11 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.32 3i6g s ALA 246 Cb -0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3i6g s ALA 246 CO 0.02 0.49 -0.03 0.54 0.00 0.00 0.00 175.76 176.78 3i6g s VAL 247 N -1.40 0.20 -0.39 0.00 0.11 -0.01 -0.63 120.40 118.28 3i6g s VAL 247 Ca 0.18 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.94 3i6g s VAL 247 Cb -0.09 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3i6g s VAL 247 CO 0.09 0.06 0.51 -0.69 -3.33 0.00 0.00 175.10 171.74 3i6g s VAL 248 N -0.06 5.00 0.13 2.04 1.01 -1.10 -1.19 120.40 126.23 3i6g s VAL 248 Ca 0.01 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.15 3i6g s VAL 248 Cb -0.01 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3i6g s VAL 248 CO -0.00 -0.35 -0.17 0.68 0.00 0.00 0.00 175.10 175.25 3i6g s VAL 249 N 2.40 1.58 0.29 2.92 -7.23 0.12 -4.92 120.40 115.56 3i6g s VAL 249 Ca 0.17 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 3i6g s VAL 249 Cb -0.16 -1.61 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 3i6g s VAL 249 CO 0.15 -0.27 1.32 -2.84 -0.31 0.00 0.00 175.10 173.14 3i6g s PRO 250 N -2.44 4.36 0.40 4.82 0.02 -1.26 0.45 135.00 141.35 3i6g s PRO 250 Ca 0.10 2.18 -0.27 0.00 0.02 0.00 0.00 61.00 63.02 3i6g s PRO 250 Cb -0.07 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.24 3i6g s PRO 250 CO 0.05 -0.21 1.46 -1.12 -0.33 0.00 0.00 177.00 176.84 3i6g s SER 251 N -0.22 6.19 0.00 2.53 0.01 0.19 -3.13 113.70 119.27 3i6g s SER 251 Ca 0.52 3.00 0.00 0.00 1.31 0.00 0.00 55.95 60.78 3i6g s SER 251 Cb -0.39 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.18 3i6g s SER 251 CO 0.48 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.77 3i6g n GLY 252 N 0.50 3.05 1.86 3.44 0.00 -1.26 -4.84 105.19 107.93 3i6g n GLY 252 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3i6g n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6g n GLN 253 N -0.68 2.49 -0.06 1.61 10.64 -1.18 -4.68 117.38 125.53 3i6g n GLN 253 Ca 0.00 -3.38 -0.11 0.00 -1.83 0.00 0.00 57.00 51.68 3i6g n GLN 253 Cb 0.00 -2.11 0.03 0.00 -0.86 0.00 0.00 30.24 27.30 3i6g n GLN 253 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3i6g h GLU 254 N 1.50 0.75 0.00 2.61 5.08 -1.89 -2.83 114.58 119.81 3i6g h GLU 254 Ca 0.44 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i6g h GLU 254 Cb 1.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3i6g h GLU 254 CO 0.93 1.04 0.00 1.04 -1.00 0.00 0.00 179.01 181.03 3i6g n GLN 255 N -4.02 0.13 0.23 2.33 6.02 -1.26 -0.69 117.38 120.12 3i6g n GLN 255 Ca -0.03 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 3i6g n GLN 255 Cb 0.56 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.81 3i6g n GLN 255 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i6g h ARG 256 N 0.00 0.00 -5.88 -1.09 3.08 -1.87 -3.46 114.38 105.16 3i6g h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3i6g h ARG 256 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3i6g h ARG 256 CO 0.00 0.16 -0.34 0.71 -1.07 0.00 0.00 179.97 179.43 3i6g s TYR 257 N -3.61 3.63 -0.00 3.04 1.51 0.14 -2.55 117.35 119.51 3i6g s TYR 257 Ca 0.01 0.71 0.04 0.00 -1.01 0.00 0.00 57.07 56.82 3i6g s TYR 257 Cb 0.09 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3i6g s TYR 257 CO 0.62 0.65 -0.13 0.95 -1.11 0.00 0.00 175.55 176.54 3i6g s THR 258 N -1.16 0.99 -0.20 -0.71 -4.23 0.59 -4.38 115.64 106.54 3i6g s THR 258 Ca 0.23 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 60.05 3i6g s THR 258 Cb -0.14 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 3i6g s THR 258 CO 0.12 0.24 0.13 0.00 -0.54 0.00 0.00 174.62 174.57 3i6g s HIS 260 N 0.40 2.96 -0.21 0.00 3.76 0.13 -0.82 115.29 121.52 3i6g s HIS 260 Ca 0.08 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 3i6g s HIS 260 Cb -0.11 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.58 3i6g s HIS 260 CO -0.02 -0.28 -0.08 0.08 -0.85 0.00 0.00 174.74 173.60 3i6g s VAL 261 N 0.83 3.05 -0.12 -0.90 1.01 -0.11 -1.39 120.40 122.77 3i6g s VAL 261 Ca -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3i6g s VAL 261 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3i6g s VAL 261 CO 0.01 0.45 -0.15 -1.10 0.00 0.00 0.00 175.10 174.32 3i6g s GLN 262 N 1.42 3.31 -0.10 2.72 -0.21 -0.35 -1.69 119.66 124.76 3i6g s GLN 262 Ca 0.05 -0.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.44 3i6g s GLN 262 Cb -0.14 -2.57 0.06 0.00 1.00 0.00 0.00 33.01 31.37 3i6g s GLN 262 CO -0.06 0.22 0.63 -1.58 -2.12 0.00 0.00 175.29 172.38 3i6g s HIS 263 N 0.33 -0.62 -0.26 0.91 2.46 -1.26 -1.42 115.29 115.43 3i6g s HIS 263 Ca -0.12 1.19 0.26 0.00 0.47 0.00 0.00 55.06 56.86 3i6g s HIS 263 Cb -0.16 0.33 1.17 0.00 -0.13 0.00 0.00 32.58 33.79 3i6g s HIS 263 CO 0.06 -0.51 1.78 1.05 -2.47 0.00 0.00 174.74 174.65 3i6g h GLU 264 N 3.66 0.00 -0.00 2.88 4.11 -1.94 -0.68 114.58 122.61 3i6g h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3i6g h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i6g h GLU 264 CO 0.31 0.00 -0.05 0.41 0.07 0.00 0.00 179.01 179.75 3i6g n GLY 265 N -0.35 -0.77 3.41 1.06 0.00 -1.26 -4.75 105.19 102.53 3i6g n GLY 265 Ca 0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3i6g n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6g s LEU 266 N -2.23 3.30 0.39 0.99 1.43 -0.26 -4.42 118.68 117.88 3i6g s LEU 266 Ca 0.37 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.42 3i6g s LEU 266 Cb 0.21 -1.88 1.20 0.00 0.03 0.00 0.00 46.19 45.75 3i6g s LEU 266 CO 0.41 -0.03 1.68 -0.65 0.23 0.00 0.00 176.35 178.00 3i6g h PRO 267 N 8.19 0.26 -2.84 1.29 0.11 -1.85 -3.42 132.00 133.74 3i6g h PRO 267 Ca -0.39 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3i6g h PRO 267 Cb 1.17 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.07 3i6g h PRO 267 CO 0.58 0.17 0.07 -1.59 -0.21 0.00 0.00 178.00 177.03 3i6g s LYS 268 N -5.50 1.09 0.45 1.05 -2.85 -1.26 -5.15 119.74 107.57 3i6g s LYS 268 Ca -0.09 -0.31 -0.24 0.00 -1.00 0.00 0.00 55.97 54.34 3i6g s LYS 268 Cb 0.29 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.46 3i6g s LYS 268 CO 0.80 -0.42 1.11 -2.30 0.10 0.00 0.00 175.35 174.64 3i6g n PRO 269 N 0.20 1.51 -3.69 1.78 -0.02 -1.26 -4.98 135.00 128.53 3i6g n PRO 269 Ca -0.18 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 3i6g n PRO 269 Cb 0.61 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3i6g n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i6g s LEU 270 N -1.21 4.31 -0.10 2.45 1.43 -0.68 -4.91 118.68 119.96 3i6g s LEU 270 Ca 0.64 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 3i6g s LEU 270 Cb -0.52 -3.10 0.01 0.00 0.03 0.00 0.00 46.19 42.61 3i6g s LEU 270 CO 0.56 0.12 -0.17 -0.89 0.23 0.00 0.00 176.35 176.20 3i6g s THR 271 N -1.53 1.57 -0.07 5.49 2.01 -1.26 -0.94 115.64 120.91 3i6g s THR 271 Ca 0.37 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.71 3i6g s THR 271 Cb -0.13 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 3i6g s THR 271 CO 0.22 0.45 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.63 3i6g s LEU 272 N 0.81 2.30 0.08 4.42 1.43 -0.00 -4.95 118.68 122.77 3i6g s LEU 272 Ca -0.10 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3i6g s LEU 272 Cb -0.16 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3i6g s LEU 272 CO 0.01 0.25 -0.26 -0.13 0.23 0.00 0.00 176.35 176.46 3i6g s ARG 273 N -0.20 1.67 0.00 1.70 0.52 -1.26 -1.27 118.95 120.11 3i6g s ARG 273 Ca -0.02 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 3i6g s ARG 273 Cb -0.13 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3i6g s ARG 273 CO 0.03 0.49 0.53 1.87 0.02 0.00 0.00 175.30 178.24 3i6g n TRP 274 N 1.42 0.00 0.00 -0.53 -0.00 -1.26 -5.05 117.44 112.01 3i6g n TRP 274 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 3i6g n TRP 274 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 3i6g n TRP 274 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84