#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 6.38 0.15 1.61 0.01 -1.26 -3.75 113.70 116.84 3i6k s SER 2 Ca 0.00 1.27 -0.05 0.00 1.31 0.00 0.00 55.95 58.48 3i6k s SER 2 Cb 0.00 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 3i6k s SER 2 CO 0.00 -0.64 0.17 -1.00 0.41 0.00 0.00 173.24 172.18 3i6k s HIS 3 N -2.78 0.64 0.13 2.43 0.09 -0.83 -4.99 115.29 109.99 3i6k s HIS 3 Ca 0.53 -1.01 -0.20 0.00 -0.00 0.00 0.00 55.06 54.38 3i6k s HIS 3 Cb -0.10 -0.28 0.05 0.00 -0.00 0.00 0.00 32.58 32.25 3i6k s HIS 3 CO 0.42 -0.62 0.52 -1.54 -0.00 0.00 0.00 174.74 173.52 3i6k s SER 4 N -3.01 -0.43 -0.05 1.40 1.04 -1.26 -0.96 113.70 110.42 3i6k s SER 4 Ca 0.21 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.58 3i6k s SER 4 Cb 0.05 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.72 3i6k s SER 4 CO 0.01 -0.89 -0.12 -0.32 0.98 0.00 0.00 173.24 172.91 3i6k s MET 5 N -3.56 1.51 0.02 4.02 1.75 -0.92 -1.07 119.30 121.04 3i6k s MET 5 Ca 0.01 -0.40 0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3i6k s MET 5 Cb 0.00 -1.29 -0.02 0.00 2.84 0.00 0.00 34.83 36.37 3i6k s MET 5 CO -0.11 0.06 -0.13 1.03 -0.65 0.00 0.00 175.02 175.23 3i6k s ARG 6 N 0.51 0.92 -0.12 4.11 1.81 0.06 -1.70 118.95 124.55 3i6k s ARG 6 Ca -0.11 -0.64 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 3i6k s ARG 6 Cb -0.14 -0.91 0.01 0.00 -0.45 0.00 0.00 34.95 33.46 3i6k s ARG 6 CO 0.03 0.23 -0.22 0.71 -0.68 0.00 0.00 175.30 175.37 3i6k s TYR 7 N -0.67 2.49 -0.18 -0.53 2.02 0.43 -0.10 117.35 120.81 3i6k s TYR 7 Ca 0.02 -1.13 -0.02 0.00 -0.37 0.00 0.00 57.07 55.56 3i6k s TYR 7 Cb -0.07 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3i6k s TYR 7 CO 0.01 -0.50 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.35 3i6k s PHE 8 N 0.61 2.91 -0.10 2.71 0.08 -0.09 -2.33 117.98 121.77 3i6k s PHE 8 Ca -0.13 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.17 3i6k s PHE 8 Cb -0.17 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3i6k s PHE 8 CO 0.03 -0.38 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.53 3i6k s PHE 9 N 0.94 2.66 -0.14 0.36 0.08 0.75 -1.63 117.98 121.00 3i6k s PHE 9 Ca -0.01 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.32 3i6k s PHE 9 Cb -0.15 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3i6k s PHE 9 CO 0.00 -0.23 -0.16 0.99 -0.10 0.00 0.00 175.22 175.71 3i6k s THR 10 N 0.15 1.67 -0.16 0.64 2.01 0.34 -1.33 115.64 118.96 3i6k s THR 10 Ca -0.10 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.20 3i6k s THR 10 Cb -0.16 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.83 3i6k s THR 10 CO 0.06 0.48 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.71 3i6k s SER 11 N 1.21 3.17 -0.15 3.53 0.15 -0.07 -0.78 113.70 120.76 3i6k s SER 11 Ca -0.01 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 3i6k s SER 11 Cb -0.14 -1.47 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 3i6k s SER 11 CO -0.07 0.04 -0.05 -0.69 1.20 0.00 0.00 173.24 173.68 3i6k s VAL 12 N 1.03 1.00 0.36 4.45 1.01 0.10 -0.36 120.40 128.00 3i6k s VAL 12 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 3i6k s VAL 12 Cb -0.14 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 3i6k s VAL 12 CO -0.07 0.18 1.01 -0.94 0.00 0.00 0.00 175.10 175.28 3i6k s SER 13 N 1.69 7.01 -0.44 3.32 1.04 -0.63 -0.14 113.70 125.54 3i6k s SER 13 Ca 0.02 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.47 3i6k s SER 13 Cb -0.14 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.57 3i6k s SER 13 CO -0.08 -0.31 0.46 -2.11 0.98 0.00 0.00 173.24 172.18 3i6k n ARG 14 N 0.22 0.29 -1.68 4.02 1.85 -1.26 -3.66 116.66 116.44 3i6k n ARG 14 Ca 0.04 -2.83 -0.49 0.00 -1.00 0.00 0.00 57.85 53.57 3i6k n ARG 14 Cb 0.50 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.25 3i6k n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3i6k n PRO 15 N 2.87 2.12 -0.60 2.89 -0.02 -1.26 -0.86 135.00 140.13 3i6k n PRO 15 Ca 0.26 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3i6k n PRO 15 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3i6k n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6k n GLY 16 N 4.28 0.70 0.69 -1.23 0.00 -1.26 -4.89 105.19 103.48 3i6k n GLY 16 Ca 0.22 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.60 0.36 0.00 1.61 1.74 -0.04 -5.13 116.66 112.59 3i6k n ARG 17 Ca 0.00 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 3i6k n ARG 17 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.22 -1.79 3.80 -0.13 0.00 -1.24 -4.96 105.19 100.66 3i6k n GLY 18 Ca 0.06 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 3.02 0.38 1.61 0.41 -1.26 -4.54 118.70 118.32 3i6k s GLU 19 Ca 0.00 1.12 -0.25 0.00 -0.41 0.00 0.00 54.97 55.43 3i6k s GLU 19 Cb 0.00 -2.00 -0.12 0.00 -1.78 0.00 0.00 34.13 30.23 3i6k s GLU 19 CO 0.00 -1.04 0.90 -2.30 -0.49 0.00 0.00 175.26 172.33 3i6k n PRO 20 N -2.64 1.15 -3.17 0.39 -0.02 -1.26 -4.79 135.00 124.65 3i6k n PRO 20 Ca 0.08 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 3i6k n PRO 20 Cb 0.53 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 3i6k n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i6k s ARG 21 N -1.78 4.33 -0.07 -0.52 6.06 0.80 -4.90 118.95 122.86 3i6k s ARG 21 Ca 0.62 0.88 -0.01 0.00 -2.50 0.00 0.00 55.73 54.72 3i6k s ARG 21 Cb -0.61 -3.26 0.03 0.00 0.06 0.00 0.00 34.95 31.17 3i6k s ARG 21 CO 0.58 0.59 -0.01 0.12 -2.50 0.00 0.00 175.30 174.08 3i6k s PHE 22 N -1.01 0.72 -0.05 5.12 5.36 -1.26 -0.72 117.98 126.13 3i6k s PHE 22 Ca 0.32 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 56.12 3i6k s PHE 22 Cb -0.21 -0.81 0.00 0.00 -0.34 0.00 0.00 43.02 41.67 3i6k s PHE 22 CO 0.21 -0.32 -0.16 0.42 -1.46 0.00 0.00 175.22 173.91 3i6k s ILE 23 N 1.82 1.41 -0.05 3.12 1.01 0.04 -1.67 121.20 126.88 3i6k s ILE 23 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3i6k s ILE 23 Cb -0.13 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3i6k s ILE 23 CO -0.05 0.41 -0.14 0.00 0.00 0.00 0.00 174.94 175.16 3i6k s ALA 24 N 0.23 1.33 0.03 9.38 0.00 -0.45 -0.51 121.76 131.77 3i6k s ALA 24 Ca -0.08 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3i6k s ALA 24 Cb -0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3i6k s ALA 24 CO 0.03 0.20 -0.13 0.14 0.00 0.00 0.00 175.76 176.00 3i6k s VAL 25 N 0.27 1.04 -0.05 0.00 -7.23 -0.65 -0.41 120.40 113.37 3i6k s VAL 25 Ca -0.07 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.23 3i6k s VAL 25 Cb -0.12 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 3i6k s VAL 25 CO 0.02 0.01 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.74 3i6k s GLY 26 N -1.06 1.29 0.01 2.32 0.00 -0.84 -0.92 107.32 108.13 3i6k s GLY 26 Ca 0.01 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.75 3i6k s GLY 26 CO 0.01 -0.69 -0.22 -0.19 0.00 0.00 0.00 173.10 172.01 3i6k s TYR 27 N -0.23 1.99 -0.26 1.90 1.51 0.85 -0.90 117.35 122.22 3i6k s TYR 27 Ca -0.02 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3i6k s TYR 27 Cb -0.13 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3i6k s TYR 27 CO 0.03 0.04 -0.08 0.08 -1.11 0.00 0.00 175.55 174.51 3i6k s VAL 28 N -0.67 2.57 0.00 0.71 1.01 0.61 -0.76 120.40 123.88 3i6k s VAL 28 Ca 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3i6k s VAL 28 Cb -0.09 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3i6k s VAL 28 CO 0.01 0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.66 3i6k n ASP 29 N 4.57 0.00 -1.32 3.32 8.00 -0.24 -1.88 116.55 129.00 3i6k n ASP 29 Ca -0.15 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.46 3i6k n ASP 29 Cb 0.45 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.86 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 5.79 3.82 -4.49 -2.24 8.00 -1.26 -4.88 116.55 121.28 3i6k n ASP 30 Ca 0.00 -2.02 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 3i6k n ASP 30 Cb 0.00 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 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 -1.10 3.96 0.33 -3.53 2.01 -0.79 -5.03 115.64 111.49 3i6k s THR 31 Ca 0.47 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 3i6k s THR 31 Cb 0.25 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 3i6k s THR 31 CO 0.32 0.48 0.76 -1.58 -0.69 0.00 0.00 174.62 173.90 3i6k s GLN 32 N 0.51 4.03 0.00 4.92 0.74 -1.26 -0.28 119.66 128.31 3i6k s GLN 32 Ca -0.02 0.72 0.00 0.00 0.05 0.00 0.00 55.36 56.10 3i6k s GLN 32 Cb -0.14 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.55 3i6k s GLN 32 CO 0.02 0.14 0.00 1.97 -0.55 0.00 0.00 175.29 176.88 3i6k n PHE 33 N -0.37 0.00 -4.11 1.67 -1.74 -0.08 -4.44 117.46 108.39 3i6k n PHE 33 Ca 0.04 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.84 3i6k n PHE 33 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 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 -0.75 0.16 0.09 1.97 -7.23 -1.23 0.35 120.40 113.77 3i6k s VAL 34 Ca 0.00 -1.84 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 3i6k s VAL 34 Cb 0.00 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.23 3i6k s VAL 34 CO 0.00 -0.73 0.51 0.00 -0.31 0.00 0.00 175.10 174.57 3i6k s ARG 35 N -3.98 1.10 -0.08 4.82 1.70 -0.74 -1.99 118.95 119.78 3i6k s ARG 35 Ca 0.15 -0.41 -0.04 0.00 -0.47 0.00 0.00 55.73 54.96 3i6k s ARG 35 Cb 0.08 0.50 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 3i6k s ARG 35 CO -0.04 -0.43 0.18 0.12 -1.08 0.00 0.00 175.30 174.05 3i6k s PHE 36 N -3.10 -0.22 -0.23 5.89 5.36 0.46 -1.06 117.98 125.07 3i6k s PHE 36 Ca -0.02 0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 56.54 3i6k s PHE 36 Cb -0.00 -0.06 0.07 0.00 -0.34 0.00 0.00 43.02 42.69 3i6k s PHE 36 CO -0.07 -0.20 0.00 0.34 -1.46 0.00 0.00 175.22 173.84 3i6k s ASP 37 N 1.31 3.55 0.26 6.13 -1.08 -1.26 -1.35 116.67 124.24 3i6k s ASP 37 Ca -0.08 -1.14 0.13 0.00 -0.52 0.00 0.00 52.55 50.94 3i6k s ASP 37 Cb -0.11 -0.93 0.73 0.00 -1.46 0.00 0.00 42.92 41.15 3i6k s ASP 37 CO -0.07 -0.29 1.34 -1.54 0.52 0.00 0.00 175.17 175.13 3i6k n SER 38 N 4.82 0.35 0.05 -0.34 3.41 -0.67 0.97 113.62 122.21 3i6k n SER 38 Ca -0.09 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 3i6k n SER 38 Cb 0.45 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3i6k n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i6k n ASP 39 N -2.00 0.61 -3.79 4.04 8.00 -1.26 -4.94 116.55 117.21 3i6k n ASP 39 Ca -0.01 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3i6k n ASP 39 Cb 0.19 0.79 0.25 0.00 -0.02 0.00 0.00 41.12 42.33 3i6k n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6k s ALA 40 N -3.29 0.12 -0.16 2.24 0.00 0.27 -5.01 121.76 115.94 3i6k s ALA 40 Ca 0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 3i6k s ALA 40 Cb 0.13 -2.94 -0.23 0.00 0.00 0.00 0.00 23.12 20.08 3i6k s ALA 40 CO 0.80 -3.89 0.20 0.00 0.00 0.00 0.00 175.76 172.88 3i6k n ALA 41 N -5.02 1.10 0.01 0.00 0.00 -1.26 -4.39 120.51 110.96 3i6k n ALA 41 Ca 0.12 -0.77 0.01 0.00 0.00 0.00 0.00 53.44 52.80 3i6k n ALA 41 Cb 0.59 -0.51 0.33 0.00 0.00 0.00 0.00 19.45 19.87 3i6k n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i6k h SER 42 N 0.04 0.46 -0.92 0.00 4.64 -1.95 -3.46 113.55 112.37 3i6k h SER 42 Ca -0.46 -0.07 -0.34 0.00 -0.47 0.00 0.00 61.79 60.44 3i6k h SER 42 Cb 2.00 -0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 63.85 3i6k h SER 42 CO 0.03 0.50 -0.32 0.00 -0.87 0.00 0.00 176.83 176.17 3i6k n GLN 43 N -4.32 -1.18 -4.48 4.77 1.13 -1.26 -4.99 117.38 107.05 3i6k n GLN 43 Ca 0.02 1.07 -0.23 0.00 -1.94 0.00 0.00 57.00 55.92 3i6k n GLN 43 Cb 0.21 -5.30 -0.11 0.00 0.11 0.00 0.00 30.24 25.15 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 -3.53 1.68 0.26 -1.09 0.52 -1.26 -5.04 118.95 110.49 3i6k s ARG 44 Ca 0.00 -1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 53.01 3i6k s ARG 44 Cb 0.00 -1.15 -0.09 0.00 0.52 0.00 0.00 34.95 34.22 3i6k s ARG 44 CO 0.00 -0.06 1.12 1.41 0.02 0.00 0.00 175.30 177.79 3i6k s MET 45 N -3.78 4.60 0.06 3.54 -2.45 -1.26 -4.70 119.30 115.31 3i6k s MET 45 Ca 0.33 1.82 0.08 0.00 -1.25 0.00 0.00 55.69 56.68 3i6k s MET 45 Cb 0.07 -3.20 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 3i6k s MET 45 CO 0.15 0.14 -0.22 -1.21 1.05 0.00 0.00 175.02 174.93 3i6k s GLU 46 N -1.19 1.42 0.03 4.11 2.02 -0.23 -4.93 118.70 119.93 3i6k s GLU 46 Ca 0.46 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 3i6k s GLU 46 Cb -0.32 -1.59 -0.05 0.00 0.10 0.00 0.00 34.13 32.27 3i6k s GLU 46 CO 0.40 0.40 1.19 -1.25 0.02 0.00 0.00 175.26 176.02 3i6k s PRO 47 N -1.35 4.42 -0.20 0.39 0.04 -1.26 -1.80 135.00 135.24 3i6k s PRO 47 Ca 0.08 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.97 3i6k s PRO 47 Cb -0.09 -3.40 0.41 0.00 0.04 0.00 0.00 34.50 31.45 3i6k s PRO 47 CO 0.02 -0.28 1.21 0.54 0.04 0.00 0.00 177.00 178.53 3i6k n ARG 48 N 4.20 1.56 -3.63 4.56 5.12 0.16 -4.93 116.66 123.69 3i6k n ARG 48 Ca 0.09 -3.23 -0.12 0.00 -1.93 0.00 0.00 57.85 52.66 3i6k n ARG 48 Cb 0.47 -1.61 -0.07 0.00 -1.16 0.00 0.00 32.46 30.09 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 -3.20 -1.82 0.30 7.54 0.00 -1.23 -4.42 121.76 118.93 3i6k s ALA 49 Ca 0.37 2.13 0.03 0.00 0.00 0.00 0.00 51.96 54.49 3i6k s ALA 49 Cb 0.36 -1.26 0.61 0.00 0.00 0.00 0.00 23.12 22.82 3i6k s ALA 49 CO -0.06 -0.34 1.85 -1.00 0.00 0.00 0.00 175.76 176.20 3i6k h PRO 50 N 5.48 0.91 0.00 0.00 0.13 -1.94 -2.70 132.00 133.87 3i6k h PRO 50 Ca -0.29 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3i6k h PRO 50 Cb 1.18 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 3i6k h PRO 50 CO 0.08 0.60 -0.11 0.11 -0.23 0.00 0.00 178.00 178.45 3i6k h TRP 51 N 0.94 0.00 0.00 1.56 5.08 -1.97 -2.54 115.95 119.02 3i6k h TRP 51 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3i6k h TRP 51 Cb 0.52 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.68 3i6k h TRP 51 CO -0.00 0.11 -0.41 0.97 -1.28 0.00 0.00 178.44 177.83 3i6k h ILE 52 N 0.00 0.00 -0.50 0.12 6.09 -1.84 -3.33 117.51 118.05 3i6k h ILE 52 Ca -0.00 -0.83 0.10 0.00 -1.37 0.00 0.00 64.86 62.76 3i6k h ILE 52 Cb 0.77 1.61 -0.03 0.00 0.47 0.00 0.00 36.82 39.64 3i6k h ILE 52 CO 0.01 0.00 0.34 -0.33 -3.07 0.00 0.00 178.15 175.11 3i6k h GLU 53 N 0.00 0.24 -0.13 2.19 5.08 -1.37 -1.82 114.58 118.76 3i6k h GLU 53 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i6k h GLU 53 Cb 0.92 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3i6k h GLU 53 CO 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 3i6k n GLN 54 N -4.45 0.98 -2.60 2.33 -0.00 -1.25 -4.77 117.38 107.61 3i6k n GLN 54 Ca 0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.68 3i6k n GLN 54 Cb 0.39 -1.07 -0.05 0.00 -0.00 0.00 0.00 30.24 29.52 3i6k n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3i6k s GLU 55 N -1.86 4.69 0.79 2.61 0.41 -0.69 -5.05 118.70 119.60 3i6k s GLU 55 Ca 0.00 1.64 -0.12 0.00 -0.41 0.00 0.00 54.97 56.09 3i6k s GLU 55 Cb 0.00 -3.16 0.07 0.00 -1.78 0.00 0.00 34.13 29.27 3i6k s GLU 55 CO 0.00 0.31 1.16 0.20 -0.49 0.00 0.00 175.26 176.44 3i6k s GLY 56 N -1.08 1.60 0.56 -1.39 0.00 -1.26 -4.86 107.32 100.89 3i6k s GLY 56 Ca 0.44 -0.65 0.27 0.00 0.00 0.00 0.00 44.72 44.79 3i6k s GLY 56 CO 0.36 -0.17 1.98 -0.56 0.00 0.00 0.00 173.10 174.70 3i6k h PRO 57 N -0.99 0.00 -0.30 2.90 0.13 -1.98 -0.27 132.00 131.49 3i6k h PRO 57 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i6k h PRO 57 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3i6k h PRO 57 CO 0.65 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.53 3i6k h GLU 58 N 0.00 0.41 0.39 0.86 5.08 -1.99 -1.07 114.58 118.26 3i6k h GLU 58 Ca 0.22 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3i6k h GLU 58 Cb 1.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3i6k h GLU 58 CO -0.00 0.33 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.23 3i6k h TYR 59 N 0.38 -0.48 -0.64 4.33 3.20 -1.40 -2.41 116.97 119.94 3i6k h TYR 59 Ca 0.11 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3i6k h TYR 59 Cb 0.03 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3i6k h TYR 59 CO -0.04 -0.25 0.17 -1.49 -1.64 0.00 0.00 178.16 174.91 3i6k h TRP 60 N -0.61 1.07 -0.58 -3.82 4.06 -1.46 -0.35 115.95 114.26 3i6k h TRP 60 Ca -0.05 -0.12 0.02 0.00 2.06 0.00 0.00 58.89 60.79 3i6k h TRP 60 Cb 0.45 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 3i6k h TRP 60 CO -0.03 0.88 0.37 -0.44 -3.56 0.00 0.00 178.44 175.67 3i6k h ASP 61 N 0.94 0.62 -0.15 -3.49 5.19 -1.24 -0.61 116.42 117.69 3i6k h ASP 61 Ca 0.20 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3i6k h ASP 61 Cb 0.35 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3i6k h ASP 61 CO 0.00 0.44 0.05 1.23 -3.12 0.00 0.00 179.24 177.84 3i6k h GLY 62 N 0.74 0.24 1.14 2.75 0.00 -0.89 -2.00 103.07 105.05 3i6k h GLY 62 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3i6k h GLY 62 CO -0.08 0.13 0.40 0.83 0.00 0.00 0.00 176.54 177.82 3i6k h GLU 63 N 0.07 1.11 -0.55 4.80 4.39 -0.96 -2.14 114.58 121.31 3i6k h GLU 63 Ca 0.05 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3i6k h GLU 63 Cb 0.19 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3i6k h GLU 63 CO -0.00 0.84 0.31 1.15 -1.16 0.00 0.00 179.01 180.15 3i6k h THR 64 N 1.11 1.18 -0.36 1.13 2.02 -0.93 -1.10 112.91 115.95 3i6k h THR 64 Ca 0.27 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3i6k h THR 64 Cb 0.08 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3i6k h THR 64 CO -0.04 0.19 0.21 -0.09 0.37 0.00 0.00 175.52 176.16 3i6k h ARG 65 N 0.74 0.49 0.05 6.66 2.43 -1.00 -1.74 114.38 122.01 3i6k h ARG 65 Ca 0.19 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3i6k h ARG 65 Cb 0.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3i6k h ARG 65 CO -0.03 0.39 -0.03 0.87 -1.51 0.00 0.00 179.97 179.66 3i6k h LYS 66 N 0.46 -0.07 -0.12 0.20 1.57 -1.20 -1.71 116.57 115.71 3i6k h LYS 66 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3i6k h LYS 66 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3i6k h LYS 66 CO -0.02 0.11 0.02 -0.24 -0.57 0.00 0.00 179.45 178.74 3i6k h VAL 67 N -0.24 1.07 -0.40 0.50 3.04 -1.14 0.32 116.25 119.40 3i6k h VAL 67 Ca -0.01 -0.25 -0.08 0.00 -1.01 0.00 0.00 66.70 65.36 3i6k h VAL 67 Cb 0.21 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 3i6k h VAL 67 CO 0.01 0.08 -0.06 0.11 -1.01 0.00 0.00 177.57 176.70 3i6k h LYS 68 N 0.16 0.75 -0.38 4.17 1.57 -1.10 -0.03 116.57 121.71 3i6k h LYS 68 Ca 0.04 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3i6k h LYS 68 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3i6k h LYS 68 CO -0.00 0.87 0.18 0.00 -0.57 0.00 0.00 179.45 179.93 3i6k h ALA 69 N 0.86 0.49 -0.16 3.86 0.00 -0.11 -1.15 119.26 123.05 3i6k h ALA 69 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i6k h ALA 69 Cb 0.57 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3i6k h ALA 69 CO 0.03 0.06 -0.26 0.45 0.00 0.00 0.00 179.25 179.53 3i6k h HIS 70 N 0.47 -0.71 -0.47 0.00 3.86 -0.32 -1.84 115.15 116.14 3i6k h HIS 70 Ca 0.13 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 3i6k h HIS 70 Cb 0.13 0.34 -0.10 0.00 1.06 0.00 0.00 27.41 28.84 3i6k h HIS 70 CO -0.01 -0.34 -0.22 1.03 0.86 0.00 0.00 177.93 179.24 3i6k h SER 71 N -0.32 -0.77 -0.78 2.45 0.87 -0.66 -1.93 113.55 112.41 3i6k h SER 71 Ca 0.11 0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.89 3i6k h SER 71 Cb 0.48 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 3i6k h SER 71 CO -0.34 -0.25 0.48 1.56 -0.53 0.00 0.00 176.83 177.76 3i6k h GLN 72 N -0.12 0.89 -0.48 2.24 1.08 -0.72 -0.06 115.11 117.94 3i6k h GLN 72 Ca 0.22 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3i6k h GLN 72 Cb 0.47 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 3i6k h GLN 72 CO -0.55 0.59 0.31 1.15 -0.95 0.00 0.00 178.83 179.38 3i6k h THR 73 N 0.91 1.09 -0.08 -0.54 2.02 -0.63 -1.94 112.91 113.75 3i6k h THR 73 Ca 0.33 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 3i6k h THR 73 Cb 0.10 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3i6k h THR 73 CO -0.15 0.11 -0.39 0.45 0.37 0.00 0.00 175.52 175.92 3i6k h HIS 74 N 0.62 0.19 -0.61 3.16 3.86 -0.76 -0.98 115.15 120.63 3i6k h HIS 74 Ca 0.18 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3i6k h HIS 74 Cb -0.04 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3i6k h HIS 74 CO -0.05 0.53 0.38 -0.09 0.86 0.00 0.00 177.93 179.56 3i6k h ARG 75 N 0.14 0.83 -0.31 2.45 2.43 -0.45 -1.52 114.38 117.94 3i6k h ARG 75 Ca 0.01 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3i6k h ARG 75 Cb 0.75 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3i6k h ARG 75 CO 0.06 0.58 -0.04 0.28 -1.51 0.00 0.00 179.97 179.33 3i6k h VAL 76 N 0.83 1.27 -0.99 0.20 2.07 -1.05 -3.22 116.25 115.37 3i6k h VAL 76 Ca 0.22 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3i6k h VAL 76 Cb -0.04 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3i6k h VAL 76 CO -0.04 0.34 0.64 0.44 0.02 0.00 0.00 177.57 178.96 3i6k h ASP 77 N 0.35 1.01 -0.69 0.57 3.32 -0.81 -2.08 116.42 118.10 3i6k h ASP 77 Ca 0.08 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.27 3i6k h ASP 77 Cb 0.51 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.77 3i6k h ASP 77 CO 0.02 0.64 0.25 -0.07 -1.72 0.00 0.00 179.24 178.36 3i6k h LEU 78 N 1.15 0.21 -0.17 1.55 3.38 -1.29 0.18 115.31 120.32 3i6k h LEU 78 Ca 0.43 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.37 3i6k h LEU 78 Cb 0.18 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i6k h LEU 78 CO -0.18 0.10 -0.41 1.23 0.09 0.00 0.00 178.44 179.27 3i6k h GLY 79 N 0.40 0.64 0.60 0.83 0.00 -1.51 -2.67 103.07 101.35 3i6k h GLY 79 Ca 0.36 -0.79 0.05 0.00 0.00 0.00 0.00 47.33 46.96 3i6k h GLY 79 CO -0.38 0.70 0.12 -0.84 0.00 0.00 0.00 176.54 176.14 3i6k h THR 80 N 0.23 0.85 -0.86 4.70 2.02 -0.75 -2.09 112.91 117.01 3i6k h THR 80 Ca -0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3i6k h THR 80 Cb 1.02 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3i6k h THR 80 CO 0.09 0.05 0.44 -0.07 0.37 0.00 0.00 175.52 176.40 3i6k h LEU 81 N 0.27 1.11 -0.76 2.58 3.38 -0.70 -1.09 115.31 120.10 3i6k h LEU 81 Ca 0.19 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3i6k h LEU 81 Cb 0.19 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 3i6k h LEU 81 CO -0.21 0.91 0.33 0.03 0.09 0.00 0.00 178.44 179.59 3i6k h ARG 82 N 1.22 0.48 -0.31 1.13 -0.00 -1.05 -2.30 114.38 113.54 3i6k h ARG 82 Ca 0.30 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.98 59.69 3i6k h ARG 82 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 29.93 3i6k h ARG 82 CO -0.04 0.32 -0.04 0.78 0.00 0.00 0.00 179.97 180.98 3i6k h GLY 83 N 0.49 0.63 0.91 0.04 0.00 -0.60 0.65 103.07 105.18 3i6k h GLY 83 Ca 0.41 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 47.30 3i6k h GLY 83 CO -0.38 0.45 0.59 -0.97 0.00 0.00 0.00 176.54 176.23 3i6k h TYR 84 N 0.36 1.06 -0.25 5.60 0.05 -0.84 -2.65 116.97 120.30 3i6k h TYR 84 Ca 0.08 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3i6k h TYR 84 Cb 0.51 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3i6k h TYR 84 CO 0.04 0.57 0.00 0.66 -1.05 0.00 0.00 178.16 178.39 3i6k n TYR 85 N -4.47 0.31 -3.37 4.88 4.01 -0.91 -4.98 117.16 112.64 3i6k n TYR 85 Ca 0.13 -0.17 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 3i6k n TYR 85 Cb 0.17 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.31 -6.40 -4.42 7.72 3.02 -0.18 -5.01 115.26 111.29 3i6k n ASN 86 Ca 0.16 -0.70 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 3i6k n ASN 86 Cb 0.56 -4.55 -0.14 0.00 -0.61 0.00 0.00 39.78 35.04 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 -4.64 2.51 0.61 3.52 -0.21 0.04 -5.03 119.66 116.46 3i6k s GLN 87 Ca 0.37 -0.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.82 3i6k s GLN 87 Cb -0.08 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.59 3i6k s GLN 87 CO 0.78 0.55 1.09 -1.54 -2.12 0.00 0.00 175.29 174.06 3i6k s SER 88 N -0.56 5.50 -0.11 5.90 1.04 -1.26 -4.72 113.70 119.49 3i6k s SER 88 Ca 0.08 1.97 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 3i6k s SER 88 Cb -0.11 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.46 3i6k s SER 88 CO 0.01 -1.36 2.38 -1.84 0.98 0.00 0.00 173.24 173.40 3i6k n GLU 89 N -2.00 1.50 -0.03 4.02 0.28 -1.26 -3.46 120.64 119.69 3i6k n GLU 89 Ca 0.10 -0.76 -0.03 0.00 -0.16 0.00 0.00 57.16 56.31 3i6k n GLU 89 Cb 0.52 -1.43 -0.04 0.00 1.43 0.00 0.00 31.44 31.92 3i6k n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i6k n ALA 90 N 1.36 1.88 -1.79 -1.84 0.00 -1.26 -4.86 120.51 113.99 3i6k n ALA 90 Ca 0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 3i6k n ALA 90 Cb 0.60 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.20 3i6k n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i6k s GLY 91 N -3.80 2.34 0.08 0.00 0.00 -1.22 -4.65 107.32 100.06 3i6k s GLY 91 Ca -0.04 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 44.92 3i6k s GLY 91 CO 0.19 0.74 0.60 -0.45 0.00 0.00 0.00 173.10 174.18 3i6k s SER 92 N -2.35 7.10 0.04 1.64 0.15 -1.26 -4.71 113.70 114.31 3i6k s SER 92 Ca 0.64 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.59 3i6k s SER 92 Cb -0.13 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3i6k s SER 92 CO 0.22 0.24 -0.04 -1.00 1.20 0.00 0.00 173.24 173.87 3i6k s HIS 93 N -0.99 0.49 -0.03 3.44 3.76 -1.24 -5.01 115.29 115.71 3i6k s HIS 93 Ca 0.30 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 3i6k s HIS 93 Cb -0.20 -0.33 -0.00 0.00 1.11 0.00 0.00 32.58 33.15 3i6k s HIS 93 CO 0.20 -0.24 -0.15 0.99 -0.85 0.00 0.00 174.74 174.70 3i6k s THR 94 N -2.59 1.20 -0.04 1.30 2.01 -1.26 -1.60 115.64 114.65 3i6k s THR 94 Ca -0.03 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.41 3i6k s THR 94 Cb -0.02 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3i6k s THR 94 CO -0.04 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.34 3i6k s VAL 95 N -0.04 2.55 -0.05 3.82 1.01 0.51 -0.06 120.40 128.13 3i6k s VAL 95 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3i6k s VAL 95 Cb -0.09 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3i6k s VAL 95 CO 0.01 0.58 -0.13 -1.10 0.00 0.00 0.00 175.10 174.46 3i6k s GLN 96 N -0.59 1.56 -0.00 2.72 -0.21 -0.08 -0.89 119.66 122.17 3i6k s GLN 96 Ca 0.09 -0.46 0.06 0.00 0.02 0.00 0.00 55.36 55.07 3i6k s GLN 96 Cb -0.11 -1.34 -0.02 0.00 1.00 0.00 0.00 33.01 32.54 3i6k s GLN 96 CO 0.00 0.12 -0.20 0.50 -2.12 0.00 0.00 175.29 173.59 3i6k s ARG 97 N 0.34 1.58 -0.06 2.91 3.52 -0.44 -0.30 118.95 126.50 3i6k s ARG 97 Ca -0.08 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 3i6k s ARG 97 Cb -0.13 -1.56 0.04 0.00 -1.56 0.00 0.00 34.95 31.74 3i6k s ARG 97 CO 0.02 0.42 0.11 1.41 -0.81 0.00 0.00 175.30 176.45 3i6k s MET 98 N -0.63 -0.03 0.06 5.12 -2.45 0.20 -0.18 119.30 121.40 3i6k s MET 98 Ca 0.08 0.46 -0.02 0.00 -1.25 0.00 0.00 55.69 54.95 3i6k s MET 98 Cb -0.08 -0.39 -0.03 0.00 1.25 0.00 0.00 34.83 35.57 3i6k s MET 98 CO -0.00 -0.32 0.01 1.52 1.05 0.00 0.00 175.02 177.28 3i6k s TYR 99 N 2.20 0.46 -3.94 4.11 -0.85 -0.99 -0.60 117.35 117.74 3i6k s TYR 99 Ca 0.04 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.59 3i6k s TYR 99 Cb -0.12 -0.34 0.00 0.00 0.38 0.00 0.00 41.96 41.88 3i6k s TYR 99 CO -0.04 -0.41 0.00 0.41 -1.52 0.00 0.00 175.55 173.99 3i6k n GLY 100 N 0.08 -1.48 3.29 5.49 0.00 -1.13 -0.43 105.19 111.01 3i6k n GLY 100 Ca -0.14 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.04 2.43 0.01 0.00 1.01 0.15 -2.16 116.67 115.06 3i6k s ASP 102 Ca 0.25 -0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.12 3i6k s ASP 102 Cb 0.05 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 3i6k s ASP 102 CO 0.05 0.20 -0.20 0.68 0.21 0.00 0.00 175.17 176.10 3i6k s VAL 103 N -0.66 1.60 0.75 -1.27 -7.23 -0.13 0.32 120.40 113.77 3i6k s VAL 103 Ca 0.08 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 3i6k s VAL 103 Cb -0.08 -1.36 0.18 0.00 0.56 0.00 0.00 36.38 35.68 3i6k s VAL 103 CO 0.01 0.32 0.72 0.61 -0.31 0.00 0.00 175.10 176.45 3i6k n GLY 104 N 2.23 -2.43 0.31 2.32 0.00 -0.53 -1.96 105.19 105.13 3i6k n GLY 104 Ca -0.16 -1.51 0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.93 0.00 -0.08 1.61 0.02 -1.91 0.77 113.55 112.02 3i6k h SER 105 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3i6k h SER 105 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3i6k h SER 105 CO 0.17 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.96 3i6k n ASP 106 N -3.04 1.30 -0.90 3.07 5.75 -1.26 -4.58 116.55 116.89 3i6k n ASP 106 Ca -0.02 -1.55 -0.10 0.00 -0.01 0.00 0.00 54.79 53.11 3i6k n ASP 106 Cb 0.13 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.05 -0.15 -4.10 2.11 7.02 0.26 -5.02 117.44 117.61 3i6k n TRP 107 Ca 0.17 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.36 3i6k n TRP 107 Cb 0.29 -2.11 -0.07 0.00 -2.42 0.00 0.00 31.31 27.00 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 -3.38 2.73 0.06 -0.99 0.52 -1.26 -4.83 118.95 111.80 3i6k s ARG 108 Ca 0.00 -0.82 -0.36 0.00 -0.52 0.00 0.00 55.73 54.03 3i6k s ARG 108 Cb 0.00 -2.61 -0.15 0.00 0.52 0.00 0.00 34.95 32.71 3i6k s ARG 108 CO 0.00 0.53 1.51 0.34 0.02 0.00 0.00 175.30 177.70 3i6k n PHE 109 N 0.26 1.90 -0.08 -0.53 -0.00 -1.26 -1.45 117.46 116.30 3i6k n PHE 109 Ca -0.09 0.45 -0.13 0.00 -0.00 0.00 0.00 57.45 57.67 3i6k n PHE 109 Cb 0.53 -2.45 -0.07 0.00 -0.00 0.00 0.00 39.48 37.49 3i6k n PHE 109 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3i6k n LEU 110 N 3.45 2.38 -3.61 -2.13 4.77 0.15 -4.79 117.00 117.22 3i6k n LEU 110 Ca 0.19 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 3i6k n LEU 110 Cb 0.23 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3i6k n LEU 110 CO 0.65 0.62 0.92 -0.60 -1.33 0.00 0.00 177.39 177.65 3i6k s ARG 111 N -2.31 0.38 0.14 3.23 3.52 -1.21 -4.98 118.95 117.71 3i6k s ARG 111 Ca -0.22 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 3i6k s ARG 111 Cb 0.07 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3i6k s ARG 111 CO 0.34 -0.10 -0.09 0.20 -0.81 0.00 0.00 175.30 174.84 3i6k s GLY 112 N -0.79 1.00 0.07 8.12 0.00 -1.26 0.30 107.32 114.76 3i6k s GLY 112 Ca 0.03 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 3i6k s GLY 112 CO -0.04 -1.55 0.28 -2.52 0.00 0.00 0.00 173.10 169.26 3i6k s TYR 113 N -3.42 -0.03 -0.37 1.90 -0.85 -0.90 -4.82 117.35 108.85 3i6k s TYR 113 Ca 0.16 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 3i6k s TYR 113 Cb 0.03 0.07 0.16 0.00 0.38 0.00 0.00 41.96 42.60 3i6k s TYR 113 CO -0.01 -0.55 0.38 -1.58 -1.52 0.00 0.00 175.55 172.28 3i6k s HIS 114 N -3.20 -0.33 -0.12 -3.49 2.46 -1.25 -2.84 115.29 106.51 3i6k s HIS 114 Ca -0.00 -0.80 -0.05 0.00 0.47 0.00 0.00 55.06 54.67 3i6k s HIS 114 Cb 0.01 -0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 3i6k s HIS 114 CO -0.07 -0.98 0.06 -0.65 -2.47 0.00 0.00 174.74 170.63 3i6k s GLN 115 N 1.43 3.36 -0.03 2.88 -0.21 0.23 -1.66 119.66 125.66 3i6k s GLN 115 Ca 0.17 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.27 3i6k s GLN 115 Cb -0.15 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3i6k s GLN 115 CO -0.03 0.62 -0.09 -0.47 -2.12 0.00 0.00 175.29 173.20 3i6k s TYR 116 N -0.63 0.98 0.04 0.91 5.04 -0.35 -0.63 117.35 122.71 3i6k s TYR 116 Ca 0.11 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.51 3i6k s TYR 116 Cb -0.12 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 3i6k s TYR 116 CO 0.02 -0.10 -0.06 0.00 -1.34 0.00 0.00 175.55 174.07 3i6k s ALA 117 N 0.17 0.45 -0.11 3.97 0.00 0.59 -1.27 121.76 125.56 3i6k s ALA 117 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3i6k s ALA 117 Cb -0.08 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3i6k s ALA 117 CO 0.00 -0.10 -0.07 -0.47 0.00 0.00 0.00 175.76 175.13 3i6k s TYR 118 N -1.66 1.39 -1.38 0.00 5.04 -0.53 -0.90 117.35 119.31 3i6k s TYR 118 Ca -0.10 -0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 3i6k s TYR 118 Cb -0.08 -1.18 0.03 0.00 0.35 0.00 0.00 41.96 41.08 3i6k s TYR 118 CO -0.01 -0.48 0.80 -0.25 -1.34 0.00 0.00 175.55 174.27 3i6k n ASP 119 N 4.91 -2.43 0.00 4.32 8.00 0.91 -2.54 116.55 129.72 3i6k n ASP 119 Ca -0.12 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3i6k n ASP 119 Cb 0.50 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.62 1.67 3.64 0.44 0.00 -1.26 -5.00 105.19 103.06 3i6k n GLY 120 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.04 2.50 0.29 1.61 1.02 -1.05 -5.08 119.74 118.98 3i6k s LYS 121 Ca 0.00 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 3i6k s LYS 121 Cb 0.00 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.67 3i6k s LYS 121 CO 0.00 0.56 1.05 -0.25 -0.92 0.00 0.00 175.35 175.79 3i6k n ASP 122 N 0.96 1.45 0.00 2.83 8.00 -1.26 -1.45 116.55 127.08 3i6k n ASP 122 Ca -0.13 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.55 3i6k n ASP 122 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 0.33 0.00 -3.88 1.24 9.36 -0.40 -4.69 117.16 119.12 3i6k n TYR 123 Ca 0.09 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.20 3i6k n TYR 123 Cb 0.32 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.96 0.07 0.02 2.97 2.07 -1.05 -0.28 121.20 124.04 3i6k s ILE 124 Ca 0.00 -0.59 -0.09 0.00 -1.41 0.00 0.00 60.65 58.56 3i6k s ILE 124 Cb 0.00 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.24 3i6k s ILE 124 CO 0.00 -0.33 0.18 0.00 -1.91 0.00 0.00 174.94 172.88 3i6k s ALA 125 N -1.11 -0.36 -0.18 1.50 0.00 -0.89 -1.21 121.76 119.52 3i6k s ALA 125 Ca -0.12 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 3i6k s ALA 125 Cb -0.07 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3i6k s ALA 125 CO 0.01 -0.31 0.77 -1.17 0.00 0.00 0.00 175.76 175.06 3i6k s LEU 126 N -1.83 4.17 0.87 0.00 2.96 -0.66 -1.00 118.68 123.18 3i6k s LEU 126 Ca -0.08 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 54.79 3i6k s LEU 126 Cb -0.03 -3.13 0.12 0.00 0.50 0.00 0.00 46.19 43.65 3i6k s LEU 126 CO -0.02 -0.36 1.13 -0.54 -1.32 0.00 0.00 176.35 175.25 3i6k s LYS 127 N 2.06 1.37 0.32 1.98 1.02 0.32 -4.52 119.74 122.29 3i6k s LYS 127 Ca 0.35 1.44 0.07 0.00 0.02 0.00 0.00 55.97 57.85 3i6k s LYS 127 Cb -0.16 -1.78 0.75 0.00 -0.52 0.00 0.00 37.83 36.12 3i6k s LYS 127 CO 0.12 -2.36 1.81 0.93 -0.92 0.00 0.00 175.35 174.94 3i6k h GLU 128 N -1.67 0.75 0.00 1.68 5.08 -1.88 0.22 114.58 118.77 3i6k h GLU 128 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3i6k h GLU 128 Cb 1.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3i6k h GLU 128 CO 0.44 0.49 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 3i6k n ASP 129 N -4.67 0.00 -2.68 1.42 5.75 -1.26 -4.80 116.55 110.32 3i6k n ASP 129 Ca 0.21 0.40 -0.19 0.00 -0.01 0.00 0.00 54.79 55.20 3i6k n ASP 129 Cb 0.52 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3i6k n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i6k n LEU 130 N -1.42 -1.83 0.00 -2.12 4.77 0.78 -4.80 117.00 112.38 3i6k n LEU 130 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3i6k n LEU 130 Cb 0.05 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 3i6k n LEU 130 CO 0.04 -0.04 -0.14 0.54 -1.33 0.00 0.00 177.39 176.46 3i6k n ARG 131 N -3.28 3.40 -4.18 3.23 1.74 -1.26 -4.46 116.66 111.83 3i6k n ARG 131 Ca -0.16 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.81 3i6k n ARG 131 Cb 0.63 -0.56 -0.10 0.00 -1.02 0.00 0.00 32.46 31.41 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 -0.68 0.27 0.20 0.55 1.04 -1.26 -4.92 113.70 108.90 3i6k s SER 132 Ca 0.00 -1.31 0.11 0.00 0.48 0.00 0.00 55.95 55.22 3i6k s SER 132 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3i6k s SER 132 CO 0.00 -0.79 -0.20 0.26 0.98 0.00 0.00 173.24 173.49 3i6k s TRP 133 N -4.09 2.38 -0.25 5.02 0.52 -1.26 -0.52 118.94 120.74 3i6k s TRP 133 Ca 0.33 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.15 3i6k s TRP 133 Cb 0.07 -1.16 0.05 0.00 -1.15 0.00 0.00 33.47 31.28 3i6k s TRP 133 CO 0.08 0.52 -0.12 0.99 0.02 0.00 0.00 176.95 178.44 3i6k s THR 134 N -1.75 2.20 -0.16 2.01 2.01 -0.17 -4.87 115.64 114.92 3i6k s THR 134 Ca 0.22 -1.48 -0.18 0.00 0.31 0.00 0.00 61.69 60.56 3i6k s THR 134 Cb -0.08 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3i6k s THR 134 CO 0.11 0.08 0.49 0.00 -0.69 0.00 0.00 174.62 174.61 3i6k s ALA 135 N 1.15 3.51 0.21 7.40 0.00 -1.26 -2.09 121.76 130.68 3i6k s ALA 135 Ca -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 3i6k s ALA 135 Cb -0.19 -2.73 0.18 0.00 0.00 0.00 0.00 23.12 20.39 3i6k s ALA 135 CO -0.06 -0.23 1.62 0.00 0.00 0.00 0.00 175.76 177.09 3i6k h ALA 136 N 7.11 0.86 -2.91 0.00 0.00 -0.92 -3.47 119.26 119.93 3i6k h ALA 136 Ca -0.37 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i6k h ALA 136 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i6k h ALA 136 CO 0.75 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.23 3i6k n ASP 137 N -4.10 0.00 0.04 0.00 5.68 -1.26 -5.04 116.55 111.86 3i6k n ASP 137 Ca -0.00 -0.66 -0.06 0.00 -0.50 0.00 0.00 54.79 53.56 3i6k n ASP 137 Cb 0.45 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.55 3i6k n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3i6k h MET 138 N 0.00 0.43 -0.13 0.11 2.86 -1.99 -2.94 114.93 113.26 3i6k h MET 138 Ca 0.00 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3i6k h MET 138 Cb 0.00 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3i6k h MET 138 CO 0.00 0.82 0.00 0.00 1.06 0.00 0.00 176.91 178.79 3i6k h ALA 139 N 1.14 0.12 0.00 6.32 0.00 -1.97 -1.63 119.26 123.23 3i6k h ALA 139 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6k h ALA 139 Cb 0.98 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i6k h ALA 139 CO 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3i6k n ALA 140 N -2.25 1.40 -0.10 0.00 0.00 -1.18 -1.79 120.51 116.59 3i6k n ALA 140 Ca -0.04 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3i6k n ALA 140 Cb 0.08 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 3i6k n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i6k h GLN 141 N 0.00 0.46 -0.87 0.00 1.08 -1.12 0.17 115.11 114.83 3i6k h GLN 141 Ca 0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3i6k h GLN 141 Cb 0.21 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3i6k h GLN 141 CO 0.00 0.42 0.49 1.15 -0.95 0.00 0.00 178.83 179.94 3i6k h THR 142 N 0.39 1.25 -0.50 -0.54 2.02 -1.38 -0.01 112.91 114.14 3i6k h THR 142 Ca 0.11 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 3i6k h THR 142 Cb 0.11 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3i6k h THR 142 CO -0.01 0.28 -0.04 0.74 0.37 0.00 0.00 175.52 176.86 3i6k h THR 143 N 1.22 1.27 -0.77 3.16 2.02 -1.52 -1.88 112.91 116.40 3i6k h THR 143 Ca 0.31 -1.14 0.07 0.00 0.77 0.00 0.00 66.41 66.42 3i6k h THR 143 Cb 0.01 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 3i6k h THR 143 CO -0.05 0.40 0.45 0.50 0.37 0.00 0.00 175.52 177.18 3i6k h LYS 144 N 0.76 0.78 0.79 6.66 3.64 0.10 -0.22 116.57 129.08 3i6k h LYS 144 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3i6k h LYS 144 Cb 0.57 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3i6k h LYS 144 CO 0.03 0.52 -0.38 0.45 -2.27 0.00 0.00 179.45 177.80 3i6k h HIS 145 N 0.81 -0.98 -0.66 1.91 3.86 -0.79 -1.40 115.15 117.91 3i6k h HIS 145 Ca 0.35 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 3i6k h HIS 145 Cb 0.22 0.32 -0.10 0.00 1.06 0.00 0.00 27.41 28.91 3i6k h HIS 145 CO -0.06 -0.61 -0.57 0.87 0.86 0.00 0.00 177.93 178.42 3i6k h LYS 146 N -1.07 -0.22 -0.43 2.45 1.57 -0.95 -1.26 116.57 116.65 3i6k h LYS 146 Ca -0.11 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3i6k h LYS 146 Cb 0.81 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3i6k h LYS 146 CO 0.18 -0.15 0.14 -1.49 -0.57 0.00 0.00 179.45 177.56 3i6k h TRP 147 N -0.23 0.63 -0.01 -1.35 4.06 -1.00 -0.65 115.95 117.40 3i6k h TRP 147 Ca 0.11 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 3i6k h TRP 147 Cb 0.52 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3i6k h TRP 147 CO -0.85 0.52 0.00 0.93 -3.56 0.00 0.00 178.44 175.47 3i6k h GLU 148 N 0.62 0.01 0.00 0.49 5.08 -0.65 -1.32 114.58 118.81 3i6k h GLU 148 Ca 0.15 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3i6k h GLU 148 Cb 0.18 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i6k h GLU 148 CO -0.01 0.11 -0.05 0.00 -1.00 0.00 0.00 179.01 178.05 3i6k h ALA 149 N 0.90 1.58 -0.02 3.43 0.00 -0.42 -1.81 119.26 122.91 3i6k h ALA 149 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i6k h ALA 149 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i6k h ALA 149 CO -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 3i6k n ALA 150 N -2.38 2.54 -3.78 0.00 0.00 -0.33 -4.97 120.51 111.60 3i6k n ALA 150 Ca -0.03 -0.60 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 3i6k n ALA 150 Cb 0.14 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 0.88 -1.83 -0.08 0.00 -0.00 -0.58 -4.89 115.22 108.73 3i6k n HIS 151 Ca 0.15 0.79 -0.06 0.00 -0.00 0.00 0.00 57.72 58.61 3i6k n HIS 151 Cb 0.51 -4.14 0.13 0.00 -0.00 0.00 0.00 29.99 26.50 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 -1.85 1.26 0.31 1.59 2.07 -1.60 -3.28 116.25 114.75 3i6k h VAL 152 Ca -0.62 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 3i6k h VAL 152 Cb 1.36 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3i6k h VAL 152 CO 0.58 0.40 -0.42 0.00 0.02 0.00 0.00 177.57 178.15 3i6k h ALA 153 N 1.18 -1.03 -0.66 1.67 0.00 -1.89 -1.04 119.26 117.48 3i6k h ALA 153 Ca 0.11 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3i6k h ALA 153 Cb 0.61 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3i6k h ALA 153 CO 0.04 -1.08 0.45 1.05 0.00 0.00 0.00 179.25 179.70 3i6k h GLU 154 N -0.76 0.37 0.05 0.00 9.09 -1.78 0.23 114.58 121.77 3i6k h GLU 154 Ca -0.04 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.35 3i6k h GLU 154 Cb 0.69 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3i6k h GLU 154 CO -0.11 0.24 -0.02 0.37 0.05 0.00 0.00 179.01 179.54 3i6k h GLN 155 N 0.38 -0.06 -0.38 1.06 5.75 -1.45 -1.89 115.11 118.52 3i6k h GLN 155 Ca 0.32 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.76 3i6k h GLN 155 Cb 0.71 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 3i6k h GLN 155 CO -0.09 0.03 0.01 -0.07 -2.65 0.00 0.00 178.83 176.07 3i6k h LEU 156 N -0.14 0.65 -1.10 -2.39 3.38 0.24 -2.92 115.31 113.03 3i6k h LEU 156 Ca -0.01 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.76 3i6k h LEU 156 Cb 0.12 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3i6k h LEU 156 CO 0.01 0.79 0.61 -0.09 0.09 0.00 0.00 178.44 179.85 3i6k h ARG 157 N 0.49 0.96 -0.08 1.13 2.43 -0.57 0.32 114.38 119.05 3i6k h ARG 157 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3i6k h ARG 157 Cb 0.45 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3i6k h ARG 157 CO 0.02 0.63 0.05 0.00 -1.51 0.00 0.00 179.97 179.16 3i6k h ALA 158 N 1.53 0.10 0.18 2.80 0.00 -1.19 -0.18 119.26 122.49 3i6k h ALA 158 Ca 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3i6k h ALA 158 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i6k h ALA 158 CO -0.20 -0.39 -0.09 -0.92 0.00 0.00 0.00 179.25 177.65 3i6k h TYR 159 N 0.09 -0.22 -0.72 0.00 3.20 -1.03 -2.11 116.97 116.17 3i6k h TYR 159 Ca 0.03 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3i6k h TYR 159 Cb 0.01 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3i6k h TYR 159 CO -0.06 -0.13 0.20 -0.07 -1.64 0.00 0.00 178.16 176.46 3i6k h LEU 160 N -0.26 1.08 0.00 2.82 3.38 -0.28 0.11 115.31 122.16 3i6k h LEU 160 Ca -0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3i6k h LEU 160 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i6k h LEU 160 CO 0.04 1.01 -0.46 -0.33 0.09 0.00 0.00 178.44 178.79 3i6k h GLU 161 N 1.09 0.00 0.00 1.13 5.08 -1.06 -3.36 114.58 117.46 3i6k h GLU 161 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3i6k h GLU 161 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3i6k h GLU 161 CO -0.00 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 3i6k n GLY 162 N 1.21 0.60 0.31 -3.84 0.00 -0.80 -4.63 105.19 98.05 3i6k n GLY 162 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.17 -0.47 2.61 2.02 -1.63 0.39 112.91 115.99 3i6k h THR 163 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3i6k h THR 163 Cb 0.00 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 3i6k h THR 163 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 3i6k h VAL 165 N 0.15 1.31 -0.71 0.00 2.07 -0.53 -1.79 116.25 116.75 3i6k h VAL 165 Ca 0.24 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.64 3i6k h VAL 165 Cb 0.34 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3i6k h VAL 165 CO -0.37 0.35 0.43 -0.33 0.02 0.00 0.00 177.57 177.67 3i6k h GLU 166 N 0.11 0.80 -0.03 1.57 5.08 -0.37 -2.06 114.58 119.68 3i6k h GLU 166 Ca 0.04 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3i6k h GLU 166 Cb 0.59 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3i6k h GLU 166 CO 0.03 0.53 -0.72 -1.49 -1.00 0.00 0.00 179.01 176.35 3i6k h TRP 167 N 0.82 0.24 -0.65 4.33 4.06 -1.02 -1.38 115.95 122.35 3i6k h TRP 167 Ca 0.30 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 61.17 3i6k h TRP 167 Cb 0.09 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3i6k h TRP 167 CO -0.05 0.83 0.39 1.25 -3.56 0.00 0.00 178.44 177.31 3i6k h LEU 168 N 0.12 0.64 -0.24 -4.49 5.85 -0.96 0.49 115.31 116.71 3i6k h LEU 168 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3i6k h LEU 168 Cb 1.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3i6k h LEU 168 CO 0.11 0.44 0.05 0.03 -0.34 0.00 0.00 178.44 178.73 3i6k h ARG 169 N 0.77 0.39 -0.43 1.25 3.08 -1.11 -1.14 114.38 117.20 3i6k h ARG 169 Ca 0.26 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.26 3i6k h ARG 169 Cb 0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3i6k h ARG 169 CO -0.11 0.51 0.18 -0.09 -1.07 0.00 0.00 179.97 179.39 3i6k h ARG 170 N 0.21 0.35 -0.98 0.04 2.43 -0.95 -1.30 114.38 114.19 3i6k h ARG 170 Ca 0.07 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3i6k h ARG 170 Cb 0.30 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3i6k h ARG 170 CO 0.00 0.23 0.64 1.88 -1.51 0.00 0.00 179.97 181.22 3i6k h TYR 171 N 0.36 1.20 -0.64 2.20 0.05 -0.75 -1.41 116.97 117.99 3i6k h TYR 171 Ca 0.19 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3i6k h TYR 171 Cb 0.15 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 3i6k h TYR 171 CO -0.13 0.70 0.42 -0.07 -1.05 0.00 0.00 178.16 178.03 3i6k h LEU 172 N 1.25 0.74 0.15 3.88 3.38 -0.04 0.91 115.31 125.58 3i6k h LEU 172 Ca 0.39 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.14 3i6k h LEU 172 Cb -0.01 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i6k h LEU 172 CO -0.12 0.54 -0.84 1.05 0.09 0.00 0.00 178.44 179.17 3i6k h GLU 173 N 0.87 0.31 -0.74 1.13 9.09 -1.12 -2.75 114.58 121.36 3i6k h GLU 173 Ca 0.23 -0.53 0.13 0.00 0.05 0.00 0.00 59.36 59.25 3i6k h GLU 173 Cb -0.09 0.20 -0.05 0.00 -1.65 0.00 0.00 28.75 27.16 3i6k h GLU 173 CO -0.05 1.25 0.49 -0.91 0.05 0.00 0.00 179.01 179.85 3i6k h ASN 174 N -0.36 0.45 -0.82 3.06 -0.26 -0.99 -1.45 115.58 115.21 3i6k h ASN 174 Ca -0.15 0.02 -0.58 0.00 -0.56 0.00 0.00 56.30 55.03 3i6k h ASN 174 Cb 1.66 -0.07 -0.37 0.00 -1.06 0.00 0.00 38.32 38.48 3i6k h ASN 174 CO 0.16 0.24 -0.19 0.61 -1.06 0.00 0.00 177.43 177.19 3i6k n GLY 175 N -1.50 6.16 0.34 2.83 0.00 0.29 -4.85 105.19 108.46 3i6k n GLY 175 Ca 0.14 -2.49 -0.11 0.00 0.00 0.00 0.00 46.02 43.56 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 2.07 -0.38 -0.45 1.61 3.64 -0.94 0.87 116.57 122.99 3i6k h LYS 176 Ca 0.45 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.99 3i6k h LYS 176 Cb 1.29 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 3i6k h LYS 176 CO 1.04 -0.26 0.34 0.93 -2.27 0.00 0.00 179.45 179.24 3i6k h GLU 177 N -0.40 0.00 0.00 1.90 4.39 -1.88 -0.53 114.58 118.06 3i6k h GLU 177 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i6k h GLU 177 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3i6k h GLU 177 CO -0.34 0.00 -0.33 2.41 -1.16 0.00 0.00 179.01 179.59 3i6k n THR 178 N -4.28 0.82 -0.12 1.13 -1.04 -0.78 -4.51 114.28 105.50 3i6k n THR 178 Ca 0.08 0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 62.29 3i6k n THR 178 Cb 0.54 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.57 0.91 -3.33 -4.42 3.38 0.76 -3.14 115.31 108.91 3i6k h LEU 179 Ca 0.00 -0.46 -0.29 0.00 0.09 0.00 0.00 57.88 57.23 3i6k h LEU 179 Cb 0.33 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 3i6k h LEU 179 CO 0.00 1.18 0.37 0.00 0.09 0.00 0.00 178.44 180.08 3i6k n GLN 180 N -4.15 1.71 -4.39 1.13 6.02 -0.21 -4.89 117.38 112.60 3i6k n GLN 180 Ca -0.02 -1.42 -0.25 0.00 -0.01 0.00 0.00 57.00 55.29 3i6k n GLN 180 Cb 0.51 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.64 1.83 -0.06 -1.09 1.70 -1.19 -4.89 118.95 113.61 3i6k s ARG 181 Ca 0.28 -1.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.01 3i6k s ARG 181 Cb 0.22 -1.94 0.02 0.00 -0.57 0.00 0.00 34.95 32.68 3i6k s ARG 181 CO 0.01 0.37 -0.08 0.95 -1.08 0.00 0.00 175.30 175.47 3i6k s THR 182 N -2.11 0.84 -0.38 4.99 -4.23 -1.26 -4.57 115.64 108.91 3i6k s THR 182 Ca 0.27 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 3i6k s THR 182 Cb -0.07 -0.82 0.05 0.00 1.34 0.00 0.00 72.50 73.00 3i6k s THR 182 CO 0.15 0.30 0.20 -1.81 -0.54 0.00 0.00 174.62 172.92 3i6k s ASP 183 N 0.99 5.58 0.28 3.99 1.01 0.66 -4.93 116.67 124.25 3i6k s ASP 183 Ca -0.09 -1.25 -0.30 0.00 0.71 0.00 0.00 52.55 51.62 3i6k s ASP 183 Cb -0.15 -1.97 -0.11 0.00 1.01 0.00 0.00 42.92 41.71 3i6k s ASP 183 CO 0.00 -0.43 1.57 0.00 0.21 0.00 0.00 175.17 176.52 3i6k s ALA 184 N 1.46 3.74 0.25 5.23 0.00 -1.26 -1.73 121.76 129.44 3i6k s ALA 184 Ca 0.01 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3i6k s ALA 184 Cb -0.21 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 19.17 3i6k s ALA 184 CO 0.04 -0.94 1.55 -2.14 0.00 0.00 0.00 175.76 174.27 3i6k s PRO 185 N -0.40 4.19 -0.09 0.00 0.02 -1.26 -4.64 135.00 132.82 3i6k s PRO 185 Ca 0.63 2.45 -0.27 0.00 0.02 0.00 0.00 61.00 63.84 3i6k s PRO 185 Cb -0.47 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 30.95 3i6k s PRO 185 CO 0.46 -0.57 0.87 0.15 -0.33 0.00 0.00 177.00 177.58 3i6k s LYS 186 N -0.01 4.42 0.29 5.54 1.02 -0.33 -4.85 119.74 125.83 3i6k s LYS 186 Ca 0.64 1.15 0.11 0.00 0.02 0.00 0.00 55.97 57.89 3i6k s LYS 186 Cb -0.45 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.30 3i6k s LYS 186 CO 0.42 -0.17 -0.10 0.95 -0.92 0.00 0.00 175.35 175.54 3i6k s THR 187 N 1.53 2.77 -0.21 2.17 -4.23 -1.26 -1.46 115.64 114.95 3i6k s THR 187 Ca 0.43 -2.17 -0.36 0.00 -1.18 0.00 0.00 61.69 58.41 3i6k s THR 187 Cb -0.18 -2.57 0.14 0.00 1.34 0.00 0.00 72.50 71.23 3i6k s THR 187 CO 0.18 -0.34 1.23 -1.38 -0.54 0.00 0.00 174.62 173.78 3i6k s HIS 188 N -2.47 -0.11 0.02 3.99 -3.43 -1.22 -5.02 115.29 107.05 3i6k s HIS 188 Ca 0.31 0.07 0.07 0.00 -0.80 0.00 0.00 55.06 54.71 3i6k s HIS 188 Cb -0.04 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 3i6k s HIS 188 CO 0.17 -0.18 -0.20 1.41 -2.00 0.00 0.00 174.74 173.95 3i6k s MET 189 N -2.34 1.47 -0.08 -0.38 1.75 -1.26 -1.41 119.30 117.04 3i6k s MET 189 Ca 0.10 -0.84 0.03 0.00 -1.25 0.00 0.00 55.69 53.73 3i6k s MET 189 Cb -0.01 -1.51 0.01 0.00 2.84 0.00 0.00 34.83 36.15 3i6k s MET 189 CO -0.04 0.40 -0.18 0.95 -0.65 0.00 0.00 175.02 175.50 3i6k s THR 190 N -0.66 1.56 -0.23 10.11 -4.23 -0.92 -5.01 115.64 116.26 3i6k s THR 190 Ca 0.07 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 3i6k s THR 190 Cb -0.08 -1.38 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3i6k s THR 190 CO 0.01 0.45 0.14 -2.28 -0.54 0.00 0.00 174.62 172.39 3i6k s HIS 191 N 0.52 3.29 -0.18 3.99 2.46 -1.26 -2.06 115.29 122.06 3i6k s HIS 191 Ca -0.16 0.16 -0.01 0.00 0.47 0.00 0.00 55.06 55.52 3i6k s HIS 191 Cb -0.17 -2.23 0.05 0.00 -0.13 0.00 0.00 32.58 30.10 3i6k s HIS 191 CO 0.06 0.06 -0.02 -1.58 -2.47 0.00 0.00 174.74 170.79 3i6k s HIS 192 N 0.95 1.49 -0.71 3.88 5.04 -0.62 -5.01 115.29 120.30 3i6k s HIS 192 Ca 0.07 -1.02 -0.27 0.00 -1.54 0.00 0.00 55.06 52.30 3i6k s HIS 192 Cb -0.13 -1.21 0.01 0.00 0.04 0.00 0.00 32.58 31.29 3i6k s HIS 192 CO 0.03 -0.61 1.48 0.00 -2.34 0.00 0.00 174.74 173.31 3i6k s ALA 193 N 1.70 2.54 -0.01 1.58 0.00 -1.26 -0.83 121.76 125.49 3i6k s ALA 193 Ca -0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3i6k s ALA 193 Cb -0.16 -4.29 -0.01 0.00 0.00 0.00 0.00 23.12 18.66 3i6k s ALA 193 CO -0.07 -3.53 0.31 0.28 0.00 0.00 0.00 175.76 172.75 3i6k h VAL 194 N 6.35 0.00 -3.48 0.00 2.07 -1.89 -3.48 116.25 115.83 3i6k h VAL 194 Ca -0.25 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3i6k h VAL 194 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3i6k h VAL 194 CO 1.26 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 178.61 3i6k n SER 195 N -2.32 0.00 0.06 0.57 2.88 -0.60 -5.03 113.62 109.19 3i6k n SER 195 Ca -0.01 -0.79 0.05 0.00 -1.33 0.00 0.00 58.87 56.79 3i6k n SER 195 Cb 0.02 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 3i6k n SER 195 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3i6k n ASP 196 N -2.37 0.87 -0.03 -3.46 4.64 -1.26 -4.27 116.55 110.66 3i6k n ASP 196 Ca 0.00 0.36 0.05 0.00 -1.38 0.00 0.00 54.79 53.82 3i6k n ASP 196 Cb 0.00 0.27 -0.15 0.00 -1.04 0.00 0.00 41.12 40.19 3i6k n ASP 196 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 3i6k n HIS 197 N -2.80 0.00 -4.50 -0.67 -0.00 -1.26 -4.83 115.22 101.16 3i6k n HIS 197 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.46 3i6k n HIS 197 Cb 0.72 -0.58 -0.15 0.00 -0.00 0.00 0.00 29.99 29.97 3i6k n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i6k s GLU 198 N -3.14 1.01 0.16 -0.41 2.02 -1.26 -2.46 118.70 114.62 3i6k s GLU 198 Ca -0.08 -0.40 0.09 0.00 0.02 0.00 0.00 54.97 54.60 3i6k s GLU 198 Cb 0.11 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 3i6k s GLU 198 CO 0.82 0.21 -0.19 0.00 0.02 0.00 0.00 175.26 176.11 3i6k s ALA 199 N -0.11 2.07 -0.17 5.21 0.00 0.09 -1.55 121.76 127.29 3i6k s ALA 199 Ca 0.02 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 3i6k s ALA 199 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3i6k s ALA 199 CO -0.00 0.28 0.03 0.95 0.00 0.00 0.00 175.76 177.02 3i6k s THR 200 N -1.90 4.49 -0.23 0.00 -4.23 -0.01 -0.07 115.64 113.70 3i6k s THR 200 Ca 0.15 -0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 3i6k s THR 200 Cb -0.06 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 3i6k s THR 200 CO 0.07 0.47 0.07 -0.76 -0.54 0.00 0.00 174.62 173.94 3i6k s LEU 201 N 0.35 3.56 -0.16 4.79 1.43 -0.40 -1.58 118.68 126.67 3i6k s LEU 201 Ca 0.01 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3i6k s LEU 201 Cb -0.13 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3i6k s LEU 201 CO 0.01 0.02 -0.12 -0.60 0.23 0.00 0.00 176.35 175.89 3i6k s ARG 202 N 1.30 3.33 -0.27 1.70 3.52 -0.87 -1.40 118.95 126.25 3i6k s ARG 202 Ca 0.05 -0.69 -0.12 0.00 -0.13 0.00 0.00 55.73 54.84 3i6k s ARG 202 Cb -0.15 -2.72 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 3i6k s ARG 202 CO 0.04 0.05 0.24 0.00 -0.81 0.00 0.00 175.30 174.82 3i6k s TRP 204 N 1.75 3.59 -0.07 0.00 0.52 -0.50 -1.53 118.94 122.70 3i6k s TRP 204 Ca 0.10 0.49 -0.00 0.00 0.02 0.00 0.00 56.10 56.71 3i6k s TRP 204 Cb -0.16 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3i6k s TRP 204 CO 0.10 0.71 -0.04 0.00 0.02 0.00 0.00 176.95 177.75 3i6k s ALA 205 N -1.11 0.83 0.12 0.98 0.00 0.08 -3.46 121.76 119.20 3i6k s ALA 205 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3i6k s ALA 205 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3i6k s ALA 205 CO 0.08 -0.26 -0.09 -0.51 0.00 0.00 0.00 175.76 174.99 3i6k s LEU 206 N 1.46 2.49 -1.54 0.00 1.43 -0.54 -1.54 118.68 120.46 3i6k s LEU 206 Ca -0.02 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 3i6k s LEU 206 Cb -0.13 -0.23 0.10 0.00 0.03 0.00 0.00 46.19 45.95 3i6k s LEU 206 CO -0.03 -0.37 0.88 -1.20 0.23 0.00 0.00 176.35 175.86 3i6k n SER 207 N 0.05 -4.50 -4.80 2.29 7.64 -1.09 -1.18 113.62 112.02 3i6k n SER 207 Ca -0.12 -0.75 -0.28 0.00 1.01 0.00 0.00 58.87 58.73 3i6k n SER 207 Cb 0.60 -3.62 -0.06 0.00 -1.01 0.00 0.00 64.21 60.12 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 -3.24 3.18 -0.23 1.43 -0.12 -1.11 -4.62 117.98 113.27 3i6k s PHE 208 Ca 0.64 0.02 -0.19 0.00 -0.05 0.00 0.00 56.93 57.35 3i6k s PHE 208 Cb -0.33 -1.55 0.06 0.00 -0.63 0.00 0.00 43.02 40.57 3i6k s PHE 208 CO 0.79 0.52 0.60 -0.47 -0.05 0.00 0.00 175.22 176.61 3i6k s TYR 209 N -1.64 -0.73 0.00 3.49 5.04 -0.70 -1.13 117.35 121.68 3i6k s TYR 209 Ca 0.31 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 3i6k s TYR 209 Cb -0.11 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.50 3i6k s TYR 209 CO 0.23 -0.36 0.00 -0.35 -1.34 0.00 0.00 175.55 173.74 3i6k n PRO 210 N 3.16 -0.26 0.17 4.97 -0.04 -1.26 -0.25 135.00 141.49 3i6k n PRO 210 Ca -0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.35 3i6k n PRO 210 Cb 0.56 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.26 3i6k n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i6k h ALA 211 N -2.00 0.88 -2.49 0.55 0.00 -1.96 -3.45 119.26 110.79 3i6k h ALA 211 Ca 0.00 -0.38 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 3i6k h ALA 211 Cb 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 17.83 3i6k h ALA 211 CO 0.00 0.52 0.50 -1.91 0.00 0.00 0.00 179.25 178.36 3i6k n GLU 212 N -3.42 2.09 -3.61 0.00 4.07 -1.26 -4.96 120.64 113.54 3i6k n GLU 212 Ca 0.00 0.73 -0.03 0.00 -0.06 0.00 0.00 57.16 57.81 3i6k n GLU 212 Cb 0.58 -2.31 -0.02 0.00 -0.06 0.00 0.00 31.44 29.63 3i6k n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3i6k s ILE 213 N -0.99 0.00 -0.05 6.31 2.07 -1.26 -4.78 121.20 122.49 3i6k s ILE 213 Ca 0.57 -0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.76 3i6k s ILE 213 Cb -0.58 -1.15 0.04 0.00 0.13 0.00 0.00 42.46 40.90 3i6k s ILE 213 CO 0.61 0.00 0.12 0.42 -1.91 0.00 0.00 174.94 174.17 3i6k s THR 214 N -2.31 -0.07 -0.15 4.00 -4.23 -1.10 -5.04 115.64 106.75 3i6k s THR 214 Ca 0.11 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 3i6k s THR 214 Cb -0.00 -0.20 0.01 0.00 1.34 0.00 0.00 72.50 73.65 3i6k s THR 214 CO -0.04 0.09 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.16 3i6k s LEU 215 N 1.28 2.15 0.06 4.79 1.43 -1.26 -2.41 118.68 124.72 3i6k s LEU 215 Ca -0.08 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3i6k s LEU 215 Cb -0.12 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3i6k s LEU 215 CO -0.05 0.07 -0.20 -0.89 0.23 0.00 0.00 176.35 175.51 3i6k s THR 216 N 0.87 1.60 -0.12 5.49 2.01 -0.80 -4.98 115.64 119.71 3i6k s THR 216 Ca -0.06 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 3i6k s THR 216 Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 3i6k s THR 216 CO -0.03 0.10 -0.09 0.26 -0.69 0.00 0.00 174.62 174.18 3i6k s TRP 217 N -0.91 2.90 -0.02 4.92 0.52 -1.26 -1.08 118.94 124.00 3i6k s TRP 217 Ca 0.06 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.87 3i6k s TRP 217 Cb -0.09 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3i6k s TRP 217 CO 0.02 -0.02 -0.17 -0.65 0.02 0.00 0.00 176.95 176.15 3i6k s GLN 218 N 0.06 1.50 -0.24 4.98 -0.21 -0.71 -1.58 119.66 123.46 3i6k s GLN 218 Ca -0.03 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 3i6k s GLN 218 Cb -0.14 -1.40 0.02 0.00 1.00 0.00 0.00 33.01 32.48 3i6k s GLN 218 CO 0.04 0.33 -0.06 0.50 -2.12 0.00 0.00 175.29 173.98 3i6k s ARG 219 N -0.27 2.99 -0.70 2.91 3.00 0.72 -1.15 118.95 126.45 3i6k s ARG 219 Ca 0.04 -0.87 0.00 0.00 -1.00 0.00 0.00 55.73 53.89 3i6k s ARG 219 Cb -0.08 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 31.88 3i6k s ARG 219 CO 0.00 -0.34 0.00 -0.25 0.00 0.00 0.00 175.30 174.71 3i6k n ASP 220 N 4.71 -4.65 0.00 -2.12 8.00 -0.06 -1.87 116.55 120.56 3i6k n ASP 220 Ca -0.17 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3i6k n ASP 220 Cb 0.48 -2.73 0.00 0.00 -0.02 0.00 0.00 41.12 38.85 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 -1.03 0.82 3.11 0.44 0.00 -1.26 -5.08 105.19 102.19 3i6k n GLY 221 Ca -0.07 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.70 2.11 0.87 1.61 0.41 -0.78 -5.04 118.70 116.18 3i6k s GLU 222 Ca 0.00 -0.60 -0.15 0.00 -0.41 0.00 0.00 54.97 53.81 3i6k s GLU 222 Cb 0.00 -1.70 -0.05 0.00 -1.78 0.00 0.00 34.13 30.60 3i6k s GLU 222 CO 0.00 0.13 0.07 -0.25 -0.49 0.00 0.00 175.26 174.72 3i6k n ASP 223 N 3.55 -3.03 -4.48 -0.19 9.92 -1.26 -0.20 116.55 120.86 3i6k n ASP 223 Ca -0.21 0.38 -0.27 0.00 -0.53 0.00 0.00 54.79 54.16 3i6k n ASP 223 Cb 0.52 -1.06 -0.11 0.00 -0.64 0.00 0.00 41.12 39.83 3i6k n ASP 223 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3i6k s GLN 224 N -2.78 1.72 0.01 -1.24 -1.52 -0.61 -4.65 119.66 110.58 3i6k s GLN 224 Ca 0.55 -1.41 -0.11 0.00 -1.95 0.00 0.00 55.36 52.43 3i6k s GLN 224 Cb -0.26 -1.97 -0.06 0.00 -0.22 0.00 0.00 33.01 30.50 3i6k s GLN 224 CO 0.69 0.42 0.91 0.00 -0.25 0.00 0.00 175.29 177.05 3i6k h THR 225 N 3.10 0.00 0.00 -0.19 1.03 -1.94 -3.48 112.91 111.43 3i6k h THR 225 Ca -0.47 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 3i6k h THR 225 Cb 1.20 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 3i6k h THR 225 CO 0.50 0.00 0.00 0.41 -0.01 0.00 0.00 175.52 176.42 3i6k n THR 228 N -3.39 0.00 -4.04 0.00 -1.04 -1.25 -5.08 114.28 99.47 3i6k n THR 228 Ca -0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 3i6k n THR 228 Cb 0.16 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.52 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 -4.04 2.63 -0.38 -2.82 2.12 0.01 -4.98 118.70 111.24 3i6k s GLU 229 Ca 0.00 -1.09 -0.03 0.00 0.36 0.00 0.00 54.97 54.20 3i6k s GLU 229 Cb 0.00 -2.85 0.09 0.00 0.26 0.00 0.00 34.13 31.63 3i6k s GLU 229 CO 0.00 -0.43 0.16 -1.17 -0.54 0.00 0.00 175.26 173.28 3i6k s LEU 230 N 1.23 4.87 0.28 2.70 0.20 -1.26 -1.41 118.68 125.29 3i6k s LEU 230 Ca -0.02 -1.75 -0.29 0.00 0.69 0.00 0.00 54.13 52.76 3i6k s LEU 230 Cb -0.17 -1.82 -0.09 0.00 -0.43 0.00 0.00 46.19 43.67 3i6k s LEU 230 CO -0.07 -0.46 1.07 0.68 -0.29 0.00 0.00 176.35 177.28 3i6k s VAL 231 N 1.21 3.59 0.17 1.68 -7.23 -1.12 -4.96 120.40 113.75 3i6k s VAL 231 Ca 0.04 1.58 -0.34 0.00 -1.81 0.00 0.00 61.98 61.45 3i6k s VAL 231 Cb -0.22 -3.99 -0.15 0.00 0.56 0.00 0.00 36.38 32.58 3i6k s VAL 231 CO -0.02 0.36 1.42 1.21 -0.31 0.00 0.00 175.10 177.75 3i6k n GLU 232 N 1.15 1.78 -1.69 4.82 2.13 -1.26 -4.61 120.64 122.96 3i6k n GLU 232 Ca -0.01 0.64 -0.44 0.00 0.66 0.00 0.00 57.16 58.01 3i6k n GLU 232 Cb 0.45 -2.31 -0.04 0.00 0.27 0.00 0.00 31.44 29.82 3i6k n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3i6k n THR 233 N 2.53 0.18 -4.32 6.31 -1.04 -1.26 -4.90 114.28 111.78 3i6k n THR 233 Ca 0.15 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 3i6k n THR 233 Cb 0.27 -1.87 -0.11 0.00 -1.82 0.00 0.00 70.33 66.80 3i6k n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i6k s ARG 234 N 1.91 1.78 0.15 -2.82 1.70 -0.72 -4.95 118.95 116.01 3i6k s ARG 234 Ca 0.81 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 3i6k s ARG 234 Cb -0.58 -2.08 -0.07 0.00 -0.57 0.00 0.00 34.95 31.65 3i6k s ARG 234 CO 0.38 0.46 0.94 -2.14 -1.08 0.00 0.00 175.30 173.86 3i6k s PRO 235 N -2.32 4.74 0.30 3.89 0.02 -1.26 0.22 135.00 140.59 3i6k s PRO 235 Ca 0.19 1.44 0.15 0.00 0.02 0.00 0.00 61.00 62.81 3i6k s PRO 235 Cb -0.10 -3.34 0.33 0.00 0.02 0.00 0.00 34.50 31.41 3i6k s PRO 235 CO 0.11 0.33 1.57 0.00 -0.33 0.00 0.00 177.00 178.68 3i6k h ALA 236 N 5.05 0.80 0.00 -1.55 0.00 -1.53 -3.46 119.26 118.57 3i6k h ALA 236 Ca -0.44 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3i6k h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i6k h ALA 236 CO 0.70 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.00 3i6k n GLY 237 N 0.73 0.56 0.21 0.00 0.00 -1.26 -4.92 105.19 100.51 3i6k n GLY 237 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 1.69 0.00 1.61 5.75 -1.26 -4.97 116.55 119.37 3i6k n ASP 238 Ca 0.00 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 3i6k n ASP 238 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3i6k n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i6k n GLY 239 N -1.03 0.73 3.87 6.12 0.00 -1.26 -5.06 105.19 108.57 3i6k n GLY 239 Ca 0.12 0.00 -0.26 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 -2.48 1.79 0.15 2.61 -4.23 -1.26 -4.90 115.64 107.32 3i6k s THR 240 Ca 0.00 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3i6k s THR 240 Cb 0.00 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 3i6k s THR 240 CO 0.00 0.00 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.59 3i6k s PHE 241 N -2.73 1.47 0.33 3.99 0.08 -0.28 -1.34 117.98 119.49 3i6k s PHE 241 Ca 0.34 -0.61 0.09 0.00 0.12 0.00 0.00 56.93 56.88 3i6k s PHE 241 Cb -0.01 -0.73 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 3i6k s PHE 241 CO 0.21 0.19 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.77 3i6k s GLN 242 N -3.22 1.77 -0.29 0.44 -0.21 0.13 -2.69 119.66 115.59 3i6k s GLN 242 Ca 0.15 -1.91 -0.24 0.00 0.02 0.00 0.00 55.36 53.38 3i6k s GLN 242 Cb -0.02 -1.63 0.18 0.00 1.00 0.00 0.00 33.01 32.54 3i6k s GLN 242 CO 0.04 0.14 1.35 0.21 -2.12 0.00 0.00 175.29 174.91 3i6k s LYS 243 N -3.62 0.15 0.05 2.91 2.20 -0.59 -1.76 119.74 119.08 3i6k s LYS 243 Ca 0.32 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3i6k s LYS 243 Cb 0.02 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 3i6k s LYS 243 CO 0.16 -0.02 -0.07 1.67 -0.36 0.00 0.00 175.35 176.73 3i6k s TRP 244 N 0.14 0.68 -0.06 4.03 1.48 -1.26 -0.74 118.94 123.22 3i6k s TRP 244 Ca 0.05 -0.57 0.03 0.00 -1.06 0.00 0.00 56.10 54.56 3i6k s TRP 244 Cb -0.05 -0.41 0.00 0.00 -1.16 0.00 0.00 33.47 31.86 3i6k s TRP 244 CO -0.14 -0.10 -0.15 0.00 -4.06 0.00 0.00 176.95 172.50 3i6k s ALA 245 N -1.76 1.44 0.11 2.67 0.00 -0.58 -2.77 121.76 120.86 3i6k s ALA 245 Ca -0.07 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.39 3i6k s ALA 245 Cb -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3i6k s ALA 245 CO -0.01 0.21 -0.21 0.00 0.00 0.00 0.00 175.76 175.76 3i6k s ALA 246 N 0.30 1.85 0.00 0.00 0.00 -0.50 0.16 121.76 123.57 3i6k s ALA 246 Ca -0.09 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3i6k s ALA 246 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3i6k s ALA 246 CO 0.03 0.35 -0.05 0.14 0.00 0.00 0.00 175.76 176.23 3i6k s VAL 247 N -1.30 0.40 -0.46 0.00 -7.23 -0.49 -0.81 120.40 110.51 3i6k s VAL 247 Ca 0.08 -0.29 -0.19 0.00 -1.81 0.00 0.00 61.98 59.77 3i6k s VAL 247 Cb -0.09 -0.36 0.04 0.00 0.56 0.00 0.00 36.38 36.53 3i6k s VAL 247 CO 0.05 0.07 0.60 -0.69 -0.31 0.00 0.00 175.10 174.81 3i6k s VAL 248 N -0.23 4.90 -0.04 1.32 1.01 -1.26 -1.27 120.40 124.82 3i6k s VAL 248 Ca 0.01 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3i6k s VAL 248 Cb -0.03 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3i6k s VAL 248 CO -0.00 -0.65 -0.17 0.68 0.00 0.00 0.00 175.10 174.96 3i6k s VAL 249 N 2.61 2.85 0.37 2.92 -7.23 0.90 -4.91 120.40 117.92 3i6k s VAL 249 Ca 0.17 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 3i6k s VAL 249 Cb -0.17 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.57 3i6k s VAL 249 CO 0.15 0.59 1.46 -0.81 -0.31 0.00 0.00 175.10 176.18 3i6k n PRO 250 N 2.36 2.61 -1.75 4.82 -0.04 -1.26 -0.73 135.00 141.00 3i6k n PRO 250 Ca -0.17 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 63.79 3i6k n PRO 250 Cb 0.52 -2.63 -0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3i6k n PRO 250 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i6k n SER 251 N 0.49 3.58 0.00 3.54 7.64 -1.03 -2.32 113.62 125.53 3i6k n SER 251 Ca 0.02 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3i6k n SER 251 Cb 0.38 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 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 0.83 3.14 2.20 0.23 0.00 -1.26 -4.86 105.19 105.47 3i6k n GLY 252 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.25 2.30 -0.08 1.61 6.02 -0.98 -4.61 117.38 120.39 3i6k n GLN 253 Ca 0.00 -3.06 -0.12 0.00 -0.01 0.00 0.00 57.00 53.81 3i6k n GLN 253 Cb 0.00 -2.18 -0.05 0.00 1.02 0.00 0.00 30.24 29.03 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 1.15 0.46 0.00 -1.09 3.07 -1.89 -3.11 114.58 113.17 3i6k h GLU 254 Ca 0.62 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3i6k h GLU 254 Cb 2.52 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.41 3i6k h GLU 254 CO 1.15 0.70 0.00 0.00 -1.40 0.00 0.00 179.01 179.46 3i6k n GLN 255 N -4.56 0.15 0.11 2.33 0.00 -1.26 -1.41 117.38 112.74 3i6k n GLN 255 Ca -0.04 0.50 0.11 0.00 0.00 0.00 0.00 57.00 57.57 3i6k n GLN 255 Cb 0.30 -1.87 0.46 0.00 0.00 0.00 0.00 30.24 29.13 3i6k n GLN 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3i6k n ARG 256 N -2.17 0.16 -4.53 2.61 1.74 -1.17 -4.76 116.66 108.53 3i6k n ARG 256 Ca 0.01 0.42 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 3i6k n ARG 256 Cb 0.14 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 29.66 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 -3.28 3.02 -0.03 -1.55 1.51 -0.50 -0.88 117.35 115.64 3i6k s TYR 257 Ca 0.04 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 3i6k s TYR 257 Cb 0.09 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3i6k s TYR 257 CO 0.35 0.37 -0.05 0.95 -1.11 0.00 0.00 175.55 176.06 3i6k s THR 258 N -0.80 0.49 -0.01 -0.71 -4.23 -0.30 -4.49 115.64 105.59 3i6k s THR 258 Ca 0.12 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 3i6k s THR 258 Cb -0.11 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.20 3i6k s THR 258 CO 0.02 0.18 0.38 0.00 -0.54 0.00 0.00 174.62 174.66 3i6k s HIS 260 N -1.05 2.37 -0.14 0.00 3.76 -0.24 -0.62 115.29 119.36 3i6k s HIS 260 Ca 0.23 -1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 53.62 3i6k s HIS 260 Cb -0.16 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 3i6k s HIS 260 CO 0.12 -0.73 -0.08 0.08 -0.85 0.00 0.00 174.74 173.29 3i6k s VAL 261 N 1.41 3.50 -0.03 -0.90 1.01 -0.66 -1.90 120.40 122.83 3i6k s VAL 261 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3i6k s VAL 261 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3i6k s VAL 261 CO -0.09 0.51 -0.11 -1.58 0.00 0.00 0.00 175.10 173.83 3i6k s GLN 262 N 0.33 1.16 -0.19 2.72 -0.44 -1.01 -1.30 119.66 120.93 3i6k s GLN 262 Ca -0.07 -0.37 -0.22 0.00 -2.50 0.00 0.00 55.36 52.20 3i6k s GLN 262 Cb -0.15 -1.06 0.06 0.00 -1.64 0.00 0.00 33.01 30.22 3i6k s GLN 262 CO 0.04 0.13 0.60 -1.58 0.50 0.00 0.00 175.29 174.99 3i6k s HIS 263 N 0.20 -0.64 -1.30 1.67 5.65 -1.26 -2.70 115.29 116.90 3i6k s HIS 263 Ca -0.04 1.49 0.02 0.00 0.25 0.00 0.00 55.06 56.78 3i6k s HIS 263 Cb -0.10 0.25 0.10 0.00 -1.18 0.00 0.00 32.58 31.65 3i6k s HIS 263 CO 0.01 -0.37 0.93 -0.85 -0.65 0.00 0.00 174.74 173.81 3i6k n GLU 264 N 2.42 0.02 0.04 2.88 0.28 -1.26 0.09 120.64 125.11 3i6k n GLU 264 Ca -0.15 0.33 0.13 0.00 -0.16 0.00 0.00 57.16 57.30 3i6k n GLU 264 Cb 0.56 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 32.29 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 -1.16 -1.47 3.75 -1.84 0.00 -1.26 -4.83 105.19 98.38 3i6k n GLY 265 Ca 0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.71 4.26 0.26 0.99 1.43 0.11 -4.49 118.68 117.54 3i6k s LEU 266 Ca 0.10 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3i6k s LEU 266 Cb 0.15 -2.28 0.46 0.00 0.03 0.00 0.00 46.19 44.55 3i6k s LEU 266 CO 0.64 0.17 1.81 -0.65 0.23 0.00 0.00 176.35 178.54 3i6k h PRO 267 N 6.37 0.78 -3.62 1.29 0.11 -1.88 -3.45 132.00 131.61 3i6k h PRO 267 Ca -0.43 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3i6k h PRO 267 Cb 1.17 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.99 3i6k h PRO 267 CO 0.73 0.52 -0.16 -1.59 -0.21 0.00 0.00 178.00 177.29 3i6k s LYS 268 N -6.00 1.26 0.72 1.05 -2.85 -1.26 -5.16 119.74 107.50 3i6k s LYS 268 Ca -0.12 -1.03 -0.16 0.00 -1.00 0.00 0.00 55.97 53.66 3i6k s LYS 268 Cb 0.20 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.43 3i6k s LYS 268 CO 0.79 -0.50 1.06 -2.30 0.10 0.00 0.00 175.35 174.49 3i6k n PRO 269 N -0.27 0.57 -4.09 1.78 -0.02 -1.26 -4.95 135.00 126.75 3i6k n PRO 269 Ca -0.09 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.33 3i6k n PRO 269 Cb 0.63 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 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 -3.68 3.83 -0.19 2.45 1.43 -0.42 -4.96 118.68 117.14 3i6k s LEU 270 Ca 0.75 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 3i6k s LEU 270 Cb -0.34 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.56 3i6k s LEU 270 CO 0.49 0.23 -0.10 -0.89 0.23 0.00 0.00 176.35 176.31 3i6k s THR 271 N -1.27 1.56 -0.11 5.49 2.01 -1.26 -1.65 115.64 120.41 3i6k s THR 271 Ca 0.26 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3i6k s THR 271 Cb -0.12 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 3i6k s THR 271 CO 0.17 0.17 0.00 -0.76 -0.69 0.00 0.00 174.62 173.52 3i6k s LEU 272 N 1.43 3.55 0.10 4.42 1.43 0.20 -4.93 118.68 124.89 3i6k s LEU 272 Ca -0.01 0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.24 3i6k s LEU 272 Cb -0.16 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3i6k s LEU 272 CO -0.08 0.32 -0.16 -0.13 0.23 0.00 0.00 176.35 176.52 3i6k s ARG 273 N -0.50 0.99 -1.00 1.70 0.52 -1.26 -0.09 118.95 119.30 3i6k s ARG 273 Ca 0.09 -1.11 -0.23 0.00 -0.52 0.00 0.00 55.73 53.95 3i6k s ARG 273 Cb -0.12 -1.04 0.05 0.00 0.52 0.00 0.00 34.95 34.35 3i6k s ARG 273 CO 0.02 0.23 1.44 -0.46 0.02 0.00 0.00 175.30 176.55 3i6k s TRP 274 N -1.49 2.52 0.00 -0.53 -0.11 -1.26 -5.01 118.94 113.06 3i6k s TRP 274 Ca 0.04 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 56.57 3i6k s TRP 274 Cb -0.09 -4.70 0.00 0.00 -1.50 0.00 0.00 33.47 27.19 3i6k s TRP 274 CO 0.03 -1.95 0.00 -0.85 -4.62 0.00 0.00 176.95 169.57