#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6k s SER 2 N 0.00 6.68 0.33 1.61 1.04 -1.26 -3.99 113.70 118.11 3i6k s SER 2 Ca 0.00 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.89 3i6k s SER 2 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 3i6k s SER 2 CO 0.00 -0.44 0.14 -1.00 0.98 0.00 0.00 173.24 172.92 3i6k s HIS 3 N -2.38 1.70 -0.05 5.02 3.76 -0.56 -4.97 115.29 117.82 3i6k s HIS 3 Ca 0.57 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.92 3i6k s HIS 3 Cb -0.10 -0.99 0.06 0.00 1.11 0.00 0.00 32.58 32.66 3i6k s HIS 3 CO 0.26 -0.39 0.59 -1.54 -0.85 0.00 0.00 174.74 172.80 3i6k s SER 4 N -3.45 -0.54 -0.07 1.40 1.04 -1.26 -1.50 113.70 109.32 3i6k s SER 4 Ca 0.33 0.58 0.06 0.00 0.48 0.00 0.00 55.95 57.39 3i6k s SER 4 Cb 0.05 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3i6k s SER 4 CO 0.17 -0.55 -0.25 -0.32 0.98 0.00 0.00 173.24 173.26 3i6k s MET 5 N -1.17 2.63 -0.01 4.02 0.00 -0.79 0.14 119.30 124.13 3i6k s MET 5 Ca -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 55.69 54.69 3i6k s MET 5 Cb -0.01 -2.18 0.01 0.00 0.00 0.00 0.00 34.83 32.64 3i6k s MET 5 CO 0.08 0.34 -0.03 1.03 0.00 0.00 0.00 175.02 176.45 3i6k s ARG 6 N -0.06 0.29 -0.09 4.11 0.52 0.29 -1.60 118.95 122.40 3i6k s ARG 6 Ca -0.07 -0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 3i6k s ARG 6 Cb -0.15 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 3i6k s ARG 6 CO 0.05 0.02 -0.09 0.71 0.02 0.00 0.00 175.30 176.00 3i6k s TYR 7 N 0.21 2.87 -0.17 -0.53 2.02 0.31 -0.68 117.35 121.38 3i6k s TYR 7 Ca -0.02 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3i6k s TYR 7 Cb -0.05 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3i6k s TYR 7 CO -0.00 0.12 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.83 3i6k s PHE 8 N -0.34 2.75 -0.11 2.71 0.08 -0.47 -2.21 117.98 120.37 3i6k s PHE 8 Ca 0.04 -1.50 0.01 0.00 0.12 0.00 0.00 56.93 55.61 3i6k s PHE 8 Cb -0.12 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3i6k s PHE 8 CO 0.02 -0.72 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.22 3i6k s PHE 9 N 1.10 2.76 -0.10 0.36 0.08 0.52 -1.78 117.98 120.93 3i6k s PHE 9 Ca 0.00 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.45 3i6k s PHE 9 Cb -0.14 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3i6k s PHE 9 CO -0.08 -0.18 -0.15 0.99 -0.10 0.00 0.00 175.22 175.70 3i6k s THR 10 N 0.20 1.44 -0.13 0.64 2.01 0.18 -1.33 115.64 118.65 3i6k s THR 10 Ca -0.09 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3i6k s THR 10 Cb -0.15 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.07 3i6k s THR 10 CO 0.05 0.43 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.74 3i6k s SER 11 N 0.89 2.48 -0.12 3.53 0.15 0.05 -0.60 113.70 120.08 3i6k s SER 11 Ca -0.09 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.17 3i6k s SER 11 Cb -0.15 -1.05 0.01 0.00 -1.71 0.00 0.00 66.02 63.12 3i6k s SER 11 CO 0.00 -0.08 -0.21 -0.69 1.20 0.00 0.00 173.24 173.47 3i6k s VAL 12 N 1.55 1.92 0.40 4.45 1.01 0.07 -0.32 120.40 129.48 3i6k s VAL 12 Ca 0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 3i6k s VAL 12 Cb -0.13 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 3i6k s VAL 12 CO -0.09 0.52 0.97 -0.94 0.00 0.00 0.00 175.10 175.56 3i6k s SER 13 N 0.74 6.97 -0.49 3.32 1.04 -0.23 -0.20 113.70 124.85 3i6k s SER 13 Ca -0.10 1.81 0.04 0.00 0.48 0.00 0.00 55.95 58.18 3i6k s SER 13 Cb -0.16 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.57 3i6k s SER 13 CO 0.01 -0.34 0.39 0.54 0.98 0.00 0.00 173.24 174.82 3i6k n ARG 14 N -0.24 0.65 -1.68 4.02 1.74 -1.26 -4.32 116.66 115.56 3i6k n ARG 14 Ca 0.05 -3.53 -0.48 0.00 -0.77 0.00 0.00 57.85 53.12 3i6k n ARG 14 Cb 0.52 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3i6k n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i6k n PRO 15 N 2.53 2.16 0.00 5.56 -0.04 -1.26 -1.26 135.00 142.69 3i6k n PRO 15 Ca 0.27 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 3i6k n PRO 15 Cb 0.45 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 3i6k n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i6k n GLY 16 N 4.38 3.16 1.04 0.55 0.00 -1.26 -4.79 105.19 108.26 3i6k n GLY 16 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3i6k n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6k n ARG 17 N -1.90 2.32 0.00 1.61 1.74 -0.39 -5.05 116.66 114.98 3i6k n ARG 17 Ca 0.00 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 3i6k n ARG 17 Cb 0.00 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3i6k n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6k n GLY 18 N 1.42 0.97 3.78 -0.13 0.00 -1.13 -4.97 105.19 105.12 3i6k n GLY 18 Ca 0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 3i6k n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6k s GLU 19 N 0.00 3.97 0.48 1.61 0.41 -1.26 -4.62 118.70 119.29 3i6k s GLU 19 Ca 0.00 1.62 -0.24 0.00 -0.41 0.00 0.00 54.97 55.95 3i6k s GLU 19 Cb 0.00 -2.47 -0.07 0.00 -1.78 0.00 0.00 34.13 29.81 3i6k s GLU 19 CO 0.00 -0.33 1.33 -2.14 -0.49 0.00 0.00 175.26 173.63 3i6k s PRO 20 N -2.61 3.56 0.09 0.39 0.02 -1.26 -4.60 135.00 130.58 3i6k s PRO 20 Ca 0.61 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 3i6k s PRO 20 Cb -0.25 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.73 3i6k s PRO 20 CO 0.30 -0.84 1.10 0.50 -0.33 0.00 0.00 177.00 177.74 3i6k s ARG 21 N -2.61 4.53 -0.10 5.54 6.06 0.72 -4.88 118.95 128.20 3i6k s ARG 21 Ca 0.64 1.65 0.01 0.00 -2.50 0.00 0.00 55.73 55.54 3i6k s ARG 21 Cb -0.39 -3.35 0.02 0.00 0.06 0.00 0.00 34.95 31.29 3i6k s ARG 21 CO 0.48 -0.08 -0.13 0.12 -2.50 0.00 0.00 175.30 173.19 3i6k s PHE 22 N 0.59 1.81 -0.04 5.12 5.36 -1.26 -0.75 117.98 128.81 3i6k s PHE 22 Ca 0.54 -0.84 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 3i6k s PHE 22 Cb -0.27 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 3i6k s PHE 22 CO 0.31 -0.45 -0.13 0.42 -1.46 0.00 0.00 175.22 173.91 3i6k s ILE 23 N 1.06 1.08 -0.01 3.12 1.01 0.23 -1.47 121.20 126.22 3i6k s ILE 23 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3i6k s ILE 23 Cb -0.15 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 3i6k s ILE 23 CO -0.02 0.33 -0.10 0.00 0.00 0.00 0.00 174.94 175.15 3i6k s ALA 24 N 0.21 0.82 0.06 9.38 0.00 -0.61 -0.64 121.76 130.97 3i6k s ALA 24 Ca -0.05 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3i6k s ALA 24 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3i6k s ALA 24 CO 0.02 0.20 -0.10 0.14 0.00 0.00 0.00 175.76 176.01 3i6k s VAL 25 N -0.22 0.77 -0.06 0.00 -7.23 -0.73 -0.20 120.40 112.73 3i6k s VAL 25 Ca 0.04 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 3i6k s VAL 25 Cb -0.04 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.04 3i6k s VAL 25 CO -0.00 -0.36 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.38 3i6k s GLY 26 N -1.75 1.17 -0.03 2.32 0.00 -0.91 -1.37 107.32 106.75 3i6k s GLY 26 Ca -0.05 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3i6k s GLY 26 CO 0.01 -0.48 -0.15 -0.19 0.00 0.00 0.00 173.10 172.29 3i6k s TYR 27 N 0.00 1.46 -0.22 1.90 1.51 0.14 -0.64 117.35 121.51 3i6k s TYR 27 Ca -0.06 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.57 3i6k s TYR 27 Cb -0.14 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 3i6k s TYR 27 CO 0.04 -0.12 -0.03 0.08 -1.11 0.00 0.00 175.55 174.41 3i6k s VAL 28 N -0.01 3.50 0.00 0.71 1.01 -0.22 -0.55 120.40 124.84 3i6k s VAL 28 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3i6k s VAL 28 Cb -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3i6k s VAL 28 CO 0.01 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.00 3i6k n ASP 29 N 4.78 0.00 -1.82 3.32 8.00 0.12 -1.01 116.55 129.94 3i6k n ASP 29 Ca -0.18 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.15 3i6k n ASP 29 Cb 0.51 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.78 3i6k n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i6k n ASP 30 N 4.79 3.57 -3.88 -2.24 8.00 -1.26 -4.89 116.55 120.63 3i6k n ASP 30 Ca 0.00 -3.70 -0.29 0.00 0.71 0.00 0.00 54.79 51.51 3i6k n ASP 30 Cb 0.00 -0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 40.18 3i6k n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i6k s THR 31 N -3.44 1.16 0.51 -3.53 2.01 -0.18 -5.01 115.64 107.16 3i6k s THR 31 Ca 0.53 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 3i6k s THR 31 Cb 0.45 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 71.48 3i6k s THR 31 CO 0.05 -0.00 1.16 -1.58 -0.69 0.00 0.00 174.62 173.56 3i6k s GLN 32 N 1.59 3.50 0.00 4.92 0.74 -1.26 -1.06 119.66 128.09 3i6k s GLN 32 Ca -0.02 1.72 0.00 0.00 0.05 0.00 0.00 55.36 57.11 3i6k s GLN 32 Cb -0.17 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.76 3i6k s GLN 32 CO -0.07 -0.75 0.00 1.97 -0.55 0.00 0.00 175.29 175.89 3i6k n PHE 33 N -0.95 0.00 -4.19 1.67 -1.74 0.19 -4.25 117.46 108.19 3i6k n PHE 33 Ca 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.88 3i6k n PHE 33 Cb 0.49 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.39 3i6k n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3i6k s VAL 34 N -0.00 0.22 0.01 1.97 -7.23 -1.23 -0.07 120.40 114.08 3i6k s VAL 34 Ca 0.00 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 57.94 3i6k s VAL 34 Cb 0.00 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.84 3i6k s VAL 34 CO 0.00 -0.36 0.70 0.00 -0.31 0.00 0.00 175.10 175.13 3i6k s ARG 35 N -4.04 1.06 -0.02 4.82 1.70 -0.70 -2.13 118.95 119.64 3i6k s ARG 35 Ca 0.27 -0.03 -0.04 0.00 -0.47 0.00 0.00 55.73 55.47 3i6k s ARG 35 Cb 0.07 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 3i6k s ARG 35 CO 0.05 -0.39 0.09 0.12 -1.08 0.00 0.00 175.30 174.08 3i6k s PHE 36 N -2.15 -0.01 -0.20 5.89 5.36 0.71 -0.83 117.98 126.77 3i6k s PHE 36 Ca -0.05 0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 55.91 3i6k s PHE 36 Cb -0.00 -0.02 0.10 0.00 -0.34 0.00 0.00 43.02 42.75 3i6k s PHE 36 CO 0.00 -0.13 0.30 0.34 -1.46 0.00 0.00 175.22 174.27 3i6k s ASP 37 N -0.56 0.64 0.66 6.13 -1.08 -1.26 -1.58 116.67 119.63 3i6k s ASP 37 Ca -0.06 0.21 0.41 0.00 -0.52 0.00 0.00 52.55 52.58 3i6k s ASP 37 Cb -0.04 0.77 2.25 0.00 -1.46 0.00 0.00 42.92 44.43 3i6k s ASP 37 CO 0.00 -0.29 2.28 0.77 0.52 0.00 0.00 175.17 178.46 3i6k h SER 38 N 8.25 0.00 0.50 -0.34 4.64 -1.65 0.38 113.55 125.34 3i6k h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3i6k h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3i6k h SER 38 CO 0.23 0.00 -0.54 0.47 -0.87 0.00 0.00 176.83 176.12 3i6k n ASP 39 N -3.11 0.53 -4.78 4.97 9.92 -1.26 -4.90 116.55 117.93 3i6k n ASP 39 Ca -0.03 -0.25 -0.30 0.00 -0.53 0.00 0.00 54.79 53.68 3i6k n ASP 39 Cb 0.13 0.29 0.09 0.00 -0.64 0.00 0.00 41.12 41.00 3i6k n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i6k s ALA 40 N -3.02 2.17 0.07 2.24 0.00 0.12 -4.98 121.76 118.36 3i6k s ALA 40 Ca 0.10 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.17 3i6k s ALA 40 Cb 0.17 -3.19 -0.20 0.00 0.00 0.00 0.00 23.12 19.90 3i6k s ALA 40 CO 0.71 -1.78 1.15 0.00 0.00 0.00 0.00 175.76 175.83 3i6k h ALA 41 N -1.13 0.46 -0.23 0.00 0.00 -1.90 -3.34 119.26 113.12 3i6k h ALA 41 Ca -0.46 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 53.33 3i6k h ALA 41 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3i6k h ALA 41 CO 0.55 1.29 -0.30 0.66 0.00 0.00 0.00 179.25 181.45 3i6k h SER 42 N 0.00 0.47 -3.75 0.00 4.64 -1.94 -3.46 113.55 109.51 3i6k h SER 42 Ca -0.07 -0.17 -0.40 0.00 -0.47 0.00 0.00 61.79 60.68 3i6k h SER 42 Cb 1.80 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3i6k h SER 42 CO 0.11 0.75 -0.55 0.00 -0.87 0.00 0.00 176.83 176.28 3i6k n GLN 43 N -4.09 -3.05 -4.18 4.77 1.13 -1.26 -4.98 117.38 105.72 3i6k n GLN 43 Ca -0.01 0.92 -0.12 0.00 -1.94 0.00 0.00 57.00 55.85 3i6k n GLN 43 Cb 0.44 -5.66 -0.10 0.00 0.11 0.00 0.00 30.24 25.02 3i6k n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3i6k s ARG 44 N -5.34 0.85 0.23 -1.09 0.52 -1.26 -5.02 118.95 107.84 3i6k s ARG 44 Ca 0.13 -1.28 -0.30 0.00 -0.52 0.00 0.00 55.73 53.76 3i6k s ARG 44 Cb -0.06 -0.33 -0.10 0.00 0.52 0.00 0.00 34.95 34.98 3i6k s ARG 44 CO 0.17 0.02 1.43 1.41 0.02 0.00 0.00 175.30 178.35 3i6k s MET 45 N -3.48 4.28 0.02 3.54 -2.45 -1.26 -4.68 119.30 115.27 3i6k s MET 45 Ca 0.10 2.27 0.07 0.00 -1.25 0.00 0.00 55.69 56.88 3i6k s MET 45 Cb 0.02 -3.13 -0.02 0.00 1.25 0.00 0.00 34.83 32.96 3i6k s MET 45 CO -0.03 -0.41 -0.20 -1.21 1.05 0.00 0.00 175.02 174.21 3i6k s GLU 46 N -0.20 1.48 0.28 4.11 2.02 -0.01 -4.94 118.70 121.45 3i6k s GLU 46 Ca 0.60 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 54.44 3i6k s GLU 46 Cb -0.41 -1.53 -0.10 0.00 0.10 0.00 0.00 34.13 32.19 3i6k s GLU 46 CO 0.42 0.40 1.24 -1.25 0.02 0.00 0.00 175.26 176.09 3i6k s PRO 47 N -0.92 4.46 -0.03 0.39 0.04 -1.26 -1.73 135.00 135.95 3i6k s PRO 47 Ca 0.08 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.20 3i6k s PRO 47 Cb -0.08 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.39 3i6k s PRO 47 CO 0.01 -0.07 0.91 0.54 0.04 0.00 0.00 177.00 178.42 3i6k n ARG 48 N 1.33 0.85 -3.78 4.56 5.12 0.90 -4.90 116.66 120.74 3i6k n ARG 48 Ca 0.01 -1.33 -0.13 0.00 -1.93 0.00 0.00 57.85 54.47 3i6k n ARG 48 Cb 0.43 -0.83 -0.12 0.00 -1.16 0.00 0.00 32.46 30.79 3i6k n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6k s ALA 49 N -0.86 -0.63 0.37 7.54 0.00 -1.23 -4.47 121.76 122.48 3i6k s ALA 49 Ca 0.07 0.73 0.11 0.00 0.00 0.00 0.00 51.96 52.88 3i6k s ALA 49 Cb 0.07 -0.43 0.89 0.00 0.00 0.00 0.00 23.12 23.65 3i6k s ALA 49 CO 0.01 -0.12 1.86 -1.00 0.00 0.00 0.00 175.76 176.50 3i6k h PRO 50 N 5.79 0.59 0.00 0.00 0.13 -1.95 -2.07 132.00 134.49 3i6k h PRO 50 Ca -0.26 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3i6k h PRO 50 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3i6k h PRO 50 CO 0.35 0.39 0.00 -2.67 -0.23 0.00 0.00 178.00 175.84 3i6k n TRP 51 N -4.56 0.00 0.94 1.56 4.27 -1.26 -2.67 117.44 115.72 3i6k n TRP 51 Ca 0.18 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.89 3i6k n TRP 51 Cb 0.54 -0.25 -0.10 0.00 -1.36 0.00 0.00 31.31 30.14 3i6k n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3i6k n ILE 52 N -1.25 0.00 0.24 -1.67 0.13 -0.78 -4.32 119.36 111.71 3i6k n ILE 52 Ca 0.14 -0.05 0.09 0.00 -1.10 0.00 0.00 62.75 61.83 3i6k n ILE 52 Cb 0.20 1.02 0.60 0.00 -0.84 0.00 0.00 39.64 40.62 3i6k n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3i6k h GLU 53 N 0.18 0.00 0.00 9.51 5.08 -1.56 -2.42 114.58 125.37 3i6k h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i6k h GLU 53 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3i6k h GLU 53 CO 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 3i6k n GLN 54 N -3.82 0.00 -2.32 2.33 10.64 -1.26 -4.72 117.38 118.24 3i6k n GLN 54 Ca -0.02 0.34 -0.41 0.00 -1.83 0.00 0.00 57.00 55.08 3i6k n GLN 54 Cb 0.29 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.13 3i6k n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3i6k s GLU 55 N -2.99 4.47 0.76 2.61 0.41 -0.91 -5.02 118.70 118.03 3i6k s GLU 55 Ca 0.05 1.95 -0.07 0.00 -0.41 0.00 0.00 54.97 56.49 3i6k s GLU 55 Cb 0.06 -3.20 0.11 0.00 -1.78 0.00 0.00 34.13 29.32 3i6k s GLU 55 CO 0.17 -0.11 1.07 0.20 -0.49 0.00 0.00 175.26 176.10 3i6k s GLY 56 N 0.01 1.74 0.39 -1.39 0.00 -1.26 -4.82 107.32 101.97 3i6k s GLY 56 Ca 0.52 -1.23 0.17 0.00 0.00 0.00 0.00 44.72 44.19 3i6k s GLY 56 CO 0.39 -0.70 1.76 -2.55 0.00 0.00 0.00 173.10 172.01 3i6k h PRO 57 N -0.80 0.41 -0.19 2.90 0.11 -1.98 0.18 132.00 132.63 3i6k h PRO 57 Ca -0.42 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3i6k h PRO 57 Cb 1.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i6k h PRO 57 CO 0.49 0.27 0.07 0.93 -0.21 0.00 0.00 178.00 179.55 3i6k h GLU 58 N 0.42 0.16 0.36 1.05 5.08 -1.99 -0.30 114.58 119.36 3i6k h GLU 58 Ca 0.61 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 3i6k h GLU 58 Cb 1.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 3i6k h GLU 58 CO -0.33 0.11 -0.24 -0.92 -1.00 0.00 0.00 179.01 176.63 3i6k h TYR 59 N 0.17 -0.63 -0.49 4.33 3.20 -0.99 -0.84 116.97 121.71 3i6k h TYR 59 Ca 0.08 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3i6k h TYR 59 Cb 0.04 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3i6k h TYR 59 CO -0.11 -0.37 0.18 -1.49 -1.64 0.00 0.00 178.16 174.73 3i6k h TRP 60 N -0.59 0.75 -0.00 -3.82 4.06 -1.41 -0.32 115.95 114.62 3i6k h TRP 60 Ca -0.03 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 60.86 3i6k h TRP 60 Cb 0.49 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 3i6k h TRP 60 CO -0.11 0.64 -0.03 -0.44 -3.56 0.00 0.00 178.44 174.94 3i6k h ASP 61 N 0.65 -0.10 -0.34 -3.49 3.32 -0.98 0.92 116.42 116.40 3i6k h ASP 61 Ca 0.16 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3i6k h ASP 61 Cb 0.22 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3i6k h ASP 61 CO -0.01 -0.05 0.07 1.23 -1.72 0.00 0.00 179.24 178.76 3i6k h GLY 62 N -0.06 0.40 1.92 2.75 0.00 -0.98 -0.46 103.07 106.64 3i6k h GLY 62 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 3i6k h GLY 62 CO -0.04 -0.02 -0.29 0.83 0.00 0.00 0.00 176.54 177.02 3i6k h GLU 63 N 0.19 0.09 -0.29 4.80 4.39 -0.79 -1.23 114.58 121.74 3i6k h GLU 63 Ca 0.16 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 3i6k h GLU 63 Cb 0.18 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3i6k h GLU 63 CO -0.21 0.38 -0.28 1.15 -1.16 0.00 0.00 179.01 178.89 3i6k h THR 64 N 0.08 1.30 0.42 1.13 2.02 -0.23 -1.49 112.91 116.14 3i6k h THR 64 Ca 0.01 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 3i6k h THR 64 Cb 0.56 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3i6k h THR 64 CO 0.04 0.46 -0.28 -0.09 0.37 0.00 0.00 175.52 176.02 3i6k h ARG 65 N 0.43 -0.66 -0.92 6.66 2.43 -0.64 -1.51 114.38 120.18 3i6k h ARG 65 Ca 0.05 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3i6k h ARG 65 Cb 0.84 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3i6k h ARG 65 CO 0.07 -0.44 0.60 0.87 -1.51 0.00 0.00 179.97 179.56 3i6k h LYS 66 N -0.68 1.18 -0.27 0.20 1.57 -1.26 0.76 116.57 118.06 3i6k h LYS 66 Ca -0.04 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3i6k h LYS 66 Cb 0.57 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3i6k h LYS 66 CO 0.03 0.78 -0.31 -0.24 -0.57 0.00 0.00 179.45 179.14 3i6k h VAL 67 N 1.21 1.28 -0.59 0.50 3.04 -1.20 0.13 116.25 120.63 3i6k h VAL 67 Ca 0.35 -1.42 -0.09 0.00 -1.01 0.00 0.00 66.70 64.53 3i6k h VAL 67 Cb -0.09 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 3i6k h VAL 67 CO -0.09 0.45 -0.00 0.11 -1.01 0.00 0.00 177.57 177.03 3i6k h LYS 68 N 0.48 1.03 -0.20 4.17 1.57 -0.65 -0.11 116.57 122.86 3i6k h LYS 68 Ca 0.06 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3i6k h LYS 68 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3i6k h LYS 68 CO 0.06 1.01 0.12 0.00 -0.57 0.00 0.00 179.45 180.07 3i6k h ALA 69 N 1.04 0.25 -0.03 3.86 0.00 -0.28 -1.44 119.26 122.66 3i6k h ALA 69 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3i6k h ALA 69 Cb 0.55 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3i6k h ALA 69 CO 0.03 -0.24 -0.28 0.45 0.00 0.00 0.00 179.25 179.21 3i6k h HIS 70 N 0.24 -0.74 -0.88 0.00 3.86 -0.58 -1.81 115.15 115.24 3i6k h HIS 70 Ca 0.07 0.03 0.23 0.00 -1.16 0.00 0.00 60.37 59.54 3i6k h HIS 70 Cb 0.02 0.33 -0.14 0.00 1.06 0.00 0.00 27.41 28.69 3i6k h HIS 70 CO -0.05 -0.37 0.29 1.03 0.86 0.00 0.00 177.93 179.69 3i6k h SER 71 N -0.40 0.10 -0.11 2.45 0.87 -0.70 -1.03 113.55 114.73 3i6k h SER 71 Ca 0.07 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3i6k h SER 71 Cb 0.50 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3i6k h SER 71 CO -0.26 -0.12 0.05 1.56 -0.53 0.00 0.00 176.83 177.53 3i6k h GLN 72 N 0.26 0.11 -0.90 2.24 1.08 -0.41 -1.56 115.11 115.91 3i6k h GLN 72 Ca 0.56 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.79 3i6k h GLN 72 Cb 1.12 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 3i6k h GLN 72 CO -0.62 0.07 0.59 1.15 -0.95 0.00 0.00 178.83 179.07 3i6k h THR 73 N 0.11 1.15 -0.43 -0.54 2.02 -0.84 -1.74 112.91 112.65 3i6k h THR 73 Ca 0.04 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 3i6k h THR 73 Cb 0.01 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3i6k h THR 73 CO -0.03 0.21 -0.22 0.45 0.37 0.00 0.00 175.52 176.29 3i6k h HIS 74 N 1.13 0.97 -0.80 3.16 3.86 -1.05 0.23 115.15 122.65 3i6k h HIS 74 Ca 0.36 -0.23 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 3i6k h HIS 74 Cb 0.02 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.19 3i6k h HIS 74 CO -0.00 0.99 0.47 -0.09 0.86 0.00 0.00 177.93 180.15 3i6k h ARG 75 N 0.74 0.79 -0.12 2.45 2.43 -0.43 -1.49 114.38 118.75 3i6k h ARG 75 Ca 0.10 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3i6k h ARG 75 Cb 0.75 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3i6k h ARG 75 CO 0.06 0.52 -0.11 0.28 -1.51 0.00 0.00 179.97 179.22 3i6k h VAL 76 N 0.81 1.35 -0.89 0.20 2.07 -1.03 -3.26 116.25 115.51 3i6k h VAL 76 Ca 0.37 -1.24 0.10 0.00 0.82 0.00 0.00 66.70 66.75 3i6k h VAL 76 Cb 0.28 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3i6k h VAL 76 CO -0.21 0.36 0.53 0.44 0.02 0.00 0.00 177.57 178.71 3i6k h ASP 77 N -0.09 0.77 -0.33 0.57 3.32 -0.56 -2.13 116.42 117.97 3i6k h ASP 77 Ca 0.02 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3i6k h ASP 77 Cb 0.62 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3i6k h ASP 77 CO 0.03 0.43 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.80 3i6k h LEU 78 N 0.87 -0.37 -0.10 1.55 3.38 -1.32 0.31 115.31 119.62 3i6k h LEU 78 Ca 0.43 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 3i6k h LEU 78 Cb 0.40 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i6k h LEU 78 CO -0.25 -0.14 0.01 1.23 0.09 0.00 0.00 178.44 179.39 3i6k h GLY 79 N -0.03 0.19 0.06 0.83 0.00 -1.57 -2.85 103.07 99.70 3i6k h GLY 79 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.43 3i6k h GLY 79 CO -0.36 0.12 -0.29 -0.84 0.00 0.00 0.00 176.54 175.17 3i6k h THR 80 N -0.07 0.32 -0.45 4.70 2.02 -0.89 -2.53 112.91 116.00 3i6k h THR 80 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 3i6k h THR 80 Cb 0.31 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3i6k h THR 80 CO 0.00 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.05 3i6k h LEU 81 N -0.29 0.32 -0.31 2.58 3.38 -0.36 0.85 115.31 121.48 3i6k h LEU 81 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i6k h LEU 81 Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i6k h LEU 81 CO -0.42 0.23 0.00 -2.11 0.09 0.00 0.00 178.44 176.22 3i6k n ARG 82 N -4.91 0.09 0.10 1.13 1.85 -1.08 -1.10 116.66 112.74 3i6k n ARG 82 Ca 0.03 0.32 -0.23 0.00 -1.00 0.00 0.00 57.85 56.98 3i6k n ARG 82 Cb 0.12 -1.67 -0.15 0.00 -1.05 0.00 0.00 32.46 29.71 3i6k n ARG 82 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 3i6k h GLY 83 N 2.45 0.48 1.64 2.89 0.00 -0.47 0.26 103.07 110.32 3i6k h GLY 83 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 3i6k h GLY 83 CO 0.00 1.08 0.15 -0.97 0.00 0.00 0.00 176.54 176.79 3i6k h TYR 84 N -0.11 0.46 -0.50 5.60 0.05 0.52 -2.83 116.97 120.17 3i6k h TYR 84 Ca -0.21 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.49 3i6k h TYR 84 Cb 1.92 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 39.46 3i6k h TYR 84 CO 0.16 0.36 0.07 0.66 -1.05 0.00 0.00 178.16 178.36 3i6k n TYR 85 N -4.41 1.73 -4.05 4.88 4.01 -0.27 -4.96 117.16 114.09 3i6k n TYR 85 Ca 0.02 -0.98 -0.43 0.00 -0.16 0.00 0.00 57.90 56.35 3i6k n TYR 85 Cb 0.13 -0.50 0.02 0.00 -0.31 0.00 0.00 39.34 38.68 3i6k n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i6k n ASN 86 N -0.12 -3.75 -4.45 7.72 3.02 -1.07 -4.95 115.26 111.67 3i6k n ASN 86 Ca 0.30 -1.19 -0.30 0.00 -0.03 0.00 0.00 54.58 53.36 3i6k n ASN 86 Cb 1.14 -1.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 3i6k n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3i6k s GLN 87 N -7.20 1.86 0.98 3.52 -0.21 0.88 -5.04 119.66 114.46 3i6k s GLN 87 Ca 0.44 -1.11 -0.15 0.00 0.02 0.00 0.00 55.36 54.56 3i6k s GLN 87 Cb -0.24 -2.10 0.18 0.00 1.00 0.00 0.00 33.01 31.84 3i6k s GLN 87 CO 0.89 0.51 1.20 -1.54 -2.12 0.00 0.00 175.29 174.22 3i6k s SER 88 N -1.74 2.94 -0.42 5.90 1.04 -1.26 -4.66 113.70 115.51 3i6k s SER 88 Ca 0.15 0.65 0.04 0.00 0.48 0.00 0.00 55.95 57.27 3i6k s SER 88 Cb -0.10 -0.97 0.63 0.00 0.10 0.00 0.00 66.02 65.67 3i6k s SER 88 CO 0.07 -2.87 1.86 -1.84 0.98 0.00 0.00 173.24 171.43 3i6k n GLU 89 N -3.93 2.22 -0.02 4.02 0.28 -1.26 -4.37 120.64 117.59 3i6k n GLU 89 Ca 0.11 -2.82 -0.10 0.00 -0.16 0.00 0.00 57.16 54.18 3i6k n GLU 89 Cb 0.60 -2.11 -0.14 0.00 1.43 0.00 0.00 31.44 31.22 3i6k n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i6k h ALA 90 N 1.12 0.72 -1.46 -1.84 0.00 -2.00 -3.45 119.26 112.36 3i6k h ALA 90 Ca 0.59 -1.45 -0.45 0.00 0.00 0.00 0.00 54.91 53.60 3i6k h ALA 90 Cb 2.74 0.50 0.05 0.00 0.00 0.00 0.00 17.79 21.09 3i6k h ALA 90 CO 1.03 1.55 -0.04 0.20 0.00 0.00 0.00 179.25 181.98 3i6k s GLY 91 N -5.16 1.81 -0.15 0.00 0.00 -1.26 -4.91 107.32 97.64 3i6k s GLY 91 Ca -0.07 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 42.95 3i6k s GLY 91 CO 0.82 -1.25 0.09 -0.45 0.00 0.00 0.00 173.10 172.31 3i6k s SER 92 N -4.55 5.92 0.23 1.64 0.15 -1.26 -4.66 113.70 111.17 3i6k s SER 92 Ca 0.60 0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.57 3i6k s SER 92 Cb -0.08 -1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 3i6k s SER 92 CO 0.39 0.28 -0.13 -1.00 1.20 0.00 0.00 173.24 173.98 3i6k s HIS 93 N -0.24 1.80 -0.04 3.44 3.76 -1.26 -4.96 115.29 117.79 3i6k s HIS 93 Ca 0.09 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3i6k s HIS 93 Cb -0.12 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.71 3i6k s HIS 93 CO 0.01 0.36 -0.07 0.99 -0.85 0.00 0.00 174.74 175.19 3i6k s THR 94 N -2.96 0.65 -0.11 1.30 2.01 -1.26 -1.07 115.64 114.20 3i6k s THR 94 Ca 0.25 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 3i6k s THR 94 Cb 0.00 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3i6k s THR 94 CO 0.09 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 3i6k s VAL 95 N 0.59 3.29 -0.09 3.82 1.01 0.56 0.24 120.40 129.83 3i6k s VAL 95 Ca -0.09 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3i6k s VAL 95 Cb -0.12 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3i6k s VAL 95 CO 0.01 0.54 -0.12 -1.10 0.00 0.00 0.00 175.10 174.42 3i6k s GLN 96 N 0.04 1.83 0.12 2.72 -0.21 -0.04 -0.77 119.66 123.34 3i6k s GLN 96 Ca -0.03 -0.42 0.10 0.00 0.02 0.00 0.00 55.36 55.03 3i6k s GLN 96 Cb -0.14 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 3i6k s GLN 96 CO 0.04 -0.08 -0.26 0.50 -2.12 0.00 0.00 175.29 173.37 3i6k s ARG 97 N 1.03 1.40 -0.18 2.91 3.52 -0.44 -0.32 118.95 126.88 3i6k s ARG 97 Ca -0.07 -1.29 -0.07 0.00 -0.13 0.00 0.00 55.73 54.16 3i6k s ARG 97 Cb -0.15 -1.83 0.07 0.00 -1.56 0.00 0.00 34.95 31.49 3i6k s ARG 97 CO -0.01 0.44 0.39 1.41 -0.81 0.00 0.00 175.30 176.72 3i6k s MET 98 N -1.94 0.32 0.05 5.12 1.75 -0.27 -0.35 119.30 123.98 3i6k s MET 98 Ca 0.13 0.89 -0.08 0.00 -1.25 0.00 0.00 55.69 55.37 3i6k s MET 98 Cb -0.10 0.13 -0.00 0.00 2.84 0.00 0.00 34.83 37.70 3i6k s MET 98 CO 0.05 -0.21 0.17 1.52 -0.65 0.00 0.00 175.02 175.90 3i6k s TYR 99 N 2.06 0.11 -0.89 4.11 -0.85 -0.94 0.65 117.35 121.61 3i6k s TYR 99 Ca -0.05 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 3i6k s TYR 99 Cb -0.11 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.17 3i6k s TYR 99 CO -0.12 -0.44 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 3i6k n GLY 100 N 0.55 -1.16 3.14 5.49 0.00 -1.07 -0.53 105.19 111.62 3i6k n GLY 100 Ca -0.18 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 3i6k n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6k s ASP 102 N -1.62 4.52 -0.01 0.00 1.01 0.20 -1.88 116.67 118.87 3i6k s ASP 102 Ca -0.11 -0.27 0.05 0.00 0.71 0.00 0.00 52.55 52.92 3i6k s ASP 102 Cb -0.05 -0.96 -0.01 0.00 1.01 0.00 0.00 42.92 42.91 3i6k s ASP 102 CO -0.00 0.22 -0.16 0.68 0.21 0.00 0.00 175.17 176.13 3i6k s VAL 103 N -1.12 1.24 0.63 -1.27 -7.23 -0.56 -1.26 120.40 110.82 3i6k s VAL 103 Ca 0.20 -0.67 -0.11 0.00 -1.81 0.00 0.00 61.98 59.60 3i6k s VAL 103 Cb -0.11 -1.04 0.16 0.00 0.56 0.00 0.00 36.38 35.95 3i6k s VAL 103 CO 0.11 0.35 0.55 0.61 -0.31 0.00 0.00 175.10 176.41 3i6k n GLY 104 N 2.73 -2.69 0.33 2.32 0.00 -0.95 -1.50 105.19 105.44 3i6k n GLY 104 Ca -0.15 -1.46 0.16 0.00 0.00 0.00 0.00 46.02 44.57 3i6k n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i6k h SER 105 N -1.94 0.00 -0.03 1.61 0.02 -1.92 0.30 113.55 111.59 3i6k h SER 105 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3i6k h SER 105 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3i6k h SER 105 CO 0.13 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.92 3i6k n ASP 106 N -4.38 0.24 -1.01 3.07 5.75 -1.26 -4.71 116.55 114.25 3i6k n ASP 106 Ca 0.04 -1.72 -0.13 0.00 -0.01 0.00 0.00 54.79 52.97 3i6k n ASP 106 Cb 0.39 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 3i6k n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3i6k n TRP 107 N -0.51 0.00 -3.80 2.11 7.02 0.11 -4.97 117.44 117.39 3i6k n TRP 107 Ca 0.08 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.28 3i6k n TRP 107 Cb 0.07 -2.89 -0.03 0.00 -2.42 0.00 0.00 31.31 26.04 3i6k n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3i6k s ARG 108 N -3.09 3.49 0.21 -0.99 0.52 -1.26 -4.83 118.95 113.00 3i6k s ARG 108 Ca 0.00 -0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 54.49 3i6k s ARG 108 Cb 0.00 -2.91 -0.15 0.00 0.52 0.00 0.00 34.95 32.41 3i6k s ARG 108 CO 0.00 0.48 1.20 0.34 0.02 0.00 0.00 175.30 177.34 3i6k n PHE 109 N -0.39 1.53 0.00 -0.53 -0.00 -1.26 -2.24 117.46 114.56 3i6k n PHE 109 Ca -0.05 0.62 0.00 0.00 -0.00 0.00 0.00 57.45 58.02 3i6k n PHE 109 Cb 0.53 -2.32 0.00 0.00 -0.00 0.00 0.00 39.48 37.69 3i6k n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3i6k n LEU 110 N 1.91 2.24 -3.64 -2.13 0.00 -0.39 -4.77 117.00 110.21 3i6k n LEU 110 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.06 3i6k n LEU 110 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.63 3i6k n LEU 110 CO 0.61 0.36 0.77 -0.60 0.00 0.00 0.00 177.39 178.53 3i6k s ARG 111 N -1.85 0.46 0.40 1.96 3.52 -1.18 -4.99 118.95 117.27 3i6k s ARG 111 Ca 0.00 0.57 0.05 0.00 -0.13 0.00 0.00 55.73 56.22 3i6k s ARG 111 Cb 0.00 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.54 3i6k s ARG 111 CO 0.00 -0.06 0.03 0.20 -0.81 0.00 0.00 175.30 174.66 3i6k s GLY 112 N 0.29 2.44 -0.16 8.12 0.00 -1.26 0.58 107.32 117.32 3i6k s GLY 112 Ca 0.03 -2.03 -0.30 0.00 0.00 0.00 0.00 44.72 42.42 3i6k s GLY 112 CO -0.08 -2.02 1.04 -2.52 0.00 0.00 0.00 173.10 169.53 3i6k s TYR 113 N -2.91 -0.32 -0.20 1.90 -0.85 -1.06 -4.87 117.35 109.05 3i6k s TYR 113 Ca 0.32 0.51 -0.04 0.00 -0.52 0.00 0.00 57.07 57.34 3i6k s TYR 113 Cb 0.09 0.46 0.08 0.00 0.38 0.00 0.00 41.96 42.97 3i6k s TYR 113 CO 0.16 -0.32 0.17 -1.58 -1.52 0.00 0.00 175.55 172.46 3i6k s HIS 114 N -1.31 -0.07 -0.08 -3.49 2.46 -1.26 -2.58 115.29 108.96 3i6k s HIS 114 Ca 0.01 -0.07 -0.02 0.00 0.47 0.00 0.00 55.06 55.45 3i6k s HIS 114 Cb -0.01 -0.53 -0.03 0.00 -0.13 0.00 0.00 32.58 31.88 3i6k s HIS 114 CO -0.01 -0.59 0.00 -1.14 -2.47 0.00 0.00 174.74 170.54 3i6k s GLN 115 N 2.24 2.98 -0.02 2.88 2.00 0.21 -1.53 119.66 128.42 3i6k s GLN 115 Ca 0.05 -0.41 0.00 0.00 -2.00 0.00 0.00 55.36 53.00 3i6k s GLN 115 Cb -0.16 -2.79 0.02 0.00 0.80 0.00 0.00 33.01 30.88 3i6k s GLN 115 CO -0.13 0.70 0.02 -0.47 -0.50 0.00 0.00 175.29 174.91 3i6k s TYR 116 N -0.90 0.03 0.02 1.67 5.04 -0.44 -1.12 117.35 121.66 3i6k s TYR 116 Ca 0.14 0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 3i6k s TYR 116 Cb -0.11 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 3i6k s TYR 116 CO 0.03 -0.08 -0.04 0.00 -1.34 0.00 0.00 175.55 174.12 3i6k s ALA 117 N 0.90 0.30 -0.11 3.97 0.00 0.56 -0.22 121.76 127.16 3i6k s ALA 117 Ca -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3i6k s ALA 117 Cb -0.11 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3i6k s ALA 117 CO -0.02 -0.03 -0.22 -0.47 0.00 0.00 0.00 175.76 175.01 3i6k s TYR 118 N -0.86 2.61 -1.24 0.00 5.04 -0.39 -0.86 117.35 121.65 3i6k s TYR 118 Ca -0.07 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 53.50 3i6k s TYR 118 Cb -0.06 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.53 3i6k s TYR 118 CO -0.00 -0.41 0.26 -0.25 -1.34 0.00 0.00 175.55 173.81 3i6k n ASP 119 N 3.58 -4.25 0.00 4.32 8.00 0.14 -1.77 116.55 126.56 3i6k n ASP 119 Ca -0.19 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3i6k n ASP 119 Cb 0.53 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 3i6k n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6k n GLY 120 N -1.05 0.49 3.05 0.44 0.00 -1.26 -4.99 105.19 101.87 3i6k n GLY 120 Ca -0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 3i6k n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6k s LYS 121 N -1.47 0.74 -0.18 1.61 1.02 -0.73 -5.10 119.74 115.64 3i6k s LYS 121 Ca 0.00 -0.47 -0.42 0.00 0.02 0.00 0.00 55.97 55.10 3i6k s LYS 121 Cb 0.00 -0.70 -0.19 0.00 -0.52 0.00 0.00 37.83 36.42 3i6k s LYS 121 CO 0.00 0.18 1.35 -0.25 -0.92 0.00 0.00 175.35 175.71 3i6k n ASP 122 N 2.47 0.87 -0.04 2.83 8.00 -1.26 -1.26 116.55 128.15 3i6k n ASP 122 Ca -0.16 1.15 -0.08 0.00 0.71 0.00 0.00 54.79 56.42 3i6k n ASP 122 Cb 0.56 -0.97 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 3i6k n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6k n TYR 123 N 2.85 0.00 -3.64 1.24 9.36 0.69 -4.69 117.16 122.97 3i6k n TYR 123 Ca 0.24 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.31 3i6k n TYR 123 Cb 0.06 -0.34 -0.07 0.00 -0.63 0.00 0.00 39.34 38.35 3i6k n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3i6k s ILE 124 N -2.46 0.02 -0.07 2.97 2.07 -0.91 -2.39 121.20 120.43 3i6k s ILE 124 Ca -0.17 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 58.81 3i6k s ILE 124 Cb 0.04 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.82 3i6k s ILE 124 CO 0.25 -0.08 0.27 0.00 -1.91 0.00 0.00 174.94 173.47 3i6k s ALA 125 N -0.86 -0.68 0.35 1.50 0.00 -1.02 -1.32 121.76 119.72 3i6k s ALA 125 Ca -0.09 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 3i6k s ALA 125 Cb -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 3i6k s ALA 125 CO 0.06 -0.18 1.21 -1.17 0.00 0.00 0.00 175.76 175.68 3i6k s LEU 126 N -0.41 4.36 0.78 0.00 2.96 -0.58 -0.66 118.68 125.13 3i6k s LEU 126 Ca -0.05 2.47 -0.07 0.00 -0.22 0.00 0.00 54.13 56.26 3i6k s LEU 126 Cb -0.03 -3.79 0.12 0.00 0.50 0.00 0.00 46.19 42.98 3i6k s LEU 126 CO 0.02 -0.51 1.09 -0.54 -1.32 0.00 0.00 176.35 175.08 3i6k s LYS 127 N -1.92 1.63 0.25 1.98 1.02 -0.45 -4.55 119.74 117.69 3i6k s LYS 127 Ca 0.51 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 3i6k s LYS 127 Cb -0.35 -2.13 0.44 0.00 -0.52 0.00 0.00 37.83 35.28 3i6k s LYS 127 CO 0.45 -1.62 1.80 1.49 -0.92 0.00 0.00 175.35 176.56 3i6k h GLU 128 N -0.86 0.76 0.00 1.68 4.57 -1.90 -0.30 114.58 118.53 3i6k h GLU 128 Ca -0.42 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3i6k h GLU 128 Cb 1.28 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3i6k h GLU 128 CO 0.49 0.50 0.00 -0.40 -1.18 0.00 0.00 179.01 178.42 3i6k n ASP 129 N -4.75 0.00 -2.93 1.04 5.68 -1.26 -4.81 116.55 109.52 3i6k n ASP 129 Ca 0.15 -0.66 -0.17 0.00 -0.50 0.00 0.00 54.79 53.61 3i6k n ASP 129 Cb 0.32 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3i6k n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3i6k n LEU 130 N -0.98 -1.35 0.00 -2.12 4.77 -0.12 -4.75 117.00 112.45 3i6k n LEU 130 Ca 0.15 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3i6k n LEU 130 Cb 0.07 -2.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 3i6k n LEU 130 CO 0.11 0.04 0.15 0.54 -1.33 0.00 0.00 177.39 176.90 3i6k n ARG 131 N -3.30 0.00 -4.01 3.23 1.74 -1.26 -4.62 116.66 108.44 3i6k n ARG 131 Ca -0.07 -0.31 -0.11 0.00 -0.77 0.00 0.00 57.85 56.59 3i6k n ARG 131 Cb 0.57 -0.46 -0.04 0.00 -1.02 0.00 0.00 32.46 31.51 3i6k n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i6k s SER 132 N 0.00 0.21 0.09 0.55 1.04 -1.26 -5.01 113.70 109.32 3i6k s SER 132 Ca 0.00 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.35 3i6k s SER 132 Cb 0.00 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 3i6k s SER 132 CO 0.00 -1.24 -0.11 0.26 0.98 0.00 0.00 173.24 173.13 3i6k s TRP 133 N -3.56 1.10 -0.34 5.02 0.52 -1.26 -1.35 118.94 119.07 3i6k s TRP 133 Ca 0.24 -0.59 -0.04 0.00 0.02 0.00 0.00 56.10 55.74 3i6k s TRP 133 Cb -0.01 -0.60 0.06 0.00 -1.15 0.00 0.00 33.47 31.76 3i6k s TRP 133 CO 0.13 0.02 0.08 0.99 0.02 0.00 0.00 176.95 178.19 3i6k s THR 134 N -2.06 3.38 -0.45 2.01 2.01 0.17 -4.90 115.64 115.80 3i6k s THR 134 Ca 0.03 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.44 3i6k s THR 134 Cb -0.05 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.49 3i6k s THR 134 CO 0.01 -0.24 0.60 0.00 -0.69 0.00 0.00 174.62 174.30 3i6k s ALA 135 N 1.30 3.37 0.07 7.40 0.00 -1.26 -2.43 121.76 130.20 3i6k s ALA 135 Ca -0.02 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.34 3i6k s ALA 135 Cb -0.20 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3i6k s ALA 135 CO 0.00 -1.78 1.41 0.00 0.00 0.00 0.00 175.76 175.38 3i6k h ALA 136 N 8.87 -0.94 -4.29 0.00 0.00 -1.75 -3.46 119.26 117.68 3i6k h ALA 136 Ca -0.26 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3i6k h ALA 136 Cb 1.10 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3i6k h ALA 136 CO 0.88 -1.01 -0.07 -0.40 0.00 0.00 0.00 179.25 178.65 3i6k n ASP 137 N -4.66 1.78 -0.13 0.00 5.68 -1.26 -5.04 116.55 112.92 3i6k n ASP 137 Ca -0.07 -1.41 -0.11 0.00 -0.50 0.00 0.00 54.79 52.70 3i6k n ASP 137 Cb 0.32 0.03 0.02 0.00 -1.14 0.00 0.00 41.12 40.34 3i6k n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3i6k h MET 138 N 0.00 0.93 0.00 0.11 1.85 -1.99 -3.03 114.93 112.81 3i6k h MET 138 Ca -0.08 -0.42 -0.05 0.00 -0.61 0.00 0.00 59.70 58.55 3i6k h MET 138 Cb 0.25 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3i6k h MET 138 CO 0.12 1.08 -0.23 0.00 -0.40 0.00 0.00 176.91 177.48 3i6k h ALA 139 N 0.90 1.42 0.00 0.39 0.00 -1.96 -2.39 119.26 117.62 3i6k h ALA 139 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i6k h ALA 139 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i6k h ALA 139 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3i6k h ALA 140 N 1.77 1.00 -0.79 0.00 0.00 -1.84 -3.22 119.26 116.18 3i6k h ALA 140 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i6k h ALA 140 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3i6k h ALA 140 CO 0.03 0.00 0.52 1.96 0.00 0.00 0.00 179.25 181.76 3i6k h GLN 141 N 0.00 0.80 -0.61 0.00 1.08 -1.47 0.09 115.11 115.00 3i6k h GLN 141 Ca 0.00 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3i6k h GLN 141 Cb 0.77 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 3i6k h GLN 141 CO 0.00 0.53 0.38 1.15 -0.95 0.00 0.00 178.83 179.95 3i6k h THR 142 N 0.83 1.10 -0.13 -0.54 2.02 -1.73 -0.48 112.91 113.98 3i6k h THR 142 Ca 0.35 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3i6k h THR 142 Cb 0.29 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3i6k h THR 142 CO -0.13 0.14 -0.03 0.74 0.37 0.00 0.00 175.52 176.61 3i6k h THR 143 N 0.77 1.29 -0.26 3.16 2.02 -1.49 -2.41 112.91 115.99 3i6k h THR 143 Ca 0.24 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.47 3i6k h THR 143 Cb -0.02 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.01 3i6k h THR 143 CO -0.08 0.28 -0.55 0.50 0.37 0.00 0.00 175.52 176.04 3i6k h LYS 144 N -0.07 -0.48 -0.72 6.66 3.64 -0.59 0.51 116.57 125.51 3i6k h LYS 144 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i6k h LYS 144 Cb 0.46 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 3i6k h LYS 144 CO 0.01 -0.32 0.45 0.45 -2.27 0.00 0.00 179.45 177.77 3i6k h HIS 145 N -0.50 0.84 -0.21 1.91 3.86 -1.15 0.63 115.15 120.53 3i6k h HIS 145 Ca 0.05 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3i6k h HIS 145 Cb 0.64 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3i6k h HIS 145 CO -0.65 0.48 0.13 -0.22 0.86 0.00 0.00 177.93 178.53 3i6k h LYS 146 N 0.88 0.29 0.00 2.45 3.64 -0.83 -0.25 116.57 122.75 3i6k h LYS 146 Ca 0.29 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3i6k h LYS 146 Cb 0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3i6k h LYS 146 CO -0.11 0.23 -0.07 -1.49 -2.27 0.00 0.00 179.45 175.75 3i6k h TRP 147 N 0.26 0.00 0.03 1.91 4.06 0.61 -2.25 115.95 120.57 3i6k h TRP 147 Ca 0.08 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 3i6k h TRP 147 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 3i6k h TRP 147 CO -0.05 0.07 -0.01 0.93 -3.56 0.00 0.00 178.44 175.81 3i6k h GLU 148 N 0.00 -0.03 0.00 0.49 5.08 -0.41 -1.71 114.58 118.00 3i6k h GLU 148 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i6k h GLU 148 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3i6k h GLU 148 CO 0.01 0.56 -0.01 0.00 -1.00 0.00 0.00 179.01 178.57 3i6k h ALA 149 N -0.34 1.09 -0.41 3.43 0.00 -0.95 -1.16 119.26 120.92 3i6k h ALA 149 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i6k h ALA 149 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i6k h ALA 149 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3i6k n ALA 150 N -2.13 2.35 -3.83 0.00 0.00 -0.85 -4.99 120.51 111.07 3i6k n ALA 150 Ca -0.02 -1.05 -0.27 0.00 0.00 0.00 0.00 53.44 52.10 3i6k n ALA 150 Cb 0.12 -0.71 0.01 0.00 0.00 0.00 0.00 19.45 18.87 3i6k n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i6k n HIS 151 N 1.17 -1.76 -0.16 0.00 -0.00 -0.44 -4.87 115.22 109.17 3i6k n HIS 151 Ca 0.17 0.67 -0.11 0.00 -0.00 0.00 0.00 57.72 58.45 3i6k n HIS 151 Cb 0.52 -3.76 0.01 0.00 -0.00 0.00 0.00 29.99 26.76 3i6k n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i6k h VAL 152 N -1.87 1.27 -0.89 1.59 2.07 -1.56 -3.21 116.25 113.65 3i6k h VAL 152 Ca -0.64 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 65.62 3i6k h VAL 152 Cb 1.37 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 3i6k h VAL 152 CO 0.57 0.48 0.57 0.00 0.02 0.00 0.00 177.57 179.21 3i6k h ALA 153 N 0.89 1.73 -0.83 1.67 0.00 -1.90 -2.30 119.26 118.52 3i6k h ALA 153 Ca 0.11 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3i6k h ALA 153 Cb 0.79 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 3i6k h ALA 153 CO 0.07 0.05 0.48 0.93 0.00 0.00 0.00 179.25 180.78 3i6k h GLU 154 N 0.78 0.77 -0.37 0.00 4.39 -1.83 0.23 114.58 118.55 3i6k h GLU 154 Ca 0.43 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.96 3i6k h GLU 154 Cb 0.56 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3i6k h GLU 154 CO -0.19 0.51 -0.26 0.37 -1.16 0.00 0.00 179.01 178.28 3i6k h GLN 155 N 0.79 0.76 -0.19 2.33 5.75 -1.59 -2.74 115.11 120.22 3i6k h GLN 155 Ca 0.41 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3i6k h GLN 155 Cb 0.39 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3i6k h GLN 155 CO -0.25 0.94 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.73 3i6k h LEU 156 N 0.66 0.39 -0.46 -2.39 3.38 -1.12 -3.16 115.31 112.61 3i6k h LEU 156 Ca 0.08 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.74 3i6k h LEU 156 Cb 0.77 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3i6k h LEU 156 CO 0.06 0.68 0.10 -0.09 0.09 0.00 0.00 178.44 179.29 3i6k h ARG 157 N 0.09 0.23 -0.84 1.13 2.43 -0.49 0.33 114.38 117.26 3i6k h ARG 157 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3i6k h ARG 157 Cb 0.52 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3i6k h ARG 157 CO 0.02 0.15 0.55 0.00 -1.51 0.00 0.00 179.97 179.19 3i6k h ALA 158 N 1.35 1.54 0.22 2.80 0.00 -1.54 0.23 119.26 123.87 3i6k h ALA 158 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i6k h ALA 158 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i6k h ALA 158 CO -0.29 0.34 -0.11 -0.92 0.00 0.00 0.00 179.25 178.28 3i6k h TYR 159 N 0.97 -0.27 -0.68 0.00 3.20 -1.13 -1.06 116.97 118.00 3i6k h TYR 159 Ca 0.35 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.23 3i6k h TYR 159 Cb 0.15 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3i6k h TYR 159 CO -0.00 0.11 0.45 -0.07 -1.64 0.00 0.00 178.16 177.02 3i6k h LEU 160 N -0.82 0.77 0.00 2.82 3.38 -0.76 0.11 115.31 120.81 3i6k h LEU 160 Ca -0.03 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3i6k h LEU 160 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3i6k h LEU 160 CO 0.05 0.55 -0.97 -0.33 0.09 0.00 0.00 178.44 177.83 3i6k h GLU 161 N 0.91 0.00 0.00 1.13 5.08 -0.58 -3.37 114.58 117.75 3i6k h GLU 161 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3i6k h GLU 161 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3i6k h GLU 161 CO -0.06 0.75 0.00 0.41 -1.00 0.00 0.00 179.01 179.11 3i6k n GLY 162 N 1.34 0.28 0.45 -3.84 0.00 -0.40 -4.70 105.19 98.32 3i6k n GLY 162 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3i6k n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i6k h THR 163 N 0.00 0.02 -0.75 2.61 2.02 -1.58 0.12 112.91 115.35 3i6k h THR 163 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 3i6k h THR 163 Cb 0.00 0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 66.29 3i6k h THR 163 CO 0.00 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.62 3i6k h VAL 165 N -0.05 1.28 -0.93 0.00 2.07 -1.54 -1.20 116.25 115.87 3i6k h VAL 165 Ca 0.33 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.51 3i6k h VAL 165 Cb 0.57 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 3i6k h VAL 165 CO -0.80 0.47 0.58 -0.33 0.02 0.00 0.00 177.57 177.52 3i6k h GLU 166 N 0.64 0.96 0.08 1.57 5.08 0.94 -2.34 114.58 121.50 3i6k h GLU 166 Ca 0.07 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 3i6k h GLU 166 Cb 0.84 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3i6k h GLU 166 CO 0.07 0.64 -1.13 -1.49 -1.00 0.00 0.00 179.01 176.09 3i6k h TRP 167 N 0.99 0.33 -0.31 4.33 4.06 -0.87 -3.01 115.95 121.47 3i6k h TRP 167 Ca 0.43 -0.23 0.05 0.00 2.06 0.00 0.00 58.89 61.20 3i6k h TRP 167 Cb 0.31 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.41 3i6k h TRP 167 CO -0.02 1.17 0.00 1.25 -3.56 0.00 0.00 178.44 177.28 3i6k h LEU 168 N 0.06 -0.12 -0.64 -4.49 5.85 -0.71 0.29 115.31 115.54 3i6k h LEU 168 Ca -0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3i6k h LEU 168 Cb 1.87 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.99 3i6k h LEU 168 CO 0.18 -0.03 0.40 0.03 -0.34 0.00 0.00 178.44 178.68 3i6k h ARG 169 N 0.09 0.86 -0.42 1.25 3.08 -1.52 -0.65 114.38 117.07 3i6k h ARG 169 Ca 0.15 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3i6k h ARG 169 Cb 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3i6k h ARG 169 CO -0.25 0.60 0.22 -0.09 -1.07 0.00 0.00 179.97 179.38 3i6k h ARG 170 N 0.87 0.43 -0.51 0.04 2.43 -1.22 -1.23 114.38 115.19 3i6k h ARG 170 Ca 0.23 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3i6k h ARG 170 Cb -0.05 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3i6k h ARG 170 CO -0.05 0.29 0.27 1.88 -1.51 0.00 0.00 179.97 180.85 3i6k h TYR 171 N 0.45 0.72 -0.92 2.20 0.05 -0.80 -0.06 116.97 118.61 3i6k h TYR 171 Ca 0.18 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.09 3i6k h TYR 171 Cb 0.06 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.50 3i6k h TYR 171 CO -0.09 0.54 0.59 -0.07 -1.05 0.00 0.00 178.16 178.08 3i6k h LEU 172 N 0.68 0.67 0.03 3.88 3.38 -0.02 0.11 115.31 124.04 3i6k h LEU 172 Ca 0.18 0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.90 3i6k h LEU 172 Cb 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3i6k h LEU 172 CO -0.03 0.32 -1.72 1.05 0.09 0.00 0.00 178.44 178.15 3i6k h GLU 173 N 0.69 0.06 -0.74 1.13 4.11 -1.07 -2.70 114.58 116.07 3i6k h GLU 173 Ca 0.47 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.80 3i6k h GLU 173 Cb 0.79 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3i6k h GLU 173 CO -0.23 0.66 0.42 -0.91 0.07 0.00 0.00 179.01 179.02 3i6k h ASN 174 N 0.02 0.89 -0.83 3.06 -0.26 -0.35 -2.82 115.58 115.29 3i6k h ASN 174 Ca -0.29 -0.06 -0.58 0.00 -0.56 0.00 0.00 56.30 54.81 3i6k h ASN 174 Cb 2.01 -0.23 -0.35 0.00 -1.06 0.00 0.00 38.32 38.69 3i6k h ASN 174 CO 0.09 0.71 -0.09 0.61 -1.06 0.00 0.00 177.43 177.69 3i6k n GLY 175 N -1.25 6.09 0.42 2.83 0.00 0.34 -4.84 105.19 108.78 3i6k n GLY 175 Ca 0.08 -2.42 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 3i6k n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i6k h LYS 176 N 2.02 -0.22 -0.90 1.61 3.64 -1.21 0.28 116.57 121.79 3i6k h LYS 176 Ca 0.46 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 60.11 3i6k h LYS 176 Cb 1.27 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 3i6k h LYS 176 CO 1.07 -0.15 0.64 0.93 -2.27 0.00 0.00 179.45 179.67 3i6k h GLU 177 N -0.23 0.06 0.00 1.90 4.39 -1.88 0.11 114.58 118.93 3i6k h GLU 177 Ca 0.10 -0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 3i6k h GLU 177 Cb 0.50 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3i6k h GLU 177 CO -0.71 0.04 -1.63 2.41 -1.16 0.00 0.00 179.01 177.96 3i6k n THR 178 N -4.31 1.51 0.08 1.13 -1.04 -0.19 -4.50 114.28 106.96 3i6k n THR 178 Ca 0.19 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 3i6k n THR 178 Cb 0.93 -2.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 3i6k n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i6k h LEU 179 N -1.00 0.44 -3.42 -4.42 3.38 -0.48 -3.26 115.31 106.55 3i6k h LEU 179 Ca -0.36 -0.39 -0.36 0.00 0.09 0.00 0.00 57.88 56.86 3i6k h LEU 179 Cb 1.25 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 3i6k h LEU 179 CO -0.22 1.23 0.46 0.00 0.09 0.00 0.00 178.44 180.00 3i6k n GLN 180 N -3.66 1.88 -4.47 1.13 6.02 0.02 -4.89 117.38 113.41 3i6k n GLN 180 Ca -0.07 -1.82 -0.23 0.00 -0.01 0.00 0.00 57.00 54.87 3i6k n GLN 180 Cb 0.89 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 30.34 3i6k n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i6k s ARG 181 N -2.08 1.65 -0.05 -1.09 1.70 -1.23 -4.91 118.95 112.94 3i6k s ARG 181 Ca 0.35 -1.79 -0.01 0.00 -0.47 0.00 0.00 55.73 53.81 3i6k s ARG 181 Cb 0.28 -1.58 0.03 0.00 -0.57 0.00 0.00 34.95 33.12 3i6k s ARG 181 CO 0.02 0.22 0.01 0.95 -1.08 0.00 0.00 175.30 175.42 3i6k s THR 182 N -2.67 0.22 -0.41 4.99 -4.23 -1.26 -4.69 115.64 107.58 3i6k s THR 182 Ca 0.30 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 3i6k s THR 182 Cb -0.01 -0.38 0.02 0.00 1.34 0.00 0.00 72.50 73.47 3i6k s THR 182 CO 0.14 0.21 0.40 -1.81 -0.54 0.00 0.00 174.62 173.02 3i6k s ASP 183 N 1.75 6.17 0.57 3.99 1.01 -0.16 -4.91 116.67 125.10 3i6k s ASP 183 Ca 0.01 -0.70 -0.20 0.00 0.71 0.00 0.00 52.55 52.37 3i6k s ASP 183 Cb -0.13 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3i6k s ASP 183 CO -0.04 -0.53 1.27 0.00 0.21 0.00 0.00 175.17 176.08 3i6k s ALA 184 N 2.01 2.64 0.14 5.23 0.00 -1.26 -0.98 121.76 129.54 3i6k s ALA 184 Ca 0.10 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 3i6k s ALA 184 Cb -0.17 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 3i6k s ALA 184 CO 0.13 -1.26 1.30 -2.14 0.00 0.00 0.00 175.76 173.78 3i6k s PRO 185 N -3.14 4.39 -0.31 0.00 0.02 -1.26 -4.43 135.00 130.27 3i6k s PRO 185 Ca 0.75 1.98 -0.27 0.00 0.02 0.00 0.00 61.00 63.49 3i6k s PRO 185 Cb -0.35 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 30.93 3i6k s PRO 185 CO 0.39 -0.30 0.95 0.15 -0.33 0.00 0.00 177.00 177.86 3i6k s LYS 186 N 0.55 4.02 0.30 5.54 3.01 0.10 -4.82 119.74 128.45 3i6k s LYS 186 Ca 0.59 0.87 0.09 0.00 -1.01 0.00 0.00 55.97 56.51 3i6k s LYS 186 Cb -0.35 -3.73 -0.04 0.00 -1.01 0.00 0.00 37.83 32.70 3i6k s LYS 186 CO 0.33 -0.80 0.07 0.95 0.51 0.00 0.00 175.35 176.42 3i6k s THR 187 N 3.33 3.25 0.00 2.17 -4.23 -1.26 -0.60 115.64 118.31 3i6k s THR 187 Ca 0.40 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3i6k s THR 187 Cb -0.13 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3i6k s THR 187 CO 0.14 -0.28 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 3i6k n HIS 188 N -1.03 0.00 -4.70 3.99 1.44 -1.19 -5.00 115.22 108.74 3i6k n HIS 188 Ca -0.05 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.36 3i6k n HIS 188 Cb 0.60 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.58 3i6k n HIS 188 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3i6k s MET 189 N -2.00 1.81 0.01 -1.40 1.75 -1.26 -1.20 119.30 117.01 3i6k s MET 189 Ca 0.00 -1.12 0.05 0.00 -1.25 0.00 0.00 55.69 53.37 3i6k s MET 189 Cb 0.00 -2.04 -0.02 0.00 2.84 0.00 0.00 34.83 35.62 3i6k s MET 189 CO 0.00 0.51 -0.15 0.95 -0.65 0.00 0.00 175.02 175.68 3i6k s THR 190 N -0.91 1.15 0.01 10.11 -4.23 -0.59 -5.00 115.64 116.19 3i6k s THR 190 Ca 0.13 -0.81 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 3i6k s THR 190 Cb -0.10 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 3i6k s THR 190 CO 0.04 0.18 -0.26 -2.28 -0.54 0.00 0.00 174.62 171.77 3i6k s HIS 191 N -0.57 2.34 -0.13 3.99 2.46 -1.26 -1.29 115.29 120.83 3i6k s HIS 191 Ca 0.04 -0.42 -0.20 0.00 0.47 0.00 0.00 55.06 54.95 3i6k s HIS 191 Cb -0.07 -1.45 0.05 0.00 -0.13 0.00 0.00 32.58 30.98 3i6k s HIS 191 CO 0.00 0.05 0.51 -1.58 -2.47 0.00 0.00 174.74 171.25 3i6k s HIS 192 N -0.71 -0.51 0.06 3.88 5.04 -0.77 -5.01 115.29 117.28 3i6k s HIS 192 Ca 0.11 1.10 -0.30 0.00 -1.54 0.00 0.00 55.06 54.43 3i6k s HIS 192 Cb -0.10 0.22 -0.05 0.00 0.04 0.00 0.00 32.58 32.69 3i6k s HIS 192 CO 0.01 -0.37 1.12 0.00 -2.34 0.00 0.00 174.74 173.16 3i6k s ALA 193 N -0.37 3.32 -0.09 1.58 0.00 -1.26 -0.57 121.76 124.37 3i6k s ALA 193 Ca -0.05 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.70 3i6k s ALA 193 Cb -0.03 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 3i6k s ALA 193 CO 0.03 -0.34 0.47 0.28 0.00 0.00 0.00 175.76 176.20 3i6k n VAL 194 N 3.72 1.68 -1.99 0.00 0.31 -0.28 -4.87 118.33 116.90 3i6k n VAL 194 Ca 0.07 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3i6k n VAL 194 Cb 0.48 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3i6k n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i6k n SER 195 N -3.24 0.00 0.20 4.52 3.41 -0.95 -4.95 113.62 112.61 3i6k n SER 195 Ca -0.25 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.43 3i6k n SER 195 Cb 1.05 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 65.35 3i6k n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i6k h ASP 196 N 0.00 0.00 0.00 4.04 3.45 -2.03 -3.34 116.42 118.54 3i6k h ASP 196 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i6k h ASP 196 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3i6k h ASP 196 CO 0.00 0.30 0.00 0.00 -1.57 0.00 0.00 179.24 177.97 3i6k n HIS 197 N -3.39 0.00 -4.21 4.55 1.44 -1.26 -4.84 115.22 107.51 3i6k n HIS 197 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 3i6k n HIS 197 Cb 0.50 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.51 3i6k n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3i6k s GLU 198 N -0.34 0.95 -0.02 -1.40 2.02 -1.25 -0.99 118.70 117.67 3i6k s GLU 198 Ca 0.00 -1.27 -0.19 0.00 0.02 0.00 0.00 54.97 53.54 3i6k s GLU 198 Cb 0.00 -0.64 0.03 0.00 0.10 0.00 0.00 34.13 33.63 3i6k s GLU 198 CO 0.00 0.10 0.40 0.00 0.02 0.00 0.00 175.26 175.78 3i6k s ALA 199 N -2.66 -1.03 -0.17 5.21 0.00 0.55 -1.13 121.76 122.53 3i6k s ALA 199 Ca 0.10 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 3i6k s ALA 199 Cb -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3i6k s ALA 199 CO 0.01 -0.30 0.05 0.95 0.00 0.00 0.00 175.76 176.47 3i6k s THR 200 N -1.37 4.68 -0.27 0.00 -4.23 0.26 0.41 115.64 115.13 3i6k s THR 200 Ca -0.12 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 3i6k s THR 200 Cb -0.04 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 3i6k s THR 200 CO 0.05 0.48 0.07 -0.76 -0.54 0.00 0.00 174.62 173.92 3i6k s LEU 201 N 0.22 3.60 -0.17 4.79 1.43 0.09 -1.84 118.68 126.80 3i6k s LEU 201 Ca 0.03 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3i6k s LEU 201 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3i6k s LEU 201 CO 0.01 -0.11 -0.00 -0.60 0.23 0.00 0.00 176.35 175.87 3i6k s ARG 202 N 1.55 3.76 -0.19 1.70 3.52 -0.41 -1.24 118.95 127.63 3i6k s ARG 202 Ca 0.05 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 3i6k s ARG 202 Cb -0.16 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3i6k s ARG 202 CO 0.02 0.22 0.05 0.00 -0.81 0.00 0.00 175.30 174.79 3i6k s TRP 204 N 0.63 3.00 -0.09 0.00 0.52 -0.34 -1.14 118.94 121.52 3i6k s TRP 204 Ca 0.03 0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.17 3i6k s TRP 204 Cb -0.13 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 3i6k s TRP 204 CO 0.02 0.42 -0.00 0.00 0.02 0.00 0.00 176.95 177.41 3i6k s ALA 205 N -1.02 0.78 0.09 0.98 0.00 -0.10 -3.14 121.76 119.35 3i6k s ALA 205 Ca 0.18 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3i6k s ALA 205 Cb -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3i6k s ALA 205 CO 0.08 -0.52 -0.13 -0.51 0.00 0.00 0.00 175.76 174.68 3i6k s LEU 206 N 1.94 2.34 -1.39 0.00 1.43 0.23 -1.84 118.68 121.39 3i6k s LEU 206 Ca 0.04 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 3i6k s LEU 206 Cb -0.13 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.64 3i6k s LEU 206 CO -0.06 -0.14 1.15 -1.20 0.23 0.00 0.00 176.35 176.34 3i6k n SER 207 N 0.91 -6.08 -4.71 2.29 7.64 -1.08 0.00 113.62 112.60 3i6k n SER 207 Ca -0.18 -0.59 -0.29 0.00 1.01 0.00 0.00 58.87 58.82 3i6k n SER 207 Cb 0.56 -4.82 -0.07 0.00 -1.01 0.00 0.00 64.21 58.87 3i6k n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3i6k s PHE 208 N -3.32 3.02 -0.13 1.43 -0.12 -1.15 -4.55 117.98 113.16 3i6k s PHE 208 Ca 0.60 -0.02 -0.10 0.00 -0.05 0.00 0.00 56.93 57.36 3i6k s PHE 208 Cb -0.27 -1.53 0.04 0.00 -0.63 0.00 0.00 43.02 40.63 3i6k s PHE 208 CO 0.75 0.50 0.33 -0.47 -0.05 0.00 0.00 175.22 176.27 3i6k s TYR 209 N -1.43 -0.41 0.00 3.49 5.04 -0.15 -1.34 117.35 122.56 3i6k s TYR 209 Ca 0.27 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 3i6k s TYR 209 Cb -0.11 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.34 3i6k s TYR 209 CO 0.19 -0.23 0.00 -2.30 -1.34 0.00 0.00 175.55 171.88 3i6k n PRO 210 N 3.50 0.03 0.09 4.97 -0.02 -1.26 -0.99 135.00 141.32 3i6k n PRO 210 Ca -0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.25 3i6k n PRO 210 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.05 3i6k n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6k h ALA 211 N -2.00 0.62 -2.30 3.55 0.00 -1.95 -3.45 119.26 113.72 3i6k h ALA 211 Ca 0.00 -0.76 -0.54 0.00 0.00 0.00 0.00 54.91 53.61 3i6k h ALA 211 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i6k h ALA 211 CO 0.00 1.04 1.27 -2.00 0.00 0.00 0.00 179.25 179.55 3i6k s GLU 212 N -3.11 4.00 0.04 0.00 2.56 -1.26 -4.95 118.70 115.99 3i6k s GLU 212 Ca -0.00 2.52 -0.21 0.00 0.00 0.00 0.00 54.97 57.28 3i6k s GLU 212 Cb 0.11 -4.19 0.05 0.00 2.00 0.00 0.00 34.13 32.10 3i6k s GLU 212 CO 0.80 -1.11 0.49 -1.50 -0.56 0.00 0.00 175.26 173.38 3i6k s ILE 213 N 4.99 0.04 -0.10 -3.70 2.07 -1.26 -4.62 121.20 118.61 3i6k s ILE 213 Ca 0.90 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 59.87 3i6k s ILE 213 Cb -0.41 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.22 3i6k s ILE 213 CO 0.40 -0.16 -0.18 0.42 -1.91 0.00 0.00 174.94 173.51 3i6k s THR 214 N -2.42 1.67 -0.23 4.00 -4.23 -0.72 -5.02 115.64 108.69 3i6k s THR 214 Ca -0.05 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 3i6k s THR 214 Cb -0.01 -1.48 0.05 0.00 1.34 0.00 0.00 72.50 72.40 3i6k s THR 214 CO -0.02 0.47 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.68 3i6k s LEU 215 N 0.70 2.80 0.11 4.79 1.43 -1.26 -1.95 118.68 125.29 3i6k s LEU 215 Ca -0.12 -1.16 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 3i6k s LEU 215 Cb -0.16 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3i6k s LEU 215 CO 0.03 -0.19 -0.20 0.42 0.23 0.00 0.00 176.35 176.64 3i6k s THR 216 N 1.28 1.65 0.03 5.49 -4.23 -0.89 -4.97 115.64 114.00 3i6k s THR 216 Ca -0.05 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3i6k s THR 216 Cb -0.18 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 3i6k s THR 216 CO -0.07 -0.11 0.03 0.26 -0.54 0.00 0.00 174.62 174.19 3i6k s TRP 217 N -1.29 3.11 -0.02 3.99 0.52 -1.26 -0.80 118.94 123.19 3i6k s TRP 217 Ca 0.06 0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.27 3i6k s TRP 217 Cb -0.09 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 3i6k s TRP 217 CO 0.04 0.49 -0.01 -0.65 0.02 0.00 0.00 176.95 176.84 3i6k s GLN 218 N -1.88 0.27 -0.28 4.98 -0.21 -0.41 -2.55 119.66 119.57 3i6k s GLN 218 Ca 0.23 -0.00 -0.07 0.00 0.02 0.00 0.00 55.36 55.54 3i6k s GLN 218 Cb -0.12 -0.37 0.00 0.00 1.00 0.00 0.00 33.01 33.53 3i6k s GLN 218 CO 0.14 -0.05 0.07 0.50 -2.12 0.00 0.00 175.29 173.83 3i6k s ARG 219 N 0.55 3.17 0.00 2.91 3.52 -0.91 -0.67 118.95 127.52 3i6k s ARG 219 Ca -0.05 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 3i6k s ARG 219 Cb -0.08 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3i6k s ARG 219 CO -0.01 -0.40 0.00 -0.25 -0.81 0.00 0.00 175.30 173.83 3i6k n ASP 220 N 4.86 -3.74 0.00 -2.12 8.00 -0.24 -2.40 116.55 120.91 3i6k n ASP 220 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3i6k n ASP 220 Cb 0.48 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3i6k n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6k n GLY 221 N -0.31 1.67 3.09 0.44 0.00 -1.26 -5.12 105.19 103.70 3i6k n GLY 221 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3i6k n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6k s GLU 222 N -0.04 1.42 0.78 1.61 2.02 -1.01 -5.06 118.70 118.41 3i6k s GLU 222 Ca 0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.34 3i6k s GLU 222 Cb 0.00 -1.28 0.01 0.00 0.10 0.00 0.00 34.13 32.97 3i6k s GLU 222 CO 0.00 0.23 0.80 -0.25 0.02 0.00 0.00 175.26 176.05 3i6k n ASP 223 N 3.08 -0.31 -4.53 -0.19 10.43 -1.26 -2.13 116.55 121.64 3i6k n ASP 223 Ca -0.17 0.57 -0.25 0.00 2.57 0.00 0.00 54.79 57.51 3i6k n ASP 223 Cb 0.54 -1.34 -0.11 0.00 1.84 0.00 0.00 41.12 42.05 3i6k n ASP 223 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3i6k s GLN 224 N -3.38 1.80 -0.48 -1.24 -1.52 -1.06 -4.82 119.66 108.97 3i6k s GLN 224 Ca 0.68 -2.01 0.06 0.00 -1.95 0.00 0.00 55.36 52.14 3i6k s GLN 224 Cb -0.31 -1.22 0.18 0.00 -0.22 0.00 0.00 33.01 31.44 3i6k s GLN 224 CO 0.55 -0.13 0.61 0.99 -0.25 0.00 0.00 175.29 177.06 3i6k s THR 225 N -3.03 -0.62 0.00 -0.19 2.01 -1.26 -4.91 115.64 107.64 3i6k s THR 225 Ca 0.35 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3i6k s THR 225 Cb 0.09 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.25 3i6k s THR 225 CO 0.16 -0.35 0.00 0.41 -0.69 0.00 0.00 174.62 174.15 3i6k n THR 228 N 3.04 -0.04 -3.93 -0.82 -1.04 -1.26 -5.00 114.28 105.23 3i6k n THR 228 Ca 0.21 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.93 3i6k n THR 228 Cb 0.53 -0.03 -0.16 0.00 -1.82 0.00 0.00 70.33 68.85 3i6k n THR 228 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3i6k s GLU 229 N -4.97 1.70 -0.22 -2.82 2.12 0.58 -4.97 118.70 110.12 3i6k s GLU 229 Ca 0.00 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 54.70 3i6k s GLU 229 Cb 0.00 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 3i6k s GLU 229 CO 0.00 -0.38 0.07 -0.51 -0.54 0.00 0.00 175.26 173.90 3i6k s LEU 230 N 1.57 3.62 0.42 2.70 1.43 -1.26 -1.44 118.68 125.72 3i6k s LEU 230 Ca 0.01 -0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 3i6k s LEU 230 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3i6k s LEU 230 CO -0.08 0.06 0.75 0.68 0.23 0.00 0.00 176.35 177.99 3i6k s VAL 231 N 1.03 4.88 0.23 -1.59 -7.23 -1.21 -5.05 120.40 111.45 3i6k s VAL 231 Ca 0.04 0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 3i6k s VAL 231 Cb -0.14 -3.80 -0.09 0.00 0.56 0.00 0.00 36.38 32.92 3i6k s VAL 231 CO 0.03 -0.65 1.23 -0.70 -0.31 0.00 0.00 175.10 174.71 3i6k s GLU 232 N -4.22 4.46 0.15 4.82 2.12 -1.26 -4.76 118.70 120.01 3i6k s GLU 232 Ca 0.48 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.47 3i6k s GLU 232 Cb -0.10 -3.19 -0.11 0.00 0.26 0.00 0.00 34.13 30.99 3i6k s GLU 232 CO 0.37 -0.10 1.76 0.99 -0.54 0.00 0.00 175.26 177.74 3i6k s THR 233 N -0.38 2.42 0.20 -1.70 2.01 -1.26 -4.89 115.64 112.03 3i6k s THR 233 Ca 0.52 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.73 3i6k s THR 233 Cb -0.35 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3i6k s THR 233 CO 0.41 0.00 -0.15 0.00 -0.69 0.00 0.00 174.62 174.19 3i6k s ARG 234 N 2.08 1.85 0.02 4.92 1.70 -0.60 -4.93 118.95 123.99 3i6k s ARG 234 Ca 0.77 -1.40 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 3i6k s ARG 234 Cb -0.46 -2.02 -0.06 0.00 -0.57 0.00 0.00 34.95 31.84 3i6k s ARG 234 CO 0.34 0.41 0.60 -1.25 -1.08 0.00 0.00 175.30 174.32 3i6k s PRO 235 N -2.85 4.30 0.44 3.89 0.05 -1.26 0.16 135.00 139.72 3i6k s PRO 235 Ca 0.24 0.76 0.24 0.00 0.05 0.00 0.00 61.00 62.29 3i6k s PRO 235 Cb -0.08 -3.31 0.66 0.00 0.05 0.00 0.00 34.50 31.82 3i6k s PRO 235 CO 0.13 0.45 1.72 0.00 0.05 0.00 0.00 177.00 179.35 3i6k h ALA 236 N 5.30 0.95 0.00 8.56 0.00 -1.38 -3.47 119.26 129.22 3i6k h ALA 236 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3i6k h ALA 236 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i6k h ALA 236 CO 0.68 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3i6k n GLY 237 N 0.67 1.24 0.90 0.00 0.00 -1.26 -4.90 105.19 101.84 3i6k n GLY 237 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3i6k n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6k n ASP 238 N 0.00 3.33 0.00 1.61 5.68 -1.26 -4.92 116.55 120.99 3i6k n ASP 238 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 3i6k n ASP 238 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 3i6k n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i6k n GLY 239 N 0.87 0.82 3.79 6.12 0.00 -1.26 -5.09 105.19 110.44 3i6k n GLY 239 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3i6k n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6k s THR 240 N -2.00 1.45 0.16 2.61 -4.23 -1.26 -4.84 115.64 107.54 3i6k s THR 240 Ca 0.00 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.73 3i6k s THR 240 Cb 0.00 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 3i6k s THR 240 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 3i6k s PHE 241 N -2.81 1.34 0.13 3.99 0.08 -0.45 -0.99 117.98 119.27 3i6k s PHE 241 Ca 0.18 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.50 3i6k s PHE 241 Cb 0.01 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 3i6k s PHE 241 CO 0.11 0.08 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.56 3i6k s GLN 242 N -3.76 0.97 -0.29 0.44 -0.21 0.12 -2.62 119.66 114.31 3i6k s GLN 242 Ca 0.19 -1.34 -0.25 0.00 0.02 0.00 0.00 55.36 53.98 3i6k s GLN 242 Cb 0.03 -0.57 0.16 0.00 1.00 0.00 0.00 33.01 33.63 3i6k s GLN 242 CO 0.02 0.07 1.27 0.21 -2.12 0.00 0.00 175.29 174.74 3i6k s LYS 243 N -3.42 0.25 0.06 2.91 2.20 -0.77 -1.55 119.74 119.42 3i6k s LYS 243 Ca 0.12 0.29 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 3i6k s LYS 243 Cb 0.01 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 3i6k s LYS 243 CO -0.00 -0.03 -0.06 1.67 -0.36 0.00 0.00 175.35 176.57 3i6k s TRP 244 N 0.10 0.67 -0.05 4.03 1.48 -1.26 -0.92 118.94 122.98 3i6k s TRP 244 Ca 0.06 -0.73 0.03 0.00 -1.06 0.00 0.00 56.10 54.39 3i6k s TRP 244 Cb -0.05 -0.41 0.01 0.00 -1.16 0.00 0.00 33.47 31.86 3i6k s TRP 244 CO -0.12 -0.17 -0.13 0.00 -4.06 0.00 0.00 176.95 172.48 3i6k s ALA 245 N -2.55 1.25 0.01 2.67 0.00 -0.30 -3.32 121.76 119.52 3i6k s ALA 245 Ca -0.01 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3i6k s ALA 245 Cb -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3i6k s ALA 245 CO -0.03 0.17 -0.25 0.00 0.00 0.00 0.00 175.76 175.65 3i6k s ALA 246 N 0.36 2.27 0.02 0.00 0.00 -0.52 0.15 121.76 124.04 3i6k s ALA 246 Ca -0.09 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.76 3i6k s ALA 246 Cb -0.13 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3i6k s ALA 246 CO 0.02 0.54 -0.16 0.14 0.00 0.00 0.00 175.76 176.30 3i6k s VAL 247 N -0.71 1.29 -0.22 0.00 -7.23 -0.38 -0.30 120.40 112.84 3i6k s VAL 247 Ca 0.11 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 3i6k s VAL 247 Cb -0.10 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 3i6k s VAL 247 CO 0.01 0.21 0.22 -0.69 -0.31 0.00 0.00 175.10 174.53 3i6k s VAL 248 N -0.61 5.33 0.07 1.32 1.01 -1.26 -0.73 120.40 125.52 3i6k s VAL 248 Ca 0.05 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3i6k s VAL 248 Cb -0.07 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3i6k s VAL 248 CO 0.01 0.34 -0.15 0.68 0.00 0.00 0.00 175.10 175.97 3i6k s VAL 249 N 0.98 1.21 0.21 2.92 -7.23 0.16 -4.94 120.40 113.72 3i6k s VAL 249 Ca 0.11 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3i6k s VAL 249 Cb -0.13 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 3i6k s VAL 249 CO 0.04 -0.16 1.40 -2.16 -0.31 0.00 0.00 175.10 173.91 3i6k s PRO 250 N -1.66 4.31 -0.03 4.82 0.04 -1.26 -0.33 135.00 140.88 3i6k s PRO 250 Ca -0.00 2.19 -0.35 0.00 0.04 0.00 0.00 61.00 62.88 3i6k s PRO 250 Cb -0.10 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.15 3i6k s PRO 250 CO 0.02 -0.38 1.73 0.43 0.04 0.00 0.00 177.00 178.85 3i6k n SER 251 N 2.76 3.06 0.00 6.66 7.64 -0.16 -1.86 113.62 131.72 3i6k n SER 251 Ca 0.08 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3i6k n SER 251 Cb 0.41 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3i6k n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i6k n GLY 252 N 3.95 0.57 0.31 0.23 0.00 -1.26 -4.93 105.19 104.06 3i6k n GLY 252 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3i6k n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i6k n GLN 253 N -1.62 2.40 -0.20 1.61 6.02 -0.78 -4.76 117.38 120.05 3i6k n GLN 253 Ca 0.00 -2.22 -0.00 0.00 -0.01 0.00 0.00 57.00 54.76 3i6k n GLN 253 Cb 0.00 -1.38 0.10 0.00 1.02 0.00 0.00 30.24 29.98 3i6k n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3i6k h GLU 254 N 0.71 0.41 0.00 -1.09 3.07 -1.92 -1.99 114.58 113.77 3i6k h GLU 254 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3i6k h GLU 254 Cb 0.90 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3i6k h GLU 254 CO 0.04 0.27 -0.00 -0.56 -1.40 0.00 0.00 179.01 177.36 3i6k h GLN 255 N 0.42 0.00 0.00 2.33 -0.00 -1.86 -0.92 115.11 115.08 3i6k h GLN 255 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 3i6k h GLN 255 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3i6k h GLN 255 CO -0.29 0.00 0.00 0.54 -0.00 0.00 0.00 178.83 179.08 3i6k n ARG 256 N -3.32 0.05 -4.00 0.06 1.74 -0.75 -4.79 116.66 105.65 3i6k n ARG 256 Ca -0.03 0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.90 3i6k n ARG 256 Cb 0.08 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3i6k n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i6k s TYR 257 N -3.05 3.40 -0.06 -1.55 1.51 -0.35 -1.08 117.35 116.17 3i6k s TYR 257 Ca 0.10 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.38 3i6k s TYR 257 Cb 0.13 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 3i6k s TYR 257 CO 0.41 0.59 0.13 0.95 -1.11 0.00 0.00 175.55 176.52 3i6k s THR 258 N -1.32 -0.05 0.03 -0.71 -4.23 0.15 -4.51 115.64 105.00 3i6k s THR 258 Ca 0.27 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.77 3i6k s THR 258 Cb -0.12 -0.21 -0.06 0.00 1.34 0.00 0.00 72.50 73.44 3i6k s THR 258 CO 0.19 0.07 0.56 0.00 -0.54 0.00 0.00 174.62 174.90 3i6k s HIS 260 N -0.67 2.47 -0.12 0.00 3.76 0.02 -0.32 115.29 120.44 3i6k s HIS 260 Ca 0.29 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 3i6k s HIS 260 Cb -0.19 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 3i6k s HIS 260 CO 0.17 -0.70 -0.13 0.08 -0.85 0.00 0.00 174.74 173.32 3i6k s VAL 261 N 1.26 3.10 -0.04 -0.90 1.01 -0.58 -2.09 120.40 122.15 3i6k s VAL 261 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3i6k s VAL 261 Cb -0.13 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3i6k s VAL 261 CO -0.09 0.53 -0.08 -1.58 0.00 0.00 0.00 175.10 173.88 3i6k s GLN 262 N 0.16 1.05 -0.18 2.72 2.00 -0.83 -0.68 119.66 123.91 3i6k s GLN 262 Ca -0.07 -0.25 -0.24 0.00 -2.00 0.00 0.00 55.36 52.80 3i6k s GLN 262 Cb -0.15 -0.97 0.06 0.00 0.80 0.00 0.00 33.01 32.76 3i6k s GLN 262 CO 0.05 0.03 0.64 -1.58 -0.50 0.00 0.00 175.29 173.92 3i6k s HIS 263 N 0.54 -0.67 -1.04 1.67 5.65 -1.26 -1.75 115.29 118.43 3i6k s HIS 263 Ca -0.09 1.50 0.04 0.00 0.25 0.00 0.00 55.06 56.76 3i6k s HIS 263 Cb -0.12 0.28 0.16 0.00 -1.18 0.00 0.00 32.58 31.71 3i6k s HIS 263 CO 0.01 -0.41 1.10 -0.85 -0.65 0.00 0.00 174.74 173.93 3i6k n GLU 264 N 2.17 0.01 0.00 2.88 0.28 -1.26 -0.75 120.64 123.96 3i6k n GLU 264 Ca -0.16 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 3i6k n GLU 264 Cb 0.56 -1.50 0.47 0.00 1.43 0.00 0.00 31.44 32.40 3i6k n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i6k n GLY 265 N -1.11 -0.71 3.70 -1.84 0.00 -1.26 -4.86 105.19 99.10 3i6k n GLY 265 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3i6k n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6k s LEU 266 N -2.47 3.93 0.14 0.99 1.43 0.07 -4.51 118.68 118.25 3i6k s LEU 266 Ca 0.27 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 3i6k s LEU 266 Cb 0.20 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3i6k s LEU 266 CO 0.50 0.25 1.63 -0.65 0.23 0.00 0.00 176.35 178.30 3i6k h PRO 267 N 6.15 -0.30 -4.42 1.29 0.11 -1.89 -3.44 132.00 129.49 3i6k h PRO 267 Ca -0.43 0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.52 3i6k h PRO 267 Cb 1.18 0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.20 3i6k h PRO 267 CO 0.67 -0.20 -0.69 -1.59 -0.21 0.00 0.00 178.00 175.97 3i6k s LYS 268 N -6.06 0.68 0.46 1.05 -2.85 -1.26 -5.14 119.74 106.63 3i6k s LYS 268 Ca -0.15 -1.19 -0.23 0.00 -1.00 0.00 0.00 55.97 53.40 3i6k s LYS 268 Cb 0.11 -0.02 -0.09 0.00 -2.06 0.00 0.00 37.83 35.78 3i6k s LYS 268 CO 0.67 -0.05 1.15 -2.30 0.10 0.00 0.00 175.35 174.92 3i6k n PRO 269 N 0.27 1.55 -3.56 1.78 -0.02 -1.26 -4.98 135.00 128.78 3i6k n PRO 269 Ca -0.15 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 3i6k n PRO 269 Cb 0.60 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 3i6k n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i6k s LEU 270 N -1.59 4.30 -0.22 2.45 1.43 0.14 -4.94 118.68 120.26 3i6k s LEU 270 Ca 0.65 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 3i6k s LEU 270 Cb -0.50 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.58 3i6k s LEU 270 CO 0.55 0.10 -0.12 -0.89 0.23 0.00 0.00 176.35 176.22 3i6k s THR 271 N -1.53 1.86 -0.09 5.49 2.01 -1.26 -1.53 115.64 120.59 3i6k s THR 271 Ca 0.37 -1.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 3i6k s THR 271 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3i6k s THR 271 CO 0.20 0.14 0.07 -0.76 -0.69 0.00 0.00 174.62 173.59 3i6k s LEU 272 N 1.29 3.97 0.01 4.42 1.43 0.56 -4.96 118.68 125.40 3i6k s LEU 272 Ca -0.03 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3i6k s LEU 272 Cb -0.17 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3i6k s LEU 272 CO -0.08 0.38 -0.04 -0.60 0.23 0.00 0.00 176.35 176.25 3i6k s ARG 273 N -1.04 0.28 -0.83 1.70 3.52 -1.26 -0.98 118.95 120.34 3i6k s ARG 273 Ca 0.15 -0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.15 3i6k s ARG 273 Cb -0.12 -0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.20 3i6k s ARG 273 CO 0.04 0.02 1.28 -0.46 -0.81 0.00 0.00 175.30 175.37 3i6k s TRP 274 N -0.68 2.48 0.00 5.12 -0.11 -1.26 -5.01 118.94 119.48 3i6k s TRP 274 Ca -0.06 -0.48 0.00 0.00 1.22 0.00 0.00 56.10 56.78 3i6k s TRP 274 Cb -0.05 -4.58 0.00 0.00 -1.50 0.00 0.00 33.47 27.34 3i6k s TRP 274 CO -0.00 -1.93 0.46 -0.85 -4.62 0.00 0.00 176.95 170.01