#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsf s SER 2 N 0.00 6.25 0.19 1.61 0.01 -1.26 -4.12 113.70 116.37 1qsf s SER 2 Ca 0.00 1.35 -0.10 0.00 1.31 0.00 0.00 55.95 58.51 1qsf s SER 2 Cb 0.00 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1qsf s SER 2 CO 0.00 -0.81 0.33 -1.00 0.41 0.00 0.00 173.24 172.17 1qsf s HIS 3 N -3.08 0.41 0.15 2.43 0.09 -1.04 -5.01 115.29 109.24 1qsf s HIS 3 Ca 0.54 -0.76 -0.23 0.00 -0.00 0.00 0.00 55.06 54.60 1qsf s HIS 3 Cb -0.11 -0.01 0.07 0.00 -0.00 0.00 0.00 32.58 32.53 1qsf s HIS 3 CO 0.51 -0.78 0.64 -1.54 -0.00 0.00 0.00 174.74 173.57 1qsf s SER 4 N -2.99 -0.53 -0.08 1.40 1.04 -1.26 -1.19 113.70 110.09 1qsf s SER 4 Ca 0.19 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.61 1qsf s SER 4 Cb 0.02 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1qsf s SER 4 CO 0.03 -0.96 -0.17 -0.32 0.98 0.00 0.00 173.24 172.79 1qsf s MET 5 N -3.70 2.26 0.02 4.02 -2.45 -0.83 -0.71 119.30 117.91 1qsf s MET 5 Ca 0.02 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.89 1qsf s MET 5 Cb -0.01 -1.79 -0.01 0.00 1.25 0.00 0.00 34.83 34.26 1qsf s MET 5 CO -0.11 0.08 -0.10 1.03 1.05 0.00 0.00 175.02 176.97 1qsf s ARG 6 N 0.57 0.71 -0.10 4.11 1.81 -0.86 -1.30 118.95 123.88 1qsf s ARG 6 Ca -0.16 -0.53 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 1qsf s ARG 6 Cb -0.17 -0.65 0.01 0.00 -0.45 0.00 0.00 34.95 33.70 1qsf s ARG 6 CO 0.05 0.16 -0.16 0.71 -0.68 0.00 0.00 175.30 175.38 1qsf s TYR 7 N -0.64 2.01 -0.16 -0.53 2.02 -0.43 -0.31 117.35 119.31 1qsf s TYR 7 Ca -0.00 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1qsf s TYR 7 Cb -0.06 -1.42 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1qsf s TYR 7 CO 0.00 -0.44 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.35 1qsf s PHE 8 N 0.81 2.82 -0.13 2.71 0.40 0.16 -2.76 117.98 121.99 1qsf s PHE 8 Ca -0.10 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.26 1qsf s PHE 8 Cb -0.16 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1qsf s PHE 8 CO 0.01 -0.46 -0.20 -0.06 0.70 0.00 0.00 175.22 175.21 1qsf s PHE 9 N 0.87 2.48 -0.03 0.36 0.40 0.16 -1.32 117.98 120.90 1qsf s PHE 9 Ca -0.04 -1.22 0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1qsf s PHE 9 Cb -0.15 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1qsf s PHE 9 CO -0.01 -0.57 -0.22 0.99 0.70 0.00 0.00 175.22 176.12 1qsf s THR 10 N 0.82 1.77 -0.04 0.64 2.01 -0.52 -0.51 115.64 119.82 1qsf s THR 10 Ca -0.08 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 1qsf s THR 10 Cb -0.16 -1.49 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1qsf s THR 10 CO -0.01 0.50 0.01 -0.55 -0.69 0.00 0.00 174.62 173.88 1qsf s SER 11 N -0.31 0.71 -0.07 3.53 0.15 -0.51 -1.20 113.70 116.00 1qsf s SER 11 Ca 0.03 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.70 1qsf s SER 11 Cb -0.11 -0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1qsf s SER 11 CO 0.01 -0.14 -0.21 -0.69 1.20 0.00 0.00 173.24 173.41 1qsf s VAL 12 N 1.34 1.79 0.14 4.45 1.01 -0.51 -1.04 120.40 127.57 1qsf s VAL 12 Ca -0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1qsf s VAL 12 Cb -0.13 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1qsf s VAL 12 CO -0.02 0.50 0.94 -0.94 0.00 0.00 0.00 175.10 175.58 1qsf s SER 13 N 0.19 7.52 -0.84 3.32 1.04 -0.81 -0.41 113.70 123.71 1qsf s SER 13 Ca -0.11 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1qsf s SER 13 Cb -0.15 -2.59 0.21 0.00 0.10 0.00 0.00 66.02 63.59 1qsf s SER 13 CO 0.05 -0.00 0.71 0.54 0.98 0.00 0.00 173.24 175.53 1qsf n ARG 14 N 2.44 2.44 -1.70 4.02 1.74 -1.26 -4.30 116.66 120.04 1qsf n ARG 14 Ca 0.01 -4.49 -0.61 0.00 -0.77 0.00 0.00 57.85 51.99 1qsf n ARG 14 Cb 0.49 -2.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.47 1qsf n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1qsf n PRO 15 N 2.15 0.64 -0.36 5.56 -0.02 -1.26 -0.63 135.00 141.08 1qsf n PRO 15 Ca 0.22 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1qsf n PRO 15 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1qsf n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qsf n GLY 16 N 3.81 0.42 1.81 -1.23 0.00 -1.26 -4.81 105.19 103.94 1qsf n GLY 16 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1qsf n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qsf n ARG 17 N -2.00 2.91 0.00 1.61 1.74 0.20 -5.10 116.66 116.02 1qsf n ARG 17 Ca 0.00 -3.72 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1qsf n ARG 17 Cb 0.00 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 1qsf n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qsf n GLY 18 N -0.87 -1.15 3.75 -0.13 0.00 -1.23 -4.91 105.19 100.64 1qsf n GLY 18 Ca 0.44 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1qsf n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qsf s GLU 19 N 0.00 2.68 0.88 1.61 0.41 -1.26 -4.39 118.70 118.63 1qsf s GLU 19 Ca 0.00 1.74 -0.12 0.00 -0.41 0.00 0.00 54.97 56.18 1qsf s GLU 19 Cb 0.00 -1.90 0.12 0.00 -1.78 0.00 0.00 34.13 30.57 1qsf s GLU 19 CO 0.00 -1.41 1.10 -1.25 -0.49 0.00 0.00 175.26 173.21 1qsf s PRO 20 N -3.63 1.42 0.17 0.39 0.04 -1.26 -4.54 135.00 127.59 1qsf s PRO 20 Ca 0.75 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1qsf s PRO 20 Cb -0.29 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1qsf s PRO 20 CO 0.38 -2.07 0.66 0.50 0.04 0.00 0.00 177.00 176.51 1qsf s ARG 21 N -5.10 4.21 -0.24 4.56 3.52 0.46 -4.86 118.95 121.48 1qsf s ARG 21 Ca 0.63 0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 56.98 1qsf s ARG 21 Cb -0.16 -2.99 0.08 0.00 -1.56 0.00 0.00 34.95 30.32 1qsf s ARG 21 CO 0.55 0.47 0.08 0.12 -0.81 0.00 0.00 175.30 175.72 1qsf s PHE 22 N -1.40 0.87 -0.08 5.12 5.36 -1.26 -1.43 117.98 125.16 1qsf s PHE 22 Ca 0.39 -0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 55.34 1qsf s PHE 22 Cb -0.17 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.37 1qsf s PHE 22 CO 0.21 -0.72 0.02 0.42 -1.46 0.00 0.00 175.22 173.68 1qsf s ILE 23 N 1.91 4.43 -0.04 3.12 -1.09 -0.34 -1.71 121.20 127.48 1qsf s ILE 23 Ca 0.05 -0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1qsf s ILE 23 Cb -0.17 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1qsf s ILE 23 CO -0.20 0.59 0.08 0.00 -1.23 0.00 0.00 174.94 174.17 1qsf s ALA 24 N -0.92 0.05 0.06 9.38 0.00 0.10 -1.44 121.76 128.99 1qsf s ALA 24 Ca 0.14 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.51 1qsf s ALA 24 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1qsf s ALA 24 CO 0.03 -0.33 -0.16 0.14 0.00 0.00 0.00 175.76 175.44 1qsf s VAL 25 N 1.68 1.31 -0.10 0.00 -7.23 -0.43 0.15 120.40 115.78 1qsf s VAL 25 Ca -0.02 -1.20 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1qsf s VAL 25 Cb -0.12 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1qsf s VAL 25 CO -0.04 -0.03 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.82 1qsf s GLY 26 N -1.43 0.77 0.35 2.32 0.00 -0.83 -0.66 107.32 107.84 1qsf s GLY 26 Ca 0.03 -0.46 0.08 0.00 0.00 0.00 0.00 44.72 44.37 1qsf s GLY 26 CO 0.02 0.73 0.09 -0.19 0.00 0.00 0.00 173.10 173.75 1qsf s TYR 27 N 1.55 2.62 -0.31 1.90 1.51 0.58 -0.81 117.35 124.39 1qsf s TYR 27 Ca 0.02 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1qsf s TYR 27 Cb -0.13 -1.62 0.11 0.00 -0.11 0.00 0.00 41.96 40.20 1qsf s TYR 27 CO -0.06 0.38 0.13 0.08 -1.11 0.00 0.00 175.55 174.97 1qsf s VAL 28 N -2.50 0.38 0.00 0.71 1.01 0.23 -2.03 120.40 118.20 1qsf s VAL 28 Ca 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1qsf s VAL 28 Cb -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1qsf s VAL 28 CO 0.21 -0.75 0.00 0.47 0.00 0.00 0.00 175.10 175.03 1qsf n ASP 29 N 4.88 0.00 -1.69 3.32 8.00 0.11 -2.34 116.55 128.83 1qsf n ASP 29 Ca -0.02 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.54 1qsf n ASP 29 Cb 0.41 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.86 1qsf n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qsf n ASP 30 N 6.68 5.04 -4.25 -2.24 8.00 -1.26 -4.89 116.55 123.63 1qsf n ASP 30 Ca 0.00 -2.77 -0.30 0.00 0.71 0.00 0.00 54.79 52.43 1qsf n ASP 30 Cb 0.00 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 1qsf n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1qsf s THR 31 N -2.46 1.90 0.02 -3.53 -4.23 -0.99 -5.01 115.64 101.33 1qsf s THR 31 Ca 0.47 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.88 1qsf s THR 31 Cb 0.35 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.54 1qsf s THR 31 CO 0.15 0.53 0.34 -1.58 -0.54 0.00 0.00 174.62 173.52 1qsf s GLN 32 N -0.29 3.73 0.00 3.99 0.74 -1.26 0.78 119.66 127.35 1qsf s GLN 32 Ca 0.01 0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.58 1qsf s GLN 32 Cb -0.12 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1qsf s GLN 32 CO 0.02 0.64 0.00 1.97 -0.55 0.00 0.00 175.29 177.37 1qsf n PHE 33 N 1.34 0.00 -3.98 1.67 -1.74 0.01 -4.16 117.46 110.61 1qsf n PHE 33 Ca -0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.68 1qsf n PHE 33 Cb 0.53 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.45 1qsf n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1qsf s VAL 34 N -0.62 0.13 0.12 1.97 -7.23 -1.18 -0.05 120.40 113.55 1qsf s VAL 34 Ca 0.00 -1.48 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 1qsf s VAL 34 Cb 0.00 -1.63 0.07 0.00 0.56 0.00 0.00 36.38 35.38 1qsf s VAL 34 CO 0.00 -0.59 0.64 0.00 -0.31 0.00 0.00 175.10 174.85 1qsf s ARG 35 N -3.93 1.20 -0.15 4.82 1.04 -0.72 -1.96 118.95 119.25 1qsf s ARG 35 Ca 0.12 -0.40 -0.09 0.00 -1.04 0.00 0.00 55.73 54.32 1qsf s ARG 35 Cb 0.05 0.56 0.05 0.00 -2.04 0.00 0.00 34.95 33.57 1qsf s ARG 35 CO -0.06 -0.52 0.36 0.12 -0.04 0.00 0.00 175.30 175.17 1qsf s PHE 36 N -3.49 -0.49 -0.23 5.89 5.36 0.12 -1.56 117.98 123.58 1qsf s PHE 36 Ca 0.01 1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 57.03 1qsf s PHE 36 Cb -0.01 0.18 0.09 0.00 -0.34 0.00 0.00 43.02 42.95 1qsf s PHE 36 CO -0.11 -0.27 0.17 0.34 -1.46 0.00 0.00 175.22 173.88 1qsf s ASP 37 N 1.00 2.32 0.46 6.13 -1.08 -1.25 0.02 116.67 124.26 1qsf s ASP 37 Ca -0.07 -0.72 0.38 0.00 -0.52 0.00 0.00 52.55 51.62 1qsf s ASP 37 Cb -0.07 0.01 1.50 0.00 -1.46 0.00 0.00 42.92 42.91 1qsf s ASP 37 CO -0.08 -0.38 1.47 -1.54 0.52 0.00 0.00 175.17 175.17 1qsf n SER 38 N 5.29 0.12 0.10 -0.34 3.41 -0.69 0.13 113.62 121.64 1qsf n SER 38 Ca -0.06 1.15 -0.04 0.00 -0.26 0.00 0.00 58.87 59.67 1qsf n SER 38 Cb 0.47 -0.57 0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1qsf n SER 38 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qsf h ASP 39 N 0.00 0.00 -2.47 4.04 5.19 -1.95 -3.46 116.42 117.77 1qsf h ASP 39 Ca 0.86 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.98 1qsf h ASP 39 Cb 3.05 0.00 0.17 0.00 0.18 0.00 0.00 39.33 42.73 1qsf h ASP 39 CO -0.26 0.78 -0.14 0.00 -3.12 0.00 0.00 179.24 176.50 1qsf n ALA 40 N -2.38 -4.08 -0.09 3.45 0.00 0.36 -5.02 120.51 112.74 1qsf n ALA 40 Ca -0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.12 1qsf n ALA 40 Cb 0.77 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 1qsf n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qsf n ALA 41 N -5.18 0.71 -0.27 0.00 0.00 -1.26 -4.56 120.51 109.95 1qsf n ALA 41 Ca -0.15 -0.61 0.07 0.00 0.00 0.00 0.00 53.44 52.74 1qsf n ALA 41 Cb 0.46 -0.08 0.21 0.00 0.00 0.00 0.00 19.45 20.04 1qsf n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qsf h SER 42 N -1.00 0.30 -0.69 0.00 4.64 -1.95 -3.45 113.55 111.39 1qsf h SER 42 Ca -0.16 0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1qsf h SER 42 Cb 0.93 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 1qsf h SER 42 CO -0.10 0.09 -0.20 1.67 -0.87 0.00 0.00 176.83 177.43 1qsf n GLN 43 N -5.00 -0.71 -4.47 4.77 -0.06 -1.26 -5.00 117.38 105.65 1qsf n GLN 43 Ca 0.16 0.76 -0.23 0.00 -2.00 0.00 0.00 57.00 55.69 1qsf n GLN 43 Cb 0.46 -4.71 -0.10 0.00 -4.06 0.00 0.00 30.24 21.83 1qsf n GLN 43 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1qsf s ARG 44 N -3.23 1.64 -0.18 3.69 0.52 -1.26 -5.07 118.95 115.06 1qsf s ARG 44 Ca 0.00 -1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 53.06 1qsf s ARG 44 Cb 0.00 -1.25 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 1qsf s ARG 44 CO 0.00 0.02 1.35 1.41 0.02 0.00 0.00 175.30 178.10 1qsf s MET 45 N -3.73 4.13 -0.00 3.54 -2.45 -1.26 -4.77 119.30 114.76 1qsf s MET 45 Ca 0.31 1.65 0.00 0.00 -1.25 0.00 0.00 55.69 56.41 1qsf s MET 45 Cb 0.05 -3.83 -0.04 0.00 1.25 0.00 0.00 34.83 32.25 1qsf s MET 45 CO 0.14 -0.84 0.04 -1.21 1.05 0.00 0.00 175.02 174.19 1qsf s GLU 46 N 3.78 2.93 0.87 4.11 2.02 -0.60 -4.85 118.70 126.96 1qsf s GLU 46 Ca 0.59 -0.54 -0.12 0.00 0.02 0.00 0.00 54.97 54.92 1qsf s GLU 46 Cb -0.22 -2.77 0.11 0.00 0.10 0.00 0.00 34.13 31.35 1qsf s GLU 46 CO 0.19 0.64 1.09 -1.25 0.02 0.00 0.00 175.26 175.95 1qsf s PRO 47 N -1.64 1.48 0.00 0.39 0.04 -1.26 -1.75 135.00 132.26 1qsf s PRO 47 Ca 0.21 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1qsf s PRO 47 Cb -0.12 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1qsf s PRO 47 CO 0.12 -2.07 0.00 0.54 0.04 0.00 0.00 177.00 175.63 1qsf n ARG 48 N -3.76 0.00 -4.54 4.56 5.12 0.93 -4.75 116.66 114.22 1qsf n ARG 48 Ca 0.07 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 1qsf n ARG 48 Cb 0.56 -0.14 -0.16 0.00 -1.16 0.00 0.00 32.46 31.56 1qsf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qsf s ALA 49 N 0.00 1.09 0.56 7.54 0.00 -1.21 -4.75 121.76 125.00 1qsf s ALA 49 Ca 0.00 -0.44 0.26 0.00 0.00 0.00 0.00 51.96 51.77 1qsf s ALA 49 Cb 0.00 -0.40 1.64 0.00 0.00 0.00 0.00 23.12 24.36 1qsf s ALA 49 CO 0.00 0.18 2.21 -1.00 0.00 0.00 0.00 175.76 177.15 1qsf h PRO 50 N 6.40 0.00 0.00 0.00 0.13 -1.94 -2.42 132.00 134.16 1qsf h PRO 50 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qsf h PRO 50 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qsf h PRO 50 CO 0.48 0.01 0.00 -2.67 -0.23 0.00 0.00 178.00 175.60 1qsf n TRP 51 N -4.03 0.00 0.83 1.56 4.27 -1.26 -2.00 117.44 116.81 1qsf n TRP 51 Ca -0.03 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.68 1qsf n TRP 51 Cb 0.10 -0.03 -0.12 0.00 -1.36 0.00 0.00 31.31 29.89 1qsf n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1qsf n ILE 52 N -1.03 0.00 0.55 -1.67 0.13 -0.91 -4.00 119.36 112.42 1qsf n ILE 52 Ca 0.21 -0.08 0.10 0.00 -1.10 0.00 0.00 62.75 61.88 1qsf n ILE 52 Cb 0.12 0.86 0.42 0.00 -0.84 0.00 0.00 39.64 40.19 1qsf n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1qsf n GLU 53 N -1.59 0.08 0.15 9.51 1.02 -0.84 -2.91 120.64 126.05 1qsf n GLU 53 Ca 0.03 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1qsf n GLU 53 Cb 0.35 -1.64 0.22 0.00 -0.02 0.00 0.00 31.44 30.36 1qsf n GLU 53 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1qsf h GLN 54 N 0.00 0.00 -7.19 3.49 3.07 -1.71 -3.45 115.11 109.31 1qsf h GLN 54 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1qsf h GLN 54 Cb 0.36 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.03 1qsf h GLN 54 CO 0.00 0.00 0.38 -1.21 0.09 0.00 0.00 178.83 178.09 1qsf s GLU 55 N -3.19 2.75 0.00 0.06 0.41 -1.15 -5.04 118.70 112.54 1qsf s GLU 55 Ca 0.07 1.44 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 1qsf s GLU 55 Cb 0.09 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 1qsf s GLU 55 CO 0.67 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 174.55 1qsf n GLY 56 N -0.38 0.65 0.33 -1.39 0.00 -1.26 -4.92 105.19 98.21 1qsf n GLY 56 Ca 0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1qsf n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qsf h PRO 57 N 0.00 1.13 -0.86 1.61 0.11 -2.00 -2.20 132.00 129.79 1qsf h PRO 57 Ca 0.00 -0.07 0.11 0.00 0.11 0.00 0.00 66.00 66.15 1qsf h PRO 57 Cb 0.00 -0.25 -0.08 0.00 0.11 0.00 0.00 31.00 30.78 1qsf h PRO 57 CO 0.00 0.75 0.49 1.05 -0.21 0.00 0.00 178.00 180.08 1qsf h GLU 58 N 1.16 0.77 0.58 1.05 4.11 -1.99 -0.13 114.58 120.13 1qsf h GLU 58 Ca 0.31 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.67 1qsf h GLU 58 Cb -0.14 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 28.95 1qsf h GLU 58 CO -0.07 0.51 -0.28 -0.92 0.07 0.00 0.00 179.01 178.32 1qsf h TYR 59 N 0.79 -0.72 -0.30 2.06 3.20 -1.76 -2.09 116.97 118.14 1qsf h TYR 59 Ca 0.43 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 1qsf h TYR 59 Cb 0.44 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1qsf h TYR 59 CO -0.06 -0.39 -0.03 -1.49 -1.64 0.00 0.00 178.16 174.55 1qsf h TRP 60 N -1.00 0.49 -0.33 -3.82 4.06 -1.35 0.16 115.95 114.16 1qsf h TRP 60 Ca -0.08 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.75 1qsf h TRP 60 Cb 0.66 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 1qsf h TRP 60 CO -0.00 0.51 -0.06 -0.44 -3.56 0.00 0.00 178.44 174.89 1qsf h ASP 61 N 0.45 0.63 0.27 -3.49 5.19 -1.05 0.65 116.42 119.08 1qsf h ASP 61 Ca 0.10 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1qsf h ASP 61 Cb 0.34 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1qsf h ASP 61 CO 0.01 0.84 -0.13 1.23 -3.12 0.00 0.00 179.24 178.07 1qsf h GLY 62 N 0.41 -0.39 0.57 2.75 0.00 -1.03 -2.29 103.07 103.11 1qsf h GLY 62 Ca 0.09 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.66 1qsf h GLY 62 CO 0.03 -0.14 0.61 0.83 0.00 0.00 0.00 176.54 177.87 1qsf h GLU 63 N -0.69 1.00 -0.24 4.80 4.39 -0.66 -0.87 114.58 122.30 1qsf h GLU 63 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1qsf h GLU 63 Cb 0.48 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1qsf h GLU 63 CO 0.06 0.66 0.16 1.15 -1.16 0.00 0.00 179.01 179.88 1qsf h THR 64 N 1.03 1.06 -0.28 1.13 2.02 -0.82 -1.93 112.91 115.12 1qsf h THR 64 Ca 0.46 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.58 1qsf h THR 64 Cb 0.35 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1qsf h THR 64 CO -0.23 0.06 -0.05 -0.09 0.37 0.00 0.00 175.52 175.58 1qsf h ARG 65 N 0.32 0.02 -0.06 6.66 2.43 -0.59 -2.14 114.38 121.02 1qsf h ARG 65 Ca 0.09 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1qsf h ARG 65 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qsf h ARG 65 CO -0.02 0.02 -0.23 0.87 -1.51 0.00 0.00 179.97 179.10 1qsf h LYS 66 N 0.02 0.10 0.00 0.20 1.57 -1.16 -1.99 116.57 115.32 1qsf h LYS 66 Ca 0.13 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1qsf h LYS 66 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1qsf h LYS 66 CO -0.27 0.33 -0.37 -0.24 -0.57 0.00 0.00 179.45 178.33 1qsf h VAL 67 N 0.10 0.70 0.00 0.50 3.04 -0.80 -0.70 116.25 119.09 1qsf h VAL 67 Ca 0.02 -1.78 -0.10 0.00 -1.01 0.00 0.00 66.70 63.82 1qsf h VAL 67 Cb 0.46 2.19 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 1qsf h VAL 67 CO 0.03 0.37 -0.47 0.11 -1.01 0.00 0.00 177.57 176.60 1qsf h LYS 68 N 0.00 0.00 0.22 4.17 1.57 -0.78 -0.41 116.57 121.34 1qsf h LYS 68 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1qsf h LYS 68 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1qsf h LYS 68 CO 0.05 0.47 -0.11 0.00 -0.57 0.00 0.00 179.45 179.30 1qsf h ALA 69 N 1.53 -0.30 -0.93 3.86 0.00 -1.06 -0.22 119.26 122.13 1qsf h ALA 69 Ca -0.00 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1qsf h ALA 69 Cb 1.31 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1qsf h ALA 69 CO 0.06 -0.44 0.60 0.45 0.00 0.00 0.00 179.25 179.92 1qsf h HIS 70 N -0.75 0.82 -0.06 0.00 3.86 -1.01 0.12 115.15 118.12 1qsf h HIS 70 Ca -0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1qsf h HIS 70 Cb 0.50 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1qsf h HIS 70 CO 0.05 0.25 -0.04 1.03 0.86 0.00 0.00 177.93 180.07 1qsf h SER 71 N 0.64 0.14 -0.29 2.45 0.87 -0.98 -1.94 113.55 114.45 1qsf h SER 71 Ca 0.49 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1qsf h SER 71 Cb 0.90 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.77 1qsf h SER 71 CO -0.25 0.56 -0.02 -0.61 -0.53 0.00 0.00 176.83 175.98 1qsf h GLN 72 N -0.28 0.05 0.10 2.24 5.75 0.99 0.82 115.11 124.79 1qsf h GLN 72 Ca 0.01 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1qsf h GLN 72 Cb 0.52 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1qsf h GLN 72 CO 0.01 0.04 -0.05 0.00 -2.65 0.00 0.00 178.83 176.18 1qsf h THR 73 N 0.06 0.93 -0.91 2.39 1.03 -0.92 -2.04 112.91 113.45 1qsf h THR 73 Ca 0.14 -0.10 0.07 0.00 -0.01 0.00 0.00 66.41 66.50 1qsf h THR 73 Cb 0.20 0.99 -0.06 0.00 -1.07 0.00 0.00 68.15 68.21 1qsf h THR 73 CO -0.26 0.03 0.57 0.45 -0.01 0.00 0.00 175.52 176.30 1qsf h HIS 74 N -0.18 1.05 -0.77 0.00 3.86 -0.68 0.23 115.15 118.66 1qsf h HIS 74 Ca -0.01 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1qsf h HIS 74 Cb 0.15 -0.34 -0.08 0.00 1.06 0.00 0.00 27.41 28.20 1qsf h HIS 74 CO -0.06 0.53 0.40 -0.09 0.86 0.00 0.00 177.93 179.58 1qsf h ARG 75 N 1.03 0.64 -0.04 2.45 2.43 0.11 -2.13 114.38 118.87 1qsf h ARG 75 Ca 0.40 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1qsf h ARG 75 Cb 0.19 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1qsf h ARG 75 CO -0.18 0.43 -0.01 0.28 -1.51 0.00 0.00 179.97 178.97 1qsf h VAL 76 N 0.66 1.31 -1.02 0.20 2.07 -0.35 -3.24 116.25 115.88 1qsf h VAL 76 Ca 0.39 -0.94 0.26 0.00 0.82 0.00 0.00 66.70 67.22 1qsf h VAL 76 Cb 0.42 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1qsf h VAL 76 CO -0.28 0.25 0.67 0.44 0.02 0.00 0.00 177.57 178.67 1qsf h ASP 77 N -0.29 0.37 -0.62 0.57 3.32 0.01 0.68 116.42 120.47 1qsf h ASP 77 Ca 0.01 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1qsf h ASP 77 Cb 0.41 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1qsf h ASP 77 CO 0.00 0.09 0.18 -0.07 -1.72 0.00 0.00 179.24 177.73 1qsf h LEU 78 N 0.34 0.94 0.02 1.55 3.38 -1.49 0.16 115.31 120.21 1qsf h LEU 78 Ca 0.55 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 1qsf h LEU 78 Cb 1.51 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 42.03 1qsf h LEU 78 CO -0.23 0.89 -0.78 1.23 0.09 0.00 0.00 178.44 179.64 1qsf h GLY 79 N 1.05 0.55 0.37 0.83 0.00 -1.04 -1.50 103.07 103.33 1qsf h GLY 79 Ca 0.21 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1qsf h GLY 79 CO -0.00 0.89 -0.47 -0.84 0.00 0.00 0.00 176.54 176.12 1qsf h THR 80 N 0.03 0.00 -0.21 4.70 2.02 -1.00 -2.13 112.91 116.32 1qsf h THR 80 Ca -0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1qsf h THR 80 Cb 1.49 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 1qsf h THR 80 CO 0.15 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 175.69 1qsf h LEU 81 N -0.86 -0.91 -1.60 2.58 3.38 -0.78 0.75 115.31 117.87 1qsf h LEU 81 Ca -0.04 0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.35 1qsf h LEU 81 Cb 0.77 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1qsf h LEU 81 CO -0.11 -0.32 0.70 -0.09 0.09 0.00 0.00 178.44 178.71 1qsf h ARG 82 N -0.31 0.25 0.27 1.13 2.43 -1.06 0.22 114.38 117.31 1qsf h ARG 82 Ca 0.12 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1qsf h ARG 82 Cb 0.51 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1qsf h ARG 82 CO -0.39 0.17 -0.13 0.78 -1.51 0.00 0.00 179.97 178.88 1qsf h GLY 83 N 0.26 -0.38 -0.91 2.80 0.00 -0.22 -1.61 103.07 103.00 1qsf h GLY 83 Ca 0.55 0.14 0.10 0.00 0.00 0.00 0.00 47.33 48.13 1qsf h GLY 83 CO -0.18 -0.14 -0.47 -1.72 0.00 0.00 0.00 176.54 174.03 1qsf n TYR 84 N -5.07 -0.24 1.36 5.60 4.01 0.02 0.18 117.16 123.02 1qsf n TYR 84 Ca -0.09 1.14 0.09 0.00 -0.16 0.00 0.00 57.90 58.87 1qsf n TYR 84 Cb 0.26 -0.68 0.35 0.00 -0.31 0.00 0.00 39.34 38.96 1qsf n TYR 84 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qsf n TYR 85 N -5.22 0.20 -4.10 -0.72 4.01 -0.91 -4.94 117.16 105.48 1qsf n TYR 85 Ca 0.05 -0.10 -0.30 0.00 -0.16 0.00 0.00 57.90 57.38 1qsf n TYR 85 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.27 1qsf n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qsf n ASN 86 N 0.09 -0.56 -4.94 7.72 4.05 0.13 -4.96 115.26 116.79 1qsf n ASN 86 Ca 0.14 -1.15 -0.24 0.00 0.45 0.00 0.00 54.58 53.77 1qsf n ASN 86 Cb 0.25 -2.33 0.02 0.00 1.23 0.00 0.00 39.78 38.96 1qsf n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1qsf s GLN 87 N -6.95 2.91 0.46 1.20 -0.21 -0.68 -5.04 119.66 111.36 1qsf s GLN 87 Ca 0.09 -0.30 -0.15 0.00 0.02 0.00 0.00 55.36 55.01 1qsf s GLN 87 Cb -0.04 -2.41 -0.08 0.00 1.00 0.00 0.00 33.01 31.48 1qsf s GLN 87 CO 0.94 -0.54 0.91 -1.54 -2.12 0.00 0.00 175.29 172.94 1qsf s SER 88 N -4.29 6.65 0.35 5.90 1.04 -1.26 -4.88 113.70 117.21 1qsf s SER 88 Ca 0.52 1.45 0.27 0.00 0.48 0.00 0.00 55.95 58.67 1qsf s SER 88 Cb -0.10 -2.46 0.98 0.00 0.10 0.00 0.00 66.02 64.54 1qsf s SER 88 CO 0.41 -0.48 1.79 -0.33 0.98 0.00 0.00 173.24 175.61 1qsf h GLU 89 N 1.25 0.00 -0.09 4.02 5.08 -1.98 -3.22 114.58 119.64 1qsf h GLU 89 Ca -0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 1qsf h GLU 89 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1qsf h GLU 89 CO 0.62 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.46 1qsf h ALA 90 N 2.22 1.55 -2.09 3.43 0.00 -1.97 -3.42 119.26 118.97 1qsf h ALA 90 Ca 0.00 -0.21 -0.46 0.00 0.00 0.00 0.00 54.91 54.24 1qsf h ALA 90 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1qsf h ALA 90 CO 0.00 0.33 -0.35 0.20 0.00 0.00 0.00 179.25 179.43 1qsf s GLY 91 N -4.12 1.35 -0.12 0.00 0.00 -1.22 -4.74 107.32 98.47 1qsf s GLY 91 Ca -0.05 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.39 1qsf s GLY 91 CO 0.72 -1.19 0.12 -0.45 0.00 0.00 0.00 173.10 172.30 1qsf s SER 92 N -4.05 6.25 0.21 1.64 0.15 -1.26 -4.60 113.70 112.03 1qsf s SER 92 Ca 0.39 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.54 1qsf s SER 92 Cb -0.09 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1qsf s SER 92 CO 0.31 0.41 -0.13 -1.00 1.20 0.00 0.00 173.24 174.02 1qsf s HIS 93 N -1.01 1.72 -0.02 3.44 3.76 -1.26 -4.94 115.29 116.97 1qsf s HIS 93 Ca 0.15 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.53 1qsf s HIS 93 Cb -0.12 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 1qsf s HIS 93 CO 0.04 0.34 -0.22 0.99 -0.85 0.00 0.00 174.74 175.04 1qsf s THR 94 N -2.99 1.78 0.00 1.30 2.01 -1.26 -1.92 115.64 114.57 1qsf s THR 94 Ca 0.23 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.35 1qsf s THR 94 Cb -0.00 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1qsf s THR 94 CO 0.07 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 1qsf s VAL 95 N -0.43 1.74 0.00 3.82 1.01 -0.21 -0.31 120.40 126.02 1qsf s VAL 95 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1qsf s VAL 95 Cb -0.10 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1qsf s VAL 95 CO -0.00 0.40 -0.00 -1.10 0.00 0.00 0.00 175.10 174.40 1qsf s GLN 96 N -0.75 0.03 -0.00 2.72 -0.21 -0.53 -1.43 119.66 119.49 1qsf s GLN 96 Ca 0.08 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.44 1qsf s GLN 96 Cb -0.09 -0.01 -0.00 0.00 1.00 0.00 0.00 33.01 33.91 1qsf s GLN 96 CO 0.00 0.00 -0.05 0.50 -2.12 0.00 0.00 175.29 173.62 1qsf s ARG 97 N -0.09 0.39 -0.08 2.91 3.52 0.33 -0.85 118.95 125.09 1qsf s ARG 97 Ca -0.01 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1qsf s ARG 97 Cb -0.01 -0.37 0.04 0.00 -1.56 0.00 0.00 34.95 33.06 1qsf s ARG 97 CO -0.00 0.10 0.18 1.41 -0.81 0.00 0.00 175.30 176.18 1qsf s MET 98 N -0.20 0.14 0.06 5.12 1.75 -0.68 -0.67 119.30 124.82 1qsf s MET 98 Ca 0.01 0.40 -0.15 0.00 -1.25 0.00 0.00 55.69 54.70 1qsf s MET 98 Cb -0.02 -0.12 0.03 0.00 2.84 0.00 0.00 34.83 37.55 1qsf s MET 98 CO -0.00 -0.14 0.34 1.52 -0.65 0.00 0.00 175.02 176.09 1qsf s TYR 99 N 1.03 -0.15 -2.06 4.11 -0.85 -1.11 -0.75 117.35 117.57 1qsf s TYR 99 Ca -0.08 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 1qsf s TYR 99 Cb -0.10 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.39 1qsf s TYR 99 CO -0.06 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 1qsf n GLY 100 N 0.37 -0.54 3.34 5.49 0.00 -1.19 -1.32 105.19 111.34 1qsf n GLY 100 Ca -0.18 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1qsf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsf s ASP 102 N -2.91 2.17 0.08 0.00 1.01 -0.98 -1.96 116.67 114.08 1qsf s ASP 102 Ca 0.11 -0.37 0.07 0.00 0.71 0.00 0.00 52.55 53.07 1qsf s ASP 102 Cb 0.03 -0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 1qsf s ASP 102 CO -0.05 0.21 -0.18 0.68 0.21 0.00 0.00 175.17 176.04 1qsf s VAL 103 N -0.51 1.48 0.00 -1.27 -7.23 -0.34 -1.49 120.40 111.05 1qsf s VAL 103 Ca 0.07 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1qsf s VAL 103 Cb -0.07 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1qsf s VAL 103 CO -0.00 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1qsf n GLY 104 N 1.36 -0.42 0.27 2.32 0.00 -0.88 -2.51 105.19 105.33 1qsf n GLY 104 Ca -0.19 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.11 1qsf n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qsf h SER 105 N 0.00 0.35 0.06 1.61 4.64 -1.93 0.51 113.55 118.81 1qsf h SER 105 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1qsf h SER 105 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1qsf h SER 105 CO 0.00 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 175.47 1qsf n ASP 106 N -4.34 0.00 -1.96 4.97 5.68 -1.26 -4.86 116.55 114.78 1qsf n ASP 106 Ca 0.01 -0.67 -0.20 0.00 -0.50 0.00 0.00 54.79 53.42 1qsf n ASP 106 Cb 0.20 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1qsf n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1qsf n TRP 107 N -1.04 -0.48 -2.98 2.11 7.02 0.18 -4.99 117.44 117.26 1qsf n TRP 107 Ca 0.17 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.48 1qsf n TRP 107 Cb 0.10 -3.66 0.01 0.00 -2.42 0.00 0.00 31.31 25.34 1qsf n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1qsf s ARG 108 N -4.33 2.81 0.80 -0.99 0.52 -1.26 -4.71 118.95 111.79 1qsf s ARG 108 Ca 0.00 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.86 1qsf s ARG 108 Cb 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1qsf s ARG 108 CO 0.00 -0.31 0.59 0.34 0.02 0.00 0.00 175.30 175.94 1qsf n PHE 109 N -1.89 -0.69 0.00 -0.53 7.35 -1.26 -2.08 117.46 118.36 1qsf n PHE 109 Ca 0.08 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1qsf n PHE 109 Cb 0.59 -1.91 0.00 0.00 0.35 0.00 0.00 39.48 38.52 1qsf n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1qsf n LEU 110 N -1.01 0.00 -3.66 -2.13 7.94 -0.56 -4.60 117.00 112.98 1qsf n LEU 110 Ca 0.10 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.88 1qsf n LEU 110 Cb 0.51 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 1qsf n LEU 110 CO 0.50 0.00 0.14 -0.13 -1.11 0.00 0.00 177.39 176.79 1qsf s ARG 111 N -1.00 1.00 -0.00 1.96 0.52 -1.17 -4.97 118.95 115.29 1qsf s ARG 111 Ca 0.00 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1qsf s ARG 111 Cb 0.00 0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.91 1qsf s ARG 111 CO 0.00 -0.37 0.01 0.20 0.02 0.00 0.00 175.30 175.16 1qsf s GLY 112 N -2.51 0.03 0.20 -3.53 0.00 -1.26 -2.32 107.32 97.92 1qsf s GLY 112 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.66 1qsf s GLY 112 CO -0.08 -0.09 0.07 -0.19 0.00 0.00 0.00 173.10 172.80 1qsf s TYR 113 N -0.30 1.25 0.00 1.90 1.51 -0.83 -4.85 117.35 116.03 1qsf s TYR 113 Ca -0.03 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 54.85 1qsf s TYR 113 Cb -0.02 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 1qsf s TYR 113 CO -0.00 -0.38 0.00 1.58 -1.11 0.00 0.00 175.55 175.63 1qsf n HIS 114 N -0.29 0.00 -3.87 2.71 -0.00 -1.23 -3.15 115.22 109.38 1qsf n HIS 114 Ca -0.03 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.83 1qsf n HIS 114 Cb 0.65 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.47 1qsf n HIS 114 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qsf s GLN 115 N 0.00 3.47 -0.05 1.57 1.11 0.07 -2.27 119.66 123.56 1qsf s GLN 115 Ca 0.00 -0.34 0.02 0.00 0.01 0.00 0.00 55.36 55.05 1qsf s GLN 115 Cb 0.00 -3.03 0.02 0.00 -1.01 0.00 0.00 33.01 28.98 1qsf s GLN 115 CO 0.00 0.61 -0.09 -0.47 0.01 0.00 0.00 175.29 175.35 1qsf s TYR 116 N -1.46 1.15 0.13 0.91 6.14 0.24 -1.69 117.35 122.77 1qsf s TYR 116 Ca 0.33 -0.39 0.07 0.00 0.64 0.00 0.00 57.07 57.73 1qsf s TYR 116 Cb -0.13 -0.88 -0.04 0.00 0.42 0.00 0.00 41.96 41.33 1qsf s TYR 116 CO 0.24 -0.22 -0.18 0.00 0.64 0.00 0.00 175.55 176.03 1qsf s ALA 117 N 0.69 1.76 -0.01 3.97 0.00 -0.03 0.32 121.76 128.46 1qsf s ALA 117 Ca -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1qsf s ALA 117 Cb -0.15 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1qsf s ALA 117 CO 0.02 0.23 -0.02 -0.47 0.00 0.00 0.00 175.76 175.52 1qsf s TYR 118 N -1.79 0.26 -1.77 0.00 5.04 -1.03 -1.45 117.35 116.60 1qsf s TYR 118 Ca 0.10 -0.03 -0.20 0.00 -2.44 0.00 0.00 57.07 54.50 1qsf s TYR 118 Cb -0.07 -0.24 0.19 0.00 0.35 0.00 0.00 41.96 42.19 1qsf s TYR 118 CO 0.05 -0.04 0.69 -0.25 -1.34 0.00 0.00 175.55 174.66 1qsf n ASP 119 N 3.38 -2.58 0.00 4.32 8.00 0.57 -1.20 116.55 129.04 1qsf n ASP 119 Ca -0.17 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1qsf n ASP 119 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.40 1qsf n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qsf n GLY 120 N -1.29 0.76 3.12 0.44 0.00 -1.26 -4.99 105.19 101.96 1qsf n GLY 120 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1qsf n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qsf s LYS 121 N -0.27 0.28 0.04 1.61 -2.85 -0.34 -5.11 119.74 113.10 1qsf s LYS 121 Ca 0.00 0.46 -0.13 0.00 -1.00 0.00 0.00 55.97 55.29 1qsf s LYS 121 Cb 0.00 0.04 -0.07 0.00 -2.06 0.00 0.00 37.83 35.74 1qsf s LYS 121 CO 0.00 -0.09 0.31 -0.25 0.10 0.00 0.00 175.35 175.42 1qsf n ASP 122 N 3.50 -0.25 -0.00 0.03 8.00 -1.26 -2.48 116.55 124.08 1qsf n ASP 122 Ca -0.18 0.45 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 1qsf n ASP 122 Cb 0.56 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1qsf n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qsf n TYR 123 N 0.29 0.00 -3.63 1.24 9.36 0.15 -4.71 117.16 119.85 1qsf n TYR 123 Ca 0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.22 1qsf n TYR 123 Cb 0.07 -0.04 -0.07 0.00 -0.63 0.00 0.00 39.34 38.67 1qsf n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1qsf s ILE 124 N -2.02 0.00 0.02 2.97 2.07 -1.01 -3.18 121.20 120.05 1qsf s ILE 124 Ca -0.01 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.18 1qsf s ILE 124 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 1qsf s ILE 124 CO 0.03 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.14 1qsf s ALA 125 N -0.05 -0.14 0.04 1.50 0.00 -0.86 -0.59 121.76 121.66 1qsf s ALA 125 Ca 0.04 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1qsf s ALA 125 Cb -0.04 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1qsf s ALA 125 CO -0.08 -0.22 0.74 -1.17 0.00 0.00 0.00 175.76 175.03 1qsf s LEU 126 N -1.58 4.45 0.82 0.00 2.96 -0.96 -0.27 118.68 124.10 1qsf s LEU 126 Ca -0.13 1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 55.07 1qsf s LEU 126 Cb -0.07 -3.19 0.08 0.00 0.50 0.00 0.00 46.19 43.52 1qsf s LEU 126 CO -0.01 0.03 1.11 -0.54 -1.32 0.00 0.00 176.35 175.63 1qsf s LYS 127 N -0.09 1.88 0.57 1.98 1.02 -0.19 -4.71 119.74 120.18 1qsf s LYS 127 Ca 0.37 0.53 0.25 0.00 0.02 0.00 0.00 55.97 57.14 1qsf s LYS 127 Cb -0.20 -1.90 1.61 0.00 -0.52 0.00 0.00 37.83 36.81 1qsf s LYS 127 CO 0.22 -1.74 2.20 1.49 -0.92 0.00 0.00 175.35 176.60 1qsf h GLU 128 N -1.17 0.00 0.00 1.68 4.81 -1.89 -1.58 114.58 116.43 1qsf h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1qsf h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1qsf h GLU 128 CO 0.60 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.48 1qsf n ASP 129 N -4.09 0.74 -1.60 1.04 5.75 -1.26 -4.82 116.55 112.31 1qsf n ASP 129 Ca -0.02 0.65 -0.16 0.00 -0.01 0.00 0.00 54.79 55.25 1qsf n ASP 129 Cb 0.13 -0.82 -0.03 0.00 -1.03 0.00 0.00 41.12 39.37 1qsf n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qsf n LEU 130 N -2.28 -1.52 0.00 -2.12 4.77 -0.60 -4.79 117.00 110.46 1qsf n LEU 130 Ca 0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1qsf n LEU 130 Cb 0.28 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1qsf n LEU 130 CO 0.23 -0.40 -0.07 0.54 -1.33 0.00 0.00 177.39 176.36 1qsf n ARG 131 N -2.53 3.08 -4.42 3.23 5.12 -1.26 -4.60 116.66 115.29 1qsf n ARG 131 Ca -0.18 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.47 1qsf n ARG 131 Cb 0.60 -0.38 -0.12 0.00 -1.16 0.00 0.00 32.46 31.40 1qsf n ARG 131 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1qsf s SER 132 N -0.43 3.42 0.03 0.55 0.15 -1.26 -4.94 113.70 111.22 1qsf s SER 132 Ca 0.00 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 55.87 1qsf s SER 132 Cb 0.00 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1qsf s SER 132 CO 0.00 0.12 -0.24 0.26 1.20 0.00 0.00 173.24 174.59 1qsf s TRP 133 N -1.64 2.40 -0.29 3.44 0.52 -1.26 -1.03 118.94 121.08 1qsf s TRP 133 Ca 0.20 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 55.91 1qsf s TRP 133 Cb -0.08 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1qsf s TRP 133 CO 0.10 0.14 0.04 0.99 0.02 0.00 0.00 176.95 178.23 1qsf s THR 134 N -0.80 3.54 0.02 2.01 2.01 0.63 -4.92 115.64 118.12 1qsf s THR 134 Ca 0.12 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 1qsf s THR 134 Cb -0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1qsf s THR 134 CO 0.02 0.05 0.32 0.00 -0.69 0.00 0.00 174.62 174.32 1qsf s ALA 135 N 1.41 3.80 -2.76 7.40 0.00 -1.26 -2.02 121.76 128.33 1qsf s ALA 135 Ca 0.00 -0.48 0.26 0.00 0.00 0.00 0.00 51.96 51.74 1qsf s ALA 135 Cb -0.18 -2.16 0.53 0.00 0.00 0.00 0.00 23.12 21.31 1qsf s ALA 135 CO 0.00 0.60 1.45 0.00 0.00 0.00 0.00 175.76 177.81 1qsf n ALA 136 N 1.18 2.55 -3.21 0.00 0.00 -1.19 -4.98 120.51 114.85 1qsf n ALA 136 Ca -0.11 -0.59 0.03 0.00 0.00 0.00 0.00 53.44 52.77 1qsf n ALA 136 Cb 0.53 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1qsf n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qsf n ASP 137 N 0.82 -0.31 0.03 0.00 5.75 -1.26 -4.98 116.55 116.60 1qsf n ASP 137 Ca 0.16 -1.11 -0.06 0.00 -0.01 0.00 0.00 54.79 53.77 1qsf n ASP 137 Cb 0.50 0.49 0.13 0.00 -1.03 0.00 0.00 41.12 41.21 1qsf n ASP 137 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1qsf h MET 138 N 0.00 0.46 0.38 0.11 2.86 -2.00 -2.92 114.93 113.80 1qsf h MET 138 Ca -0.05 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1qsf h MET 138 Cb 0.26 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1qsf h MET 138 CO 0.07 0.81 -0.18 0.00 1.06 0.00 0.00 176.91 178.67 1qsf h ALA 139 N 1.16 -0.50 0.00 6.32 0.00 -1.95 -2.68 119.26 121.60 1qsf h ALA 139 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qsf h ALA 139 Cb 0.92 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1qsf h ALA 139 CO 0.08 -0.66 0.08 0.00 0.00 0.00 0.00 179.25 178.75 1qsf n ALA 140 N -2.45 0.85 -0.03 0.00 0.00 -1.20 -0.94 120.51 116.72 1qsf n ALA 140 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1qsf n ALA 140 Cb 0.27 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1qsf n ALA 140 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1qsf h GLN 141 N 0.00 0.05 -0.85 0.00 1.08 -1.28 -2.22 115.11 111.89 1qsf h GLN 141 Ca 0.00 -0.04 0.21 0.00 -1.45 0.00 0.00 58.65 57.37 1qsf h GLN 141 Cb 0.17 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 27.47 1qsf h GLN 141 CO 0.00 0.72 0.27 1.15 -0.95 0.00 0.00 178.83 180.02 1qsf h THR 142 N -0.62 0.41 -0.62 -0.54 2.02 -1.11 0.70 112.91 113.15 1qsf h THR 142 Ca -0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1qsf h THR 142 Cb 0.73 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1qsf h THR 142 CO 0.01 0.05 0.12 0.74 0.37 0.00 0.00 175.52 176.81 1qsf h THR 143 N 0.28 1.26 0.32 3.16 2.02 -1.56 -0.41 112.91 117.98 1qsf h THR 143 Ca 0.52 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1qsf h THR 143 Cb 1.00 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1qsf h THR 143 CO -0.59 0.36 -0.16 0.50 0.37 0.00 0.00 175.52 176.01 1qsf h LYS 144 N 0.92 -0.42 -0.03 6.66 3.64 0.85 0.60 116.57 128.78 1qsf h LYS 144 Ca 0.19 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1qsf h LYS 144 Cb 0.40 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1qsf h LYS 144 CO 0.01 -0.28 0.02 0.45 -2.27 0.00 0.00 179.45 177.38 1qsf h HIS 145 N -0.44 0.05 -0.84 1.91 3.86 -0.41 -0.59 115.15 118.69 1qsf h HIS 145 Ca -0.04 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.34 1qsf h HIS 145 Cb 0.34 -0.01 -0.11 0.00 1.06 0.00 0.00 27.41 28.69 1qsf h HIS 145 CO -0.06 0.06 0.37 -0.22 0.86 0.00 0.00 177.93 178.95 1qsf h LYS 146 N 0.01 0.47 0.02 2.45 3.64 -0.90 -1.39 116.57 120.87 1qsf h LYS 146 Ca 0.01 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1qsf h LYS 146 Cb 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1qsf h LYS 146 CO -0.00 0.31 -1.00 -1.49 -2.27 0.00 0.00 179.45 175.00 1qsf h TRP 147 N 0.48 0.08 0.00 1.91 4.06 -0.59 -3.04 115.95 118.86 1qsf h TRP 147 Ca 0.48 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.37 1qsf h TRP 147 Cb 0.79 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.94 1qsf h TRP 147 CO -0.13 1.01 0.00 0.39 -3.56 0.00 0.00 178.44 176.14 1qsf n GLU 148 N -3.43 0.05 -0.04 0.49 1.02 -0.25 -2.09 120.64 116.38 1qsf n GLU 148 Ca -0.01 0.28 0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1qsf n GLU 148 Cb 0.92 -1.59 -0.15 0.00 -0.02 0.00 0.00 31.44 30.60 1qsf n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qsf n ALA 149 N -1.57 2.17 1.01 0.62 0.00 -0.86 -4.33 120.51 117.55 1qsf n ALA 149 Ca 0.03 -0.87 0.12 0.00 0.00 0.00 0.00 53.44 52.72 1qsf n ALA 149 Cb 0.19 -0.53 0.16 0.00 0.00 0.00 0.00 19.45 19.27 1qsf n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qsf n ALA 150 N -2.48 3.83 -2.81 0.00 0.00 -1.00 -4.99 120.51 113.06 1qsf n ALA 150 Ca -0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1qsf n ALA 150 Cb 0.85 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.31 1qsf n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qsf n HIS 151 N -1.45 -1.21 -0.06 0.00 -0.00 -0.89 -4.97 115.22 106.64 1qsf n HIS 151 Ca 0.05 0.50 -0.14 0.00 -0.00 0.00 0.00 57.72 58.13 1qsf n HIS 151 Cb 0.34 -3.48 -0.07 0.00 -0.00 0.00 0.00 29.99 26.78 1qsf n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1qsf h VAL 152 N -1.08 1.34 -0.82 1.59 2.07 -1.90 -2.80 116.25 114.66 1qsf h VAL 152 Ca -0.30 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 65.84 1qsf h VAL 152 Cb 1.18 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 1qsf h VAL 152 CO 0.27 0.44 0.49 0.00 0.02 0.00 0.00 177.57 178.78 1qsf h ALA 153 N 0.61 1.12 0.02 1.67 0.00 -1.88 0.12 119.26 120.92 1qsf h ALA 153 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qsf h ALA 153 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1qsf h ALA 153 CO 0.06 0.21 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 1qsf h GLU 154 N 0.90 -0.02 -0.16 0.00 4.81 -1.79 -1.83 114.58 116.48 1qsf h GLU 154 Ca 0.36 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1qsf h GLU 154 Cb 0.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1qsf h GLU 154 CO -0.18 -0.01 -0.43 0.37 -0.73 0.00 0.00 179.01 178.03 1qsf h GLN 155 N -0.03 0.57 -0.09 1.92 5.75 -1.19 -3.10 115.11 118.94 1qsf h GLN 155 Ca -0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 58.65 58.10 1qsf h GLN 155 Cb 0.03 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1qsf h GLN 155 CO 0.00 1.02 0.04 -0.07 -2.65 0.00 0.00 178.83 177.18 1qsf h LEU 156 N 0.22 0.06 -0.99 -2.39 3.38 -0.77 -1.79 115.31 113.05 1qsf h LEU 156 Ca -0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1qsf h LEU 156 Cb 1.05 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1qsf h LEU 156 CO 0.09 0.05 0.61 -0.09 0.09 0.00 0.00 178.44 179.19 1qsf h ARG 157 N 0.09 0.86 -0.91 1.13 2.43 -1.42 0.76 114.38 117.33 1qsf h ARG 157 Ca 0.04 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1qsf h ARG 157 Cb 0.01 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1qsf h ARG 157 CO -0.03 0.57 0.53 0.00 -1.51 0.00 0.00 179.97 179.53 1qsf h ALA 158 N 1.57 1.16 0.51 2.80 0.00 -1.35 0.13 119.26 124.10 1qsf h ALA 158 Ca 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1qsf h ALA 158 Cb 0.63 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qsf h ALA 158 CO -0.31 0.65 -0.25 -0.92 0.00 0.00 0.00 179.25 178.42 1qsf h TYR 159 N 1.27 -0.64 -0.57 0.00 3.20 0.17 -1.64 116.97 118.76 1qsf h TYR 159 Ca 0.32 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.29 1qsf h TYR 159 Cb -0.01 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.38 1qsf h TYR 159 CO 0.01 -0.40 0.07 -0.07 -1.64 0.00 0.00 178.16 176.13 1qsf h LEU 160 N -1.02 -0.10 -0.26 2.82 3.38 0.43 0.82 115.31 121.38 1qsf h LEU 160 Ca -0.07 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1qsf h LEU 160 Cb 0.53 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1qsf h LEU 160 CO 0.12 -0.03 -0.41 -0.33 0.09 0.00 0.00 178.44 177.87 1qsf h GLU 161 N 0.19 0.00 0.00 1.13 5.08 -0.85 -3.37 114.58 116.76 1qsf h GLU 161 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1qsf h GLU 161 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1qsf h GLU 161 CO -0.42 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1qsf n GLY 162 N 0.96 0.10 0.44 -3.84 0.00 -0.62 -4.70 105.19 97.53 1qsf n GLY 162 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.30 1qsf n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qsf h THR 163 N 0.00 0.61 0.14 2.61 2.02 -1.55 -1.36 112.91 115.38 1qsf h THR 163 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1qsf h THR 163 Cb 0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1qsf h THR 163 CO 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.83 1qsf h VAL 165 N -0.40 1.30 -0.37 0.00 -1.51 -1.53 -1.37 116.25 112.38 1qsf h VAL 165 Ca -0.02 -1.56 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 1qsf h VAL 165 Cb 0.32 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 1qsf h VAL 165 CO 0.03 0.49 0.18 -0.33 -1.23 0.00 0.00 177.57 176.70 1qsf h GLU 166 N 0.38 0.53 -0.01 5.19 5.08 -1.19 -1.72 114.58 122.83 1qsf h GLU 166 Ca 0.03 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1qsf h GLU 166 Cb 0.88 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1qsf h GLU 166 CO 0.07 0.47 -0.71 -1.49 -1.00 0.00 0.00 179.01 176.35 1qsf h TRP 167 N 0.46 0.11 -0.78 4.33 4.06 -1.10 -2.66 115.95 120.38 1qsf h TRP 167 Ca 0.13 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 1qsf h TRP 167 Cb 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 1qsf h TRP 167 CO -0.02 0.76 0.32 1.25 -3.56 0.00 0.00 178.44 177.20 1qsf h LEU 168 N 0.05 1.06 -0.72 -4.49 5.85 -1.10 -0.71 115.31 115.25 1qsf h LEU 168 Ca -0.01 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1qsf h LEU 168 Cb 1.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1qsf h LEU 168 CO 0.10 0.93 0.14 0.03 -0.34 0.00 0.00 178.44 179.30 1qsf h ARG 169 N 1.12 1.11 -0.78 1.25 3.08 -1.24 -0.87 114.38 118.05 1qsf h ARG 169 Ca 0.26 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1qsf h ARG 169 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1qsf h ARG 169 CO -0.02 1.00 0.37 -0.09 -1.07 0.00 0.00 179.97 180.15 1qsf h ARG 170 N 1.05 1.12 -0.17 0.04 2.43 -1.02 -2.30 114.38 115.54 1qsf h ARG 170 Ca 0.21 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1qsf h ARG 170 Cb 0.41 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1qsf h ARG 170 CO 0.01 0.88 -0.04 1.88 -1.51 0.00 0.00 179.97 181.18 1qsf h TYR 171 N 1.10 0.36 -0.60 2.20 0.05 -0.85 -2.12 116.97 117.11 1qsf h TYR 171 Ca 0.27 -0.08 0.11 0.00 0.05 0.00 0.00 58.73 59.08 1qsf h TYR 171 Cb 0.13 -0.09 -0.09 0.00 1.01 0.00 0.00 36.73 37.69 1qsf h TYR 171 CO 0.01 0.60 0.11 -0.07 -1.05 0.00 0.00 178.16 177.76 1qsf h LEU 172 N 0.03 -0.03 -0.50 3.88 3.38 -0.93 0.83 115.31 121.97 1qsf h LEU 172 Ca 0.04 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1qsf h LEU 172 Cb 0.48 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1qsf h LEU 172 CO 0.02 -0.00 0.11 1.05 0.09 0.00 0.00 178.44 179.70 1qsf h GLU 173 N 0.24 0.80 -0.10 1.13 4.11 -1.39 -1.96 114.58 117.42 1qsf h GLU 173 Ca 0.31 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 59.43 1qsf h GLU 173 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1qsf h GLU 173 CO -0.41 0.78 -0.46 -0.91 0.07 0.00 0.00 179.01 178.08 1qsf h ASN 174 N 0.68 0.25 -0.93 3.06 4.21 -0.47 -2.59 115.58 119.79 1qsf h ASN 174 Ca 0.15 -0.11 -0.47 0.00 1.21 0.00 0.00 56.30 57.08 1qsf h ASN 174 Cb 0.35 -0.07 -0.28 0.00 -1.12 0.00 0.00 38.32 37.20 1qsf h ASN 174 CO 0.00 0.68 0.57 0.61 -1.29 0.00 0.00 177.43 178.01 1qsf n GLY 175 N -0.07 4.45 0.00 2.83 0.00 0.27 -4.76 105.19 107.91 1qsf n GLY 175 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1qsf n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qsf n LYS 176 N -1.05 0.00 0.00 1.61 4.81 -0.75 0.16 118.16 122.93 1qsf n LYS 176 Ca 0.56 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.70 1qsf n LYS 176 Cb 1.61 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1qsf n LYS 176 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1qsf n GLU 177 N -1.98 0.00 0.00 1.64 1.02 -1.26 -2.41 120.64 117.65 1qsf n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1qsf n GLU 177 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1qsf n GLU 177 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1qsf n THR 178 N -0.65 0.00 0.08 2.62 -1.04 0.81 -4.78 114.28 111.33 1qsf n THR 178 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1qsf n THR 178 Cb 0.00 -0.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 1qsf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1qsf h LEU 179 N 0.00 0.20 -1.07 -4.42 3.38 0.15 -3.27 115.31 110.28 1qsf h LEU 179 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1qsf h LEU 179 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qsf h LEU 179 CO 0.00 1.14 0.00 0.00 0.09 0.00 0.00 178.44 179.67 1qsf n GLN 180 N -3.47 1.70 -2.72 1.13 6.02 -1.01 -4.87 117.38 114.16 1qsf n GLN 180 Ca -0.04 -1.06 -0.38 0.00 -0.01 0.00 0.00 57.00 55.51 1qsf n GLN 180 Cb 0.95 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.77 1qsf n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1qsf s ARG 181 N -1.79 4.61 -0.28 -1.09 1.70 -1.24 -5.04 118.95 115.82 1qsf s ARG 181 Ca 0.32 1.42 -0.01 0.00 -0.47 0.00 0.00 55.73 57.00 1qsf s ARG 181 Cb 0.17 -2.92 0.09 0.00 -0.57 0.00 0.00 34.95 31.72 1qsf s ARG 181 CO 0.26 0.29 0.06 0.99 -1.08 0.00 0.00 175.30 175.82 1qsf s THR 182 N -1.48 0.99 -0.15 4.99 2.01 -1.26 -4.74 115.64 115.99 1qsf s THR 182 Ca 0.48 -1.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 1qsf s THR 182 Cb -0.22 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1qsf s THR 182 CO 0.27 -0.51 0.54 -1.81 -0.69 0.00 0.00 174.62 172.42 1qsf s ASP 183 N 1.58 6.68 0.02 3.53 1.01 0.30 -4.83 116.67 124.96 1qsf s ASP 183 Ca 0.06 0.82 -0.28 0.00 0.71 0.00 0.00 52.55 53.86 1qsf s ASP 183 Cb -0.18 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1qsf s ASP 183 CO -0.19 -0.11 0.87 0.00 0.21 0.00 0.00 175.17 175.95 1qsf s ALA 184 N 1.16 3.26 0.22 5.23 0.00 -1.26 -1.52 121.76 128.85 1qsf s ALA 184 Ca 0.27 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.32 1qsf s ALA 184 Cb -0.16 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1qsf s ALA 184 CO 0.11 -0.09 1.69 -1.25 0.00 0.00 0.00 175.76 176.22 1qsf s PRO 185 N 0.50 4.13 -1.29 0.00 0.04 -1.26 -4.58 135.00 132.53 1qsf s PRO 185 Ca 0.45 2.59 -0.12 0.00 0.04 0.00 0.00 61.00 63.96 1qsf s PRO 185 Cb -0.21 -3.07 0.14 0.00 0.04 0.00 0.00 34.50 31.40 1qsf s PRO 185 CO 0.25 -0.73 1.77 1.63 0.04 0.00 0.00 177.00 179.97 1qsf n LYS 186 N 3.65 3.38 -1.38 4.56 5.02 0.10 -4.75 118.16 128.74 1qsf n LYS 186 Ca 0.14 -3.47 -0.32 0.00 -2.02 0.00 0.00 58.31 52.64 1qsf n LYS 186 Cb 0.36 -3.08 0.08 0.00 -0.02 0.00 0.00 35.03 32.37 1qsf n LYS 186 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qsf s THR 187 N 1.61 3.09 0.00 -0.18 -4.23 -1.25 -3.97 115.64 110.72 1qsf s THR 187 Ca 0.43 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1qsf s THR 187 Cb 0.06 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1qsf s THR 187 CO -0.00 -0.41 0.00 0.00 -0.54 0.00 0.00 174.62 173.67 1qsf n HIS 188 N -3.18 0.00 -4.41 3.99 1.44 -1.07 -5.00 115.22 106.99 1qsf n HIS 188 Ca 0.10 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.54 1qsf n HIS 188 Cb 0.52 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.50 1qsf n HIS 188 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1qsf s MET 189 N -2.00 1.35 0.16 -1.40 1.75 -1.26 -1.12 119.30 116.77 1qsf s MET 189 Ca 0.00 -1.26 0.08 0.00 -1.25 0.00 0.00 55.69 53.27 1qsf s MET 189 Cb 0.00 -1.74 -0.04 0.00 2.84 0.00 0.00 34.83 35.89 1qsf s MET 189 CO 0.00 0.41 -0.18 0.95 -0.65 0.00 0.00 175.02 175.55 1qsf s THR 190 N -1.06 1.79 -0.12 10.11 -4.23 -0.45 -5.00 115.64 116.68 1qsf s THR 190 Ca 0.11 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1qsf s THR 190 Cb -0.10 -1.80 0.04 0.00 1.34 0.00 0.00 72.50 71.98 1qsf s THR 190 CO 0.05 -0.29 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.55 1qsf s HIS 191 N -1.94 1.07 0.31 3.99 5.04 -1.26 -1.89 115.29 120.61 1qsf s HIS 191 Ca 0.14 -0.59 0.09 0.00 -1.54 0.00 0.00 55.06 53.17 1qsf s HIS 191 Cb -0.06 -1.02 -0.04 0.00 0.04 0.00 0.00 32.58 31.49 1qsf s HIS 191 CO 0.06 -0.48 0.05 -3.38 -2.34 0.00 0.00 174.74 168.66 1qsf s HIS 192 N 1.84 2.67 0.03 3.88 -0.00 -1.06 -5.00 115.29 117.65 1qsf s HIS 192 Ca 0.03 -0.32 0.08 0.00 -0.00 0.00 0.00 55.06 54.85 1qsf s HIS 192 Cb -0.14 -1.40 -0.02 0.00 -0.00 0.00 0.00 32.58 31.01 1qsf s HIS 192 CO -0.07 0.50 -0.22 0.00 -0.00 0.00 0.00 174.74 174.94 1qsf s ALA 193 N -2.40 1.88 -0.20 -1.38 0.00 -1.26 -1.47 121.76 116.94 1qsf s ALA 193 Ca 0.34 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1qsf s ALA 193 Cb -0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 1qsf s ALA 193 CO 0.21 0.44 -0.24 1.33 0.00 0.00 0.00 175.76 177.50 1qsf n VAL 194 N 2.02 1.12 -3.44 0.00 0.24 -0.98 -4.97 118.33 112.31 1qsf n VAL 194 Ca -0.17 -0.33 -0.02 0.00 -2.04 0.00 0.00 64.34 61.79 1qsf n VAL 194 Cb 0.53 -1.60 -0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1qsf n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1qsf n SER 195 N -3.66 -0.21 0.00 -1.34 3.41 -1.23 -4.99 113.62 105.60 1qsf n SER 195 Ca -0.39 -1.22 0.05 0.00 -0.26 0.00 0.00 58.87 57.05 1qsf n SER 195 Cb 0.81 0.37 0.27 0.00 -0.26 0.00 0.00 64.21 65.40 1qsf n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qsf n ASP 196 N -1.72 0.00 0.00 4.04 8.00 -1.26 -4.01 116.55 121.60 1qsf n ASP 196 Ca -0.00 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1qsf n ASP 196 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1qsf n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qsf n HIS 197 N -0.77 0.00 -3.30 1.24 1.44 -1.26 -4.80 115.22 107.77 1qsf n HIS 197 Ca 0.07 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.39 1qsf n HIS 197 Cb 0.03 0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.14 1qsf n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1qsf s GLU 198 N -1.00 4.14 0.33 -1.40 2.02 -1.26 0.41 118.70 121.95 1qsf s GLU 198 Ca 0.00 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.32 1qsf s GLU 198 Cb 0.00 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 1qsf s GLU 198 CO 0.00 -0.17 0.48 0.00 0.02 0.00 0.00 175.26 175.59 1qsf s ALA 199 N 1.72 4.04 -0.16 5.21 0.00 0.42 -2.32 121.76 130.66 1qsf s ALA 199 Ca 0.21 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1qsf s ALA 199 Cb -0.15 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1qsf s ALA 199 CO 0.09 -0.01 -0.14 0.99 0.00 0.00 0.00 175.76 176.69 1qsf s THR 200 N -2.19 1.65 -0.13 0.00 2.01 -0.54 -0.59 115.64 115.85 1qsf s THR 200 Ca 0.42 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1qsf s THR 200 Cb -0.09 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1qsf s THR 200 CO 0.32 0.40 0.33 -0.76 -0.69 0.00 0.00 174.62 174.22 1qsf s LEU 201 N 1.44 4.28 -0.10 4.42 1.43 0.13 -2.56 118.68 127.73 1qsf s LEU 201 Ca 0.04 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1qsf s LEU 201 Cb -0.14 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1qsf s LEU 201 CO -0.10 0.13 -0.06 -0.60 0.23 0.00 0.00 176.35 175.94 1qsf s ARG 202 N 0.24 1.30 0.07 1.70 3.52 -0.79 -0.78 118.95 124.20 1qsf s ARG 202 Ca 0.19 -0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 1qsf s ARG 202 Cb -0.14 -1.41 -0.06 0.00 -1.56 0.00 0.00 34.95 31.78 1qsf s ARG 202 CO 0.06 -0.26 0.51 0.00 -0.81 0.00 0.00 175.30 174.81 1qsf s TRP 204 N -1.20 2.03 -0.16 0.00 0.52 -0.28 -2.10 118.94 117.75 1qsf s TRP 204 Ca 0.30 -0.90 -0.01 0.00 0.02 0.00 0.00 56.10 55.51 1qsf s TRP 204 Cb -0.17 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1qsf s TRP 204 CO 0.17 -0.43 -0.12 0.00 0.02 0.00 0.00 176.95 176.59 1qsf s ALA 205 N 0.78 2.62 0.04 0.98 0.00 0.15 -2.60 121.76 123.74 1qsf s ALA 205 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1qsf s ALA 205 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1qsf s ALA 205 CO 0.02 0.00 -0.04 -0.51 0.00 0.00 0.00 175.76 175.23 1qsf s LEU 206 N 0.75 2.33 -1.55 0.00 1.43 -1.25 -1.56 118.68 118.82 1qsf s LEU 206 Ca -0.05 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1qsf s LEU 206 Cb -0.15 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1qsf s LEU 206 CO 0.01 -0.37 0.36 -1.20 0.23 0.00 0.00 176.35 175.38 1qsf n SER 207 N 1.08 -5.62 -4.93 2.29 7.64 -0.85 0.02 113.62 113.24 1qsf n SER 207 Ca -0.20 -0.17 -0.28 0.00 1.01 0.00 0.00 58.87 59.23 1qsf n SER 207 Cb 0.57 -4.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.13 1qsf n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1qsf s PHE 208 N -3.06 3.50 -0.22 1.43 -0.12 -1.05 -4.52 117.98 113.93 1qsf s PHE 208 Ca 0.19 0.19 -0.16 0.00 -0.05 0.00 0.00 56.93 57.10 1qsf s PHE 208 Cb -0.09 -1.72 0.06 0.00 -0.63 0.00 0.00 43.02 40.65 1qsf s PHE 208 CO 0.24 0.53 0.57 -0.47 -0.05 0.00 0.00 175.22 176.04 1qsf s TYR 209 N -1.67 -0.77 0.83 3.49 5.04 -0.58 -0.12 117.35 123.57 1qsf s TYR 209 Ca 0.35 1.67 -0.14 0.00 -2.44 0.00 0.00 57.07 56.51 1qsf s TYR 209 Cb -0.12 0.37 0.20 0.00 0.35 0.00 0.00 41.96 42.76 1qsf s TYR 209 CO 0.28 -0.39 0.83 -0.35 -1.34 0.00 0.00 175.55 174.58 1qsf n PRO 210 N 3.69 -2.09 0.25 4.97 -0.04 -1.26 -0.54 135.00 139.97 1qsf n PRO 210 Ca -0.18 -1.31 0.11 0.00 -0.04 0.00 0.00 63.50 62.07 1qsf n PRO 210 Cb 0.57 -1.12 0.64 0.00 -0.04 0.00 0.00 33.50 33.55 1qsf n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qsf h ALA 211 N -2.34 1.26 -1.30 0.55 0.00 -1.95 -3.44 119.26 112.04 1qsf h ALA 211 Ca -0.30 -0.15 -0.73 0.00 0.00 0.00 0.00 54.91 53.73 1qsf h ALA 211 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qsf h ALA 211 CO 0.20 0.21 1.06 -1.91 0.00 0.00 0.00 179.25 178.80 1qsf n GLU 212 N -3.67 1.02 -3.55 0.00 4.07 -1.26 -4.88 120.64 112.37 1qsf n GLU 212 Ca -0.02 0.35 -0.12 0.00 -0.06 0.00 0.00 57.16 57.32 1qsf n GLU 212 Cb 0.29 -2.12 -0.05 0.00 -0.06 0.00 0.00 31.44 29.49 1qsf n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1qsf s ILE 213 N 4.62 0.00 -0.32 6.31 2.07 -1.26 -4.62 121.20 127.99 1qsf s ILE 213 Ca 1.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 60.25 1qsf s ILE 213 Cb -1.07 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 40.64 1qsf s ILE 213 CO 0.62 0.00 0.17 -0.89 -1.91 0.00 0.00 174.94 172.93 1qsf s THR 214 N -1.49 0.15 0.03 4.00 2.01 -0.86 -5.00 115.64 114.48 1qsf s THR 214 Ca -0.03 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 60.42 1qsf s THR 214 Cb -0.00 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1qsf s THR 214 CO 0.02 -0.85 0.81 -0.76 -0.69 0.00 0.00 174.62 173.15 1qsf s LEU 215 N 1.55 4.43 0.01 4.42 1.43 -1.26 -2.54 118.68 126.72 1qsf s LEU 215 Ca 0.13 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1qsf s LEU 215 Cb -0.19 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1qsf s LEU 215 CO -0.18 -0.05 -0.06 -0.89 0.23 0.00 0.00 176.35 175.40 1qsf s THR 216 N 0.21 0.42 0.07 5.49 2.01 -0.40 -4.92 115.64 118.52 1qsf s THR 216 Ca 0.41 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1qsf s THR 216 Cb -0.20 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1qsf s THR 216 CO 0.24 -0.05 0.22 0.26 -0.69 0.00 0.00 174.62 174.60 1qsf s TRP 217 N -0.51 3.52 -0.06 4.92 0.23 -1.26 0.61 118.94 126.39 1qsf s TRP 217 Ca -0.02 0.28 -0.29 0.00 -2.03 0.00 0.00 56.10 54.04 1qsf s TRP 217 Cb -0.04 -1.78 0.06 0.00 0.03 0.00 0.00 33.47 31.74 1qsf s TRP 217 CO -0.00 0.58 0.64 -1.14 0.96 0.00 0.00 176.95 177.98 1qsf s GLN 218 N -2.51 1.00 -0.29 4.98 0.74 -0.41 -4.17 119.66 118.99 1qsf s GLN 218 Ca 0.35 0.25 0.03 0.00 0.05 0.00 0.00 55.36 56.04 1qsf s GLN 218 Cb -0.13 0.47 0.07 0.00 1.10 0.00 0.00 33.01 34.52 1qsf s GLN 218 CO 0.28 -0.30 -0.04 0.00 -0.55 0.00 0.00 175.29 174.68 1qsf s ALA 219 N -1.11 2.72 -0.12 1.58 0.00 -1.24 -1.54 121.76 122.05 1qsf s ALA 219 Ca -0.11 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 49.79 1qsf s ALA 219 Cb -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1qsf s ALA 219 CO 0.09 -1.39 0.02 -0.40 0.00 0.00 0.00 175.76 174.08 1qsf n ASP 220 N 4.39 -0.10 0.00 0.00 5.68 -1.25 0.35 116.55 125.61 1qsf n ASP 220 Ca -0.07 -0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1qsf n ASP 220 Cb 0.42 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1qsf n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qsf n GLY 221 N -1.09 0.57 0.00 6.12 0.00 -1.26 -5.08 105.19 104.45 1qsf n GLY 221 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qsf n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qsf n GLU 222 N -2.00 1.51 -3.38 1.61 0.00 1.07 -5.07 120.64 114.38 1qsf n GLU 222 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1qsf n GLU 222 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1qsf n GLU 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qsf n ASP 223 N -1.66 3.45 -0.24 4.31 9.92 -1.26 -3.72 116.55 127.36 1qsf n ASP 223 Ca 0.00 -3.38 0.00 0.00 -0.53 0.00 0.00 54.79 50.88 1qsf n ASP 223 Cb 0.00 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1qsf n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qsf n GLN 224 N 0.86 0.41 0.00 -1.24 6.02 -1.26 -3.35 117.38 118.82 1qsf n GLN 224 Ca 0.29 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.42 1qsf n GLN 224 Cb 0.42 -1.10 0.56 0.00 1.02 0.00 0.00 30.24 31.14 1qsf n GLN 224 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qsf n THR 225 N -0.12 0.00 0.13 5.09 -1.04 -1.26 -3.89 114.28 113.18 1qsf n THR 225 Ca 0.00 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.79 1qsf n THR 225 Cb 0.05 -0.30 -0.15 0.00 -1.82 0.00 0.00 70.33 68.12 1qsf n THR 225 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qsf h GLN 226 N 0.07 0.46 -3.09 -2.82 4.15 -1.96 -3.39 115.11 108.52 1qsf h GLN 226 Ca 0.00 -0.75 -0.65 0.00 0.77 0.00 0.00 58.65 58.02 1qsf h GLN 226 Cb 0.46 0.27 -0.40 0.00 0.21 0.00 0.00 27.48 28.02 1qsf h GLN 226 CO 0.00 1.35 -0.39 -0.25 -1.93 0.00 0.00 178.83 177.61 1qsf n ASP 227 N -3.66 3.53 -0.78 -0.69 8.00 -1.25 -5.01 116.55 116.69 1qsf n ASP 227 Ca -0.13 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.16 1qsf n ASP 227 Cb 1.06 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1qsf n ASP 227 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1qsf n THR 228 N 1.97 0.00 -3.68 -3.53 -1.04 -1.26 -4.75 114.28 102.00 1qsf n THR 228 Ca 0.21 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 62.01 1qsf n THR 228 Cb 0.36 0.00 -0.18 0.00 -1.82 0.00 0.00 70.33 68.69 1qsf n THR 228 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1qsf s GLU 229 N -1.34 0.02 0.20 -2.82 2.12 -0.92 -4.97 118.70 110.99 1qsf s GLU 229 Ca 0.00 0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.68 1qsf s GLU 229 Cb 0.00 -0.72 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 1qsf s GLU 229 CO 0.00 -0.37 0.22 -0.51 -0.54 0.00 0.00 175.26 174.06 1qsf s LEU 230 N 2.14 3.99 0.00 2.70 1.43 -1.26 -2.68 118.68 125.00 1qsf s LEU 230 Ca 0.05 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1qsf s LEU 230 Cb -0.12 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1qsf s LEU 230 CO -0.04 0.01 -0.12 0.68 0.23 0.00 0.00 176.35 177.11 1qsf s VAL 231 N -1.91 0.92 0.26 -1.59 -7.23 -1.23 -5.04 120.40 104.58 1qsf s VAL 231 Ca 0.33 -0.59 -0.31 0.00 -1.81 0.00 0.00 61.98 59.60 1qsf s VAL 231 Cb -0.09 -0.79 -0.13 0.00 0.56 0.00 0.00 36.38 35.93 1qsf s VAL 231 CO 0.26 0.19 1.46 -0.62 -0.31 0.00 0.00 175.10 176.08 1qsf n GLU 232 N 2.61 2.25 -1.66 4.82 -0.58 -1.26 -4.67 120.64 122.16 1qsf n GLU 232 Ca -0.15 0.80 -0.47 0.00 -0.42 0.00 0.00 57.16 56.92 1qsf n GLU 232 Cb 0.56 -2.49 -0.05 0.00 -0.57 0.00 0.00 31.44 28.89 1qsf n GLU 232 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1qsf n THR 233 N 1.91 0.05 -4.48 2.62 -1.04 -1.26 -4.86 114.28 107.22 1qsf n THR 233 Ca 0.10 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.80 1qsf n THR 233 Cb 0.33 -1.43 -0.12 0.00 -1.82 0.00 0.00 70.33 67.30 1qsf n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qsf s ARG 234 N 1.13 2.00 0.56 -2.82 1.70 0.05 -4.94 118.95 116.62 1qsf s ARG 234 Ca 0.81 -1.04 -0.18 0.00 -0.47 0.00 0.00 55.73 54.85 1qsf s ARG 234 Cb -0.74 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 31.40 1qsf s ARG 234 CO 0.41 0.52 1.06 -1.25 -1.08 0.00 0.00 175.30 174.96 1qsf s PRO 235 N -1.77 3.44 0.02 3.89 0.04 -1.26 0.00 135.00 139.37 1qsf s PRO 235 Ca 0.17 1.32 0.22 0.00 0.04 0.00 0.00 61.00 62.75 1qsf s PRO 235 Cb -0.11 -2.04 -0.24 0.00 0.04 0.00 0.00 34.50 32.15 1qsf s PRO 235 CO 0.08 -0.73 0.66 0.00 0.04 0.00 0.00 177.00 177.05 1qsf n ALA 236 N -1.62 2.94 0.00 8.56 0.00 0.07 -4.76 120.51 125.70 1qsf n ALA 236 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1qsf n ALA 236 Cb 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1qsf n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qsf n GLY 237 N 1.27 0.30 0.14 0.00 0.00 -1.26 -4.91 105.19 100.73 1qsf n GLY 237 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1qsf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qsf n ASP 238 N 0.00 2.16 0.00 1.61 5.68 -1.26 -4.97 116.55 119.77 1qsf n ASP 238 Ca 0.00 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.20 1qsf n ASP 238 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1qsf n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qsf n GLY 239 N -1.32 0.65 3.66 6.12 0.00 -1.26 -5.06 105.19 107.97 1qsf n GLY 239 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1qsf n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qsf s THR 240 N -2.50 2.03 0.32 2.61 -4.23 -1.26 -4.86 115.64 107.75 1qsf s THR 240 Ca 0.00 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1qsf s THR 240 Cb 0.00 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 1qsf s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 1qsf s PHE 241 N -2.69 2.20 0.04 3.99 0.40 0.83 -0.75 117.98 121.99 1qsf s PHE 241 Ca 0.35 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1qsf s PHE 241 Cb 0.08 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 1qsf s PHE 241 CO 0.18 0.43 -0.08 -0.65 0.70 0.00 0.00 175.22 175.81 1qsf s GLN 242 N -3.67 0.55 -0.10 0.44 -0.21 0.10 -2.01 119.66 114.75 1qsf s GLN 242 Ca 0.31 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.68 1qsf s GLN 242 Cb 0.03 -0.36 0.11 0.00 1.00 0.00 0.00 33.01 33.80 1qsf s GLN 242 CO 0.14 0.07 0.89 0.21 -2.12 0.00 0.00 175.29 174.48 1qsf s LYS 243 N -1.45 0.77 0.13 2.91 2.20 -0.60 -0.77 119.74 122.93 1qsf s LYS 243 Ca -0.08 0.09 -0.14 0.00 -0.36 0.00 0.00 55.97 55.48 1qsf s LYS 243 Cb -0.09 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1qsf s LYS 243 CO 0.00 -0.26 0.36 1.67 -0.36 0.00 0.00 175.35 176.77 1qsf s TRP 244 N -1.53 -0.03 0.01 4.03 1.48 -1.26 -0.67 118.94 120.97 1qsf s TRP 244 Ca -0.03 -0.32 0.00 0.00 -1.06 0.00 0.00 56.10 54.69 1qsf s TRP 244 Cb -0.00 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.46 1qsf s TRP 244 CO 0.02 -0.71 -0.02 0.00 -4.06 0.00 0.00 176.95 172.18 1qsf s ALA 245 N -3.85 0.11 -0.03 2.67 0.00 -0.89 -3.47 121.76 116.30 1qsf s ALA 245 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1qsf s ALA 245 Cb 0.02 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1qsf s ALA 245 CO -0.09 -0.09 0.22 0.00 0.00 0.00 0.00 175.76 175.81 1qsf s ALA 246 N -0.88 -0.54 0.14 0.00 0.00 -1.09 0.39 121.76 119.77 1qsf s ALA 246 Ca -0.09 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1qsf s ALA 246 Cb -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1qsf s ALA 246 CO -0.01 -0.20 -0.07 0.14 0.00 0.00 0.00 175.76 175.63 1qsf s VAL 247 N -0.99 0.93 -0.12 0.00 -7.23 0.04 -2.17 120.40 110.87 1qsf s VAL 247 Ca -0.11 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1qsf s VAL 247 Cb -0.05 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1qsf s VAL 247 CO 0.02 -0.72 -0.02 0.68 -0.31 0.00 0.00 175.10 174.75 1qsf s VAL 248 N -3.48 4.11 -0.18 1.32 -7.23 -1.26 0.22 120.40 113.90 1qsf s VAL 248 Ca 0.17 -0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 59.86 1qsf s VAL 248 Cb 0.04 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.27 1qsf s VAL 248 CO -0.00 0.55 0.50 -0.69 -0.31 0.00 0.00 175.10 175.15 1qsf s VAL 249 N -0.31 0.00 0.17 1.32 1.01 0.24 -4.93 120.40 117.91 1qsf s VAL 249 Ca 0.06 -0.01 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 1qsf s VAL 249 Cb -0.12 -0.71 -0.11 0.00 0.00 0.00 0.00 36.38 35.44 1qsf s VAL 249 CO 0.02 -0.01 1.73 -2.84 0.00 0.00 0.00 175.10 174.00 1qsf s PRO 250 N 0.20 4.14 -0.49 2.72 0.02 -1.24 0.16 135.00 140.51 1qsf s PRO 250 Ca -0.01 2.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 1qsf s PRO 250 Cb -0.03 -3.26 -0.17 0.00 0.02 0.00 0.00 34.50 31.06 1qsf s PRO 250 CO 0.01 -0.76 1.17 0.43 -0.33 0.00 0.00 177.00 177.53 1qsf n SER 251 N 4.53 -0.96 0.00 2.53 7.64 1.39 -2.98 113.62 125.77 1qsf n SER 251 Ca 0.16 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1qsf n SER 251 Cb 0.37 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1qsf n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qsf n GLY 252 N 3.22 -1.58 2.19 0.23 0.00 -1.26 -5.00 105.19 102.99 1qsf n GLY 252 Ca 0.33 0.69 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1qsf n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qsf n GLN 253 N 0.00 0.00 0.00 1.61 3.00 -1.16 -3.84 117.38 116.99 1qsf n GLN 253 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1qsf n GLN 253 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 30.24 29.50 1qsf n GLN 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1qsf n GLU 254 N 1.43 2.22 0.01 -1.09 1.02 -1.26 -4.51 120.64 118.46 1qsf n GLU 254 Ca 0.00 -0.34 0.11 0.00 -0.02 0.00 0.00 57.16 56.91 1qsf n GLU 254 Cb 0.00 -1.17 0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1qsf n GLU 254 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qsf n GLN 255 N -0.78 0.12 0.00 3.49 0.00 -1.25 -4.10 117.38 114.85 1qsf n GLN 255 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 57.00 57.16 1qsf n GLN 255 Cb 0.25 -1.53 0.27 0.00 0.00 0.00 0.00 30.24 29.23 1qsf n GLN 255 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1qsf n ARG 256 N -1.68 1.53 -2.89 2.61 0.00 -1.26 -4.89 116.66 110.08 1qsf n ARG 256 Ca 0.03 -1.10 -0.31 0.00 -0.00 0.00 0.00 57.85 56.47 1qsf n ARG 256 Cb 0.37 -1.48 -0.04 0.00 -0.00 0.00 0.00 32.46 31.32 1qsf n ARG 256 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1qsf s TYR 257 N -2.23 3.44 0.02 2.89 1.51 -1.26 -3.92 117.35 117.80 1qsf s TYR 257 Ca 0.28 1.15 0.04 0.00 -1.01 0.00 0.00 57.07 57.52 1qsf s TYR 257 Cb 0.20 -2.51 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1qsf s TYR 257 CO 0.42 -0.08 -0.11 0.95 -1.11 0.00 0.00 175.55 175.62 1qsf s THR 258 N -2.29 0.87 -0.21 -0.71 -4.23 -0.59 -4.77 115.64 103.71 1qsf s THR 258 Ca 0.53 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1qsf s THR 258 Cb -0.10 -0.79 0.01 0.00 1.34 0.00 0.00 72.50 72.96 1qsf s THR 258 CO 0.27 0.00 -0.10 0.00 -0.54 0.00 0.00 174.62 174.25 1qsf s HIS 260 N 1.39 3.34 -0.27 0.00 -0.00 0.20 -3.96 115.29 115.98 1qsf s HIS 260 Ca 0.05 -1.53 -0.24 0.00 -0.00 0.00 0.00 55.06 53.33 1qsf s HIS 260 Cb -0.14 -3.71 -0.00 0.00 -0.00 0.00 0.00 32.58 28.73 1qsf s HIS 260 CO -0.07 -1.01 0.81 0.08 -0.00 0.00 0.00 174.74 174.55 1qsf s VAL 261 N 1.40 4.81 -0.14 -5.38 1.01 -1.16 -1.27 120.40 119.67 1qsf s VAL 261 Ca 0.05 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1qsf s VAL 261 Cb -0.27 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1qsf s VAL 261 CO 0.01 -0.16 -0.19 -1.10 0.00 0.00 0.00 175.10 173.66 1qsf s GLN 262 N 2.91 2.77 -0.03 2.72 -0.21 -1.05 -2.47 119.66 124.29 1qsf s GLN 262 Ca 0.34 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 1qsf s GLN 262 Cb -0.15 -2.32 0.07 0.00 1.00 0.00 0.00 33.01 31.62 1qsf s GLN 262 CO 0.10 -0.09 0.66 -1.58 -2.12 0.00 0.00 175.29 172.26 1qsf s HIS 263 N 1.03 -0.64 -1.77 0.91 2.46 -1.26 -2.03 115.29 114.00 1qsf s HIS 263 Ca -0.03 1.04 0.20 0.00 0.47 0.00 0.00 55.06 56.74 1qsf s HIS 263 Cb -0.15 0.41 1.11 0.00 -0.13 0.00 0.00 32.58 33.82 1qsf s HIS 263 CO -0.05 -0.62 1.59 -0.85 -2.47 0.00 0.00 174.74 172.34 1qsf n GLU 264 N 0.83 0.48 -0.05 2.88 0.28 -1.26 -2.08 120.64 121.72 1qsf n GLU 264 Ca -0.19 0.04 0.12 0.00 -0.16 0.00 0.00 57.16 56.98 1qsf n GLU 264 Cb 0.58 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.26 1qsf n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qsf n GLY 265 N 0.29 0.66 3.23 -1.84 0.00 -1.26 -4.83 105.19 101.44 1qsf n GLY 265 Ca 0.13 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1qsf n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qsf s LEU 266 N -1.81 2.51 0.10 0.99 1.43 -0.88 -4.64 118.68 116.38 1qsf s LEU 266 Ca 0.34 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1qsf s LEU 266 Cb 0.20 -1.60 -0.12 0.00 0.03 0.00 0.00 46.19 44.70 1qsf s LEU 266 CO 0.31 0.02 1.63 -0.65 0.23 0.00 0.00 176.35 177.88 1qsf h PRO 267 N 7.82 -0.59 -6.29 1.29 0.11 -1.88 -3.43 132.00 129.03 1qsf h PRO 267 Ca -0.41 0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.05 1qsf h PRO 267 Cb 1.16 0.13 -0.29 0.00 0.11 0.00 0.00 31.00 32.12 1qsf h PRO 267 CO 0.61 -0.39 -0.86 0.15 -0.21 0.00 0.00 178.00 177.30 1qsf s LYS 268 N -6.04 2.40 -0.15 1.05 1.02 -1.26 -5.08 119.74 111.67 1qsf s LYS 268 Ca -0.16 -0.86 -0.36 0.00 0.02 0.00 0.00 55.97 54.60 1qsf s LYS 268 Cb 0.06 -2.18 -0.13 0.00 -0.52 0.00 0.00 37.83 35.06 1qsf s LYS 268 CO 0.64 0.50 1.82 -2.30 -0.92 0.00 0.00 175.35 175.08 1qsf n PRO 269 N 2.63 1.78 -1.96 -1.68 -0.02 -1.26 -4.92 135.00 129.57 1qsf n PRO 269 Ca -0.17 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1qsf n PRO 269 Cb 0.52 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1qsf n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qsf s LEU 270 N 3.74 3.55 0.02 2.45 1.43 -1.03 -4.87 118.68 123.96 1qsf s LEU 270 Ca 0.94 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 56.19 1qsf s LEU 270 Cb -0.84 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 40.80 1qsf s LEU 270 CO 0.57 -1.50 -0.08 -0.89 0.23 0.00 0.00 176.35 174.68 1qsf s THR 271 N -2.04 0.57 0.09 5.49 2.01 -1.26 -2.97 115.64 117.54 1qsf s THR 271 Ca 0.70 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1qsf s THR 271 Cb -0.23 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1qsf s THR 271 CO 0.35 -0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.39 1qsf s LEU 272 N -0.74 2.44 0.06 4.42 1.43 -1.25 -4.97 118.68 120.06 1qsf s LEU 272 Ca -0.02 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1qsf s LEU 272 Cb -0.06 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 1qsf s LEU 272 CO 0.00 -0.34 -0.07 -0.13 0.23 0.00 0.00 176.35 176.04 1qsf s ARG 273 N -3.11 0.62 0.00 1.70 1.81 -1.26 -4.47 118.95 114.24 1qsf s ARG 273 Ca 0.07 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 1qsf s ARG 273 Cb -0.00 -0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1qsf s ARG 273 CO -0.02 0.01 0.00 1.87 -0.68 0.00 0.00 175.30 176.48