#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4s s SER 2 N 0.00 5.51 0.05 1.61 1.04 -1.26 -3.99 113.70 116.67 2x4s s SER 2 Ca 0.00 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2x4s s SER 2 Cb 0.00 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 2x4s s SER 2 CO 0.00 -1.11 -0.04 -1.00 0.98 0.00 0.00 173.24 172.07 2x4s s HIS 3 N -3.00 0.55 0.29 5.02 3.76 -1.06 -4.98 115.29 115.86 2x4s s HIS 3 Ca 0.54 -0.80 0.05 0.00 -0.15 0.00 0.00 55.06 54.70 2x4s s HIS 3 Cb -0.11 -0.36 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 2x4s s HIS 3 CO 0.45 -0.23 0.00 -1.54 -0.85 0.00 0.00 174.74 172.57 2x4s s SER 4 N -2.33 2.39 -0.01 1.40 1.04 -1.26 -1.66 113.70 113.27 2x4s s SER 4 Ca -0.01 -1.28 -0.00 0.00 0.48 0.00 0.00 55.95 55.14 2x4s s SER 4 Cb -0.00 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2x4s s SER 4 CO -0.05 -0.49 0.02 -0.32 0.98 0.00 0.00 173.24 173.38 2x4s s MET 5 N -3.83 -0.03 -0.03 4.02 1.75 -0.60 -1.90 119.30 118.69 2x4s s MET 5 Ca 0.32 0.13 -0.05 0.00 -1.25 0.00 0.00 55.69 54.84 2x4s s MET 5 Cb 0.06 -0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.57 2x4s s MET 5 CO 0.13 -0.12 0.13 1.03 -0.65 0.00 0.00 175.02 175.54 2x4s s ARG 6 N 0.74 0.27 -0.10 4.11 0.52 -0.08 -1.48 118.95 122.94 2x4s s ARG 6 Ca -0.06 -0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 2x4s s ARG 6 Cb -0.09 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 2x4s s ARG 6 CO -0.02 -0.05 -0.19 0.71 0.02 0.00 0.00 175.30 175.77 2x4s s TYR 7 N -0.47 2.65 -0.18 -0.53 2.02 -0.31 0.47 117.35 121.00 2x4s s TYR 7 Ca -0.06 -0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 2x4s s TYR 7 Cb -0.04 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2x4s s TYR 7 CO 0.01 -0.23 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.61 2x4s s PHE 8 N 0.13 2.91 -0.14 2.71 0.08 0.44 -2.91 117.98 121.19 2x4s s PHE 8 Ca -0.10 -0.85 0.02 0.00 0.12 0.00 0.00 56.93 56.12 2x4s s PHE 8 Cb -0.16 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2x4s s PHE 8 CO 0.06 -0.42 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.49 2x4s s PHE 9 N 1.03 2.57 -0.05 0.36 0.08 0.20 -2.10 117.98 120.06 2x4s s PHE 9 Ca -0.00 -1.34 0.06 0.00 0.12 0.00 0.00 56.93 55.76 2x4s s PHE 9 Cb -0.15 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2x4s s PHE 9 CO -0.01 -0.64 -0.23 0.99 -0.10 0.00 0.00 175.22 175.23 2x4s s THR 10 N 0.97 1.91 -0.17 0.64 2.01 -0.55 -0.98 115.64 119.48 2x4s s THR 10 Ca -0.04 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 2x4s s THR 10 Cb -0.15 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2x4s s THR 10 CO -0.05 0.53 0.08 -0.55 -0.69 0.00 0.00 174.62 173.95 2x4s s SER 11 N -0.13 2.34 -0.34 3.53 0.15 -0.29 -0.92 113.70 118.04 2x4s s SER 11 Ca -0.03 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 55.97 2x4s s SER 11 Cb -0.13 -0.27 0.06 0.00 -1.71 0.00 0.00 66.02 63.97 2x4s s SER 11 CO 0.03 -0.34 0.10 -0.69 1.20 0.00 0.00 173.24 173.54 2x4s s VAL 12 N 2.11 3.51 0.27 4.45 1.01 0.29 -0.83 120.40 131.22 2x4s s VAL 12 Ca 0.02 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 2x4s s VAL 12 Cb -0.16 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.04 2x4s s VAL 12 CO -0.09 -0.26 1.63 -0.94 0.00 0.00 0.00 175.10 175.44 2x4s s SER 13 N 1.49 6.36 -0.88 3.32 1.04 -0.83 -0.76 113.70 123.43 2x4s s SER 13 Ca -0.01 2.94 -0.01 0.00 0.48 0.00 0.00 55.95 59.36 2x4s s SER 13 Cb -0.20 -2.63 0.23 0.00 0.10 0.00 0.00 66.02 63.52 2x4s s SER 13 CO 0.01 -0.94 0.85 0.54 0.98 0.00 0.00 173.24 174.67 2x4s n ARG 14 N 2.59 2.79 -1.69 4.02 1.74 -1.26 -4.21 116.66 120.64 2x4s n ARG 14 Ca 0.10 -4.51 -0.39 0.00 -0.77 0.00 0.00 57.85 52.28 2x4s n ARG 14 Cb 0.37 -2.40 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 2x4s n ARG 14 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2x4s s PRO 15 N -1.67 2.58 0.00 5.56 0.02 -1.26 -1.25 135.00 138.99 2x4s s PRO 15 Ca 0.29 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2x4s s PRO 15 Cb -0.03 -4.46 0.00 0.00 0.02 0.00 0.00 34.50 30.03 2x4s s PRO 15 CO -0.09 -2.74 0.00 0.41 -0.33 0.00 0.00 177.00 174.25 2x4s n GLY 16 N 5.83 0.70 1.81 0.52 0.00 -1.26 -4.93 105.19 107.86 2x4s n GLY 16 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.36 2x4s n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4s n ARG 17 N -2.03 0.50 0.00 1.61 1.74 -0.38 -5.14 116.66 112.97 2x4s n ARG 17 Ca 0.00 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 2x4s n ARG 17 Cb 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2x4s n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x4s n GLY 18 N 0.18 0.01 3.86 -0.13 0.00 -1.13 -4.90 105.19 103.07 2x4s n GLY 18 Ca 0.07 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 2x4s n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4s s GLU 19 N 0.00 3.82 -0.01 1.61 0.41 -1.26 -4.49 118.70 118.78 2x4s s GLU 19 Ca 0.00 0.82 -0.37 0.00 -0.41 0.00 0.00 54.97 55.00 2x4s s GLU 19 Cb 0.00 -2.16 -0.16 0.00 -1.78 0.00 0.00 34.13 30.03 2x4s s GLU 19 CO 0.00 -0.32 1.48 -2.30 -0.49 0.00 0.00 175.26 173.63 2x4s n PRO 20 N -1.89 1.26 -2.35 0.39 -0.02 -1.26 -4.26 135.00 126.87 2x4s n PRO 20 Ca 0.06 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 2x4s n PRO 20 Cb 0.54 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2x4s n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2x4s s ARG 21 N 1.42 3.91 -0.08 -0.52 3.52 0.06 -4.83 118.95 122.43 2x4s s ARG 21 Ca 0.88 1.37 0.01 0.00 -0.13 0.00 0.00 55.73 57.87 2x4s s ARG 21 Cb -0.95 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 28.50 2x4s s ARG 21 CO 0.51 -1.13 -0.10 0.12 -0.81 0.00 0.00 175.30 173.89 2x4s s PHE 22 N 4.50 2.84 -0.08 5.12 5.36 -1.26 -0.55 117.98 133.91 2x4s s PHE 22 Ca 0.60 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 2x4s s PHE 22 Cb -0.19 -1.72 0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2x4s s PHE 22 CO 0.24 0.18 0.18 0.42 -1.46 0.00 0.00 175.22 174.78 2x4s s ILE 23 N -0.54 -0.04 -0.02 3.12 1.01 -0.09 -1.24 121.20 123.40 2x4s s ILE 23 Ca 0.08 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.92 2x4s s ILE 23 Cb -0.12 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2x4s s ILE 23 CO 0.02 0.06 -0.14 0.00 0.00 0.00 0.00 174.94 174.88 2x4s s ALA 24 N 1.08 1.19 0.02 9.38 0.00 -0.33 -1.49 121.76 131.62 2x4s s ALA 24 Ca -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2x4s s ALA 24 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2x4s s ALA 24 CO -0.06 0.26 -0.06 0.14 0.00 0.00 0.00 175.76 176.05 2x4s s VAL 25 N -0.19 0.40 0.02 0.00 -7.23 -0.89 -0.54 120.40 111.96 2x4s s VAL 25 Ca 0.03 -0.75 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 2x4s s VAL 25 Cb -0.07 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2x4s s VAL 25 CO 0.00 -0.24 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.53 2x4s s GLY 26 N -1.07 1.52 -0.04 2.32 0.00 -1.08 -0.42 107.32 108.55 2x4s s GLY 26 Ca -0.07 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.55 2x4s s GLY 26 CO -0.00 -1.02 -0.20 -0.19 0.00 0.00 0.00 173.10 171.68 2x4s s TYR 27 N -0.85 1.98 -0.35 1.90 2.02 0.18 -2.59 117.35 119.64 2x4s s TYR 27 Ca 0.13 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 56.21 2x4s s TYR 27 Cb -0.10 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 2x4s s TYR 27 CO 0.04 -0.16 0.15 0.08 -1.57 0.00 0.00 175.55 174.09 2x4s s VAL 28 N -0.14 4.23 0.00 0.71 1.01 0.94 -0.91 120.40 126.25 2x4s s VAL 28 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2x4s s VAL 28 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2x4s s VAL 28 CO 0.02 -0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.43 2x4s n ASP 29 N 4.92 0.00 -0.33 3.32 8.00 -0.80 -0.47 116.55 131.20 2x4s n ASP 29 Ca -0.12 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.47 2x4s n ASP 29 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 2x4s n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4s n ASP 30 N 7.69 1.62 -4.62 -2.24 8.00 -1.26 -4.89 116.55 120.86 2x4s n ASP 30 Ca 0.00 -1.31 -0.40 0.00 0.71 0.00 0.00 54.79 53.79 2x4s n ASP 30 Cb 0.00 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 41.64 2x4s n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4s s THR 31 N -2.42 5.08 0.47 -3.53 2.01 0.38 -5.06 115.64 112.58 2x4s s THR 31 Ca 0.14 0.84 -0.21 0.00 0.31 0.00 0.00 61.69 62.78 2x4s s THR 31 Cb 0.16 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2x4s s THR 31 CO 0.59 0.10 1.02 -1.58 -0.69 0.00 0.00 174.62 174.06 2x4s s GLN 32 N 2.26 3.90 0.00 4.92 0.74 -1.26 -0.04 119.66 130.18 2x4s s GLN 32 Ca 0.20 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.93 2x4s s GLN 32 Cb -0.16 -2.13 0.00 0.00 1.10 0.00 0.00 33.01 31.83 2x4s s GLN 32 CO 0.09 -0.34 0.00 1.97 -0.55 0.00 0.00 175.29 176.46 2x4s n PHE 33 N -0.87 0.00 -4.18 1.67 -1.74 -1.07 -4.17 117.46 107.10 2x4s n PHE 33 Ca 0.09 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.87 2x4s n PHE 33 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 2x4s n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2x4s s VAL 34 N -1.42 0.69 0.22 1.97 -7.23 -1.26 0.15 120.40 113.52 2x4s s VAL 34 Ca 0.00 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2x4s s VAL 34 Cb 0.00 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2x4s s VAL 34 CO 0.00 -0.81 0.39 0.00 -0.31 0.00 0.00 175.10 174.37 2x4s s ARG 35 N -3.85 1.40 -0.20 4.82 1.70 0.16 -2.62 118.95 120.36 2x4s s ARG 35 Ca 0.14 -1.24 -0.24 0.00 -0.47 0.00 0.00 55.73 53.92 2x4s s ARG 35 Cb 0.05 0.43 0.06 0.00 -0.57 0.00 0.00 34.95 34.92 2x4s s ARG 35 CO -0.03 -0.56 0.64 0.12 -1.08 0.00 0.00 175.30 174.39 2x4s s PHE 36 N -4.01 -0.68 -0.07 5.89 5.36 0.30 -0.49 117.98 124.29 2x4s s PHE 36 Ca 0.22 1.55 -0.03 0.00 -0.96 0.00 0.00 56.93 57.71 2x4s s PHE 36 Cb 0.01 0.27 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 2x4s s PHE 36 CO 0.06 -0.40 0.14 0.34 -1.46 0.00 0.00 175.22 173.91 2x4s s ASP 37 N -0.03 0.25 0.10 6.13 -1.08 -1.26 -1.18 116.67 119.59 2x4s s ASP 37 Ca -0.03 0.30 -0.21 0.00 -0.52 0.00 0.00 52.55 52.09 2x4s s ASP 37 Cb -0.04 0.20 -0.09 0.00 -1.46 0.00 0.00 42.92 41.53 2x4s s ASP 37 CO 0.03 -0.19 1.69 0.77 0.52 0.00 0.00 175.17 178.00 2x4s h SER 38 N 7.69 0.20 0.00 -0.34 4.64 -1.56 -2.03 113.55 122.16 2x4s h SER 38 Ca -0.31 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2x4s h SER 38 Cb 1.13 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2x4s h SER 38 CO 0.31 0.23 0.00 0.47 -0.87 0.00 0.00 176.83 176.98 2x4s n ASP 39 N -4.92 0.00 -4.83 4.97 9.92 -1.26 -4.75 116.55 115.68 2x4s n ASP 39 Ca -0.04 -0.51 -0.25 0.00 -0.53 0.00 0.00 54.79 53.46 2x4s n ASP 39 Cb 0.07 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.63 2x4s n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x4s s ALA 40 N -2.00 3.23 -0.11 2.24 0.00 -0.76 -5.06 121.76 119.30 2x4s s ALA 40 Ca 0.16 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2x4s s ALA 40 Cb 0.07 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 2x4s s ALA 40 CO 0.12 -1.36 0.04 0.00 0.00 0.00 0.00 175.76 174.55 2x4s h ALA 41 N -0.61 0.01 0.00 0.00 0.00 -1.85 -3.38 119.26 113.43 2x4s h ALA 41 Ca -0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2x4s h ALA 41 Cb 1.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2x4s h ALA 41 CO 0.55 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.56 2x4s h SER 42 N -1.00 0.00 -1.99 0.00 4.64 -1.96 -3.44 113.55 109.80 2x4s h SER 42 Ca -0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2x4s h SER 42 Cb 0.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.20 2x4s h SER 42 CO -0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 2x4s n GLN 43 N -2.76 -1.53 -4.55 4.77 1.13 -1.26 -4.92 117.38 108.26 2x4s n GLN 43 Ca -0.02 0.76 -0.26 0.00 -1.94 0.00 0.00 57.00 55.53 2x4s n GLN 43 Cb 0.06 -5.11 -0.11 0.00 0.11 0.00 0.00 30.24 25.20 2x4s n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2x4s s ARG 44 N -3.65 1.86 0.40 -1.09 0.52 -1.26 -5.02 118.95 110.71 2x4s s ARG 44 Ca 0.00 -1.97 -0.25 0.00 -0.52 0.00 0.00 55.73 52.99 2x4s s ARG 44 Cb 0.00 -1.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 2x4s s ARG 44 CO 0.00 0.10 1.15 1.41 0.02 0.00 0.00 175.30 177.98 2x4s s MET 45 N -3.63 4.06 0.06 3.54 -2.45 -1.26 -4.56 119.30 115.05 2x4s s MET 45 Ca 0.33 1.79 0.05 0.00 -1.25 0.00 0.00 55.69 56.61 2x4s s MET 45 Cb 0.04 -2.65 -0.03 0.00 1.25 0.00 0.00 34.83 33.45 2x4s s MET 45 CO 0.17 -0.30 -0.14 -1.21 1.05 0.00 0.00 175.02 174.58 2x4s s GLU 46 N -2.34 0.89 0.20 4.11 2.02 0.36 -4.93 118.70 119.01 2x4s s GLU 46 Ca 0.57 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 2x4s s GLU 46 Cb -0.29 -0.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.94 2x4s s GLU 46 CO 0.37 0.21 1.33 -1.25 0.02 0.00 0.00 175.26 175.94 2x4s s PRO 47 N -1.46 4.37 -0.01 0.39 0.04 -1.26 -0.66 135.00 136.41 2x4s s PRO 47 Ca 0.00 2.08 0.13 0.00 0.04 0.00 0.00 61.00 63.26 2x4s s PRO 47 Cb -0.09 -3.19 -0.19 0.00 0.04 0.00 0.00 34.50 31.08 2x4s s PRO 47 CO 0.02 -0.28 0.36 0.54 0.04 0.00 0.00 177.00 177.68 2x4s n ARG 48 N 2.64 1.07 -4.56 4.56 5.12 0.39 -4.88 116.66 121.00 2x4s n ARG 48 Ca 0.06 -0.09 -0.26 0.00 -1.93 0.00 0.00 57.85 55.64 2x4s n ARG 48 Cb 0.42 -1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 30.37 2x4s n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4s s ALA 49 N -2.72 2.98 -1.78 7.54 0.00 -1.23 -4.87 121.76 121.70 2x4s s ALA 49 Ca -0.02 -1.69 0.14 0.00 0.00 0.00 0.00 51.96 50.39 2x4s s ALA 49 Cb 0.09 0.43 0.45 0.00 0.00 0.00 0.00 23.12 24.09 2x4s s ALA 49 CO 0.54 -0.21 1.35 -0.35 0.00 0.00 0.00 175.76 177.09 2x4s n PRO 50 N -0.90 2.34 -0.26 0.00 -0.04 -1.26 -3.89 135.00 130.99 2x4s n PRO 50 Ca -0.07 -1.79 0.07 0.00 -0.04 0.00 0.00 63.50 61.67 2x4s n PRO 50 Cb 0.66 -1.47 0.18 0.00 -0.04 0.00 0.00 33.50 32.84 2x4s n PRO 50 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2x4s n TRP 51 N 0.84 0.55 0.00 0.54 4.27 -1.26 -4.50 117.44 117.88 2x4s n TRP 51 Ca 0.17 -0.76 0.00 0.00 -3.89 0.00 0.00 57.50 53.01 2x4s n TRP 51 Cb 0.48 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 2x4s n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2x4s n ILE 52 N -0.42 0.00 0.13 -1.67 0.13 -1.25 -4.33 119.36 111.95 2x4s n ILE 52 Ca 0.16 -0.01 0.02 0.00 -1.10 0.00 0.00 62.75 61.81 2x4s n ILE 52 Cb 0.66 0.53 0.08 0.00 -0.84 0.00 0.00 39.64 40.07 2x4s n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2x4s n GLU 53 N -0.06 0.01 -2.68 9.51 1.02 -1.25 -2.80 120.64 124.38 2x4s n GLU 53 Ca 0.00 0.41 -0.18 0.00 -0.02 0.00 0.00 57.16 57.38 2x4s n GLU 53 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 2x4s n GLU 53 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2x4s n GLN 54 N -1.47 2.11 0.01 3.49 1.13 -1.26 -4.86 117.38 116.53 2x4s n GLN 54 Ca 0.01 -3.85 -0.16 0.00 -1.94 0.00 0.00 57.00 51.06 2x4s n GLN 54 Cb 0.04 -1.74 -0.14 0.00 0.11 0.00 0.00 30.24 28.51 2x4s n GLN 54 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2x4s h GLU 55 N 2.85 0.18 0.00 -1.09 4.57 -1.91 -3.51 114.58 115.67 2x4s h GLU 55 Ca 0.08 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2x4s h GLU 55 Cb 1.00 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2x4s h GLU 55 CO 0.65 0.97 0.00 0.41 -1.18 0.00 0.00 179.01 179.86 2x4s n GLY 56 N 1.78 4.06 0.24 1.92 0.00 -1.26 -4.74 105.19 107.19 2x4s n GLY 56 Ca -0.23 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.42 2x4s n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x4s h PRO 57 N 0.00 0.07 -0.58 1.61 0.11 -1.98 -0.56 132.00 130.67 2x4s h PRO 57 Ca 0.00 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.13 2x4s h PRO 57 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2x4s h PRO 57 CO 0.00 0.15 0.36 1.49 -0.21 0.00 0.00 178.00 179.79 2x4s h GLU 58 N 0.07 0.68 0.71 1.05 4.22 -1.98 0.93 114.58 120.26 2x4s h GLU 58 Ca 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 2x4s h GLU 58 Cb 0.19 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2x4s h GLU 58 CO 0.01 0.45 -0.34 -0.92 -2.18 0.00 0.00 179.01 176.03 2x4s h TYR 59 N 0.70 -0.89 -0.58 0.92 3.20 -1.44 -1.47 116.97 117.42 2x4s h TYR 59 Ca 0.23 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.15 2x4s h TYR 59 Cb 0.01 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2x4s h TYR 59 CO -0.06 -0.54 0.39 -1.49 -1.64 0.00 0.00 178.16 174.82 2x4s h TRP 60 N -1.21 0.54 0.07 -3.82 4.06 -1.19 0.07 115.95 114.47 2x4s h TRP 60 Ca -0.10 0.01 -0.28 0.00 2.06 0.00 0.00 58.89 60.59 2x4s h TRP 60 Cb 0.75 -0.18 0.02 0.00 -1.00 0.00 0.00 29.16 28.75 2x4s h TRP 60 CO 0.00 0.29 -1.14 -0.44 -3.56 0.00 0.00 178.44 173.59 2x4s h ASP 61 N 0.53 0.81 -0.58 -3.49 5.19 -0.87 -2.55 116.42 115.46 2x4s h ASP 61 Ca 0.25 -0.71 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 2x4s h ASP 61 Cb 0.31 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2x4s h ASP 61 CO -0.07 1.51 0.29 1.23 -3.12 0.00 0.00 179.24 179.08 2x4s h GLY 62 N 0.56 0.89 1.16 2.75 0.00 -0.10 -1.09 103.07 107.25 2x4s h GLY 62 Ca -0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 2x4s h GLY 62 CO 0.21 0.41 -0.60 0.83 0.00 0.00 0.00 176.54 177.40 2x4s h GLU 63 N 0.79 0.87 0.11 4.80 4.39 -1.13 -2.48 114.58 121.94 2x4s h GLU 63 Ca 0.20 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2x4s h GLU 63 Cb 0.10 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2x4s h GLU 63 CO -0.03 1.21 -0.10 1.15 -1.16 0.00 0.00 179.01 180.09 2x4s h THR 64 N 0.65 0.78 -0.97 1.13 2.02 -1.29 0.48 112.91 115.71 2x4s h THR 64 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2x4s h THR 64 Cb 1.21 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 2x4s h THR 64 CO 0.13 0.00 0.62 -0.09 0.37 0.00 0.00 175.52 176.55 2x4s h ARG 65 N -0.23 0.91 -0.07 6.66 2.43 -1.24 -0.40 114.38 122.44 2x4s h ARG 65 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2x4s h ARG 65 Cb 0.21 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2x4s h ARG 65 CO -0.02 0.60 -0.11 0.87 -1.51 0.00 0.00 179.97 179.81 2x4s h LYS 66 N 0.94 0.19 -0.75 0.20 1.57 -0.72 -2.45 116.57 115.54 2x4s h LYS 66 Ca 0.48 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 2x4s h LYS 66 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2x4s h LYS 66 CO -0.24 0.68 0.33 -0.24 -0.57 0.00 0.00 179.45 179.40 2x4s h VAL 67 N -0.27 1.24 -0.55 0.50 3.04 0.27 -1.79 116.25 118.69 2x4s h VAL 67 Ca 0.01 -0.73 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2x4s h VAL 67 Cb 0.66 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 2x4s h VAL 67 CO 0.02 0.30 0.27 0.11 -1.01 0.00 0.00 177.57 177.26 2x4s h LYS 68 N 1.08 0.77 0.49 4.17 1.57 -1.10 0.24 116.57 123.79 2x4s h LYS 68 Ca 0.26 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2x4s h LYS 68 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2x4s h LYS 68 CO -0.03 0.59 -0.36 0.00 -0.57 0.00 0.00 179.45 179.09 2x4s h ALA 69 N 1.53 -0.85 -0.99 3.86 0.00 -0.85 -2.44 119.26 119.51 2x4s h ALA 69 Ca 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2x4s h ALA 69 Cb 0.07 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2x4s h ALA 69 CO -0.03 -1.00 0.62 0.45 0.00 0.00 0.00 179.25 179.29 2x4s h HIS 70 N -0.83 1.12 -0.54 0.00 3.86 -0.74 -0.39 115.15 117.63 2x4s h HIS 70 Ca -0.05 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 2x4s h HIS 70 Cb 0.70 -0.36 -0.11 0.00 1.06 0.00 0.00 27.41 28.71 2x4s h HIS 70 CO -0.14 0.45 -0.19 1.03 0.86 0.00 0.00 177.93 179.94 2x4s h SER 71 N 0.99 -0.69 -0.07 2.45 0.87 -0.26 -1.72 113.55 115.13 2x4s h SER 71 Ca 0.49 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 2x4s h SER 71 Cb 0.46 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2x4s h SER 71 CO -0.26 -0.23 -0.01 -0.61 -0.53 0.00 0.00 176.83 175.19 2x4s h GLN 72 N -0.06 0.13 -0.47 2.24 -0.00 -0.65 -2.34 115.11 113.94 2x4s h GLN 72 Ca 0.25 -0.04 0.10 0.00 -0.00 0.00 0.00 58.65 58.95 2x4s h GLN 72 Cb 0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.83 2x4s h GLN 72 CO -0.59 0.43 -0.24 1.15 0.00 0.00 0.00 178.83 179.58 2x4s h THR 73 N -0.19 0.32 -0.31 2.39 2.02 -0.77 0.12 112.91 116.49 2x4s h THR 73 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2x4s h THR 73 Cb 0.38 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2x4s h THR 73 CO 0.01 0.00 0.09 0.45 0.37 0.00 0.00 175.52 176.43 2x4s h HIS 74 N -0.14 0.45 -0.61 3.16 3.86 -1.34 0.75 115.15 121.28 2x4s h HIS 74 Ca 0.22 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2x4s h HIS 74 Cb 0.48 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 2x4s h HIS 74 CO -0.51 0.39 0.36 -0.09 0.86 0.00 0.00 177.93 178.94 2x4s h ARG 75 N 0.44 0.69 -0.18 2.45 2.43 -0.26 -0.20 114.38 119.75 2x4s h ARG 75 Ca 0.11 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 2x4s h ARG 75 Cb 0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2x4s h ARG 75 CO -0.01 0.46 -0.43 0.28 -1.51 0.00 0.00 179.97 178.76 2x4s h VAL 76 N 0.71 1.31 -0.71 0.20 2.07 -0.11 -3.25 116.25 116.47 2x4s h VAL 76 Ca 0.25 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 2x4s h VAL 76 Cb 0.05 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2x4s h VAL 76 CO -0.12 0.49 0.17 0.44 0.02 0.00 0.00 177.57 178.58 2x4s h ASP 77 N 0.35 1.07 -0.53 0.57 3.32 0.58 -1.44 116.42 120.34 2x4s h ASP 77 Ca 0.03 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2x4s h ASP 77 Cb 0.90 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2x4s h ASP 77 CO 0.08 1.03 0.35 -0.07 -1.72 0.00 0.00 179.24 178.91 2x4s h LEU 78 N 1.06 0.59 0.70 1.55 3.38 -1.14 -1.38 115.31 120.07 2x4s h LEU 78 Ca 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2x4s h LEU 78 Cb 0.37 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x4s h LEU 78 CO 0.00 0.42 -0.33 1.23 0.09 0.00 0.00 178.44 179.85 2x4s h GLY 79 N 0.69 -0.98 -0.09 0.83 0.00 -1.45 -2.28 103.07 99.79 2x4s h GLY 79 Ca 0.20 0.36 0.22 0.00 0.00 0.00 0.00 47.33 48.12 2x4s h GLY 79 CO -0.05 -0.35 0.54 -0.84 0.00 0.00 0.00 176.54 175.84 2x4s h THR 80 N -1.14 0.56 0.12 4.70 2.02 -0.84 -1.00 112.91 117.33 2x4s h THR 80 Ca -0.10 -0.20 -0.29 0.00 0.77 0.00 0.00 66.41 66.60 2x4s h THR 80 Cb 0.75 -0.06 0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2x4s h THR 80 CO 0.16 0.11 -1.23 -0.07 0.37 0.00 0.00 175.52 174.86 2x4s h LEU 81 N 0.58 0.73 -0.35 2.58 3.38 -1.31 0.19 115.31 121.10 2x4s h LEU 81 Ca 0.60 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2x4s h LEU 81 Cb 1.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2x4s h LEU 81 CO -0.46 1.51 0.01 -0.09 0.09 0.00 0.00 178.44 179.49 2x4s h ARG 82 N 0.21 0.11 0.42 1.13 2.43 -0.78 -0.34 114.38 117.56 2x4s h ARG 82 Ca -0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2x4s h ARG 82 Cb 1.90 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.43 2x4s h ARG 82 CO 0.22 0.07 -0.27 0.78 -1.51 0.00 0.00 179.97 179.26 2x4s h GLY 83 N 0.11 -0.90 -0.94 2.80 0.00 -1.12 -0.87 103.07 102.15 2x4s h GLY 83 Ca 0.17 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.99 2x4s h GLY 83 CO -0.28 -0.30 -0.46 -1.72 0.00 0.00 0.00 176.54 173.77 2x4s n TYR 84 N -4.04 -0.20 1.73 5.60 4.01 0.64 -1.06 117.16 123.85 2x4s n TYR 84 Ca -0.08 1.17 0.15 0.00 -0.16 0.00 0.00 57.90 58.98 2x4s n TYR 84 Cb 0.28 -0.71 0.74 0.00 -0.31 0.00 0.00 39.34 39.34 2x4s n TYR 84 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2x4s n TYR 85 N -5.28 0.00 -3.26 -0.72 4.02 -0.15 -4.92 117.16 106.86 2x4s n TYR 85 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.80 2x4s n TYR 85 Cb 0.31 -0.03 0.08 0.00 -0.02 0.00 0.00 39.34 39.68 2x4s n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x4s n ASN 86 N -0.55 -3.87 -4.74 7.72 2.85 -0.22 -5.01 115.26 111.44 2x4s n ASN 86 Ca 0.21 -0.62 -0.27 0.00 -0.11 0.00 0.00 54.58 53.80 2x4s n ASN 86 Cb 0.23 -4.88 -0.06 0.00 1.24 0.00 0.00 39.78 36.30 2x4s n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2x4s s GLN 87 N -4.87 2.69 0.47 1.20 -0.21 -0.45 -5.05 119.66 113.44 2x4s s GLN 87 Ca 0.18 -0.96 -0.23 0.00 0.02 0.00 0.00 55.36 54.37 2x4s s GLN 87 Cb -0.02 -2.53 -0.07 0.00 1.00 0.00 0.00 33.01 31.39 2x4s s GLN 87 CO 0.69 0.48 1.25 -1.54 -2.12 0.00 0.00 175.29 174.05 2x4s s SER 88 N -3.00 5.95 0.00 5.90 1.04 -1.26 -4.78 113.70 117.54 2x4s s SER 88 Ca 0.29 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.24 2x4s s SER 88 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2x4s s SER 88 CO 0.21 -1.09 0.94 -1.84 0.98 0.00 0.00 173.24 172.45 2x4s n GLU 89 N -0.50 0.94 -0.12 4.02 0.28 -1.26 -3.67 120.64 120.34 2x4s n GLU 89 Ca 0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.82 2x4s n GLU 89 Cb 0.46 -1.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.22 2x4s n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x4s n ALA 90 N -0.50 0.99 -1.76 -1.84 0.00 -1.26 -4.82 120.51 111.33 2x4s n ALA 90 Ca 0.00 -0.80 -0.37 0.00 0.00 0.00 0.00 53.44 52.27 2x4s n ALA 90 Cb 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.27 2x4s n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4s s GLY 91 N -5.18 2.79 0.03 0.00 0.00 -1.24 -4.60 107.32 99.12 2x4s s GLY 91 Ca -0.34 1.08 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 2x4s s GLY 91 CO 0.54 1.52 0.56 -0.45 0.00 0.00 0.00 173.10 175.27 2x4s s SER 92 N -1.36 6.99 0.11 1.64 0.15 -1.26 -4.79 113.70 115.18 2x4s s SER 92 Ca 0.73 1.18 0.02 0.00 0.70 0.00 0.00 55.95 58.57 2x4s s SER 92 Cb -0.33 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2x4s s SER 92 CO 0.37 0.21 -0.07 -1.00 1.20 0.00 0.00 173.24 173.95 2x4s s HIS 93 N -0.71 0.95 0.05 3.44 3.76 -1.26 -5.00 115.29 116.51 2x4s s HIS 93 Ca 0.29 -0.88 0.09 0.00 -0.15 0.00 0.00 55.06 54.40 2x4s s HIS 93 Cb -0.19 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 2x4s s HIS 93 CO 0.17 -0.11 -0.25 0.99 -0.85 0.00 0.00 174.74 174.69 2x4s s THR 94 N -3.55 2.04 -0.01 1.30 2.01 -1.26 -1.96 115.64 114.20 2x4s s THR 94 Ca 0.12 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.83 2x4s s THR 94 Cb 0.05 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2x4s s THR 94 CO -0.04 0.32 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.32 2x4s s VAL 95 N -0.81 2.56 -0.01 3.82 1.01 -0.01 -1.37 120.40 125.59 2x4s s VAL 95 Ca 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2x4s s VAL 95 Cb -0.10 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2x4s s VAL 95 CO 0.02 0.52 -0.11 -1.10 0.00 0.00 0.00 175.10 174.43 2x4s s GLN 96 N -0.86 0.96 0.00 2.72 -0.21 -0.28 -1.13 119.66 120.86 2x4s s GLN 96 Ca 0.12 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.09 2x4s s GLN 96 Cb -0.10 -0.92 -0.00 0.00 1.00 0.00 0.00 33.01 32.98 2x4s s GLN 96 CO 0.01 0.23 -0.00 0.50 -2.12 0.00 0.00 175.29 173.91 2x4s s ARG 97 N -0.20 0.01 -0.13 2.91 3.52 -0.15 -0.95 118.95 123.97 2x4s s ARG 97 Ca 0.03 -0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.56 2x4s s ARG 97 Cb -0.05 0.00 0.06 0.00 -1.56 0.00 0.00 34.95 33.40 2x4s s ARG 97 CO -0.00 -0.00 0.27 1.41 -0.81 0.00 0.00 175.30 176.17 2x4s s MET 98 N -0.06 0.18 0.15 5.12 1.75 -0.09 -0.63 119.30 125.73 2x4s s MET 98 Ca -0.01 0.71 0.01 0.00 -1.25 0.00 0.00 55.69 55.16 2x4s s MET 98 Cb -0.00 -0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 2x4s s MET 98 CO -0.00 -0.25 0.00 1.52 -0.65 0.00 0.00 175.02 175.64 2x4s s TYR 99 N 2.10 1.08 -0.02 4.11 -0.85 -1.14 0.03 117.35 122.66 2x4s s TYR 99 Ca -0.02 -1.05 -0.07 0.00 -0.52 0.00 0.00 57.07 55.41 2x4s s TYR 99 Cb -0.11 -0.62 0.02 0.00 0.38 0.00 0.00 41.96 41.63 2x4s s TYR 99 CO -0.09 -0.27 0.33 0.41 -1.52 0.00 0.00 175.55 174.42 2x4s n GLY 100 N -0.18 0.40 3.27 5.49 0.00 -0.87 -1.16 105.19 112.14 2x4s n GLY 100 Ca -0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2x4s n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4s s ASP 102 N -2.83 1.75 0.11 0.00 1.01 0.33 -1.55 116.67 115.48 2x4s s ASP 102 Ca 0.04 -0.66 0.06 0.00 0.71 0.00 0.00 52.55 52.71 2x4s s ASP 102 Cb 0.03 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2x4s s ASP 102 CO -0.12 -0.09 -0.16 0.68 0.21 0.00 0.00 175.17 175.69 2x4s s VAL 103 N -1.44 1.41 0.00 -1.27 -7.23 -0.67 0.66 120.40 111.87 2x4s s VAL 103 Ca 0.00 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2x4s s VAL 103 Cb -0.09 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2x4s s VAL 103 CO 0.02 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 2x4s n GLY 104 N 0.84 -2.63 0.01 2.32 0.00 -0.21 -2.55 105.19 102.96 2x4s n GLY 104 Ca -0.18 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.63 2x4s n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x4s n SER 105 N -0.68 0.08 -0.97 1.61 7.64 -1.26 -2.53 113.62 117.52 2x4s n SER 105 Ca 0.00 0.51 0.09 0.00 1.01 0.00 0.00 58.87 60.48 2x4s n SER 105 Cb 0.00 -0.53 0.25 0.00 -1.01 0.00 0.00 64.21 62.92 2x4s n SER 105 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2x4s n ASP 106 N -1.58 2.83 -0.59 6.43 5.75 -1.26 -4.91 116.55 123.23 2x4s n ASP 106 Ca 0.06 -1.97 -0.07 0.00 -0.01 0.00 0.00 54.79 52.80 2x4s n ASP 106 Cb 0.32 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 2x4s n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4s n TRP 107 N 1.05 -0.03 -3.53 2.11 7.02 -1.05 -4.94 117.44 118.08 2x4s n TRP 107 Ca 0.18 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 2x4s n TRP 107 Cb 0.46 -2.43 -0.05 0.00 -2.42 0.00 0.00 31.31 26.87 2x4s n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4s s ARG 108 N -2.53 3.76 -0.03 -0.99 0.52 -1.26 -4.75 118.95 113.66 2x4s s ARG 108 Ca 0.00 0.17 -0.38 0.00 -0.52 0.00 0.00 55.73 55.00 2x4s s ARG 108 Cb 0.00 -2.84 -0.16 0.00 0.52 0.00 0.00 34.95 32.47 2x4s s ARG 108 CO 0.00 0.45 1.50 0.34 0.02 0.00 0.00 175.30 177.61 2x4s n PHE 109 N 0.33 1.75 -0.07 -0.53 7.35 -1.26 -1.05 117.46 123.98 2x4s n PHE 109 Ca -0.03 0.56 -0.09 0.00 -0.76 0.00 0.00 57.45 57.13 2x4s n PHE 109 Cb 0.52 -2.40 -0.03 0.00 0.35 0.00 0.00 39.48 37.93 2x4s n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4s n LEU 110 N 3.60 1.82 -3.52 -2.13 7.94 0.21 -4.75 117.00 120.16 2x4s n LEU 110 Ca 0.21 0.30 -0.10 0.00 -1.11 0.00 0.00 56.01 55.31 2x4s n LEU 110 Cb 0.18 -0.69 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 2x4s n LEU 110 CO 0.68 -0.28 0.50 0.00 -1.11 0.00 0.00 177.39 177.18 2x4s s ARG 111 N -2.76 1.24 0.09 1.96 1.70 -1.18 -4.97 118.95 115.02 2x4s s ARG 111 Ca -0.26 -0.52 0.03 0.00 -0.47 0.00 0.00 55.73 54.52 2x4s s ARG 111 Cb 0.04 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2x4s s ARG 111 CO 0.38 -0.55 -0.09 0.20 -1.08 0.00 0.00 175.30 174.16 2x4s s GLY 112 N -2.72 0.77 0.04 3.88 0.00 -1.26 -0.52 107.32 107.51 2x4s s GLY 112 Ca 0.04 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 2x4s s GLY 112 CO -0.08 -1.25 0.15 -2.52 0.00 0.00 0.00 173.10 169.40 2x4s s TYR 113 N -2.63 0.13 -0.29 1.90 -0.85 -0.91 -4.84 117.35 109.86 2x4s s TYR 113 Ca 0.05 -0.42 0.03 0.00 -0.52 0.00 0.00 57.07 56.21 2x4s s TYR 113 Cb -0.02 -0.09 0.18 0.00 0.38 0.00 0.00 41.96 42.42 2x4s s TYR 113 CO -0.01 -0.41 0.53 -1.58 -1.52 0.00 0.00 175.55 172.56 2x4s s HIS 114 N -2.74 -1.53 0.03 -3.49 2.46 -1.25 -2.05 115.29 106.72 2x4s s HIS 114 Ca -0.04 1.02 0.08 0.00 0.47 0.00 0.00 55.06 56.59 2x4s s HIS 114 Cb -0.00 0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.66 2x4s s HIS 114 CO -0.05 -0.99 -0.22 -0.65 -2.47 0.00 0.00 174.74 170.36 2x4s s GLN 115 N 2.75 1.56 0.20 2.88 -0.21 0.10 -0.34 119.66 126.60 2x4s s GLN 115 Ca 0.12 -0.93 0.10 0.00 0.02 0.00 0.00 55.36 54.67 2x4s s GLN 115 Cb -0.12 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.20 2x4s s GLN 115 CO -0.25 0.43 -0.11 0.71 -2.12 0.00 0.00 175.29 173.94 2x4s s TYR 116 N -0.73 2.57 -0.12 0.91 1.51 0.20 -0.91 117.35 120.77 2x4s s TYR 116 Ca 0.09 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 2x4s s TYR 116 Cb -0.09 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.57 2x4s s TYR 116 CO 0.01 0.54 0.32 0.00 -1.11 0.00 0.00 175.55 175.31 2x4s s ALA 117 N -1.83 -0.78 -0.25 3.71 0.00 -0.12 -2.00 121.76 120.48 2x4s s ALA 117 Ca 0.25 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 2x4s s ALA 117 Cb -0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 2x4s s ALA 117 CO 0.15 -0.18 0.01 -0.47 0.00 0.00 0.00 175.76 175.27 2x4s s TYR 118 N 0.64 3.05 -1.12 0.00 5.04 -0.56 -1.13 117.35 123.28 2x4s s TYR 118 Ca -0.04 -0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 53.66 2x4s s TYR 118 Cb -0.05 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2x4s s TYR 118 CO -0.04 -0.54 0.94 -0.25 -1.34 0.00 0.00 175.55 174.31 2x4s n ASP 119 N 4.83 -2.31 0.00 4.32 8.00 -0.47 -2.93 116.55 127.98 2x4s n ASP 119 Ca -0.17 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2x4s n ASP 119 Cb 0.50 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 2x4s n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4s n GLY 120 N -1.17 1.65 3.57 0.44 0.00 -1.26 -4.97 105.19 103.44 2x4s n GLY 120 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2x4s n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x4s s LYS 121 N -0.07 2.72 0.20 1.61 2.20 -1.15 -5.08 119.74 120.17 2x4s s LYS 121 Ca 0.00 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 54.73 2x4s s LYS 121 Cb 0.00 -2.57 -0.16 0.00 -1.51 0.00 0.00 37.83 33.60 2x4s s LYS 121 CO 0.00 0.66 1.06 -0.25 -0.36 0.00 0.00 175.35 176.46 2x4s n ASP 122 N 2.21 1.03 0.00 1.43 8.00 -1.26 -1.49 116.55 126.47 2x4s n ASP 122 Ca -0.18 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.47 2x4s n ASP 122 Cb 0.53 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2x4s n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4s n TYR 123 N 1.03 0.00 -3.87 1.24 9.36 -0.85 -4.69 117.16 119.39 2x4s n TYR 123 Ca 0.14 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.26 2x4s n TYR 123 Cb 0.26 -0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 38.84 2x4s n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4s s ILE 124 N -1.35 0.11 -0.15 2.97 2.07 -1.18 -0.95 121.20 122.71 2x4s s ILE 124 Ca -0.02 -0.89 -0.14 0.00 -1.41 0.00 0.00 60.65 58.19 2x4s s ILE 124 Cb 0.00 -0.81 0.04 0.00 0.13 0.00 0.00 42.46 41.83 2x4s s ILE 124 CO 0.03 -0.49 0.40 0.00 -1.91 0.00 0.00 174.94 172.98 2x4s s ALA 125 N -2.31 -1.00 0.12 1.50 0.00 -0.89 0.58 121.76 119.76 2x4s s ALA 125 Ca -0.07 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 2x4s s ALA 125 Cb -0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.35 2x4s s ALA 125 CO -0.03 -0.20 1.18 -1.17 0.00 0.00 0.00 175.76 175.54 2x4s s LEU 126 N 0.29 4.42 0.71 0.00 2.96 0.54 -1.36 118.68 126.23 2x4s s LEU 126 Ca -0.01 2.09 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2x4s s LEU 126 Cb -0.03 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2x4s s LEU 126 CO -0.00 -0.39 1.07 -0.54 -1.32 0.00 0.00 176.35 175.17 2x4s s LYS 127 N 0.40 2.82 0.47 1.98 1.02 0.34 -4.53 119.74 122.24 2x4s s LYS 127 Ca 0.55 0.81 0.31 0.00 0.02 0.00 0.00 55.97 57.66 2x4s s LYS 127 Cb -0.30 -1.99 1.42 0.00 -0.52 0.00 0.00 37.83 36.43 2x4s s LYS 127 CO 0.32 -1.14 1.69 0.93 -0.92 0.00 0.00 175.35 176.24 2x4s h GLU 128 N -0.74 0.13 -0.00 1.68 5.08 -1.89 0.11 114.58 118.95 2x4s h GLU 128 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2x4s h GLU 128 Cb 1.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2x4s h GLU 128 CO 0.59 0.09 -0.06 -0.40 -1.00 0.00 0.00 179.01 178.23 2x4s n ASP 129 N -4.46 0.13 -3.11 1.42 5.68 -1.26 -4.76 116.55 110.20 2x4s n ASP 129 Ca 0.33 -0.07 -0.23 0.00 -0.50 0.00 0.00 54.79 54.32 2x4s n ASP 129 Cb 1.33 -0.26 0.04 0.00 -1.14 0.00 0.00 41.12 41.10 2x4s n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2x4s n LEU 130 N -1.29 -2.84 -0.01 -2.12 4.77 0.38 -4.83 117.00 111.07 2x4s n LEU 130 Ca 0.12 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2x4s n LEU 130 Cb 0.28 -2.98 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 2x4s n LEU 130 CO 0.25 0.32 0.19 0.54 -1.33 0.00 0.00 177.39 177.36 2x4s n ARG 131 N -4.21 0.00 -3.49 3.23 1.74 -1.26 -4.56 116.66 108.11 2x4s n ARG 131 Ca -0.09 -0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 56.46 2x4s n ARG 131 Cb 0.61 -0.38 -0.04 0.00 -1.02 0.00 0.00 32.46 31.63 2x4s n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x4s s SER 132 N -0.01 -0.59 0.20 0.55 1.04 -1.26 -5.02 113.70 108.60 2x4s s SER 132 Ca 0.00 0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.92 2x4s s SER 132 Cb 0.00 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2x4s s SER 132 CO 0.00 -0.72 -0.13 0.26 0.98 0.00 0.00 173.24 173.63 2x4s s TRP 133 N -2.21 2.53 -0.32 5.02 0.52 -1.26 -0.51 118.94 122.71 2x4s s TRP 133 Ca -0.05 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2x4s s TRP 133 Cb -0.00 -1.22 0.09 0.00 -1.15 0.00 0.00 33.47 31.19 2x4s s TRP 133 CO 0.00 0.53 0.05 0.99 0.02 0.00 0.00 176.95 178.54 2x4s s THR 134 N -1.79 1.75 0.22 2.01 2.01 -0.47 -4.89 115.64 114.48 2x4s s THR 134 Ca 0.25 -1.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.16 2x4s s THR 134 Cb -0.08 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.09 2x4s s THR 134 CO 0.14 -0.56 0.68 0.00 -0.69 0.00 0.00 174.62 174.19 2x4s s ALA 135 N 1.19 3.44 -0.31 7.40 0.00 -1.26 -2.10 121.76 130.12 2x4s s ALA 135 Ca 0.08 0.06 0.22 0.00 0.00 0.00 0.00 51.96 52.32 2x4s s ALA 135 Cb -0.18 -2.73 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 2x4s s ALA 135 CO -0.13 0.37 0.83 0.00 0.00 0.00 0.00 175.76 176.82 2x4s n ALA 136 N 0.52 3.00 -3.00 0.00 0.00 -0.13 -4.92 120.51 115.98 2x4s n ALA 136 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2x4s n ALA 136 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2x4s n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x4s n ASP 137 N -2.25 0.00 0.27 0.00 5.68 -1.26 -5.03 116.55 113.96 2x4s n ASP 137 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.17 2x4s n ASP 137 Cb 0.51 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 2x4s n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4s h MET 138 N 0.00 -0.69 -0.96 0.11 1.85 -1.99 -2.45 114.93 110.80 2x4s h MET 138 Ca 0.00 0.05 0.20 0.00 -0.61 0.00 0.00 59.70 59.34 2x4s h MET 138 Cb 0.00 0.16 -0.09 0.00 0.43 0.00 0.00 31.60 32.10 2x4s h MET 138 CO 0.00 -0.46 0.61 0.00 -0.40 0.00 0.00 176.91 176.67 2x4s h ALA 139 N -1.54 1.96 -0.21 0.39 0.00 -1.98 0.95 119.26 118.83 2x4s h ALA 139 Ca -0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2x4s h ALA 139 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2x4s h ALA 139 CO 0.12 -0.29 0.06 0.00 0.00 0.00 0.00 179.25 179.13 2x4s h ALA 140 N 1.62 0.22 -0.79 0.00 0.00 -1.85 -2.90 119.26 115.56 2x4s h ALA 140 Ca 0.53 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.62 2x4s h ALA 140 Cb 1.06 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2x4s h ALA 140 CO -0.28 -0.37 0.34 1.96 0.00 0.00 0.00 179.25 180.91 2x4s h GLN 141 N 0.15 0.47 -0.40 0.00 1.08 -0.31 0.16 115.11 116.26 2x4s h GLN 141 Ca 0.09 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 2x4s h GLN 141 Cb 0.08 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 2x4s h GLN 141 CO -0.11 0.31 0.06 1.15 -0.95 0.00 0.00 178.83 179.29 2x4s h THR 142 N 0.49 0.76 -0.79 -0.54 2.02 -1.38 -1.12 112.91 112.35 2x4s h THR 142 Ca 0.44 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.58 2x4s h THR 142 Cb 0.67 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2x4s h THR 142 CO -0.40 0.03 0.51 0.74 0.37 0.00 0.00 175.52 176.77 2x4s h THR 143 N 0.18 1.14 -0.33 3.16 2.02 -0.95 -1.34 112.91 116.79 2x4s h THR 143 Ca 0.20 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 67.10 2x4s h THR 143 Cb 0.25 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.65 2x4s h THR 143 CO -0.28 0.18 -0.09 0.50 0.37 0.00 0.00 175.52 176.21 2x4s h LYS 144 N 1.01 -0.01 0.53 6.66 3.64 0.12 -0.92 116.57 127.59 2x4s h LYS 144 Ca 0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2x4s h LYS 144 Cb -0.03 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2x4s h LYS 144 CO -0.10 -0.01 -0.25 0.45 -2.27 0.00 0.00 179.45 177.28 2x4s h HIS 145 N -0.01 -0.66 -1.05 1.91 3.86 -1.02 -1.90 115.15 116.29 2x4s h HIS 145 Ca 0.16 -0.02 0.27 0.00 -1.16 0.00 0.00 60.37 59.63 2x4s h HIS 145 Cb 0.25 0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.85 2x4s h HIS 145 CO -0.31 -0.38 0.69 -0.22 0.86 0.00 0.00 177.93 178.57 2x4s h LYS 146 N -0.78 0.31 0.00 2.45 3.64 -0.68 0.17 116.57 121.69 2x4s h LYS 146 Ca -0.07 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 2x4s h LYS 146 Cb 0.57 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2x4s h LYS 146 CO 0.12 0.21 -1.22 -1.49 -2.27 0.00 0.00 179.45 174.79 2x4s h TRP 147 N 0.32 0.00 0.09 1.91 6.55 -1.12 -2.11 115.95 121.59 2x4s h TRP 147 Ca 0.58 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.41 2x4s h TRP 147 Cb 1.61 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.91 2x4s h TRP 147 CO -0.00 0.64 -0.04 0.93 -1.05 0.00 0.00 178.44 178.91 2x4s h GLU 148 N 0.00 -0.12 -0.80 0.49 5.08 0.09 0.35 114.58 119.67 2x4s h GLU 148 Ca -0.13 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2x4s h GLU 148 Cb 1.60 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.82 2x4s h GLU 148 CO 0.06 0.15 0.49 0.00 -1.00 0.00 0.00 179.01 178.71 2x4s h ALA 149 N 0.49 1.09 0.00 3.43 0.00 -1.10 -0.82 119.26 122.35 2x4s h ALA 149 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x4s h ALA 149 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2x4s h ALA 149 CO 0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2x4s h ALA 150 N 1.38 1.00 -2.39 0.00 0.00 -1.11 -3.46 119.26 114.67 2x4s h ALA 150 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 2x4s h ALA 150 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2x4s h ALA 150 CO -0.16 0.00 -0.42 0.72 0.00 0.00 0.00 179.25 179.39 2x4s n HIS 151 N -2.61 -0.82 -0.24 0.00 -0.00 -0.05 -4.92 115.22 106.58 2x4s n HIS 151 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.72 57.73 2x4s n HIS 151 Cb 0.20 -3.34 0.09 0.00 -0.00 0.00 0.00 29.99 26.94 2x4s n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4s h VAL 152 N -0.07 1.03 -0.83 1.59 2.07 -1.37 -2.87 116.25 115.80 2x4s h VAL 152 Ca -0.39 -0.27 0.20 0.00 0.82 0.00 0.00 66.70 67.07 2x4s h VAL 152 Cb 1.28 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.11 2x4s h VAL 152 CO 0.45 0.14 0.24 0.00 0.02 0.00 0.00 177.57 178.43 2x4s h ALA 153 N 1.33 1.19 -0.47 1.67 0.00 -1.90 0.16 119.26 121.23 2x4s h ALA 153 Ca 0.30 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 2x4s h ALA 153 Cb 0.11 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2x4s h ALA 153 CO -0.15 -0.39 -0.09 0.93 0.00 0.00 0.00 179.25 179.55 2x4s h GLU 154 N 0.27 0.84 -0.56 0.00 3.07 -1.75 -1.25 114.58 115.20 2x4s h GLU 154 Ca 0.50 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 2x4s h GLU 154 Cb 0.95 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2x4s h GLU 154 CO -0.58 0.90 0.22 1.96 -1.40 0.00 0.00 179.01 180.11 2x4s h GLN 155 N 0.76 0.84 0.15 2.33 4.20 -0.74 -2.14 115.11 120.52 2x4s h GLN 155 Ca 0.13 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2x4s h GLN 155 Cb 0.58 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2x4s h GLN 155 CO 0.04 0.73 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.78 2x4s h LEU 156 N 0.77 -0.17 -1.61 1.46 3.38 -1.06 -2.55 115.31 115.52 2x4s h LEU 156 Ca 0.19 -0.21 0.30 0.00 0.09 0.00 0.00 57.88 58.24 2x4s h LEU 156 Cb 0.20 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 2x4s h LEU 156 CO -0.02 0.12 0.74 -0.09 0.09 0.00 0.00 178.44 179.28 2x4s h ARG 157 N -0.48 0.22 -0.01 1.13 2.43 -1.13 0.32 114.38 116.87 2x4s h ARG 157 Ca -0.02 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 2x4s h ARG 157 Cb 0.37 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2x4s h ARG 157 CO 0.03 0.15 -0.97 0.00 -1.51 0.00 0.00 179.97 177.67 2x4s h ALA 158 N 1.54 0.29 0.06 2.80 0.00 -1.19 -2.72 119.26 120.04 2x4s h ALA 158 Ca 0.58 -0.70 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 2x4s h ALA 158 Cb 1.81 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.63 2x4s h ALA 158 CO -0.19 0.77 -1.11 -0.92 0.00 0.00 0.00 179.25 177.80 2x4s h TYR 159 N 0.29 0.88 0.00 0.00 3.20 -0.46 -1.81 116.97 119.07 2x4s h TYR 159 Ca -0.09 -0.52 -0.02 0.00 3.14 0.00 0.00 58.73 61.24 2x4s h TYR 159 Cb 1.61 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.79 2x4s h TYR 159 CO 0.07 1.36 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.80 2x4s h LEU 160 N 0.28 0.00 -1.52 2.82 3.38 -0.57 -1.16 115.31 118.55 2x4s h LEU 160 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2x4s h LEU 160 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2x4s h LEU 160 CO 0.21 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.21 2x4s n GLU 161 N -3.29 0.60 0.00 1.13 1.02 -1.03 -4.09 120.64 114.99 2x4s n GLU 161 Ca -0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 2x4s n GLU 161 Cb 0.30 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2x4s n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x4s n GLY 162 N 0.54 0.30 0.36 0.62 0.00 -0.68 -4.74 105.19 101.59 2x4s n GLY 162 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2x4s n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x4s h THR 163 N 0.00 1.18 0.65 2.61 2.02 -1.69 -0.02 112.91 117.66 2x4s h THR 163 Ca 0.00 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2x4s h THR 163 Cb 0.00 -0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.24 2x4s h THR 163 CO 0.00 0.23 -0.31 0.00 0.37 0.00 0.00 175.52 175.81 2x4s h VAL 165 N -1.16 1.20 0.08 0.00 -1.51 -1.71 0.12 116.25 113.27 2x4s h VAL 165 Ca -0.09 -0.47 -0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2x4s h VAL 165 Cb 0.70 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2x4s h VAL 165 CO 0.15 0.22 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.54 2x4s h GLU 166 N 0.96 -0.16 0.00 5.19 4.81 -0.84 -1.88 114.58 122.66 2x4s h GLU 166 Ca 0.25 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2x4s h GLU 166 Cb -0.01 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2x4s h GLU 166 CO -0.04 -0.10 -0.20 -1.49 -0.73 0.00 0.00 179.01 176.44 2x4s h TRP 167 N -0.16 0.00 0.51 0.92 4.06 -0.16 -1.78 115.95 119.35 2x4s h TRP 167 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 2x4s h TRP 167 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2x4s h TRP 167 CO -0.12 0.20 -0.27 1.25 -3.56 0.00 0.00 178.44 175.95 2x4s h LEU 168 N 0.00 -0.64 -1.30 -4.49 5.85 -0.71 -0.11 115.31 113.90 2x4s h LEU 168 Ca -0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2x4s h LEU 168 Cb 0.43 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2x4s h LEU 168 CO 0.03 -0.44 0.53 0.03 -0.34 0.00 0.00 178.44 178.25 2x4s h ARG 169 N -0.72 0.77 -0.11 1.25 3.08 -0.77 -1.11 114.38 116.76 2x4s h ARG 169 Ca -0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2x4s h ARG 169 Cb 0.56 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2x4s h ARG 169 CO 0.10 0.51 0.06 -0.09 -1.07 0.00 0.00 179.97 179.48 2x4s h ARG 170 N 0.79 0.15 -0.50 0.04 2.43 -0.96 -2.90 114.38 113.43 2x4s h ARG 170 Ca 0.37 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2x4s h ARG 170 Cb 0.40 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2x4s h ARG 170 CO -0.15 0.15 0.09 1.88 -1.51 0.00 0.00 179.97 180.43 2x4s h TYR 171 N 0.10 0.80 -0.01 2.20 0.05 -0.25 -1.36 116.97 118.50 2x4s h TYR 171 Ca 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2x4s h TYR 171 Cb 0.04 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 2x4s h TYR 171 CO -0.05 0.69 0.01 -0.07 -1.05 0.00 0.00 178.16 177.68 2x4s h LEU 172 N 0.74 0.00 0.08 3.88 3.38 -1.03 0.16 115.31 122.51 2x4s h LEU 172 Ca 0.16 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 2x4s h LEU 172 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2x4s h LEU 172 CO 0.00 0.00 -1.61 -0.33 0.09 0.00 0.00 178.44 176.60 2x4s h GLU 173 N 0.00 0.16 -0.50 1.13 5.08 -1.35 -3.08 114.58 116.02 2x4s h GLU 173 Ca 0.00 -0.28 0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2x4s h GLU 173 Cb 0.02 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 2x4s h GLU 173 CO -0.00 1.13 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.17 2x4s h ASN 174 N -0.41 -0.34 -1.23 1.42 4.21 -0.62 -2.54 115.58 116.07 2x4s h ASN 174 Ca -0.37 0.14 -0.64 0.00 1.21 0.00 0.00 56.30 56.64 2x4s h ASN 174 Cb 1.71 0.26 -0.36 0.00 -1.12 0.00 0.00 38.32 38.81 2x4s h ASN 174 CO -0.03 -0.12 0.02 0.61 -1.29 0.00 0.00 177.43 176.61 2x4s n GLY 175 N -1.34 6.01 0.32 2.83 0.00 0.50 -4.82 105.19 108.69 2x4s n GLY 175 Ca 0.05 -2.56 0.01 0.00 0.00 0.00 0.00 46.02 43.52 2x4s n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x4s h LYS 176 N 2.38 0.95 0.00 1.61 2.10 -1.36 1.68 116.57 123.93 2x4s h LYS 176 Ca 0.46 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 59.01 2x4s h LYS 176 Cb 0.91 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 2x4s h LYS 176 CO 1.14 0.63 -0.20 0.93 -2.00 0.00 0.00 179.45 179.94 2x4s h GLU 177 N 0.98 0.00 0.00 0.07 5.08 -1.87 -1.22 114.58 117.62 2x4s h GLU 177 Ca 0.37 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 2x4s h GLU 177 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2x4s h GLU 177 CO -0.17 0.20 -1.17 1.15 -1.00 0.00 0.00 179.01 178.03 2x4s h THR 178 N 0.00 0.78 0.00 1.13 2.02 -1.34 -3.38 112.91 112.11 2x4s h THR 178 Ca -0.00 -2.01 -0.19 0.00 0.77 0.00 0.00 66.41 64.97 2x4s h THR 178 Cb 0.60 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 2x4s h THR 178 CO 0.03 0.26 -1.06 -0.07 0.37 0.00 0.00 175.52 175.05 2x4s h LEU 179 N -1.00 0.00 -3.09 2.58 3.38 0.24 -3.30 115.31 114.12 2x4s h LEU 179 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2x4s h LEU 179 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2x4s h LEU 179 CO -0.18 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2x4s n GLN 180 N -3.21 3.44 -2.73 1.13 6.02 -0.46 -4.94 117.38 116.64 2x4s n GLN 180 Ca -0.04 -2.74 -0.28 0.00 -0.01 0.00 0.00 57.00 53.94 2x4s n GLN 180 Cb 0.90 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 2x4s n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2x4s s ARG 181 N -1.78 3.57 -0.14 -1.09 1.70 -1.24 -5.00 118.95 114.97 2x4s s ARG 181 Ca 0.45 0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.90 2x4s s ARG 181 Cb 0.29 -2.40 0.04 0.00 -0.57 0.00 0.00 34.95 32.31 2x4s s ARG 181 CO 0.22 -0.15 -0.04 0.95 -1.08 0.00 0.00 175.30 175.20 2x4s s THR 182 N -2.65 0.86 -0.48 4.99 -4.23 -1.26 -4.70 115.64 108.17 2x4s s THR 182 Ca 0.47 -0.38 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 2x4s s THR 182 Cb -0.10 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.73 2x4s s THR 182 CO 0.42 0.17 0.73 -1.81 -0.54 0.00 0.00 174.62 173.59 2x4s s ASP 183 N 1.75 6.32 0.66 3.99 1.01 0.16 -4.81 116.67 125.76 2x4s s ASP 183 Ca 0.02 -0.42 -0.18 0.00 0.71 0.00 0.00 52.55 52.69 2x4s s ASP 183 Cb -0.14 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 2x4s s ASP 183 CO -0.07 -0.92 1.27 0.00 0.21 0.00 0.00 175.17 175.65 2x4s s ALA 184 N 3.09 2.35 0.53 5.23 0.00 -1.26 -0.79 121.76 130.91 2x4s s ALA 184 Ca 0.24 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 2x4s s ALA 184 Cb -0.14 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 2x4s s ALA 184 CO 0.18 -1.60 1.19 -1.25 0.00 0.00 0.00 175.76 174.29 2x4s s PRO 185 N -3.47 3.38 -0.47 0.00 0.04 -1.26 -4.42 135.00 128.80 2x4s s PRO 185 Ca 0.80 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 63.50 2x4s s PRO 185 Cb -0.35 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.10 2x4s s PRO 185 CO 0.40 -0.87 0.39 0.15 0.04 0.00 0.00 177.00 177.10 2x4s s LYS 186 N -3.03 2.94 0.05 4.56 1.02 0.45 -4.80 119.74 120.93 2x4s s LYS 186 Ca 0.70 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2x4s s LYS 186 Cb -0.29 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 2x4s s LYS 186 CO 0.34 -1.04 0.22 0.95 -0.92 0.00 0.00 175.35 174.90 2x4s s THR 187 N 1.62 5.38 -0.04 2.17 -4.23 -1.25 -1.43 115.64 117.85 2x4s s THR 187 Ca 0.04 -0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 59.94 2x4s s THR 187 Cb -0.24 -3.61 0.10 0.00 1.34 0.00 0.00 72.50 70.09 2x4s s THR 187 CO 0.06 0.17 0.89 -1.38 -0.54 0.00 0.00 174.62 173.81 2x4s s HIS 188 N -1.49 -0.39 0.31 3.99 -3.43 -0.84 -4.99 115.29 108.46 2x4s s HIS 188 Ca 0.34 0.40 0.07 0.00 -0.80 0.00 0.00 55.06 55.07 2x4s s HIS 188 Cb -0.13 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 2x4s s HIS 188 CO 0.26 -0.51 0.25 -1.64 -2.00 0.00 0.00 174.74 171.10 2x4s s MET 189 N -2.47 2.75 0.04 -0.38 -1.94 -1.26 -1.24 119.30 114.80 2x4s s MET 189 Ca 0.02 -1.25 0.01 0.00 -1.71 0.00 0.00 55.69 52.76 2x4s s MET 189 Cb -0.01 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2x4s s MET 189 CO -0.05 0.18 -0.05 0.95 -0.01 0.00 0.00 175.02 176.04 2x4s s THR 190 N -2.27 0.35 -0.09 2.05 -4.23 -0.83 -4.99 115.64 105.63 2x4s s THR 190 Ca 0.38 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2x4s s THR 190 Cb -0.06 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 72.99 2x4s s THR 190 CO 0.26 -0.61 -0.15 -2.28 -0.54 0.00 0.00 174.62 171.30 2x4s s HIS 191 N -2.19 1.83 -0.05 3.99 2.46 -1.26 -2.08 115.29 117.98 2x4s s HIS 191 Ca -0.06 -0.77 0.00 0.00 0.47 0.00 0.00 55.06 54.70 2x4s s HIS 191 Cb -0.05 -1.31 0.02 0.00 -0.13 0.00 0.00 32.58 31.12 2x4s s HIS 191 CO -0.03 -0.39 -0.03 -1.01 -2.47 0.00 0.00 174.74 170.82 2x4s s HIS 192 N 0.79 0.68 -0.33 3.88 3.76 -0.56 -4.97 115.29 118.53 2x4s s HIS 192 Ca -0.11 -0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 2x4s s HIS 192 Cb -0.16 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 32.88 2x4s s HIS 192 CO 0.02 -0.22 1.17 0.00 -0.85 0.00 0.00 174.74 174.86 2x4s s ALA 193 N 1.20 3.41 -0.13 -1.40 0.00 -1.26 0.15 121.76 123.73 2x4s s ALA 193 Ca -0.07 -0.04 0.16 0.00 0.00 0.00 0.00 51.96 52.02 2x4s s ALA 193 Cb -0.14 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 2x4s s ALA 193 CO -0.02 -1.67 1.06 0.28 0.00 0.00 0.00 175.76 175.41 2x4s h VAL 194 N 5.87 0.64 -1.70 0.00 2.07 -1.84 -3.48 116.25 117.81 2x4s h VAL 194 Ca -0.23 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2x4s h VAL 194 Cb 1.07 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2x4s h VAL 194 CO 1.04 0.36 0.00 -1.54 0.02 0.00 0.00 177.57 177.46 2x4s n SER 195 N -3.01 0.00 0.15 0.57 3.41 -0.99 -4.99 113.62 108.75 2x4s n SER 195 Ca -0.05 -0.70 0.07 0.00 -0.26 0.00 0.00 58.87 57.93 2x4s n SER 195 Cb 0.80 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.80 2x4s n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2x4s h ASP 196 N 0.00 0.00 0.00 4.04 2.03 -2.02 -3.34 116.42 117.13 2x4s h ASP 196 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2x4s h ASP 196 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2x4s h ASP 196 CO 0.00 0.23 -0.69 0.00 -1.03 0.00 0.00 179.24 177.75 2x4s n HIS 197 N -3.02 0.00 -4.56 4.15 1.44 -1.26 -4.86 115.22 107.10 2x4s n HIS 197 Ca 0.01 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 2x4s n HIS 197 Cb 0.64 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.56 2x4s n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4s s GLU 198 N -2.14 1.29 0.02 -1.40 2.02 -1.25 0.63 118.70 117.86 2x4s s GLU 198 Ca 0.02 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.10 2x4s s GLU 198 Cb 0.08 -1.40 -0.01 0.00 0.10 0.00 0.00 34.13 32.89 2x4s s GLU 198 CO 0.44 0.35 -0.06 0.00 0.02 0.00 0.00 175.26 176.01 2x4s s ALA 199 N -0.84 0.43 -0.12 5.21 0.00 0.56 -2.35 121.76 124.65 2x4s s ALA 199 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 2x4s s ALA 199 Cb -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2x4s s ALA 199 CO 0.02 0.03 0.28 0.99 0.00 0.00 0.00 175.76 177.08 2x4s s THR 200 N -0.68 5.29 -0.26 0.00 2.01 0.41 0.51 115.64 122.93 2x4s s THR 200 Ca -0.04 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 2x4s s THR 200 Cb -0.05 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.87 2x4s s THR 200 CO -0.00 0.48 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.65 2x4s s LEU 201 N -0.21 3.33 -0.14 4.42 1.43 -0.19 -1.50 118.68 125.82 2x4s s LEU 201 Ca 0.17 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2x4s s LEU 201 Cb -0.13 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2x4s s LEU 201 CO 0.06 -0.12 -0.08 -0.60 0.23 0.00 0.00 176.35 175.84 2x4s s ARG 202 N 1.43 3.52 -0.24 1.70 3.52 -0.88 -1.61 118.95 126.39 2x4s s ARG 202 Ca 0.03 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 2x4s s ARG 202 Cb -0.16 -2.78 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 2x4s s ARG 202 CO -0.02 0.24 0.15 0.00 -0.81 0.00 0.00 175.30 174.86 2x4s s TRP 204 N 1.05 2.93 -0.18 0.00 0.52 -0.37 -1.48 118.94 121.42 2x4s s TRP 204 Ca 0.07 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.64 2x4s s TRP 204 Cb -0.14 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2x4s s TRP 204 CO 0.04 -0.21 -0.19 0.00 0.02 0.00 0.00 176.95 176.61 2x4s s ALA 205 N 0.61 2.36 0.23 0.98 0.00 -0.23 -1.98 121.76 123.72 2x4s s ALA 205 Ca -0.04 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 50.80 2x4s s ALA 205 Cb -0.15 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2x4s s ALA 205 CO 0.03 -0.34 -0.17 -0.51 0.00 0.00 0.00 175.76 174.77 2x4s s LEU 206 N 1.27 2.56 -0.84 0.00 1.43 -0.52 -1.71 118.68 120.87 2x4s s LEU 206 Ca 0.04 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2x4s s LEU 206 Cb -0.13 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2x4s s LEU 206 CO -0.12 -0.08 0.03 -0.24 0.23 0.00 0.00 176.35 176.17 2x4s n SER 207 N -0.39 0.28 -4.97 2.29 2.88 -1.08 -0.41 113.62 112.22 2x4s n SER 207 Ca -0.07 -0.71 -0.21 0.00 -1.33 0.00 0.00 58.87 56.54 2x4s n SER 207 Cb 0.60 -0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2x4s n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4s s PHE 208 N -3.81 3.22 -0.28 0.66 -0.12 -0.81 -4.70 117.98 112.14 2x4s s PHE 208 Ca 0.02 0.02 -0.21 0.00 -0.05 0.00 0.00 56.93 56.71 2x4s s PHE 208 Cb -0.01 -2.07 0.10 0.00 -0.63 0.00 0.00 43.02 40.40 2x4s s PHE 208 CO 0.55 -0.10 0.83 -0.47 -0.05 0.00 0.00 175.22 175.98 2x4s s TYR 209 N -2.32 -0.75 0.99 3.49 5.04 0.03 -0.19 117.35 123.65 2x4s s TYR 209 Ca 0.45 1.67 -0.17 0.00 -2.44 0.00 0.00 57.07 56.59 2x4s s TYR 209 Cb -0.10 0.40 0.24 0.00 0.35 0.00 0.00 41.96 42.86 2x4s s TYR 209 CO 0.34 -0.37 0.98 -2.30 -1.34 0.00 0.00 175.55 172.86 2x4s n PRO 210 N 3.15 -2.41 0.03 4.97 -0.02 -1.26 0.40 135.00 139.85 2x4s n PRO 210 Ca -0.16 -1.55 -0.06 0.00 -2.02 0.00 0.00 63.50 59.71 2x4s n PRO 210 Cb 0.57 -1.34 0.14 0.00 -0.02 0.00 0.00 33.50 32.85 2x4s n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4s h ALA 211 N -2.44 0.92 -2.19 3.55 0.00 -1.97 -3.45 119.26 113.69 2x4s h ALA 211 Ca -0.35 -0.44 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 2x4s h ALA 211 Cb 1.05 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.80 2x4s h ALA 211 CO 0.24 0.63 0.80 -1.91 0.00 0.00 0.00 179.25 179.01 2x4s n GLU 212 N -4.02 2.06 -3.48 0.00 4.07 -1.26 -4.96 120.64 113.05 2x4s n GLU 212 Ca -0.02 0.74 -0.15 0.00 -0.06 0.00 0.00 57.16 57.68 2x4s n GLU 212 Cb 0.51 -2.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.34 2x4s n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4s s ILE 213 N 1.19 0.00 -0.17 6.31 2.07 -1.26 -4.64 121.20 124.71 2x4s s ILE 213 Ca 0.81 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.05 2x4s s ILE 213 Cb -0.71 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.92 2x4s s ILE 213 CO 0.40 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.44 2x4s s THR 214 N -2.37 1.46 -0.16 4.00 2.01 0.25 -4.96 115.64 115.85 2x4s s THR 214 Ca -0.05 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 2x4s s THR 214 Cb -0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 2x4s s THR 214 CO -0.01 0.28 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.41 2x4s s LEU 215 N 1.50 3.30 0.07 4.42 1.43 -1.26 -0.30 118.68 127.84 2x4s s LEU 215 Ca 0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2x4s s LEU 215 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2x4s s LEU 215 CO -0.09 0.16 -0.05 0.42 0.23 0.00 0.00 176.35 177.03 2x4s s THR 216 N 0.41 0.42 -0.07 5.49 -4.23 -0.63 -4.98 115.64 112.05 2x4s s THR 216 Ca -0.03 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2x4s s THR 216 Cb -0.14 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 2x4s s THR 216 CO 0.03 -0.90 -0.20 0.26 -0.54 0.00 0.00 174.62 173.26 2x4s s TRP 217 N -3.60 2.57 -0.21 3.99 0.52 -1.26 -1.03 118.94 119.93 2x4s s TRP 217 Ca 0.07 -0.60 0.01 0.00 0.02 0.00 0.00 56.10 55.60 2x4s s TRP 217 Cb 0.05 -1.66 0.04 0.00 -1.15 0.00 0.00 33.47 30.76 2x4s s TRP 217 CO -0.07 -0.14 -0.10 -0.65 0.02 0.00 0.00 176.95 176.01 2x4s s GLN 218 N -0.17 2.06 -0.42 4.98 -0.21 0.76 -0.90 119.66 125.76 2x4s s GLN 218 Ca -0.02 -0.89 -0.23 0.00 0.02 0.00 0.00 55.36 54.24 2x4s s GLN 218 Cb -0.14 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.42 2x4s s GLN 218 CO 0.04 -0.44 0.76 0.50 -2.12 0.00 0.00 175.29 174.03 2x4s s ARG 219 N 1.37 3.51 0.00 2.91 3.52 -0.64 -0.97 118.95 128.65 2x4s s ARG 219 Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2x4s s ARG 219 Cb -0.17 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2x4s s ARG 219 CO -0.08 -1.01 0.00 -0.25 -0.81 0.00 0.00 175.30 173.15 2x4s n ASP 220 N 6.56 0.00 0.00 -2.12 8.00 0.22 -1.63 116.55 127.59 2x4s n ASP 220 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2x4s n ASP 220 Cb 0.48 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2x4s n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4s n GLY 221 N -1.97 0.61 3.75 0.44 0.00 -1.25 -5.11 105.19 101.66 2x4s n GLY 221 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2x4s n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4s s GLU 222 N 0.00 4.16 -0.06 1.61 2.02 -0.64 -4.91 118.70 120.88 2x4s s GLU 222 Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 2x4s s GLU 222 Cb 0.00 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 2x4s s GLU 222 CO 0.00 0.32 1.75 -0.51 0.02 0.00 0.00 175.26 176.84 2x4s s ASP 223 N 0.23 6.53 -0.08 -0.19 1.01 -1.26 -1.62 116.67 121.30 2x4s s ASP 223 Ca 0.16 2.26 0.01 0.00 0.71 0.00 0.00 52.55 55.70 2x4s s ASP 223 Cb -0.13 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.41 2x4s s ASP 223 CO 0.04 -1.04 1.07 0.00 0.21 0.00 0.00 175.17 175.45 2x4s n GLN 224 N 7.36 1.38 0.30 8.23 1.13 -0.08 -4.54 117.38 131.15 2x4s n GLN 224 Ca 0.19 -0.59 0.10 0.00 -1.94 0.00 0.00 57.00 54.76 2x4s n GLN 224 Cb 0.43 -1.34 0.56 0.00 0.11 0.00 0.00 30.24 30.00 2x4s n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2x4s h THR 225 N 0.34 0.00 0.00 5.09 1.35 -1.89 0.76 112.91 118.56 2x4s h THR 225 Ca 0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.83 2x4s h THR 225 Cb 1.22 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2x4s h THR 225 CO 0.18 0.00 -1.50 0.00 -0.25 0.00 0.00 175.52 173.96 2x4s n GLN 226 N -2.62 0.63 -1.23 4.72 6.02 -1.26 -4.27 117.38 119.37 2x4s n GLN 226 Ca -0.01 0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 2x4s n GLN 226 Cb 0.49 -1.74 0.13 0.00 1.02 0.00 0.00 30.24 30.14 2x4s n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2x4s n ASP 227 N -2.72 3.40 -4.10 1.08 8.00 0.26 -4.98 116.55 117.49 2x4s n ASP 227 Ca -0.09 -3.82 -0.30 0.00 0.71 0.00 0.00 54.79 51.29 2x4s n ASP 227 Cb 0.75 -0.50 -0.17 0.00 -0.02 0.00 0.00 41.12 41.19 2x4s n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4s s THR 228 N -3.85 1.68 -0.17 -3.53 2.01 -0.65 -4.64 115.64 106.48 2x4s s THR 228 Ca 0.46 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 2x4s s THR 228 Cb 0.40 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2x4s s THR 228 CO -0.01 0.48 0.79 -0.70 -0.69 0.00 0.00 174.62 174.49 2x4s s GLU 229 N 0.90 4.28 -0.16 4.92 2.12 0.05 -4.91 118.70 125.91 2x4s s GLU 229 Ca -0.07 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.18 2x4s s GLU 229 Cb -0.15 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.71 2x4s s GLU 229 CO -0.01 -0.31 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.22 2x4s s LEU 230 N 2.09 1.26 0.47 2.70 2.96 -1.26 -0.63 118.68 126.27 2x4s s LEU 230 Ca 0.36 -0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 2x4s s LEU 230 Cb -0.16 -0.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.75 2x4s s LEU 230 CO 0.12 -0.23 0.91 0.68 -1.32 0.00 0.00 176.35 176.51 2x4s s VAL 231 N 1.78 4.61 0.42 1.68 -7.23 -1.18 -5.04 120.40 115.45 2x4s s VAL 231 Ca 0.01 1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 60.95 2x4s s VAL 231 Cb -0.15 -3.72 -0.09 0.00 0.56 0.00 0.00 36.38 32.98 2x4s s VAL 231 CO -0.07 -0.62 1.40 -1.61 -0.31 0.00 0.00 175.10 173.89 2x4s s GLU 232 N -3.96 3.86 0.17 4.82 2.02 -1.26 -4.70 118.70 119.65 2x4s s GLU 232 Ca 0.56 2.36 -0.33 0.00 0.02 0.00 0.00 54.97 57.59 2x4s s GLU 232 Cb -0.10 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.25 2x4s s GLU 232 CO 0.31 -0.65 1.65 2.41 0.02 0.00 0.00 175.26 179.00 2x4s n THR 233 N 0.05 0.04 -4.37 3.63 -1.04 -1.26 -4.86 114.28 106.47 2x4s n THR 233 Ca 0.04 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.79 2x4s n THR 233 Cb 0.42 -1.74 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 2x4s n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x4s s ARG 234 N 1.22 1.36 0.39 -2.82 1.70 -0.58 -4.97 118.95 115.26 2x4s s ARG 234 Ca 0.78 -1.41 -0.25 0.00 -0.47 0.00 0.00 55.73 54.38 2x4s s ARG 234 Cb -0.61 -1.60 -0.09 0.00 -0.57 0.00 0.00 34.95 32.09 2x4s s ARG 234 CO 0.36 0.35 1.15 -2.14 -1.08 0.00 0.00 175.30 173.94 2x4s s PRO 235 N -2.54 4.10 0.16 3.89 0.02 -1.26 -0.71 135.00 138.66 2x4s s PRO 235 Ca 0.16 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.11 2x4s s PRO 235 Cb -0.08 -2.69 -0.07 0.00 0.02 0.00 0.00 34.50 31.68 2x4s s PRO 235 CO 0.07 -0.27 1.19 0.00 -0.33 0.00 0.00 177.00 177.66 2x4s h ALA 236 N 2.68 0.60 0.00 -1.55 0.00 -1.11 -3.44 119.26 116.43 2x4s h ALA 236 Ca -0.49 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2x4s h ALA 236 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2x4s h ALA 236 CO 0.63 0.93 0.00 0.41 0.00 0.00 0.00 179.25 181.21 2x4s n GLY 237 N 1.32 2.85 1.65 0.00 0.00 -1.26 -4.89 105.19 104.87 2x4s n GLY 237 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2x4s n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4s n ASP 238 N 0.00 4.93 0.00 1.61 5.68 -1.26 -4.88 116.55 122.63 2x4s n ASP 238 Ca 0.00 -2.69 0.00 0.00 -0.50 0.00 0.00 54.79 51.60 2x4s n ASP 238 Cb 0.00 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 2x4s n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x4s n GLY 239 N 0.70 3.43 3.99 6.12 0.00 -1.26 -5.04 105.19 113.13 2x4s n GLY 239 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 2x4s n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4s s THR 240 N -2.91 2.64 0.22 2.61 -4.23 -1.26 -4.91 115.64 107.79 2x4s s THR 240 Ca 0.00 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.83 2x4s s THR 240 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 2x4s s THR 240 CO 0.00 0.00 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.53 2x4s s PHE 241 N -2.69 2.00 0.20 3.99 0.08 0.73 -0.49 117.98 121.81 2x4s s PHE 241 Ca 0.58 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 57.28 2x4s s PHE 241 Cb -0.09 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 2x4s s PHE 241 CO 0.38 0.49 -0.16 -0.65 -0.10 0.00 0.00 175.22 175.17 2x4s s GLN 242 N -3.24 1.35 -0.18 0.44 -0.21 0.12 -1.91 119.66 116.03 2x4s s GLN 242 Ca 0.23 -1.56 -0.28 0.00 0.02 0.00 0.00 55.36 53.76 2x4s s GLN 242 Cb -0.04 -1.25 0.10 0.00 1.00 0.00 0.00 33.01 32.82 2x4s s GLN 242 CO 0.10 0.22 0.88 0.21 -2.12 0.00 0.00 175.29 174.59 2x4s s LYS 243 N -3.41 0.73 0.06 2.91 2.20 -0.69 -1.53 119.74 119.99 2x4s s LYS 243 Ca 0.22 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 2x4s s LYS 243 Cb -0.03 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.61 2x4s s LYS 243 CO 0.08 -0.18 -0.06 1.67 -0.36 0.00 0.00 175.35 176.50 2x4s s TRP 244 N -0.57 0.64 -0.02 4.03 1.48 -1.26 -1.06 118.94 122.18 2x4s s TRP 244 Ca -0.03 -0.76 0.03 0.00 -1.06 0.00 0.00 56.10 54.28 2x4s s TRP 244 Cb -0.02 -0.40 -0.00 0.00 -1.16 0.00 0.00 33.47 31.89 2x4s s TRP 244 CO 0.02 -0.19 -0.10 0.00 -4.06 0.00 0.00 176.95 172.62 2x4s s ALA 245 N -2.66 0.89 0.06 2.67 0.00 -0.55 -3.10 121.76 119.08 2x4s s ALA 245 Ca -0.00 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2x4s s ALA 245 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2x4s s ALA 245 CO -0.04 0.18 -0.11 0.00 0.00 0.00 0.00 175.76 175.79 2x4s s ALA 246 N -0.05 0.92 0.02 0.00 0.00 0.19 0.33 121.76 123.18 2x4s s ALA 246 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2x4s s ALA 246 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2x4s s ALA 246 CO 0.00 0.08 -0.04 0.14 0.00 0.00 0.00 175.76 175.94 2x4s s VAL 247 N -1.39 0.19 -0.34 0.00 -7.23 -0.64 -0.77 120.40 110.23 2x4s s VAL 247 Ca -0.05 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.09 2x4s s VAL 247 Cb -0.10 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.53 2x4s s VAL 247 CO 0.01 -0.42 0.52 -0.69 -0.31 0.00 0.00 175.10 174.22 2x4s s VAL 248 N -1.28 5.01 -0.20 1.32 1.01 -1.26 -1.03 120.40 123.97 2x4s s VAL 248 Ca -0.13 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2x4s s VAL 248 Cb -0.09 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2x4s s VAL 248 CO -0.01 -0.18 -0.01 -0.69 0.00 0.00 0.00 175.10 174.21 2x4s s VAL 249 N 2.40 3.77 0.19 2.92 1.01 0.18 -4.93 120.40 125.95 2x4s s VAL 249 Ca 0.19 -0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 2x4s s VAL 249 Cb -0.15 -2.71 -0.13 0.00 0.00 0.00 0.00 36.38 33.39 2x4s s VAL 249 CO 0.13 0.43 1.61 -2.65 0.00 0.00 0.00 175.10 174.62 2x4s n PRO 250 N 4.37 2.38 -1.57 2.72 -0.02 -1.26 -0.32 135.00 141.30 2x4s n PRO 250 Ca -0.17 0.86 -0.50 0.00 -2.02 0.00 0.00 63.50 61.66 2x4s n PRO 250 Cb 0.52 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 2x4s n PRO 250 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2x4s n SER 251 N 3.40 1.19 0.00 2.55 7.64 0.20 -1.46 113.62 127.15 2x4s n SER 251 Ca 0.16 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2x4s n SER 251 Cb 0.31 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2x4s n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4s n GLY 252 N 2.06 3.37 0.18 0.23 0.00 -1.26 -4.88 105.19 104.89 2x4s n GLY 252 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2x4s n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4s n GLN 253 N -1.53 1.24 0.07 1.61 6.02 -0.54 -4.38 117.38 119.87 2x4s n GLN 253 Ca 0.00 -0.35 0.21 0.00 -0.01 0.00 0.00 57.00 56.84 2x4s n GLN 253 Cb 0.00 -1.39 0.74 0.00 1.02 0.00 0.00 30.24 30.61 2x4s n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4s h GLU 254 N 0.76 0.00 0.00 -1.09 3.07 -1.90 0.27 114.58 115.70 2x4s h GLU 254 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2x4s h GLU 254 Cb 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 2x4s h GLU 254 CO 0.00 0.00 -0.51 0.37 -1.40 0.00 0.00 179.01 177.47 2x4s h GLN 255 N 0.00 0.00 0.00 2.33 4.15 -1.81 -3.26 115.11 116.53 2x4s h GLN 255 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2x4s h GLN 255 Cb 1.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2x4s h GLN 255 CO -0.00 0.50 0.00 0.54 -1.93 0.00 0.00 178.83 177.94 2x4s n ARG 256 N -3.22 0.37 -5.00 1.69 1.74 0.95 -4.76 116.66 108.43 2x4s n ARG 256 Ca 0.02 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 2x4s n ARG 256 Cb 0.74 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.53 2x4s n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2x4s s TYR 257 N -2.52 2.62 0.13 -1.55 2.02 -1.23 0.72 117.35 117.54 2x4s s TYR 257 Ca 0.23 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 2x4s s TYR 257 Cb 0.15 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 2x4s s TYR 257 CO 0.34 0.04 -0.12 0.95 -1.57 0.00 0.00 175.55 175.19 2x4s s THR 258 N -0.48 1.24 -0.12 -0.71 -4.23 -0.14 -4.58 115.64 106.62 2x4s s THR 258 Ca 0.06 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2x4s s THR 258 Cb -0.12 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2x4s s THR 258 CO 0.01 -0.56 -0.21 0.00 -0.54 0.00 0.00 174.62 173.33 2x4s s HIS 260 N 0.69 2.95 -0.17 0.00 3.76 -0.20 -0.74 115.29 121.60 2x4s s HIS 260 Ca -0.11 -0.54 -0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2x4s s HIS 260 Cb -0.16 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 2x4s s HIS 260 CO 0.02 -0.21 -0.07 0.08 -0.85 0.00 0.00 174.74 173.71 2x4s s VAL 261 N 0.67 3.48 -0.19 -0.90 1.01 -0.78 -1.60 120.40 122.09 2x4s s VAL 261 Ca -0.03 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2x4s s VAL 261 Cb -0.15 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2x4s s VAL 261 CO 0.02 0.48 -0.15 -1.10 0.00 0.00 0.00 175.10 174.35 2x4s s GLN 262 N 0.72 2.49 0.14 2.72 -0.21 0.59 -2.07 119.66 124.03 2x4s s GLN 262 Ca -0.03 -0.87 -0.05 0.00 0.02 0.00 0.00 55.36 54.43 2x4s s GLN 262 Cb -0.15 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 2x4s s GLN 262 CO 0.02 -0.33 0.17 -1.58 -2.12 0.00 0.00 175.29 171.44 2x4s s HIS 263 N 1.32 0.58 0.14 0.91 2.46 -1.26 -0.58 115.29 118.86 2x4s s HIS 263 Ca 0.01 -0.97 -0.06 0.00 0.47 0.00 0.00 55.06 54.51 2x4s s HIS 263 Cb -0.15 -0.25 -0.04 0.00 -0.13 0.00 0.00 32.58 32.00 2x4s s HIS 263 CO -0.10 -0.61 1.37 1.49 -2.47 0.00 0.00 174.74 174.42 2x4s h GLU 264 N 2.72 0.56 0.00 2.88 4.81 -1.93 -3.07 114.58 120.56 2x4s h GLU 264 Ca -0.33 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 2x4s h GLU 264 Cb 1.21 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2x4s h GLU 264 CO 0.54 1.10 0.00 0.41 -0.73 0.00 0.00 179.01 180.33 2x4s n GLY 265 N 0.66 -1.04 3.72 1.92 0.00 -1.26 -4.75 105.19 104.44 2x4s n GLY 265 Ca -0.06 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2x4s n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4s s LEU 266 N -2.20 4.30 0.09 0.99 1.43 -1.16 -4.60 118.68 117.52 2x4s s LEU 266 Ca 0.38 1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.26 2x4s s LEU 266 Cb 0.20 -2.91 -0.15 0.00 0.03 0.00 0.00 46.19 43.37 2x4s s LEU 266 CO 0.38 -0.06 1.72 -0.65 0.23 0.00 0.00 176.35 177.97 2x4s h PRO 267 N 6.74 -0.10 -4.77 1.29 0.11 -1.88 -3.44 132.00 129.94 2x4s h PRO 267 Ca -0.41 0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.41 2x4s h PRO 267 Cb 1.19 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 2x4s h PRO 267 CO 0.75 -0.07 -0.74 0.15 -0.21 0.00 0.00 178.00 177.89 2x4s s LYS 268 N -6.17 0.68 0.76 1.05 1.02 -1.26 -5.15 119.74 110.67 2x4s s LYS 268 Ca -0.14 -0.94 -0.15 0.00 0.02 0.00 0.00 55.97 54.76 2x4s s LYS 268 Cb 0.06 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2x4s s LYS 268 CO 0.66 0.07 0.75 -2.30 -0.92 0.00 0.00 175.35 173.60 2x4s n PRO 269 N 1.06 0.28 -4.02 -1.68 -0.02 -1.26 -5.00 135.00 124.36 2x4s n PRO 269 Ca -0.20 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 2x4s n PRO 269 Cb 0.56 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 2x4s n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x4s s LEU 270 N -2.00 4.05 -0.15 2.45 1.43 -0.88 -4.96 118.68 118.62 2x4s s LEU 270 Ca 0.68 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2x4s s LEU 270 Cb -0.32 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.30 2x4s s LEU 270 CO 0.56 0.08 0.01 -0.89 0.23 0.00 0.00 176.35 176.34 2x4s s THR 271 N -1.69 0.53 -0.13 5.49 2.01 -1.26 -1.86 115.64 118.73 2x4s s THR 271 Ca 0.32 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2x4s s THR 271 Cb -0.11 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 2x4s s THR 271 CO 0.25 -0.01 0.20 -0.76 -0.69 0.00 0.00 174.62 173.62 2x4s s LEU 272 N 1.88 4.32 -0.14 4.42 1.02 0.09 -4.90 118.68 125.37 2x4s s LEU 272 Ca 0.01 0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.64 2x4s s LEU 272 Cb -0.15 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.88 2x4s s LEU 272 CO -0.07 0.28 -0.12 -0.13 0.02 0.00 0.00 176.35 176.32 2x4s s ARG 273 N -0.37 2.09 -0.79 1.70 0.52 -1.26 -2.17 118.95 118.68 2x4s s ARG 273 Ca 0.15 -0.48 -0.25 0.00 -0.52 0.00 0.00 55.73 54.62 2x4s s ARG 273 Cb -0.13 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.29 2x4s s ARG 273 CO 0.04 -0.24 2.20 -0.46 0.02 0.00 0.00 175.30 176.86 2x4s s TRP 274 N 1.53 1.41 0.00 -0.53 -0.11 -1.26 -5.11 118.94 114.86 2x4s s TRP 274 Ca 0.05 1.38 0.00 0.00 1.22 0.00 0.00 56.10 58.74 2x4s s TRP 274 Cb -0.13 -3.72 0.00 0.00 -1.50 0.00 0.00 33.47 28.13 2x4s s TRP 274 CO -0.10 -1.78 0.00 -1.91 -4.62 0.00 0.00 176.95 168.54