#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9s s SER 2 N 0.00 4.22 0.17 1.61 0.01 -1.26 -3.80 113.70 114.64 3h9s s SER 2 Ca 0.00 1.92 -0.00 0.00 1.31 0.00 0.00 55.95 59.18 3h9s s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3h9s s SER 2 CO 0.00 -2.23 0.07 -1.00 0.41 0.00 0.00 173.24 170.49 3h9s s HIS 3 N -2.79 1.05 0.03 2.43 4.02 -0.64 -4.95 115.29 114.44 3h9s s HIS 3 Ca 0.63 -1.25 -0.10 0.00 1.02 0.00 0.00 55.06 55.36 3h9s s HIS 3 Cb -0.19 -0.57 0.01 0.00 -1.02 0.00 0.00 32.58 30.81 3h9s s HIS 3 CO 0.55 -0.50 0.21 -1.54 1.02 0.00 0.00 174.74 174.48 3h9s s SER 4 N -3.12 -0.01 -0.12 1.40 1.04 -1.26 -1.23 113.70 110.40 3h9s s SER 4 Ca 0.30 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3h9s s SER 4 Cb 0.07 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3h9s s SER 4 CO 0.06 -0.53 -0.11 -0.32 0.98 0.00 0.00 173.24 173.32 3h9s s MET 5 N -2.26 1.91 0.02 4.02 0.00 -0.90 -1.15 119.30 120.93 3h9s s MET 5 Ca -0.07 -0.42 0.04 0.00 0.00 0.00 0.00 55.69 55.24 3h9s s MET 5 Cb -0.02 -1.79 -0.02 0.00 0.00 0.00 0.00 34.83 33.00 3h9s s MET 5 CO -0.02 -0.20 -0.13 1.03 0.00 0.00 0.00 175.02 175.70 3h9s s ARG 6 N 1.43 0.98 -0.08 4.11 0.52 -0.15 -1.84 118.95 123.91 3h9s s ARG 6 Ca 0.01 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3h9s s ARG 6 Cb -0.13 -0.96 -0.00 0.00 0.52 0.00 0.00 34.95 34.38 3h9s s ARG 6 CO -0.07 0.25 -0.21 0.71 0.02 0.00 0.00 175.30 176.00 3h9s s TYR 7 N -0.59 2.25 -0.05 -0.53 2.02 -0.21 -0.26 117.35 119.98 3h9s s TYR 7 Ca 0.03 -0.83 0.05 0.00 -0.37 0.00 0.00 57.07 55.95 3h9s s TYR 7 Cb -0.06 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 3h9s s TYR 7 CO 0.00 -0.33 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.40 3h9s s PHE 8 N 0.26 2.55 -0.04 2.71 0.40 -0.49 -2.22 117.98 121.15 3h9s s PHE 8 Ca -0.13 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 3h9s s PHE 8 Cb -0.16 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.77 3h9s s PHE 8 CO 0.06 -0.01 -0.07 -0.06 0.70 0.00 0.00 175.22 175.84 3h9s s PHE 9 N -0.45 0.88 -0.08 0.36 0.40 0.11 -1.53 117.98 117.68 3h9s s PHE 9 Ca 0.05 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3h9s s PHE 9 Cb -0.12 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.72 3h9s s PHE 9 CO 0.01 -0.17 -0.13 0.99 0.70 0.00 0.00 175.22 176.62 3h9s s THR 10 N 0.63 1.27 -0.13 0.64 2.01 -0.02 -0.94 115.64 119.10 3h9s s THR 10 Ca -0.09 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.38 3h9s s THR 10 Cb -0.13 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.24 3h9s s THR 10 CO 0.01 0.39 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.63 3h9s s SER 11 N 0.80 2.62 -0.07 3.53 0.15 0.93 -1.38 113.70 120.27 3h9s s SER 11 Ca -0.12 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.09 3h9s s SER 11 Cb -0.16 -1.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 3h9s s SER 11 CO 0.02 -0.02 -0.14 0.54 1.20 0.00 0.00 173.24 174.84 3h9s s VAL 12 N 1.25 1.31 0.48 4.45 0.11 -0.31 -0.45 120.40 127.23 3h9s s VAL 12 Ca -0.00 -0.58 -0.12 0.00 -2.93 0.00 0.00 61.98 58.35 3h9s s VAL 12 Cb -0.14 -1.18 -0.06 0.00 -1.53 0.00 0.00 36.38 33.47 3h9s s VAL 12 CO -0.07 0.39 0.88 -0.94 -3.33 0.00 0.00 175.10 172.04 3h9s s SER 13 N 0.61 6.50 -0.48 3.54 1.04 -0.63 -1.06 113.70 123.22 3h9s s SER 13 Ca -0.15 1.31 0.05 0.00 0.48 0.00 0.00 55.95 57.64 3h9s s SER 13 Cb -0.16 -2.40 0.20 0.00 0.10 0.00 0.00 66.02 63.76 3h9s s SER 13 CO 0.05 -0.54 0.46 0.54 0.98 0.00 0.00 173.24 174.72 3h9s n ARG 14 N -1.66 0.84 -1.64 4.02 1.74 -1.26 -4.25 116.66 114.45 3h9s n ARG 14 Ca 0.04 -3.56 -0.44 0.00 -0.77 0.00 0.00 57.85 53.13 3h9s n ARG 14 Cb 0.54 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3h9s n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h9s n PRO 15 N 2.09 2.50 -1.01 5.56 -0.04 -1.26 -0.53 135.00 142.30 3h9s n PRO 15 Ca 0.26 0.87 -0.00 0.00 -0.04 0.00 0.00 63.50 64.59 3h9s n PRO 15 Cb 0.47 -2.98 -0.00 0.00 -0.04 0.00 0.00 33.50 30.94 3h9s n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h9s n GLY 16 N 4.87 0.47 1.22 0.55 0.00 -1.26 -4.82 105.19 106.21 3h9s n GLY 16 Ca 0.23 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.10 3h9s n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h9s n ARG 17 N -2.65 0.47 0.00 1.61 1.74 0.31 -5.14 116.66 113.00 3h9s n ARG 17 Ca -0.00 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 3h9s n ARG 17 Cb 0.06 -0.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 3h9s n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h9s n GLY 18 N 0.01 -0.24 3.78 -0.13 0.00 -1.02 -4.86 105.19 102.73 3h9s n GLY 18 Ca 0.10 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3h9s n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h9s s GLU 19 N 0.00 4.54 0.47 1.61 0.41 -1.26 -4.27 118.70 120.21 3h9s s GLU 19 Ca 0.00 1.40 -0.22 0.00 -0.41 0.00 0.00 54.97 55.74 3h9s s GLU 19 Cb 0.00 -2.82 -0.10 0.00 -1.78 0.00 0.00 34.13 29.44 3h9s s GLU 19 CO 0.00 0.23 0.86 -2.30 -0.49 0.00 0.00 175.26 173.56 3h9s n PRO 20 N 0.57 1.03 -2.17 0.39 -0.01 -1.26 -4.69 135.00 128.86 3h9s n PRO 20 Ca 0.02 0.38 -0.41 0.00 -0.01 0.00 0.00 63.50 63.48 3h9s n PRO 20 Cb 0.49 -1.93 -0.03 0.00 -0.01 0.00 0.00 33.50 32.03 3h9s n PRO 20 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 3h9s s ARG 21 N -2.08 4.39 -0.06 -0.52 6.06 -0.22 -4.85 118.95 121.65 3h9s s ARG 21 Ca 0.66 2.13 0.02 0.00 -2.50 0.00 0.00 55.73 56.04 3h9s s ARG 21 Cb -0.53 -3.13 0.02 0.00 0.06 0.00 0.00 34.95 31.37 3h9s s ARG 21 CO 0.55 -0.19 -0.11 0.12 -2.50 0.00 0.00 175.30 173.17 3h9s s PHE 22 N -0.60 1.35 -0.04 5.12 5.36 -1.26 -1.16 117.98 126.74 3h9s s PHE 22 Ca 0.52 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 3h9s s PHE 22 Cb -0.38 -1.02 0.03 0.00 -0.34 0.00 0.00 43.02 41.31 3h9s s PHE 22 CO 0.46 -0.28 -0.01 0.42 -1.46 0.00 0.00 175.22 174.35 3h9s s ILE 23 N 0.76 0.31 0.00 3.12 1.01 -0.48 -0.57 121.20 125.35 3h9s s ILE 23 Ca -0.13 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3h9s s ILE 23 Cb -0.15 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 3h9s s ILE 23 CO 0.02 0.20 -0.14 0.00 0.00 0.00 0.00 174.94 175.02 3h9s s ALA 24 N 1.26 1.17 -0.02 9.38 0.00 0.83 -0.84 121.76 133.55 3h9s s ALA 24 Ca -0.06 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3h9s s ALA 24 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3h9s s ALA 24 CO -0.02 0.27 -0.00 0.08 0.00 0.00 0.00 175.76 176.08 3h9s s VAL 25 N -0.47 0.13 -0.04 0.00 1.01 -0.58 -1.20 120.40 119.25 3h9s s VAL 25 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3h9s s VAL 25 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3h9s s VAL 25 CO -0.00 0.09 0.01 -0.83 0.00 0.00 0.00 175.10 174.37 3h9s s GLY 26 N 0.56 1.87 -0.01 4.51 0.00 -0.62 -1.40 107.32 112.23 3h9s s GLY 26 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3h9s s GLY 26 CO -0.01 -0.71 -0.09 -0.19 0.00 0.00 0.00 173.10 172.10 3h9s s TYR 27 N -1.00 0.83 -0.20 1.90 2.02 0.64 -0.99 117.35 120.55 3h9s s TYR 27 Ca 0.17 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3h9s s TYR 27 Cb -0.11 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3h9s s TYR 27 CO 0.07 -0.02 -0.11 0.08 -1.57 0.00 0.00 175.55 174.00 3h9s s VAL 28 N -0.18 2.90 0.00 0.71 1.01 0.07 -0.98 120.40 123.93 3h9s s VAL 28 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3h9s s VAL 28 Cb -0.04 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3h9s s VAL 28 CO -0.00 0.47 0.00 0.47 0.00 0.00 0.00 175.10 176.04 3h9s n ASP 29 N 4.59 0.00 -0.92 3.32 8.00 -0.30 -0.53 116.55 130.70 3h9s n ASP 29 Ca -0.19 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.39 3h9s n ASP 29 Cb 0.51 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.83 3h9s n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h9s n ASP 30 N 7.95 3.36 -4.52 -2.24 8.00 -1.26 -4.91 116.55 122.93 3h9s n ASP 30 Ca 0.00 -2.03 -0.36 0.00 0.71 0.00 0.00 54.79 53.10 3h9s n ASP 30 Cb 0.00 -0.34 -0.12 0.00 -0.02 0.00 0.00 41.12 40.65 3h9s n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h9s s THR 31 N -1.06 4.64 0.28 -3.53 2.01 0.31 -5.05 115.64 113.24 3h9s s THR 31 Ca 0.33 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 3h9s s THR 31 Cb 0.18 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 3h9s s THR 31 CO 0.22 0.35 1.00 -1.58 -0.69 0.00 0.00 174.62 173.92 3h9s s GLN 32 N 1.34 4.69 0.00 4.92 0.74 -1.26 -0.75 119.66 129.33 3h9s s GLN 32 Ca 0.06 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.02 3h9s s GLN 32 Cb -0.15 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3h9s s GLN 32 CO 0.05 0.33 0.00 1.97 -0.55 0.00 0.00 175.29 177.08 3h9s n PHE 33 N 1.10 0.00 -4.03 1.67 -1.74 -0.16 -4.36 117.46 109.94 3h9s n PHE 33 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 3h9s n PHE 33 Cb 0.47 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.37 3h9s n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3h9s s VAL 34 N -1.42 0.19 0.03 1.97 -7.23 -1.25 -0.03 120.40 112.67 3h9s s VAL 34 Ca 0.00 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 3h9s s VAL 34 Cb 0.00 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.67 3h9s s VAL 34 CO 0.00 -0.86 0.31 0.00 -0.31 0.00 0.00 175.10 174.23 3h9s s ARG 35 N -3.50 0.78 -0.01 4.82 1.04 -0.69 -1.59 118.95 119.80 3h9s s ARG 35 Ca 0.03 -0.43 0.00 0.00 -1.04 0.00 0.00 55.73 54.29 3h9s s ARG 35 Cb 0.05 0.34 0.01 0.00 -2.04 0.00 0.00 34.95 33.31 3h9s s ARG 35 CO -0.09 -0.24 0.01 0.12 -0.04 0.00 0.00 175.30 175.06 3h9s s PHE 36 N -2.28 0.06 -0.07 5.89 5.36 -0.34 -1.12 117.98 125.47 3h9s s PHE 36 Ca -0.07 0.05 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 3h9s s PHE 36 Cb -0.02 -0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.54 3h9s s PHE 36 CO -0.02 -0.05 -0.07 0.34 -1.46 0.00 0.00 175.22 173.97 3h9s s ASP 37 N 0.52 1.56 0.52 6.13 -1.08 -1.26 -0.12 116.67 122.94 3h9s s ASP 37 Ca -0.04 -0.21 0.35 0.00 -0.52 0.00 0.00 52.55 52.12 3h9s s ASP 37 Cb -0.06 -0.65 1.73 0.00 -1.46 0.00 0.00 42.92 42.47 3h9s s ASP 37 CO -0.01 -0.06 2.05 0.77 0.52 0.00 0.00 175.17 178.44 3h9s h SER 38 N 7.50 0.00 0.71 -0.34 4.64 -1.23 -2.21 113.55 122.61 3h9s h SER 38 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3h9s h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3h9s h SER 38 CO 0.43 0.00 -1.18 0.47 -0.87 0.00 0.00 176.83 175.68 3h9s n ASP 39 N -2.83 0.64 -4.55 4.97 9.92 -1.26 -4.95 116.55 118.49 3h9s n ASP 39 Ca -0.01 0.17 -0.29 0.00 -0.53 0.00 0.00 54.79 54.13 3h9s n ASP 39 Cb 0.15 0.79 0.20 0.00 -0.64 0.00 0.00 41.12 41.62 3h9s n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h9s s ALA 40 N -3.36 0.52 0.05 2.24 0.00 -0.83 -4.99 121.76 115.40 3h9s s ALA 40 Ca -0.01 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 3h9s s ALA 40 Cb 0.11 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.95 3h9s s ALA 40 CO 0.81 -3.19 1.50 0.00 0.00 0.00 0.00 175.76 174.88 3h9s h ALA 41 N -2.17 -0.48 -0.31 0.00 0.00 -1.94 -3.38 119.26 110.99 3h9s h ALA 41 Ca -0.56 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 3h9s h ALA 41 Cb 1.33 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3h9s h ALA 41 CO 0.54 -0.70 -0.39 0.66 0.00 0.00 0.00 179.25 179.36 3h9s h SER 42 N -0.62 0.78 -2.05 0.00 4.64 -1.94 -3.46 113.55 110.89 3h9s h SER 42 Ca -0.05 -0.35 -0.26 0.00 -0.47 0.00 0.00 61.79 60.66 3h9s h SER 42 Cb 0.45 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3h9s h SER 42 CO 0.08 1.08 -0.34 1.67 -0.87 0.00 0.00 176.83 178.44 3h9s n GLN 43 N -4.04 -1.38 -4.33 4.77 -0.06 -1.26 -5.02 117.38 106.06 3h9s n GLN 43 Ca -0.02 0.62 -0.18 0.00 -2.00 0.00 0.00 57.00 55.43 3h9s n GLN 43 Cb 0.53 -4.84 -0.10 0.00 -4.06 0.00 0.00 30.24 21.77 3h9s n GLN 43 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3h9s s ARG 44 N -4.75 1.28 0.31 3.69 0.52 -1.26 -5.04 118.95 113.70 3h9s s ARG 44 Ca 0.03 -1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 53.39 3h9s s ARG 44 Cb -0.01 -1.05 -0.10 0.00 0.52 0.00 0.00 34.95 34.31 3h9s s ARG 44 CO 0.04 0.17 1.24 1.41 0.02 0.00 0.00 175.30 178.18 3h9s s MET 45 N -3.63 4.45 0.04 3.54 -2.45 -1.26 -4.71 119.30 115.27 3h9s s MET 45 Ca 0.21 2.08 0.05 0.00 -1.25 0.00 0.00 55.69 56.79 3h9s s MET 45 Cb -0.00 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.94 3h9s s MET 45 CO 0.06 -0.06 -0.16 -1.21 1.05 0.00 0.00 175.02 174.70 3h9s s GLU 46 N -1.67 1.06 0.44 4.11 2.02 -0.28 -4.89 118.70 119.49 3h9s s GLU 46 Ca 0.47 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 54.45 3h9s s GLU 46 Cb -0.37 -1.10 -0.09 0.00 0.10 0.00 0.00 34.13 32.67 3h9s s GLU 46 CO 0.49 0.28 1.05 -1.25 0.02 0.00 0.00 175.26 175.85 3h9s s PRO 47 N -1.11 3.99 0.00 0.39 0.04 -1.26 -1.71 135.00 135.34 3h9s s PRO 47 Ca 0.03 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.74 3h9s s PRO 47 Cb -0.08 -2.35 0.33 0.00 0.04 0.00 0.00 34.50 32.44 3h9s s PRO 47 CO 0.01 -0.29 1.12 0.54 0.04 0.00 0.00 177.00 178.43 3h9s n ARG 48 N -0.47 0.00 -3.63 4.56 5.12 0.96 -4.83 116.66 118.37 3h9s n ARG 48 Ca 0.07 -1.75 -0.15 0.00 -1.93 0.00 0.00 57.85 54.10 3h9s n ARG 48 Cb 0.51 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.74 3h9s n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h9s s ALA 49 N 0.00 -1.68 0.26 7.54 0.00 -1.23 -4.29 121.76 122.37 3h9s s ALA 49 Ca 0.26 1.80 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 3h9s s ALA 49 Cb 0.30 -0.92 0.50 0.00 0.00 0.00 0.00 23.12 22.99 3h9s s ALA 49 CO -0.13 -0.33 1.79 -1.35 0.00 0.00 0.00 175.76 175.74 3h9s h PRO 50 N 4.72 0.71 -0.01 0.00 0.11 -1.95 -3.13 132.00 132.46 3h9s h PRO 50 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3h9s h PRO 50 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3h9s h PRO 50 CO 0.13 0.47 0.00 -2.67 -0.21 0.00 0.00 178.00 175.72 3h9s n TRP 51 N -4.79 0.01 0.16 0.65 4.27 -1.26 -2.82 117.44 113.65 3h9s n TRP 51 Ca 0.16 -0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.79 3h9s n TRP 51 Cb 0.38 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.32 3h9s n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3h9s n ILE 52 N -0.76 0.00 0.28 -1.67 0.00 -1.18 -4.42 119.36 111.61 3h9s n ILE 52 Ca 0.14 -0.46 0.17 0.00 0.00 0.00 0.00 62.75 62.60 3h9s n ILE 52 Cb 0.07 1.04 0.69 0.00 0.00 0.00 0.00 39.64 41.44 3h9s n ILE 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3h9s h GLU 53 N 0.38 0.00 0.00 9.51 5.08 -1.65 -2.78 114.58 125.12 3h9s h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h9s h GLU 53 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h9s h GLU 53 CO 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3h9s n GLN 54 N -3.11 0.17 -2.23 2.33 10.64 -1.26 -4.73 117.38 119.18 3h9s n GLN 54 Ca 0.00 0.08 -0.41 0.00 -1.83 0.00 0.00 57.00 54.85 3h9s n GLN 54 Cb 0.31 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 3h9s n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3h9s s GLU 55 N -2.79 4.45 1.10 2.61 0.41 -1.05 -5.02 118.70 118.40 3h9s s GLU 55 Ca 0.17 2.09 -0.18 0.00 -0.41 0.00 0.00 54.97 56.63 3h9s s GLU 55 Cb 0.16 -3.11 0.25 0.00 -1.78 0.00 0.00 34.13 29.65 3h9s s GLU 55 CO 0.40 -0.06 1.23 0.20 -0.49 0.00 0.00 175.26 176.53 3h9s s GLY 56 N -0.61 1.70 0.38 -1.39 0.00 -1.26 -4.86 107.32 101.28 3h9s s GLY 56 Ca 0.47 -1.15 0.10 0.00 0.00 0.00 0.00 44.72 44.15 3h9s s GLY 56 CO 0.49 -0.29 1.92 -2.55 0.00 0.00 0.00 173.10 172.67 3h9s h PRO 57 N -2.17 0.59 -0.04 2.90 0.11 -1.96 -2.19 132.00 129.25 3h9s h PRO 57 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3h9s h PRO 57 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3h9s h PRO 57 CO 0.33 0.39 -0.56 1.05 -0.21 0.00 0.00 178.00 179.00 3h9s h GLU 58 N 0.61 0.11 0.18 1.05 9.09 -1.98 0.24 114.58 123.88 3h9s h GLU 58 Ca 0.37 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.70 3h9s h GLU 58 Cb 0.61 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 3h9s h GLU 58 CO -0.14 0.64 -0.09 -0.92 0.05 0.00 0.00 179.01 178.56 3h9s h TYR 59 N 0.08 -0.22 -0.37 2.06 5.03 -1.74 0.42 116.97 122.23 3h9s h TYR 59 Ca -0.00 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.14 3h9s h TYR 59 Cb 1.02 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.37 3h9s h TYR 59 CO 0.01 -0.07 -0.39 -1.49 -1.32 0.00 0.00 178.16 174.90 3h9s h TRP 60 N -0.32 1.08 -0.50 -3.82 4.06 -1.34 0.27 115.95 115.38 3h9s h TRP 60 Ca -0.02 -0.32 -0.04 0.00 2.06 0.00 0.00 58.89 60.57 3h9s h TRP 60 Cb 0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3h9s h TRP 60 CO -0.04 1.14 0.16 -0.44 -3.56 0.00 0.00 178.44 175.70 3h9s h ASP 61 N 0.74 0.68 0.73 -3.49 3.32 -0.56 -1.33 116.42 116.50 3h9s h ASP 61 Ca 0.06 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3h9s h ASP 61 Cb 0.98 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.36 3h9s h ASP 61 CO 0.09 0.64 -0.35 1.23 -1.72 0.00 0.00 179.24 179.14 3h9s h GLY 62 N 0.90 -1.02 0.85 2.75 0.00 -0.04 -1.73 103.07 104.78 3h9s h GLY 62 Ca 0.17 0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.95 3h9s h GLY 62 CO -0.01 -0.37 0.57 0.83 0.00 0.00 0.00 176.54 177.56 3h9s h GLU 63 N -1.19 0.94 0.01 4.80 4.39 -0.49 -0.67 114.58 122.37 3h9s h GLU 63 Ca -0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3h9s h GLU 63 Cb 0.77 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3h9s h GLU 63 CO 0.16 0.62 -0.00 1.15 -1.16 0.00 0.00 179.01 179.78 3h9s h THR 64 N 0.97 1.10 -0.49 1.13 2.02 -1.27 -0.58 112.91 115.79 3h9s h THR 64 Ca 0.38 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3h9s h THR 64 Cb 0.24 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3h9s h THR 64 CO -0.15 0.08 0.26 -0.09 0.37 0.00 0.00 175.52 176.00 3h9s h ARG 65 N -0.15 0.49 -0.22 6.66 2.43 -0.66 -1.22 114.38 121.71 3h9s h ARG 65 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3h9s h ARG 65 Cb 0.15 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h9s h ARG 65 CO 0.00 0.33 -0.22 0.87 -1.51 0.00 0.00 179.97 179.44 3h9s h LYS 66 N 0.51 0.39 0.00 0.20 6.56 -1.01 -1.12 116.57 122.10 3h9s h LYS 66 Ca 0.21 -0.13 -0.21 0.00 -1.06 0.00 0.00 60.65 59.47 3h9s h LYS 66 Cb 0.11 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 3h9s h LYS 66 CO -0.14 0.59 -0.98 -0.24 -2.06 0.00 0.00 179.45 176.62 3h9s h VAL 67 N 0.35 1.65 -0.68 0.50 3.04 -0.84 -0.58 116.25 119.68 3h9s h VAL 67 Ca 0.06 -3.34 -0.05 0.00 -1.01 0.00 0.00 66.70 62.36 3h9s h VAL 67 Cb 0.59 2.81 -0.03 0.00 -2.01 0.00 0.00 31.29 32.65 3h9s h VAL 67 CO 0.04 0.94 0.22 0.11 -1.01 0.00 0.00 177.57 177.87 3h9s h LYS 68 N 0.00 1.04 -0.29 4.17 1.57 -1.03 -0.11 116.57 121.91 3h9s h LYS 68 Ca -0.02 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3h9s h LYS 68 Cb 1.75 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 3h9s h LYS 68 CO 0.13 0.88 0.17 0.00 -0.57 0.00 0.00 179.45 180.06 3h9s h ALA 69 N 1.23 0.37 -0.60 3.86 0.00 -1.00 -2.55 119.26 120.58 3h9s h ALA 69 Ca 0.22 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3h9s h ALA 69 Cb 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3h9s h ALA 69 CO -0.01 -0.12 0.21 0.45 0.00 0.00 0.00 179.25 179.78 3h9s h HIS 70 N 0.37 0.37 -0.12 0.00 3.86 -0.50 -1.86 115.15 117.25 3h9s h HIS 70 Ca 0.10 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 3h9s h HIS 70 Cb 0.02 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 3h9s h HIS 70 CO -0.04 0.08 -0.14 1.03 0.86 0.00 0.00 177.93 179.72 3h9s h SER 71 N 0.38 -0.43 -0.61 2.45 0.87 -0.91 -1.85 113.55 113.45 3h9s h SER 71 Ca 0.31 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 61.00 3h9s h SER 71 Cb 0.39 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 3h9s h SER 71 CO -0.32 -0.18 0.40 1.56 -0.53 0.00 0.00 176.83 177.77 3h9s h GLN 72 N -0.17 0.63 -0.10 2.24 1.08 -1.05 -0.83 115.11 116.91 3h9s h GLN 72 Ca 0.09 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 57.07 3h9s h GLN 72 Cb 0.30 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3h9s h GLN 72 CO -0.22 0.42 -0.65 0.00 -0.95 0.00 0.00 178.83 177.42 3h9s h THR 73 N 0.65 1.33 -0.92 -0.54 1.03 -0.55 -3.03 112.91 110.88 3h9s h THR 73 Ca 0.26 -1.94 0.19 0.00 -0.01 0.00 0.00 66.41 64.91 3h9s h THR 73 Cb 0.20 2.18 -0.07 0.00 -1.07 0.00 0.00 68.15 69.38 3h9s h THR 73 CO -0.07 0.59 0.60 0.45 -0.01 0.00 0.00 175.52 177.07 3h9s h HIS 74 N 0.26 0.70 -0.51 0.00 3.86 -1.17 0.21 115.15 118.49 3h9s h HIS 74 Ca -0.05 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3h9s h HIS 74 Cb 1.30 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 3h9s h HIS 74 CO 0.11 0.20 0.33 -0.09 0.86 0.00 0.00 177.93 179.34 3h9s h ARG 75 N 0.54 0.66 0.00 2.45 2.43 -1.11 -1.41 114.38 117.94 3h9s h ARG 75 Ca 0.49 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.39 3h9s h ARG 75 Cb 1.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3h9s h ARG 75 CO -0.22 0.44 -0.94 0.28 -1.51 0.00 0.00 179.97 178.01 3h9s h VAL 76 N 0.68 1.41 -0.29 0.20 2.07 -1.14 -2.90 116.25 116.27 3h9s h VAL 76 Ca 0.19 -2.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 3h9s h VAL 76 Cb -0.06 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3h9s h VAL 76 CO -0.05 0.74 0.11 0.44 0.02 0.00 0.00 177.57 178.83 3h9s h ASP 77 N 0.22 0.36 -0.31 0.57 3.32 -0.44 -0.43 116.42 119.70 3h9s h ASP 77 Ca -0.08 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3h9s h ASP 77 Cb 1.58 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 3h9s h ASP 77 CO 0.16 0.34 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.79 3h9s h LEU 78 N 0.41 0.68 -1.20 1.55 3.38 -1.05 -1.57 115.31 117.51 3h9s h LEU 78 Ca 0.10 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3h9s h LEU 78 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h9s h LEU 78 CO -0.01 0.94 -0.39 1.23 0.09 0.00 0.00 178.44 180.30 3h9s h GLY 79 N 0.42 0.02 0.73 0.83 0.00 -1.44 -1.18 103.07 102.46 3h9s h GLY 79 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3h9s h GLY 79 CO 0.05 0.02 -0.24 -0.84 0.00 0.00 0.00 176.54 175.53 3h9s h THR 80 N 0.02 1.38 -0.17 4.70 2.02 -0.88 -2.24 112.91 117.73 3h9s h THR 80 Ca -0.00 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.53 3h9s h THR 80 Cb 0.70 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 3h9s h THR 80 CO 0.05 0.44 -0.44 -0.07 0.37 0.00 0.00 175.52 175.88 3h9s h LEU 81 N -0.05 0.44 -0.93 2.58 3.38 -1.22 0.34 115.31 119.84 3h9s h LEU 81 Ca 0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3h9s h LEU 81 Cb 0.83 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3h9s h LEU 81 CO 0.05 0.82 0.01 -0.09 0.09 0.00 0.00 178.44 179.32 3h9s h ARG 82 N 0.34 0.79 -0.23 1.13 2.43 -1.25 -0.55 114.38 117.04 3h9s h ARG 82 Ca 0.03 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.88 3h9s h ARG 82 Cb 0.90 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3h9s h ARG 82 CO 0.08 0.79 -0.32 0.78 -1.51 0.00 0.00 179.97 179.79 3h9s h GLY 83 N 0.97 0.50 1.76 2.80 0.00 -0.72 -1.68 103.07 106.70 3h9s h GLY 83 Ca 0.15 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 3h9s h GLY 83 CO 0.02 0.40 -0.62 -0.97 0.00 0.00 0.00 176.54 175.37 3h9s h TYR 84 N 0.40 0.32 -0.01 5.60 0.05 0.11 -3.10 116.97 120.34 3h9s h TYR 84 Ca 0.05 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3h9s h TYR 84 Cb 0.76 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.44 3h9s h TYR 84 CO 0.02 0.80 -0.23 0.66 -1.05 0.00 0.00 178.16 178.37 3h9s n TYR 85 N -3.86 0.00 -3.20 4.88 4.01 -0.52 -4.95 117.16 113.53 3h9s n TYR 85 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 3h9s n TYR 85 Cb 0.63 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.71 3h9s n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h9s n ASN 86 N 0.17 -5.91 -4.85 7.72 5.15 -0.70 -4.98 115.26 111.86 3h9s n ASN 86 Ca 0.07 -0.36 -0.32 0.00 -0.60 0.00 0.00 54.58 53.37 3h9s n ASN 86 Cb 0.35 -4.65 -0.05 0.00 -0.53 0.00 0.00 39.78 34.90 3h9s n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3h9s s GLN 87 N -5.87 3.99 0.61 1.20 -0.21 -0.82 -5.02 119.66 113.55 3h9s s GLN 87 Ca 0.39 0.83 -0.17 0.00 0.02 0.00 0.00 55.36 56.43 3h9s s GLN 87 Cb -0.17 -2.26 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 3h9s s GLN 87 CO 0.49 -0.07 1.14 -1.54 -2.12 0.00 0.00 175.29 173.18 3h9s s SER 88 N -2.71 5.25 0.00 5.90 1.04 -1.26 -4.79 113.70 117.13 3h9s s SER 88 Ca 0.57 2.15 0.00 0.00 0.48 0.00 0.00 55.95 59.15 3h9s s SER 88 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3h9s s SER 88 CO 0.24 -1.54 0.84 -0.62 0.98 0.00 0.00 173.24 173.14 3h9s n GLU 89 N -1.93 0.00 -0.53 4.02 1.02 -1.26 -3.68 120.64 118.28 3h9s n GLU 89 Ca 0.12 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.65 3h9s n GLU 89 Cb 0.51 -1.53 0.20 0.00 -0.02 0.00 0.00 31.44 30.60 3h9s n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h9s n ALA 90 N -1.34 3.47 -2.67 0.62 0.00 -1.26 -4.74 120.51 114.58 3h9s n ALA 90 Ca 0.00 -2.98 -0.19 0.00 0.00 0.00 0.00 53.44 50.26 3h9s n ALA 90 Cb 0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 3h9s n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h9s s GLY 91 N -2.79 0.91 -0.08 0.00 0.00 -1.24 -4.95 107.32 99.17 3h9s s GLY 91 Ca 0.39 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 3h9s s GLY 91 CO -0.01 -1.02 0.80 -0.45 0.00 0.00 0.00 173.10 172.43 3h9s s SER 92 N -1.65 7.07 0.21 1.64 0.15 -1.26 -4.63 113.70 115.22 3h9s s SER 92 Ca -0.00 1.30 0.10 0.00 0.70 0.00 0.00 55.95 58.05 3h9s s SER 92 Cb -0.10 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3h9s s SER 92 CO 0.02 -0.23 -0.20 -1.00 1.20 0.00 0.00 173.24 173.03 3h9s s HIS 93 N 1.23 2.10 -0.05 3.44 3.76 -1.26 -4.92 115.29 119.60 3h9s s HIS 93 Ca 0.41 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.97 3h9s s HIS 93 Cb -0.18 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.50 3h9s s HIS 93 CO 0.19 0.49 -0.20 0.99 -0.85 0.00 0.00 174.74 175.35 3h9s s THR 94 N -2.10 1.68 -0.10 1.30 2.01 -1.26 -1.60 115.64 115.56 3h9s s THR 94 Ca 0.22 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.39 3h9s s THR 94 Cb -0.06 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3h9s s THR 94 CO 0.10 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 3h9s s VAL 95 N -0.07 2.01 -0.00 3.82 1.01 0.41 0.24 120.40 127.81 3h9s s VAL 95 Ca -0.03 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.04 3h9s s VAL 95 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3h9s s VAL 95 CO 0.03 0.55 -0.25 -1.10 0.00 0.00 0.00 175.10 174.33 3h9s s GLN 96 N 0.43 1.92 -0.00 2.72 -0.21 -0.03 -0.05 119.66 124.43 3h9s s GLN 96 Ca -0.17 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 54.31 3h9s s GLN 96 Cb -0.18 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 3h9s s GLN 96 CO 0.07 0.52 -0.06 0.50 -2.12 0.00 0.00 175.29 174.20 3h9s s ARG 97 N -0.73 0.49 -0.09 2.91 3.52 -0.12 -0.53 118.95 124.41 3h9s s ARG 97 Ca 0.10 -0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.41 3h9s s ARG 97 Cb -0.09 -0.47 0.05 0.00 -1.56 0.00 0.00 34.95 32.88 3h9s s ARG 97 CO -0.00 0.13 0.20 1.41 -0.81 0.00 0.00 175.30 176.22 3h9s s MET 98 N -0.23 0.13 0.21 5.12 -2.45 -0.36 0.07 119.30 121.79 3h9s s MET 98 Ca 0.02 0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 54.94 3h9s s MET 98 Cb -0.03 -0.16 -0.04 0.00 1.25 0.00 0.00 34.83 35.86 3h9s s MET 98 CO -0.00 -0.20 0.16 1.52 1.05 0.00 0.00 175.02 177.55 3h9s s TYR 99 N 1.52 1.12 -5.00 4.11 -0.85 -0.94 0.09 117.35 117.40 3h9s s TYR 99 Ca -0.06 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.14 3h9s s TYR 99 Cb -0.11 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.71 3h9s s TYR 99 CO -0.07 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 3h9s n GLY 100 N -0.29 -0.42 3.15 5.49 0.00 -1.02 -1.05 105.19 111.05 3h9s n GLY 100 Ca 0.02 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 3h9s n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h9s s ASP 102 N -1.69 4.93 0.30 0.00 1.01 0.55 -2.12 116.67 119.65 3h9s s ASP 102 Ca -0.10 -0.01 0.10 0.00 0.71 0.00 0.00 52.55 53.25 3h9s s ASP 102 Cb -0.04 -1.55 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 3h9s s ASP 102 CO -0.00 0.28 -0.05 0.68 0.21 0.00 0.00 175.17 176.28 3h9s s VAL 103 N -0.29 2.89 0.00 -1.27 -7.23 -0.37 -0.99 120.40 113.13 3h9s s VAL 103 Ca 0.05 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3h9s s VAL 103 Cb -0.12 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3h9s s VAL 103 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 3h9s n GLY 104 N -0.84 0.42 0.00 2.32 0.00 -0.87 -1.63 105.19 104.60 3h9s n GLY 104 Ca -0.05 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.23 3h9s n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h9s n SER 105 N -2.12 0.00 -0.25 1.61 3.41 -1.25 -1.55 113.62 113.47 3h9s n SER 105 Ca 0.00 -0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3h9s n SER 105 Cb 0.00 -0.21 0.16 0.00 -0.26 0.00 0.00 64.21 63.89 3h9s n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h9s n ASP 106 N -1.21 1.26 -0.11 4.04 5.68 -1.26 -4.93 116.55 120.02 3h9s n ASP 106 Ca 0.15 -1.01 -0.01 0.00 -0.50 0.00 0.00 54.79 53.42 3h9s n ASP 106 Cb 0.19 0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.56 3h9s n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3h9s n TRP 107 N -0.72 0.00 -3.04 2.11 7.02 -0.60 -5.03 117.44 117.19 3h9s n TRP 107 Ca 0.09 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.25 3h9s n TRP 107 Cb 0.38 -0.72 -0.05 0.00 -2.42 0.00 0.00 31.31 28.51 3h9s n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3h9s s ARG 108 N -1.02 3.92 0.14 -0.99 0.52 -1.26 -4.78 118.95 115.48 3h9s s ARG 108 Ca 0.00 0.59 -0.34 0.00 -0.52 0.00 0.00 55.73 55.46 3h9s s ARG 108 Cb 0.00 -2.42 -0.16 0.00 0.52 0.00 0.00 34.95 32.89 3h9s s ARG 108 CO 0.00 0.09 1.13 0.34 0.02 0.00 0.00 175.30 176.88 3h9s n PHE 109 N -0.70 1.13 0.00 -0.53 7.35 -1.26 -2.05 117.46 121.40 3h9s n PHE 109 Ca 0.03 0.74 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 3h9s n PHE 109 Cb 0.53 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 38.12 3h9s n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3h9s n LEU 110 N 2.03 2.28 -3.64 -2.13 7.94 -0.16 -4.78 117.00 118.54 3h9s n LEU 110 Ca 0.16 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.97 3h9s n LEU 110 Cb 0.22 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.10 3h9s n LEU 110 CO 0.61 0.37 0.70 -0.60 -1.11 0.00 0.00 177.39 177.36 3h9s s ARG 111 N -1.94 0.52 0.15 1.96 3.52 -1.13 -5.00 118.95 117.04 3h9s s ARG 111 Ca 0.00 0.66 0.07 0.00 -0.13 0.00 0.00 55.73 56.32 3h9s s ARG 111 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3h9s s ARG 111 CO 0.00 -0.07 -0.15 0.20 -0.81 0.00 0.00 175.30 174.48 3h9s s GLY 112 N 0.40 1.21 0.11 8.12 0.00 -1.26 -0.33 107.32 115.57 3h9s s GLY 112 Ca 0.01 -1.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.07 3h9s s GLY 112 CO -0.07 -1.49 0.59 -2.52 0.00 0.00 0.00 173.10 169.61 3h9s s TYR 113 N -2.40 -0.52 -0.29 1.90 -0.85 -0.98 -4.86 117.35 109.34 3h9s s TYR 113 Ca 0.14 0.46 0.01 0.00 -0.52 0.00 0.00 57.07 57.16 3h9s s TYR 113 Cb -0.03 0.49 0.18 0.00 0.38 0.00 0.00 41.96 42.97 3h9s s TYR 113 CO 0.04 -0.77 0.55 -1.58 -1.52 0.00 0.00 175.55 172.27 3h9s s HIS 114 N -3.13 -1.51 0.07 -3.49 2.46 -1.26 -2.45 115.29 105.98 3h9s s HIS 114 Ca -0.02 1.27 0.04 0.00 0.47 0.00 0.00 55.06 56.83 3h9s s HIS 114 Cb -0.01 0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.75 3h9s s HIS 114 CO -0.07 -0.93 -0.03 -0.65 -2.47 0.00 0.00 174.74 170.59 3h9s s GLN 115 N 2.77 2.51 -0.00 2.88 -1.52 0.11 -1.98 119.66 124.44 3h9s s GLN 115 Ca 0.16 -0.82 0.01 0.00 -1.95 0.00 0.00 55.36 52.75 3h9s s GLN 115 Cb -0.13 -2.51 -0.00 0.00 -0.22 0.00 0.00 33.01 30.14 3h9s s GLN 115 CO -0.23 0.56 -0.02 -0.47 -0.25 0.00 0.00 175.29 174.88 3h9s s TYR 116 N -1.22 0.21 0.02 0.91 6.14 -0.67 -1.22 117.35 121.53 3h9s s TYR 116 Ca 0.23 -0.04 0.01 0.00 0.64 0.00 0.00 57.07 57.91 3h9s s TYR 116 Cb -0.11 -0.14 -0.01 0.00 0.42 0.00 0.00 41.96 42.11 3h9s s TYR 116 CO 0.15 -0.01 -0.04 0.00 0.64 0.00 0.00 175.55 176.29 3h9s s ALA 117 N -0.04 0.26 -0.14 3.97 0.00 0.31 -0.50 121.76 125.62 3h9s s ALA 117 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3h9s s ALA 117 Cb -0.01 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3h9s s ALA 117 CO -0.00 -0.04 -0.19 -0.47 0.00 0.00 0.00 175.76 175.06 3h9s s TYR 118 N -0.83 2.46 -1.46 0.00 5.04 -1.06 -0.85 117.35 120.65 3h9s s TYR 118 Ca -0.07 -1.27 -0.13 0.00 -2.44 0.00 0.00 57.07 53.16 3h9s s TYR 118 Cb -0.06 -1.71 0.09 0.00 0.35 0.00 0.00 41.96 40.63 3h9s s TYR 118 CO -0.00 -0.61 0.70 -0.25 -1.34 0.00 0.00 175.55 174.05 3h9s n ASP 119 N 4.25 -4.07 0.00 4.32 8.00 0.14 -2.84 116.55 126.35 3h9s n ASP 119 Ca -0.20 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3h9s n ASP 119 Cb 0.51 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 3h9s n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h9s n GLY 120 N -1.38 1.55 3.69 0.44 0.00 -1.26 -4.99 105.19 103.23 3h9s n GLY 120 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3h9s n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h9s s LYS 121 N -0.54 2.47 0.24 1.61 -2.85 -1.13 -5.08 119.74 114.46 3h9s s LYS 121 Ca 0.00 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 53.49 3h9s s LYS 121 Cb 0.00 -2.35 -0.13 0.00 -2.06 0.00 0.00 37.83 33.29 3h9s s LYS 121 CO 0.00 0.43 1.41 -0.25 0.10 0.00 0.00 175.35 177.03 3h9s n ASP 122 N -0.46 2.76 -0.01 0.03 8.00 -1.26 -2.57 116.55 123.03 3h9s n ASP 122 Ca -0.09 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.54 3h9s n ASP 122 Cb 0.56 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.23 3h9s n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h9s n TYR 123 N 1.89 0.00 -3.87 1.24 9.36 0.35 -4.69 117.16 121.43 3h9s n TYR 123 Ca 0.11 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.22 3h9s n TYR 123 Cb 0.31 -0.08 -0.13 0.00 -0.63 0.00 0.00 39.34 38.81 3h9s n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3h9s s ILE 124 N -1.51 0.02 0.06 2.97 2.07 -1.17 -1.61 121.20 122.03 3h9s s ILE 124 Ca -0.05 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 3h9s s ILE 124 Cb 0.01 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.45 3h9s s ILE 124 CO 0.07 -0.09 -0.05 0.00 -1.91 0.00 0.00 174.94 172.96 3h9s s ALA 125 N -0.26 0.59 -0.18 1.50 0.00 -0.35 -1.66 121.76 121.40 3h9s s ALA 125 Ca -0.03 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 3h9s s ALA 125 Cb -0.02 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3h9s s ALA 125 CO -0.00 -0.19 0.61 -1.17 0.00 0.00 0.00 175.76 175.01 3h9s s LEU 126 N -2.28 4.17 1.07 0.00 2.96 -0.84 -1.01 118.68 122.76 3h9s s LEU 126 Ca -0.01 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 54.62 3h9s s LEU 126 Cb -0.02 -2.86 0.23 0.00 0.50 0.00 0.00 46.19 44.04 3h9s s LEU 126 CO -0.04 -0.22 1.06 -0.54 -1.32 0.00 0.00 176.35 175.30 3h9s s LYS 127 N 1.67 -0.15 0.41 1.98 1.02 0.04 -4.63 119.74 120.08 3h9s s LYS 127 Ca 0.28 0.93 0.11 0.00 0.02 0.00 0.00 55.97 57.31 3h9s s LYS 127 Cb -0.16 -1.64 0.86 0.00 -0.52 0.00 0.00 37.83 36.37 3h9s s LYS 127 CO 0.11 -3.23 1.96 0.93 -0.92 0.00 0.00 175.35 174.19 3h9s h GLU 128 N -2.27 0.21 0.00 1.68 4.39 -1.89 -2.36 114.58 114.34 3h9s h GLU 128 Ca -0.56 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.10 3h9s h GLU 128 Cb 1.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3h9s h GLU 128 CO 0.50 0.32 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 3h9s n ASP 129 N -4.32 0.30 -1.20 1.42 5.68 -1.26 -4.84 116.55 112.33 3h9s n ASP 129 Ca -0.01 0.56 -0.14 0.00 -0.50 0.00 0.00 54.79 54.70 3h9s n ASP 129 Cb 0.23 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.54 3h9s n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h9s n LEU 130 N -1.82 -1.18 -0.00 -2.12 4.77 -0.89 -4.81 117.00 110.95 3h9s n LEU 130 Ca 0.04 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3h9s n LEU 130 Cb 0.26 -2.09 -0.03 0.00 -2.33 0.00 0.00 43.42 39.23 3h9s n LEU 130 CO 0.20 -0.58 -0.55 0.54 -1.33 0.00 0.00 177.39 175.67 3h9s n ARG 131 N -2.53 0.67 -4.13 3.23 1.74 -1.26 -4.62 116.66 109.76 3h9s n ARG 131 Ca -0.15 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.77 3h9s n ARG 131 Cb 0.50 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.75 3h9s n ARG 131 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3h9s s SER 132 N -2.57 1.18 -0.07 0.55 0.15 -1.26 -4.87 113.70 106.80 3h9s s SER 132 Ca -0.01 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 55.96 3h9s s SER 132 Cb 0.02 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3h9s s SER 132 CO 0.15 -0.26 -0.23 0.26 1.20 0.00 0.00 173.24 174.35 3h9s s TRP 133 N -2.11 2.38 -0.31 3.44 0.52 -1.26 -0.78 118.94 120.83 3h9s s TRP 133 Ca -0.00 -0.83 -0.24 0.00 0.02 0.00 0.00 56.10 55.05 3h9s s TRP 133 Cb -0.05 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3h9s s TRP 133 CO -0.00 -0.30 0.79 0.99 0.02 0.00 0.00 176.95 178.45 3h9s s THR 134 N 0.09 4.79 -0.09 2.01 2.01 -0.18 -4.94 115.64 119.34 3h9s s THR 134 Ca -0.10 1.19 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 3h9s s THR 134 Cb -0.15 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3h9s s THR 134 CO 0.06 -0.25 0.03 0.00 -0.69 0.00 0.00 174.62 173.76 3h9s s ALA 135 N 2.97 3.39 -0.04 7.40 0.00 -1.26 -1.21 121.76 133.00 3h9s s ALA 135 Ca 0.33 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 3h9s s ALA 135 Cb -0.14 -1.55 -0.25 0.00 0.00 0.00 0.00 23.12 21.17 3h9s s ALA 135 CO 0.13 0.60 1.00 0.00 0.00 0.00 0.00 175.76 177.48 3h9s h ALA 136 N 5.07 0.02 -4.60 0.00 0.00 -1.58 -3.48 119.26 114.69 3h9s h ALA 136 Ca -0.51 -0.55 -0.42 0.00 0.00 0.00 0.00 54.91 53.43 3h9s h ALA 136 Cb 1.20 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3h9s h ALA 136 CO 0.55 0.22 -0.39 -0.40 0.00 0.00 0.00 179.25 179.24 3h9s n ASP 137 N -4.34 0.05 -0.22 0.00 5.75 -1.26 -5.04 116.55 111.47 3h9s n ASP 137 Ca -0.11 -2.81 0.25 0.00 -0.01 0.00 0.00 54.79 52.11 3h9s n ASP 137 Cb 0.62 1.19 0.62 0.00 -1.03 0.00 0.00 41.12 42.52 3h9s n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3h9s h MET 138 N 0.00 0.19 0.00 0.11 2.86 -2.01 -2.81 114.93 113.27 3h9s h MET 138 Ca -0.22 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.22 3h9s h MET 138 Cb 1.00 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 3h9s h MET 138 CO 0.33 0.13 -0.98 0.00 1.06 0.00 0.00 176.91 177.45 3h9s h ALA 139 N 1.58 0.47 0.00 6.32 0.00 -1.96 -3.12 119.26 122.55 3h9s h ALA 139 Ca 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3h9s h ALA 139 Cb 1.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3h9s h ALA 139 CO -0.11 1.14 0.00 0.00 0.00 0.00 0.00 179.25 180.28 3h9s h ALA 140 N 1.12 1.00 -0.83 0.00 0.00 -1.82 -3.11 119.26 115.62 3h9s h ALA 140 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h9s h ALA 140 Cb 1.70 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 3h9s h ALA 140 CO 0.11 0.00 0.55 0.37 0.00 0.00 0.00 179.25 180.28 3h9s h GLN 141 N 0.00 1.09 -0.61 0.00 5.75 -1.47 0.16 115.11 120.03 3h9s h GLN 141 Ca 0.00 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 3h9s h GLN 141 Cb 0.71 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3h9s h GLN 141 CO 0.00 0.72 0.12 1.15 -2.65 0.00 0.00 178.83 178.17 3h9s h THR 142 N 1.12 1.25 -0.51 2.39 2.02 -1.68 -1.02 112.91 116.48 3h9s h THR 142 Ca 0.30 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 3h9s h THR 142 Cb -0.13 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3h9s h THR 142 CO -0.07 0.35 -0.12 0.74 0.37 0.00 0.00 175.52 176.80 3h9s h THR 143 N 0.92 1.27 -0.12 3.16 2.02 -1.56 -2.09 112.91 116.51 3h9s h THR 143 Ca 0.19 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 3h9s h THR 143 Cb 0.37 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3h9s h THR 143 CO 0.01 0.44 0.07 0.50 0.37 0.00 0.00 175.52 176.91 3h9s h LYS 144 N 0.85 0.16 -0.12 6.66 3.64 -0.60 0.76 116.57 127.92 3h9s h LYS 144 Ca 0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3h9s h LYS 144 Cb 0.66 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3h9s h LYS 144 CO 0.05 0.15 0.04 1.25 -2.27 0.00 0.00 179.45 178.66 3h9s h HIS 145 N 0.13 0.06 -0.43 1.91 2.76 -1.18 0.27 115.15 118.68 3h9s h HIS 145 Ca 0.04 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3h9s h HIS 145 Cb 0.03 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 3h9s h HIS 145 CO -0.06 0.03 0.06 0.87 -1.30 0.00 0.00 177.93 177.54 3h9s h LYS 146 N 0.09 0.18 -0.00 5.26 1.57 -1.24 -2.17 116.57 120.26 3h9s h LYS 146 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3h9s h LYS 146 Cb 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3h9s h LYS 146 CO -0.06 0.12 -0.06 0.91 -0.57 0.00 0.00 179.45 179.79 3h9s n TRP 147 N -5.13 0.00 -1.21 -1.35 7.02 0.25 -2.84 117.44 114.18 3h9s n TRP 147 Ca 0.04 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.35 3h9s n TRP 147 Cb 0.21 -0.23 0.22 0.00 -2.42 0.00 0.00 31.31 29.08 3h9s n TRP 147 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3h9s n GLU 148 N -1.14 2.58 -2.16 -0.99 1.02 0.91 -4.78 120.64 116.07 3h9s n GLU 148 Ca 0.14 -3.05 -0.39 0.00 -0.02 0.00 0.00 57.16 53.84 3h9s n GLU 148 Cb 0.26 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.52 3h9s n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h9s s ALA 149 N -3.21 3.26 0.37 0.62 0.00 -1.13 -4.94 121.76 116.73 3h9s s ALA 149 Ca 0.55 1.13 0.15 0.00 0.00 0.00 0.00 51.96 53.79 3h9s s ALA 149 Cb 0.46 -3.44 1.01 0.00 0.00 0.00 0.00 23.12 21.15 3h9s s ALA 149 CO 0.10 -0.67 1.76 0.00 0.00 0.00 0.00 175.76 176.95 3h9s h ALA 150 N 2.82 2.05 0.00 0.00 0.00 -1.93 -2.87 119.26 119.33 3h9s h ALA 150 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h9s h ALA 150 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h9s h ALA 150 CO 0.63 -0.48 0.00 -2.39 0.00 0.00 0.00 179.25 177.01 3h9s n HIS 151 N -4.72 0.60 0.09 0.00 1.44 -1.26 -3.63 115.22 107.74 3h9s n HIS 151 Ca 0.26 0.20 -0.05 0.00 -2.01 0.00 0.00 57.72 56.12 3h9s n HIS 151 Cb 0.81 -0.82 0.12 0.00 0.12 0.00 0.00 29.99 30.22 3h9s n HIS 151 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3h9s h VAL 152 N 0.00 1.39 -0.76 0.61 2.07 -1.81 -3.24 116.25 114.51 3h9s h VAL 152 Ca 0.00 -1.99 0.10 0.00 0.82 0.00 0.00 66.70 65.63 3h9s h VAL 152 Cb 0.51 2.01 -0.12 0.00 -1.52 0.00 0.00 31.29 32.17 3h9s h VAL 152 CO 0.00 0.59 -0.48 0.00 0.02 0.00 0.00 177.57 177.69 3h9s h ALA 153 N 1.20 -0.35 -0.95 1.67 0.00 -1.80 0.33 119.26 119.35 3h9s h ALA 153 Ca -0.01 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.22 3h9s h ALA 153 Cb 1.11 1.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.92 3h9s h ALA 153 CO 0.09 -0.86 0.60 1.49 0.00 0.00 0.00 179.25 180.58 3h9s h GLU 154 N -0.14 0.60 0.07 0.00 4.81 -1.82 -3.07 114.58 115.02 3h9s h GLU 154 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3h9s h GLU 154 Cb 0.53 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h9s h GLU 154 CO -0.81 0.40 -0.03 1.96 -0.73 0.00 0.00 179.01 179.80 3h9s h GLN 155 N 0.62 -0.09 -0.65 1.92 1.08 -0.45 -1.69 115.11 115.86 3h9s h GLN 155 Ca 0.51 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.77 3h9s h GLN 155 Cb 0.97 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.34 3h9s h GLN 155 CO -0.26 0.17 -0.38 1.28 -0.95 0.00 0.00 178.83 178.69 3h9s n LEU 156 N -4.81 -0.68 -0.08 1.46 4.77 -0.94 -2.09 117.00 114.64 3h9s n LEU 156 Ca -0.04 1.17 -0.07 0.00 -0.03 0.00 0.00 56.01 57.04 3h9s n LEU 156 Cb 0.15 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3h9s n LEU 156 CO 0.11 -0.95 0.90 -0.09 -1.33 0.00 0.00 177.39 176.04 3h9s h ARG 157 N 0.00 0.18 -0.85 3.23 2.43 -1.58 -1.73 114.38 116.06 3h9s h ARG 157 Ca 0.10 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3h9s h ARG 157 Cb 0.26 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3h9s h ARG 157 CO -0.61 0.12 0.54 0.00 -1.51 0.00 0.00 179.97 178.50 3h9s h ALA 158 N 1.20 1.13 0.22 2.80 0.00 -0.83 0.15 119.26 123.94 3h9s h ALA 158 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h9s h ALA 158 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h9s h ALA 158 CO -0.16 0.33 -0.11 -0.92 0.00 0.00 0.00 179.25 178.39 3h9s h TYR 159 N 1.01 -0.28 -0.34 0.00 3.20 -1.17 -2.25 116.97 117.14 3h9s h TYR 159 Ca 0.35 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 3h9s h TYR 159 Cb 0.08 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3h9s h TYR 159 CO -0.03 -0.17 0.17 -0.07 -1.64 0.00 0.00 178.16 176.42 3h9s h LEU 160 N -0.91 0.45 -0.41 2.82 3.38 -1.30 0.66 115.31 120.01 3h9s h LEU 160 Ca -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3h9s h LEU 160 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3h9s h LEU 160 CO 0.05 0.45 -0.10 -0.62 0.09 0.00 0.00 178.44 178.31 3h9s n GLU 161 N -4.74 0.97 0.00 1.13 1.02 0.53 -4.09 120.64 115.46 3h9s n GLU 161 Ca -0.01 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 3h9s n GLU 161 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3h9s n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h9s n GLY 162 N 1.23 0.27 0.32 0.62 0.00 -1.12 -4.79 105.19 101.72 3h9s n GLY 162 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 3h9s n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h9s h THR 163 N 0.00 1.18 -0.15 2.61 2.02 -0.66 0.26 112.91 118.17 3h9s h THR 163 Ca 0.00 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3h9s h THR 163 Cb 0.00 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3h9s h THR 163 CO 0.00 0.20 0.02 0.00 0.37 0.00 0.00 175.52 176.11 3h9s h VAL 165 N 0.02 1.35 -0.21 0.00 -1.51 -1.53 -1.69 116.25 112.68 3h9s h VAL 165 Ca 0.04 -1.75 -0.00 0.00 -1.23 0.00 0.00 66.70 63.76 3h9s h VAL 165 Cb 0.32 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 3h9s h VAL 165 CO 0.00 0.52 0.12 -0.33 -1.23 0.00 0.00 177.57 176.66 3h9s h GLU 166 N 0.18 0.28 0.05 5.19 5.08 -0.31 -2.56 114.58 122.50 3h9s h GLU 166 Ca 0.01 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 3h9s h GLU 166 Cb 0.96 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3h9s h GLU 166 CO 0.08 0.24 -1.13 -1.49 -1.00 0.00 0.00 179.01 175.71 3h9s h TRP 167 N 0.25 0.20 -0.77 4.33 4.06 -1.14 -1.84 115.95 121.04 3h9s h TRP 167 Ca 0.07 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 60.89 3h9s h TRP 167 Cb 0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.15 3h9s h TRP 167 CO -0.05 1.12 0.50 1.25 -3.56 0.00 0.00 178.44 177.70 3h9s h LEU 168 N 0.03 0.89 -0.46 -4.49 5.85 -1.36 0.42 115.31 116.20 3h9s h LEU 168 Ca -0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3h9s h LEU 168 Cb 1.86 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3h9s h LEU 168 CO 0.16 0.66 0.26 0.03 -0.34 0.00 0.00 178.44 179.21 3h9s h ARG 169 N 1.05 0.63 -0.42 1.25 3.08 -1.35 -1.32 114.38 117.30 3h9s h ARG 169 Ca 0.28 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.29 3h9s h ARG 169 Cb -0.10 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 3h9s h ARG 169 CO -0.06 0.49 0.22 -0.09 -1.07 0.00 0.00 179.97 179.46 3h9s h ARG 170 N 0.61 0.42 -0.50 0.04 2.43 -0.77 -2.86 114.38 113.75 3h9s h ARG 170 Ca 0.16 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3h9s h ARG 170 Cb 0.03 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3h9s h ARG 170 CO -0.03 0.28 0.25 1.88 -1.51 0.00 0.00 179.97 180.84 3h9s h TYR 171 N 0.43 0.72 -0.03 2.20 0.05 -0.73 -1.15 116.97 118.46 3h9s h TYR 171 Ca 0.18 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 3h9s h TYR 171 Cb 0.08 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 3h9s h TYR 171 CO -0.10 0.56 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.42 3h9s h LEU 172 N 0.67 0.04 0.10 3.88 3.38 -1.08 -0.82 115.31 121.48 3h9s h LEU 172 Ca 0.17 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 3h9s h LEU 172 Cb 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h9s h LEU 172 CO -0.02 0.14 -1.26 1.05 0.09 0.00 0.00 178.44 178.44 3h9s h GLU 173 N 0.05 0.21 -0.33 1.13 4.11 -1.30 -3.25 114.58 115.20 3h9s h GLU 173 Ca 0.01 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.05 3h9s h GLU 173 Cb 0.18 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3h9s h GLU 173 CO 0.01 1.14 0.08 -0.91 0.07 0.00 0.00 179.01 179.40 3h9s h ASN 174 N 0.06 0.44 -2.13 3.06 2.35 -0.21 -3.17 115.58 115.98 3h9s h ASN 174 Ca -0.13 -0.06 -0.58 0.00 -0.55 0.00 0.00 56.30 54.98 3h9s h ASN 174 Cb 1.94 -0.11 -0.41 0.00 0.05 0.00 0.00 38.32 39.79 3h9s h ASN 174 CO 0.18 0.46 -0.79 0.61 -1.65 0.00 0.00 177.43 176.24 3h9s n GLY 175 N -1.09 4.24 0.23 2.83 0.00 -0.41 -4.85 105.19 106.14 3h9s n GLY 175 Ca 0.02 -2.35 -0.08 0.00 0.00 0.00 0.00 46.02 43.60 3h9s n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h9s h LYS 176 N 3.94 0.76 -0.95 1.61 2.10 -1.57 0.12 116.57 122.57 3h9s h LYS 176 Ca 0.15 -0.12 0.05 0.00 -2.00 0.00 0.00 60.65 58.72 3h9s h LYS 176 Cb 0.73 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.87 3h9s h LYS 176 CO 0.70 0.65 0.62 0.93 -2.00 0.00 0.00 179.45 180.35 3h9s h GLU 177 N 0.69 1.13 0.00 0.07 4.39 -1.90 -1.81 114.58 117.15 3h9s h GLU 177 Ca 0.17 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3h9s h GLU 177 Cb 0.16 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3h9s h GLU 177 CO -0.02 0.75 -0.02 1.15 -1.16 0.00 0.00 179.01 179.71 3h9s h THR 178 N 1.16 0.64 0.00 1.13 2.02 -1.91 -3.41 112.91 112.54 3h9s h THR 178 Ca 0.39 -1.49 -0.23 0.00 0.77 0.00 0.00 66.41 65.85 3h9s h THR 178 Cb 0.07 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3h9s h THR 178 CO -0.14 0.22 -1.47 -0.07 0.37 0.00 0.00 175.52 174.42 3h9s h LEU 179 N -1.00 0.00 -2.95 2.58 3.38 -0.79 -3.35 115.31 113.19 3h9s h LEU 179 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h9s h LEU 179 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3h9s h LEU 179 CO -0.00 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.37 3h9s n GLN 180 N -3.04 3.85 -3.50 1.13 6.02 -0.68 -4.91 117.38 116.25 3h9s n GLN 180 Ca -0.12 -2.56 -0.29 0.00 -0.01 0.00 0.00 57.00 54.03 3h9s n GLN 180 Cb 0.96 -1.99 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 3h9s n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3h9s s ARG 181 N -2.17 3.61 -0.10 -1.09 3.03 -1.26 -5.02 118.95 115.96 3h9s s ARG 181 Ca 0.45 -0.08 0.02 0.00 2.03 0.00 0.00 55.73 58.15 3h9s s ARG 181 Cb 0.32 -2.73 -0.01 0.00 -1.03 0.00 0.00 34.95 31.49 3h9s s ARG 181 CO 0.17 0.31 -0.17 -0.08 -1.13 0.00 0.00 175.30 174.41 3h9s s THR 182 N -1.93 2.76 -0.19 4.99 -1.32 -1.26 -4.71 115.64 113.98 3h9s s THR 182 Ca 0.42 -0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 60.10 3h9s s THR 182 Cb -0.11 -2.11 -0.00 0.00 -1.51 0.00 0.00 72.50 68.76 3h9s s THR 182 CO 0.28 0.55 -0.11 -1.81 -2.21 0.00 0.00 174.62 171.32 3h9s s ASP 183 N 0.09 3.88 0.26 8.08 1.01 -0.55 -4.94 116.67 124.50 3h9s s ASP 183 Ca -0.07 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.43 3h9s s ASP 183 Cb -0.15 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.06 3h9s s ASP 183 CO 0.05 0.03 1.03 0.00 0.21 0.00 0.00 175.17 176.49 3h9s s ALA 184 N 1.16 3.38 0.20 5.23 0.00 -1.26 -1.70 121.76 128.76 3h9s s ALA 184 Ca 0.01 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3h9s s ALA 184 Cb -0.14 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3h9s s ALA 184 CO -0.04 0.00 1.11 -2.14 0.00 0.00 0.00 175.76 174.69 3h9s s PRO 185 N -1.28 4.60 -0.41 0.00 0.02 -1.26 -4.45 135.00 132.21 3h9s s PRO 185 Ca 0.43 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 62.97 3h9s s PRO 185 Cb -0.29 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 30.99 3h9s s PRO 185 CO 0.37 0.09 0.73 0.15 -0.33 0.00 0.00 177.00 178.01 3h9s s LYS 186 N -0.57 3.52 0.41 5.54 1.02 0.11 -4.87 119.74 124.91 3h9s s LYS 186 Ca 0.49 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 3h9s s LYS 186 Cb -0.30 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.08 3h9s s LYS 186 CO 0.36 -0.96 0.68 0.95 -0.92 0.00 0.00 175.35 175.45 3h9s s THR 187 N 3.06 4.98 -0.30 2.17 -4.23 -1.26 -2.41 115.64 117.65 3h9s s THR 187 Ca 0.28 -0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.54 3h9s s THR 187 Cb -0.13 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.06 3h9s s THR 187 CO 0.19 -0.67 1.39 -2.28 -0.54 0.00 0.00 174.62 172.71 3h9s s HIS 188 N -2.50 -0.09 -0.04 3.99 5.04 -1.25 -5.03 115.29 115.41 3h9s s HIS 188 Ca 0.45 0.21 -0.01 0.00 -1.54 0.00 0.00 55.06 54.16 3h9s s HIS 188 Cb -0.10 0.41 0.03 0.00 0.04 0.00 0.00 32.58 32.96 3h9s s HIS 188 CO 0.39 -0.04 0.09 1.41 -2.34 0.00 0.00 174.74 174.25 3h9s s MET 189 N 0.21 0.03 -0.04 2.88 1.75 -1.26 -1.10 119.30 121.77 3h9s s MET 189 Ca 0.05 0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.81 3h9s s MET 189 Cb -0.05 -0.20 -0.01 0.00 2.84 0.00 0.00 34.83 37.41 3h9s s MET 189 CO -0.14 -0.16 -0.19 0.95 -0.65 0.00 0.00 175.02 174.82 3h9s s THR 190 N 1.08 1.59 -0.05 10.11 -4.23 -0.97 -5.04 115.64 118.13 3h9s s THR 190 Ca -0.09 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 3h9s s THR 190 Cb -0.12 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 3h9s s THR 190 CO -0.04 0.45 -0.20 -2.28 -0.54 0.00 0.00 174.62 172.01 3h9s s HIS 191 N -0.05 1.98 0.09 3.99 5.65 -1.26 -2.41 115.29 123.28 3h9s s HIS 191 Ca -0.03 -0.58 0.03 0.00 0.25 0.00 0.00 55.06 54.73 3h9s s HIS 191 Cb -0.12 -1.32 -0.04 0.00 -1.18 0.00 0.00 32.58 29.93 3h9s s HIS 191 CO 0.02 -0.19 -0.09 -1.01 -0.65 0.00 0.00 174.74 172.83 3h9s s HIS 192 N -0.03 0.95 0.35 3.88 3.76 -1.13 -5.03 115.29 118.03 3h9s s HIS 192 Ca -0.04 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 53.94 3h9s s HIS 192 Cb -0.12 -0.53 -0.10 0.00 1.11 0.00 0.00 32.58 32.94 3h9s s HIS 192 CO 0.03 -0.06 0.88 0.00 -0.85 0.00 0.00 174.74 174.74 3h9s s ALA 193 N -2.69 3.19 0.00 -1.40 0.00 -1.26 -2.17 121.76 117.42 3h9s s ALA 193 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3h9s s ALA 193 Cb -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3h9s s ALA 193 CO -0.01 0.20 0.03 1.33 0.00 0.00 0.00 175.76 177.30 3h9s n VAL 194 N -0.07 0.00 -1.61 0.00 0.24 -1.14 -4.87 118.33 110.87 3h9s n VAL 194 Ca 0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3h9s n VAL 194 Cb 0.52 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.29 3h9s n VAL 194 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3h9s n SER 195 N -0.06 0.00 0.00 -1.34 2.88 -1.23 -4.99 113.62 108.87 3h9s n SER 195 Ca 0.00 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 3h9s n SER 195 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3h9s n SER 195 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3h9s n ASP 196 N 0.00 0.00 0.00 -3.46 -0.08 -1.26 -4.44 116.55 107.31 3h9s n ASP 196 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3h9s n ASP 196 Cb 0.23 -2.24 0.00 0.00 2.34 0.00 0.00 41.12 41.45 3h9s n ASP 196 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3h9s n HIS 197 N -2.00 0.00 -4.19 -0.67 -0.00 -1.26 -5.07 115.22 102.03 3h9s n HIS 197 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 3h9s n HIS 197 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 3h9s n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3h9s s GLU 198 N -1.70 2.52 0.07 -0.41 0.41 -1.26 -3.47 118.70 114.85 3h9s s GLU 198 Ca 0.00 -0.83 0.10 0.00 -0.41 0.00 0.00 54.97 53.83 3h9s s GLU 198 Cb 0.00 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.80 3h9s s GLU 198 CO 0.00 0.55 -0.26 0.00 -0.49 0.00 0.00 175.26 175.06 3h9s s ALA 199 N -1.24 2.28 -0.26 5.21 0.00 -0.69 -2.91 121.76 124.14 3h9s s ALA 199 Ca 0.24 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3h9s s ALA 199 Cb -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3h9s s ALA 199 CO 0.16 0.53 0.14 0.99 0.00 0.00 0.00 175.76 177.58 3h9s s THR 200 N -0.87 4.99 -0.32 0.00 2.01 -0.92 -0.23 115.64 120.30 3h9s s THR 200 Ca 0.12 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 3h9s s THR 200 Cb -0.10 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3h9s s THR 200 CO 0.03 0.30 0.18 -0.76 -0.69 0.00 0.00 174.62 173.68 3h9s s LEU 201 N 1.54 4.23 -0.18 4.42 1.43 -0.85 -2.86 118.68 126.41 3h9s s LEU 201 Ca 0.07 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3h9s s LEU 201 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3h9s s LEU 201 CO 0.07 -0.19 -0.09 -0.60 0.23 0.00 0.00 176.35 175.77 3h9s s ARG 202 N 1.66 3.38 -0.10 1.70 3.52 -1.01 -1.65 118.95 126.45 3h9s s ARG 202 Ca 0.05 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 54.96 3h9s s ARG 202 Cb -0.17 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3h9s s ARG 202 CO 0.08 0.00 0.04 0.00 -0.81 0.00 0.00 175.30 174.61 3h9s s TRP 204 N -0.84 2.13 -0.20 0.00 0.52 -0.26 -2.30 118.94 118.00 3h9s s TRP 204 Ca 0.13 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 3h9s s TRP 204 Cb -0.12 -1.05 0.10 0.00 -1.15 0.00 0.00 33.47 31.26 3h9s s TRP 204 CO 0.03 0.46 0.27 0.00 0.02 0.00 0.00 176.95 177.72 3h9s s ALA 205 N -1.86 -0.54 0.19 0.98 0.00 -0.63 -3.75 121.76 116.14 3h9s s ALA 205 Ca 0.20 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.82 3h9s s ALA 205 Cb -0.07 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3h9s s ALA 205 CO 0.09 -1.11 -0.15 -0.51 0.00 0.00 0.00 175.76 174.08 3h9s s LEU 206 N 2.40 2.77 -1.01 0.00 1.43 -1.01 -1.39 118.68 121.87 3h9s s LEU 206 Ca 0.07 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3h9s s LEU 206 Cb -0.15 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 3h9s s LEU 206 CO -0.12 0.10 0.84 -1.20 0.23 0.00 0.00 176.35 176.20 3h9s n SER 207 N 0.04 -2.29 -4.49 2.29 7.64 -0.62 0.09 113.62 116.28 3h9s n SER 207 Ca -0.11 -0.53 -0.28 0.00 1.01 0.00 0.00 58.87 58.96 3h9s n SER 207 Cb 0.56 -4.42 -0.11 0.00 -1.01 0.00 0.00 64.21 59.23 3h9s n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3h9s s PHE 208 N -3.31 2.50 -0.08 1.43 -0.12 -0.99 -4.32 117.98 113.09 3h9s s PHE 208 Ca 0.03 -0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 56.57 3h9s s PHE 208 Cb -0.00 -1.27 0.03 0.00 -0.63 0.00 0.00 43.02 41.15 3h9s s PHE 208 CO 0.62 0.45 0.19 -0.47 -0.05 0.00 0.00 175.22 175.96 3h9s s TYR 209 N -1.45 -0.23 1.15 3.49 5.04 -0.69 -0.34 117.35 124.31 3h9s s TYR 209 Ca 0.21 0.57 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 3h9s s TYR 209 Cb -0.09 0.03 0.27 0.00 0.35 0.00 0.00 41.96 42.52 3h9s s TYR 209 CO 0.11 -0.15 1.20 -1.25 -1.34 0.00 0.00 175.55 174.12 3h9s s PRO 210 N 0.60 -0.81 0.47 4.97 0.04 -1.26 -1.49 135.00 137.52 3h9s s PRO 210 Ca -0.04 -0.28 0.26 0.00 0.04 0.00 0.00 61.00 60.98 3h9s s PRO 210 Cb -0.06 -1.66 0.99 0.00 0.04 0.00 0.00 34.50 33.81 3h9s s PRO 210 CO -0.03 -3.40 1.85 0.00 0.04 0.00 0.00 177.00 175.46 3h9s h ALA 211 N -2.35 1.01 -2.06 8.56 0.00 -1.97 -3.44 119.26 119.01 3h9s h ALA 211 Ca -0.43 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 3h9s h ALA 211 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3h9s h ALA 211 CO 0.31 0.21 1.13 -2.00 0.00 0.00 0.00 179.25 178.90 3h9s s GLU 212 N -3.63 3.83 0.02 0.00 2.56 -1.26 -4.95 118.70 115.28 3h9s s GLU 212 Ca 0.01 1.73 -0.09 0.00 0.00 0.00 0.00 54.97 56.62 3h9s s GLU 212 Cb 0.10 -4.03 0.01 0.00 2.00 0.00 0.00 34.13 32.20 3h9s s GLU 212 CO 0.62 -1.25 0.19 -1.50 -0.56 0.00 0.00 175.26 172.76 3h9s s ILE 213 N 5.10 0.09 -0.15 -3.70 2.07 -1.26 -4.57 121.20 118.77 3h9s s ILE 213 Ca 0.72 -0.77 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3h9s s ILE 213 Cb -0.26 -0.71 0.04 0.00 0.13 0.00 0.00 42.46 41.66 3h9s s ILE 213 CO 0.29 -0.42 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.96 3h9s s THR 214 N -1.99 1.02 -0.14 4.00 2.01 0.21 -4.99 115.64 115.76 3h9s s THR 214 Ca -0.10 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3h9s s THR 214 Cb -0.04 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 3h9s s THR 214 CO -0.01 0.15 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.23 3h9s s LEU 215 N 1.68 2.97 0.02 4.42 1.43 -1.26 -0.59 118.68 127.35 3h9s s LEU 215 Ca 0.01 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3h9s s LEU 215 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3h9s s LEU 215 CO -0.08 0.18 0.07 0.42 0.23 0.00 0.00 176.35 177.17 3h9s s THR 216 N 0.29 0.11 0.10 5.49 -4.23 -0.94 -5.01 115.64 111.45 3h9s s THR 216 Ca -0.07 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3h9s s THR 216 Cb -0.15 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 3h9s s THR 216 CO 0.04 -0.49 0.24 0.26 -0.54 0.00 0.00 174.62 174.14 3h9s s TRP 217 N -1.77 3.51 -0.28 3.99 0.52 -1.26 -2.24 118.94 121.41 3h9s s TRP 217 Ca -0.12 0.21 -0.21 0.00 0.02 0.00 0.00 56.10 55.99 3h9s s TRP 217 Cb -0.06 -1.73 0.08 0.00 -1.15 0.00 0.00 33.47 30.61 3h9s s TRP 217 CO -0.01 0.56 0.76 -1.14 0.02 0.00 0.00 176.95 177.13 3h9s s GLN 218 N -2.79 0.73 -0.45 4.98 0.74 -1.22 -0.35 119.66 121.30 3h9s s GLN 218 Ca 0.35 1.02 0.04 0.00 0.05 0.00 0.00 55.36 56.82 3h9s s GLN 218 Cb -0.12 0.27 0.12 0.00 1.10 0.00 0.00 33.01 34.38 3h9s s GLN 218 CO 0.28 -0.11 0.18 -0.98 -0.55 0.00 0.00 175.29 174.11 3h9s s ARG 219 N 0.90 1.76 -1.61 1.67 1.04 -0.65 -1.52 118.95 120.55 3h9s s ARG 219 Ca -0.04 -2.32 -0.04 0.00 -1.04 0.00 0.00 55.73 52.29 3h9s s ARG 219 Cb -0.05 -3.23 0.01 0.00 -2.04 0.00 0.00 34.95 29.64 3h9s s ARG 219 CO -0.09 -1.05 0.50 -3.47 -0.04 0.00 0.00 175.30 171.15 3h9s n ASP 220 N 3.55 -6.10 0.00 -2.89 -0.08 -1.20 -3.89 116.55 105.94 3h9s n ASP 220 Ca 0.05 -0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 3h9s n ASP 220 Cb 0.36 -4.95 0.00 0.00 2.34 0.00 0.00 41.12 38.86 3h9s n ASP 220 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3h9s n GLY 221 N -1.43 1.97 3.76 0.27 0.00 -1.26 -5.10 105.19 103.39 3h9s n GLY 221 Ca -0.14 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3h9s n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h9s s GLU 222 N 0.00 4.49 0.75 1.61 2.02 -1.25 -5.00 118.70 121.31 3h9s s GLU 222 Ca 0.00 1.80 -0.00 0.00 0.02 0.00 0.00 54.97 56.79 3h9s s GLU 222 Cb 0.00 -3.03 0.15 0.00 0.10 0.00 0.00 34.13 31.34 3h9s s GLU 222 CO 0.00 0.08 1.03 -0.40 0.02 0.00 0.00 175.26 175.98 3h9s n ASP 223 N 0.86 1.40 -3.81 -0.19 5.75 -1.26 -1.63 116.55 117.66 3h9s n ASP 223 Ca 0.00 -2.17 -0.13 0.00 -0.01 0.00 0.00 54.79 52.48 3h9s n ASP 223 Cb 0.45 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.74 3h9s n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3h9s s GLN 224 N -5.18 0.05 0.00 0.11 2.00 0.53 -4.82 119.66 112.35 3h9s s GLN 224 Ca 0.68 0.17 0.00 0.00 -2.00 0.00 0.00 55.36 54.21 3h9s s GLN 224 Cb -0.04 -0.08 0.00 0.00 0.80 0.00 0.00 33.01 33.70 3h9s s GLN 224 CO 0.45 -0.08 0.04 2.41 -0.50 0.00 0.00 175.29 177.61 3h9s n THR 225 N 3.55 0.00 0.00 -0.34 -1.04 -1.26 -4.12 114.28 111.07 3h9s n THR 225 Ca -0.19 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 3h9s n THR 225 Cb 0.56 1.11 -0.10 0.00 -1.82 0.00 0.00 70.33 70.08 3h9s n THR 225 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3h9s h GLN 226 N 0.00 -0.06 -0.16 -2.82 4.15 -1.99 -3.25 115.11 110.99 3h9s h GLN 226 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3h9s h GLN 226 Cb 0.05 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3h9s h GLN 226 CO 0.00 0.47 0.00 -0.25 -1.93 0.00 0.00 178.83 177.12 3h9s n ASP 227 N -4.86 2.40 -4.68 -0.69 9.92 -1.26 -4.95 116.55 112.44 3h9s n ASP 227 Ca -0.09 -1.80 -0.42 0.00 -0.53 0.00 0.00 54.79 51.95 3h9s n ASP 227 Cb 0.28 -0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 3h9s n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3h9s s THR 228 N -1.81 4.22 -0.35 -3.53 2.01 -1.23 -4.07 115.64 110.88 3h9s s THR 228 Ca 0.34 1.53 0.02 0.00 0.31 0.00 0.00 61.69 63.89 3h9s s THR 228 Cb 0.20 -3.99 0.10 0.00 0.01 0.00 0.00 72.50 68.82 3h9s s THR 228 CO 0.30 -0.04 0.08 -0.70 -0.69 0.00 0.00 174.62 173.57 3h9s s GLU 229 N 2.64 1.72 0.23 4.92 2.12 -0.16 -4.96 118.70 125.21 3h9s s GLU 229 Ca 0.56 -1.80 -0.20 0.00 0.36 0.00 0.00 54.97 53.89 3h9s s GLU 229 Cb -0.24 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.77 3h9s s GLU 229 CO 0.20 -0.94 0.74 -0.51 -0.54 0.00 0.00 175.26 174.21 3h9s s LEU 230 N 1.00 4.33 0.30 2.70 1.02 -1.26 -1.11 118.68 125.66 3h9s s LEU 230 Ca 0.08 1.44 0.06 0.00 0.02 0.00 0.00 54.13 55.73 3h9s s LEU 230 Cb -0.20 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.37 3h9s s LEU 230 CO -0.06 0.02 0.42 0.68 0.02 0.00 0.00 176.35 177.43 3h9s s VAL 231 N -1.54 4.55 0.43 -1.59 -7.23 -0.78 -5.01 120.40 109.22 3h9s s VAL 231 Ca 0.44 -1.01 -0.26 0.00 -1.81 0.00 0.00 61.98 59.34 3h9s s VAL 231 Cb -0.17 -3.59 -0.09 0.00 0.56 0.00 0.00 36.38 33.10 3h9s s VAL 231 CO 0.21 -0.23 1.46 -0.62 -0.31 0.00 0.00 175.10 175.61 3h9s n GLU 232 N -1.54 2.42 -1.96 4.82 1.02 -1.26 -4.71 120.64 119.43 3h9s n GLU 232 Ca -0.04 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.54 3h9s n GLU 232 Cb 0.58 -2.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.31 3h9s n GLU 232 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h9s s THR 233 N -1.17 2.80 -0.02 2.62 2.01 -1.26 -4.83 115.64 115.79 3h9s s THR 233 Ca 0.58 0.52 0.04 0.00 0.31 0.00 0.00 61.69 63.14 3h9s s THR 233 Cb -0.45 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 3h9s s THR 233 CO 0.60 0.03 -0.14 0.00 -0.69 0.00 0.00 174.62 174.42 3h9s s ARG 234 N 1.48 1.22 0.25 4.92 1.70 -0.35 -4.96 118.95 123.21 3h9s s ARG 234 Ca 0.70 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 55.16 3h9s s ARG 234 Cb -0.42 -1.15 -0.09 0.00 -0.57 0.00 0.00 34.95 32.71 3h9s s ARG 234 CO 0.31 0.28 1.20 -1.25 -1.08 0.00 0.00 175.30 174.76 3h9s s PRO 235 N -0.23 4.50 0.22 3.89 0.04 -1.26 -0.78 135.00 141.38 3h9s s PRO 235 Ca 0.03 1.95 0.11 0.00 0.04 0.00 0.00 61.00 63.13 3h9s s PRO 235 Cb -0.07 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.38 3h9s s PRO 235 CO -0.00 -0.03 1.44 0.00 0.04 0.00 0.00 177.00 178.46 3h9s h ALA 236 N 4.35 0.64 0.00 8.56 0.00 -1.57 -3.47 119.26 127.77 3h9s h ALA 236 Ca -0.46 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.77 3h9s h ALA 236 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h9s h ALA 236 CO 0.70 0.93 0.00 0.41 0.00 0.00 0.00 179.25 181.29 3h9s n GLY 237 N 0.93 0.90 0.93 0.00 0.00 -1.26 -4.91 105.19 101.78 3h9s n GLY 237 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3h9s n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h9s n ASP 238 N 0.00 2.87 0.00 1.61 5.68 -1.26 -4.91 116.55 120.54 3h9s n ASP 238 Ca 0.00 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3h9s n ASP 238 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3h9s n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h9s n GLY 239 N 1.36 0.45 3.90 6.12 0.00 -1.26 -5.10 105.19 110.67 3h9s n GLY 239 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3h9s n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h9s s THR 240 N -2.00 1.90 0.31 2.61 -4.23 -1.26 -4.87 115.64 108.10 3h9s s THR 240 Ca 0.00 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3h9s s THR 240 Cb 0.00 -2.33 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 3h9s s THR 240 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 3h9s s PHE 241 N -2.70 2.00 -0.02 3.99 0.40 0.53 -1.45 117.98 120.73 3h9s s PHE 241 Ca 0.39 -0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 55.87 3h9s s PHE 241 Cb -0.02 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.25 3h9s s PHE 241 CO 0.24 0.15 0.05 -0.65 0.70 0.00 0.00 175.22 175.71 3h9s s GLN 242 N -3.81 0.05 -0.16 0.44 -0.21 0.04 -1.59 119.66 114.43 3h9s s GLN 242 Ca 0.34 0.09 -0.21 0.00 0.02 0.00 0.00 55.36 55.60 3h9s s GLN 242 Cb 0.07 0.00 0.05 0.00 1.00 0.00 0.00 33.01 34.14 3h9s s GLN 242 CO 0.14 -0.02 0.55 0.21 -2.12 0.00 0.00 175.29 174.04 3h9s s LYS 243 N 0.14 0.71 0.09 2.91 2.20 -0.49 -1.21 119.74 124.09 3h9s s LYS 243 Ca -0.01 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 3h9s s LYS 243 Cb -0.02 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.61 3h9s s LYS 243 CO -0.00 -0.13 -0.12 1.67 -0.36 0.00 0.00 175.35 176.41 3h9s s TRP 244 N -0.11 1.13 0.00 4.03 1.48 -1.26 -1.61 118.94 122.60 3h9s s TRP 244 Ca -0.03 -0.57 0.03 0.00 -1.06 0.00 0.00 56.10 54.47 3h9s s TRP 244 Cb -0.03 -0.62 -0.01 0.00 -1.16 0.00 0.00 33.47 31.65 3h9s s TRP 244 CO 0.03 0.03 -0.10 0.00 -4.06 0.00 0.00 176.95 172.85 3h9s s ALA 245 N -1.96 0.83 0.06 2.67 0.00 -0.97 -1.87 121.76 120.52 3h9s s ALA 245 Ca 0.02 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.55 3h9s s ALA 245 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3h9s s ALA 245 CO 0.01 0.19 -0.13 0.00 0.00 0.00 0.00 175.76 175.83 3h9s s ALA 246 N -0.36 1.06 0.03 0.00 0.00 -0.27 -0.31 121.76 121.92 3h9s s ALA 246 Ca 0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3h9s s ALA 246 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3h9s s ALA 246 CO -0.00 0.14 -0.12 0.14 0.00 0.00 0.00 175.76 175.93 3h9s s VAL 247 N -1.20 0.90 -0.49 0.00 -7.23 -0.66 -0.98 120.40 110.74 3h9s s VAL 247 Ca -0.03 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 3h9s s VAL 247 Cb -0.09 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 36.05 3h9s s VAL 247 CO 0.02 -0.04 0.80 -0.69 -0.31 0.00 0.00 175.10 174.88 3h9s s VAL 248 N -0.81 4.62 -0.21 1.32 1.01 -1.26 -2.01 120.40 123.06 3h9s s VAL 248 Ca -0.00 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 3h9s s VAL 248 Cb -0.07 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3h9s s VAL 248 CO 0.01 -0.84 0.06 -0.69 0.00 0.00 0.00 175.10 173.64 3h9s s VAL 249 N 3.35 4.56 -0.52 2.92 1.01 0.68 -4.96 120.40 127.44 3h9s s VAL 249 Ca 0.27 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 3h9s s VAL 249 Cb -0.13 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 3h9s s VAL 249 CO 0.20 0.41 2.43 -2.65 0.00 0.00 0.00 175.10 175.49 3h9s n PRO 250 N 4.06 0.99 -2.10 2.72 -0.02 -1.26 -1.71 135.00 137.69 3h9s n PRO 250 Ca -0.16 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 3h9s n PRO 250 Cb 0.52 -3.30 -0.02 0.00 -0.02 0.00 0.00 33.50 30.68 3h9s n PRO 250 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h9s s SER 251 N 11.89 6.72 0.00 2.55 1.04 -1.23 -3.35 113.70 131.33 3h9s s SER 251 Ca 1.01 2.70 0.00 0.00 0.48 0.00 0.00 55.95 60.14 3h9s s SER 251 Cb -0.26 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.21 3h9s s SER 251 CO 0.28 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.54 3h9s n GLY 252 N 0.77 1.04 2.46 7.32 0.00 -1.26 -4.96 105.19 110.56 3h9s n GLY 252 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3h9s n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h9s n GLN 253 N -0.53 2.71 -0.83 1.61 3.00 -1.21 -4.68 117.38 117.45 3h9s n GLN 253 Ca 0.00 -3.99 0.04 0.00 -0.01 0.00 0.00 57.00 53.04 3h9s n GLN 253 Cb 0.00 -1.94 0.35 0.00 0.00 0.00 0.00 30.24 28.65 3h9s n GLN 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3h9s n GLU 254 N -0.46 4.15 -0.13 -1.09 4.71 -1.26 -4.06 120.64 122.50 3h9s n GLU 254 Ca 0.29 -3.09 -0.22 0.00 -0.01 0.00 0.00 57.16 54.13 3h9s n GLU 254 Cb 0.80 -2.16 -0.11 0.00 -1.01 0.00 0.00 31.44 28.95 3h9s n GLU 254 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h9s n GLN 255 N 0.16 0.63 -1.66 3.49 10.64 -1.26 -4.08 117.38 125.30 3h9s n GLN 255 Ca 0.29 0.19 -0.31 0.00 -1.83 0.00 0.00 57.00 55.34 3h9s n GLN 255 Cb 1.17 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 29.01 3h9s n GLN 255 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 3h9s n ARG 256 N -3.60 2.68 -3.68 2.61 1.85 -1.26 -4.77 116.66 110.50 3h9s n ARG 256 Ca -0.48 -2.77 -0.13 0.00 -1.00 0.00 0.00 57.85 53.46 3h9s n ARG 256 Cb 0.96 -2.21 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 3h9s n ARG 256 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3h9s s TYR 257 N -2.38 -0.38 -0.09 2.89 1.51 -1.26 -3.28 117.35 114.36 3h9s s TYR 257 Ca 0.56 0.89 0.04 0.00 -1.01 0.00 0.00 57.07 57.56 3h9s s TYR 257 Cb 0.38 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 42.21 3h9s s TYR 257 CO -0.27 -0.31 -0.23 0.95 -1.11 0.00 0.00 175.55 174.58 3h9s s THR 258 N 2.05 2.18 0.21 -0.71 -4.23 -0.57 -4.13 115.64 110.42 3h9s s THR 258 Ca -0.02 -0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 3h9s s THR 258 Cb -0.11 -1.82 -0.08 0.00 1.34 0.00 0.00 72.50 71.82 3h9s s THR 258 CO -0.08 0.56 0.91 0.00 -0.54 0.00 0.00 174.62 175.47 3h9s s HIS 260 N -1.00 2.23 -0.19 0.00 2.46 -0.95 -1.84 115.29 116.01 3h9s s HIS 260 Ca 0.41 -1.34 -0.04 0.00 0.47 0.00 0.00 55.06 54.56 3h9s s HIS 260 Cb -0.25 -1.60 -0.02 0.00 -0.13 0.00 0.00 32.58 30.58 3h9s s HIS 260 CO 0.31 -0.69 -0.04 0.08 -2.47 0.00 0.00 174.74 171.92 3h9s s VAL 261 N 1.46 3.58 -0.15 0.89 1.01 -0.59 -2.21 120.40 124.39 3h9s s VAL 261 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3h9s s VAL 261 Cb -0.14 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 3h9s s VAL 261 CO -0.10 0.45 -0.12 -1.10 0.00 0.00 0.00 175.10 174.22 3h9s s GLN 262 N 1.04 3.34 0.05 2.72 -0.21 0.24 -2.04 119.66 124.80 3h9s s GLN 262 Ca 0.01 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 54.63 3h9s s GLN 262 Cb -0.15 -2.68 -0.01 0.00 1.00 0.00 0.00 33.01 31.17 3h9s s GLN 262 CO 0.00 0.10 0.12 -1.58 -2.12 0.00 0.00 175.29 171.81 3h9s s HIS 263 N 0.63 0.20 -0.47 0.91 2.46 -1.26 -0.62 115.29 117.15 3h9s s HIS 263 Ca -0.07 -0.55 0.23 0.00 0.47 0.00 0.00 55.06 55.15 3h9s s HIS 263 Cb -0.15 -0.13 0.38 0.00 -0.13 0.00 0.00 32.58 32.54 3h9s s HIS 263 CO 0.03 -0.42 1.60 1.05 -2.47 0.00 0.00 174.74 174.53 3h9s h GLU 264 N 3.37 0.00 0.00 2.88 4.11 -1.95 -2.94 114.58 120.05 3h9s h GLU 264 Ca -0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.08 3h9s h GLU 264 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3h9s h GLU 264 CO 0.53 0.00 -0.10 0.78 0.07 0.00 0.00 179.01 180.29 3h9s h GLY 265 N 4.07 0.00 -4.37 1.06 0.00 -1.88 -3.44 103.07 98.51 3h9s h GLY 265 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3h9s h GLY 265 CO 0.00 0.00 0.66 1.08 0.00 0.00 0.00 176.54 178.28 3h9s s LEU 266 N -6.35 4.40 0.00 3.11 1.43 -1.11 -4.78 118.68 115.38 3h9s s LEU 266 Ca 0.03 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 3h9s s LEU 266 Cb 0.08 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3h9s s LEU 266 CO 0.63 -0.55 0.64 -2.65 0.23 0.00 0.00 176.35 174.65 3h9s n PRO 267 N 3.26 0.00 -3.88 1.29 -0.02 -1.26 -4.79 135.00 129.61 3h9s n PRO 267 Ca 0.08 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 3h9s n PRO 267 Cb 0.43 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 32.57 3h9s n PRO 267 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h9s s LYS 268 N -2.20 3.46 0.18 -0.52 1.02 -1.26 -5.08 119.74 115.34 3h9s s LYS 268 Ca 0.00 -0.23 -0.32 0.00 0.02 0.00 0.00 55.97 55.44 3h9s s LYS 268 Cb 0.00 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 34.07 3h9s s LYS 268 CO 0.00 0.70 1.75 -2.14 -0.92 0.00 0.00 175.35 174.74 3h9s s PRO 269 N -1.64 4.14 0.04 -1.68 0.02 -1.26 -4.98 135.00 129.64 3h9s s PRO 269 Ca 0.24 2.58 -0.27 0.00 0.02 0.00 0.00 61.00 63.57 3h9s s PRO 269 Cb -0.13 -3.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.09 3h9s s PRO 269 CO 0.14 -0.77 0.85 -0.51 -0.33 0.00 0.00 177.00 176.38 3h9s s LEU 270 N 1.71 4.43 -0.16 -5.54 1.43 -0.87 -4.92 118.68 114.76 3h9s s LEU 270 Ca 0.76 1.55 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3h9s s LEU 270 Cb -0.48 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 3h9s s LEU 270 CO 0.33 -0.07 -0.13 -0.89 0.23 0.00 0.00 176.35 175.81 3h9s s THR 271 N 0.26 2.80 -0.23 5.49 2.01 -1.26 -1.54 115.64 123.18 3h9s s THR 271 Ca 0.43 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3h9s s THR 271 Cb -0.21 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.16 3h9s s THR 271 CO 0.25 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.89 3h9s s LEU 272 N 0.88 2.39 0.46 4.42 1.43 -0.76 -4.99 118.68 122.50 3h9s s LEU 272 Ca -0.04 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 51.78 3h9s s LEU 272 Cb -0.15 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 3h9s s LEU 272 CO -0.01 -0.25 0.87 -0.60 0.23 0.00 0.00 176.35 176.59 3h9s s ARG 273 N 1.46 3.85 -0.28 1.70 3.52 -1.26 -1.30 118.95 126.64 3h9s s ARG 273 Ca -0.05 0.69 -0.23 0.00 -0.13 0.00 0.00 55.73 56.02 3h9s s ARG 273 Cb -0.19 -2.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 3h9s s ARG 273 CO -0.07 -0.15 0.76 -0.46 -0.81 0.00 0.00 175.30 174.57 3h9s s TRP 274 N -2.50 3.25 0.00 5.12 -0.11 -1.26 -4.99 118.94 118.45 3h9s s TRP 274 Ca 0.55 0.90 0.00 0.00 1.22 0.00 0.00 56.10 58.76 3h9s s TRP 274 Cb -0.10 -3.09 0.00 0.00 -1.50 0.00 0.00 33.47 28.78 3h9s s TRP 274 CO 0.32 -0.47 0.37 0.39 -4.62 0.00 0.00 176.95 172.94