#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpf s HIS 3 N 0.00 -0.06 0.20 6.00 3.76 -0.81 -4.98 115.29 119.40 1jpf s HIS 3 Ca 0.00 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.42 1jpf s HIS 3 Cb 0.00 0.23 0.05 0.00 1.11 0.00 0.00 32.58 33.97 1jpf s HIS 3 CO 0.00 -0.77 0.62 -1.54 -0.85 0.00 0.00 174.74 172.20 1jpf s SER 4 N -2.86 -0.41 -0.00 1.40 1.04 -1.26 0.22 113.70 111.83 1jpf s SER 4 Ca 0.07 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 1jpf s SER 4 Cb 0.01 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1jpf s SER 4 CO -0.07 -1.10 0.00 -0.32 0.98 0.00 0.00 173.24 172.74 1jpf s MET 5 N -3.83 0.00 -0.01 4.02 1.75 -0.45 -0.75 119.30 120.03 1jpf s MET 5 Ca 0.06 0.02 -0.07 0.00 -1.25 0.00 0.00 55.69 54.44 1jpf s MET 5 Cb -0.02 -0.02 0.01 0.00 2.84 0.00 0.00 34.83 37.64 1jpf s MET 5 CO -0.05 -0.01 0.15 1.03 -0.65 0.00 0.00 175.02 175.49 1jpf s ARG 6 N 0.08 0.42 -0.14 4.11 1.81 -0.35 -1.54 118.95 123.34 1jpf s ARG 6 Ca -0.01 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 1jpf s ARG 6 Cb -0.01 0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.69 1jpf s ARG 6 CO -0.00 -0.09 -0.15 0.71 -0.68 0.00 0.00 175.30 175.08 1jpf s TYR 7 N -1.01 2.16 -0.23 -0.53 2.02 -0.11 0.32 117.35 119.96 1jpf s TYR 7 Ca -0.11 -1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 55.40 1jpf s TYR 7 Cb -0.06 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1jpf s TYR 7 CO 0.01 -0.61 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.32 1jpf s PHE 8 N 1.27 3.00 0.03 2.71 0.40 0.03 -1.76 117.98 123.66 1jpf s PHE 8 Ca 0.00 -0.84 0.08 0.00 -0.60 0.00 0.00 56.93 55.57 1jpf s PHE 8 Cb -0.14 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1jpf s PHE 8 CO -0.07 -0.51 -0.24 -1.21 0.70 0.00 0.00 175.22 173.88 1jpf s GLU 9 N 1.51 1.75 -0.02 0.44 2.02 -0.12 -1.21 118.70 123.07 1jpf s GLU 9 Ca 0.06 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1jpf s GLU 9 Cb -0.15 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.26 1jpf s GLU 9 CO -0.01 0.48 -0.03 0.99 0.02 0.00 0.00 175.26 176.71 1jpf s THR 10 N -0.73 0.32 -0.08 3.63 2.01 0.71 -1.03 115.64 120.48 1jpf s THR 10 Ca 0.10 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1jpf s THR 10 Cb -0.09 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1jpf s THR 10 CO 0.01 0.13 -0.13 0.00 -0.69 0.00 0.00 174.62 173.94 1jpf s ALA 11 N 0.41 1.36 -0.12 7.40 0.00 -0.31 0.05 121.76 130.55 1jpf s ALA 11 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1jpf s ALA 11 Cb -0.08 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1jpf s ALA 11 CO -0.01 0.06 -0.17 0.08 0.00 0.00 0.00 175.76 175.73 1jpf s VAL 12 N 0.76 1.65 0.17 0.00 1.01 0.11 -1.83 120.40 122.27 1jpf s VAL 12 Ca -0.12 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1jpf s VAL 12 Cb -0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 1jpf s VAL 12 CO 0.03 0.47 1.22 -0.44 0.00 0.00 0.00 175.10 176.38 1jpf s SER 13 N 0.94 7.05 -0.18 3.32 0.01 -0.29 -0.58 113.70 123.98 1jpf s SER 13 Ca -0.07 2.23 -0.03 0.00 1.31 0.00 0.00 55.95 59.39 1jpf s SER 13 Cb -0.15 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1jpf s SER 13 CO -0.02 -0.42 -0.06 -0.13 0.41 0.00 0.00 173.24 173.03 1jpf s ARG 14 N 0.01 3.45 0.06 12.44 0.52 -1.26 -3.77 118.95 130.41 1jpf s ARG 14 Ca 0.55 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.84 1jpf s ARG 14 Cb -0.33 -2.91 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 1jpf s ARG 14 CO 0.35 0.00 1.74 -1.25 0.02 0.00 0.00 175.30 176.17 1jpf s PRO 15 N 0.96 4.17 0.00 3.54 0.04 -1.26 -1.61 135.00 140.84 1jpf s PRO 15 Ca -0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1jpf s PRO 15 Cb -0.15 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1jpf s PRO 15 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1jpf n GLY 16 N 4.15 0.73 3.13 0.56 0.00 -1.26 -5.04 105.19 107.46 1jpf n GLY 16 Ca 0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1jpf n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jpf s LEU 17 N 0.00 1.13 -0.08 0.99 2.96 -0.63 -5.08 118.68 117.96 1jpf s LEU 17 Ca 0.00 0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 1jpf s LEU 17 Cb 0.00 0.84 -0.29 0.00 0.50 0.00 0.00 46.19 47.24 1jpf s LEU 17 CO 0.00 -0.15 0.86 -0.08 -1.32 0.00 0.00 176.35 175.66 1jpf h GLU 18 N 5.42 0.19 -6.07 1.98 4.57 -1.98 -3.40 114.58 115.30 1jpf h GLU 18 Ca -0.27 -0.32 -0.56 0.00 -1.18 0.00 0.00 59.36 57.03 1jpf h GLU 18 Cb 1.19 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1jpf h GLU 18 CO 0.37 1.15 0.09 -1.21 -1.18 0.00 0.00 179.01 178.22 1jpf s GLU 19 N -2.40 4.44 0.74 1.92 0.41 -1.26 -4.98 118.70 117.56 1jpf s GLU 19 Ca -0.15 0.89 -0.12 0.00 -0.41 0.00 0.00 54.97 55.18 1jpf s GLU 19 Cb -0.00 -3.43 0.03 0.00 -1.78 0.00 0.00 34.13 28.95 1jpf s GLU 19 CO 0.78 0.12 1.11 -1.25 -0.49 0.00 0.00 175.26 175.53 1jpf s PRO 20 N 0.60 2.59 -0.22 0.39 0.04 -1.26 -4.71 135.00 132.44 1jpf s PRO 20 Ca 0.37 0.45 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 1jpf s PRO 20 Cb -0.18 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jpf s PRO 20 CO 0.19 -1.22 0.98 0.50 0.04 0.00 0.00 177.00 177.48 1jpf s ARG 21 N -5.35 4.26 -0.14 4.56 6.06 0.26 -4.81 118.95 123.80 1jpf s ARG 21 Ca 0.59 1.26 0.01 0.00 -2.50 0.00 0.00 55.73 55.09 1jpf s ARG 21 Cb -0.12 -3.63 -0.00 0.00 0.06 0.00 0.00 34.95 31.27 1jpf s ARG 21 CO 0.52 -0.55 -0.18 -0.47 -2.50 0.00 0.00 175.30 172.12 1jpf s TYR 22 N 2.93 2.72 -0.05 5.12 5.04 -1.26 0.08 117.35 131.93 1jpf s TYR 22 Ca 0.42 -1.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.06 1jpf s TYR 22 Cb -0.16 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1jpf s TYR 22 CO 0.08 -0.43 -0.08 0.42 -1.34 0.00 0.00 175.55 174.20 1jpf s ILE 23 N 0.63 0.82 -0.06 3.14 1.01 0.11 -1.36 121.20 125.48 1jpf s ILE 23 Ca -0.10 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1jpf s ILE 23 Cb -0.16 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1jpf s ILE 23 CO 0.03 0.28 -0.14 -0.55 0.00 0.00 0.00 174.94 174.56 1jpf s SER 24 N 0.73 1.90 -0.05 3.58 0.15 -0.44 -0.21 113.70 119.37 1jpf s SER 24 Ca -0.12 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1jpf s SER 24 Cb -0.15 -0.81 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1jpf s SER 24 CO 0.02 0.06 -0.12 -0.69 1.20 0.00 0.00 173.24 173.71 1jpf s VAL 25 N 0.52 1.08 0.00 4.45 1.01 -0.35 -0.46 120.40 126.65 1jpf s VAL 25 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jpf s VAL 25 Cb -0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1jpf s VAL 25 CO 0.04 0.33 0.06 -0.83 0.00 0.00 0.00 175.10 174.70 1jpf s GLY 26 N 0.40 1.99 0.02 4.51 0.00 -0.48 -0.79 107.32 112.97 1jpf s GLY 26 Ca -0.09 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1jpf s GLY 26 CO 0.02 -0.78 -0.10 -0.19 0.00 0.00 0.00 173.10 172.05 1jpf s TYR 27 N -1.18 0.91 -0.11 1.90 1.51 0.15 -0.93 117.35 119.60 1jpf s TYR 27 Ca 0.23 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1jpf s TYR 27 Cb -0.12 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1jpf s TYR 27 CO 0.14 -0.01 -0.13 0.08 -1.11 0.00 0.00 175.55 174.51 1jpf s VAL 28 N -0.73 1.37 -1.55 0.71 1.01 -0.61 -1.21 120.40 119.38 1jpf s VAL 28 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1jpf s VAL 28 Cb -0.07 -1.28 0.09 0.00 0.00 0.00 0.00 36.38 35.12 1jpf s VAL 28 CO 0.01 0.42 0.72 0.47 0.00 0.00 0.00 175.10 176.72 1jpf n ASP 29 N 4.33 -2.67 -0.41 3.32 8.00 0.07 -0.76 116.55 128.44 1jpf n ASP 29 Ca -0.18 -0.94 -0.05 0.00 0.71 0.00 0.00 54.79 54.32 1jpf n ASP 29 Cb 0.51 -3.20 -0.02 0.00 -0.02 0.00 0.00 41.12 38.39 1jpf n ASP 29 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jpf n ASN 30 N -2.82 -4.93 -4.42 -2.24 3.02 -1.26 -4.99 115.26 97.61 1jpf n ASN 30 Ca -0.07 0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 1jpf n ASN 30 Cb 0.57 -2.91 -0.13 0.00 -0.61 0.00 0.00 39.78 36.70 1jpf n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jpf s LYS 31 N -2.06 3.53 0.19 3.52 2.47 0.06 -5.05 119.74 122.41 1jpf s LYS 31 Ca 0.00 -0.58 -0.32 0.00 -1.56 0.00 0.00 55.97 53.51 1jpf s LYS 31 Cb 0.00 -2.87 -0.12 0.00 -1.46 0.00 0.00 37.83 33.38 1jpf s LYS 31 CO 0.00 0.13 1.75 -2.00 0.16 0.00 0.00 175.35 175.39 1jpf s GLU 32 N 0.63 4.13 0.00 4.03 2.12 -1.26 -1.57 118.70 126.78 1jpf s GLU 32 Ca -0.04 2.61 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1jpf s GLU 32 Cb -0.15 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1jpf s GLU 32 CO 0.02 -0.77 0.00 1.97 -0.54 0.00 0.00 175.26 175.94 1jpf n PHE 33 N 4.40 0.00 -3.82 5.30 -1.74 -0.10 -4.34 117.46 117.15 1jpf n PHE 33 Ca 0.16 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.95 1jpf n PHE 33 Cb 0.36 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.28 1jpf n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1jpf s VAL 34 N -1.05 0.11 -0.18 1.97 -7.23 -1.22 -0.37 120.40 112.43 1jpf s VAL 34 Ca 0.00 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 59.05 1jpf s VAL 34 Cb 0.00 -1.04 0.06 0.00 0.56 0.00 0.00 36.38 35.95 1jpf s VAL 34 CO 0.00 -0.50 0.57 -0.60 -0.31 0.00 0.00 175.10 174.25 1jpf s ARG 35 N -2.96 0.72 -0.02 4.82 3.52 -0.67 -1.38 118.95 122.98 1jpf s ARG 35 Ca -0.02 0.66 0.02 0.00 -0.13 0.00 0.00 55.73 56.26 1jpf s ARG 35 Cb 0.01 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1jpf s ARG 35 CO -0.06 -0.12 -0.08 0.12 -0.81 0.00 0.00 175.30 174.35 1jpf s PHE 36 N -0.00 0.85 -0.10 5.12 2.19 0.39 -0.24 117.98 126.18 1jpf s PHE 36 Ca -0.02 -0.19 -0.03 0.00 0.33 0.00 0.00 56.93 57.01 1jpf s PHE 36 Cb -0.04 -0.60 0.05 0.00 -1.31 0.00 0.00 43.02 41.13 1jpf s PHE 36 CO 0.02 -0.07 0.16 0.34 1.83 0.00 0.00 175.22 177.50 1jpf s ASP 37 N 0.09 0.98 0.48 6.13 -1.08 -1.26 -1.32 116.67 120.69 1jpf s ASP 37 Ca -0.01 0.17 0.33 0.00 -0.52 0.00 0.00 52.55 52.52 1jpf s ASP 37 Cb -0.07 0.22 1.57 0.00 -1.46 0.00 0.00 42.92 43.18 1jpf s ASP 37 CO 0.00 -0.26 1.98 0.77 0.52 0.00 0.00 175.17 178.18 1jpf h SER 38 N 8.37 0.00 0.88 -0.34 4.64 -1.61 -2.30 113.55 123.19 1jpf h SER 38 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1jpf h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jpf h SER 38 CO 0.17 0.00 -0.03 0.47 -0.87 0.00 0.00 176.83 176.58 1jpf n ASP 39 N -2.74 0.03 -4.75 4.97 10.43 -1.26 -4.76 116.55 118.48 1jpf n ASP 39 Ca -0.01 0.32 -0.32 0.00 2.57 0.00 0.00 54.79 57.36 1jpf n ASP 39 Cb 0.16 -0.42 0.10 0.00 1.84 0.00 0.00 41.12 42.81 1jpf n ASP 39 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jpf s ALA 40 N -2.91 2.13 0.15 2.24 0.00 -0.87 -4.93 121.76 117.58 1jpf s ALA 40 Ca 0.17 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1jpf s ALA 40 Cb 0.19 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 20.04 1jpf s ALA 40 CO 0.52 -1.88 1.75 1.49 0.00 0.00 0.00 175.76 177.64 1jpf h GLU 41 N -1.03 0.25 -2.93 0.00 4.81 -1.89 -3.30 114.58 110.49 1jpf h GLU 41 Ca -0.44 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.16 1jpf h GLU 41 Cb 1.24 -0.06 -0.41 0.00 0.63 0.00 0.00 28.75 30.16 1jpf h GLU 41 CO 0.50 0.17 -0.70 1.21 -0.73 0.00 0.00 179.01 179.45 1jpf s ASN 42 N -5.35 3.78 -0.49 1.04 2.47 -1.26 -5.08 114.94 110.05 1jpf s ASN 42 Ca -0.13 -3.38 -0.45 0.00 0.42 0.00 0.00 52.86 49.32 1jpf s ASN 42 Cb 0.12 -1.25 -0.19 0.00 -1.45 0.00 0.00 41.25 38.48 1jpf s ASN 42 CO 0.71 -0.15 1.91 -2.65 -3.72 0.00 0.00 177.10 173.20 1jpf n PRO 43 N 2.56 0.00 -3.60 0.43 -0.02 -1.25 -4.92 135.00 128.20 1jpf n PRO 43 Ca 0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 1jpf n PRO 43 Cb 0.38 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 1jpf n PRO 43 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1jpf s ARG 44 N 4.79 0.92 0.19 -0.52 3.52 -1.26 -5.05 118.95 121.54 1jpf s ARG 44 Ca 1.13 0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 1jpf s ARG 44 Cb -1.48 0.43 -0.08 0.00 -1.56 0.00 0.00 34.95 32.26 1jpf s ARG 44 CO 0.71 -0.27 1.17 0.71 -0.81 0.00 0.00 175.30 176.81 1jpf s TYR 45 N -1.13 3.47 0.08 5.12 2.02 -1.26 -4.47 117.35 121.19 1jpf s TYR 45 Ca -0.11 1.48 0.08 0.00 -0.37 0.00 0.00 57.07 58.16 1jpf s TYR 45 Cb -0.02 -3.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 1jpf s TYR 45 CO 0.08 -1.02 -0.22 -1.21 -1.57 0.00 0.00 175.55 171.61 1jpf s GLU 46 N -0.36 1.31 0.32 -0.62 0.41 0.67 -4.94 118.70 115.49 1jpf s GLU 46 Ca 0.51 -1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 53.68 1jpf s GLU 46 Cb -0.32 -1.56 -0.09 0.00 -1.78 0.00 0.00 34.13 30.38 1jpf s GLU 46 CO 0.37 0.38 1.12 -1.25 -0.49 0.00 0.00 175.26 175.38 1jpf s PRO 47 N -1.64 4.47 0.00 0.39 0.04 -1.26 -1.66 135.00 135.33 1jpf s PRO 47 Ca 0.08 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1jpf s PRO 47 Cb -0.10 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1jpf s PRO 47 CO 0.04 0.06 0.44 0.54 0.04 0.00 0.00 177.00 178.11 1jpf n ARG 48 N 0.82 -0.07 -4.29 4.56 5.12 0.50 -4.89 116.66 118.42 1jpf n ARG 48 Ca 0.01 -0.51 -0.19 0.00 -1.93 0.00 0.00 57.85 55.22 1jpf n ARG 48 Cb 0.45 -0.82 -0.15 0.00 -1.16 0.00 0.00 32.46 30.78 1jpf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jpf s ALA 49 N -0.15 0.73 0.41 7.54 0.00 -1.21 -4.70 121.76 124.38 1jpf s ALA 49 Ca 0.00 -0.24 0.20 0.00 0.00 0.00 0.00 51.96 51.92 1jpf s ALA 49 Cb 0.00 -0.30 1.14 0.00 0.00 0.00 0.00 23.12 23.96 1jpf s ALA 49 CO 0.00 0.10 1.78 -1.35 0.00 0.00 0.00 175.76 176.29 1jpf h PRO 50 N 6.49 0.35 0.00 0.00 0.11 -1.95 -1.17 132.00 135.83 1jpf h PRO 50 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1jpf h PRO 50 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jpf h PRO 50 CO 0.49 0.23 0.00 -2.67 -0.21 0.00 0.00 178.00 175.84 1jpf n TRP 51 N -4.58 0.00 1.00 0.65 4.27 -1.26 -2.36 117.44 115.16 1jpf n TRP 51 Ca 0.25 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.97 1jpf n TRP 51 Cb 0.90 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 31.01 1jpf n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1jpf n MET 52 N -0.97 0.00 0.00 -2.67 2.81 -0.44 -3.74 117.12 112.11 1jpf n MET 52 Ca 0.14 -0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.09 1jpf n MET 52 Cb 0.06 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.36 1jpf n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1jpf n GLU 53 N -1.50 0.09 0.17 0.03 1.02 -0.99 -1.94 120.64 117.53 1jpf n GLU 53 Ca 0.05 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.46 1jpf n GLU 53 Cb 0.33 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.53 1jpf n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jpf h GLN 54 N 0.00 0.00 -6.71 3.49 4.20 -1.80 -3.45 115.11 110.84 1jpf h GLN 54 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1jpf h GLN 54 Cb 0.16 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.97 1jpf h GLN 54 CO 0.00 0.43 0.60 -1.21 -0.67 0.00 0.00 178.83 177.98 1jpf s GLU 55 N -3.51 4.45 1.00 1.46 0.41 -0.82 -5.03 118.70 116.66 1jpf s GLU 55 Ca 0.00 1.98 -0.14 0.00 -0.41 0.00 0.00 54.97 56.41 1jpf s GLU 55 Cb 0.11 -3.20 0.19 0.00 -1.78 0.00 0.00 34.13 29.45 1jpf s GLU 55 CO 0.70 -0.14 1.13 0.20 -0.49 0.00 0.00 175.26 176.67 1jpf s GLY 56 N 0.05 1.59 0.62 -1.39 0.00 -1.26 -4.91 107.32 102.01 1jpf s GLY 56 Ca 0.53 -0.62 0.35 0.00 0.00 0.00 0.00 44.72 44.98 1jpf s GLY 56 CO 0.40 0.03 2.30 -2.55 0.00 0.00 0.00 173.10 173.28 1jpf h PRO 57 N -1.83 0.00 -0.44 2.90 0.11 -1.99 -1.94 132.00 128.80 1jpf h PRO 57 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1jpf h PRO 57 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1jpf h PRO 57 CO 0.54 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.17 1jpf h GLU 58 N 0.00 0.84 -0.03 1.05 3.07 -1.99 -2.15 114.58 115.38 1jpf h GLU 58 Ca 0.00 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1jpf h GLU 58 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1jpf h GLU 58 CO -0.00 0.94 -0.08 -0.92 -1.40 0.00 0.00 179.01 177.55 1jpf h TYR 59 N 0.68 -0.21 -0.52 4.33 5.03 -1.70 -1.40 116.97 123.19 1jpf h TYR 59 Ca 0.12 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1jpf h TYR 59 Cb 0.62 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1jpf h TYR 59 CO 0.05 -0.13 0.15 -1.49 -1.32 0.00 0.00 178.16 175.42 1jpf h TRP 60 N -0.13 0.79 0.10 -3.82 4.06 -1.58 -1.90 115.95 113.47 1jpf h TRP 60 Ca 0.04 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1jpf h TRP 60 Cb 0.19 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.11 1jpf h TRP 60 CO -0.16 0.65 -0.05 1.49 -3.56 0.00 0.00 178.44 176.81 1jpf h GLU 61 N 0.76 -0.13 -0.13 0.49 4.57 -0.96 -0.50 114.58 118.68 1jpf h GLU 61 Ca 0.17 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1jpf h GLU 61 Cb 0.24 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1jpf h GLU 61 CO -0.01 0.03 0.06 -0.09 -1.18 0.00 0.00 179.01 177.82 1jpf h ARG 62 N -0.27 0.13 -0.73 1.92 2.43 -1.10 -1.91 114.38 114.86 1jpf h ARG 62 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1jpf h ARG 62 Cb 0.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1jpf h ARG 62 CO 0.02 0.08 0.47 0.93 -1.51 0.00 0.00 179.97 179.96 1jpf h GLU 63 N 0.13 0.90 -0.58 0.20 4.39 -1.27 -1.91 114.58 116.44 1jpf h GLU 63 Ca 0.06 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1jpf h GLU 63 Cb 0.02 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1jpf h GLU 63 CO -0.05 0.60 0.14 1.15 -1.16 0.00 0.00 179.01 179.69 1jpf h THR 64 N 0.93 1.23 -0.48 1.13 2.02 -0.85 -1.72 112.91 115.18 1jpf h THR 64 Ca 0.28 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1jpf h THR 64 Cb -0.03 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1jpf h THR 64 CO -0.09 0.32 0.16 1.56 0.37 0.00 0.00 175.52 177.83 1jpf h GLN 65 N 0.85 0.73 -0.98 6.66 1.08 -0.72 -2.20 115.11 120.53 1jpf h GLN 65 Ca 0.19 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1jpf h GLN 65 Cb 0.30 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 1jpf h GLN 65 CO -0.00 0.69 0.64 0.87 -0.95 0.00 0.00 178.83 180.08 1jpf h LYS 66 N 0.63 1.21 -0.35 1.46 1.57 -0.91 -1.49 116.57 118.69 1jpf h LYS 66 Ca 0.15 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1jpf h LYS 66 Cb 0.25 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1jpf h LYS 66 CO -0.01 0.80 0.21 0.00 -0.57 0.00 0.00 179.45 179.89 1jpf h ALA 67 N 1.42 0.45 -0.82 3.86 0.00 -0.91 0.79 119.26 124.06 1jpf h ALA 67 Ca 0.39 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1jpf h ALA 67 Cb -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1jpf h ALA 67 CO -0.12 -0.05 0.53 0.87 0.00 0.00 0.00 179.25 180.49 1jpf h LYS 68 N 0.46 0.73 -0.25 0.00 1.79 -0.71 0.63 116.57 119.21 1jpf h LYS 68 Ca 0.13 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 1jpf h LYS 68 Cb 0.01 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1jpf h LYS 68 CO -0.02 0.48 -0.23 0.78 -1.08 0.00 0.00 179.45 179.37 1jpf h GLY 69 N 0.75 0.66 1.07 3.86 0.00 -0.28 -3.06 103.07 106.07 1jpf h GLY 69 Ca 0.38 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1jpf h GLY 69 CO -0.15 0.60 0.57 1.46 0.00 0.00 0.00 176.54 179.02 1jpf h GLN 70 N 0.32 1.23 -0.56 4.80 1.08 0.23 -1.84 115.11 120.37 1jpf h GLN 70 Ca 0.04 -0.10 0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1jpf h GLN 70 Cb 0.79 -0.27 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1jpf h GLN 70 CO 0.06 0.84 0.22 0.93 -0.95 0.00 0.00 178.83 179.93 1jpf h GLU 71 N 1.26 0.40 -0.29 1.46 5.08 -0.85 0.92 114.58 122.56 1jpf h GLU 71 Ca 0.33 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1jpf h GLU 71 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1jpf h GLU 71 CO -0.07 0.26 -0.41 1.96 -1.00 0.00 0.00 179.01 179.76 1jpf h GLN 72 N 0.41 0.71 -0.34 2.33 1.08 -1.34 -1.04 115.11 116.92 1jpf h GLN 72 Ca 0.27 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1jpf h GLN 72 Cb 0.30 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1jpf h GLN 72 CO -0.27 0.99 0.13 2.35 -0.95 0.00 0.00 178.83 181.08 1jpf h TRP 73 N 0.58 0.53 -0.20 2.96 7.01 -0.75 -0.78 115.95 125.29 1jpf h TRP 73 Ca 0.05 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1jpf h TRP 73 Cb 0.95 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1jpf h TRP 73 CO 0.05 0.50 -0.27 0.74 -2.79 0.00 0.00 178.44 176.67 1jpf h PHE 74 N 0.40 0.43 0.08 2.65 -1.00 -0.76 -0.74 116.94 117.99 1jpf h PHE 74 Ca 0.11 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1jpf h PHE 74 Cb 0.20 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1jpf h PHE 74 CO -0.00 0.62 -0.04 -0.09 -1.61 0.00 0.00 178.31 177.19 1jpf h ARG 75 N 0.34 -0.10 -0.67 1.51 2.43 -0.85 0.13 114.38 117.17 1jpf h ARG 75 Ca 0.05 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1jpf h ARG 75 Cb 0.66 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1jpf h ARG 75 CO 0.05 0.16 0.15 0.28 -1.51 0.00 0.00 179.97 179.09 1jpf h VAL 76 N -0.36 1.26 -0.59 0.20 2.07 -1.06 -2.57 116.25 115.20 1jpf h VAL 76 Ca -0.01 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1jpf h VAL 76 Cb 0.31 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1jpf h VAL 76 CO 0.02 0.36 -0.04 0.28 0.02 0.00 0.00 177.57 178.21 1jpf h SER 77 N 1.01 1.05 -0.69 0.57 0.02 -1.02 -1.87 113.55 112.63 1jpf h SER 77 Ca 0.21 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1jpf h SER 77 Cb 0.37 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1jpf h SER 77 CO 0.00 1.12 0.43 -0.07 -1.14 0.00 0.00 176.83 177.17 1jpf h LEU 78 N 0.96 0.70 -0.25 5.07 4.07 -0.83 -1.67 115.31 123.36 1jpf h LEU 78 Ca 0.16 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.13 1jpf h LEU 78 Cb 0.61 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1jpf h LEU 78 CO 0.04 0.48 0.15 -0.09 -1.08 0.00 0.00 178.44 177.94 1jpf h ARG 79 N 0.84 0.30 -0.16 1.13 2.43 -1.10 -2.56 114.38 115.26 1jpf h ARG 79 Ca 0.28 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1jpf h ARG 79 Cb 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1jpf h ARG 79 CO -0.11 0.20 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.62 1jpf h ASN 80 N 0.31 -0.10 -0.52 -3.80 2.35 -0.77 -2.47 115.58 110.59 1jpf h ASN 80 Ca 0.10 0.04 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1jpf h ASN 80 Cb -0.01 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1jpf h ASN 80 CO -0.04 -0.03 0.35 -0.07 -1.65 0.00 0.00 177.43 175.99 1jpf h LEU 81 N 0.03 0.34 -1.08 1.61 3.38 -1.21 -0.43 115.31 117.95 1jpf h LEU 81 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1jpf h LEU 81 Cb 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1jpf h LEU 81 CO -0.14 0.22 0.62 0.25 0.09 0.00 0.00 178.44 179.48 1jpf h LEU 82 N 0.38 1.03 -0.05 1.67 5.85 -1.02 -1.58 115.31 121.59 1jpf h LEU 82 Ca 0.23 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1jpf h LEU 82 Cb 0.42 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1jpf h LEU 82 CO -0.06 0.71 -0.27 1.23 -0.34 0.00 0.00 178.44 179.71 1jpf h GLY 83 N 1.19 0.30 0.29 3.75 0.00 -1.09 -0.45 103.07 107.07 1jpf h GLY 83 Ca 0.38 -0.43 0.19 0.00 0.00 0.00 0.00 47.33 47.47 1jpf h GLY 83 CO -0.12 0.38 0.60 -0.97 0.00 0.00 0.00 176.54 176.43 1jpf h TYR 84 N -0.25 0.68 -0.22 5.60 0.05 -1.01 -0.68 116.97 121.14 1jpf h TYR 84 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jpf h TYR 84 Cb 0.92 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1jpf h TYR 84 CO 0.14 0.18 0.00 0.66 -1.05 0.00 0.00 178.16 178.09 1jpf n TYR 85 N -4.56 0.27 -3.72 4.88 4.01 -0.62 -4.89 117.16 112.51 1jpf n TYR 85 Ca 0.20 -0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1jpf n TYR 85 Cb 0.65 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.70 1jpf n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1jpf n ASN 86 N 1.28 -1.11 -4.85 7.72 5.15 -0.26 -4.96 115.26 118.23 1jpf n ASN 86 Ca 0.15 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 52.93 1jpf n ASN 86 Cb 0.55 -3.98 -0.06 0.00 -0.53 0.00 0.00 39.78 35.77 1jpf n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1jpf s GLN 87 N -6.03 3.86 0.61 1.20 -0.21 -0.27 -5.04 119.66 113.78 1jpf s GLN 87 Ca 0.01 0.33 -0.19 0.00 0.02 0.00 0.00 55.36 55.53 1jpf s GLN 87 Cb -0.00 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 1jpf s GLN 87 CO 0.82 0.65 1.25 -1.12 -2.12 0.00 0.00 175.29 174.77 1jpf s SER 88 N -1.30 4.98 1.39 5.90 0.01 -1.26 -4.85 113.70 118.57 1jpf s SER 88 Ca 0.27 2.51 -0.23 0.00 1.31 0.00 0.00 55.95 59.81 1jpf s SER 88 Cb -0.16 -2.61 0.35 0.00 0.21 0.00 0.00 66.02 63.82 1jpf s SER 88 CO 0.15 -1.74 0.98 0.00 0.41 0.00 0.00 173.24 173.03 1jpf s ALA 89 N -1.49 -0.37 0.00 1.44 0.00 -1.26 -4.64 121.76 115.44 1jpf s ALA 89 Ca 0.79 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1jpf s ALA 89 Cb -0.34 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1jpf s ALA 89 CO 0.37 -4.40 0.00 0.41 0.00 0.00 0.00 175.76 172.14 1jpf n GLY 90 N 0.74 -0.04 0.93 0.00 0.00 -1.26 -5.02 105.19 100.55 1jpf n GLY 90 Ca 0.14 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1jpf n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jpf n GLY 91 N 0.00 -1.41 3.40 -0.02 0.00 -1.26 -4.80 105.19 101.10 1jpf n GLY 91 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1jpf n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jpf s SER 92 N -5.73 3.71 0.10 1.61 0.15 -1.26 -4.01 113.70 108.26 1jpf s SER 92 Ca 0.00 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1jpf s SER 92 Cb 0.00 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1jpf s SER 92 CO 0.00 0.31 -0.09 -1.00 1.20 0.00 0.00 173.24 173.66 1jpf s HIS 93 N -0.51 1.00 0.03 3.44 4.02 -1.25 -4.95 115.29 117.07 1jpf s HIS 93 Ca 0.07 -0.70 0.07 0.00 1.02 0.00 0.00 55.06 55.52 1jpf s HIS 93 Cb -0.11 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.58 30.87 1jpf s HIS 93 CO 0.01 -0.04 -0.22 0.95 1.02 0.00 0.00 174.74 176.47 1jpf s THR 94 N -2.66 1.75 -0.06 1.30 -4.23 -1.26 -1.13 115.64 109.35 1jpf s THR 94 Ca 0.06 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1jpf s THR 94 Cb -0.01 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.33 1jpf s THR 94 CO -0.01 0.29 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.01 1jpf s LEU 95 N -1.06 1.70 0.13 4.79 2.96 -0.76 -0.75 118.68 125.69 1jpf s LEU 95 Ca 0.08 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1jpf s LEU 95 Cb -0.09 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1jpf s LEU 95 CO 0.01 0.05 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.89 1jpf s GLN 96 N 0.53 1.01 -0.06 1.98 -0.21 -0.01 -1.16 119.66 121.75 1jpf s GLN 96 Ca -0.12 -1.34 -0.09 0.00 0.02 0.00 0.00 55.36 53.83 1jpf s GLN 96 Cb -0.15 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.20 1jpf s GLN 96 CO 0.03 0.10 0.22 -1.14 -2.12 0.00 0.00 175.29 172.39 1jpf s GLN 97 N -3.29 0.37 -0.07 2.91 0.74 -0.20 -1.19 119.66 118.94 1jpf s GLN 97 Ca 0.13 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.63 1jpf s GLN 97 Cb -0.00 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.29 1jpf s GLN 97 CO 0.01 -0.07 -0.07 -1.64 -0.55 0.00 0.00 175.29 172.97 1jpf s MET 98 N -0.41 1.25 0.07 1.67 -1.94 0.22 -0.95 119.30 119.22 1jpf s MET 98 Ca -0.05 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.74 1jpf s MET 98 Cb -0.03 -1.24 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 1jpf s MET 98 CO 0.01 -0.13 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.28 1jpf s SER 99 N 1.22 0.95 0.00 3.03 1.04 -0.72 -1.05 113.70 118.16 1jpf s SER 99 Ca -0.05 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1jpf s SER 99 Cb -0.14 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1jpf s SER 99 CO -0.02 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1jpf n GLY 100 N 0.57 -1.38 3.01 7.32 0.00 -0.58 -0.94 105.19 113.19 1jpf n GLY 100 Ca -0.17 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1jpf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpf s ASP 102 N -1.57 4.08 -0.00 0.00 1.01 0.30 -1.34 116.67 119.15 1jpf s ASP 102 Ca -0.14 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.90 1jpf s ASP 102 Cb -0.08 -1.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.62 1jpf s ASP 102 CO -0.01 0.27 -0.01 -0.76 0.21 0.00 0.00 175.17 174.87 1jpf s LEU 103 N -0.29 3.48 0.00 1.23 1.43 0.13 -0.92 118.68 123.74 1jpf s LEU 103 Ca 0.02 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1jpf s LEU 103 Cb -0.13 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1jpf s LEU 103 CO 0.03 0.28 0.13 0.61 0.23 0.00 0.00 176.35 177.63 1jpf n GLY 104 N 1.44 0.10 0.29 -3.19 0.00 -0.58 -1.92 105.19 101.33 1jpf n GLY 104 Ca -0.15 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1jpf n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jpf h SER 105 N -0.11 0.28 0.00 1.61 4.64 -1.95 0.36 113.55 118.37 1jpf h SER 105 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1jpf h SER 105 Cb 0.14 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jpf h SER 105 CO 0.04 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 1jpf n ASP 106 N -4.50 0.27 -0.42 4.97 5.75 -1.26 -4.83 116.55 116.53 1jpf n ASP 106 Ca 0.01 -1.94 -0.04 0.00 -0.01 0.00 0.00 54.79 52.81 1jpf n ASP 106 Cb 0.07 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1jpf n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jpf n TRP 107 N -0.36 -0.15 -3.53 2.11 7.02 0.13 -4.92 117.44 117.75 1jpf n TRP 107 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1jpf n TRP 107 Cb 0.07 -1.64 -0.01 0.00 -2.42 0.00 0.00 31.31 27.31 1jpf n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1jpf s ARG 108 N -1.68 3.31 0.24 -0.99 3.52 -1.26 -4.72 118.95 117.37 1jpf s ARG 108 Ca 0.00 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1jpf s ARG 108 Cb 0.00 -2.76 -0.13 0.00 -1.56 0.00 0.00 34.95 30.50 1jpf s ARG 108 CO 0.00 0.15 1.42 -0.11 -0.81 0.00 0.00 175.30 175.95 1jpf n LEU 109 N -1.68 3.20 -0.01 -0.88 7.94 -1.26 -1.53 117.00 122.78 1jpf n LEU 109 Ca -0.04 1.14 -0.02 0.00 -1.11 0.00 0.00 56.01 55.99 1jpf n LEU 109 Cb 0.57 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 1jpf n LEU 109 CO 0.46 -0.44 -0.59 -0.11 -1.11 0.00 0.00 177.39 175.59 1jpf n LEU 110 N 2.15 1.07 -3.63 -1.96 0.00 -0.09 -4.76 117.00 109.78 1jpf n LEU 110 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 56.01 56.07 1jpf n LEU 110 Cb 0.32 -0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.69 1jpf n LEU 110 CO 0.63 0.24 1.05 -0.60 0.00 0.00 0.00 177.39 178.71 1jpf s ARG 111 N -2.06 0.20 0.20 1.96 3.52 -1.11 -4.98 118.95 116.66 1jpf s ARG 111 Ca -0.02 0.10 0.08 0.00 -0.13 0.00 0.00 55.73 55.75 1jpf s ARG 111 Cb 0.01 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1jpf s ARG 111 CO 0.10 -0.05 0.01 0.20 -0.81 0.00 0.00 175.30 174.74 1jpf s GLY 112 N -0.68 1.69 0.01 8.12 0.00 -1.26 -0.54 107.32 114.65 1jpf s GLY 112 Ca 0.06 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1jpf s GLY 112 CO -0.08 -1.46 -0.04 -0.19 0.00 0.00 0.00 173.10 171.33 1jpf s TYR 113 N -1.88 0.33 -0.29 1.90 1.51 0.78 -4.84 117.35 114.87 1jpf s TYR 113 Ca 0.28 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1jpf s TYR 113 Cb -0.09 -0.21 0.17 0.00 -0.11 0.00 0.00 41.96 41.72 1jpf s TYR 113 CO 0.19 -0.04 0.47 -1.17 -1.11 0.00 0.00 175.55 173.89 1jpf s LEU 114 N -0.46 -1.04 0.02 -1.29 1.98 -1.24 -1.53 118.68 115.12 1jpf s LEU 114 Ca -0.02 -0.07 0.03 0.00 -2.89 0.00 0.00 54.13 51.18 1jpf s LEU 114 Cb -0.04 1.43 -0.02 0.00 0.66 0.00 0.00 46.19 48.23 1jpf s LEU 114 CO -0.00 -0.33 -0.11 -1.10 -1.89 0.00 0.00 176.35 172.92 1jpf s GLN 115 N 2.64 0.77 0.05 1.98 -0.21 -0.22 -1.03 119.66 123.65 1jpf s GLN 115 Ca 0.11 -0.56 0.08 0.00 0.02 0.00 0.00 55.36 55.01 1jpf s GLN 115 Cb -0.12 -0.73 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 1jpf s GLN 115 CO -0.27 0.19 -0.23 -0.06 -2.12 0.00 0.00 175.29 172.80 1jpf s PHE 116 N -0.64 2.02 0.00 0.91 0.40 -0.38 -0.61 117.98 119.68 1jpf s PHE 116 Ca 0.01 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1jpf s PHE 116 Cb -0.06 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 1jpf s PHE 116 CO 0.00 0.13 -0.06 0.00 0.70 0.00 0.00 175.22 176.00 1jpf s ALA 117 N -0.84 0.45 -0.07 5.36 0.00 -0.33 -1.14 121.76 125.19 1jpf s ALA 117 Ca 0.09 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1jpf s ALA 117 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1jpf s ALA 117 CO 0.02 0.08 -0.25 -0.47 0.00 0.00 0.00 175.76 175.15 1jpf s TYR 118 N -0.35 2.47 -1.46 0.00 5.04 0.44 -0.83 117.35 122.66 1jpf s TYR 118 Ca -0.00 -0.81 -0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1jpf s TYR 118 Cb -0.03 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.65 1jpf s TYR 118 CO -0.00 -0.27 0.20 0.39 -1.34 0.00 0.00 175.55 174.53 1jpf n GLU 119 N 3.10 -2.80 -1.03 4.97 -0.58 0.07 -1.22 120.64 123.15 1jpf n GLU 119 Ca -0.18 0.81 -0.01 0.00 -0.42 0.00 0.00 57.16 57.36 1jpf n GLU 119 Cb 0.52 -5.51 -0.01 0.00 -0.57 0.00 0.00 31.44 25.88 1jpf n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jpf n GLY 120 N -1.09 0.49 3.18 0.62 0.00 -1.26 -5.00 105.19 102.13 1jpf n GLY 120 Ca -0.16 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1jpf n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jpf s ARG 121 N -0.99 1.08 0.11 1.61 0.52 -0.36 -5.08 118.95 115.85 1jpf s ARG 121 Ca 0.00 -0.83 -0.35 0.00 -0.52 0.00 0.00 55.73 54.03 1jpf s ARG 121 Cb 0.00 -1.14 -0.17 0.00 0.52 0.00 0.00 34.95 34.17 1jpf s ARG 121 CO 0.00 0.28 1.23 -0.25 0.02 0.00 0.00 175.30 176.59 1jpf n ASP 122 N 1.86 1.32 0.00 0.23 8.00 -1.26 -0.42 116.55 126.27 1jpf n ASP 122 Ca -0.18 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1jpf n ASP 122 Cb 0.54 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1jpf n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jpf n TYR 123 N 2.01 0.00 -3.83 1.24 9.36 -0.30 -4.68 117.16 120.97 1jpf n TYR 123 Ca 0.17 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.27 1jpf n TYR 123 Cb 0.20 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.79 1jpf n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1jpf s ILE 124 N -0.97 0.03 0.02 2.97 2.07 -1.17 -1.28 121.20 122.86 1jpf s ILE 124 Ca 0.00 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1jpf s ILE 124 Cb 0.00 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1jpf s ILE 124 CO 0.00 -0.12 -0.03 0.00 -1.91 0.00 0.00 174.94 172.88 1jpf s ALA 125 N -0.37 0.19 -0.13 1.50 0.00 -0.28 -1.25 121.76 121.41 1jpf s ALA 125 Ca -0.05 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 1jpf s ALA 125 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1jpf s ALA 125 CO 0.01 -0.08 0.88 -1.17 0.00 0.00 0.00 175.76 175.39 1jpf s LEU 126 N -1.06 4.23 0.78 0.00 2.96 -0.20 0.42 118.68 125.81 1jpf s LEU 126 Ca -0.10 1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 55.02 1jpf s LEU 126 Cb -0.07 -3.34 0.06 0.00 0.50 0.00 0.00 46.19 43.34 1jpf s LEU 126 CO -0.00 -0.37 1.10 0.20 -1.32 0.00 0.00 176.35 175.95 1jpf s ASN 127 N 1.09 4.39 0.65 3.68 0.02 -0.02 -4.58 114.94 120.18 1jpf s ASN 127 Ca 0.42 1.87 0.27 0.00 -1.02 0.00 0.00 52.86 54.39 1jpf s ASN 127 Cb -0.17 -2.53 1.43 0.00 0.02 0.00 0.00 41.25 39.99 1jpf s ASN 127 CO 0.16 -2.11 1.81 -0.08 0.02 0.00 0.00 177.10 176.90 1jpf h GLU 128 N -1.14 0.00 0.00 -0.60 4.81 -1.89 0.65 114.58 116.42 1jpf h GLU 128 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1jpf h GLU 128 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1jpf h GLU 128 CO 0.51 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.39 1jpf n ASP 129 N -2.98 0.44 -2.01 1.04 5.68 -1.26 -4.82 116.55 112.64 1jpf n ASP 129 Ca 0.00 0.55 -0.18 0.00 -0.50 0.00 0.00 54.79 54.66 1jpf n ASP 129 Cb 0.51 -0.67 -0.01 0.00 -1.14 0.00 0.00 41.12 39.81 1jpf n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jpf n LEU 130 N -1.92 -1.79 0.00 -2.12 4.32 0.23 -4.81 117.00 110.90 1jpf n LEU 130 Ca 0.06 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1jpf n LEU 130 Cb 0.36 -2.61 0.00 0.00 -1.62 0.00 0.00 43.42 39.55 1jpf n LEU 130 CO 0.27 -0.24 -0.20 0.29 -1.22 0.00 0.00 177.39 176.28 1jpf n LYS 131 N -2.71 0.82 -4.18 3.23 5.02 -1.26 -4.61 118.16 114.47 1jpf n LYS 131 Ca -0.21 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.81 1jpf n LYS 131 Cb 0.66 -0.70 -0.07 0.00 -0.02 0.00 0.00 35.03 34.90 1jpf n LYS 131 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jpf s THR 132 N -1.40 3.87 0.10 -0.18 2.01 -1.26 -4.85 115.64 113.94 1jpf s THR 132 Ca 0.00 -1.34 0.05 0.00 0.31 0.00 0.00 61.69 60.71 1jpf s THR 132 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1jpf s THR 132 CO 0.00 -0.10 0.02 0.26 -0.69 0.00 0.00 174.62 174.11 1jpf s TRP 133 N -1.71 3.01 -0.23 4.92 0.52 -1.26 -0.84 118.94 123.34 1jpf s TRP 133 Ca 0.28 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.38 1jpf s TRP 133 Cb -0.10 -1.53 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1jpf s TRP 133 CO 0.19 0.49 -0.12 0.99 0.02 0.00 0.00 176.95 178.53 1jpf s THR 134 N -1.38 2.39 -0.16 2.01 2.01 0.17 -4.89 115.64 115.78 1jpf s THR 134 Ca 0.27 -1.22 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 1jpf s THR 134 Cb -0.11 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1jpf s THR 134 CO 0.19 0.21 0.27 0.00 -0.69 0.00 0.00 174.62 174.61 1jpf s ALA 135 N 1.23 3.62 -0.16 7.40 0.00 -1.26 -1.13 121.76 131.46 1jpf s ALA 135 Ca -0.02 -0.48 0.15 0.00 0.00 0.00 0.00 51.96 51.62 1jpf s ALA 135 Cb -0.17 -2.35 0.09 0.00 0.00 0.00 0.00 23.12 20.69 1jpf s ALA 135 CO -0.07 0.14 1.46 0.00 0.00 0.00 0.00 175.76 177.29 1jpf h ALA 136 N 6.51 0.69 -3.43 0.00 0.00 -1.46 -3.47 119.26 118.10 1jpf h ALA 136 Ca -0.42 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 53.89 1jpf h ALA 136 Cb 1.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1jpf h ALA 136 CO 0.74 0.60 -0.10 -0.40 0.00 0.00 0.00 179.25 180.09 1jpf n ASP 137 N -3.23 -0.63 0.04 0.00 5.68 -1.26 -5.04 116.55 112.11 1jpf n ASP 137 Ca 0.02 -1.99 -0.11 0.00 -0.50 0.00 0.00 54.79 52.21 1jpf n ASP 137 Cb 0.72 1.21 -0.06 0.00 -1.14 0.00 0.00 41.12 41.85 1jpf n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1jpf h MET 138 N 0.00 -0.08 -0.82 0.11 2.86 -1.98 -2.40 114.93 112.61 1jpf h MET 138 Ca -0.13 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1jpf h MET 138 Cb 0.60 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.21 1jpf h MET 138 CO 0.18 -0.05 0.47 0.00 1.06 0.00 0.00 176.91 178.57 1jpf h ALA 139 N 0.92 1.17 0.00 6.32 0.00 -1.98 -1.07 119.26 124.62 1jpf h ALA 139 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jpf h ALA 139 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jpf h ALA 139 CO -0.07 0.11 -0.24 0.00 0.00 0.00 0.00 179.25 179.05 1jpf h ALA 140 N 1.45 1.53 -0.21 0.00 0.00 -1.78 -1.85 119.26 118.40 1jpf h ALA 140 Ca 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jpf h ALA 140 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jpf h ALA 140 CO -0.24 0.30 0.05 1.96 0.00 0.00 0.00 179.25 181.32 1jpf h GLN 141 N 0.00 0.29 -0.02 0.00 1.08 -0.70 0.78 115.11 116.54 1jpf h GLN 141 Ca -0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jpf h GLN 141 Cb 0.44 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1jpf h GLN 141 CO 0.03 0.27 0.01 0.82 -0.95 0.00 0.00 178.83 179.01 1jpf h ILE 142 N 0.29 1.10 -0.55 2.54 2.04 -1.27 -0.59 117.51 121.07 1jpf h ILE 142 Ca 0.07 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1jpf h ILE 142 Cb 0.11 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1jpf h ILE 142 CO -0.00 0.08 0.29 0.74 0.00 0.00 0.00 178.15 179.25 1jpf h THR 143 N -0.08 1.19 -0.30 -0.27 2.02 -1.36 -2.12 112.91 111.99 1jpf h THR 143 Ca 0.01 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1jpf h THR 143 Cb 0.12 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1jpf h THR 143 CO -0.00 0.21 0.13 -0.09 0.37 0.00 0.00 175.52 176.14 1jpf h ARG 144 N 0.74 0.28 -0.65 6.66 2.43 -0.69 0.22 114.38 123.37 1jpf h ARG 144 Ca 0.19 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1jpf h ARG 144 Cb 0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1jpf h ARG 144 CO -0.03 0.18 0.30 0.00 -1.51 0.00 0.00 179.97 178.92 1jpf h ARG 145 N 0.29 0.93 -0.33 0.20 3.08 -0.95 0.02 114.38 117.62 1jpf h ARG 145 Ca 0.13 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1jpf h ARG 145 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1jpf h ARG 145 CO -0.10 0.73 -0.24 -0.22 -1.07 0.00 0.00 179.97 179.07 1jpf h LYS 146 N 0.93 0.74 0.00 0.04 3.64 -1.01 -3.20 116.57 117.71 1jpf h LYS 146 Ca 0.23 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1jpf h LYS 146 Cb 0.12 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1jpf h LYS 146 CO -0.03 0.98 -0.49 -1.49 -2.27 0.00 0.00 179.45 176.15 1jpf h TRP 147 N 0.51 0.00 0.00 1.91 4.06 -0.54 -2.99 115.95 118.90 1jpf h TRP 147 Ca 0.06 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1jpf h TRP 147 Cb 0.80 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1jpf h TRP 147 CO 0.07 0.49 -0.16 0.93 -3.56 0.00 0.00 178.44 176.20 1jpf h GLU 148 N 0.00 0.00 0.02 0.49 5.08 -1.00 -2.48 114.58 116.70 1jpf h GLU 148 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1jpf h GLU 148 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1jpf h GLU 148 CO 0.06 0.16 -0.95 1.96 -1.00 0.00 0.00 179.01 179.25 1jpf h GLN 149 N 0.00 0.14 -0.00 2.33 4.20 -1.57 -3.32 115.11 116.89 1jpf h GLN 149 Ca -0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1jpf h GLN 149 Cb 0.29 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1jpf h GLN 149 CO 0.02 0.98 -0.34 -1.13 -0.67 0.00 0.00 178.83 177.69 1jpf n SER 150 N -3.57 0.78 -2.70 1.46 3.41 -0.97 -4.94 113.62 107.09 1jpf n SER 150 Ca -0.03 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 57.78 1jpf n SER 150 Cb 0.86 0.16 0.04 0.00 -0.26 0.00 0.00 64.21 65.01 1jpf n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jpf n GLY 151 N 1.40 -0.33 0.34 5.00 0.00 -0.97 -4.86 105.19 105.77 1jpf n GLY 151 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1jpf n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpf h ALA 152 N 0.85 1.35 -0.80 4.61 0.00 -1.89 -2.60 119.26 120.79 1jpf h ALA 152 Ca -0.46 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.42 1jpf h ALA 152 Cb 1.31 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1jpf h ALA 152 CO 0.48 0.54 0.52 0.00 0.00 0.00 0.00 179.25 180.79 1jpf h ALA 153 N 1.44 1.64 -0.77 0.00 0.00 -1.89 -2.23 119.26 117.46 1jpf h ALA 153 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jpf h ALA 153 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1jpf h ALA 153 CO -0.04 0.23 0.50 0.93 0.00 0.00 0.00 179.25 180.87 1jpf h GLU 154 N 0.85 1.02 -0.07 0.00 5.08 -1.71 0.23 114.58 119.97 1jpf h GLU 154 Ca 0.35 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1jpf h GLU 154 Cb 0.26 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1jpf h GLU 154 CO -0.12 0.69 -0.13 1.25 -1.00 0.00 0.00 179.01 179.70 1jpf h HIS 155 N 1.04 -0.32 -0.62 4.33 2.76 -1.47 -1.09 115.15 119.78 1jpf h HIS 155 Ca 0.28 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1jpf h HIS 155 Cb -0.10 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1jpf h HIS 155 CO -0.02 -0.19 0.03 1.88 -1.30 0.00 0.00 177.93 178.34 1jpf h TYR 156 N -0.18 1.15 -0.48 5.26 0.05 -1.37 -2.80 116.97 118.60 1jpf h TYR 156 Ca 0.07 -0.18 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1jpf h TYR 156 Cb 0.28 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 1jpf h TYR 156 CO -0.22 1.00 0.20 -0.22 -1.05 0.00 0.00 178.16 177.86 1jpf h LYS 157 N 0.98 0.38 -0.65 4.88 3.64 -0.15 -0.25 116.57 125.40 1jpf h LYS 157 Ca 0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1jpf h LYS 157 Cb 0.52 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1jpf h LYS 157 CO 0.02 0.25 0.33 0.00 -2.27 0.00 0.00 179.45 177.79 1jpf h ALA 158 N 1.30 1.35 -0.14 5.00 0.00 -1.02 -1.36 119.26 124.39 1jpf h ALA 158 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jpf h ALA 158 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jpf h ALA 158 CO -0.20 0.52 -0.16 -0.92 0.00 0.00 0.00 179.25 178.49 1jpf h TYR 159 N 0.92 0.43 0.00 0.00 3.20 -1.14 -1.83 116.97 118.54 1jpf h TYR 159 Ca 0.23 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1jpf h TYR 159 Cb 0.07 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1jpf h TYR 159 CO 0.01 0.76 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.95 1jpf h LEU 160 N -0.03 0.00 0.00 2.82 3.38 -0.81 0.13 115.31 120.80 1jpf h LEU 160 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jpf h LEU 160 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1jpf h LEU 160 CO 0.04 0.27 -1.59 -0.62 0.09 0.00 0.00 178.44 176.63 1jpf n GLU 161 N -3.98 0.58 0.00 1.13 1.02 -0.53 -4.22 120.64 114.64 1jpf n GLU 161 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1jpf n GLU 161 Cb 0.34 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1jpf n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jpf n GLY 162 N 1.26 0.09 0.24 0.62 0.00 -0.69 -4.55 105.19 102.16 1jpf n GLY 162 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1jpf n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jpf h GLU 163 N 0.00 0.07 -0.19 1.61 4.81 -1.61 0.15 114.58 119.41 1jpf h GLU 163 Ca 0.00 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1jpf h GLU 163 Cb 0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1jpf h GLU 163 CO 0.00 0.04 -0.09 0.00 -0.73 0.00 0.00 179.01 178.23 1jpf h VAL 165 N -0.07 1.09 -0.20 0.00 2.07 -1.42 -1.31 116.25 116.41 1jpf h VAL 165 Ca 0.10 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1jpf h VAL 165 Cb 0.23 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1jpf h VAL 165 CO -0.24 0.09 -0.06 -0.08 0.02 0.00 0.00 177.57 177.30 1jpf h GLU 166 N 0.35 -0.02 -0.01 1.57 4.81 -0.31 -2.40 114.58 118.57 1jpf h GLU 166 Ca 0.10 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 1jpf h GLU 166 Cb -0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1jpf h GLU 166 CO -0.02 -0.01 -0.73 -1.49 -0.73 0.00 0.00 179.01 176.03 1jpf h TRP 167 N -0.02 0.14 -0.67 0.92 4.06 -1.02 -2.59 115.95 116.76 1jpf h TRP 167 Ca 0.10 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1jpf h TRP 167 Cb 0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 1jpf h TRP 167 CO -0.23 0.79 0.33 1.25 -3.56 0.00 0.00 178.44 177.03 1jpf h LEU 168 N 0.06 0.87 -0.96 -4.49 5.85 -1.07 0.12 115.31 115.70 1jpf h LEU 168 Ca -0.02 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1jpf h LEU 168 Cb 1.29 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1jpf h LEU 168 CO 0.10 0.75 0.28 0.45 -0.34 0.00 0.00 178.44 179.69 1jpf h HIS 169 N 0.93 1.04 -0.30 1.25 3.86 -1.36 -0.43 115.15 120.14 1jpf h HIS 169 Ca 0.23 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1jpf h HIS 169 Cb 0.10 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1jpf h HIS 169 CO 0.00 0.79 -0.06 -0.09 0.86 0.00 0.00 177.93 179.43 1jpf h ARG 170 N 1.01 0.58 -0.51 2.45 2.43 -0.94 -1.19 114.38 118.22 1jpf h ARG 170 Ca 0.24 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1jpf h ARG 170 Cb 0.19 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1jpf h ARG 170 CO -0.02 0.76 0.13 1.88 -1.51 0.00 0.00 179.97 181.21 1jpf h TYR 171 N 0.35 0.85 -0.63 2.20 0.05 -0.60 0.25 116.97 119.44 1jpf h TYR 171 Ca 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1jpf h TYR 171 Cb 0.55 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1jpf h TYR 171 CO 0.05 0.75 0.41 -0.07 -1.05 0.00 0.00 178.16 178.25 1jpf h LEU 172 N 0.70 0.73 -0.09 3.88 3.38 -0.96 0.67 115.31 123.61 1jpf h LEU 172 Ca 0.16 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1jpf h LEU 172 Cb 0.33 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1jpf h LEU 172 CO 0.00 0.53 -0.55 0.50 0.09 0.00 0.00 178.44 179.02 1jpf h LYS 173 N 0.85 0.54 -0.12 1.13 3.64 -0.73 -2.19 116.57 119.69 1jpf h LYS 173 Ca 0.23 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1jpf h LYS 173 Cb -0.08 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1jpf h LYS 173 CO -0.05 1.08 -0.13 -0.91 -2.27 0.00 0.00 179.45 177.18 1jpf h ASN 174 N 0.14 0.33 -0.56 4.20 4.21 0.19 -3.29 115.58 120.80 1jpf h ASN 174 Ca -0.04 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 56.98 1jpf h ASN 174 Cb 1.20 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1jpf h ASN 174 CO 0.11 0.75 0.00 0.61 -1.29 0.00 0.00 177.43 177.61 1jpf n GLY 175 N 0.21 2.42 0.35 2.83 0.00 0.23 -4.71 105.19 106.53 1jpf n GLY 175 Ca -0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1jpf n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jpf h ASN 176 N 3.56 -1.76 0.00 1.61 -0.73 -1.47 0.25 115.58 117.03 1jpf h ASN 176 Ca 0.00 0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1jpf h ASN 176 Cb 1.37 0.77 0.00 0.00 0.27 0.00 0.00 38.32 40.73 1jpf h ASN 176 CO 0.24 -0.21 0.17 0.00 -0.37 0.00 0.00 177.43 177.26 1jpf h ALA 177 N 0.17 1.17 0.00 1.57 0.00 -1.87 -0.78 119.26 119.51 1jpf h ALA 177 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1jpf h ALA 177 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1jpf h ALA 177 CO -0.74 -0.17 -1.95 2.41 0.00 0.00 0.00 179.25 178.80 1jpf n THR 178 N -2.91 1.52 -0.23 0.00 -1.04 0.25 -4.13 114.28 107.74 1jpf n THR 178 Ca -0.02 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.73 1jpf n THR 178 Cb 0.23 -2.03 0.04 0.00 -1.82 0.00 0.00 70.33 66.75 1jpf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1jpf h LEU 179 N -1.00 0.81 0.00 -4.42 -0.00 -0.48 -3.00 115.31 107.22 1jpf h LEU 179 Ca -0.48 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1jpf h LEU 179 Cb 1.39 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1jpf h LEU 179 CO -0.29 0.66 0.00 0.18 -0.00 0.00 0.00 178.44 178.99 1jpf n LEU 180 N -4.54 0.00 -4.77 1.67 4.32 -0.31 -4.90 117.00 108.47 1jpf n LEU 180 Ca 0.05 0.47 -0.30 0.00 -0.02 0.00 0.00 56.01 56.20 1jpf n LEU 180 Cb 0.08 -0.47 0.10 0.00 -1.62 0.00 0.00 43.42 41.51 1jpf n LEU 180 CO 0.37 -0.04 0.70 -0.13 -1.22 0.00 0.00 177.39 177.07 1jpf s ARG 181 N -2.93 2.03 0.10 3.23 0.52 -1.13 -5.08 118.95 115.70 1jpf s ARG 181 Ca 0.15 0.88 0.03 0.00 -0.52 0.00 0.00 55.73 56.28 1jpf s ARG 181 Cb 0.18 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1jpf s ARG 181 CO 0.48 -1.72 -0.09 0.95 0.02 0.00 0.00 175.30 174.94 1jpf s THR 182 N -3.01 0.89 -0.26 0.02 -4.23 -1.26 -4.55 115.64 103.24 1jpf s THR 182 Ca 0.61 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1jpf s THR 182 Cb -0.16 -1.51 0.08 0.00 1.34 0.00 0.00 72.50 72.25 1jpf s THR 182 CO 0.56 -0.68 0.03 -1.81 -0.54 0.00 0.00 174.62 172.18 1jpf s ASP 183 N -2.72 3.71 0.57 3.99 1.01 0.37 -4.94 116.67 118.66 1jpf s ASP 183 Ca 0.09 -1.30 -0.18 0.00 0.71 0.00 0.00 52.55 51.86 1jpf s ASP 183 Cb 0.00 -0.94 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 1jpf s ASP 183 CO -0.01 -0.33 1.12 -0.94 0.21 0.00 0.00 175.17 175.22 1jpf s SER 184 N 1.57 5.61 0.56 0.27 1.04 -1.26 -0.60 113.70 120.89 1jpf s SER 184 Ca 0.02 2.12 -0.20 0.00 0.48 0.00 0.00 55.95 58.37 1jpf s SER 184 Cb -0.18 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 1jpf s SER 184 CO -0.13 -1.30 1.23 -2.16 0.98 0.00 0.00 173.24 171.86 1jpf s PRO 185 N -3.48 3.12 -0.27 4.02 0.04 -1.26 -4.59 135.00 132.58 1jpf s PRO 185 Ca 0.71 1.90 -0.07 0.00 0.04 0.00 0.00 61.00 63.59 1jpf s PRO 185 Cb -0.23 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1jpf s PRO 185 CO 0.30 -1.11 0.06 0.15 0.04 0.00 0.00 177.00 176.44 1jpf s LYS 186 N -3.15 3.34 0.25 4.56 1.02 -0.48 -4.89 119.74 120.39 1jpf s LYS 186 Ca 0.74 -0.69 0.12 0.00 0.02 0.00 0.00 55.97 56.16 1jpf s LYS 186 Cb -0.32 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1jpf s LYS 186 CO 0.36 -0.32 -0.21 0.00 -0.92 0.00 0.00 175.35 174.27 1jpf s ALA 187 N 1.54 2.65 0.16 5.17 0.00 -1.26 -0.49 121.76 129.53 1jpf s ALA 187 Ca 0.04 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.95 1jpf s ALA 187 Cb -0.16 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1jpf s ALA 187 CO 0.02 0.30 0.88 -3.38 0.00 0.00 0.00 175.76 173.58 1jpf s HIS 188 N -2.34 -0.19 -0.10 0.00 -3.43 -0.94 -5.00 115.29 103.28 1jpf s HIS 188 Ca 0.27 -0.12 0.04 0.00 -0.80 0.00 0.00 55.06 54.45 1jpf s HIS 188 Cb -0.05 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1jpf s HIS 188 CO 0.13 -0.87 -0.23 0.08 -2.00 0.00 0.00 174.74 171.85 1jpf s VAL 189 N -3.41 2.01 0.30 -5.38 1.01 -1.26 -0.52 120.40 113.15 1jpf s VAL 189 Ca 0.10 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1jpf s VAL 189 Cb -0.02 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1jpf s VAL 189 CO 0.01 0.55 0.21 0.42 0.00 0.00 0.00 175.10 176.28 1jpf s THR 190 N 0.42 3.73 -0.09 3.92 -4.23 0.25 -4.76 115.64 114.88 1jpf s THR 190 Ca -0.17 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1jpf s THR 190 Cb -0.18 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.50 1jpf s THR 190 CO 0.07 -0.25 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.49 1jpf s HIS 191 N -2.27 1.66 0.02 3.99 2.46 -1.26 -1.72 115.29 118.17 1jpf s HIS 191 Ca 0.37 -0.70 0.01 0.00 0.47 0.00 0.00 55.06 55.20 1jpf s HIS 191 Cb -0.06 -1.23 -0.02 0.00 -0.13 0.00 0.00 32.58 31.15 1jpf s HIS 191 CO 0.25 -0.38 -0.04 -1.01 -2.47 0.00 0.00 174.74 171.09 1jpf s HIS 192 N 0.89 0.36 0.41 3.88 3.76 0.49 -4.98 115.29 120.10 1jpf s HIS 192 Ca -0.10 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 1jpf s HIS 192 Cb -0.15 -0.23 -0.08 0.00 1.11 0.00 0.00 32.58 33.22 1jpf s HIS 192 CO 0.01 -0.11 1.18 -1.25 -0.85 0.00 0.00 174.74 173.72 1jpf s PRO 193 N -1.11 4.00 0.06 8.40 0.04 -1.26 0.78 135.00 145.90 1jpf s PRO 193 Ca -0.10 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1jpf s PRO 193 Cb -0.07 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1jpf s PRO 193 CO -0.00 -0.37 0.00 -2.13 0.04 0.00 0.00 177.00 174.54 1jpf n ARG 194 N -0.01 0.00 -3.43 4.56 3.00 -0.96 -4.64 116.66 115.18 1jpf n ARG 194 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.89 1jpf n ARG 194 Cb 0.46 -0.37 0.01 0.00 0.00 0.00 0.00 32.46 32.56 1jpf n ARG 194 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1jpf n SER 195 N -3.11 -1.22 -4.34 6.15 3.41 -0.86 -5.02 113.62 108.64 1jpf n SER 195 Ca 0.00 -1.52 -0.53 0.00 -0.26 0.00 0.00 58.87 56.55 1jpf n SER 195 Cb 0.24 1.95 -0.12 0.00 -0.26 0.00 0.00 64.21 66.01 1jpf n SER 195 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jpf n LYS 196 N -0.63 0.11 -1.39 4.33 3.00 -1.26 0.10 118.16 122.42 1jpf n LYS 196 Ca 0.00 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.20 1jpf n LYS 196 Cb 0.46 -1.62 -0.06 0.00 0.00 0.00 0.00 35.03 33.82 1jpf n LYS 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jpf n GLY 197 N 7.11 1.38 2.96 3.14 0.00 -1.26 -5.00 105.19 113.53 1jpf n GLY 197 Ca 0.57 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 1jpf n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpf s GLU 198 N -3.07 0.35 0.15 1.61 2.02 0.12 -1.14 118.70 118.74 1jpf s GLU 198 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1jpf s GLU 198 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1jpf s GLU 198 CO 0.00 0.06 -0.03 0.14 0.02 0.00 0.00 175.26 175.46 1jpf s VAL 199 N -0.47 0.75 -0.10 2.63 -7.23 0.43 -2.02 120.40 114.38 1jpf s VAL 199 Ca -0.02 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1jpf s VAL 199 Cb -0.04 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1jpf s VAL 199 CO -0.00 -0.61 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.29 1jpf s THR 200 N -3.60 4.27 -0.18 5.32 2.01 0.23 0.53 115.64 124.22 1jpf s THR 200 Ca 0.20 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1jpf s THR 200 Cb 0.05 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1jpf s THR 200 CO 0.01 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 1jpf s LEU 201 N -0.62 2.77 -0.16 4.42 1.43 -0.50 -0.38 118.68 125.64 1jpf s LEU 201 Ca 0.10 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1jpf s LEU 201 Cb -0.12 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1jpf s LEU 201 CO 0.02 0.05 -0.18 -0.60 0.23 0.00 0.00 176.35 175.88 1jpf s ARG 202 N 1.02 3.13 -0.39 1.70 3.52 -0.70 -1.68 118.95 125.55 1jpf s ARG 202 Ca -0.00 -0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 54.67 1jpf s ARG 202 Cb -0.15 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1jpf s ARG 202 CO -0.01 -0.04 0.26 0.00 -0.81 0.00 0.00 175.30 174.70 1jpf s TRP 204 N 1.64 3.59 -0.11 0.00 0.52 0.32 -1.54 118.94 123.37 1jpf s TRP 204 Ca 0.04 0.73 -0.02 0.00 0.02 0.00 0.00 56.10 56.87 1jpf s TRP 204 Cb -0.19 -2.11 0.04 0.00 -1.15 0.00 0.00 33.47 30.06 1jpf s TRP 204 CO 0.09 0.56 -0.00 0.00 0.02 0.00 0.00 176.95 177.62 1jpf s ALA 205 N -1.34 0.86 0.17 0.98 0.00 0.15 -2.20 121.76 120.37 1jpf s ALA 205 Ca 0.30 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1jpf s ALA 205 Cb -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1jpf s ALA 205 CO 0.17 -0.63 -0.14 -0.51 0.00 0.00 0.00 175.76 174.65 1jpf s LEU 206 N 1.91 2.51 -1.43 0.00 1.43 0.36 -1.44 118.68 122.02 1jpf s LEU 206 Ca 0.04 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1jpf s LEU 206 Cb -0.13 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1jpf s LEU 206 CO -0.06 -0.19 0.37 0.61 0.23 0.00 0.00 176.35 177.32 1jpf n GLY 207 N -0.11 -0.51 3.97 -3.19 0.00 -0.43 -1.39 105.19 103.54 1jpf n GLY 207 Ca -0.10 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1jpf n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jpf s PHE 208 N -2.99 3.24 -0.28 1.61 -0.12 -1.01 -4.69 117.98 113.74 1jpf s PHE 208 Ca 0.23 0.03 -0.21 0.00 -0.05 0.00 0.00 56.93 56.92 1jpf s PHE 208 Cb -0.11 -2.03 0.10 0.00 -0.63 0.00 0.00 43.02 40.36 1jpf s PHE 208 CO 0.28 -0.04 0.86 -0.47 -0.05 0.00 0.00 175.22 175.79 1jpf s TYR 209 N -2.29 -0.71 1.03 3.49 5.04 0.23 -0.51 117.35 123.63 1jpf s TYR 209 Ca 0.44 1.58 -0.17 0.00 -2.44 0.00 0.00 57.07 56.48 1jpf s TYR 209 Cb -0.10 0.40 0.26 0.00 0.35 0.00 0.00 41.96 42.87 1jpf s TYR 209 CO 0.34 -0.35 0.86 -0.35 -1.34 0.00 0.00 175.55 174.71 1jpf n PRO 210 N 3.10 -3.02 0.17 4.97 -0.04 -1.26 -0.48 135.00 138.44 1jpf n PRO 210 Ca -0.16 -1.38 0.04 0.00 -0.04 0.00 0.00 63.50 61.96 1jpf n PRO 210 Cb 0.57 -1.36 0.44 0.00 -0.04 0.00 0.00 33.50 33.10 1jpf n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jpf h ALA 211 N -2.73 1.59 -2.54 0.55 0.00 -1.95 -3.45 119.26 110.73 1jpf h ALA 211 Ca -0.33 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 53.83 1jpf h ALA 211 Cb 1.03 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 18.84 1jpf h ALA 211 CO 0.21 0.30 0.76 -0.25 0.00 0.00 0.00 179.25 180.28 1jpf n ASP 212 N -4.29 3.33 -3.52 0.00 9.92 -1.26 -4.97 116.55 115.76 1jpf n ASP 212 Ca -0.02 1.14 -0.08 0.00 -0.53 0.00 0.00 54.79 55.31 1jpf n ASP 212 Cb 0.26 -1.51 -0.02 0.00 -0.64 0.00 0.00 41.12 39.21 1jpf n ASP 212 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1jpf s ILE 213 N 0.07 0.00 -0.03 0.53 2.07 -1.26 -4.70 121.20 117.88 1jpf s ILE 213 Ca 0.67 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 1jpf s ILE 213 Cb -0.57 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.02 1jpf s ILE 213 CO 0.48 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.60 1jpf s THR 214 N -3.02 0.32 -0.02 4.00 2.01 -0.76 -5.01 115.64 113.15 1jpf s THR 214 Ca 0.06 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1jpf s THR 214 Cb -0.01 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1jpf s THR 214 CO -0.08 0.16 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.05 1jpf s LEU 215 N 0.82 2.02 0.07 4.42 1.43 -1.26 -0.57 118.68 125.60 1jpf s LEU 215 Ca -0.09 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1jpf s LEU 215 Cb -0.12 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1jpf s LEU 215 CO -0.01 0.24 0.03 0.42 0.23 0.00 0.00 176.35 177.26 1jpf s THR 216 N -0.37 0.19 0.03 5.49 -4.23 -0.64 -4.98 115.64 111.13 1jpf s THR 216 Ca 0.05 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1jpf s THR 216 Cb -0.09 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 1jpf s THR 216 CO 0.00 -0.86 -0.21 0.26 -0.54 0.00 0.00 174.62 173.27 1jpf s TRP 217 N -3.92 1.82 -0.02 3.99 0.52 -1.26 -1.50 118.94 118.57 1jpf s TRP 217 Ca 0.08 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.85 1jpf s TRP 217 Cb 0.07 -1.10 0.00 0.00 -1.15 0.00 0.00 33.47 31.30 1jpf s TRP 217 CO -0.09 0.07 -0.07 -0.65 0.02 0.00 0.00 176.95 176.23 1jpf s GLN 218 N -1.04 0.77 -0.19 4.98 -0.21 0.06 -1.37 119.66 122.66 1jpf s GLN 218 Ca 0.08 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.23 1jpf s GLN 218 Cb -0.09 -0.74 0.04 0.00 1.00 0.00 0.00 33.01 33.22 1jpf s GLN 218 CO 0.01 0.08 -0.12 -1.17 -2.12 0.00 0.00 175.29 171.97 1jpf s LEU 219 N 0.24 2.21 -1.36 2.90 2.96 -0.73 -2.13 118.68 122.77 1jpf s LEU 219 Ca -0.03 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 52.99 1jpf s LEU 219 Cb -0.08 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.37 1jpf s LEU 219 CO 0.00 -0.11 1.10 0.59 -1.32 0.00 0.00 176.35 176.61 1jpf n ASN 220 N 4.68 -5.13 -0.22 3.68 3.02 -1.26 -2.30 115.26 117.74 1jpf n ASN 220 Ca -0.16 -0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 53.76 1jpf n ASN 220 Cb 0.47 -4.82 -0.01 0.00 -0.61 0.00 0.00 39.78 34.81 1jpf n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jpf n GLY 221 N -1.79 0.56 3.38 7.41 0.00 -1.26 -5.01 105.19 108.47 1jpf n GLY 221 Ca -0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1jpf n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jpf s GLU 222 N -1.44 1.73 0.40 1.61 -1.05 -0.97 -5.11 118.70 113.86 1jpf s GLU 222 Ca 0.00 -1.16 -0.25 0.00 -0.15 0.00 0.00 54.97 53.41 1jpf s GLU 222 Cb 0.00 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.61 1jpf s GLU 222 CO 0.00 0.50 1.13 -1.21 0.95 0.00 0.00 175.26 176.62 1jpf s GLU 223 N -1.53 4.08 -0.63 -4.83 0.41 -1.26 -1.77 118.70 113.17 1jpf s GLU 223 Ca 0.13 1.72 0.03 0.00 -0.41 0.00 0.00 54.97 56.44 1jpf s GLU 223 Cb -0.10 -2.63 0.37 0.00 -1.78 0.00 0.00 34.13 30.00 1jpf s GLU 223 CO 0.04 -0.26 1.35 1.28 -0.49 0.00 0.00 175.26 177.17 1jpf n LEU 224 N 0.02 5.56 0.06 1.80 4.77 -0.47 -4.88 117.00 123.85 1jpf n LEU 224 Ca 0.05 -5.28 -0.16 0.00 -0.03 0.00 0.00 56.01 50.59 1jpf n LEU 224 Cb 0.48 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1jpf n LEU 224 CO 0.49 2.15 0.52 0.71 -1.33 0.00 0.00 177.39 179.92 1jpf h THR 225 N 2.52 0.01 -3.66 -5.08 1.35 -1.95 -3.18 112.91 102.92 1jpf h THR 225 Ca 0.34 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.70 1jpf h THR 225 Cb 0.56 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1jpf h THR 225 CO 1.00 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 176.48 1jpf s GLN 226 N -5.76 4.46 0.00 4.72 -2.07 -1.26 -3.19 119.66 116.56 1jpf s GLN 226 Ca -0.16 1.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.49 1jpf s GLN 226 Cb 0.07 -2.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.02 1jpf s GLN 226 CO 0.61 0.41 0.00 -0.25 -1.32 0.00 0.00 175.29 174.74 1jpf n ASP 227 N 0.92 0.00 -4.44 12.60 8.00 -1.26 -5.04 116.55 127.33 1jpf n ASP 227 Ca -0.02 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 1jpf n ASP 227 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 1jpf n ASP 227 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1jpf s MET 228 N -0.74 3.54 -0.27 -1.24 1.75 -1.19 -4.31 119.30 116.84 1jpf s MET 228 Ca 0.00 -0.59 -0.11 0.00 -1.25 0.00 0.00 55.69 53.75 1jpf s MET 228 Cb 0.00 -2.83 -0.05 0.00 2.84 0.00 0.00 34.83 34.80 1jpf s MET 228 CO 0.00 0.19 0.18 -2.00 -0.65 0.00 0.00 175.02 172.74 1jpf s GLU 229 N 0.47 3.94 -0.24 4.11 2.12 0.85 -4.94 118.70 125.01 1jpf s GLU 229 Ca -0.06 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 1jpf s GLU 229 Cb -0.15 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.65 1jpf s GLU 229 CO 0.03 -0.15 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.36 1jpf s LEU 230 N 1.67 3.10 0.89 2.70 2.96 -1.26 -0.65 118.68 128.09 1jpf s LEU 230 Ca 0.07 -0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 1jpf s LEU 230 Cb -0.16 -1.66 0.12 0.00 0.50 0.00 0.00 46.19 45.00 1jpf s LEU 230 CO 0.10 -0.11 1.10 0.68 -1.32 0.00 0.00 176.35 176.79 1jpf s VAL 231 N 1.33 2.63 0.22 1.68 -7.23 -0.94 -4.99 120.40 113.10 1jpf s VAL 231 Ca 0.01 0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 1jpf s VAL 231 Cb -0.16 -2.76 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 1jpf s VAL 231 CO -0.05 -0.27 0.98 -1.61 -0.31 0.00 0.00 175.10 173.85 1jpf s GLU 232 N -5.00 4.77 0.30 4.82 8.01 -1.26 -4.71 118.70 125.64 1jpf s GLU 232 Ca 0.63 1.55 -0.30 0.00 0.01 0.00 0.00 54.97 56.87 1jpf s GLU 232 Cb -0.17 -3.28 -0.12 0.00 -4.31 0.00 0.00 34.13 26.24 1jpf s GLU 232 CO 0.56 0.38 1.45 2.41 0.01 0.00 0.00 175.26 180.07 1jpf n THR 233 N 1.76 1.40 -4.07 3.63 -1.04 -1.26 -4.87 114.28 109.83 1jpf n THR 233 Ca -0.01 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.52 1jpf n THR 233 Cb 0.47 -1.73 -0.12 0.00 -1.82 0.00 0.00 70.33 67.13 1jpf n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jpf s ARG 234 N -1.07 0.48 0.25 -2.82 1.70 -0.77 -4.98 118.95 111.74 1jpf s ARG 234 Ca 0.61 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 1jpf s ARG 234 Cb -0.55 -0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 33.46 1jpf s ARG 234 CO 0.55 0.05 1.05 -1.25 -1.08 0.00 0.00 175.30 174.62 1jpf s PRO 235 N -1.27 4.70 0.34 3.89 0.04 -1.26 -1.02 135.00 140.41 1jpf s PRO 235 Ca -0.08 1.70 0.18 0.00 0.04 0.00 0.00 61.00 62.84 1jpf s PRO 235 Cb -0.08 -3.23 0.40 0.00 0.04 0.00 0.00 34.50 31.62 1jpf s PRO 235 CO 0.00 0.28 1.60 0.00 0.04 0.00 0.00 177.00 178.92 1jpf h ALA 236 N 4.12 0.83 0.00 8.56 0.00 -1.39 -3.46 119.26 127.91 1jpf h ALA 236 Ca -0.46 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jpf h ALA 236 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jpf h ALA 236 CO 0.68 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.83 1jpf n GLY 237 N 0.77 0.47 0.47 0.00 0.00 -1.26 -4.92 105.19 100.72 1jpf n GLY 237 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1jpf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jpf n ASP 238 N 0.00 2.90 0.00 1.61 5.68 -1.26 -4.94 116.55 120.54 1jpf n ASP 238 Ca 0.00 -2.48 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 1jpf n ASP 238 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1jpf n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jpf n GLY 239 N -0.34 3.09 4.01 6.12 0.00 -1.26 -5.07 105.19 111.74 1jpf n GLY 239 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1jpf n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jpf s THR 240 N -2.71 2.81 0.40 2.61 -4.23 -1.26 -4.91 115.64 108.35 1jpf s THR 240 Ca 0.00 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1jpf s THR 240 Cb 0.00 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1jpf s THR 240 CO 0.00 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 173.74 1jpf s PHE 241 N -2.44 2.33 0.03 3.99 0.40 0.33 -1.04 117.98 121.59 1jpf s PHE 241 Ca 0.57 -0.77 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1jpf s PHE 241 Cb -0.09 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 1jpf s PHE 241 CO 0.35 0.32 -0.03 -0.65 0.70 0.00 0.00 175.22 175.90 1jpf s GLN 242 N -3.76 0.44 -0.10 0.44 -0.21 -0.19 -1.31 119.66 114.96 1jpf s GLN 242 Ca 0.33 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 1jpf s GLN 242 Cb 0.09 0.13 0.11 0.00 1.00 0.00 0.00 33.01 34.34 1jpf s GLN 242 CO 0.16 -0.07 0.91 0.21 -2.12 0.00 0.00 175.29 174.39 1jpf s LYS 243 N -2.43 0.74 0.08 2.91 2.20 -0.52 -1.85 119.74 120.87 1jpf s LYS 243 Ca -0.07 0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 1jpf s LYS 243 Cb -0.03 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1jpf s LYS 243 CO -0.04 -0.26 0.23 1.67 -0.36 0.00 0.00 175.35 176.59 1jpf s TRP 244 N -1.67 0.06 -0.02 4.03 1.48 -1.26 -0.68 118.94 120.89 1jpf s TRP 244 Ca -0.02 -0.41 0.00 0.00 -1.06 0.00 0.00 56.10 54.61 1jpf s TRP 244 Cb -0.01 0.01 0.02 0.00 -1.16 0.00 0.00 33.47 32.34 1jpf s TRP 244 CO 0.00 -0.55 0.01 0.00 -4.06 0.00 0.00 176.95 172.35 1jpf s ALA 245 N -3.55 0.13 0.17 2.67 0.00 -0.59 -2.22 121.76 118.37 1jpf s ALA 245 Ca 0.02 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.23 1jpf s ALA 245 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1jpf s ALA 245 CO -0.09 -0.06 -0.13 -1.54 0.00 0.00 0.00 175.76 173.93 1jpf s SER 246 N 0.75 2.19 0.03 0.00 1.04 0.18 -0.22 113.70 117.66 1jpf s SER 246 Ca -0.07 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 55.37 1jpf s SER 246 Cb -0.10 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1jpf s SER 246 CO -0.02 -0.23 -0.03 0.68 0.98 0.00 0.00 173.24 174.62 1jpf s VAL 247 N -3.03 0.13 -0.16 5.02 -7.23 -0.68 -0.10 120.40 114.35 1jpf s VAL 247 Ca 0.19 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1jpf s VAL 247 Cb 0.00 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1jpf s VAL 247 CO 0.04 -0.60 0.17 -0.69 -0.31 0.00 0.00 175.10 173.70 1jpf s VAL 248 N -1.97 5.41 0.07 1.32 1.01 -1.26 -1.40 120.40 123.58 1jpf s VAL 248 Ca -0.11 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1jpf s VAL 248 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1jpf s VAL 248 CO -0.03 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 1jpf s VAL 249 N -0.12 0.75 0.20 2.92 1.01 0.19 -4.95 120.40 120.39 1jpf s VAL 249 Ca 0.12 -1.34 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 1jpf s VAL 249 Cb -0.12 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1jpf s VAL 249 CO 0.01 -0.45 1.44 -2.16 0.00 0.00 0.00 175.10 173.94 1jpf s PRO 250 N -2.13 4.28 0.06 2.72 0.04 -1.26 -0.43 135.00 138.28 1jpf s PRO 250 Ca -0.03 2.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1jpf s PRO 250 Cb -0.07 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 1jpf s PRO 250 CO 0.00 -0.44 1.84 -1.17 0.04 0.00 0.00 177.00 177.27 1jpf s LEU 251 N 0.29 4.40 0.00 -3.56 2.96 -0.29 -1.65 118.68 120.82 1jpf s LEU 251 Ca 0.62 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 57.15 1jpf s LEU 251 Cb -0.41 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.74 1jpf s LEU 251 CO 0.37 -1.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.02 1jpf n GLY 252 N 4.31 0.97 0.18 7.98 0.00 -1.26 -4.94 105.19 112.42 1jpf n GLY 252 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1jpf n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jpf n LYS 253 N -1.09 0.62 -0.28 1.61 5.02 -0.66 -4.83 118.16 118.55 1jpf n LYS 253 Ca 0.00 -1.09 0.15 0.00 -2.02 0.00 0.00 58.31 55.35 1jpf n LYS 253 Cb 0.00 -0.71 0.41 0.00 -0.02 0.00 0.00 35.03 34.72 1jpf n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jpf h GLU 254 N 0.00 0.59 0.00 1.97 3.07 -1.93 -0.94 114.58 117.34 1jpf h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1jpf h GLU 254 Cb 1.06 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1jpf h GLU 254 CO 0.00 0.39 0.00 1.96 -1.40 0.00 0.00 179.01 179.96 1jpf h GLN 255 N 0.60 0.00 0.00 2.33 1.08 -1.89 -2.46 115.11 114.77 1jpf h GLN 255 Ca 0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1jpf h GLN 255 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1jpf h GLN 255 CO -0.23 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.74 1jpf n ASN 256 N -2.61 0.00 -4.55 1.46 5.03 -0.36 -4.82 115.26 109.41 1jpf n ASN 256 Ca 0.00 -0.67 -0.32 0.00 0.87 0.00 0.00 54.58 54.46 1jpf n ASN 256 Cb 0.19 -0.11 -0.11 0.00 -1.02 0.00 0.00 39.78 38.73 1jpf n ASN 256 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1jpf s TYR 257 N -2.22 2.81 0.04 3.10 1.51 -0.93 -4.09 117.35 117.58 1jpf s TYR 257 Ca 0.41 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1jpf s TYR 257 Cb 0.21 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1jpf s TYR 257 CO 0.40 0.31 -0.12 0.95 -1.11 0.00 0.00 175.55 175.99 1jpf s THR 258 N -0.89 0.89 -0.08 -0.71 -4.23 -0.91 -4.50 115.64 105.22 1jpf s THR 258 Ca 0.14 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1jpf s THR 258 Cb -0.11 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 1jpf s THR 258 CO 0.04 -0.10 -0.08 0.00 -0.54 0.00 0.00 174.62 173.94 1jpf s ARG 260 N -0.58 2.09 -0.12 0.00 3.00 -0.56 -0.23 118.95 122.55 1jpf s ARG 260 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 55.73 54.88 1jpf s ARG 260 Cb -0.12 -2.12 0.02 0.00 0.00 0.00 0.00 34.95 32.74 1jpf s ARG 260 CO 0.02 0.55 -0.14 0.08 0.00 0.00 0.00 175.30 175.82 1jpf s VAL 261 N -0.75 1.44 -0.12 3.52 1.01 -0.94 -1.62 120.40 122.95 1jpf s VAL 261 Ca 0.12 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1jpf s VAL 261 Cb -0.10 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1jpf s VAL 261 CO 0.01 0.43 -0.15 -0.31 0.00 0.00 0.00 175.10 175.09 1jpf s TYR 262 N 1.24 2.76 -0.13 5.22 1.51 0.26 -1.63 117.35 126.58 1jpf s TYR 262 Ca -0.01 -0.65 -0.28 0.00 -1.01 0.00 0.00 57.07 55.12 1jpf s TYR 262 Cb -0.14 -1.80 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1jpf s TYR 262 CO -0.05 -0.20 0.67 -1.58 -1.11 0.00 0.00 175.55 173.28 1jpf s HIS 263 N 0.22 -0.68 0.52 2.71 2.46 -1.26 -1.82 115.29 117.44 1jpf s HIS 263 Ca -0.09 1.38 0.30 0.00 0.47 0.00 0.00 55.06 57.12 1jpf s HIS 263 Cb -0.16 0.34 1.44 0.00 -0.13 0.00 0.00 32.58 34.08 1jpf s HIS 263 CO 0.06 -0.51 1.87 0.93 -2.47 0.00 0.00 174.74 174.62 1jpf h GLU 264 N 3.80 0.05 -0.01 2.88 5.08 -1.94 0.34 114.58 124.78 1jpf h GLU 264 Ca -0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1jpf h GLU 264 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1jpf h GLU 264 CO 0.27 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 1jpf n GLY 265 N -1.69 -0.61 3.23 -3.84 0.00 -1.26 -4.65 105.19 96.36 1jpf n GLY 265 Ca 0.20 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1jpf n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jpf s LEU 266 N -1.94 4.30 0.46 0.99 1.02 0.12 -4.69 118.68 118.95 1jpf s LEU 266 Ca 0.42 -1.26 0.24 0.00 0.02 0.00 0.00 54.13 53.55 1jpf s LEU 266 Cb 0.21 -1.82 1.12 0.00 0.02 0.00 0.00 46.19 45.71 1jpf s LEU 266 CO 0.34 -0.33 1.93 1.55 0.02 0.00 0.00 176.35 179.85 1jpf h PRO 267 N 8.15 0.00 -4.08 1.29 0.13 -1.82 -3.42 132.00 132.25 1jpf h PRO 267 Ca -0.22 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.50 1jpf h PRO 267 Cb 1.07 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 1jpf h PRO 267 CO 0.60 0.21 -0.77 -2.00 -0.23 0.00 0.00 178.00 175.80 1jpf s GLU 268 N -3.93 0.84 0.59 0.86 2.56 -1.26 -5.14 118.70 113.23 1jpf s GLU 268 Ca -0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 54.97 54.63 1jpf s GLU 268 Cb 0.12 -0.83 -0.03 0.00 2.00 0.00 0.00 34.13 35.39 1jpf s GLU 268 CO 0.62 -0.06 1.31 -1.25 -0.56 0.00 0.00 175.26 175.33 1jpf s PRO 269 N 0.81 2.88 0.57 4.30 0.04 -1.26 -5.00 135.00 137.34 1jpf s PRO 269 Ca -0.11 2.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1jpf s PRO 269 Cb -0.14 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1jpf s PRO 269 CO 0.00 -1.35 1.01 -0.51 0.04 0.00 0.00 177.00 176.19 1jpf s LEU 270 N -3.95 3.41 -0.11 -3.56 1.43 -0.64 -4.86 118.68 110.39 1jpf s LEU 270 Ca 0.77 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.34 1jpf s LEU 270 Cb -0.38 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.40 1jpf s LEU 270 CO 0.42 -0.75 0.03 -0.89 0.23 0.00 0.00 176.35 175.39 1jpf s THR 271 N -2.93 0.29 0.17 5.49 2.01 -1.26 -2.21 115.64 117.22 1jpf s THR 271 Ca 0.57 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.61 1jpf s THR 271 Cb -0.11 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1jpf s THR 271 CO 0.44 0.06 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.48 1jpf s LEU 272 N 1.99 2.45 0.12 4.42 1.02 0.68 -4.95 118.68 124.42 1jpf s LEU 272 Ca 0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.13 53.31 1jpf s LEU 272 Cb -0.14 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1jpf s LEU 272 CO -0.06 -0.02 0.01 -0.13 0.02 0.00 0.00 176.35 176.18 1jpf s ARG 273 N -2.84 0.91 0.28 1.70 0.52 -1.26 -0.17 118.95 118.08 1jpf s ARG 273 Ca 0.17 -1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 53.67 1jpf s ARG 273 Cb -0.06 0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.37 1jpf s ARG 273 CO 0.07 -0.17 1.20 -0.46 0.02 0.00 0.00 175.30 175.97 1jpf s TRP 274 N -3.87 3.34 -0.35 -0.53 -0.00 -1.26 -4.73 118.94 111.54 1jpf s TRP 274 Ca 0.20 1.52 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 1jpf s TRP 274 Cb 0.07 -3.47 0.11 0.00 -0.00 0.00 0.00 33.47 30.18 1jpf s TRP 274 CO -0.00 -1.22 0.12 -1.83 -0.00 0.00 0.00 176.95 174.02 1jpf s GLU 275 N -1.30 1.04 0.00 5.86 1.03 -1.26 -4.87 118.70 119.19 1jpf s GLU 275 Ca 0.48 -1.49 0.01 0.00 0.03 0.00 0.00 54.97 54.00 1jpf s GLU 275 Cb -0.35 -2.37 0.05 0.00 -0.80 0.00 0.00 34.13 30.66 1jpf s GLU 275 CO 0.44 -1.02 0.54 -0.35 -1.33 0.00 0.00 175.26 173.55