#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf5 s LEU 2 N 0.00 4.07 0.50 3.17 1.02 -1.26 -4.91 118.68 121.27 1jf5 s LEU 2 Ca 0.00 -0.97 0.16 0.00 0.02 0.00 0.00 54.13 53.34 1jf5 s LEU 2 Cb 0.00 -2.46 1.20 0.00 0.02 0.00 0.00 46.19 44.95 1jf5 s LEU 2 CO 0.00 -1.52 2.10 -0.07 0.02 0.00 0.00 176.35 176.88 1jf5 h LEU 3 N 11.79 0.00 0.00 1.79 3.38 -2.01 -1.95 115.31 128.31 1jf5 h LEU 3 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jf5 h LEU 3 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jf5 h LEU 3 CO 1.22 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 179.19 1jf5 n GLU 4 N -4.44 0.05 0.00 1.13 4.71 -1.26 -1.94 120.64 118.88 1jf5 n GLU 4 Ca -0.03 0.26 0.09 0.00 -0.01 0.00 0.00 57.16 57.47 1jf5 n GLU 4 Cb 0.14 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.14 1jf5 n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jf5 n ALA 5 N -1.44 2.57 -2.33 0.62 0.00 -0.73 -4.95 120.51 114.24 1jf5 n ALA 5 Ca 0.04 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 1jf5 n ALA 5 Cb 0.13 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1jf5 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jf5 s ILE 6 N -1.62 4.76 0.02 0.00 1.01 -0.82 -4.06 121.20 120.49 1jf5 s ILE 6 Ca 0.21 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.17 1jf5 s ILE 6 Cb 0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1jf5 s ILE 6 CO 0.26 0.49 -0.04 0.12 0.00 0.00 0.00 174.94 175.76 1jf5 s PHE 7 N -0.70 0.39 -0.13 3.97 5.36 0.29 -4.97 117.98 122.20 1jf5 s PHE 7 Ca 0.31 -0.38 -0.31 0.00 -0.96 0.00 0.00 56.93 55.59 1jf5 s PHE 7 Cb -0.19 -0.25 0.13 0.00 -0.34 0.00 0.00 43.02 42.36 1jf5 s PHE 7 CO 0.19 -0.10 1.04 -1.58 -1.46 0.00 0.00 175.22 173.32 1jf5 s HIS 8 N -1.03 -0.27 -0.11 10.12 5.65 -1.26 -2.01 115.29 126.37 1jf5 s HIS 8 Ca -0.09 0.30 -0.18 0.00 0.25 0.00 0.00 55.06 55.34 1jf5 s HIS 8 Cb -0.07 0.50 0.04 0.00 -1.18 0.00 0.00 32.58 31.87 1jf5 s HIS 8 CO -0.00 -0.35 0.46 -1.83 -0.65 0.00 0.00 174.74 172.37 1jf5 s GLU 9 N -2.12 0.66 -0.10 2.88 -1.05 -1.26 -5.04 118.70 112.66 1jf5 s GLU 9 Ca 0.04 0.36 -0.06 0.00 -0.15 0.00 0.00 54.97 55.16 1jf5 s GLU 9 Cb -0.01 0.31 -0.23 0.00 -0.44 0.00 0.00 34.13 33.77 1jf5 s GLU 9 CO -0.04 -0.14 3.21 0.00 0.95 0.00 0.00 175.26 179.24 1jf5 n ALA 10 N 2.10 5.81 -3.10 -0.84 0.00 -1.26 -3.71 120.51 119.51 1jf5 n ALA 10 Ca -0.17 -1.72 0.02 0.00 0.00 0.00 0.00 53.44 51.57 1jf5 n ALA 10 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1jf5 n ALA 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jf5 n LYS 11 N 2.65 0.02 0.00 0.00 2.85 -1.24 -4.89 118.16 117.54 1jf5 n LYS 11 Ca 0.40 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 1jf5 n LYS 11 Cb 0.76 0.13 0.00 0.00 -0.65 0.00 0.00 35.03 35.27 1jf5 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jf5 n GLY 12 N -0.09 3.36 0.50 2.58 0.00 -1.25 -1.94 105.19 108.35 1jf5 n GLY 12 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1jf5 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jf5 n SER 13 N 4.12 1.65 -0.34 1.61 7.64 -1.26 -4.01 113.62 123.02 1jf5 n SER 13 Ca 0.00 -1.44 0.07 0.00 1.01 0.00 0.00 58.87 58.52 1jf5 n SER 13 Cb 0.00 0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1jf5 n SER 13 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jf5 n TYR 14 N 0.16 0.00 -3.15 1.43 4.01 -0.82 -4.75 117.16 114.04 1jf5 n TYR 14 Ca 0.16 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.94 1jf5 n TYR 14 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.42 1jf5 n TYR 14 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jf5 s ALA 15 N -1.81 -2.27 -0.00 -0.72 0.00 -0.85 -1.11 121.76 114.99 1jf5 s ALA 15 Ca 0.12 1.84 -0.27 0.00 0.00 0.00 0.00 51.96 53.66 1jf5 s ALA 15 Cb 0.12 -2.18 0.06 0.00 0.00 0.00 0.00 23.12 21.13 1jf5 s ALA 15 CO 0.38 -1.34 0.61 1.52 0.00 0.00 0.00 175.76 176.93 1jf5 s TYR 16 N 2.86 -0.56 0.48 0.00 -0.85 -0.85 -3.71 117.35 114.72 1jf5 s TYR 16 Ca 0.21 0.83 -0.14 0.00 -0.52 0.00 0.00 57.07 57.45 1jf5 s TYR 16 Cb -0.15 0.38 -0.07 0.00 0.38 0.00 0.00 41.96 42.50 1jf5 s TYR 16 CO -0.21 -0.62 0.91 -1.25 -1.52 0.00 0.00 175.55 172.86 1jf5 s PRO 17 N -1.73 3.87 -0.00 -3.49 0.04 -1.26 -0.53 135.00 131.90 1jf5 s PRO 17 Ca -0.09 0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.75 1jf5 s PRO 17 Cb -0.01 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1jf5 s PRO 17 CO 0.05 -0.20 0.11 0.44 0.04 0.00 0.00 177.00 177.43 1jf5 n ILE 18 N -1.54 0.00 -4.08 0.56 -5.35 0.05 -4.54 119.36 104.46 1jf5 n ILE 18 Ca 0.05 -0.33 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1jf5 n ILE 18 Cb 0.54 0.84 -0.04 0.00 -1.74 0.00 0.00 39.64 39.23 1jf5 n ILE 18 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1jf5 s SER 19 N -1.59 0.81 0.53 7.28 0.15 -1.18 -4.96 113.70 114.73 1jf5 s SER 19 Ca 0.00 -1.44 0.31 0.00 0.70 0.00 0.00 55.95 55.53 1jf5 s SER 19 Cb 0.02 0.66 1.24 0.00 -1.71 0.00 0.00 66.02 66.23 1jf5 s SER 19 CO 0.13 -1.29 1.94 -0.08 1.20 0.00 0.00 173.24 175.14 1jf5 h GLU 20 N 2.13 0.00 0.00 5.44 4.81 -1.95 -3.21 114.58 121.80 1jf5 h GLU 20 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1jf5 h GLU 20 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1jf5 h GLU 20 CO 0.39 0.04 -0.00 0.25 -0.73 0.00 0.00 179.01 178.96 1jf5 n THR 21 N -3.15 0.91 -3.91 0.32 -2.24 -1.26 -4.72 114.28 100.23 1jf5 n THR 21 Ca 0.01 -0.91 -0.27 0.00 -2.27 0.00 0.00 64.05 60.61 1jf5 n THR 21 Cb 0.34 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 68.94 1jf5 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jf5 s GLN 22 N -0.91 1.55 -0.22 -0.78 -0.21 -1.21 -0.45 119.66 117.42 1jf5 s GLN 22 Ca 0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.03 1jf5 s GLN 22 Cb 0.00 -1.66 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 1jf5 s GLN 22 CO 0.00 -0.29 0.01 -1.17 -2.12 0.00 0.00 175.29 171.72 1jf5 s LEU 23 N 1.69 3.18 0.20 2.90 2.96 -0.36 -0.77 118.68 128.50 1jf5 s LEU 23 Ca 0.04 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 1jf5 s LEU 23 Cb -0.13 -1.83 -0.08 0.00 0.50 0.00 0.00 46.19 44.65 1jf5 s LEU 23 CO -0.08 0.00 0.75 -0.60 -1.32 0.00 0.00 176.35 175.10 1jf5 s ARG 24 N 1.37 4.38 -0.03 1.98 6.06 0.31 -0.33 118.95 132.70 1jf5 s ARG 24 Ca 0.05 1.00 0.02 0.00 -2.50 0.00 0.00 55.73 54.30 1jf5 s ARG 24 Cb -0.15 -3.02 0.01 0.00 0.06 0.00 0.00 34.95 31.85 1jf5 s ARG 24 CO 0.01 0.46 -0.10 0.14 -2.50 0.00 0.00 175.30 173.31 1jf5 s VAL 25 N -1.39 0.84 0.11 7.11 -7.23 -0.38 -2.00 120.40 117.46 1jf5 s VAL 25 Ca 0.40 -0.38 0.09 0.00 -1.81 0.00 0.00 61.98 60.29 1jf5 s VAL 25 Cb -0.19 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1jf5 s VAL 25 CO 0.23 0.27 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.93 1jf5 s ARG 26 N 0.29 1.23 -0.08 4.82 0.52 -0.27 -1.37 118.95 124.09 1jf5 s ARG 26 Ca -0.05 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 53.89 1jf5 s ARG 26 Cb -0.10 -1.56 0.02 0.00 0.52 0.00 0.00 34.95 33.84 1jf5 s ARG 26 CO 0.01 0.37 0.20 -1.17 0.02 0.00 0.00 175.30 174.72 1jf5 s LEU 27 N -1.92 1.14 0.18 2.53 2.96 -0.52 -4.70 118.68 118.35 1jf5 s LEU 27 Ca 0.09 0.40 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 1jf5 s LEU 27 Cb -0.10 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.21 1jf5 s LEU 27 CO 0.05 -0.08 -0.18 0.00 -1.32 0.00 0.00 176.35 174.81 1jf5 s ARG 28 N 0.27 1.31 0.21 1.98 1.70 -0.85 -0.98 118.95 122.60 1jf5 s ARG 28 Ca -0.01 -1.46 -0.19 0.00 -0.47 0.00 0.00 55.73 53.60 1jf5 s ARG 28 Cb -0.03 -1.34 0.03 0.00 -0.57 0.00 0.00 34.95 33.04 1jf5 s ARG 28 CO -0.01 0.27 0.57 0.00 -1.08 0.00 0.00 175.30 175.05 1jf5 s ALA 29 N -2.19 -1.07 0.30 7.88 0.00 -1.06 -0.54 121.76 125.08 1jf5 s ALA 29 Ca 0.18 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1jf5 s ALA 29 Cb -0.05 0.87 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 1jf5 s ALA 29 CO 0.07 -0.85 1.11 1.17 0.00 0.00 0.00 175.76 177.26 1jf5 n LYS 30 N -0.37 1.61 -1.68 0.00 4.81 -1.26 -1.38 118.16 119.89 1jf5 n LYS 30 Ca -0.10 0.57 -0.49 0.00 -0.87 0.00 0.00 58.31 57.42 1jf5 n LYS 30 Cb 0.62 -2.01 -0.05 0.00 0.02 0.00 0.00 35.03 33.61 1jf5 n LYS 30 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jf5 n LYS 31 N 0.71 1.99 0.00 1.64 4.81 -0.29 -0.75 118.16 126.27 1jf5 n LYS 31 Ca 0.08 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1jf5 n LYS 31 Cb 0.33 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1jf5 n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jf5 n GLY 32 N 4.00 2.60 0.27 3.14 0.00 -1.26 -4.90 105.19 109.04 1jf5 n GLY 32 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1jf5 n GLY 32 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jf5 h ASP 33 N 0.00 0.50 -4.49 1.61 3.58 -1.27 -3.44 116.42 112.91 1jf5 h ASP 33 Ca 0.00 -0.09 -0.68 0.00 0.42 0.00 0.00 57.03 56.68 1jf5 h ASP 33 Cb 0.00 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 40.62 1jf5 h ASP 33 CO 0.00 0.56 -0.88 -0.69 -2.88 0.00 0.00 179.24 175.35 1jf5 s VAL 34 N -5.01 1.98 -0.09 2.25 1.01 -1.26 -4.44 120.40 114.84 1jf5 s VAL 34 Ca -0.08 -1.06 0.15 0.00 0.00 0.00 0.00 61.98 60.99 1jf5 s VAL 34 Cb 0.16 -1.65 -0.22 0.00 0.00 0.00 0.00 36.38 34.67 1jf5 s VAL 34 CO 0.76 0.56 0.19 0.52 0.00 0.00 0.00 175.10 177.14 1jf5 n VAL 35 N 2.54 0.54 -3.75 2.92 0.31 0.12 -4.96 118.33 116.06 1jf5 n VAL 35 Ca -0.16 -0.51 -0.12 0.00 -0.01 0.00 0.00 64.34 63.53 1jf5 n VAL 35 Cb 0.51 -0.26 -0.13 0.00 -0.91 0.00 0.00 33.84 33.06 1jf5 n VAL 35 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1jf5 s ARG 36 N -2.72 0.22 -0.18 5.55 3.52 -1.13 -4.99 118.95 119.23 1jf5 s ARG 36 Ca -0.07 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1jf5 s ARG 36 Cb 0.07 -0.05 0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1jf5 s ARG 36 CO 0.64 -0.13 -0.09 0.00 -0.81 0.00 0.00 175.30 174.91 1jf5 s GLU 38 N 1.48 2.02 -0.22 0.00 2.12 0.32 -2.25 118.70 122.17 1jf5 s GLU 38 Ca 0.00 -1.04 -0.01 0.00 0.36 0.00 0.00 54.97 54.28 1jf5 s GLU 38 Cb -0.16 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1jf5 s GLU 38 CO -0.08 0.52 -0.10 0.08 -0.54 0.00 0.00 175.26 175.14 1jf5 s VAL 39 N -1.07 2.73 -0.23 3.70 1.01 0.22 -0.80 120.40 125.97 1jf5 s VAL 39 Ca 0.17 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1jf5 s VAL 39 Cb -0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1jf5 s VAL 39 CO 0.09 0.34 0.09 -0.76 0.00 0.00 0.00 175.10 174.86 1jf5 s LEU 40 N 1.34 3.63 0.26 3.92 1.02 -0.63 -0.22 118.68 128.00 1jf5 s LEU 40 Ca 0.03 -0.10 -0.07 0.00 0.02 0.00 0.00 54.13 54.01 1jf5 s LEU 40 Cb -0.15 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 1jf5 s LEU 40 CO -0.07 0.02 0.38 -0.72 0.02 0.00 0.00 176.35 175.99 1jf5 s TYR 41 N 1.29 0.76 0.14 0.29 -0.85 -0.21 -0.17 117.35 118.60 1jf5 s TYR 41 Ca 0.05 -1.05 -0.25 0.00 -0.52 0.00 0.00 57.07 55.31 1jf5 s TYR 41 Cb -0.15 -0.09 0.07 0.00 0.38 0.00 0.00 41.96 42.18 1jf5 s TYR 41 CO 0.04 -0.93 1.03 0.00 -1.52 0.00 0.00 175.55 174.17 1jf5 s ALA 42 N -3.82 -1.71 0.49 9.51 0.00 -0.61 0.16 121.76 125.77 1jf5 s ALA 42 Ca 0.29 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1jf5 s ALA 42 Cb 0.01 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.71 1jf5 s ALA 42 CO 0.13 -1.05 1.30 0.34 0.00 0.00 0.00 175.76 176.48 1jf5 s ASP 43 N -3.09 5.76 0.56 0.00 2.15 -1.26 -0.90 116.67 119.89 1jf5 s ASP 43 Ca 0.15 2.64 0.26 0.00 0.43 0.00 0.00 52.55 56.03 1jf5 s ASP 43 Cb -0.01 -2.63 1.48 0.00 -0.30 0.00 0.00 42.92 41.46 1jf5 s ASP 43 CO 0.02 -1.22 2.02 0.03 -0.17 0.00 0.00 175.17 175.84 1jf5 h ARG 44 N 1.93 0.00 -0.38 4.34 3.08 -1.84 -0.33 114.38 121.19 1jf5 h ARG 44 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1jf5 h ARG 44 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1jf5 h ARG 44 CO 0.59 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.15 1jf5 n TYR 45 N -4.11 0.49 -1.75 3.04 4.02 -1.26 -4.96 117.16 112.62 1jf5 n TYR 45 Ca 0.07 -0.29 -0.41 0.00 -0.01 0.00 0.00 57.90 57.25 1jf5 n TYR 45 Cb 0.51 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.84 1jf5 n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jf5 n ALA 46 N 1.24 1.99 -1.78 -0.72 0.00 -0.13 -4.90 120.51 116.21 1jf5 n ALA 46 Ca 0.17 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1jf5 n ALA 46 Cb 0.54 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1jf5 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jf5 n SER 47 N 0.20 3.79 0.31 0.00 2.88 -1.26 -4.89 113.62 114.66 1jf5 n SER 47 Ca 0.04 1.22 0.20 0.00 -1.33 0.00 0.00 58.87 59.00 1jf5 n SER 47 Cb 0.40 -1.62 1.09 0.00 -0.75 0.00 0.00 64.21 63.32 1jf5 n SER 47 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jf5 h PRO 48 N 2.92 0.00 0.00 -1.46 0.13 -2.00 -1.98 132.00 129.61 1jf5 h PRO 48 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jf5 h PRO 48 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jf5 h PRO 48 CO 0.64 0.00 -0.71 0.93 -0.23 0.00 0.00 178.00 178.63 1jf5 h GLU 49 N 0.00 0.00 -7.21 0.86 5.08 -2.02 -3.47 114.58 107.81 1jf5 h GLU 49 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1jf5 h GLU 49 Cb 0.04 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.41 1jf5 h GLU 49 CO 0.00 0.00 0.37 -1.21 -1.00 0.00 0.00 179.01 177.17 1jf5 s GLU 50 N -3.26 2.65 0.36 2.33 2.02 -0.75 -5.01 118.70 117.04 1jf5 s GLU 50 Ca 0.03 1.39 -0.25 0.00 0.02 0.00 0.00 54.97 56.17 1jf5 s GLU 50 Cb 0.11 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 1jf5 s GLU 50 CO 0.74 -1.37 1.01 -1.21 0.02 0.00 0.00 175.26 174.46 1jf5 s GLU 51 N -4.19 4.38 0.25 1.61 0.41 -1.26 -5.00 118.70 114.90 1jf5 s GLU 51 Ca 0.67 1.46 -0.19 0.00 -0.41 0.00 0.00 54.97 56.50 1jf5 s GLU 51 Cb -0.21 -2.70 -0.08 0.00 -1.78 0.00 0.00 34.13 29.36 1jf5 s GLU 51 CO 0.44 0.06 0.73 -0.51 -0.49 0.00 0.00 175.26 175.49 1jf5 s LEU 52 N -2.30 4.27 0.40 1.80 1.43 -1.26 -4.96 118.68 118.05 1jf5 s LEU 52 Ca 0.53 1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 54.80 1jf5 s LEU 52 Cb -0.21 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 1jf5 s LEU 52 CO 0.27 -0.03 0.96 0.00 0.23 0.00 0.00 176.35 177.78 1jf5 s ALA 53 N -1.65 3.08 0.06 4.21 0.00 0.41 -4.79 121.76 123.09 1jf5 s ALA 53 Ca 0.46 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1jf5 s ALA 53 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1jf5 s ALA 53 CO 0.20 0.08 0.02 -1.01 0.00 0.00 0.00 175.76 175.05 1jf5 s HIS 54 N -1.94 3.07 -0.13 0.00 0.09 -1.26 -1.04 115.29 114.08 1jf5 s HIS 54 Ca 0.58 0.04 -0.04 0.00 -0.00 0.00 0.00 55.06 55.64 1jf5 s HIS 54 Cb -0.14 -1.60 0.06 0.00 -0.00 0.00 0.00 32.58 30.91 1jf5 s HIS 54 CO 0.18 0.49 0.21 0.00 -0.00 0.00 0.00 174.74 175.62 1jf5 s ALA 55 N -1.26 -0.34 -0.17 -1.40 0.00 0.70 -4.99 121.76 114.29 1jf5 s ALA 55 Ca 0.25 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 1jf5 s ALA 55 Cb -0.12 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1jf5 s ALA 55 CO 0.17 -0.73 1.02 -1.17 0.00 0.00 0.00 175.76 175.05 1jf5 s LEU 56 N 2.35 4.17 -0.58 0.00 2.96 -1.26 -0.61 118.68 125.71 1jf5 s LEU 56 Ca 0.03 1.44 -0.19 0.00 -0.22 0.00 0.00 54.13 55.19 1jf5 s LEU 56 Cb -0.13 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.12 1jf5 s LEU 56 CO -0.08 -0.57 0.71 0.00 -1.32 0.00 0.00 176.35 175.09 1jf5 s ALA 57 N 2.66 3.38 0.68 5.97 0.00 -0.95 -4.67 121.76 128.83 1jf5 s ALA 57 Ca 0.46 -2.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.16 1jf5 s ALA 57 Cb -0.16 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1jf5 s ALA 57 CO 0.11 -2.32 1.12 0.20 0.00 0.00 0.00 175.76 174.87 1jf5 s GLY 58 N 3.46 2.13 -0.46 0.00 0.00 -0.08 -4.47 107.32 107.90 1jf5 s GLY 58 Ca 0.13 0.56 -0.28 0.00 0.00 0.00 0.00 44.72 45.12 1jf5 s GLY 58 CO 0.08 0.92 1.42 1.25 0.00 0.00 0.00 173.10 176.76 1jf5 s LYS 59 N -4.15 3.47 0.13 2.90 2.20 -1.26 -0.38 119.74 122.65 1jf5 s LYS 59 Ca 0.67 0.78 0.25 0.00 -0.36 0.00 0.00 55.97 57.31 1jf5 s LYS 59 Cb -0.21 -4.06 0.94 0.00 -1.51 0.00 0.00 37.83 32.99 1jf5 s LYS 59 CO 0.43 -1.71 1.76 0.00 -0.36 0.00 0.00 175.35 175.48 1jf5 n ALA 60 N 9.13 2.08 0.00 3.13 0.00 0.27 -4.92 120.51 130.20 1jf5 n ALA 60 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1jf5 n ALA 60 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1jf5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jf5 n GLY 61 N 0.91 0.21 3.51 0.00 0.00 -1.10 -4.87 105.19 103.84 1jf5 n GLY 61 Ca 0.05 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 1jf5 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jf5 s SER 62 N 0.00 -0.62 0.00 1.61 1.04 -1.26 0.96 113.70 115.43 1jf5 s SER 62 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1jf5 s SER 62 Cb 0.00 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1jf5 s SER 62 CO 0.00 -0.33 0.00 -0.90 0.98 0.00 0.00 173.24 172.99 1jf5 n ASP 63 N 2.16 0.59 -0.35 7.02 3.85 0.40 -4.77 116.55 125.45 1jf5 n ASP 63 Ca -0.16 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 53.99 1jf5 n ASP 63 Cb 0.56 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.57 1jf5 n ASP 63 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1jf5 h GLU 64 N 0.00 0.98 0.00 0.11 4.81 -1.94 -3.32 114.58 115.22 1jf5 h GLU 64 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jf5 h GLU 64 Cb 0.00 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1jf5 h GLU 64 CO 0.00 0.65 -0.62 0.54 -0.73 0.00 0.00 179.01 178.84 1jf5 n ARG 65 N -4.58 2.34 -4.53 1.92 1.74 -1.26 -4.97 116.66 107.32 1jf5 n ARG 65 Ca 0.18 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.01 1jf5 n ARG 65 Cb 0.32 -0.80 -0.11 0.00 -1.02 0.00 0.00 32.46 30.86 1jf5 n ARG 65 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jf5 s PHE 66 N -1.52 2.25 -0.02 -1.55 0.40 -1.25 -1.14 117.98 115.15 1jf5 s PHE 66 Ca 0.00 -0.79 0.08 0.00 -0.60 0.00 0.00 56.93 55.62 1jf5 s PHE 66 Cb 0.00 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1jf5 s PHE 66 CO 0.00 0.25 -0.26 -0.51 0.70 0.00 0.00 175.22 175.40 1jf5 s ASP 67 N -3.60 3.07 -0.16 1.36 -0.00 -0.48 -0.46 116.67 116.41 1jf5 s ASP 67 Ca 0.35 -0.47 0.01 0.00 -0.00 0.00 0.00 52.55 52.45 1jf5 s ASP 67 Cb 0.09 -0.34 0.02 0.00 -0.00 0.00 0.00 42.92 42.68 1jf5 s ASP 67 CO 0.17 0.32 -0.20 -0.31 -0.00 0.00 0.00 175.17 175.15 1jf5 s TYR 68 N -0.62 2.63 -0.08 4.23 1.51 0.27 -2.56 117.35 122.73 1jf5 s TYR 68 Ca 0.10 -1.46 -0.02 0.00 -1.01 0.00 0.00 57.07 54.68 1jf5 s TYR 68 Cb -0.10 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1jf5 s TYR 68 CO -0.01 -0.71 0.02 -0.06 -1.11 0.00 0.00 175.55 173.68 1jf5 s PHE 69 N 1.13 3.21 0.00 2.71 0.08 -0.15 0.95 117.98 125.90 1jf5 s PHE 69 Ca 0.00 0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.29 1jf5 s PHE 69 Cb -0.14 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1jf5 s PHE 69 CO -0.08 0.50 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.50 1jf5 s GLU 70 N -0.96 0.29 0.06 0.44 2.12 0.48 -1.43 118.70 119.70 1jf5 s GLU 70 Ca 0.14 -0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1jf5 s GLU 70 Cb -0.11 -0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.00 1jf5 s GLU 70 CO 0.03 0.07 0.06 0.00 -0.54 0.00 0.00 175.26 174.88 1jf5 s ALA 71 N -0.19 0.16 -0.18 6.30 0.00 -0.47 -0.90 121.76 126.48 1jf5 s ALA 71 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1jf5 s ALA 71 Cb -0.02 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1jf5 s ALA 71 CO -0.00 -0.39 -0.12 -1.17 0.00 0.00 0.00 175.76 174.08 1jf5 s LEU 72 N -2.69 2.61 -0.19 0.00 2.96 -1.26 -1.25 118.68 118.86 1jf5 s LEU 72 Ca 0.03 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 1jf5 s LEU 72 Cb 0.05 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1jf5 s LEU 72 CO -0.09 0.04 0.17 -0.76 -1.32 0.00 0.00 176.35 174.38 1jf5 s LEU 73 N 1.11 4.22 -0.54 -0.68 1.02 0.56 -4.94 118.68 119.43 1jf5 s LEU 73 Ca 0.01 0.29 -0.21 0.00 0.02 0.00 0.00 54.13 54.24 1jf5 s LEU 73 Cb -0.14 -2.15 0.06 0.00 0.02 0.00 0.00 46.19 43.97 1jf5 s LEU 73 CO -0.03 0.16 0.73 -1.61 0.02 0.00 0.00 176.35 175.62 1jf5 s GLU 74 N 0.37 3.16 -0.59 1.70 0.41 -1.26 -1.22 118.70 121.27 1jf5 s GLU 74 Ca 0.10 -0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1jf5 s GLU 74 Cb -0.11 -4.11 0.15 0.00 -1.78 0.00 0.00 34.13 28.27 1jf5 s GLU 74 CO -0.01 -1.36 0.38 0.00 -0.49 0.00 0.00 175.26 173.78 1jf5 h SER 76 N 6.83 0.00 0.55 0.00 4.64 -1.92 -2.25 113.55 121.41 1jf5 h SER 76 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jf5 h SER 76 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1jf5 h SER 76 CO 0.70 0.15 -0.29 0.35 -0.87 0.00 0.00 176.83 176.87 1jf5 n THR 77 N -3.79 0.00 -1.10 2.95 -2.24 -1.26 -4.91 114.28 103.92 1jf5 n THR 77 Ca -0.02 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1jf5 n THR 77 Cb 0.25 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1jf5 n THR 77 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jf5 n LYS 78 N -1.29 -1.16 -4.07 -0.78 5.02 -0.85 -4.95 118.16 110.09 1jf5 n LYS 78 Ca 0.08 0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 56.67 1jf5 n LYS 78 Cb 0.33 -4.45 -0.16 0.00 -0.02 0.00 0.00 35.03 30.72 1jf5 n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jf5 s ARG 79 N -1.74 0.58 -0.08 1.97 0.52 -1.26 -1.40 118.95 117.54 1jf5 s ARG 79 Ca 0.00 -0.03 -0.14 0.00 -0.52 0.00 0.00 55.73 55.04 1jf5 s ARG 79 Cb 0.00 -0.66 0.03 0.00 0.52 0.00 0.00 34.95 34.84 1jf5 s ARG 79 CO 0.00 -0.09 0.35 0.54 0.02 0.00 0.00 175.30 176.12 1jf5 s VAL 80 N 0.90 0.03 0.04 3.52 0.11 -1.20 -3.75 120.40 120.04 1jf5 s VAL 80 Ca -0.11 -0.21 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1jf5 s VAL 80 Cb -0.14 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1jf5 s VAL 80 CO -0.01 -0.11 -0.19 -1.59 -3.33 0.00 0.00 175.10 169.87 1jf5 s LYS 81 N -0.51 1.29 0.13 1.54 -2.85 -0.08 -1.35 119.74 117.91 1jf5 s LYS 81 Ca -0.06 -0.87 -0.19 0.00 -1.00 0.00 0.00 55.97 53.85 1jf5 s LYS 81 Cb -0.04 -1.37 0.05 0.00 -2.06 0.00 0.00 37.83 34.42 1jf5 s LYS 81 CO 0.02 0.35 0.49 1.52 0.10 0.00 0.00 175.35 177.83 1jf5 s TYR 82 N -0.77 -0.36 0.06 1.78 -0.85 0.43 -1.57 117.35 116.07 1jf5 s TYR 82 Ca 0.06 0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 1jf5 s TYR 82 Cb -0.08 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 1jf5 s TYR 82 CO 0.01 -0.76 -0.10 0.54 -1.52 0.00 0.00 175.55 173.73 1jf5 s VAL 83 N -3.66 0.80 0.01 -3.49 0.11 0.76 -0.35 120.40 114.57 1jf5 s VAL 83 Ca 0.01 -1.26 -0.07 0.00 -2.93 0.00 0.00 61.98 57.73 1jf5 s VAL 83 Cb 0.01 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1jf5 s VAL 83 CO -0.12 -0.36 0.28 -0.36 -3.33 0.00 0.00 175.10 171.21 1jf5 s PHE 84 N -1.55 3.59 -0.31 1.54 0.40 0.20 -1.61 117.98 120.24 1jf5 s PHE 84 Ca -0.04 0.61 0.02 0.00 -0.60 0.00 0.00 56.93 56.92 1jf5 s PHE 84 Cb -0.09 -2.02 0.08 0.00 0.51 0.00 0.00 43.02 41.51 1jf5 s PHE 84 CO 0.01 0.61 -0.00 -1.17 0.70 0.00 0.00 175.22 175.37 1jf5 s LEU 85 N -1.70 4.21 -0.12 -0.37 1.98 0.02 0.10 118.68 122.80 1jf5 s LEU 85 Ca 0.27 -1.74 -0.02 0.00 -2.89 0.00 0.00 54.13 49.75 1jf5 s LEU 85 Cb -0.13 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.06 1jf5 s LEU 85 CO 0.15 -0.31 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.50 1jf5 s LEU 86 N 1.05 3.25 -0.05 -0.68 1.43 0.32 -0.52 118.68 123.49 1jf5 s LEU 86 Ca 0.01 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1jf5 s LEU 86 Cb -0.20 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1jf5 s LEU 86 CO -0.06 0.26 -0.24 -0.89 0.23 0.00 0.00 176.35 175.66 1jf5 s THR 87 N -0.17 2.22 0.64 5.49 2.01 0.15 -1.49 115.64 124.49 1jf5 s THR 87 Ca 0.03 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1jf5 s THR 87 Cb -0.13 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.66 1jf5 s THR 87 CO 0.02 0.57 0.89 -0.83 -0.69 0.00 0.00 174.62 174.59 1jf5 s GLY 88 N -0.37 1.79 0.55 4.40 0.00 -0.66 0.11 107.32 113.14 1jf5 s GLY 88 Ca 0.03 -1.49 0.33 0.00 0.00 0.00 0.00 44.72 43.58 1jf5 s GLY 88 CO 0.02 -1.07 1.99 -2.55 0.00 0.00 0.00 173.10 171.49 1jf5 h PRO 89 N -0.25 0.00 -0.35 2.90 0.11 -1.87 0.66 132.00 133.19 1jf5 h PRO 89 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jf5 h PRO 89 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jf5 h PRO 89 CO 0.47 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.30 1jf5 n GLN 90 N -2.74 3.49 -0.78 1.05 3.00 -1.26 -4.97 117.38 115.17 1jf5 n GLN 90 Ca -0.02 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1jf5 n GLN 90 Cb 0.16 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 28.43 1jf5 n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jf5 n GLY 91 N -0.19 0.88 3.70 1.08 0.00 0.22 -4.98 105.19 105.90 1jf5 n GLY 91 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1jf5 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jf5 s GLU 92 N -0.24 4.34 0.13 1.61 1.03 -1.26 -4.75 118.70 119.56 1jf5 s GLU 92 Ca 0.00 1.93 0.04 0.00 0.03 0.00 0.00 54.97 56.97 1jf5 s GLU 92 Cb 0.00 -3.41 -0.04 0.00 -0.80 0.00 0.00 34.13 29.88 1jf5 s GLU 92 CO 0.00 -0.44 0.10 0.00 -1.33 0.00 0.00 175.26 173.59 1jf5 s ALA 93 N 1.62 3.54 -0.22 -0.84 0.00 -1.26 -1.66 121.76 122.94 1jf5 s ALA 93 Ca 0.62 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.19 1jf5 s ALA 93 Cb -0.32 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.50 1jf5 s ALA 93 CO 0.28 0.61 0.70 0.54 0.00 0.00 0.00 175.76 177.89 1jf5 s VAL 94 N -1.59 0.00 0.03 0.00 0.11 -0.56 -4.73 120.40 113.66 1jf5 s VAL 94 Ca 0.30 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.22 1jf5 s VAL 94 Cb -0.11 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.70 1jf5 s VAL 94 CO 0.22 -0.00 0.39 -0.31 -3.33 0.00 0.00 175.10 172.07 1jf5 s TYR 95 N 0.07 3.66 -0.16 1.54 1.51 0.10 -0.52 117.35 123.55 1jf5 s TYR 95 Ca -0.02 0.89 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1jf5 s TYR 95 Cb -0.04 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 1jf5 s TYR 95 CO 0.03 0.60 -0.19 0.12 -1.11 0.00 0.00 175.55 174.99 1jf5 s PHE 96 N -1.21 2.57 0.26 2.71 5.99 0.28 -2.58 117.98 126.01 1jf5 s PHE 96 Ca 0.27 -1.42 0.04 0.00 0.00 0.00 0.00 56.93 55.82 1jf5 s PHE 96 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 43.02 41.06 1jf5 s PHE 96 CO 0.15 -0.69 0.27 0.41 -0.00 0.00 0.00 175.22 175.35 1jf5 n GLY 97 N 4.43 2.93 0.26 13.12 0.00 -1.07 0.62 105.19 125.47 1jf5 n GLY 97 Ca -0.20 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.13 1jf5 n GLY 97 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jf5 h GLU 98 N 0.00 0.01 -0.05 1.61 4.81 -1.71 -2.36 114.58 116.89 1jf5 h GLU 98 Ca -0.19 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.88 1jf5 h GLU 98 Cb 0.94 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1jf5 h GLU 98 CO 0.27 0.01 -0.69 1.15 -0.73 0.00 0.00 179.01 179.03 1jf5 h THR 99 N 0.01 1.42 0.00 0.32 2.02 -1.67 -3.48 112.91 111.52 1jf5 h THR 99 Ca 0.00 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1jf5 h THR 99 Cb 0.01 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1jf5 h THR 99 CO 0.00 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.14 1jf5 n GLY 100 N 0.45 0.86 3.77 2.16 0.00 -0.89 -4.97 105.19 106.57 1jf5 n GLY 100 Ca -0.03 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 1jf5 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jf5 s PHE 101 N -3.45 3.25 -0.10 1.61 0.40 -1.26 -2.60 117.98 115.83 1jf5 s PHE 101 Ca 0.00 0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 1jf5 s PHE 101 Cb 0.00 -1.71 0.11 0.00 0.51 0.00 0.00 43.02 41.93 1jf5 s PHE 101 CO 0.00 0.54 0.89 0.45 0.70 0.00 0.00 175.22 177.80 1jf5 s SER 102 N -1.82 -0.44 0.41 1.36 0.15 -1.07 -4.86 113.70 107.43 1jf5 s SER 102 Ca 0.24 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.55 1jf5 s SER 102 Cb -0.12 0.38 0.87 0.00 -1.71 0.00 0.00 66.02 65.44 1jf5 s SER 102 CO 0.15 -0.48 1.78 0.00 1.20 0.00 0.00 173.24 175.89 1jf5 h ALA 103 N 2.54 1.00 -3.13 5.45 0.00 -1.87 0.31 119.26 123.56 1jf5 h ALA 103 Ca -0.22 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1jf5 h ALA 103 Cb 1.18 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1jf5 h ALA 103 CO 0.33 0.00 -0.40 -1.21 0.00 0.00 0.00 179.25 177.97 1jf5 s GLU 104 N -3.37 4.17 0.10 0.00 2.02 -1.26 -4.70 118.70 115.66 1jf5 s GLU 104 Ca 0.05 -0.04 -0.28 0.00 0.02 0.00 0.00 54.97 54.72 1jf5 s GLU 104 Cb 0.08 -3.40 -0.12 0.00 0.10 0.00 0.00 34.13 30.79 1jf5 s GLU 104 CO 0.57 0.31 1.65 -0.09 0.02 0.00 0.00 175.26 177.72 1jf5 h ARG 105 N 6.51 -0.51 -0.64 1.61 2.43 -1.96 -2.90 114.38 118.93 1jf5 h ARG 105 Ca -0.42 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 58.88 1jf5 h ARG 105 Cb 1.16 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.75 1jf5 h ARG 105 CO 0.74 -0.34 0.24 0.66 -1.51 0.00 0.00 179.97 179.77 1jf5 h SER 106 N -0.53 0.24 0.49 -3.80 4.64 -1.95 -1.43 113.55 111.21 1jf5 h SER 106 Ca -0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jf5 h SER 106 Cb 0.48 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1jf5 h SER 106 CO -0.05 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1jf5 n LYS 107 N -4.99 0.05 0.21 4.77 5.02 -1.11 -2.09 118.16 120.02 1jf5 n LYS 107 Ca 0.10 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1jf5 n LYS 107 Cb 0.29 -1.61 0.20 0.00 -0.02 0.00 0.00 35.03 33.90 1jf5 n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jf5 h ALA 108 N 2.38 0.94 0.00 7.82 0.00 -1.11 -3.42 119.26 125.87 1jf5 h ALA 108 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jf5 h ALA 108 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jf5 h ALA 108 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1jf5 n GLY 109 N 0.99 -2.16 3.01 0.00 0.00 -0.89 -1.88 105.19 104.25 1jf5 n GLY 109 Ca 0.03 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 1jf5 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jf5 s VAL 110 N -0.29 -0.02 0.53 1.61 0.11 -1.26 -4.38 120.40 116.70 1jf5 s VAL 110 Ca 0.00 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1jf5 s VAL 110 Cb 0.00 -0.24 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 1jf5 s VAL 110 CO 0.00 0.02 1.00 -0.36 -3.33 0.00 0.00 175.10 172.44 1jf5 s PHE 111 N 0.44 3.30 -0.03 1.54 0.40 0.53 -4.16 117.98 120.00 1jf5 s PHE 111 Ca -0.03 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 1jf5 s PHE 111 Cb -0.04 -2.87 0.03 0.00 0.51 0.00 0.00 43.02 40.65 1jf5 s PHE 111 CO -0.02 -0.57 0.01 -0.65 0.70 0.00 0.00 175.22 174.69 1jf5 s GLN 112 N -3.96 0.15 -0.71 0.44 -0.21 -1.26 -0.43 119.66 113.67 1jf5 s GLN 112 Ca 0.61 0.12 -0.03 0.00 0.02 0.00 0.00 55.36 56.09 1jf5 s GLN 112 Cb -0.12 -0.38 0.18 0.00 1.00 0.00 0.00 33.01 33.69 1jf5 s GLN 112 CO 0.31 -0.15 0.55 -0.47 -2.12 0.00 0.00 175.29 173.41 1jf5 s TYR 113 N 1.04 3.55 0.15 0.91 5.04 -0.46 -4.85 117.35 122.74 1jf5 s TYR 113 Ca -0.10 -2.81 -0.08 0.00 -2.44 0.00 0.00 57.07 51.64 1jf5 s TYR 113 Cb -0.13 -3.21 0.20 0.00 0.35 0.00 0.00 41.96 39.17 1jf5 s TYR 113 CO -0.02 -0.80 0.95 0.00 -1.34 0.00 0.00 175.55 174.34 1jf5 n ALA 114 N 3.09 0.02 -3.57 3.97 0.00 -1.26 -3.23 120.51 119.52 1jf5 n ALA 114 Ca 0.13 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 54.07 1jf5 n ALA 114 Cb 0.38 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1jf5 n ALA 114 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1jf5 s TYR 115 N -5.66 -0.51 -0.34 0.00 6.14 -1.26 -4.53 117.35 111.18 1jf5 s TYR 115 Ca -0.09 0.97 -0.03 0.00 0.64 0.00 0.00 57.07 58.56 1jf5 s TYR 115 Cb 0.14 0.41 0.07 0.00 0.42 0.00 0.00 41.96 43.00 1jf5 s TYR 115 CO 0.45 -0.42 0.09 0.42 0.64 0.00 0.00 175.55 176.74 1jf5 s ILE 116 N -0.85 3.28 0.11 3.14 1.01 -0.49 -5.01 121.20 122.38 1jf5 s ILE 116 Ca -0.04 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 58.95 1jf5 s ILE 116 Cb -0.01 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1jf5 s ILE 116 CO 0.03 -0.31 0.46 -1.00 0.00 0.00 0.00 174.94 174.12 1jf5 s HIS 117 N 1.25 3.59 0.45 3.97 3.76 -1.26 -4.96 115.29 122.09 1jf5 s HIS 117 Ca -0.00 0.89 0.12 0.00 -0.15 0.00 0.00 55.06 55.92 1jf5 s HIS 117 Cb -0.21 -2.24 1.01 0.00 1.11 0.00 0.00 32.58 32.25 1jf5 s HIS 117 CO -0.01 0.48 2.04 0.07 -0.85 0.00 0.00 174.74 176.47 1jf5 h ARG 118 N 3.64 0.18 0.00 1.40 0.11 -1.96 -1.20 114.38 116.55 1jf5 h ARG 118 Ca -0.49 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1jf5 h ARG 118 Cb 1.19 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1jf5 h ARG 118 CO 0.66 0.21 0.00 0.66 0.10 0.00 0.00 179.97 181.60 1jf5 h SER 119 N 0.18 0.00 -0.53 0.08 4.64 -2.03 -2.77 113.55 113.12 1jf5 h SER 119 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1jf5 h SER 119 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1jf5 h SER 119 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1jf5 n GLU 120 N -2.64 2.57 -2.83 4.77 1.02 -0.45 -4.89 120.64 118.19 1jf5 n GLU 120 Ca 0.00 -2.40 -0.42 0.00 -0.02 0.00 0.00 57.16 54.32 1jf5 n GLU 120 Cb 0.20 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1jf5 n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jf5 s VAL 121 N -1.31 4.73 -0.19 2.62 1.01 -1.05 -4.90 120.40 121.31 1jf5 s VAL 121 Ca 0.43 1.51 -0.35 0.00 0.00 0.00 0.00 61.98 63.57 1jf5 s VAL 121 Cb 0.24 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 1jf5 s VAL 121 CO 0.32 -0.24 1.94 0.33 0.00 0.00 0.00 175.10 177.45 1jf5 n PHE 122 N 6.31 2.12 -4.14 5.22 -0.00 -1.26 -4.95 117.46 120.76 1jf5 n PHE 122 Ca 0.07 0.14 -0.29 0.00 -0.00 0.00 0.00 57.45 57.37 1jf5 n PHE 122 Cb 0.47 -2.61 -0.17 0.00 -0.00 0.00 0.00 39.48 37.18 1jf5 n PHE 122 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1jf5 s THR 123 N 4.90 1.39 0.24 -2.13 2.01 -1.26 -4.96 115.64 115.83 1jf5 s THR 123 Ca 0.98 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 62.55 1jf5 s THR 123 Cb -0.77 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1jf5 s THR 123 CO 0.53 0.43 -0.20 0.42 -0.69 0.00 0.00 174.62 175.11 1jf5 s THR 124 N 1.36 2.53 0.10 -0.82 -4.23 -1.26 -5.05 115.64 108.26 1jf5 s THR 124 Ca 0.01 -2.20 -0.35 0.00 -1.18 0.00 0.00 61.69 57.96 1jf5 s THR 124 Cb -0.13 -2.28 -0.15 0.00 1.34 0.00 0.00 72.50 71.27 1jf5 s THR 124 CO -0.07 -0.28 1.49 -2.65 -0.54 0.00 0.00 174.62 172.58 1jf5 n PRO 125 N -0.27 1.67 -0.33 3.99 -0.02 -1.26 -4.89 135.00 133.90 1jf5 n PRO 125 Ca -0.08 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1jf5 n PRO 125 Cb 0.58 -2.32 0.15 0.00 -0.02 0.00 0.00 33.50 31.90 1jf5 n PRO 125 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jf5 h GLU 126 N 5.52 0.99 0.00 -0.52 4.39 -1.93 -1.48 114.58 121.55 1jf5 h GLU 126 Ca -0.46 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.15 1jf5 h GLU 126 Cb 1.29 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1jf5 h GLU 126 CO 0.84 0.65 -0.13 0.11 -1.16 0.00 0.00 179.01 179.33 1jf5 h TRP 127 N 1.02 0.00 0.00 4.33 5.08 -1.94 -2.53 115.95 121.91 1jf5 h TRP 127 Ca 0.39 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.29 1jf5 h TRP 127 Cb 0.18 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.33 1jf5 h TRP 127 CO -0.03 0.13 -0.33 0.00 -1.28 0.00 0.00 178.44 176.94 1jf5 h ALA 128 N 1.87 0.98 0.00 0.11 0.00 -1.63 -3.03 119.26 117.56 1jf5 h ALA 128 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1jf5 h ALA 128 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jf5 h ALA 128 CO 0.02 0.41 -0.31 0.87 0.00 0.00 0.00 179.25 180.24 1jf5 h LYS 129 N 0.00 0.00 -0.88 0.00 1.57 -1.39 -3.18 116.57 112.69 1jf5 h LYS 129 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1jf5 h LYS 129 Cb 0.88 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.77 1jf5 h LYS 129 CO 0.04 0.31 -0.92 -0.85 -0.57 0.00 0.00 179.45 177.46 1jf5 n GLU 130 N -4.14 2.84 -3.74 3.15 0.28 -1.20 -4.59 120.64 113.24 1jf5 n GLU 130 Ca -0.02 -3.98 -0.20 0.00 -0.16 0.00 0.00 57.16 52.79 1jf5 n GLU 130 Cb 0.35 -1.99 -0.02 0.00 1.43 0.00 0.00 31.44 31.21 1jf5 n GLU 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jf5 s ALA 131 N -3.57 3.95 -0.15 -1.84 0.00 -1.15 -5.00 121.76 114.00 1jf5 s ALA 131 Ca 0.42 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1jf5 s ALA 131 Cb 0.39 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 22.17 1jf5 s ALA 131 CO -0.03 0.04 0.06 0.08 0.00 0.00 0.00 175.76 175.90 1jf5 s VAL 132 N -2.22 0.19 -0.08 0.00 1.01 -1.26 -4.31 120.40 113.73 1jf5 s VAL 132 Ca 0.41 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1jf5 s VAL 132 Cb -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1jf5 s VAL 132 CO 0.28 -0.15 0.16 -0.63 0.00 0.00 0.00 175.10 174.76 1jf5 s ILE 133 N 2.02 5.47 -0.27 2.22 1.01 -0.46 -1.84 121.20 129.35 1jf5 s ILE 133 Ca 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1jf5 s ILE 133 Cb -0.16 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1jf5 s ILE 133 CO -0.08 0.52 -0.02 -0.47 0.00 0.00 0.00 174.94 174.90 1jf5 s TYR 134 N -1.13 3.14 -0.21 3.97 5.04 -0.99 0.24 117.35 127.41 1jf5 s TYR 134 Ca 0.19 -1.58 -0.29 0.00 -2.44 0.00 0.00 57.07 52.95 1jf5 s TYR 134 Cb -0.12 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1jf5 s TYR 134 CO 0.09 -0.73 1.12 -1.14 -1.34 0.00 0.00 175.55 173.54 1jf5 s GLN 135 N 1.33 4.24 -0.17 4.97 0.74 0.64 -1.67 119.66 129.74 1jf5 s GLN 135 Ca -0.01 1.45 -0.07 0.00 0.05 0.00 0.00 55.36 56.77 1jf5 s GLN 135 Cb -0.18 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 1jf5 s GLN 135 CO -0.02 -0.67 0.06 0.42 -0.55 0.00 0.00 175.29 174.53 1jf5 s ILE 136 N 3.33 4.80 -0.65 -2.34 -1.09 0.37 -2.53 121.20 123.09 1jf5 s ILE 136 Ca 0.48 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.76 1jf5 s ILE 136 Cb -0.17 -3.15 0.17 0.00 -1.58 0.00 0.00 42.46 37.73 1jf5 s ILE 136 CO 0.09 0.48 0.55 0.12 -1.23 0.00 0.00 174.94 174.95 1jf5 s PHE 137 N 0.18 3.53 0.12 3.97 5.99 -1.26 -3.14 117.98 127.38 1jf5 s PHE 137 Ca 0.05 -2.05 -0.19 0.00 0.00 0.00 0.00 56.93 54.73 1jf5 s PHE 137 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 43.02 39.32 1jf5 s PHE 137 CO 0.00 -0.96 1.08 -0.35 -0.00 0.00 0.00 175.22 174.99 1jf5 n PRO 138 N 4.25 -0.27 0.23 10.12 -0.04 -1.26 0.03 135.00 148.05 1jf5 n PRO 138 Ca 0.03 1.06 0.15 0.00 -0.04 0.00 0.00 63.50 64.70 1jf5 n PRO 138 Cb 0.42 -1.56 0.82 0.00 -0.04 0.00 0.00 33.50 33.14 1jf5 n PRO 138 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1jf5 h GLU 139 N 0.00 0.00 0.00 0.54 4.22 -1.94 -3.06 114.58 114.34 1jf5 h GLU 139 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1jf5 h GLU 139 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jf5 h GLU 139 CO -0.66 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.71 1jf5 n ARG 140 N -2.56 1.76 -0.07 1.92 3.00 0.10 -2.20 116.66 118.63 1jf5 n ARG 140 Ca -0.02 -1.10 -0.08 0.00 -0.01 0.00 0.00 57.85 56.64 1jf5 n ARG 140 Cb 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 32.46 31.59 1jf5 n ARG 140 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1jf5 h PHE 141 N 0.00 0.00 -1.99 -1.55 3.04 -1.30 -1.56 116.94 113.58 1jf5 h PHE 141 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jf5 h PHE 141 Cb 0.56 0.00 -0.21 0.00 2.56 0.00 0.00 35.95 38.86 1jf5 h PHE 141 CO 0.00 0.47 0.07 0.00 -2.02 0.00 0.00 178.31 176.83 1jf5 s ALA 142 N -2.48 -1.85 -0.64 2.41 0.00 -1.26 -4.34 121.76 113.60 1jf5 s ALA 142 Ca -0.12 2.28 -0.11 0.00 0.00 0.00 0.00 51.96 54.00 1jf5 s ALA 142 Cb 0.00 -1.34 0.16 0.00 0.00 0.00 0.00 23.12 21.95 1jf5 s ALA 142 CO 0.31 -0.36 0.54 1.21 0.00 0.00 0.00 175.76 177.45 1jf5 s ASN 143 N 1.16 6.10 0.17 0.00 2.47 -1.26 -1.40 114.94 122.19 1jf5 s ASN 143 Ca -0.06 -2.31 0.24 0.00 0.42 0.00 0.00 52.86 51.14 1jf5 s ASN 143 Cb -0.05 -2.10 0.29 0.00 -1.45 0.00 0.00 41.25 37.94 1jf5 s ASN 143 CO -0.12 -0.63 1.31 1.23 -3.72 0.00 0.00 177.10 175.16 1jf5 h GLY 144 N 8.08 0.00 -7.11 1.21 0.00 -1.82 -3.44 103.07 100.00 1jf5 h GLY 144 Ca -0.09 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.65 1jf5 h GLY 144 CO 0.84 0.00 -0.76 -0.35 0.00 0.00 0.00 176.54 176.27 1jf5 s ASP 145 N -4.69 3.93 0.52 0.19 2.15 -1.26 -4.81 116.67 112.70 1jf5 s ASP 145 Ca 0.05 -1.86 0.27 0.00 0.43 0.00 0.00 52.55 51.44 1jf5 s ASP 145 Cb 0.12 -0.89 1.45 0.00 -0.30 0.00 0.00 42.92 43.30 1jf5 s ASP 145 CO 0.72 -0.38 2.08 -0.65 -0.17 0.00 0.00 175.17 176.77 1jf5 h PRO 146 N 7.78 0.00 0.00 4.34 0.11 -1.91 -3.00 132.00 139.31 1jf5 h PRO 146 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1jf5 h PRO 146 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jf5 h PRO 146 CO 0.47 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1jf5 h SER 147 N 0.00 0.00 -0.45 -2.05 4.64 -1.99 -3.02 113.55 110.68 1jf5 h SER 147 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jf5 h SER 147 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1jf5 h SER 147 CO 0.01 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.51 1jf5 n ASN 148 N -2.98 3.45 -4.75 4.97 0.23 -1.13 -4.98 115.26 110.06 1jf5 n ASN 148 Ca 0.02 -1.96 -0.38 0.00 -0.53 0.00 0.00 54.58 51.72 1jf5 n ASN 148 Cb 0.35 -0.30 0.04 0.00 -2.08 0.00 0.00 39.78 37.80 1jf5 n ASN 148 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1jf5 s ASP 149 N -1.26 5.24 0.59 0.53 -0.00 -1.14 -4.25 116.67 116.38 1jf5 s ASP 149 Ca 0.38 2.74 -0.17 0.00 -0.00 0.00 0.00 52.55 55.51 1jf5 s ASP 149 Cb 0.21 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.46 1jf5 s ASP 149 CO 0.29 -1.59 1.08 -2.84 -0.00 0.00 0.00 175.17 172.12 1jf5 s PRO 150 N -2.94 3.24 0.33 8.23 0.02 -1.26 -4.95 135.00 137.67 1jf5 s PRO 150 Ca 0.72 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 1jf5 s PRO 150 Cb -0.40 -2.01 -0.12 0.00 0.02 0.00 0.00 34.50 31.99 1jf5 s PRO 150 CO 0.47 -0.90 1.44 -2.30 -0.33 0.00 0.00 177.00 175.39 1jf5 n PRO 151 N -1.88 2.44 -0.83 5.54 -0.02 -1.26 -2.42 135.00 136.56 1jf5 n PRO 151 Ca 0.10 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1jf5 n PRO 151 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1jf5 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jf5 n GLY 152 N 1.17 0.50 3.77 -1.23 0.00 -1.26 -5.02 105.19 103.12 1jf5 n GLY 152 Ca 0.05 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1jf5 n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf5 s THR 153 N -2.00 2.12 0.45 2.61 2.01 -1.02 -4.77 115.64 115.05 1jf5 s THR 153 Ca 0.00 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1jf5 s THR 153 Cb 0.00 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1jf5 s THR 153 CO 0.00 0.03 0.69 -1.61 -0.69 0.00 0.00 174.62 173.04 1jf5 s GLU 154 N -1.81 3.22 0.35 4.92 2.02 -0.82 -4.99 118.70 121.60 1jf5 s GLU 154 Ca 0.54 -0.27 -0.28 0.00 0.02 0.00 0.00 54.97 54.98 1jf5 s GLU 154 Cb -0.46 -2.51 -0.11 0.00 0.10 0.00 0.00 34.13 31.15 1jf5 s GLU 154 CO 0.60 -0.23 1.39 -0.65 0.02 0.00 0.00 175.26 176.39 1jf5 s GLN 155 N -4.59 4.23 -0.81 1.61 -1.52 -1.26 -4.72 119.66 112.60 1jf5 s GLN 155 Ca 0.47 2.38 -0.21 0.00 -1.95 0.00 0.00 55.36 56.05 1jf5 s GLN 155 Cb -0.10 -3.02 0.10 0.00 -0.22 0.00 0.00 33.01 29.77 1jf5 s GLN 155 CO 0.40 -0.35 1.06 -0.46 -0.25 0.00 0.00 175.29 175.68 1jf5 s TRP 156 N -1.13 2.89 0.06 0.91 -0.11 -1.26 -4.90 118.94 115.39 1jf5 s TRP 156 Ca 0.51 -0.99 0.00 0.00 1.22 0.00 0.00 56.10 56.84 1jf5 s TRP 156 Cb -0.43 -4.30 -0.04 0.00 -1.50 0.00 0.00 33.47 27.21 1jf5 s TRP 156 CO 0.58 -1.58 -0.04 0.00 -4.62 0.00 0.00 176.95 171.29 1jf5 s ALA 157 N 3.40 0.57 0.23 5.86 0.00 -1.26 -5.05 121.76 125.51 1jf5 s ALA 157 Ca 0.28 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1jf5 s ALA 157 Cb -0.10 0.20 0.26 0.00 0.00 0.00 0.00 23.12 23.47 1jf5 s ALA 157 CO -0.01 -0.26 1.88 -0.22 0.00 0.00 0.00 175.76 177.15 1jf5 h LYS 158 N 3.49 1.04 0.00 0.00 3.64 -1.94 -0.40 116.57 122.40 1jf5 h LYS 158 Ca -0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1jf5 h LYS 158 Cb 1.16 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1jf5 h LYS 158 CO 0.59 0.69 0.00 -0.40 -2.27 0.00 0.00 179.45 178.06 1jf5 n ASP 159 N -4.55 0.00 -4.75 4.20 5.68 -1.26 -4.81 116.55 111.06 1jf5 n ASP 159 Ca 0.10 0.04 -0.41 0.00 -0.50 0.00 0.00 54.79 54.03 1jf5 n ASP 159 Cb 0.09 -0.27 -0.02 0.00 -1.14 0.00 0.00 41.12 39.78 1jf5 n ASP 159 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jf5 s ALA 160 N -2.53 3.68 -0.46 2.12 0.00 -0.16 -4.97 121.76 119.44 1jf5 s ALA 160 Ca 0.14 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1jf5 s ALA 160 Cb 0.10 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1jf5 s ALA 160 CO 0.22 -0.87 0.23 1.03 0.00 0.00 0.00 175.76 176.37 1jf5 s ARG 161 N -0.56 1.50 0.49 0.00 1.81 -1.26 -4.84 118.95 116.09 1jf5 s ARG 161 Ca 0.60 -2.17 -0.20 0.00 -1.72 0.00 0.00 55.73 52.25 1jf5 s ARG 161 Cb -0.45 -2.67 -0.12 0.00 -0.45 0.00 0.00 34.95 31.26 1jf5 s ARG 161 CO 0.47 -1.13 0.35 -2.30 -0.68 0.00 0.00 175.30 172.00 1jf5 n PRO 162 N 3.47 0.37 -4.47 3.54 -0.02 -1.26 -5.05 135.00 131.59 1jf5 n PRO 162 Ca 0.07 0.14 -0.23 0.00 -2.02 0.00 0.00 63.50 61.46 1jf5 n PRO 162 Cb 0.34 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 1jf5 n PRO 162 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jf5 s ARG 163 N -1.57 1.65 0.48 -0.52 0.52 -1.26 -4.59 118.95 113.65 1jf5 s ARG 163 Ca 0.63 -1.85 0.30 0.00 -0.52 0.00 0.00 55.73 54.30 1jf5 s ARG 163 Cb -0.53 -1.32 1.39 0.00 0.52 0.00 0.00 34.95 35.01 1jf5 s ARG 163 CO 0.59 0.06 1.76 0.45 0.02 0.00 0.00 175.30 178.17 1jf5 h HIS 164 N 2.18 0.30 -0.45 -0.53 3.86 -1.96 -0.20 115.15 118.34 1jf5 h HIS 164 Ca -0.41 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1jf5 h HIS 164 Cb 1.24 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1jf5 h HIS 164 CO 0.70 -0.01 0.00 -0.40 0.86 0.00 0.00 177.93 179.09 1jf5 n ASP 165 N -4.39 3.91 -4.73 2.45 5.75 -1.26 -5.01 116.55 113.27 1jf5 n ASP 165 Ca 0.28 -2.42 -0.32 0.00 -0.01 0.00 0.00 54.79 52.32 1jf5 n ASP 165 Cb 1.19 -0.45 0.11 0.00 -1.03 0.00 0.00 41.12 40.93 1jf5 n ASP 165 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1jf5 s SER 166 N -1.20 4.06 -0.03 -1.12 0.01 -0.09 -5.06 113.70 110.26 1jf5 s SER 166 Ca 0.40 2.07 -0.09 0.00 1.31 0.00 0.00 55.95 59.64 1jf5 s SER 166 Cb 0.26 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1jf5 s SER 166 CO 0.18 -2.34 0.19 -0.36 0.41 0.00 0.00 173.24 171.32 1jf5 s PHE 167 N -2.55 -0.09 0.00 2.43 2.99 -1.26 -4.95 117.98 114.55 1jf5 s PHE 167 Ca 0.66 0.17 0.00 0.00 0.00 0.00 0.00 56.93 57.76 1jf5 s PHE 167 Cb -0.22 0.02 0.00 0.00 0.00 0.00 0.00 43.02 42.82 1jf5 s PHE 167 CO 0.52 -0.24 0.00 0.66 -0.00 0.00 0.00 175.22 176.16 1jf5 n TYR 168 N 1.94 0.00 -0.80 0.36 4.01 -1.26 -1.94 117.16 119.46 1jf5 n TYR 168 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1jf5 n TYR 168 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1jf5 n TYR 168 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jf5 n GLY 169 N 0.04 0.55 3.73 2.72 0.00 -1.26 -4.87 105.19 106.10 1jf5 n GLY 169 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1jf5 n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 170 N -2.80 0.79 3.71 -0.02 0.00 -0.93 -4.41 105.19 101.52 1jf5 n GLY 170 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1jf5 n GLY 170 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jf5 s ASP 171 N -0.44 -0.06 0.33 1.61 1.47 -0.49 -4.05 116.67 115.03 1jf5 s ASP 171 Ca 0.60 -0.89 0.03 0.00 1.18 0.00 0.00 52.55 53.47 1jf5 s ASP 171 Cb -0.49 0.68 0.62 0.00 -0.34 0.00 0.00 42.92 43.39 1jf5 s ASP 171 CO 0.59 -1.30 1.94 -0.07 0.68 0.00 0.00 175.17 177.01 1jf5 h LEU 172 N 2.12 0.79 -1.15 2.11 3.38 -1.59 -0.54 115.31 120.43 1jf5 h LEU 172 Ca -0.24 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1jf5 h LEU 172 Cb 1.25 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1jf5 h LEU 172 CO 0.32 0.52 0.58 0.50 0.09 0.00 0.00 178.44 180.45 1jf5 h LYS 173 N 0.91 1.10 -0.30 1.13 1.63 -1.89 -1.95 116.57 117.20 1jf5 h LYS 173 Ca 0.34 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 1jf5 h LYS 173 Cb 0.18 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1jf5 h LYS 173 CO -0.12 0.73 0.16 0.78 -3.45 0.00 0.00 179.45 177.55 1jf5 h GLY 174 N 1.13 0.45 0.58 5.01 0.00 -1.16 -1.20 103.07 107.87 1jf5 h GLY 174 Ca 0.34 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1jf5 h GLY 174 CO -0.10 0.20 0.50 -2.08 0.00 0.00 0.00 176.54 175.06 1jf5 h VAL 175 N 0.36 0.95 -0.08 4.60 2.07 -1.25 -0.97 116.25 121.94 1jf5 h VAL 175 Ca 0.10 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1jf5 h VAL 175 Cb 0.08 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1jf5 h VAL 175 CO -0.02 0.16 0.05 0.40 0.02 0.00 0.00 177.57 178.18 1jf5 h ILE 176 N 0.85 1.01 -0.06 4.57 2.04 -0.76 -0.92 117.51 124.25 1jf5 h ILE 176 Ca 0.40 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.24 1jf5 h ILE 176 Cb 0.32 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1jf5 h ILE 176 CO -0.23 0.02 0.05 0.44 0.00 0.00 0.00 178.15 178.43 1jf5 h ASP 177 N 0.10 0.00 -0.37 1.72 3.32 -0.02 -1.64 116.42 119.54 1jf5 h ASP 177 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1jf5 h ASP 177 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1jf5 h ASP 177 CO -0.01 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.05 1jf5 n ARG 178 N -4.09 2.49 -0.17 3.56 5.12 -0.59 -4.50 116.66 118.48 1jf5 n ARG 178 Ca -0.02 -2.25 0.23 0.00 -1.93 0.00 0.00 57.85 53.88 1jf5 n ARG 178 Cb 0.15 -1.51 0.63 0.00 -1.16 0.00 0.00 32.46 30.57 1jf5 n ARG 178 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jf5 h LEU 179 N 4.47 0.17 -0.97 0.55 3.38 -0.17 0.81 115.31 123.55 1jf5 h LEU 179 Ca 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1jf5 h LEU 179 Cb 0.98 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1jf5 h LEU 179 CO 0.00 0.07 0.23 -0.65 0.09 0.00 0.00 178.44 178.18 1jf5 h PRO 180 N 0.17 0.98 0.27 1.13 0.11 -1.81 -0.17 132.00 132.68 1jf5 h PRO 180 Ca 0.41 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1jf5 h PRO 180 Cb 1.35 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jf5 h PRO 180 CO -0.07 0.82 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.49 1jf5 h TYR 181 N 0.95 -0.33 -0.80 0.65 3.20 -1.17 -0.49 116.97 118.98 1jf5 h TYR 181 Ca 0.22 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1jf5 h TYR 181 Cb 0.23 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1jf5 h TYR 181 CO 0.02 -0.18 0.52 -0.07 -1.64 0.00 0.00 178.16 176.80 1jf5 h LEU 182 N -0.39 0.87 -0.76 2.82 -0.00 -1.22 -0.72 115.31 115.90 1jf5 h LEU 182 Ca -0.04 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1jf5 h LEU 182 Cb 0.30 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 1jf5 h LEU 182 CO 0.06 0.61 0.50 -0.08 -0.00 0.00 0.00 178.44 179.53 1jf5 h GLU 183 N 1.02 0.97 -0.80 1.13 4.81 -0.71 -0.94 114.58 120.06 1jf5 h GLU 183 Ca 0.31 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1jf5 h GLU 183 Cb -0.03 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 1jf5 h GLU 183 CO -0.10 0.64 0.40 1.49 -0.73 0.00 0.00 179.01 180.72 1jf5 h GLU 184 N 1.00 1.15 -0.92 1.92 4.81 0.03 -2.09 114.58 120.47 1jf5 h GLU 184 Ca 0.29 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jf5 h GLU 184 Cb -0.06 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 1jf5 h GLU 184 CO -0.08 0.88 0.57 1.25 -0.73 0.00 0.00 179.01 180.90 1jf5 h LEU 185 N 1.13 1.08 0.00 1.64 5.85 -0.62 -3.47 115.31 120.91 1jf5 h LEU 185 Ca 0.28 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1jf5 h LEU 185 Cb 0.09 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1jf5 h LEU 185 CO -0.04 0.81 0.00 0.61 -0.34 0.00 0.00 178.44 179.48 1jf5 n GLY 186 N -1.31 1.22 3.76 3.75 0.00 -0.41 -4.51 105.19 107.69 1jf5 n GLY 186 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1jf5 n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jf5 s VAL 187 N -2.00 2.83 -0.36 1.61 -7.23 -1.18 -4.85 120.40 109.21 1jf5 s VAL 187 Ca 0.00 0.57 0.03 0.00 -1.81 0.00 0.00 61.98 60.77 1jf5 s VAL 187 Cb 0.00 -3.26 0.06 0.00 0.56 0.00 0.00 36.38 33.74 1jf5 s VAL 187 CO 0.00 -0.06 0.84 0.35 -0.31 0.00 0.00 175.10 175.92 1jf5 n THR 188 N -1.07 0.49 -3.54 5.32 -2.24 -0.77 -4.69 114.28 107.79 1jf5 n THR 188 Ca 0.11 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1jf5 n THR 188 Cb 0.49 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1jf5 n THR 188 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jf5 s ALA 189 N -0.64 -1.86 -0.04 6.98 0.00 -1.25 -0.75 121.76 124.20 1jf5 s ALA 189 Ca 0.06 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1jf5 s ALA 189 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1jf5 s ALA 189 CO 0.05 -0.47 -0.21 -0.51 0.00 0.00 0.00 175.76 174.62 1jf5 s LEU 190 N -1.66 2.00 -0.19 0.00 1.43 -0.11 -2.35 118.68 117.80 1jf5 s LEU 190 Ca -0.01 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1jf5 s LEU 190 Cb -0.01 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1jf5 s LEU 190 CO -0.01 0.21 -0.03 -0.47 0.23 0.00 0.00 176.35 176.28 1jf5 s TYR 191 N -0.14 2.99 -0.12 0.29 5.04 -0.67 -1.17 117.35 123.57 1jf5 s TYR 191 Ca -0.01 -0.60 -0.03 0.00 -2.44 0.00 0.00 57.07 53.99 1jf5 s TYR 191 Cb -0.12 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.11 1jf5 s TYR 191 CO 0.02 -0.30 0.01 -0.06 -1.34 0.00 0.00 175.55 173.88 1jf5 s PHE 192 N 1.00 3.17 0.10 4.97 0.08 -0.61 0.14 117.98 126.83 1jf5 s PHE 192 Ca 0.01 0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 1jf5 s PHE 192 Cb -0.15 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1jf5 s PHE 192 CO 0.01 0.34 0.10 0.25 -0.10 0.00 0.00 175.22 175.81 1jf5 n THR 193 N 2.62 0.00 -1.75 0.64 -2.24 -1.19 -2.82 114.28 109.55 1jf5 n THR 193 Ca -0.18 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1jf5 n THR 193 Cb 0.53 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1jf5 n THR 193 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1jf5 n PRO 194 N -1.64 2.51 -2.95 -0.78 -0.02 -1.26 -4.36 135.00 126.50 1jf5 n PRO 194 Ca 0.01 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 1jf5 n PRO 194 Cb 0.05 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 30.95 1jf5 n PRO 194 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1jf5 n ILE 195 N 0.56 -0.32 -4.03 4.25 -5.35 -1.26 -4.90 119.36 108.30 1jf5 n ILE 195 Ca 0.03 -2.63 -0.09 0.00 -0.27 0.00 0.00 62.75 59.79 1jf5 n ILE 195 Cb 0.38 -0.07 -0.11 0.00 -1.74 0.00 0.00 39.64 38.10 1jf5 n ILE 195 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jf5 s PHE 196 N -0.14 0.40 -0.40 4.28 2.99 -1.26 -4.11 117.98 119.73 1jf5 s PHE 196 Ca 0.33 -0.70 -0.41 0.00 0.00 0.00 0.00 56.93 56.15 1jf5 s PHE 196 Cb 0.20 -0.28 -0.16 0.00 0.00 0.00 0.00 43.02 42.78 1jf5 s PHE 196 CO -0.19 -0.23 1.97 0.00 -0.00 0.00 0.00 175.22 176.77 1jf5 n ALA 197 N 1.09 0.09 -3.24 5.36 0.00 0.11 -4.28 120.51 119.64 1jf5 n ALA 197 Ca -0.21 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1jf5 n ALA 197 Cb 0.57 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 1jf5 n ALA 197 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jf5 s SER 198 N 5.24 -0.26 0.42 0.00 0.15 -1.26 -0.27 113.70 117.71 1jf5 s SER 198 Ca 1.09 0.35 0.23 0.00 0.70 0.00 0.00 55.95 58.32 1jf5 s SER 198 Cb -1.22 0.48 0.77 0.00 -1.71 0.00 0.00 66.02 64.34 1jf5 s SER 198 CO 0.64 -0.30 1.76 1.55 1.20 0.00 0.00 173.24 178.09 1jf5 h PRO 199 N 4.63 0.00 -7.27 5.44 0.13 -1.93 -3.46 132.00 129.54 1jf5 h PRO 199 Ca -0.28 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 1jf5 h PRO 199 Cb 1.18 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.41 1jf5 h PRO 199 CO 0.35 0.24 0.18 -1.54 -0.23 0.00 0.00 178.00 177.00 1jf5 s SER 200 N -6.21 4.24 0.09 1.44 1.04 -1.26 -5.01 113.70 108.03 1jf5 s SER 200 Ca 0.01 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 1jf5 s SER 200 Cb 0.09 -0.32 -0.20 0.00 0.10 0.00 0.00 66.02 65.70 1jf5 s SER 200 CO 0.65 -1.95 1.21 0.45 0.98 0.00 0.00 173.24 174.58 1jf5 h HIS 201 N -0.73 0.67 0.02 5.02 3.86 -1.98 -3.31 115.15 118.70 1jf5 h HIS 201 Ca -0.40 -0.42 -0.20 0.00 -1.16 0.00 0.00 60.37 58.19 1jf5 h HIS 201 Cb 1.27 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1jf5 h HIS 201 CO -0.27 1.27 -0.93 1.12 0.86 0.00 0.00 177.93 179.98 1jf5 h HIS 202 N 0.19 0.18 -0.25 2.45 -0.00 -1.97 -3.48 115.15 112.27 1jf5 h HIS 202 Ca -0.12 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.03 1jf5 h HIS 202 Cb 1.78 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 29.14 1jf5 h HIS 202 CO 0.07 0.97 -0.09 1.63 -0.00 0.00 0.00 177.93 180.51 1jf5 n LYS 203 N -3.56 -0.35 0.02 5.12 4.76 -1.25 -4.80 118.16 118.11 1jf5 n LYS 203 Ca -0.03 0.67 0.13 0.00 -2.87 0.00 0.00 58.31 56.20 1jf5 n LYS 203 Cb 0.85 -4.38 0.33 0.00 -1.84 0.00 0.00 35.03 29.99 1jf5 n LYS 203 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1jf5 n TYR 204 N -2.89 0.21 -3.46 2.13 4.01 -1.26 -4.44 117.16 111.46 1jf5 n TYR 204 Ca -0.05 0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1jf5 n TYR 204 Cb 0.18 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 1jf5 n TYR 204 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1jf5 s ASP 205 N -3.42 6.68 -0.06 7.72 -4.77 -1.26 -4.77 116.67 116.79 1jf5 s ASP 205 Ca 0.10 -3.45 -0.37 0.00 -3.30 0.00 0.00 52.55 45.54 1jf5 s ASP 205 Cb 0.16 -2.09 -0.14 0.00 -1.09 0.00 0.00 42.92 39.76 1jf5 s ASP 205 CO 0.66 -0.30 1.66 0.41 0.70 0.00 0.00 175.17 178.30 1jf5 n THR 206 N 2.83 0.26 -0.13 2.11 -1.04 -1.26 -4.13 114.28 112.92 1jf5 n THR 206 Ca 0.20 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.95 1jf5 n THR 206 Cb 0.40 -1.37 -0.10 0.00 -1.82 0.00 0.00 70.33 67.43 1jf5 n THR 206 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jf5 n ALA 207 N 4.73 1.41 -3.60 2.41 0.00 0.62 0.40 120.51 126.48 1jf5 n ALA 207 Ca 0.22 -1.03 -0.27 0.00 0.00 0.00 0.00 53.44 52.35 1jf5 n ALA 207 Cb 0.22 0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.55 1jf5 n ALA 207 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jf5 s ASP 208 N -6.79 2.93 0.59 0.00 3.68 -0.55 -4.00 116.67 112.54 1jf5 s ASP 208 Ca -0.34 -0.94 0.37 0.00 2.13 0.00 0.00 52.55 53.76 1jf5 s ASP 208 Cb 0.11 -0.34 1.82 0.00 -1.45 0.00 0.00 42.92 43.06 1jf5 s ASP 208 CO 0.51 -0.38 2.17 1.88 0.13 0.00 0.00 175.17 179.48 1jf5 h TYR 209 N 8.39 0.00 -0.62 -5.34 -1.99 -1.91 -2.85 116.97 112.65 1jf5 h TYR 209 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1jf5 h TYR 209 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1jf5 h TYR 209 CO 0.23 0.03 0.00 1.28 -0.00 0.00 0.00 178.16 179.70 1jf5 n LEU 210 N -3.23 4.16 -3.90 3.88 4.77 -1.26 -4.94 117.00 116.48 1jf5 n LEU 210 Ca -0.01 -2.09 -0.11 0.00 -0.03 0.00 0.00 56.01 53.76 1jf5 n LEU 210 Cb 0.19 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.63 1jf5 n LEU 210 CO 0.25 0.79 -0.35 0.00 -1.33 0.00 0.00 177.39 176.75 1jf5 s ALA 211 N -1.62 0.01 0.28 -1.18 0.00 -1.08 -5.03 121.76 113.14 1jf5 s ALA 211 Ca 0.46 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1jf5 s ALA 211 Cb 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 1jf5 s ALA 211 CO 0.25 -0.05 1.03 0.42 0.00 0.00 0.00 175.76 177.41 1jf5 s ILE 212 N -0.40 3.75 0.15 0.00 -1.09 -1.26 0.07 121.20 122.42 1jf5 s ILE 212 Ca -0.04 1.72 -0.31 0.00 -2.23 0.00 0.00 60.65 59.78 1jf5 s ILE 212 Cb -0.03 -4.08 -0.10 0.00 -1.58 0.00 0.00 42.46 36.67 1jf5 s ILE 212 CO -0.00 0.38 1.72 -0.62 -1.23 0.00 0.00 174.94 175.18 1jf5 s ASP 213 N -1.07 6.47 0.49 3.58 -1.08 -1.26 -4.48 116.67 119.31 1jf5 s ASP 213 Ca 0.44 2.72 0.35 0.00 -0.52 0.00 0.00 52.55 55.54 1jf5 s ASP 213 Cb -0.28 -2.58 1.49 0.00 -1.46 0.00 0.00 42.92 40.08 1jf5 s ASP 213 CO 0.36 -0.94 1.67 -0.65 0.52 0.00 0.00 175.17 176.13 1jf5 h PRO 214 N 7.63 0.08 0.00 4.34 0.11 -1.93 1.02 132.00 143.26 1jf5 h PRO 214 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jf5 h PRO 214 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jf5 h PRO 214 CO 0.94 0.06 -0.00 -0.56 -0.21 0.00 0.00 178.00 178.22 1jf5 h GLN 215 N 0.09 0.00 0.00 1.05 3.07 -1.88 -3.18 115.11 114.25 1jf5 h GLN 215 Ca 0.76 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 59.15 1jf5 h GLN 215 Cb 2.65 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 30.15 1jf5 h GLN 215 CO -0.21 0.00 -2.17 1.19 0.09 0.00 0.00 178.83 177.74 1jf5 n PHE 216 N -3.10 0.34 -0.59 0.06 3.72 0.35 -4.64 117.46 113.60 1jf5 n PHE 216 Ca 0.01 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1jf5 n PHE 216 Cb 0.32 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 1jf5 n PHE 216 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jf5 n GLY 217 N 1.71 0.03 3.41 1.37 0.00 -0.91 -1.62 105.19 109.17 1jf5 n GLY 217 Ca -0.28 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1jf5 n GLY 217 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jf5 s ASP 218 N -4.00 0.76 0.16 1.61 1.47 -1.26 -4.11 116.67 111.30 1jf5 s ASP 218 Ca 0.00 -1.43 -0.19 0.00 1.18 0.00 0.00 52.55 52.11 1jf5 s ASP 218 Cb 0.00 0.58 0.08 0.00 -0.34 0.00 0.00 42.92 43.24 1jf5 s ASP 218 CO 0.00 -1.14 1.64 -0.07 0.68 0.00 0.00 175.17 176.28 1jf5 h LEU 219 N 2.23 -0.63 -0.83 2.11 -0.00 -1.95 -0.63 115.31 115.61 1jf5 h LEU 219 Ca -0.29 0.14 0.17 0.00 -0.00 0.00 0.00 57.88 57.90 1jf5 h LEU 219 Cb 1.24 0.34 -0.10 0.00 -0.00 0.00 0.00 40.66 42.13 1jf5 h LEU 219 CO 0.40 -0.22 0.37 -0.65 -0.00 0.00 0.00 178.44 178.35 1jf5 h PRO 220 N -0.12 0.47 -0.49 1.13 0.11 -1.99 0.41 132.00 131.52 1jf5 h PRO 220 Ca 0.18 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1jf5 h PRO 220 Cb 0.41 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1jf5 h PRO 220 CO -0.44 0.31 -0.13 1.15 -0.21 0.00 0.00 178.00 178.68 1jf5 h THR 221 N 0.49 1.27 -0.56 -1.15 2.02 -1.70 -1.28 112.91 112.00 1jf5 h THR 221 Ca 0.48 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1jf5 h THR 221 Cb 0.78 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1jf5 h THR 221 CO -0.43 0.43 0.25 0.15 0.37 0.00 0.00 175.52 176.29 1jf5 h PHE 222 N 0.82 0.83 -0.33 3.16 3.57 0.12 -0.12 116.94 124.98 1jf5 h PHE 222 Ca 0.13 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jf5 h PHE 222 Cb 0.66 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1jf5 h PHE 222 CO 0.04 0.66 0.19 0.00 -2.23 0.00 0.00 178.31 176.97 1jf5 h ARG 223 N 0.76 0.38 -0.49 1.11 2.47 -0.49 -0.88 114.38 117.24 1jf5 h ARG 223 Ca 0.19 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1jf5 h ARG 223 Cb 0.16 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 1jf5 h ARG 223 CO -0.02 0.25 0.22 -0.09 0.56 0.00 0.00 179.97 180.89 1jf5 h ARG 224 N 0.39 0.41 -0.72 0.04 9.65 -0.87 -0.96 114.38 122.32 1jf5 h ARG 224 Ca 0.13 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1jf5 h ARG 224 Cb 0.00 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1jf5 h ARG 224 CO -0.06 0.27 0.47 1.25 2.80 0.00 0.00 179.97 184.70 1jf5 h LEU 225 N 0.42 0.80 0.08 3.80 5.85 -0.37 0.14 115.31 126.04 1jf5 h LEU 225 Ca 0.22 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jf5 h LEU 225 Cb 0.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1jf5 h LEU 225 CO -0.19 0.57 -0.04 0.58 -0.34 0.00 0.00 178.44 179.02 1jf5 h VAL 226 N 0.95 0.96 -0.19 1.05 2.07 -0.58 -1.13 116.25 119.39 1jf5 h VAL 226 Ca 0.27 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jf5 h VAL 226 Cb -0.07 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1jf5 h VAL 226 CO -0.07 0.04 0.10 0.44 0.02 0.00 0.00 177.57 178.10 1jf5 h ASP 227 N -0.17 0.24 0.14 0.57 3.32 -0.80 0.25 116.42 119.95 1jf5 h ASP 227 Ca -0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1jf5 h ASP 227 Cb 0.14 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1jf5 h ASP 227 CO 0.02 0.25 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.30 1jf5 h GLU 228 N 0.20 0.07 -0.00 3.56 4.39 -0.71 -1.88 114.58 120.21 1jf5 h GLU 228 Ca 0.07 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1jf5 h GLU 228 Cb 0.07 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1jf5 h GLU 228 CO -0.01 0.24 -0.35 0.00 -1.16 0.00 0.00 179.01 177.72 1jf5 h ALA 229 N 1.77 0.05 -0.32 3.43 0.00 -0.85 -3.27 119.26 120.07 1jf5 h ALA 229 Ca 0.01 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1jf5 h ALA 229 Cb 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1jf5 h ALA 229 CO 0.02 0.17 0.02 0.45 0.00 0.00 0.00 179.25 179.91 1jf5 h HIS 230 N -0.38 0.03 0.00 0.00 3.86 -0.07 0.22 115.15 118.80 1jf5 h HIS 230 Ca -0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jf5 h HIS 230 Cb 1.10 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1jf5 h HIS 230 CO 0.17 -0.03 0.04 0.07 0.86 0.00 0.00 177.93 179.04 1jf5 h ARG 231 N 0.12 0.00 -0.68 2.45 0.11 -1.46 0.70 114.38 115.62 1jf5 h ARG 231 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1jf5 h ARG 231 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1jf5 h ARG 231 CO -0.23 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.38 1jf5 n ARG 232 N -2.40 3.53 -1.98 0.08 1.74 0.69 -4.91 116.66 113.41 1jf5 n ARG 232 Ca -0.02 -2.84 -0.12 0.00 -0.77 0.00 0.00 57.85 54.11 1jf5 n ARG 232 Cb 0.08 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 1jf5 n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jf5 n GLY 233 N 1.28 0.28 3.23 -0.13 0.00 0.24 -4.90 105.19 105.19 1jf5 n GLY 233 Ca 0.26 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1jf5 n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jf5 s ILE 234 N -2.57 2.43 0.56 -0.61 1.01 -0.74 -4.51 121.20 116.78 1jf5 s ILE 234 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1jf5 s ILE 234 Cb 0.00 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1jf5 s ILE 234 CO 0.00 0.53 0.82 -0.54 0.00 0.00 0.00 174.94 175.75 1jf5 s LYS 235 N 0.81 2.75 -0.16 2.79 1.02 0.07 -2.92 119.74 124.10 1jf5 s LYS 235 Ca -0.06 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1jf5 s LYS 235 Cb -0.15 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1jf5 s LYS 235 CO -0.01 -0.67 -0.19 0.42 -0.92 0.00 0.00 175.35 173.98 1jf5 s ILE 236 N -2.85 2.25 -0.15 2.17 -1.09 -1.26 -0.94 121.20 119.33 1jf5 s ILE 236 Ca 0.54 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1jf5 s ILE 236 Cb -0.10 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.86 1jf5 s ILE 236 CO 0.41 0.53 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.82 1jf5 s ILE 237 N 0.96 2.12 0.18 2.92 -1.09 -0.31 0.87 121.20 126.84 1jf5 s ILE 237 Ca -0.03 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1jf5 s ILE 237 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 1jf5 s ILE 237 CO -0.04 0.54 0.20 -0.76 -1.23 0.00 0.00 174.94 173.65 1jf5 s LEU 238 N 0.90 3.98 -0.22 2.97 1.43 -0.98 -1.57 118.68 125.19 1jf5 s LEU 238 Ca -0.05 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 1jf5 s LEU 238 Cb -0.15 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1jf5 s LEU 238 CO -0.04 0.04 0.54 -0.62 0.23 0.00 0.00 176.35 176.50 1jf5 s ASP 239 N -3.32 6.55 -0.34 2.29 -1.08 -1.13 -1.28 116.67 118.37 1jf5 s ASP 239 Ca 0.32 0.66 -0.12 0.00 -0.52 0.00 0.00 52.55 52.89 1jf5 s ASP 239 Cb -0.10 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1jf5 s ASP 239 CO 0.25 -0.23 0.23 0.00 0.52 0.00 0.00 175.17 175.94 1jf5 s ALA 240 N 1.87 3.45 -1.05 3.66 0.00 0.22 -4.73 121.76 125.18 1jf5 s ALA 240 Ca 0.24 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 1jf5 s ALA 240 Cb -0.15 -2.62 0.24 0.00 0.00 0.00 0.00 23.12 20.58 1jf5 s ALA 240 CO 0.09 -1.01 1.09 0.08 0.00 0.00 0.00 175.76 176.02 1jf5 s VAL 241 N 1.69 5.66 -0.94 0.00 1.01 -1.26 -1.18 120.40 125.38 1jf5 s VAL 241 Ca 0.06 -2.94 0.22 0.00 0.00 0.00 0.00 61.98 59.31 1jf5 s VAL 241 Cb -0.17 -4.64 -0.19 0.00 0.00 0.00 0.00 36.38 31.37 1jf5 s VAL 241 CO 0.09 -1.25 0.97 0.49 0.00 0.00 0.00 175.10 175.41 1jf5 n PHE 242 N 3.76 0.01 0.02 5.22 3.72 -1.26 -4.40 117.46 124.53 1jf5 n PHE 242 Ca 0.24 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.57 1jf5 n PHE 242 Cb 0.42 -0.08 0.10 0.00 -0.94 0.00 0.00 39.48 38.99 1jf5 n PHE 242 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1jf5 h ASN 243 N 0.00 0.52 -5.06 4.37 -1.24 -1.85 -3.44 115.58 108.89 1jf5 h ASN 243 Ca 0.00 -0.25 -0.10 0.00 0.71 0.00 0.00 56.30 56.66 1jf5 h ASN 243 Cb 0.53 -0.15 -0.17 0.00 0.73 0.00 0.00 38.32 39.26 1jf5 h ASN 243 CO 0.00 0.92 -0.28 -1.38 -1.29 0.00 0.00 177.43 175.40 1jf5 s HIS 244 N -4.09 -0.07 0.53 0.67 -3.43 -1.26 -1.95 115.29 105.68 1jf5 s HIS 244 Ca -0.07 -0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.15 1jf5 s HIS 244 Cb 0.12 0.07 0.04 0.00 -1.43 0.00 0.00 32.58 31.38 1jf5 s HIS 244 CO 0.82 -0.48 0.31 0.00 -2.00 0.00 0.00 174.74 173.39 1jf5 n ALA 245 N 0.62 0.74 -2.41 -1.38 0.00 -1.01 -4.72 120.51 112.35 1jf5 n ALA 245 Ca -0.19 -2.17 -0.25 0.00 0.00 0.00 0.00 53.44 50.84 1jf5 n ALA 245 Cb 0.59 0.96 0.00 0.00 0.00 0.00 0.00 19.45 21.00 1jf5 n ALA 245 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jf5 s GLY 246 N -4.08 1.47 0.00 0.00 0.00 0.16 -2.77 107.32 102.11 1jf5 s GLY 246 Ca 0.24 -0.83 0.19 0.00 0.00 0.00 0.00 44.72 44.32 1jf5 s GLY 246 CO 0.15 -0.69 1.58 2.09 0.00 0.00 0.00 173.10 176.23 1jf5 n ASP 247 N -2.07 0.00 -1.04 1.64 5.75 -0.78 -1.79 116.55 118.25 1jf5 n ASP 247 Ca -0.01 -0.05 0.12 0.00 -0.01 0.00 0.00 54.79 54.84 1jf5 n ASP 247 Cb 0.56 -0.25 0.18 0.00 -1.03 0.00 0.00 41.12 40.58 1jf5 n ASP 247 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jf5 n GLN 248 N -1.25 2.39 -1.73 0.11 1.13 -1.26 -4.17 117.38 112.60 1jf5 n GLN 248 Ca 0.10 -2.07 -0.42 0.00 -1.94 0.00 0.00 57.00 52.67 1jf5 n GLN 248 Cb 0.14 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 1jf5 n GLN 248 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1jf5 s PHE 249 N -1.74 1.83 0.37 1.08 5.36 -0.74 -4.77 117.98 119.36 1jf5 s PHE 249 Ca 0.34 -0.15 0.24 0.00 -0.96 0.00 0.00 56.93 56.39 1jf5 s PHE 249 Cb 0.21 -4.17 1.29 0.00 -0.34 0.00 0.00 43.02 40.01 1jf5 s PHE 249 CO 0.31 -5.01 1.44 1.97 -1.46 0.00 0.00 175.22 172.47 1jf5 n PHE 250 N 6.46 0.90 -0.00 10.12 1.16 -1.26 0.11 117.46 134.94 1jf5 n PHE 250 Ca 0.18 0.91 -0.18 0.00 -1.87 0.00 0.00 57.45 56.49 1jf5 n PHE 250 Cb 0.40 -1.32 -0.09 0.00 -1.61 0.00 0.00 39.48 36.85 1jf5 n PHE 250 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jf5 h ALA 251 N 1.68 0.17 -0.36 1.98 0.00 -1.94 -2.85 119.26 117.93 1jf5 h ALA 251 Ca 0.79 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1jf5 h ALA 251 Cb 2.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1jf5 h ALA 251 CO -0.59 0.49 -0.17 0.35 0.00 0.00 0.00 179.25 179.33 1jf5 h PHE 252 N 0.19 0.87 -0.67 0.00 3.57 0.44 -2.70 116.94 118.64 1jf5 h PHE 252 Ca -0.07 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.27 1jf5 h PHE 252 Cb 1.36 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1jf5 h PHE 252 CO 0.12 0.94 0.44 0.00 -2.23 0.00 0.00 178.31 177.58 1jf5 h ARG 253 N 0.55 0.72 -0.55 1.11 3.08 -1.22 -0.16 114.38 117.90 1jf5 h ARG 253 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1jf5 h ARG 253 Cb 0.71 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1jf5 h ARG 253 CO 0.05 0.48 0.23 0.22 -1.07 0.00 0.00 179.97 179.88 1jf5 h ASP 254 N 0.75 0.75 -0.10 7.04 3.58 -1.23 -0.85 116.42 126.35 1jf5 h ASP 254 Ca 0.28 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 1jf5 h ASP 254 Cb 0.17 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1jf5 h ASP 254 CO -0.08 0.70 -0.24 0.58 -2.88 0.00 0.00 179.24 177.32 1jf5 h VAL 255 N 0.75 1.27 0.00 2.25 2.07 -1.27 0.24 116.25 121.55 1jf5 h VAL 255 Ca 0.18 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1jf5 h VAL 255 Cb 0.18 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jf5 h VAL 255 CO -0.02 0.41 -0.10 -0.07 0.02 0.00 0.00 177.57 177.81 1jf5 h LEU 256 N 0.48 0.00 0.10 2.57 3.38 0.10 1.20 115.31 123.14 1jf5 h LEU 256 Ca 0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.68 1jf5 h LEU 256 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1jf5 h LEU 256 CO 0.05 0.10 -2.02 1.67 0.09 0.00 0.00 178.44 178.33 1jf5 n GLN 257 N -4.13 0.73 -0.08 1.13 -0.06 -0.44 -4.51 117.38 110.03 1jf5 n GLN 257 Ca -0.03 0.27 0.10 0.00 -2.00 0.00 0.00 57.00 55.34 1jf5 n GLN 257 Cb 0.18 -1.68 0.13 0.00 -4.06 0.00 0.00 30.24 24.81 1jf5 n GLN 257 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1jf5 n LYS 258 N -3.53 1.98 0.00 3.69 5.02 0.79 -5.06 118.16 121.06 1jf5 n LYS 258 Ca -0.34 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 1jf5 n LYS 258 Cb 1.01 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1jf5 n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jf5 n GLY 259 N 1.14 2.34 0.00 0.72 0.00 0.41 -0.81 105.19 109.00 1jf5 n GLY 259 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1jf5 n GLY 259 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jf5 n GLU 260 N 14.00 0.33 0.03 1.61 0.28 -1.26 -1.65 120.64 133.98 1jf5 n GLU 260 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1jf5 n GLU 260 Cb 0.00 -1.48 0.09 0.00 1.43 0.00 0.00 31.44 31.49 1jf5 n GLU 260 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jf5 n GLN 261 N -0.98 0.23 -2.39 3.44 1.13 0.01 -4.92 117.38 113.90 1jf5 n GLN 261 Ca 0.08 0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.77 1jf5 n GLN 261 Cb 0.03 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.76 1jf5 n GLN 261 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1jf5 s SER 262 N -3.80 6.81 0.00 1.08 1.04 -0.66 -4.92 113.70 113.25 1jf5 s SER 262 Ca 0.06 2.28 0.28 0.00 0.48 0.00 0.00 55.95 59.05 1jf5 s SER 262 Cb 0.15 -2.61 1.53 0.00 0.10 0.00 0.00 66.02 65.18 1jf5 s SER 262 CO 0.77 -0.47 2.00 -1.14 0.98 0.00 0.00 173.24 175.38 1jf5 n ARG 263 N 0.42 1.16 -0.12 4.02 0.00 -1.26 -3.28 116.66 117.60 1jf5 n ARG 263 Ca 0.03 -0.23 0.04 0.00 -0.00 0.00 0.00 57.85 57.68 1jf5 n ARG 263 Cb 0.46 -1.45 0.10 0.00 0.00 0.00 0.00 32.46 31.57 1jf5 n ARG 263 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1jf5 n TYR 264 N -0.68 0.29 0.21 -0.14 4.02 -1.26 -4.67 117.16 114.93 1jf5 n TYR 264 Ca 0.21 -0.54 0.05 0.00 -0.01 0.00 0.00 57.90 57.61 1jf5 n TYR 264 Cb 0.15 -0.06 0.47 0.00 -0.02 0.00 0.00 39.34 39.89 1jf5 n TYR 264 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1jf5 h LYS 265 N 1.13 0.00 -0.37 -0.72 2.10 -1.86 -2.82 116.57 114.03 1jf5 h LYS 265 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jf5 h LYS 265 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1jf5 h LYS 265 CO 0.01 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.47 1jf5 n ASP 266 N -4.13 0.97 -0.44 7.07 9.92 -1.26 -2.96 116.55 125.71 1jf5 n ASP 266 Ca -0.02 -2.05 0.12 0.00 -0.53 0.00 0.00 54.79 52.31 1jf5 n ASP 266 Cb 0.31 -0.22 0.16 0.00 -0.64 0.00 0.00 41.12 40.73 1jf5 n ASP 266 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1jf5 n TRP 267 N -0.08 0.00 -4.34 1.24 7.02 -1.06 -4.85 117.44 115.36 1jf5 n TRP 267 Ca 0.04 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.33 1jf5 n TRP 267 Cb 0.19 -0.04 -0.06 0.00 -2.42 0.00 0.00 31.31 28.98 1jf5 n TRP 267 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1jf5 n PHE 268 N -0.13 -0.15 -3.77 -5.99 3.01 -1.15 -1.59 117.46 107.68 1jf5 n PHE 268 Ca 0.11 -2.17 -0.35 0.00 1.01 0.00 0.00 57.45 56.06 1jf5 n PHE 268 Cb 0.43 0.08 -0.11 0.00 -0.01 0.00 0.00 39.48 39.87 1jf5 n PHE 268 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1jf5 s PHE 269 N -2.89 3.37 -0.12 1.38 0.08 -1.26 -4.82 117.98 113.72 1jf5 s PHE 269 Ca 0.22 -2.81 -0.02 0.00 0.12 0.00 0.00 56.93 54.43 1jf5 s PHE 269 Cb 0.01 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1jf5 s PHE 269 CO 0.16 -0.82 -0.04 0.42 -0.10 0.00 0.00 175.22 174.84 1jf5 s ILE 270 N -0.08 3.93 -0.07 0.64 1.01 -1.26 -1.08 121.20 124.29 1jf5 s ILE 270 Ca 0.17 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1jf5 s ILE 270 Cb -0.21 -2.69 -0.28 0.00 0.01 0.00 0.00 42.46 39.29 1jf5 s ILE 270 CO -0.03 0.54 0.56 1.05 0.00 0.00 0.00 174.94 177.05 1jf5 h GLU 271 N 6.09 0.30 -1.80 2.79 4.11 -1.80 -3.49 114.58 120.77 1jf5 h GLU 271 Ca -0.39 -0.50 0.02 0.00 0.07 0.00 0.00 59.36 58.56 1jf5 h GLU 271 Cb 1.19 0.19 -0.21 0.00 0.50 0.00 0.00 28.75 30.42 1jf5 h GLU 271 CO 0.59 1.19 0.39 0.16 0.07 0.00 0.00 179.01 181.41 1jf5 s ASP 272 N -7.07 -0.49 0.24 3.06 1.47 -1.26 -5.13 116.67 107.49 1jf5 s ASP 272 Ca -0.17 0.51 0.06 0.00 1.18 0.00 0.00 52.55 54.12 1jf5 s ASP 272 Cb 0.06 0.41 -0.03 0.00 -0.34 0.00 0.00 42.92 43.02 1jf5 s ASP 272 CO 0.81 -0.48 0.31 -0.36 0.68 0.00 0.00 175.17 176.13 1jf5 s PHE 273 N -1.29 3.34 0.70 2.11 0.08 -1.26 -4.43 117.98 117.24 1jf5 s PHE 273 Ca -0.05 -0.04 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 1jf5 s PHE 273 Cb -0.00 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 1jf5 s PHE 273 CO 0.04 0.47 1.14 -1.25 -0.10 0.00 0.00 175.22 175.52 1jf5 s PRO 274 N -3.92 2.46 -0.69 0.24 0.04 -1.26 -5.11 135.00 126.76 1jf5 s PRO 274 Ca 0.34 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 1jf5 s PRO 274 Cb -0.09 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1jf5 s PRO 274 CO 0.28 -1.53 0.80 0.08 0.04 0.00 0.00 177.00 176.66 1jf5 s VAL 275 N -2.31 4.90 0.00 -0.36 1.01 -1.26 -4.95 120.40 117.43 1jf5 s VAL 275 Ca 0.68 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1jf5 s VAL 275 Cb -0.23 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.60 1jf5 s VAL 275 CO 0.45 -1.20 0.00 -0.24 0.00 0.00 0.00 175.10 174.11 1jf5 n SER 276 N 6.07 0.00 0.00 3.32 2.88 -1.26 -4.87 113.62 119.76 1jf5 n SER 276 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jf5 n SER 276 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1jf5 n SER 276 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1jf5 n LYS 277 N -0.71 0.00 -3.72 -1.46 4.81 -1.26 -4.85 118.16 110.97 1jf5 n LYS 277 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1jf5 n LYS 277 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1jf5 n LYS 277 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jf5 s THR 278 N -2.00 5.40 0.00 3.15 2.01 -1.26 -4.34 115.64 118.60 1jf5 s THR 278 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1jf5 s THR 278 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1jf5 s THR 278 CO 0.00 0.47 0.00 -1.20 -0.69 0.00 0.00 174.62 173.20 1jf5 n SER 279 N 3.20 0.00 -4.01 3.53 7.64 -1.26 -4.87 113.62 117.84 1jf5 n SER 279 Ca -0.16 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.55 1jf5 n SER 279 Cb 0.53 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 1jf5 n SER 279 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jf5 s ARG 280 N 0.00 0.63 -0.08 1.43 3.52 -1.26 -4.88 118.95 118.31 1jf5 s ARG 280 Ca 0.00 -0.33 -0.10 0.00 -0.13 0.00 0.00 55.73 55.17 1jf5 s ARG 280 Cb 0.00 -0.60 0.02 0.00 -1.56 0.00 0.00 34.95 32.82 1jf5 s ARG 280 CO 0.00 0.16 0.26 0.95 -0.81 0.00 0.00 175.30 175.86 1jf5 s THR 281 N -0.30 0.01 -0.36 4.11 -4.23 -1.26 -4.08 115.64 109.53 1jf5 s THR 281 Ca 0.02 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 1jf5 s THR 281 Cb -0.04 -0.40 0.54 0.00 1.34 0.00 0.00 72.50 73.95 1jf5 s THR 281 CO -0.00 -0.05 1.73 -0.46 -0.54 0.00 0.00 174.62 175.30 1jf5 n ASN 282 N 2.69 3.63 -3.73 3.99 6.94 -1.26 -4.88 115.26 122.64 1jf5 n ASN 282 Ca -0.14 -3.28 -0.14 0.00 -0.02 0.00 0.00 54.58 51.00 1jf5 n ASN 282 Cb 0.58 -0.77 -0.08 0.00 -2.36 0.00 0.00 39.78 37.14 1jf5 n ASN 282 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1jf5 s TYR 283 N -2.65 -0.27 0.29 -2.53 -0.85 -1.26 -1.99 117.35 108.09 1jf5 s TYR 283 Ca 0.46 0.46 -0.29 0.00 -0.52 0.00 0.00 57.07 57.18 1jf5 s TYR 283 Cb 0.38 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 42.77 1jf5 s TYR 283 CO 0.09 -0.40 1.34 -2.00 -1.52 0.00 0.00 175.55 173.06 1jf5 s GLU 284 N -1.14 4.34 0.24 -3.49 2.12 -0.24 -4.99 118.70 115.54 1jf5 s GLU 284 Ca -0.12 2.21 0.02 0.00 0.36 0.00 0.00 54.97 57.44 1jf5 s GLU 284 Cb -0.04 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1jf5 s GLU 284 CO 0.05 -0.24 0.05 0.95 -0.54 0.00 0.00 175.26 175.52 1jf5 s THR 285 N -0.69 0.75 0.47 -1.70 -4.23 -1.26 -2.04 115.64 106.94 1jf5 s THR 285 Ca 0.52 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.79 1jf5 s THR 285 Cb -0.40 -2.49 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 1jf5 s THR 285 CO 0.48 -0.16 1.39 0.00 -0.54 0.00 0.00 174.62 175.79 1jf5 s ALA 286 N -3.61 3.12 0.00 3.99 0.00 -0.60 -4.62 121.76 120.03 1jf5 s ALA 286 Ca 0.33 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1jf5 s ALA 286 Cb 0.07 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jf5 s ALA 286 CO 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 175.76 174.67 1jf5 n ALA 287 N -0.41 0.00 -3.63 0.00 0.00 -1.26 -4.20 120.51 111.01 1jf5 n ALA 287 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1jf5 n ALA 287 Cb 0.43 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 1jf5 n ALA 287 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jf5 s VAL 288 N 0.00 1.74 -1.24 0.00 1.01 -1.26 -4.87 120.40 115.78 1jf5 s VAL 288 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1jf5 s VAL 288 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1jf5 s VAL 288 CO 0.00 0.49 0.65 0.00 0.00 0.00 0.00 175.10 176.24 1jf5 n GLN 289 N 4.11 -1.52 -3.86 2.72 1.13 -1.26 -4.95 117.38 113.75 1jf5 n GLN 289 Ca -0.19 0.35 -0.30 0.00 -1.94 0.00 0.00 57.00 54.91 1jf5 n GLN 289 Cb 0.51 -3.87 -0.11 0.00 0.11 0.00 0.00 30.24 26.88 1jf5 n GLN 289 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1jf5 s VAL 290 N -3.64 3.11 0.30 5.09 1.01 -1.26 -4.79 120.40 120.22 1jf5 s VAL 290 Ca 0.35 -3.95 0.04 0.00 0.00 0.00 0.00 61.98 58.41 1jf5 s VAL 290 Cb -0.14 -3.04 0.33 0.00 0.00 0.00 0.00 36.38 33.53 1jf5 s VAL 290 CO 0.90 -0.97 1.63 -0.65 0.00 0.00 0.00 175.10 176.01 1jf5 h PRO 291 N 5.81 0.17 0.00 2.72 0.11 -1.92 -0.23 132.00 138.66 1jf5 h PRO 291 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jf5 h PRO 291 Cb 0.80 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jf5 h PRO 291 CO 0.73 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.64 1jf5 n ALA 292 N -2.71 1.91 -3.21 -0.75 0.00 -1.26 -3.93 120.51 110.56 1jf5 n ALA 292 Ca 0.23 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 1jf5 n ALA 292 Cb 0.75 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1jf5 n ALA 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jf5 n MET 293 N -1.14 1.70 -2.07 0.00 2.81 -0.10 -1.87 117.12 116.45 1jf5 n MET 293 Ca 0.09 -3.94 -0.42 0.00 -1.81 0.00 0.00 57.70 51.62 1jf5 n MET 293 Cb 0.08 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 30.78 1jf5 n MET 293 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1jf5 s PRO 294 N -2.20 4.25 0.32 0.03 0.04 -1.12 -1.56 135.00 134.77 1jf5 s PRO 294 Ca 0.40 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 1jf5 s PRO 294 Cb 0.22 -3.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.21 1jf5 s PRO 294 CO -0.08 -0.60 1.55 0.21 0.04 0.00 0.00 177.00 178.13 1jf5 s LYS 295 N 1.98 4.12 0.07 4.56 2.20 -0.87 -2.39 119.74 129.41 1jf5 s LYS 295 Ca 0.68 2.57 -0.20 0.00 -0.36 0.00 0.00 55.97 58.66 1jf5 s LYS 295 Cb -0.37 -3.01 -0.07 0.00 -1.51 0.00 0.00 37.83 32.88 1jf5 s LYS 295 CO 0.30 -0.59 0.60 -0.51 -0.36 0.00 0.00 175.35 174.78 1jf5 s LEU 296 N -1.05 4.52 -1.17 5.43 1.43 -0.82 -4.12 118.68 122.89 1jf5 s LEU 296 Ca 0.60 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 1jf5 s LEU 296 Cb -0.47 -2.94 0.15 0.00 0.03 0.00 0.00 46.19 42.95 1jf5 s LEU 296 CO 0.53 0.24 1.43 -0.60 0.23 0.00 0.00 176.35 178.18 1jf5 s ARG 297 N -0.97 3.99 0.06 1.70 3.52 -0.62 -4.79 118.95 121.84 1jf5 s ARG 297 Ca 0.30 -2.34 0.05 0.00 -0.13 0.00 0.00 55.73 53.61 1jf5 s ARG 297 Cb -0.20 -5.11 0.26 0.00 -1.56 0.00 0.00 34.95 28.33 1jf5 s ARG 297 CO 0.20 -1.85 1.15 0.25 -0.81 0.00 0.00 175.30 174.24 1jf5 n THR 298 N 5.05 1.75 0.15 4.11 -2.24 -1.26 -1.26 114.28 120.58 1jf5 n THR 298 Ca 0.36 0.52 0.04 0.00 -2.27 0.00 0.00 64.05 62.70 1jf5 n THR 298 Cb 0.44 -1.50 0.07 0.00 -2.10 0.00 0.00 70.33 67.24 1jf5 n THR 298 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jf5 h GLU 299 N 0.00 0.00 -6.38 -0.78 5.08 -1.97 -3.39 114.58 107.14 1jf5 h GLU 299 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1jf5 h GLU 299 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jf5 h GLU 299 CO 0.00 0.44 0.83 1.21 -1.00 0.00 0.00 179.01 180.49 1jf5 s ASN 300 N -6.42 6.85 0.43 1.42 3.84 -0.39 -4.92 114.94 115.75 1jf5 s ASN 300 Ca 0.04 2.12 0.18 0.00 0.21 0.00 0.00 52.86 55.41 1jf5 s ASN 300 Cb 0.08 -2.56 1.11 0.00 -0.55 0.00 0.00 41.25 39.33 1jf5 s ASN 300 CO 0.73 -0.72 1.87 -0.65 -2.79 0.00 0.00 177.10 175.54 1jf5 h PRO 301 N 7.83 0.36 0.05 0.43 0.11 -1.87 0.28 132.00 139.18 1jf5 h PRO 301 Ca -0.38 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jf5 h PRO 301 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jf5 h PRO 301 CO 0.90 0.24 -0.03 0.93 -0.21 0.00 0.00 178.00 179.84 1jf5 h GLU 302 N 0.37 -0.07 -0.82 1.05 5.08 -1.93 -1.23 114.58 117.04 1jf5 h GLU 302 Ca 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1jf5 h GLU 302 Cb 1.15 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1jf5 h GLU 302 CO -0.15 0.43 0.54 0.28 -1.00 0.00 0.00 179.01 179.10 1jf5 h VAL 303 N -0.60 1.20 0.23 3.13 2.07 -1.48 -1.52 116.25 119.28 1jf5 h VAL 303 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jf5 h VAL 303 Cb 0.53 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1jf5 h VAL 303 CO 0.01 0.20 -0.21 0.50 0.02 0.00 0.00 177.57 178.09 1jf5 h LYS 304 N 1.10 -0.45 -0.72 1.57 3.64 -0.52 -2.64 116.57 118.55 1jf5 h LYS 304 Ca 0.30 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1jf5 h LYS 304 Cb -0.12 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1jf5 h LYS 304 CO -0.07 -0.30 0.48 1.49 -2.27 0.00 0.00 179.45 178.78 1jf5 h GLU 305 N -0.46 0.89 0.19 1.90 4.57 -0.85 -0.42 114.58 120.41 1jf5 h GLU 305 Ca -0.01 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1jf5 h GLU 305 Cb 0.42 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1jf5 h GLU 305 CO -0.04 0.59 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.37 1jf5 h TYR 306 N 0.92 -0.24 -0.78 0.92 5.03 -1.10 0.91 116.97 122.62 1jf5 h TYR 306 Ca 0.28 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 1jf5 h TYR 306 Cb -0.01 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1jf5 h TYR 306 CO -0.00 0.02 0.40 -0.07 -1.32 0.00 0.00 178.16 177.20 1jf5 h LEU 307 N -0.48 0.99 -0.89 2.82 3.38 -1.29 0.61 115.31 120.44 1jf5 h LEU 307 Ca -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1jf5 h LEU 307 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jf5 h LEU 307 CO 0.04 0.81 0.32 -0.26 0.09 0.00 0.00 178.44 179.44 1jf5 h PHE 308 N 1.10 1.14 -0.34 1.13 0.05 -0.88 0.14 116.94 119.29 1jf5 h PHE 308 Ca 0.27 -0.08 -0.11 0.00 3.82 0.00 0.00 57.97 61.87 1jf5 h PHE 308 Cb 0.06 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.65 1jf5 h PHE 308 CO 0.01 0.85 -0.26 -0.44 -0.18 0.00 0.00 178.31 178.30 1jf5 h ASP 309 N 1.10 0.69 -1.00 2.17 3.45 0.23 -1.54 116.42 121.52 1jf5 h ASP 309 Ca 0.26 -0.25 0.03 0.00 0.43 0.00 0.00 57.03 57.49 1jf5 h ASP 309 Cb 0.19 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.71 1jf5 h ASP 309 CO -0.02 0.92 0.66 0.58 -1.57 0.00 0.00 179.24 179.80 1jf5 h VAL 310 N 0.59 1.19 -0.11 -1.35 2.07 0.13 -1.12 116.25 117.65 1jf5 h VAL 310 Ca 0.08 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1jf5 h VAL 310 Cb 0.75 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1jf5 h VAL 310 CO 0.06 0.23 0.06 0.00 0.02 0.00 0.00 177.57 177.94 1jf5 h ALA 311 N 1.40 0.14 -0.51 1.67 0.00 -0.07 -2.92 119.26 118.97 1jf5 h ALA 311 Ca 0.39 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.33 1jf5 h ALA 311 Cb -0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1jf5 h ALA 311 CO -0.11 -0.32 0.09 0.00 0.00 0.00 0.00 179.25 178.91 1jf5 h ARG 312 N 0.08 0.22 -0.52 0.00 3.08 -0.43 0.18 114.38 116.99 1jf5 h ARG 312 Ca 0.04 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1jf5 h ARG 312 Cb 0.08 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1jf5 h ARG 312 CO -0.01 0.15 0.17 0.35 -1.07 0.00 0.00 179.97 179.56 1jf5 h PHE 313 N 0.23 0.29 0.00 3.04 3.04 -1.13 0.29 116.94 122.70 1jf5 h PHE 313 Ca 0.26 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.04 1jf5 h PHE 313 Cb 0.35 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1jf5 h PHE 313 CO -0.24 0.07 -0.87 -1.49 -2.02 0.00 0.00 178.31 173.76 1jf5 h TRP 314 N 0.33 0.23 0.00 0.41 4.06 -0.96 -2.66 115.95 117.36 1jf5 h TRP 314 Ca 0.26 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 61.00 1jf5 h TRP 314 Cb 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1jf5 h TRP 314 CO -0.18 0.95 -0.37 0.52 -3.56 0.00 0.00 178.44 175.79 1jf5 h MET 315 N 0.08 0.00 0.00 0.49 2.86 -0.07 -1.47 114.93 116.82 1jf5 h MET 315 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1jf5 h MET 315 Cb 1.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 1jf5 h MET 315 CO 0.13 0.37 -0.11 0.93 1.06 0.00 0.00 176.91 179.29 1jf5 h GLU 316 N 0.00 0.00 0.00 1.72 5.08 -0.09 0.14 114.58 121.44 1jf5 h GLU 316 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jf5 h GLU 316 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1jf5 h GLU 316 CO 0.05 0.11 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1jf5 n GLN 317 N -3.63 0.23 -0.11 2.33 1.13 -0.56 -4.92 117.38 111.85 1jf5 n GLN 317 Ca -0.02 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1jf5 n GLN 317 Cb 0.23 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1jf5 n GLN 317 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jf5 n GLY 318 N 1.17 0.94 3.71 1.08 0.00 0.50 -4.85 105.19 107.74 1jf5 n GLY 318 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1jf5 n GLY 318 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jf5 s ILE 319 N -2.00 2.74 -1.65 -0.61 -4.36 -1.23 -4.83 121.20 109.27 1jf5 s ILE 319 Ca 0.00 0.24 0.15 0.00 -0.26 0.00 0.00 60.65 60.78 1jf5 s ILE 319 Cb 0.00 -2.65 0.22 0.00 1.25 0.00 0.00 42.46 41.28 1jf5 s ILE 319 CO 0.00 -0.31 1.10 0.47 0.24 0.00 0.00 174.94 176.43 1jf5 n ASP 320 N -3.88 2.58 0.00 4.36 8.00 0.25 -4.90 116.55 122.96 1jf5 n ASP 320 Ca 0.08 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1jf5 n ASP 320 Cb 0.54 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1jf5 n ASP 320 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jf5 n GLY 321 N 0.84 1.39 3.32 0.44 0.00 -1.17 -1.06 105.19 108.96 1jf5 n GLY 321 Ca 0.11 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1jf5 n GLY 321 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jf5 s TRP 322 N -2.00 1.84 -0.24 1.61 0.52 0.15 -2.32 118.94 118.51 1jf5 s TRP 322 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 56.10 55.66 1jf5 s TRP 322 Cb 0.00 -0.95 0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1jf5 s TRP 322 CO 0.00 0.30 -0.07 0.50 0.02 0.00 0.00 176.95 177.70 1jf5 s ARG 323 N -2.50 2.91 0.20 4.98 3.00 -0.40 -1.00 118.95 126.14 1jf5 s ARG 323 Ca 0.13 -0.92 -0.24 0.00 -1.00 0.00 0.00 55.73 53.70 1jf5 s ARG 323 Cb -0.07 -2.96 -0.08 0.00 0.00 0.00 0.00 34.95 31.84 1jf5 s ARG 323 CO 0.06 -0.36 0.79 -0.51 0.00 0.00 0.00 175.30 175.28 1jf5 s LEU 324 N 1.34 4.51 -0.14 -0.88 1.43 0.25 0.71 118.68 125.90 1jf5 s LEU 324 Ca 0.01 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.70 1jf5 s LEU 324 Cb -0.16 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1jf5 s LEU 324 CO -0.05 0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.05 1jf5 s ASP 325 N -1.32 5.16 -1.70 2.29 -1.08 -0.33 -3.19 116.67 116.50 1jf5 s ASP 325 Ca 0.39 0.02 -0.17 0.00 -0.52 0.00 0.00 52.55 52.27 1jf5 s ASP 325 Cb -0.21 -1.73 0.15 0.00 -1.46 0.00 0.00 42.92 39.67 1jf5 s ASP 325 CO 0.25 0.24 0.72 0.52 0.52 0.00 0.00 175.17 177.42 1jf5 n VAL 326 N 3.07 -1.07 0.23 1.11 0.31 -1.26 -4.36 118.33 116.37 1jf5 n VAL 326 Ca -0.18 -0.06 0.06 0.00 -0.01 0.00 0.00 64.34 64.16 1jf5 n VAL 326 Cb 0.53 -1.61 0.56 0.00 -0.91 0.00 0.00 33.84 32.40 1jf5 n VAL 326 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jf5 h ALA 327 N 0.90 1.82 0.00 3.52 0.00 -1.76 -2.34 119.26 121.40 1jf5 h ALA 327 Ca -0.60 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1jf5 h ALA 327 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jf5 h ALA 327 CO 0.78 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.44 1jf5 n ASN 328 N -4.41 0.00 -0.54 0.00 6.94 -1.26 -2.31 115.26 113.66 1jf5 n ASN 328 Ca -0.03 -0.76 0.06 0.00 -0.02 0.00 0.00 54.58 53.83 1jf5 n ASN 328 Cb 0.18 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.70 1jf5 n ASN 328 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jf5 n GLU 329 N -0.84 1.70 -4.17 -3.83 1.02 -0.88 -4.96 120.64 108.69 1jf5 n GLU 329 Ca 0.09 -1.61 -0.31 0.00 -0.02 0.00 0.00 57.16 55.32 1jf5 n GLU 329 Cb 0.04 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 1jf5 n GLU 329 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1jf5 s VAL 330 N -0.97 4.01 0.64 2.62 -7.23 -0.98 -5.04 120.40 113.46 1jf5 s VAL 330 Ca 0.18 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 1jf5 s VAL 330 Cb 0.11 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1jf5 s VAL 330 CO 0.15 0.17 1.13 -0.90 -0.31 0.00 0.00 175.10 175.34 1jf5 n ASP 331 N 0.73 1.41 -0.19 4.85 5.75 -1.26 -4.88 116.55 122.96 1jf5 n ASP 331 Ca -0.11 0.80 -0.04 0.00 -0.01 0.00 0.00 54.79 55.43 1jf5 n ASP 331 Cb 0.52 -1.48 0.14 0.00 -1.03 0.00 0.00 41.12 39.27 1jf5 n ASP 331 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1jf5 h HIS 332 N 0.44 1.01 -0.44 2.11 3.86 -1.98 -2.21 115.15 117.94 1jf5 h HIS 332 Ca -0.50 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 58.70 1jf5 h HIS 332 Cb 1.35 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 29.45 1jf5 h HIS 332 CO 0.39 0.81 -0.00 0.00 0.86 0.00 0.00 177.93 179.99 1jf5 h ALA 333 N 1.26 0.40 -0.40 2.45 0.00 -1.99 0.12 119.26 121.10 1jf5 h ALA 333 Ca 0.21 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1jf5 h ALA 333 Cb 0.28 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1jf5 h ALA 333 CO -0.01 -0.39 0.02 0.35 0.00 0.00 0.00 179.25 179.23 1jf5 h PHE 334 N 0.11 0.02 -0.29 0.00 3.04 -1.73 -1.40 116.94 116.70 1jf5 h PHE 334 Ca 0.22 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 1jf5 h PHE 334 Cb 0.31 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1jf5 h PHE 334 CO -0.29 -0.05 -0.06 -1.49 -2.02 0.00 0.00 178.31 174.41 1jf5 h TRP 335 N 0.14 0.48 -0.47 0.41 -0.00 -0.58 0.48 115.95 116.41 1jf5 h TRP 335 Ca 0.20 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.89 58.95 1jf5 h TRP 335 Cb 0.27 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 1jf5 h TRP 335 CO -0.25 0.52 -0.02 0.00 -0.00 0.00 0.00 178.44 178.69 1jf5 h ARG 336 N 0.44 0.84 -0.12 0.49 3.08 0.20 -2.47 114.38 116.83 1jf5 h ARG 336 Ca 0.09 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 1jf5 h ARG 336 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1jf5 h ARG 336 CO 0.02 0.90 -0.53 0.93 -1.07 0.00 0.00 179.97 180.22 1jf5 h GLU 337 N 0.69 0.33 -0.45 0.04 5.08 -1.16 -2.49 114.58 116.61 1jf5 h GLU 337 Ca 0.13 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1jf5 h GLU 337 Cb 0.53 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1jf5 h GLU 337 CO 0.03 0.77 0.24 0.35 -1.00 0.00 0.00 179.01 179.40 1jf5 h PHE 338 N 0.26 0.44 -0.54 4.33 3.57 -0.69 -1.30 116.94 123.01 1jf5 h PHE 338 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jf5 h PHE 338 Cb 1.01 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1jf5 h PHE 338 CO 0.03 0.23 0.35 -0.09 -2.23 0.00 0.00 178.31 176.59 1jf5 h ARG 339 N 0.47 0.72 -0.62 1.11 2.43 -1.16 -0.05 114.38 117.28 1jf5 h ARG 339 Ca 0.19 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jf5 h ARG 339 Cb 0.09 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1jf5 h ARG 339 CO -0.13 0.49 0.33 -0.09 -1.51 0.00 0.00 179.97 179.06 1jf5 h ARG 340 N 0.73 0.87 0.92 0.20 2.43 -1.02 0.23 114.38 118.73 1jf5 h ARG 340 Ca 0.20 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jf5 h ARG 340 Cb -0.06 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1jf5 h ARG 340 CO -0.04 0.67 -0.44 1.25 -1.51 0.00 0.00 179.97 179.89 1jf5 h LEU 341 N 0.84 -1.05 -0.29 3.80 6.46 -0.92 -1.77 115.31 122.39 1jf5 h LEU 341 Ca 0.22 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1jf5 h LEU 341 Cb 0.06 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 1jf5 h LEU 341 CO -0.03 -0.70 -0.38 0.58 -0.62 0.00 0.00 178.44 177.28 1jf5 h VAL 342 N -1.33 0.18 0.00 1.05 2.07 -0.96 -1.25 116.25 116.01 1jf5 h VAL 342 Ca -0.13 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1jf5 h VAL 342 Cb 0.95 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1jf5 h VAL 342 CO 0.21 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 177.51 1jf5 h LYS 343 N -0.36 0.00 -0.09 1.57 1.79 -0.56 -0.60 116.57 118.32 1jf5 h LYS 343 Ca 0.12 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1jf5 h LYS 343 Cb 0.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1jf5 h LYS 343 CO -0.48 0.40 -0.32 0.66 -1.08 0.00 0.00 179.45 178.62 1jf5 h SER 344 N 0.00 0.18 0.08 0.86 4.64 -0.58 -2.36 113.55 116.37 1jf5 h SER 344 Ca -0.00 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 60.97 1jf5 h SER 344 Cb 0.72 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1jf5 h SER 344 CO 0.05 0.50 -1.17 -0.07 -0.87 0.00 0.00 176.83 175.27 1jf5 h LEU 345 N 0.16 0.90 -6.20 5.97 4.07 -0.53 -3.44 115.31 116.24 1jf5 h LEU 345 Ca 0.02 -0.78 -0.06 0.00 0.08 0.00 0.00 57.88 57.13 1jf5 h LEU 345 Cb 0.65 -0.28 -0.25 0.00 1.08 0.00 0.00 40.66 41.86 1jf5 h LEU 345 CO 0.05 1.59 -0.42 0.21 -1.08 0.00 0.00 178.44 178.78 1jf5 s ASN 346 N -7.38 -0.53 0.67 -0.43 3.04 -0.30 -5.01 114.94 104.99 1jf5 s ASN 346 Ca -0.10 0.19 0.38 0.00 0.04 0.00 0.00 52.86 53.37 1jf5 s ASN 346 Cb 0.06 1.57 2.05 0.00 -1.54 0.00 0.00 41.25 43.39 1jf5 s ASN 346 CO 0.93 -0.31 2.16 -0.65 -3.04 0.00 0.00 177.10 176.19 1jf5 h PRO 347 N 8.09 0.00 -0.70 0.43 0.11 -1.66 -0.55 132.00 137.72 1jf5 h PRO 347 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1jf5 h PRO 347 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jf5 h PRO 347 CO 0.24 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.78 1jf5 n ASP 348 N -3.01 4.07 -4.72 -2.05 9.92 -1.26 -4.61 116.55 114.89 1jf5 n ASP 348 Ca -0.02 -2.14 -0.42 0.00 -0.53 0.00 0.00 54.79 51.68 1jf5 n ASP 348 Cb 0.22 -0.51 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 1jf5 n ASP 348 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jf5 s ALA 349 N -1.30 3.23 -0.02 2.24 0.00 -0.21 -4.86 121.76 120.84 1jf5 s ALA 349 Ca 0.48 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1jf5 s ALA 349 Cb 0.27 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1jf5 s ALA 349 CO 0.30 -0.16 0.35 -1.17 0.00 0.00 0.00 175.76 175.08 1jf5 s LEU 350 N 0.45 4.44 -0.30 0.00 2.96 -0.23 -4.84 118.68 121.17 1jf5 s LEU 350 Ca 0.50 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.27 1jf5 s LEU 350 Cb -0.23 -2.53 0.08 0.00 0.50 0.00 0.00 46.19 44.01 1jf5 s LEU 350 CO 0.30 0.32 -0.01 -0.63 -1.32 0.00 0.00 176.35 175.01 1jf5 s ILE 351 N -1.11 1.98 -0.11 6.68 1.01 -1.26 0.35 121.20 128.73 1jf5 s ILE 351 Ca 0.23 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1jf5 s ILE 351 Cb -0.15 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1jf5 s ILE 351 CO 0.12 -0.36 -0.12 -0.69 0.00 0.00 0.00 174.94 173.89 1jf5 s VAL 352 N 1.11 3.19 0.40 2.92 1.01 -0.17 0.61 120.40 129.47 1jf5 s VAL 352 Ca 0.02 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1jf5 s VAL 352 Cb -0.19 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1jf5 s VAL 352 CO -0.09 0.54 0.29 -0.83 0.00 0.00 0.00 175.10 175.01 1jf5 s GLY 353 N 0.07 2.16 -0.38 4.51 0.00 -0.10 0.84 107.32 114.42 1jf5 s GLY 353 Ca -0.04 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.75 1jf5 s GLY 353 CO 0.04 -1.76 0.15 1.85 0.00 0.00 0.00 173.10 173.37 1jf5 s GLU 354 N -4.02 1.17 -0.09 2.90 2.12 -1.19 -2.10 118.70 117.49 1jf5 s GLU 354 Ca 0.44 -1.68 0.04 0.00 0.36 0.00 0.00 54.97 54.14 1jf5 s GLU 354 Cb -0.01 -2.47 -0.00 0.00 0.26 0.00 0.00 34.13 31.91 1jf5 s GLU 354 CO 0.26 -1.05 -0.23 0.42 -0.54 0.00 0.00 175.26 174.12 1jf5 s ILE 355 N 0.89 2.16 -0.36 -3.70 -1.09 -1.26 -4.28 121.20 113.56 1jf5 s ILE 355 Ca 0.13 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1jf5 s ILE 355 Cb -0.21 -1.81 0.42 0.00 -1.58 0.00 0.00 42.46 39.28 1jf5 s ILE 355 CO -0.11 0.56 1.75 0.79 -1.23 0.00 0.00 174.94 176.70 1jf5 n TRP 356 N 3.32 2.18 -3.82 3.97 5.03 -1.26 -4.88 117.44 121.98 1jf5 n TRP 356 Ca -0.18 -1.72 -0.07 0.00 3.03 0.00 0.00 57.50 58.55 1jf5 n TRP 356 Cb 0.53 -0.86 0.01 0.00 -1.03 0.00 0.00 31.31 29.96 1jf5 n TRP 356 CO 0.00 0.00 0.00 -3.38 -0.03 0.00 0.00 177.69 174.28 1jf5 s HIS 357 N -2.41 0.05 -0.39 -5.99 -3.43 -1.26 -5.09 115.29 96.77 1jf5 s HIS 357 Ca 0.41 -0.64 -0.40 0.00 -0.80 0.00 0.00 55.06 53.64 1jf5 s HIS 357 Cb 0.34 0.79 -0.15 0.00 -1.43 0.00 0.00 32.58 32.13 1jf5 s HIS 357 CO 0.05 -1.39 2.05 -3.47 -2.00 0.00 0.00 174.74 169.98 1jf5 n ASP 358 N -1.19 1.70 -1.89 7.38 -0.08 -1.26 -4.79 116.55 116.41 1jf5 n ASP 358 Ca -0.07 0.68 0.01 0.00 -1.51 0.00 0.00 54.79 53.90 1jf5 n ASP 358 Cb 0.60 -1.10 0.35 0.00 2.34 0.00 0.00 41.12 43.31 1jf5 n ASP 358 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jf5 n ALA 359 N 7.85 4.20 -0.26 -1.67 0.00 -1.26 -4.69 120.51 124.68 1jf5 n ALA 359 Ca 0.42 -2.17 0.02 0.00 0.00 0.00 0.00 53.44 51.71 1jf5 n ALA 359 Cb 0.11 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.55 1jf5 n ALA 359 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jf5 h SER 360 N 3.21 0.54 -0.00 0.00 4.64 -1.89 -1.83 113.55 118.21 1jf5 h SER 360 Ca 0.13 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jf5 h SER 360 Cb 2.14 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 64.19 1jf5 h SER 360 CO 0.60 0.30 0.03 1.23 -0.87 0.00 0.00 176.83 178.12 1jf5 h GLY 361 N 0.67 0.00 -0.86 -0.77 0.00 -1.99 0.31 103.07 100.43 1jf5 h GLY 361 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1jf5 h GLY 361 CO -0.27 0.00 -0.52 0.79 0.00 0.00 0.00 176.54 176.54 1jf5 n TRP 362 N -3.20 0.00 -1.71 5.60 8.01 -0.72 -4.46 117.44 120.97 1jf5 n TRP 362 Ca -0.03 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.97 1jf5 n TRP 362 Cb 0.10 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.49 1jf5 n TRP 362 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1jf5 n LEU 363 N -0.20 5.13 0.08 -0.99 4.77 0.11 -2.15 117.00 123.75 1jf5 n LEU 363 Ca 0.08 -4.35 0.12 0.00 -0.03 0.00 0.00 56.01 51.84 1jf5 n LEU 363 Cb 0.44 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1jf5 n LEU 363 CO 0.29 1.71 0.33 0.24 -1.33 0.00 0.00 177.39 178.63 1jf5 h MET 364 N 1.75 0.00 0.00 3.23 2.86 -1.77 -3.41 114.93 117.58 1jf5 h MET 364 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1jf5 h MET 364 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1jf5 h MET 364 CO 0.78 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.16 1jf5 n GLY 365 N 1.29 1.64 1.03 8.32 0.00 -1.26 -4.70 105.19 111.51 1jf5 n GLY 365 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1jf5 n GLY 365 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jf5 n ASP 366 N 0.00 3.41 0.00 1.61 5.75 -1.26 -4.72 116.55 121.34 1jf5 n ASP 366 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1jf5 n ASP 366 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1jf5 n ASP 366 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jf5 n GLN 367 N 1.20 0.00 -2.89 0.11 6.02 -1.26 -4.30 117.38 116.25 1jf5 n GLN 367 Ca 0.18 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.92 1jf5 n GLN 367 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1jf5 n GLN 367 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1jf5 s PHE 368 N 0.57 3.45 -0.07 1.08 2.99 -0.92 -4.75 117.98 120.34 1jf5 s PHE 368 Ca 0.00 0.55 0.14 0.00 0.00 0.00 0.00 56.93 57.62 1jf5 s PHE 368 Cb 0.00 -2.23 -0.14 0.00 0.00 0.00 0.00 43.02 40.66 1jf5 s PHE 368 CO 0.00 -0.23 0.98 -0.44 -0.00 0.00 0.00 175.22 175.53 1jf5 h ASP 369 N 0.37 0.00 -1.87 1.36 3.32 -0.15 -3.43 116.42 116.02 1jf5 h ASP 369 Ca -0.47 0.00 0.32 0.00 0.02 0.00 0.00 57.03 56.89 1jf5 h ASP 369 Cb 1.22 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 1jf5 h ASP 369 CO 0.61 0.74 0.82 -1.54 -1.72 0.00 0.00 179.24 178.15 1jf5 n SER 370 N -3.07 -1.02 -3.70 6.45 3.41 -1.17 -4.59 113.62 109.93 1jf5 n SER 370 Ca -0.08 -1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 57.21 1jf5 n SER 370 Cb 0.89 1.57 -0.08 0.00 -0.26 0.00 0.00 64.21 66.33 1jf5 n SER 370 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1jf5 s VAL 371 N -2.03 0.00 0.24 -3.33 -7.23 -1.26 -0.92 120.40 105.87 1jf5 s VAL 371 Ca 0.27 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 1jf5 s VAL 371 Cb -0.01 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 1jf5 s VAL 371 CO -0.01 0.00 1.30 -0.04 -0.31 0.00 0.00 175.10 176.04 1jf5 s MET 372 N -3.69 4.40 -1.33 4.82 -1.94 -0.89 -1.57 119.30 119.09 1jf5 s MET 372 Ca 0.37 2.09 -0.12 0.00 -1.71 0.00 0.00 55.69 56.32 1jf5 s MET 372 Cb 0.03 -3.16 0.12 0.00 2.01 0.00 0.00 34.83 33.84 1jf5 s MET 372 CO 0.20 -0.20 1.93 -1.71 -0.01 0.00 0.00 175.02 175.22 1jf5 n ASN 373 N 2.04 4.71 0.25 3.03 2.85 0.21 -4.78 115.26 123.58 1jf5 n ASN 373 Ca 0.04 -3.00 0.14 0.00 -0.11 0.00 0.00 54.58 51.65 1jf5 n ASN 373 Cb 0.43 -1.56 0.81 0.00 1.24 0.00 0.00 39.78 40.69 1jf5 n ASN 373 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1jf5 h TYR 374 N 6.09 0.00 -0.57 1.20 -0.00 -1.90 -0.93 116.97 120.87 1jf5 h TYR 374 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.13 1jf5 h TYR 374 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.38 1jf5 h TYR 374 CO 1.31 0.00 0.17 -0.07 -0.00 0.00 0.00 178.16 179.57 1jf5 h LEU 375 N 0.00 0.83 -0.48 0.10 4.07 -1.97 -1.73 115.31 116.13 1jf5 h LEU 375 Ca 0.03 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1jf5 h LEU 375 Cb 0.16 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1jf5 h LEU 375 CO -0.00 0.83 0.31 0.15 -1.08 0.00 0.00 178.44 178.65 1jf5 h PHE 376 N 0.80 0.60 -0.22 1.13 3.04 -1.55 -1.19 116.94 119.55 1jf5 h PHE 376 Ca 0.18 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 1jf5 h PHE 376 Cb 0.30 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1jf5 h PHE 376 CO 0.02 0.37 0.14 -0.09 -2.02 0.00 0.00 178.31 176.73 1jf5 h ARG 377 N 0.64 0.30 -0.32 1.11 2.43 -1.32 0.54 114.38 117.76 1jf5 h ARG 377 Ca 0.18 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1jf5 h ARG 377 Cb -0.06 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 1jf5 h ARG 377 CO -0.05 0.24 -0.01 0.93 -1.51 0.00 0.00 179.97 179.57 1jf5 h GLU 378 N 0.28 0.08 -0.31 0.20 5.08 -0.76 0.46 114.58 119.60 1jf5 h GLU 378 Ca 0.08 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1jf5 h GLU 378 Cb 0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jf5 h GLU 378 CO -0.02 0.05 -0.13 0.77 -1.00 0.00 0.00 179.01 178.69 1jf5 h SER 379 N 0.08 0.52 0.23 1.42 0.02 -1.01 -1.74 113.55 113.06 1jf5 h SER 379 Ca 0.15 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 1jf5 h SER 379 Cb 0.21 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1jf5 h SER 379 CO -0.27 0.68 -0.78 0.58 -1.14 0.00 0.00 176.83 175.91 1jf5 h VAL 380 N 0.50 1.37 0.44 2.27 2.07 0.55 -0.80 116.25 122.66 1jf5 h VAL 380 Ca 0.09 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 1jf5 h VAL 380 Cb 0.51 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1jf5 h VAL 380 CO 0.03 0.66 -0.21 0.40 0.02 0.00 0.00 177.57 178.47 1jf5 h ILE 381 N 0.30 0.53 0.00 4.57 1.08 0.17 -0.25 117.51 123.91 1jf5 h ILE 381 Ca -0.04 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1jf5 h ILE 381 Cb 1.37 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1jf5 h ILE 381 CO 0.14 0.05 -0.20 0.03 -0.69 0.00 0.00 178.15 177.48 1jf5 h ARG 382 N -0.78 0.00 0.00 2.37 3.08 -1.38 -0.30 114.38 117.37 1jf5 h ARG 382 Ca -0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1jf5 h ARG 382 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1jf5 h ARG 382 CO 0.10 0.20 -0.60 0.35 -1.07 0.00 0.00 179.97 178.94 1jf5 h PHE 383 N 0.00 0.00 0.11 3.04 3.57 -0.99 -0.02 116.94 122.65 1jf5 h PHE 383 Ca -0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1jf5 h PHE 383 Cb 0.53 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1jf5 h PHE 383 CO 0.00 0.49 -1.42 0.74 -2.23 0.00 0.00 178.31 175.89 1jf5 h PHE 384 N -1.00 0.42 0.00 0.41 -1.00 -1.13 -3.31 116.94 111.32 1jf5 h PHE 384 Ca -0.10 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1jf5 h PHE 384 Cb 0.69 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.23 1jf5 h PHE 384 CO -0.06 1.31 -0.11 0.00 -1.61 0.00 0.00 178.31 177.84 1jf5 h ALA 385 N 0.57 0.00 0.00 2.45 0.00 -1.06 -3.42 119.26 117.81 1jf5 h ALA 385 Ca -0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jf5 h ALA 385 Cb 1.99 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1jf5 h ALA 385 CO 0.17 0.11 -1.21 0.25 0.00 0.00 0.00 179.25 178.57 1jf5 n THR 386 N -3.51 0.52 -1.74 0.00 -2.24 -0.61 -4.64 114.28 102.05 1jf5 n THR 386 Ca -0.02 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1jf5 n THR 386 Cb 0.06 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 1jf5 n THR 386 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jf5 n GLY 387 N 1.20 0.77 0.26 3.38 0.00 -0.50 -4.88 105.19 105.43 1jf5 n GLY 387 Ca -0.01 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1jf5 n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jf5 h GLU 388 N 0.00 0.00 -6.37 1.61 5.08 -1.35 -3.43 114.58 110.12 1jf5 h GLU 388 Ca -0.30 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.47 1jf5 h GLU 388 Cb 1.03 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.07 1jf5 h GLU 388 CO 0.40 0.11 -0.83 0.96 -1.00 0.00 0.00 179.01 178.65 1jf5 s ILE 389 N -3.95 1.91 0.55 3.13 -4.36 -1.09 -5.05 121.20 112.33 1jf5 s ILE 389 Ca -0.01 -1.67 0.05 0.00 -0.26 0.00 0.00 60.65 58.75 1jf5 s ILE 389 Cb 0.12 -1.74 0.05 0.00 1.25 0.00 0.00 42.46 42.14 1jf5 s ILE 389 CO 0.57 -0.05 0.76 -1.38 0.24 0.00 0.00 174.94 175.08 1jf5 s HIS 390 N -1.25 2.33 0.33 1.37 -3.43 -1.26 -4.58 115.29 108.80 1jf5 s HIS 390 Ca 0.10 -0.31 0.09 0.00 -0.80 0.00 0.00 55.06 54.15 1jf5 s HIS 390 Cb -0.09 -2.58 0.85 0.00 -1.43 0.00 0.00 32.58 29.32 1jf5 s HIS 390 CO 0.05 -0.95 1.78 0.00 -2.00 0.00 0.00 174.74 173.63 1jf5 h ALA 391 N 0.15 1.83 -0.10 -1.38 0.00 -1.83 -0.15 119.26 117.78 1jf5 h ALA 391 Ca -0.38 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1jf5 h ALA 391 Cb 1.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jf5 h ALA 391 CO 0.46 -0.21 -0.69 0.93 0.00 0.00 0.00 179.25 179.74 1jf5 h GLU 392 N 0.65 0.45 -0.32 0.00 5.08 -1.89 -1.52 114.58 117.04 1jf5 h GLU 392 Ca 0.58 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1jf5 h GLU 392 Cb 1.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1jf5 h GLU 392 CO -0.36 0.98 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.45 1jf5 h ARG 393 N 0.31 0.62 -0.95 2.33 9.65 -1.68 -2.46 114.38 122.20 1jf5 h ARG 393 Ca -0.02 -0.24 0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1jf5 h ARG 393 Cb 1.26 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 29.73 1jf5 h ARG 393 CO 0.12 0.81 0.59 0.35 2.80 0.00 0.00 179.97 184.63 1jf5 h PHE 394 N 0.39 1.06 -0.68 2.20 3.04 -0.99 -0.70 116.94 121.25 1jf5 h PHE 394 Ca 0.08 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1jf5 h PHE 394 Cb 0.59 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1jf5 h PHE 394 CO 0.05 0.43 0.45 0.22 -2.02 0.00 0.00 178.31 177.44 1jf5 h ASP 395 N 0.94 0.76 0.12 0.41 -0.00 -0.99 -2.12 116.42 115.55 1jf5 h ASP 395 Ca 0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.48 1jf5 h ASP 395 Cb 0.44 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 1jf5 h ASP 395 CO -0.26 0.55 -0.06 0.00 -0.00 0.00 0.00 179.24 179.47 1jf5 h ALA 396 N 1.26 -0.16 -0.52 -0.78 0.00 -0.68 -1.07 119.26 117.31 1jf5 h ALA 396 Ca 0.26 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1jf5 h ALA 396 Cb -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1jf5 h ALA 396 CO -0.07 -0.48 0.29 0.93 0.00 0.00 0.00 179.25 179.92 1jf5 h GLU 397 N -0.38 0.55 -0.19 0.00 5.08 -1.39 0.26 114.58 118.51 1jf5 h GLU 397 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jf5 h GLU 397 Cb 0.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1jf5 h GLU 397 CO 0.03 0.36 0.12 -0.07 -1.00 0.00 0.00 179.01 178.45 1jf5 h LEU 398 N 0.56 0.21 -0.24 1.33 4.07 -1.37 -2.55 115.31 117.32 1jf5 h LEU 398 Ca 0.22 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 1jf5 h LEU 398 Cb 0.09 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1jf5 h LEU 398 CO -0.13 0.16 -0.09 0.74 -1.08 0.00 0.00 178.44 178.04 1jf5 h THR 399 N 0.25 1.29 -0.19 0.22 2.02 -0.62 -2.69 112.91 113.19 1jf5 h THR 399 Ca 0.07 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1jf5 h THR 399 Cb -0.03 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1jf5 h THR 399 CO -0.02 0.35 -0.07 -0.09 0.37 0.00 0.00 175.52 176.07 1jf5 h ARG 400 N 0.22 -0.03 -0.79 6.66 2.43 -0.48 -2.52 114.38 119.86 1jf5 h ARG 400 Ca 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1jf5 h ARG 400 Cb 0.57 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1jf5 h ARG 400 CO 0.03 -0.02 0.37 0.00 -1.51 0.00 0.00 179.97 178.84 1jf5 h ALA 401 N 1.15 1.15 -0.94 2.80 0.00 -1.50 -2.49 119.26 119.43 1jf5 h ALA 401 Ca 0.10 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1jf5 h ALA 401 Cb 0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1jf5 h ALA 401 CO -0.22 0.63 0.57 -0.09 0.00 0.00 0.00 179.25 180.15 1jf5 h ARG 402 N 1.13 0.85 -0.03 0.00 2.43 -1.10 0.28 114.38 117.94 1jf5 h ARG 402 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1jf5 h ARG 402 Cb 0.13 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jf5 h ARG 402 CO -0.03 0.56 0.00 -1.33 -1.51 0.00 0.00 179.97 177.66 1jf5 n MET 403 N -4.69 1.12 -0.02 0.20 2.81 -0.95 -4.03 117.12 111.55 1jf5 n MET 403 Ca 0.18 -0.18 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1jf5 n MET 403 Cb 0.37 -1.31 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 1jf5 n MET 403 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1jf5 h LEU 404 N 0.36 0.78 -9.32 4.03 4.07 -0.29 -3.47 115.31 111.47 1jf5 h LEU 404 Ca 0.00 -0.45 -0.50 0.00 0.08 0.00 0.00 57.88 57.00 1jf5 h LEU 404 Cb 0.08 -0.23 -0.14 0.00 1.08 0.00 0.00 40.66 41.46 1jf5 h LEU 404 CO 0.00 1.22 -0.58 -0.31 -1.08 0.00 0.00 178.44 177.69 1jf5 s TYR 405 N -3.92 1.92 0.53 1.13 1.51 -1.26 -4.80 117.35 112.46 1jf5 s TYR 405 Ca -0.09 -1.04 -0.22 0.00 -1.01 0.00 0.00 57.07 54.71 1jf5 s TYR 405 Cb 0.10 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 1jf5 s TYR 405 CO 0.87 -0.06 1.33 -2.14 -1.11 0.00 0.00 175.55 174.44 1jf5 s PRO 406 N -3.85 3.24 0.47 -1.71 0.02 -1.26 -4.61 135.00 127.30 1jf5 s PRO 406 Ca 0.32 2.17 0.28 0.00 0.02 0.00 0.00 61.00 63.79 1jf5 s PRO 406 Cb 0.07 -2.29 1.34 0.00 0.02 0.00 0.00 34.50 33.65 1jf5 s PRO 406 CO 0.15 -1.09 1.77 1.05 -0.33 0.00 0.00 177.00 178.55 1jf5 h GLU 407 N 1.56 0.18 -0.30 5.54 4.11 -1.93 0.89 114.58 124.63 1jf5 h GLU 407 Ca -0.51 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 58.87 1jf5 h GLU 407 Cb 1.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1jf5 h GLU 407 CO 0.58 0.12 -0.02 1.96 0.07 0.00 0.00 179.01 181.72 1jf5 h GLN 408 N 0.18 0.47 0.00 1.06 7.50 -1.93 -1.45 115.11 120.94 1jf5 h GLN 408 Ca 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 58.65 59.64 1jf5 h GLN 408 Cb 1.97 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 29.43 1jf5 h GLN 408 CO -0.17 0.51 -0.10 0.00 -1.50 0.00 0.00 178.83 177.57 1jf5 h ALA 409 N 1.54 0.02 -0.97 3.87 0.00 -1.12 -3.30 119.26 119.29 1jf5 h ALA 409 Ca 0.10 -0.42 0.27 0.00 0.00 0.00 0.00 54.91 54.85 1jf5 h ALA 409 Cb 0.32 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 1jf5 h ALA 409 CO 0.01 0.06 0.52 0.00 0.00 0.00 0.00 179.25 179.84 1jf5 h ALA 410 N -0.30 1.74 0.00 0.00 0.00 -1.12 0.39 119.26 119.96 1jf5 h ALA 410 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jf5 h ALA 410 Cb 0.76 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1jf5 h ALA 410 CO -0.01 -0.40 -0.11 0.37 0.00 0.00 0.00 179.25 179.10 1jf5 h GLN 411 N 0.43 0.00 -0.32 0.00 -0.00 -1.38 -3.09 115.11 110.75 1jf5 h GLN 411 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.30 1jf5 h GLN 411 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.82 1jf5 h GLN 411 CO -0.54 0.11 0.00 0.41 0.00 0.00 0.00 178.83 178.80 1jf5 n GLY 412 N -1.12 3.33 3.78 2.39 0.00 0.13 -3.57 105.19 110.13 1jf5 n GLY 412 Ca -0.03 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1jf5 n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jf5 s LEU 413 N -1.86 4.31 -0.46 0.99 1.02 -1.04 -4.37 118.68 117.27 1jf5 s LEU 413 Ca 0.33 2.96 -0.27 0.00 0.02 0.00 0.00 54.13 57.17 1jf5 s LEU 413 Cb 0.23 -3.70 0.03 0.00 0.02 0.00 0.00 46.19 42.77 1jf5 s LEU 413 CO 0.13 -0.85 1.04 0.26 0.02 0.00 0.00 176.35 176.95 1jf5 s TRP 414 N -1.14 2.88 -0.60 0.29 0.52 -0.61 0.04 118.94 120.31 1jf5 s TRP 414 Ca 0.53 0.58 -0.21 0.00 0.02 0.00 0.00 56.10 57.03 1jf5 s TRP 414 Cb -0.45 -4.20 0.08 0.00 -1.15 0.00 0.00 33.47 27.76 1jf5 s TRP 414 CO 0.60 -1.17 0.81 -0.80 0.02 0.00 0.00 176.95 176.41 1jf5 s ASN 415 N 2.34 6.19 0.19 2.95 0.01 0.38 0.67 114.94 127.67 1jf5 s ASN 415 Ca 0.43 -1.13 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1jf5 s ASN 415 Cb -0.09 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 1jf5 s ASN 415 CO 0.29 -1.22 0.33 -1.48 -1.51 0.00 0.00 177.10 173.50 1jf5 s LEU 416 N 3.29 4.30 -0.00 0.60 2.34 -1.26 -2.35 118.68 125.61 1jf5 s LEU 416 Ca 0.17 0.19 0.22 0.00 0.06 0.00 0.00 54.13 54.77 1jf5 s LEU 416 Cb -0.20 -2.95 -0.23 0.00 -0.56 0.00 0.00 46.19 42.24 1jf5 s LEU 416 CO 0.09 -0.01 0.72 0.18 -1.06 0.00 0.00 176.35 176.28 1jf5 n LEU 417 N -0.83 0.45 0.00 1.48 4.77 -1.26 -4.15 117.00 117.46 1jf5 n LEU 417 Ca -0.07 -0.15 0.01 0.00 -0.03 0.00 0.00 56.01 55.77 1jf5 n LEU 417 Cb 0.55 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1jf5 n LEU 417 CO 0.48 0.08 0.47 -0.90 -1.33 0.00 0.00 177.39 176.19 1jf5 n ASP 418 N -1.98 -0.53 -2.21 -1.43 5.68 -1.26 -4.55 116.55 110.28 1jf5 n ASP 418 Ca -0.00 -1.12 -0.07 0.00 -0.50 0.00 0.00 54.79 53.10 1jf5 n ASP 418 Cb 0.47 0.82 0.01 0.00 -1.14 0.00 0.00 41.12 41.28 1jf5 n ASP 418 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jf5 n SER 419 N -0.56 -1.42 0.00 -1.12 3.41 -1.26 -4.81 113.62 107.86 1jf5 n SER 419 Ca 0.02 -2.09 0.10 0.00 -0.26 0.00 0.00 58.87 56.63 1jf5 n SER 419 Cb 0.25 2.39 0.48 0.00 -0.26 0.00 0.00 64.21 67.07 1jf5 n SER 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jf5 n HIS 420 N -0.36 0.00 -0.29 7.33 1.44 -1.26 -2.56 115.22 119.52 1jf5 n HIS 420 Ca -0.05 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.73 1jf5 n HIS 420 Cb 0.39 -0.33 0.20 0.00 0.12 0.00 0.00 29.99 30.38 1jf5 n HIS 420 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1jf5 n ASP 421 N -1.33 3.29 -4.19 4.39 8.00 -1.26 -4.43 116.55 121.02 1jf5 n ASP 421 Ca 0.08 -2.09 -0.11 0.00 0.71 0.00 0.00 54.79 53.38 1jf5 n ASP 421 Cb 0.17 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 1jf5 n ASP 421 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jf5 s THR 422 N -1.16 0.06 0.69 -3.53 -4.23 -1.06 -4.64 115.64 101.77 1jf5 s THR 422 Ca 0.31 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1jf5 s THR 422 Cb 0.17 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1jf5 s THR 422 CO 0.19 -0.15 1.06 -1.83 -0.54 0.00 0.00 174.62 173.36 1jf5 s GLU 423 N -4.12 2.95 0.52 3.99 -1.05 -1.26 -4.21 118.70 115.52 1jf5 s GLU 423 Ca 0.34 0.98 -0.21 0.00 -0.15 0.00 0.00 54.97 55.93 1jf5 s GLU 423 Cb 0.07 -1.99 -0.06 0.00 -0.44 0.00 0.00 34.13 31.71 1jf5 s GLU 423 CO 0.09 -1.09 1.14 1.03 0.95 0.00 0.00 175.26 177.38 1jf5 s ARG 424 N -4.97 3.49 0.41 -4.83 0.52 -0.01 -4.65 118.95 108.91 1jf5 s ARG 424 Ca 0.58 1.67 0.11 0.00 -0.52 0.00 0.00 55.73 57.58 1jf5 s ARG 424 Cb -0.14 -2.14 0.86 0.00 0.52 0.00 0.00 34.95 34.04 1jf5 s ARG 424 CO 0.54 -0.75 1.95 0.35 0.02 0.00 0.00 175.30 177.40 1jf5 h PHE 425 N 1.48 0.18 -0.73 -0.53 3.57 -1.89 -2.18 116.94 116.84 1jf5 h PHE 425 Ca -0.50 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 1jf5 h PHE 425 Cb 1.26 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1jf5 h PHE 425 CO 0.52 0.31 0.37 1.25 -2.23 0.00 0.00 178.31 178.53 1jf5 h LEU 426 N 0.17 0.93 -0.69 0.59 6.46 -1.92 -0.91 115.31 119.94 1jf5 h LEU 426 Ca 0.04 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 1jf5 h LEU 426 Cb 0.34 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1jf5 h LEU 426 CO 0.02 0.79 0.22 0.74 -0.62 0.00 0.00 178.44 179.59 1jf5 h THR 427 N 1.01 1.25 0.00 1.05 2.02 -1.70 -0.02 112.91 116.52 1jf5 h THR 427 Ca 0.25 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1jf5 h THR 427 Cb 0.09 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1jf5 h THR 427 CO -0.04 0.34 -0.06 0.28 0.37 0.00 0.00 175.52 176.41 1jf5 h SER 428 N 1.01 0.00 -0.33 4.18 0.02 -0.95 1.42 113.55 118.91 1jf5 h SER 428 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1jf5 h SER 428 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1jf5 h SER 428 CO -0.01 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1jf5 n GLY 430 N 0.74 -0.50 2.58 0.00 0.00 0.49 0.03 105.19 108.52 1jf5 n GLY 430 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jf5 n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 431 N -0.97 1.47 3.60 -0.02 0.00 -0.27 -4.99 105.19 104.02 1jf5 n GLY 431 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1jf5 n GLY 431 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jf5 s ASN 432 N -3.23 6.16 0.55 1.61 3.84 0.10 -4.85 114.94 119.11 1jf5 s ASN 432 Ca 0.00 1.05 0.32 0.00 0.21 0.00 0.00 52.86 54.44 1jf5 s ASN 432 Cb 0.00 -2.53 1.52 0.00 -0.55 0.00 0.00 41.25 39.69 1jf5 s ASN 432 CO 0.00 -1.54 2.06 -0.08 -2.79 0.00 0.00 177.10 174.76 1jf5 h GLU 433 N 11.57 0.00 -0.14 0.43 4.81 -1.92 -2.09 114.58 127.24 1jf5 h GLU 433 Ca -0.30 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1jf5 h GLU 433 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1jf5 h GLU 433 CO 1.06 0.07 -0.17 0.00 -0.73 0.00 0.00 179.01 179.24 1jf5 h ALA 434 N 1.93 0.21 -0.73 2.92 0.00 -1.96 -0.05 119.26 121.57 1jf5 h ALA 434 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jf5 h ALA 434 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1jf5 h ALA 434 CO 0.01 0.11 0.40 0.87 0.00 0.00 0.00 179.25 180.64 1jf5 h LYS 435 N -0.03 1.02 0.05 0.00 1.57 -1.78 -1.36 116.57 116.04 1jf5 h LYS 435 Ca 0.02 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1jf5 h LYS 435 Cb 0.72 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jf5 h LYS 435 CO 0.04 0.76 -0.03 0.35 -0.57 0.00 0.00 179.45 180.01 1jf5 h PHE 436 N 1.01 -0.07 -0.59 -1.35 3.57 -1.33 -2.93 116.94 115.25 1jf5 h PHE 436 Ca 0.26 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1jf5 h PHE 436 Cb 0.04 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1jf5 h PHE 436 CO -0.00 0.06 0.35 0.00 -2.23 0.00 0.00 178.31 176.49 1jf5 h ARG 437 N -0.18 0.66 -0.60 1.11 3.08 -0.73 -2.16 114.38 115.56 1jf5 h ARG 437 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jf5 h ARG 437 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1jf5 h ARG 437 CO 0.01 0.44 0.36 1.25 -1.07 0.00 0.00 179.97 180.96 1jf5 h LEU 438 N 0.68 0.71 -0.56 3.04 5.85 -1.22 -1.56 115.31 122.25 1jf5 h LEU 438 Ca 0.25 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1jf5 h LEU 438 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1jf5 h LEU 438 CO -0.12 0.55 0.09 0.00 -0.34 0.00 0.00 178.44 178.62 1jf5 h ALA 439 N 1.57 0.75 -0.53 1.25 0.00 -1.21 -2.45 119.26 118.64 1jf5 h ALA 439 Ca 0.22 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jf5 h ALA 439 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jf5 h ALA 439 CO -0.04 0.49 0.15 0.28 0.00 0.00 0.00 179.25 180.13 1jf5 h VAL 440 N 0.83 1.21 -0.53 0.00 2.07 -1.04 0.26 116.25 119.05 1jf5 h VAL 440 Ca 0.17 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1jf5 h VAL 440 Cb 0.42 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jf5 h VAL 440 CO 0.01 0.28 0.23 0.25 0.02 0.00 0.00 177.57 178.36 1jf5 h LEU 441 N 0.77 0.72 -0.09 2.57 6.46 -0.97 0.40 115.31 125.17 1jf5 h LEU 441 Ca 0.17 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1jf5 h LEU 441 Cb 0.25 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1jf5 h LEU 441 CO -0.01 0.67 -0.03 0.15 -0.62 0.00 0.00 178.44 178.61 1jf5 h PHE 442 N 0.71 0.19 -0.63 1.25 3.04 -0.97 -2.52 116.94 118.02 1jf5 h PHE 442 Ca 0.18 -0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.15 1jf5 h PHE 442 Cb 0.17 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.57 1jf5 h PHE 442 CO 0.00 0.50 0.31 0.37 -2.02 0.00 0.00 178.31 177.47 1jf5 h GLN 443 N -0.17 0.56 0.00 1.11 4.15 -0.27 0.10 115.11 120.59 1jf5 h GLN 443 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1jf5 h GLN 443 Cb 0.44 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1jf5 h GLN 443 CO 0.01 0.37 0.00 -1.33 -1.93 0.00 0.00 178.83 175.95 1jf5 n MET 444 N -4.86 0.56 0.00 1.69 2.81 0.14 -3.52 117.12 113.93 1jf5 n MET 444 Ca 0.08 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1jf5 n MET 444 Cb 0.20 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1jf5 n MET 444 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jf5 n THR 445 N -1.14 0.00 -2.14 2.03 -2.24 -0.41 -4.72 114.28 105.66 1jf5 n THR 445 Ca 0.15 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 1jf5 n THR 445 Cb 0.13 1.09 0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1jf5 n THR 445 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jf5 s TYR 446 N -0.49 2.47 -0.26 4.78 5.04 0.23 -4.85 117.35 124.26 1jf5 s TYR 446 Ca 0.00 0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 54.71 1jf5 s TYR 446 Cb 0.00 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1jf5 s TYR 446 CO 0.00 -1.77 1.24 -1.17 -1.34 0.00 0.00 175.55 172.50 1jf5 s LEU 447 N -5.42 3.98 0.00 6.97 2.96 -1.26 -4.86 118.68 121.05 1jf5 s LEU 447 Ca 0.64 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1jf5 s LEU 447 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1jf5 s LEU 447 CO 0.47 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 175.18 1jf5 n GLY 448 N 3.98 0.97 3.53 7.98 0.00 -1.23 -4.86 105.19 115.56 1jf5 n GLY 448 Ca 0.14 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1jf5 n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf5 s THR 449 N -1.11 5.25 0.29 2.61 2.01 0.11 -4.90 115.64 119.89 1jf5 s THR 449 Ca 0.00 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1jf5 s THR 449 Cb 0.00 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 1jf5 s THR 449 CO 0.00 -0.04 1.48 -2.84 -0.69 0.00 0.00 174.62 172.53 1jf5 s PRO 450 N 1.81 4.21 -0.22 4.92 0.02 -1.26 -0.47 135.00 144.01 1jf5 s PRO 450 Ca 0.08 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1jf5 s PRO 450 Cb -0.17 -3.06 0.06 0.00 0.02 0.00 0.00 34.50 31.34 1jf5 s PRO 450 CO 0.11 -0.48 -0.06 -1.17 -0.33 0.00 0.00 177.00 175.08 1jf5 s LEU 451 N -0.75 2.36 -0.17 -5.54 2.96 -0.99 -1.36 118.68 115.19 1jf5 s LEU 451 Ca 0.59 -1.07 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 1jf5 s LEU 451 Cb -0.44 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1jf5 s LEU 451 CO 0.48 -0.22 0.46 -0.63 -1.32 0.00 0.00 176.35 175.12 1jf5 s ILE 452 N 1.44 5.17 -0.02 6.68 1.01 0.14 -4.15 121.20 131.47 1jf5 s ILE 452 Ca -0.04 0.87 -0.25 0.00 0.00 0.00 0.00 60.65 61.23 1jf5 s ILE 452 Cb -0.18 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1jf5 s ILE 452 CO -0.07 0.26 0.77 -0.47 0.00 0.00 0.00 174.94 175.44 1jf5 s TYR 453 N 1.12 3.64 -0.19 3.97 5.04 -1.26 -0.26 117.35 129.41 1jf5 s TYR 453 Ca 0.23 1.40 -0.40 0.00 -2.44 0.00 0.00 57.07 55.86 1jf5 s TYR 453 Cb -0.15 -2.87 -0.17 0.00 0.35 0.00 0.00 41.96 39.12 1jf5 s TYR 453 CO 0.09 0.13 1.55 2.48 -1.34 0.00 0.00 175.55 178.46 1jf5 n TYR 454 N 3.50 1.73 0.00 4.97 0.18 -1.05 -1.21 117.16 125.29 1jf5 n TYR 454 Ca -0.00 0.70 0.00 0.00 1.88 0.00 0.00 57.90 60.48 1jf5 n TYR 454 Cb 0.51 -2.36 0.00 0.00 -0.38 0.00 0.00 39.34 37.11 1jf5 n TYR 454 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jf5 n GLY 455 N 3.47 3.10 0.36 -7.48 0.00 -1.26 -4.88 105.19 98.50 1jf5 n GLY 455 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1jf5 n GLY 455 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jf5 h ASP 456 N 0.00 0.49 0.20 1.61 3.32 -1.47 0.50 116.42 121.07 1jf5 h ASP 456 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1jf5 h ASP 456 Cb 0.00 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1jf5 h ASP 456 CO 0.00 0.30 -0.04 1.05 -1.72 0.00 0.00 179.24 178.83 1jf5 h GLU 457 N 0.55 0.00 -0.32 3.56 9.09 -1.90 -2.01 114.58 123.55 1jf5 h GLU 457 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1jf5 h GLU 457 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1jf5 h GLU 457 CO -0.10 0.04 0.00 0.44 0.05 0.00 0.00 179.01 179.44 1jf5 n ILE 458 N -3.50 1.85 -2.43 -1.06 -5.35 0.12 -1.19 119.36 107.80 1jf5 n ILE 458 Ca -0.02 -1.54 -0.01 0.00 -0.27 0.00 0.00 62.75 60.91 1jf5 n ILE 458 Cb 0.15 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1jf5 n ILE 458 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jf5 n GLY 459 N -0.05 0.79 3.80 3.28 0.00 -0.76 -1.04 105.19 111.21 1jf5 n GLY 459 Ca 0.18 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1jf5 n GLY 459 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jf5 s MET 460 N -4.84 3.08 0.25 1.61 1.75 -0.95 -4.94 119.30 115.26 1jf5 s MET 460 Ca 0.02 1.19 0.01 0.00 -1.25 0.00 0.00 55.69 55.66 1jf5 s MET 460 Cb -0.01 -2.00 -0.04 0.00 2.84 0.00 0.00 34.83 35.62 1jf5 s MET 460 CO 0.02 -1.00 0.13 0.00 -0.65 0.00 0.00 175.02 173.52 1jf5 s ALA 461 N -2.57 1.56 0.00 4.11 0.00 -1.26 -4.74 121.76 118.86 1jf5 s ALA 461 Ca 0.63 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1jf5 s ALA 461 Cb -0.16 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.19 1jf5 s ALA 461 CO 0.42 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1jf5 n GLY 462 N -0.42 3.72 2.99 0.00 0.00 -1.26 -4.83 105.19 105.39 1jf5 n GLY 462 Ca 0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1jf5 n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf5 n ALA 463 N -1.10 -1.39 -0.40 4.61 0.00 -1.26 -0.83 120.51 120.14 1jf5 n ALA 463 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 53.44 51.80 1jf5 n ALA 463 Cb 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 19.45 19.66 1jf5 n ALA 463 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jf5 s THR 464 N -3.19 1.72 -0.01 0.00 -1.32 -1.26 -0.86 115.64 110.73 1jf5 s THR 464 Ca 0.59 0.00 -0.40 0.00 -1.21 0.00 0.00 61.69 60.67 1jf5 s THR 464 Cb -0.02 -2.01 -0.19 0.00 -1.51 0.00 0.00 72.50 68.77 1jf5 s THR 464 CO 0.42 0.00 1.14 -0.67 -2.21 0.00 0.00 174.62 173.30 1jf5 n ASP 465 N -5.31 0.33 -1.03 8.08 2.03 -1.26 -1.27 116.55 118.12 1jf5 n ASP 465 Ca 0.05 1.15 0.12 0.00 0.52 0.00 0.00 54.79 56.64 1jf5 n ASP 465 Cb 0.56 -0.96 0.20 0.00 -0.72 0.00 0.00 41.12 40.19 1jf5 n ASP 465 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jf5 n PRO 466 N 1.82 2.38 0.19 -0.67 -0.04 -1.26 -4.90 135.00 132.51 1jf5 n PRO 466 Ca 0.20 -2.05 0.14 0.00 -0.04 0.00 0.00 63.50 61.75 1jf5 n PRO 466 Cb 0.09 -1.49 0.64 0.00 -0.04 0.00 0.00 33.50 32.70 1jf5 n PRO 466 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1jf5 h ASP 467 N 4.36 0.00 0.53 3.54 -0.00 -1.30 -0.85 116.42 122.71 1jf5 h ASP 467 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1jf5 h ASP 467 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 1jf5 h ASP 467 CO 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 179.24 179.03 1jf5 n ARG 469 N -1.20 2.86 -1.82 0.00 1.74 -0.32 -4.95 116.66 112.97 1jf5 n ARG 469 Ca 0.10 -3.46 -0.32 0.00 -0.77 0.00 0.00 57.85 53.40 1jf5 n ARG 469 Cb 0.31 -2.28 0.03 0.00 -1.02 0.00 0.00 32.46 29.50 1jf5 n ARG 469 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jf5 s ARG 470 N -3.77 3.10 0.17 5.56 0.52 -1.25 -4.85 118.95 118.43 1jf5 s ARG 470 Ca 0.62 1.12 -0.31 0.00 -0.52 0.00 0.00 55.73 56.64 1jf5 s ARG 470 Cb 0.49 -2.01 -0.10 0.00 0.52 0.00 0.00 34.95 33.86 1jf5 s ARG 470 CO 0.00 -0.98 1.49 -1.25 0.02 0.00 0.00 175.30 174.58 1jf5 s PRO 471 N -4.48 4.26 0.13 3.54 0.04 -1.26 -4.91 135.00 132.31 1jf5 s PRO 471 Ca 0.61 2.27 -0.35 0.00 0.04 0.00 0.00 61.00 63.58 1jf5 s PRO 471 Cb -0.15 -3.17 -0.16 0.00 0.04 0.00 0.00 34.50 31.06 1jf5 s PRO 471 CO 0.45 -0.51 1.28 -0.12 0.04 0.00 0.00 177.00 178.13 1jf5 n MET 472 N 3.54 1.19 -2.69 4.56 0.00 -0.59 -4.89 117.12 118.25 1jf5 n MET 472 Ca 0.11 0.43 -0.43 0.00 -0.00 0.00 0.00 57.70 57.81 1jf5 n MET 472 Cb 0.40 -2.02 -0.03 0.00 0.00 0.00 0.00 33.22 31.58 1jf5 n MET 472 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1jf5 s ILE 473 N 0.21 4.43 -0.04 1.12 1.01 -1.26 -4.89 121.20 121.78 1jf5 s ILE 473 Ca 0.79 1.32 0.20 0.00 0.00 0.00 0.00 60.65 62.96 1jf5 s ILE 473 Cb -0.90 -4.45 -0.30 0.00 0.01 0.00 0.00 42.46 36.81 1jf5 s ILE 473 CO 0.49 -0.70 0.41 0.79 0.00 0.00 0.00 174.94 175.93 1jf5 n TRP 474 N 7.18 0.00 -2.00 3.97 7.02 -1.26 -4.86 117.44 127.50 1jf5 n TRP 474 Ca 0.10 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.15 1jf5 n TRP 474 Cb 0.48 -0.47 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 1jf5 n TRP 474 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1jf5 s GLU 475 N -3.31 3.30 0.33 -0.99 2.12 -1.26 -4.89 118.70 114.00 1jf5 s GLU 475 Ca -0.07 1.40 0.11 0.00 0.36 0.00 0.00 54.97 56.77 1jf5 s GLU 475 Cb 0.12 -4.21 0.99 0.00 0.26 0.00 0.00 34.13 31.30 1jf5 s GLU 475 CO 0.81 -1.89 1.66 1.49 -0.54 0.00 0.00 175.26 176.79 1jf5 h GLU 476 N 12.97 0.29 0.00 4.30 4.81 -1.94 0.40 114.58 135.42 1jf5 h GLU 476 Ca -0.33 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1jf5 h GLU 476 Cb 1.17 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1jf5 h GLU 476 CO 1.04 0.19 -0.17 0.87 -0.73 0.00 0.00 179.01 180.21 1jf5 h LYS 477 N 0.30 0.00 -0.09 1.92 1.57 -2.01 -2.11 116.57 116.14 1jf5 h LYS 477 Ca 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.47 1jf5 h LYS 477 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1jf5 h LYS 477 CO -0.62 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 178.82 1jf5 n GLU 478 N -3.68 1.95 -3.98 3.15 -0.58 0.14 -4.92 120.64 112.72 1jf5 n GLU 478 Ca -0.02 -1.39 -0.23 0.00 -0.42 0.00 0.00 57.16 55.10 1jf5 n GLU 478 Cb 0.29 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1jf5 n GLU 478 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1jf5 s GLN 479 N -1.90 3.36 -1.08 3.49 -0.21 -0.80 -4.96 119.66 117.55 1jf5 s GLN 479 Ca 0.34 -0.75 -0.13 0.00 0.02 0.00 0.00 55.36 54.84 1jf5 s GLN 479 Cb 0.20 -2.86 0.21 0.00 1.00 0.00 0.00 33.01 31.56 1jf5 s GLN 479 CO 0.31 0.45 1.18 1.21 -2.12 0.00 0.00 175.29 176.33 1jf5 s ASN 480 N -3.72 7.05 0.62 5.90 3.84 -0.21 -4.83 114.94 123.59 1jf5 s ASN 480 Ca 0.34 -3.01 0.40 0.00 0.21 0.00 0.00 52.86 50.80 1jf5 s ASN 480 Cb -0.09 -2.31 2.03 0.00 -0.55 0.00 0.00 41.25 40.32 1jf5 s ASN 480 CO 0.28 -0.62 2.22 0.03 -2.79 0.00 0.00 177.10 176.23 1jf5 h ARG 481 N 7.34 0.00 0.03 0.43 2.47 -1.86 -1.12 114.38 121.66 1jf5 h ARG 481 Ca 0.22 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1jf5 h ARG 481 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1jf5 h ARG 481 CO 1.07 0.00 -0.01 0.78 0.56 0.00 0.00 179.97 182.37 1jf5 h GLY 482 N 0.75 -0.04 0.86 0.04 0.00 -1.94 -0.13 103.07 102.62 1jf5 h GLY 482 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1jf5 h GLY 482 CO 0.00 -0.01 -0.05 -2.00 0.00 0.00 0.00 176.54 174.47 1jf5 h LEU 483 N -0.38 -0.16 -0.44 3.11 6.46 -1.49 -0.87 115.31 121.55 1jf5 h LEU 483 Ca -0.00 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1jf5 h LEU 483 Cb 0.36 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 1jf5 h LEU 483 CO 0.01 -0.08 -0.07 0.15 -0.62 0.00 0.00 178.44 177.83 1jf5 h PHE 484 N -0.10 -0.15 0.00 1.25 3.04 -0.22 0.20 116.94 120.96 1jf5 h PHE 484 Ca 0.02 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1jf5 h PHE 484 Cb 0.12 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1jf5 h PHE 484 CO -0.13 -0.15 -0.18 0.93 -2.02 0.00 0.00 178.31 176.76 1jf5 h GLU 485 N 0.04 0.00 0.27 1.11 4.39 -0.47 -1.32 114.58 118.60 1jf5 h GLU 485 Ca 0.21 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1jf5 h GLU 485 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1jf5 h GLU 485 CO -0.42 0.18 -0.13 0.35 -1.16 0.00 0.00 179.01 177.83 1jf5 h PHE 486 N 0.00 -0.34 -0.50 4.33 -0.00 0.75 -1.51 116.94 119.66 1jf5 h PHE 486 Ca -0.00 -0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.03 1jf5 h PHE 486 Cb 0.36 0.11 -0.06 0.00 -0.00 0.00 0.00 35.95 36.36 1jf5 h PHE 486 CO 0.00 -0.05 0.18 1.88 -0.00 0.00 0.00 178.31 180.32 1jf5 h TYR 487 N -0.62 0.31 -0.56 0.41 -1.99 -0.62 -1.28 116.97 112.61 1jf5 h TYR 487 Ca -0.04 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.81 1jf5 h TYR 487 Cb 0.45 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 39.04 1jf5 h TYR 487 CO 0.01 0.10 0.17 0.87 -0.00 0.00 0.00 178.16 179.31 1jf5 h LYS 488 N 0.35 0.32 -0.17 4.88 1.57 -1.10 0.51 116.57 122.93 1jf5 h LYS 488 Ca 0.24 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1jf5 h LYS 488 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1jf5 h LYS 488 CO -0.25 0.21 -0.00 1.49 -0.57 0.00 0.00 179.45 180.33 1jf5 h GLU 489 N 0.33 0.31 -0.65 3.15 4.81 -0.61 0.15 114.58 122.06 1jf5 h GLU 489 Ca 0.29 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1jf5 h GLU 489 Cb 0.37 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1jf5 h GLU 489 CO -0.32 0.52 0.32 -0.07 -0.73 0.00 0.00 179.01 178.73 1jf5 h LEU 490 N 0.05 0.85 -0.91 1.64 3.38 -0.88 0.60 115.31 120.03 1jf5 h LEU 490 Ca 0.05 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1jf5 h LEU 490 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1jf5 h LEU 490 CO 0.01 0.73 0.19 0.40 0.09 0.00 0.00 178.44 179.86 1jf5 h ILE 491 N 0.90 1.24 -0.36 1.22 2.04 0.15 -1.35 117.51 121.35 1jf5 h ILE 491 Ca 0.22 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 1jf5 h ILE 491 Cb 0.10 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1jf5 h ILE 491 CO -0.03 0.33 -0.16 0.03 0.00 0.00 0.00 178.15 178.32 1jf5 h ARG 492 N 0.95 0.74 -0.64 2.37 3.08 -0.56 -2.90 114.38 117.41 1jf5 h ARG 492 Ca 0.21 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1jf5 h ARG 492 Cb 0.29 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1jf5 h ARG 492 CO -0.01 0.93 0.42 -0.07 -1.07 0.00 0.00 179.97 180.17 1jf5 h LEU 493 N 0.53 0.74 -1.90 3.04 3.38 -0.43 -1.76 115.31 118.91 1jf5 h LEU 493 Ca 0.08 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1jf5 h LEU 493 Cb 0.70 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jf5 h LEU 493 CO 0.05 0.54 0.16 -0.09 0.09 0.00 0.00 178.44 179.19 1jf5 h ARG 494 N 0.87 0.13 0.01 1.13 2.43 -1.20 -1.16 114.38 116.59 1jf5 h ARG 494 Ca 0.24 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 1jf5 h ARG 494 Cb -0.09 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1jf5 h ARG 494 CO -0.05 0.09 -0.90 0.45 -1.51 0.00 0.00 179.97 178.05 1jf5 h HIS 495 N 0.13 0.06 0.00 2.20 3.86 -1.12 -3.34 115.15 116.94 1jf5 h HIS 495 Ca 0.10 -0.04 -0.23 0.00 -1.16 0.00 0.00 60.37 59.04 1jf5 h HIS 495 Cb 0.23 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1jf5 h HIS 495 CO -0.00 0.91 -1.22 0.00 0.86 0.00 0.00 177.93 178.49 1jf5 h ARG 496 N 0.02 0.00 -4.78 2.45 3.08 -0.91 -3.42 114.38 110.83 1jf5 h ARG 496 Ca -0.02 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.34 1jf5 h ARG 496 Cb 1.57 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.43 1jf5 h ARG 496 CO 0.12 0.83 0.16 -0.51 -1.07 0.00 0.00 179.97 179.51 1jf5 s LEU 497 N -6.51 5.27 0.55 3.04 1.43 -0.54 -4.89 118.68 117.03 1jf5 s LEU 497 Ca -0.01 -1.38 0.28 0.00 -1.03 0.00 0.00 54.13 52.00 1jf5 s LEU 497 Cb 0.09 -2.32 1.46 0.00 0.03 0.00 0.00 46.19 45.46 1jf5 s LEU 497 CO 0.82 -1.15 1.95 0.00 0.23 0.00 0.00 176.35 178.20 1jf5 h ALA 498 N 9.23 2.44 -0.90 4.21 0.00 -1.83 -0.52 119.26 131.89 1jf5 h ALA 498 Ca -0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1jf5 h ALA 498 Cb 1.09 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1jf5 h ALA 498 CO 1.11 -0.76 0.49 0.77 0.00 0.00 0.00 179.25 180.85 1jf5 h SER 499 N 0.00 1.13 0.41 0.00 0.02 -1.90 -0.02 113.55 113.19 1jf5 h SER 499 Ca 0.27 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1jf5 h SER 499 Cb 1.20 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1jf5 h SER 499 CO -0.00 0.91 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.51 1jf5 h LEU 500 N 1.26 0.00 0.00 5.07 3.38 -1.38 0.16 115.31 123.80 1jf5 h LEU 500 Ca 0.31 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 1jf5 h LEU 500 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1jf5 h LEU 500 CO -0.05 0.01 -1.73 0.35 0.09 0.00 0.00 178.44 177.12 1jf5 n THR 501 N -3.16 0.73 -0.52 0.22 -2.24 -0.93 -4.76 114.28 103.61 1jf5 n THR 501 Ca -0.02 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1jf5 n THR 501 Cb 0.17 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 67.57 1jf5 n THR 501 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jf5 n ARG 502 N -2.85 2.39 -3.84 -0.78 1.74 -0.07 -4.72 116.66 108.53 1jf5 n ARG 502 Ca -0.22 -2.13 -0.22 0.00 -0.77 0.00 0.00 57.85 54.50 1jf5 n ARG 502 Cb 0.74 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.84 1jf5 n ARG 502 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jf5 s GLY 503 N -1.76 1.32 0.51 -0.13 0.00 0.55 -4.85 107.32 102.96 1jf5 s GLY 503 Ca 0.20 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.71 1jf5 s GLY 503 CO 0.05 -1.12 0.70 1.16 0.00 0.00 0.00 173.10 173.88 1jf5 n ASN 504 N -1.35 0.10 -4.01 1.64 2.04 -0.90 -4.66 115.26 108.12 1jf5 n ASN 504 Ca -0.08 -1.28 -0.19 0.00 -0.44 0.00 0.00 54.58 52.59 1jf5 n ASN 504 Cb 0.56 -0.53 -0.15 0.00 -2.53 0.00 0.00 39.78 37.13 1jf5 n ASN 504 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1jf5 s VAL 505 N -2.48 0.73 -0.03 3.53 1.01 -1.26 -2.89 120.40 119.00 1jf5 s VAL 505 Ca 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1jf5 s VAL 505 Cb -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1jf5 s VAL 505 CO 0.28 0.22 0.07 -0.13 0.00 0.00 0.00 175.10 175.53 1jf5 s ARG 506 N -0.02 0.05 0.26 2.72 1.81 -0.97 -4.97 118.95 117.83 1jf5 s ARG 506 Ca 0.00 0.15 -0.29 0.00 -1.72 0.00 0.00 55.73 53.87 1jf5 s ARG 506 Cb -0.06 -0.07 -0.09 0.00 -0.45 0.00 0.00 34.95 34.28 1jf5 s ARG 506 CO -0.00 -0.07 1.22 -1.12 -0.68 0.00 0.00 175.30 174.65 1jf5 s SER 507 N 0.45 7.01 -0.15 0.23 0.01 -1.26 -1.37 113.70 118.62 1jf5 s SER 507 Ca -0.04 2.42 0.01 0.00 1.31 0.00 0.00 55.95 59.66 1jf5 s SER 507 Cb -0.05 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1jf5 s SER 507 CO -0.02 -0.37 -0.13 1.87 0.41 0.00 0.00 173.24 175.00 1jf5 n TRP 508 N 1.56 0.00 -3.65 2.43 -0.00 0.31 -4.86 117.44 113.24 1jf5 n TRP 508 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.39 1jf5 n TRP 508 Cb 0.43 -0.58 -0.08 0.00 -0.00 0.00 0.00 31.31 31.09 1jf5 n TRP 508 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1jf5 s HIS 509 N -2.30 -0.77 -0.10 5.87 2.46 -1.02 -4.84 115.29 114.60 1jf5 s HIS 509 Ca -0.20 1.81 -0.03 0.00 0.47 0.00 0.00 55.06 57.10 1jf5 s HIS 509 Cb 0.05 0.30 0.05 0.00 -0.13 0.00 0.00 32.58 32.85 1jf5 s HIS 509 CO 0.34 -0.37 0.10 0.00 -2.47 0.00 0.00 174.74 172.34 1jf5 s ALA 510 N 0.56 0.16 -0.30 1.58 0.00 -1.26 -1.39 121.76 121.11 1jf5 s ALA 510 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1jf5 s ALA 510 Cb -0.05 -0.82 0.09 0.00 0.00 0.00 0.00 23.12 22.34 1jf5 s ALA 510 CO -0.02 -0.73 0.03 0.34 0.00 0.00 0.00 175.76 175.37 1jf5 s ASP 511 N 2.20 4.33 0.47 0.00 -1.08 -0.94 -4.87 116.67 116.78 1jf5 s ASP 511 Ca 0.04 -1.75 0.13 0.00 -0.52 0.00 0.00 52.55 50.45 1jf5 s ASP 511 Cb -0.13 -1.30 1.08 0.00 -1.46 0.00 0.00 42.92 41.11 1jf5 s ASP 511 CO -0.06 -0.35 2.09 0.07 0.52 0.00 0.00 175.17 177.44 1jf5 h LYS 512 N 7.84 0.17 0.04 4.34 2.10 -1.92 0.39 116.57 129.51 1jf5 h LYS 512 Ca -0.11 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.46 1jf5 h LYS 512 Cb 1.03 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1jf5 h LYS 512 CO 0.48 0.15 -0.27 0.37 -2.00 0.00 0.00 179.45 178.18 1jf5 h GLN 513 N 0.17 0.12 0.00 0.07 5.75 -1.97 -3.32 115.11 115.93 1jf5 h GLN 513 Ca 0.04 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1jf5 h GLN 513 Cb 0.06 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1jf5 h GLN 513 CO -0.00 1.03 0.00 0.00 -2.65 0.00 0.00 178.83 177.21 1jf5 h ALA 514 N 0.10 1.00 -5.86 3.38 0.00 -1.96 -3.47 119.26 112.45 1jf5 h ALA 514 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1jf5 h ALA 514 Cb 1.16 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.06 1jf5 h ALA 514 CO 0.05 0.00 -0.76 -1.71 0.00 0.00 0.00 179.25 176.83 1jf5 n ASN 515 N -2.42 -3.31 -4.45 0.00 5.15 0.13 -4.69 115.26 105.67 1jf5 n ASN 515 Ca 0.05 -0.66 -0.33 0.00 -0.60 0.00 0.00 54.58 53.04 1jf5 n ASN 515 Cb 0.41 -4.75 -0.13 0.00 -0.53 0.00 0.00 39.78 34.77 1jf5 n ASN 515 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1jf5 s LEU 516 N -6.78 2.80 -0.01 1.20 0.20 -1.17 -2.40 118.68 112.51 1jf5 s LEU 516 Ca 0.23 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.86 1jf5 s LEU 516 Cb -0.10 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 44.05 1jf5 s LEU 516 CO 0.76 0.27 -0.10 -0.47 -0.29 0.00 0.00 176.35 176.52 1jf5 s TYR 517 N -0.30 0.94 0.02 5.38 6.14 -0.71 -2.20 117.35 126.63 1jf5 s TYR 517 Ca 0.03 -0.20 -0.00 0.00 0.64 0.00 0.00 57.07 57.53 1jf5 s TYR 517 Cb -0.13 -0.63 -0.02 0.00 0.42 0.00 0.00 41.96 41.61 1jf5 s TYR 517 CO 0.03 -0.04 -0.02 0.00 0.64 0.00 0.00 175.55 176.15 1jf5 s ALA 518 N -0.10 0.09 0.16 3.97 0.00 -0.49 -0.91 121.76 124.48 1jf5 s ALA 518 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1jf5 s ALA 518 Cb -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1jf5 s ALA 518 CO -0.00 -0.16 0.29 -0.59 0.00 0.00 0.00 175.76 175.31 1jf5 s PHE 519 N -1.39 0.36 -0.06 0.00 -0.71 -0.40 -0.53 117.98 115.26 1jf5 s PHE 519 Ca -0.15 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.03 1jf5 s PHE 519 Cb -0.09 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1jf5 s PHE 519 CO -0.01 -0.72 -0.09 0.08 -1.34 0.00 0.00 175.22 173.14 1jf5 s VAL 520 N -3.96 0.88 -0.15 -2.49 1.01 -0.47 0.20 120.40 115.42 1jf5 s VAL 520 Ca 0.16 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1jf5 s VAL 520 Cb 0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1jf5 s VAL 520 CO -0.00 0.30 0.20 -0.13 0.00 0.00 0.00 175.10 175.47 1jf5 s ARG 521 N 0.80 3.98 -0.00 2.72 1.81 -0.85 -2.30 118.95 125.11 1jf5 s ARG 521 Ca -0.13 -0.06 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 1jf5 s ARG 521 Cb -0.15 -3.34 -0.01 0.00 -0.45 0.00 0.00 34.95 31.00 1jf5 s ARG 521 CO 0.02 0.45 -0.06 0.99 -0.68 0.00 0.00 175.30 176.02 1jf5 s THR 522 N -0.11 0.48 -0.16 0.02 2.01 -1.14 -2.08 115.64 114.65 1jf5 s THR 522 Ca 0.14 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1jf5 s THR 522 Cb -0.12 -0.41 0.06 0.00 0.01 0.00 0.00 72.50 72.03 1jf5 s THR 522 CO 0.03 0.09 0.40 0.54 -0.69 0.00 0.00 174.62 174.99 1jf5 s VAL 523 N -0.23 -0.02 0.00 3.82 0.11 -0.98 -2.11 120.40 120.98 1jf5 s VAL 523 Ca 0.01 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1jf5 s VAL 523 Cb -0.03 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1jf5 s VAL 523 CO -0.00 0.04 0.00 0.00 -3.33 0.00 0.00 175.10 171.80 1jf5 n GLN 524 N 4.12 0.00 0.00 1.54 1.13 -1.26 -1.13 117.38 121.79 1jf5 n GLN 524 Ca -0.23 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.95 1jf5 n GLN 524 Cb 0.55 0.00 0.15 0.00 0.11 0.00 0.00 30.24 31.05 1jf5 n GLN 524 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jf5 n ASP 525 N 4.19 1.40 -4.73 1.08 10.43 -1.26 -4.93 116.55 122.72 1jf5 n ASP 525 Ca 0.00 -1.11 -0.41 0.00 2.57 0.00 0.00 54.79 55.85 1jf5 n ASP 525 Cb 0.00 0.39 -0.05 0.00 1.84 0.00 0.00 41.12 43.30 1jf5 n ASP 525 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1jf5 s GLN 526 N -2.59 4.66 -0.02 -1.24 0.74 -0.28 -4.80 119.66 116.12 1jf5 s GLN 526 Ca 0.19 1.36 0.02 0.00 0.05 0.00 0.00 55.36 56.98 1jf5 s GLN 526 Cb 0.18 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1jf5 s GLN 526 CO 0.60 0.26 -0.07 -1.01 -0.55 0.00 0.00 175.29 174.52 1jf5 s HIS 527 N -0.11 0.74 -0.13 1.67 3.76 -1.26 -2.32 115.29 117.63 1jf5 s HIS 527 Ca 0.44 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1jf5 s HIS 527 Cb -0.23 -0.54 0.04 0.00 1.11 0.00 0.00 32.58 32.96 1jf5 s HIS 527 CO 0.28 -0.08 -0.03 0.08 -0.85 0.00 0.00 174.74 174.14 1jf5 s VAL 528 N 0.22 0.82 -0.10 -0.90 1.01 -0.88 -2.22 120.40 118.34 1jf5 s VAL 528 Ca -0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1jf5 s VAL 528 Cb -0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1jf5 s VAL 528 CO 0.00 0.17 0.23 -0.83 0.00 0.00 0.00 175.10 174.67 1jf5 s GLY 529 N 1.77 2.25 -0.18 4.51 0.00 0.59 -2.00 107.32 114.26 1jf5 s GLY 529 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 1jf5 s GLY 529 CO -0.07 -0.10 -0.16 0.14 0.00 0.00 0.00 173.10 172.91 1jf5 s VAL 530 N -0.77 2.45 -0.24 1.40 1.01 0.13 0.12 120.40 124.50 1jf5 s VAL 530 Ca 0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1jf5 s VAL 530 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1jf5 s VAL 530 CO 0.06 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1jf5 s VAL 531 N 1.20 3.06 -0.23 2.92 1.01 -0.12 -1.27 120.40 126.97 1jf5 s VAL 531 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1jf5 s VAL 531 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1jf5 s VAL 531 CO -0.07 0.27 -0.09 -0.76 0.00 0.00 0.00 175.10 174.44 1jf5 s LEU 532 N 1.38 2.89 -0.89 3.92 1.43 -0.09 -0.48 118.68 126.85 1jf5 s LEU 532 Ca 0.02 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1jf5 s LEU 532 Cb -0.16 -1.63 0.22 0.00 0.03 0.00 0.00 46.19 44.65 1jf5 s LEU 532 CO -0.04 -0.08 0.87 0.21 0.23 0.00 0.00 176.35 177.54 1jf5 s ASN 533 N 1.34 6.85 -1.53 2.29 2.47 -1.08 -1.73 114.94 123.54 1jf5 s ASN 533 Ca 0.02 -2.78 -0.11 0.00 0.42 0.00 0.00 52.86 50.41 1jf5 s ASN 533 Cb -0.15 -2.23 -0.02 0.00 -1.45 0.00 0.00 41.25 37.40 1jf5 s ASN 533 CO -0.06 -0.58 2.62 -3.20 -3.72 0.00 0.00 177.10 172.16 1jf5 n ASN 534 N 4.05 6.84 -3.77 -4.21 5.15 -1.01 -2.89 115.26 119.42 1jf5 n ASN 534 Ca 0.17 -2.73 -0.13 0.00 -0.60 0.00 0.00 54.58 51.29 1jf5 n ASN 534 Cb 0.46 -1.58 -0.09 0.00 -0.53 0.00 0.00 39.78 38.04 1jf5 n ASN 534 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1jf5 s ARG 535 N 2.22 0.55 -0.07 1.20 1.81 -1.26 -4.86 118.95 118.55 1jf5 s ARG 535 Ca 0.59 -0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.61 1jf5 s ARG 535 Cb 0.16 0.25 0.17 0.00 -0.45 0.00 0.00 34.95 35.08 1jf5 s ARG 535 CO -0.07 -0.13 0.90 0.41 -0.68 0.00 0.00 175.30 175.72 1jf5 n GLY 536 N 1.81 2.03 3.19 -3.53 0.00 -1.26 -1.61 105.19 105.82 1jf5 n GLY 536 Ca -0.19 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1jf5 n GLY 536 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jf5 s GLU 537 N -1.21 0.87 0.13 1.61 0.41 -1.26 -4.79 118.70 114.45 1jf5 s GLU 537 Ca 0.12 -1.01 -0.31 0.00 -0.41 0.00 0.00 54.97 53.36 1jf5 s GLU 537 Cb 0.10 -0.88 -0.09 0.00 -1.78 0.00 0.00 34.13 31.48 1jf5 s GLU 537 CO 0.03 0.19 1.47 0.21 -0.49 0.00 0.00 175.26 176.67 1jf5 s LYS 538 N -1.87 4.27 0.10 1.61 2.20 -1.26 -4.33 119.74 120.46 1jf5 s LYS 538 Ca -0.00 2.19 0.03 0.00 -0.36 0.00 0.00 55.97 57.83 1jf5 s LYS 538 Cb -0.09 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1jf5 s LYS 538 CO 0.02 -0.52 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.75 1jf5 s GLN 539 N 1.26 0.85 -0.00 4.03 -0.21 -0.82 -5.01 119.66 119.76 1jf5 s GLN 539 Ca 0.67 -1.20 0.06 0.00 0.02 0.00 0.00 55.36 54.91 1jf5 s GLN 539 Cb -0.39 -0.47 -0.02 0.00 1.00 0.00 0.00 33.01 33.13 1jf5 s GLN 539 CO 0.30 0.06 -0.19 0.99 -2.12 0.00 0.00 175.29 174.34 1jf5 s THR 540 N -2.67 1.47 0.05 -0.19 2.01 -1.26 -1.15 115.64 113.90 1jf5 s THR 540 Ca 0.07 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1jf5 s THR 540 Cb -0.01 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1jf5 s THR 540 CO -0.01 0.35 0.09 0.68 -0.69 0.00 0.00 174.62 175.04 1jf5 s VAL 541 N -0.52 0.16 -0.35 3.82 -7.23 -0.45 -5.01 120.40 110.81 1jf5 s VAL 541 Ca 0.07 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1jf5 s VAL 541 Cb -0.07 -1.17 0.06 0.00 0.56 0.00 0.00 36.38 35.76 1jf5 s VAL 541 CO -0.00 -0.72 0.12 -0.76 -0.31 0.00 0.00 175.10 173.43 1jf5 s LEU 542 N -2.52 4.50 0.16 1.32 1.43 -1.26 -1.80 118.68 120.51 1jf5 s LEU 542 Ca 0.01 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.69 1jf5 s LEU 542 Cb 0.03 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1jf5 s LEU 542 CO -0.08 -0.38 0.37 -0.76 0.23 0.00 0.00 176.35 175.73 1jf5 s LEU 543 N 1.32 4.25 0.24 1.79 1.43 -0.69 -4.88 118.68 122.14 1jf5 s LEU 543 Ca -0.00 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1jf5 s LEU 543 Cb -0.21 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1jf5 s LEU 543 CO 0.00 0.02 0.86 -1.10 0.23 0.00 0.00 176.35 176.36 1jf5 s GLN 544 N -2.93 4.60 -0.51 1.70 -1.52 -1.26 -0.91 119.66 118.83 1jf5 s GLN 544 Ca 0.40 1.24 0.07 0.00 -1.95 0.00 0.00 55.36 55.12 1jf5 s GLN 544 Cb -0.12 -3.08 0.19 0.00 -0.22 0.00 0.00 33.01 29.78 1jf5 s GLN 544 CO 0.27 0.45 0.69 0.14 -0.25 0.00 0.00 175.29 176.59 1jf5 s VAL 545 N -1.34 -0.87 0.20 1.09 -7.23 0.14 -4.86 120.40 107.52 1jf5 s VAL 545 Ca 0.42 -1.13 -0.32 0.00 -1.81 0.00 0.00 61.98 59.14 1jf5 s VAL 545 Cb -0.22 -0.12 -0.13 0.00 0.56 0.00 0.00 36.38 36.48 1jf5 s VAL 545 CO 0.26 -0.12 1.65 -0.81 -0.31 0.00 0.00 175.10 175.78 1jf5 n PRO 546 N 2.97 2.55 0.11 4.82 -0.04 -1.26 -4.15 135.00 140.01 1jf5 n PRO 546 Ca 0.19 0.92 0.01 0.00 -0.04 0.00 0.00 63.50 64.57 1jf5 n PRO 546 Cb 0.55 -2.73 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1jf5 n PRO 546 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jf5 n GLU 547 N 3.53 0.02 -0.14 0.54 1.02 -1.26 -1.76 120.64 122.59 1jf5 n GLU 547 Ca 0.15 0.33 -0.05 0.00 -0.02 0.00 0.00 57.16 57.57 1jf5 n GLU 547 Cb 0.33 -2.16 0.15 0.00 -0.02 0.00 0.00 31.44 29.74 1jf5 n GLU 547 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jf5 h SER 548 N 0.00 0.82 -0.37 1.62 4.64 -2.04 -2.93 113.55 115.29 1jf5 h SER 548 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1jf5 h SER 548 Cb 1.23 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1jf5 h SER 548 CO 0.00 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1jf5 n GLY 549 N -0.68 1.50 0.00 -0.77 0.00 -0.72 -5.02 105.19 99.50 1jf5 n GLY 549 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1jf5 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jf5 n GLY 550 N 0.81 2.52 0.00 -0.02 0.00 -1.11 -4.94 105.19 102.45 1jf5 n GLY 550 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1jf5 n GLY 550 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jf5 n LYS 551 N 0.36 1.84 -4.78 1.61 2.85 -1.26 -4.46 118.16 114.31 1jf5 n LYS 551 Ca 0.00 -0.19 -0.25 0.00 -1.05 0.00 0.00 58.31 56.82 1jf5 n LYS 551 Cb 0.00 -0.62 -0.16 0.00 -0.65 0.00 0.00 35.03 33.60 1jf5 n LYS 551 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jf5 s THR 552 N -0.32 1.34 0.08 0.58 2.01 -1.26 0.12 115.64 118.19 1jf5 s THR 552 Ca 0.00 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1jf5 s THR 552 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1jf5 s THR 552 CO 0.00 0.39 -0.08 0.26 -0.69 0.00 0.00 174.62 174.50 1jf5 s TRP 553 N -0.07 0.87 -0.08 4.92 0.51 0.04 -4.65 118.94 120.48 1jf5 s TRP 553 Ca -0.01 -0.70 0.02 0.00 -2.12 0.00 0.00 56.10 53.29 1jf5 s TRP 553 Cb -0.10 -0.50 0.01 0.00 -0.81 0.00 0.00 33.47 32.07 1jf5 s TRP 553 CO 0.01 -0.08 -0.15 -1.17 -0.51 0.00 0.00 176.95 175.05 1jf5 s LEU 554 N -2.39 1.73 -0.59 2.99 2.96 -1.03 -0.58 118.68 121.77 1jf5 s LEU 554 Ca 0.03 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.31 1jf5 s LEU 554 Cb -0.02 -0.98 0.04 0.00 0.50 0.00 0.00 46.19 45.73 1jf5 s LEU 554 CO -0.02 0.05 1.10 -0.62 -1.32 0.00 0.00 176.35 175.54 1jf5 s ASP 555 N 0.69 6.37 0.60 3.68 3.68 0.13 -2.09 116.67 129.73 1jf5 s ASP 555 Ca -0.13 -0.16 0.30 0.00 2.13 0.00 0.00 52.55 54.69 1jf5 s ASP 555 Cb -0.16 -2.51 1.81 0.00 -1.45 0.00 0.00 42.92 40.61 1jf5 s ASP 555 CO 0.03 -1.42 2.21 0.00 0.13 0.00 0.00 175.17 176.12 1jf5 h LEU 557 N 0.00 0.00 0.00 0.00 3.38 -1.89 -3.38 115.31 113.42 1jf5 h LEU 557 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jf5 h LEU 557 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jf5 h LEU 557 CO -0.00 0.61 -0.52 0.35 0.09 0.00 0.00 178.44 178.97 1jf5 n THR 558 N -3.07 0.00 0.00 0.22 -2.24 -0.83 -5.00 114.28 103.35 1jf5 n THR 558 Ca -0.04 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1jf5 n THR 558 Cb 0.82 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1jf5 n THR 558 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jf5 n GLY 559 N 1.75 2.80 3.72 3.38 0.00 0.78 -4.97 105.19 112.66 1jf5 n GLY 559 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jf5 n GLY 559 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jf5 n GLU 560 N -2.00 2.04 -3.82 1.61 2.13 -1.24 -4.59 120.64 114.77 1jf5 n GLU 560 Ca 0.00 0.73 -0.36 0.00 0.66 0.00 0.00 57.16 58.18 1jf5 n GLU 560 Cb 0.00 -2.48 -0.13 0.00 0.27 0.00 0.00 31.44 29.10 1jf5 n GLU 560 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jf5 s GLU 561 N -2.31 2.77 0.11 5.31 2.12 -1.26 0.18 118.70 125.61 1jf5 s GLU 561 Ca 0.61 -1.06 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1jf5 s GLU 561 Cb -0.48 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1jf5 s GLU 561 CO 0.58 -0.54 0.16 0.14 -0.54 0.00 0.00 175.26 175.05 1jf5 s VAL 562 N 1.39 4.86 -0.00 3.70 -7.23 0.25 -4.97 120.40 118.40 1jf5 s VAL 562 Ca -0.01 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.49 1jf5 s VAL 562 Cb -0.18 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1jf5 s VAL 562 CO 0.01 0.04 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.65 1jf5 s HIS 563 N -1.56 1.64 -0.03 2.82 0.09 -1.26 -0.78 115.29 116.22 1jf5 s HIS 563 Ca 0.32 -0.32 -0.16 0.00 -0.00 0.00 0.00 55.06 54.90 1jf5 s HIS 563 Cb -0.12 -1.04 -0.05 0.00 -0.00 0.00 0.00 32.58 31.37 1jf5 s HIS 563 CO 0.25 -0.00 0.43 0.20 -0.00 0.00 0.00 174.74 175.62 1jf5 s GLY 564 N -0.59 2.47 -0.12 -2.22 0.00 0.12 -4.59 107.32 102.38 1jf5 s GLY 564 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.62 1jf5 s GLY 564 CO -0.00 0.32 -0.21 -1.59 0.00 0.00 0.00 173.10 171.62 1jf5 s LYS 565 N -0.64 2.84 -1.41 2.90 0.00 -0.09 -4.76 119.74 118.58 1jf5 s LYS 565 Ca 0.24 -0.79 -0.07 0.00 0.00 0.00 0.00 55.97 55.35 1jf5 s LYS 565 Cb -0.16 -2.27 0.04 0.00 0.00 0.00 0.00 37.83 35.44 1jf5 s LYS 565 CO 0.13 0.03 0.91 1.04 0.00 0.00 0.00 175.35 177.46 1jf5 n GLN 566 N 3.95 -5.74 -1.12 1.78 6.02 -1.26 -1.46 117.38 119.55 1jf5 n GLN 566 Ca -0.20 0.66 -0.04 0.00 -0.01 0.00 0.00 57.00 57.41 1jf5 n GLN 566 Cb 0.52 -5.46 -0.02 0.00 1.02 0.00 0.00 30.24 26.30 1jf5 n GLN 566 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jf5 n GLY 567 N -1.66 0.59 3.26 1.08 0.00 -1.26 -4.99 105.19 102.21 1jf5 n GLY 567 Ca -0.11 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1jf5 n GLY 567 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jf5 s GLN 568 N -1.76 1.06 -0.14 1.61 -0.21 -0.54 0.25 119.66 119.94 1jf5 s GLN 568 Ca 0.00 -1.17 -0.00 0.00 0.02 0.00 0.00 55.36 54.21 1jf5 s GLN 568 Cb 0.00 -1.15 0.03 0.00 1.00 0.00 0.00 33.01 32.88 1jf5 s GLN 568 CO 0.00 0.25 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.17 1jf5 s LEU 569 N -2.10 1.42 -0.21 2.90 2.96 -0.08 -0.91 118.68 122.66 1jf5 s LEU 569 Ca 0.06 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.29 1jf5 s LEU 569 Cb -0.08 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 1jf5 s LEU 569 CO 0.04 -0.12 0.78 -0.75 -1.32 0.00 0.00 176.35 174.98 1jf5 s LYS 570 N 1.64 4.23 -0.06 1.98 2.47 -1.26 -1.71 119.74 127.03 1jf5 s LYS 570 Ca 0.04 0.89 0.03 0.00 -1.56 0.00 0.00 55.97 55.36 1jf5 s LYS 570 Cb -0.13 -3.61 0.01 0.00 -1.46 0.00 0.00 37.83 32.64 1jf5 s LYS 570 CO -0.09 -0.39 -0.13 -0.51 0.16 0.00 0.00 175.35 174.39 1jf5 s LEU 571 N 2.40 1.74 -0.23 5.43 1.02 -0.75 -4.95 118.68 123.34 1jf5 s LEU 571 Ca 0.34 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 1jf5 s LEU 571 Cb -0.16 -0.84 0.03 0.00 0.02 0.00 0.00 46.19 45.24 1jf5 s LEU 571 CO 0.10 0.07 -0.09 -0.89 0.02 0.00 0.00 176.35 175.55 1jf5 s THR 572 N 0.45 2.69 -0.02 5.49 2.01 -1.26 -1.34 115.64 123.65 1jf5 s THR 572 Ca -0.11 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1jf5 s THR 572 Cb -0.14 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1jf5 s THR 572 CO 0.03 0.26 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.39 1jf5 s LEU 573 N 1.31 3.15 0.63 4.42 2.01 -0.30 -5.00 118.68 124.91 1jf5 s LEU 573 Ca 0.01 -0.12 -0.07 0.00 0.01 0.00 0.00 54.13 53.97 1jf5 s LEU 573 Cb -0.16 -1.77 0.03 0.00 0.01 0.00 0.00 46.19 44.29 1jf5 s LEU 573 CO -0.06 0.31 0.95 -0.13 1.01 0.00 0.00 176.35 178.43 1jf5 s ARG 574 N -1.23 2.69 -0.01 1.70 0.52 -1.26 -1.94 118.95 119.42 1jf5 s ARG 574 Ca 0.16 -0.04 -0.38 0.00 -0.52 0.00 0.00 55.73 54.94 1jf5 s ARG 574 Cb -0.11 -2.22 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 1jf5 s ARG 574 CO 0.06 -0.89 1.41 -2.30 0.02 0.00 0.00 175.30 173.59 1jf5 n PRO 575 N -2.72 1.04 -1.54 3.54 -0.02 -1.26 -0.52 135.00 133.52 1jf5 n PRO 575 Ca 0.06 0.38 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1jf5 n PRO 575 Cb 0.58 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1jf5 n PRO 575 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jf5 n TYR 576 N 3.07 -0.50 -2.62 6.00 0.53 -0.63 -4.92 117.16 118.09 1jf5 n TYR 576 Ca 0.20 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.70 1jf5 n TYR 576 Cb 0.17 -2.65 -0.05 0.00 -1.03 0.00 0.00 39.34 35.77 1jf5 n TYR 576 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 1jf5 s GLN 577 N -3.41 4.56 0.15 -0.72 0.74 0.32 -4.64 119.66 116.65 1jf5 s GLN 577 Ca 0.00 1.56 0.10 0.00 0.05 0.00 0.00 55.36 57.07 1jf5 s GLN 577 Cb 0.00 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1jf5 s GLN 577 CO 0.00 0.20 -0.21 0.20 -0.55 0.00 0.00 175.29 174.94 1jf5 s GLY 578 N -1.27 1.67 -0.00 2.59 0.00 -1.26 -2.64 107.32 106.41 1jf5 s GLY 578 Ca 0.48 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1jf5 s GLY 578 CO 0.32 -1.47 -0.13 1.06 0.00 0.00 0.00 173.10 172.88 1jf5 s MET 579 N -2.34 1.04 -0.46 2.90 -1.94 0.37 -4.98 119.30 113.89 1jf5 s MET 579 Ca 0.19 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 1jf5 s MET 579 Cb -0.10 -1.01 0.12 0.00 2.01 0.00 0.00 34.83 35.85 1jf5 s MET 579 CO 0.10 0.27 0.19 0.42 -0.01 0.00 0.00 175.02 175.99 1jf5 s ILE 580 N -0.37 2.45 -0.43 2.53 1.01 -1.26 -0.94 121.20 124.19 1jf5 s ILE 580 Ca 0.05 -2.99 -0.25 0.00 0.00 0.00 0.00 60.65 57.46 1jf5 s ILE 580 Cb -0.05 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1jf5 s ILE 580 CO -0.00 -0.74 0.87 -0.76 0.00 0.00 0.00 174.94 174.31 1jf5 s LEU 581 N 0.11 4.08 -0.21 2.97 2.01 0.32 -1.43 118.68 126.54 1jf5 s LEU 581 Ca 0.15 0.18 -0.08 0.00 0.01 0.00 0.00 54.13 54.38 1jf5 s LEU 581 Cb -0.24 -3.13 -0.04 0.00 0.01 0.00 0.00 46.19 42.79 1jf5 s LEU 581 CO -0.03 -0.94 0.09 0.86 1.01 0.00 0.00 176.35 177.34 1jf5 s TRP 582 N 3.51 3.24 -1.49 0.29 -0.00 -0.89 0.22 118.94 123.82 1jf5 s TRP 582 Ca 0.35 0.03 0.02 0.00 -0.00 0.00 0.00 56.10 56.51 1jf5 s TRP 582 Cb -0.11 -2.16 0.09 0.00 -0.00 0.00 0.00 33.47 31.29 1jf5 s TRP 582 CO 0.23 0.04 0.88 0.27 -0.00 0.00 0.00 176.95 178.37 1jf5 n ASN 583 N 3.99 1.01 -0.38 5.86 6.94 -0.94 -2.45 115.26 129.29 1jf5 n ASN 583 Ca -0.16 -2.05 -0.05 0.00 -0.02 0.00 0.00 54.58 52.30 1jf5 n ASN 583 Cb 0.52 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.64 1jf5 n ASN 583 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jf5 n GLY 584 N 0.38 0.46 0.66 4.83 0.00 -1.26 -4.95 105.19 105.31 1jf5 n GLY 584 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1jf5 n GLY 584 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86