#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 s ILE 2 N 0.00 5.25 0.70 1.12 -1.09 -1.20 -4.64 121.20 121.34 1n63 s ILE 2 Ca 0.00 0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 58.81 1n63 s ILE 2 Cb 0.00 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1n63 s ILE 2 CO 0.00 0.27 1.06 -2.84 -1.23 0.00 0.00 174.94 172.20 1n63 s PRO 3 N 1.35 2.93 0.81 2.79 0.02 -1.26 -4.76 135.00 136.88 1n63 s PRO 3 Ca 0.14 0.86 -0.11 0.00 0.02 0.00 0.00 61.00 61.91 1n63 s PRO 3 Cb -0.14 -2.00 0.08 0.00 0.02 0.00 0.00 34.50 32.46 1n63 s PRO 3 CO 0.07 -1.08 1.09 0.20 -0.33 0.00 0.00 177.00 176.95 1n63 s GLY 4 N -3.89 1.65 0.57 0.52 0.00 -1.26 -5.01 107.32 99.89 1n63 s GLY 4 Ca 0.58 0.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 1n63 s GLY 4 CO 0.55 0.47 1.12 -1.35 0.00 0.00 0.00 173.10 173.88 1n63 s SER 5 N -3.52 5.64 0.18 1.64 1.04 -1.26 -4.99 113.70 112.43 1n63 s SER 5 Ca 0.62 2.11 -0.17 0.00 0.48 0.00 0.00 55.95 58.98 1n63 s SER 5 Cb -0.17 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1n63 s SER 5 CO 0.56 -1.27 0.50 0.72 0.98 0.00 0.00 173.24 174.73 1n63 s PHE 6 N -1.93 -0.14 -0.05 5.02 -0.71 -1.26 -4.75 117.98 114.16 1n63 s PHE 6 Ca 0.71 -0.19 -0.11 0.00 -1.04 0.00 0.00 56.93 56.30 1n63 s PHE 6 Cb -0.22 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1n63 s PHE 6 CO 0.30 -0.88 0.29 -0.51 -1.34 0.00 0.00 175.22 173.08 1n63 s ASP 7 N -2.86 6.63 -0.13 1.98 1.11 0.08 -4.97 116.67 118.51 1n63 s ASP 7 Ca 0.08 0.75 0.01 0.00 0.18 0.00 0.00 52.55 53.57 1n63 s ASP 7 Cb -0.00 -2.17 -0.01 0.00 1.07 0.00 0.00 42.92 41.81 1n63 s ASP 7 CO -0.05 0.36 -0.17 -0.47 1.18 0.00 0.00 175.17 176.02 1n63 s TYR 8 N -1.07 2.74 0.09 4.23 5.04 -1.26 -0.69 117.35 126.43 1n63 s TYR 8 Ca 0.20 -0.92 0.09 0.00 -2.44 0.00 0.00 57.07 54.00 1n63 s TYR 8 Cb -0.15 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1n63 s TYR 8 CO 0.10 -0.38 -0.24 -1.01 -1.34 0.00 0.00 175.55 172.67 1n63 s HIS 9 N 0.56 2.08 -0.58 4.97 3.76 -0.30 -4.97 115.29 120.80 1n63 s HIS 9 Ca -0.10 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1n63 s HIS 9 Cb -0.16 -1.17 0.19 0.00 1.11 0.00 0.00 32.58 32.55 1n63 s HIS 9 CO 0.04 0.21 0.51 0.54 -0.85 0.00 0.00 174.74 175.19 1n63 n ARG 10 N 1.32 1.39 -1.54 1.40 1.74 -1.26 -0.97 116.66 118.73 1n63 n ARG 10 Ca -0.18 -4.02 -0.36 0.00 -0.77 0.00 0.00 57.85 52.52 1n63 n ARG 10 Cb 0.53 -1.99 0.09 0.00 -1.02 0.00 0.00 32.46 30.07 1n63 n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n63 s PRO 11 N -1.22 2.26 0.01 5.56 0.04 -1.25 -4.93 135.00 135.45 1n63 s PRO 11 Ca 0.31 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.54 1n63 s PRO 11 Cb 0.04 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1n63 s PRO 11 CO -0.14 -1.80 0.92 1.63 0.04 0.00 0.00 177.00 177.65 1n63 n LYS 12 N -2.35 0.16 -3.95 4.56 5.02 -1.26 -4.45 118.16 115.89 1n63 n LYS 12 Ca 0.15 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 1n63 n LYS 12 Cb 0.49 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1n63 n LYS 12 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n63 s SER 13 N -3.43 0.13 0.26 4.39 1.04 -1.26 -4.60 113.70 110.23 1n63 s SER 13 Ca 0.05 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 1n63 s SER 13 Cb 0.15 0.37 0.31 0.00 0.10 0.00 0.00 66.02 66.95 1n63 s SER 13 CO 0.84 -0.79 1.94 0.40 0.98 0.00 0.00 173.24 176.61 1n63 h ILE 14 N 2.70 1.24 -0.44 -1.02 2.04 -1.96 -1.13 117.51 118.94 1n63 h ILE 14 Ca -0.33 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1n63 h ILE 14 Cb 1.21 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1n63 h ILE 14 CO 0.54 0.24 0.25 0.00 0.00 0.00 0.00 178.15 179.18 1n63 h ALA 15 N 1.40 0.56 -0.40 1.87 0.00 -1.99 -0.29 119.26 120.41 1n63 h ALA 15 Ca 0.36 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1n63 h ALA 15 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1n63 h ALA 15 CO -0.08 0.06 -0.22 -0.44 0.00 0.00 0.00 179.25 178.57 1n63 h ASP 16 N 0.57 0.81 -0.47 0.00 3.32 -1.88 -1.18 116.42 117.59 1n63 h ASP 16 Ca 0.16 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1n63 h ASP 16 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1n63 h ASP 16 CO -0.03 1.01 -0.08 0.00 -1.72 0.00 0.00 179.24 178.42 1n63 h ALA 17 N 1.05 0.89 -0.45 3.45 0.00 -0.62 -1.24 119.26 122.34 1n63 h ALA 17 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1n63 h ALA 17 Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1n63 h ALA 17 CO 0.06 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.22 1n63 h VAL 18 N 0.84 1.26 -0.81 0.00 2.07 -0.97 -0.11 116.25 118.53 1n63 h VAL 18 Ca 0.14 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1n63 h VAL 18 Cb 0.61 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1n63 h VAL 18 CO 0.04 0.37 0.52 0.00 0.02 0.00 0.00 177.57 178.51 1n63 h ALA 19 N 0.91 1.06 0.23 1.67 0.00 -1.04 -0.31 119.26 121.77 1n63 h ALA 19 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n63 h ALA 19 Cb 0.51 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n63 h ALA 19 CO 0.02 0.35 -0.11 -0.07 0.00 0.00 0.00 179.25 179.44 1n63 h LEU 20 N 1.01 -0.26 -1.10 0.00 3.38 -0.81 -1.40 115.31 116.13 1n63 h LEU 20 Ca 0.32 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1n63 h LEU 20 Cb -0.00 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1n63 h LEU 20 CO -0.11 -0.00 0.61 -0.07 0.09 0.00 0.00 178.44 178.96 1n63 h LEU 21 N -0.53 0.94 -0.64 1.67 3.38 -0.89 0.65 115.31 119.88 1n63 h LEU 21 Ca -0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1n63 h LEU 21 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n63 h LEU 21 CO 0.05 0.59 -0.10 0.74 0.09 0.00 0.00 178.44 179.82 1n63 h THR 22 N 1.06 1.26 -0.07 0.22 2.02 -0.83 -1.12 112.91 115.45 1n63 h THR 22 Ca 0.41 -1.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.19 1n63 h THR 22 Cb 0.22 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1n63 h THR 22 CO -0.16 0.43 -0.61 0.50 0.37 0.00 0.00 175.52 176.05 1n63 h LYS 23 N 0.86 0.53 0.00 6.66 3.64 -0.89 -3.22 116.57 124.15 1n63 h LYS 23 Ca 0.14 -0.48 -0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1n63 h LYS 23 Cb 0.64 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1n63 h LYS 23 CO 0.04 1.11 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.73 1n63 h LEU 24 N 0.12 0.00 0.00 5.20 3.38 -0.86 -3.49 115.31 119.65 1n63 h LEU 24 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n63 h LEU 24 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1n63 h LEU 24 CO 0.12 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1n63 n GLY 25 N 0.95 0.82 0.38 0.83 0.00 -0.43 -3.87 105.19 103.86 1n63 n GLY 25 Ca 0.01 -0.72 0.19 0.00 0.00 0.00 0.00 46.02 45.50 1n63 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n63 h GLU 26 N 0.00 0.06 0.00 1.61 4.81 -1.93 -1.73 114.58 117.40 1n63 h GLU 26 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n63 h GLU 26 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1n63 h GLU 26 CO 0.00 0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 178.07 1n63 n ASP 27 N -4.40 0.00 -4.71 1.04 8.00 -1.25 -4.72 116.55 110.52 1n63 n ASP 27 Ca 0.10 -0.37 -0.33 0.00 0.71 0.00 0.00 54.79 54.90 1n63 n ASP 27 Cb 0.58 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.42 1n63 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n63 s ALA 28 N -2.34 3.37 0.00 2.24 0.00 -0.65 -0.84 121.76 123.53 1n63 s ALA 28 Ca 0.30 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1n63 s ALA 28 Cb 0.17 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1n63 s ALA 28 CO 0.35 0.64 -0.11 1.03 0.00 0.00 0.00 175.76 177.67 1n63 s ARG 29 N -1.45 0.84 0.60 0.00 0.52 -0.42 -4.91 118.95 114.13 1n63 s ARG 29 Ca 0.19 -0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 1n63 s ARG 29 Cb -0.12 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 1n63 s ARG 29 CO 0.09 0.21 1.27 -2.14 0.02 0.00 0.00 175.30 174.76 1n63 s PRO 30 N -0.48 2.87 -0.21 3.54 0.02 -1.26 -1.16 135.00 138.33 1n63 s PRO 30 Ca 0.03 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.07 1n63 s PRO 30 Cb -0.05 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.53 1n63 s PRO 30 CO -0.00 -1.33 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.06 1n63 s LEU 31 N -4.02 2.45 0.00 -5.54 2.96 0.52 -4.79 118.68 110.25 1n63 s LEU 31 Ca 0.78 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1n63 s LEU 31 Cb -0.35 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1n63 s LEU 31 CO 0.39 -0.14 0.00 0.00 -1.32 0.00 0.00 176.35 175.28 1n63 n ALA 32 N 4.64 0.00 0.53 5.97 0.00 -1.26 -1.66 120.51 128.73 1n63 n ALA 32 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1n63 n ALA 32 Cb 0.46 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.34 1n63 n ALA 32 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n63 h GLY 33 N 0.00 0.00 0.00 0.00 0.00 -1.93 -3.46 103.07 97.68 1n63 h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n63 h GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1n63 n GLY 34 N 0.84 0.56 0.79 4.60 0.00 -1.26 -4.61 105.19 106.11 1n63 n GLY 34 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1n63 n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n63 n HIS 35 N -2.38 0.49 -0.03 1.61 8.25 -1.26 -1.18 115.22 120.72 1n63 n HIS 35 Ca 0.00 -0.25 -0.04 0.00 -0.26 0.00 0.00 57.72 57.17 1n63 n HIS 35 Cb 0.06 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1n63 n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1n63 n SER 36 N 0.76 3.52 -0.07 0.41 7.64 -1.26 -4.72 113.62 119.91 1n63 n SER 36 Ca 0.16 -0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1n63 n SER 36 Cb 0.39 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 1n63 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1n63 h LEU 37 N 0.00 0.51 -0.74 -3.43 5.85 -1.97 -2.93 115.31 112.61 1n63 h LEU 37 Ca -0.15 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.02 1n63 h LEU 37 Cb 1.24 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1n63 h LEU 37 CO -0.02 0.89 0.12 0.40 -0.34 0.00 0.00 178.44 179.50 1n63 h ILE 38 N 0.14 1.26 -0.92 4.05 2.04 -1.48 -0.19 117.51 122.42 1n63 h ILE 38 Ca 0.03 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1n63 h ILE 38 Cb 0.75 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1n63 h ILE 38 CO 0.05 0.38 0.60 -0.65 0.00 0.00 0.00 178.15 178.53 1n63 h PRO 39 N 1.02 1.12 0.00 2.37 0.11 -1.72 0.24 132.00 135.14 1n63 h PRO 39 Ca 0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1n63 h PRO 39 Cb 0.41 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1n63 h PRO 39 CO 0.01 0.74 -0.16 0.44 -0.21 0.00 0.00 178.00 178.83 1n63 n ILE 40 N -4.50 0.34 0.04 4.15 -5.35 -0.96 -2.67 119.36 110.40 1n63 n ILE 40 Ca 0.12 -0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 1n63 n ILE 40 Cb 0.09 -0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 37.55 1n63 n ILE 40 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1n63 h MET 41 N 0.00 0.54 0.00 6.28 2.86 -0.04 -1.44 114.93 123.13 1n63 h MET 41 Ca 0.00 -0.50 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 1n63 h MET 41 Cb 0.66 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1n63 h MET 41 CO 0.00 1.13 -0.14 0.87 1.06 0.00 0.00 176.91 179.82 1n63 h LYS 42 N 0.34 0.00 -0.01 1.72 1.57 -0.79 -0.84 116.57 118.57 1n63 h LYS 42 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1n63 h LYS 42 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1n63 h LYS 42 CO 0.16 0.14 -0.16 0.25 -0.57 0.00 0.00 179.45 179.27 1n63 n THR 43 N -4.12 0.00 -2.02 -0.16 -2.24 -1.09 -0.98 114.28 103.67 1n63 n THR 43 Ca -0.02 -0.17 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 1n63 n THR 43 Cb 0.22 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1n63 n THR 43 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n63 n ARG 44 N -0.38 -1.64 0.19 -0.78 1.74 -0.32 -4.87 116.66 110.61 1n63 n ARG 44 Ca 0.15 1.00 0.05 0.00 -0.77 0.00 0.00 57.85 58.28 1n63 n ARG 44 Cb 0.35 -5.51 0.32 0.00 -1.02 0.00 0.00 32.46 26.59 1n63 n ARG 44 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1n63 h LEU 45 N 0.00 0.00 -8.74 0.55 3.38 -1.55 -3.41 115.31 105.54 1n63 h LEU 45 Ca -0.42 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.87 1n63 h LEU 45 Cb 1.28 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.77 1n63 h LEU 45 CO 0.54 0.38 -0.79 0.00 0.09 0.00 0.00 178.44 178.67 1n63 s ALA 46 N -3.58 2.57 -0.36 1.53 0.00 -0.75 -5.02 121.76 116.15 1n63 s ALA 46 Ca 0.00 -0.96 0.14 0.00 0.00 0.00 0.00 51.96 51.14 1n63 s ALA 46 Cb 0.11 -1.00 0.40 0.00 0.00 0.00 0.00 23.12 22.63 1n63 s ALA 46 CO 0.69 0.43 0.86 0.25 0.00 0.00 0.00 175.76 177.98 1n63 n THR 47 N 2.84 0.63 -1.61 0.00 -2.24 -1.26 -4.24 114.28 108.39 1n63 n THR 47 Ca -0.18 -3.94 -0.37 0.00 -2.27 0.00 0.00 64.05 57.30 1n63 n THR 47 Cb 0.52 0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.89 1n63 n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1n63 n PRO 48 N 0.06 0.89 0.13 -0.78 -0.04 -1.26 -4.93 135.00 129.08 1n63 n PRO 48 Ca 0.19 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 64.04 1n63 n PRO 48 Cb 0.72 -2.31 0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1n63 n PRO 48 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1n63 h GLU 49 N 0.34 0.00 -3.90 0.54 4.39 -1.28 -3.42 114.58 111.24 1n63 h GLU 49 Ca -0.49 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 58.94 1n63 h GLU 49 Cb 1.35 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.71 1n63 h GLU 49 CO 0.51 0.35 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.96 1n63 s HIS 50 N -3.02 0.16 -0.10 4.33 3.76 -0.64 -0.74 115.29 119.04 1n63 s HIS 50 Ca 0.03 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1n63 s HIS 50 Cb 0.07 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 1n63 s HIS 50 CO 0.75 -0.01 -0.14 -0.51 -0.85 0.00 0.00 174.74 173.98 1n63 s LEU 51 N 0.07 2.71 -0.52 0.89 1.43 0.14 -1.30 118.68 122.10 1n63 s LEU 51 Ca -0.00 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1n63 s LEU 51 Cb -0.02 -1.59 0.14 0.00 0.03 0.00 0.00 46.19 44.75 1n63 s LEU 51 CO -0.00 0.23 0.33 -0.69 0.23 0.00 0.00 176.35 176.45 1n63 s VAL 52 N -0.05 3.54 0.08 -1.59 1.01 -0.31 -1.15 120.40 121.93 1n63 s VAL 52 Ca -0.03 -2.52 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 1n63 s VAL 52 Cb -0.14 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1n63 s VAL 52 CO 0.04 -0.79 1.15 -0.62 0.00 0.00 0.00 175.10 174.88 1n63 s ASP 53 N 1.27 7.15 0.00 3.32 -1.08 -0.15 -0.36 116.67 126.82 1n63 s ASP 53 Ca 0.13 1.98 0.19 0.00 -0.52 0.00 0.00 52.55 54.33 1n63 s ASP 53 Cb -0.22 -2.58 0.52 0.00 -1.46 0.00 0.00 42.92 39.18 1n63 s ASP 53 CO -0.04 -0.39 1.43 0.18 0.52 0.00 0.00 175.17 176.87 1n63 n LEU 54 N 3.62 2.80 -0.11 -1.34 4.77 -0.66 -3.92 117.00 122.16 1n63 n LEU 54 Ca 0.07 -1.32 0.07 0.00 -0.03 0.00 0.00 56.01 54.81 1n63 n LEU 54 Cb 0.47 -0.29 0.41 0.00 -2.33 0.00 0.00 43.42 41.69 1n63 n LEU 54 CO 0.55 0.66 1.20 0.08 -1.33 0.00 0.00 177.39 178.54 1n63 h ARG 55 N 3.31 0.59 -0.11 3.23 0.11 -1.89 -2.14 114.38 117.47 1n63 h ARG 55 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1n63 h ARG 55 Cb 0.74 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1n63 h ARG 55 CO 0.00 0.39 0.00 -0.25 0.10 0.00 0.00 179.97 180.21 1n63 n ASP 56 N -4.48 1.64 -4.38 0.08 10.43 -1.26 -4.76 116.55 113.83 1n63 n ASP 56 Ca 0.09 -1.64 -0.45 0.00 2.57 0.00 0.00 54.79 55.36 1n63 n ASP 56 Cb 0.23 -0.07 -0.04 0.00 1.84 0.00 0.00 41.12 43.08 1n63 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1n63 s ILE 57 N -1.86 4.89 0.31 0.53 1.01 -0.81 -4.83 121.20 120.45 1n63 s ILE 57 Ca 0.34 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1n63 s ILE 57 Cb 0.19 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 38.18 1n63 s ILE 57 CO 0.29 -1.17 1.73 1.23 0.00 0.00 0.00 174.94 177.02 1n63 h GLY 58 N 9.80 0.15 2.00 6.18 0.00 -1.87 -1.77 103.07 117.55 1n63 h GLY 58 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1n63 h GLY 58 CO 1.06 0.13 0.00 1.22 0.00 0.00 0.00 176.54 178.95 1n63 n ASP 59 N -4.02 0.31 -0.05 0.19 8.00 -1.26 -1.64 116.55 118.08 1n63 n ASP 59 Ca -0.02 0.62 0.14 0.00 0.71 0.00 0.00 54.79 56.24 1n63 n ASP 59 Cb 0.47 -0.67 0.52 0.00 -0.02 0.00 0.00 41.12 41.43 1n63 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n63 n LEU 60 N -1.88 0.34 -4.44 0.64 4.77 -0.67 -4.88 117.00 110.88 1n63 n LEU 60 Ca 0.01 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1n63 n LEU 60 Cb 0.08 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1n63 n LEU 60 CO 0.09 0.07 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.11 1n63 s VAL 61 N -2.77 3.32 0.00 4.08 1.01 -0.65 -0.28 120.40 125.11 1n63 s VAL 61 Ca 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1n63 s VAL 61 Cb 0.19 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1n63 s VAL 61 CO 0.55 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.79 1n63 n GLY 62 N 3.21 4.20 2.94 4.51 0.00 -1.26 -4.81 105.19 113.99 1n63 n GLY 62 Ca -0.18 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 1n63 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n63 s ILE 63 N -2.00 1.16 0.05 -0.61 1.01 -1.26 -0.47 121.20 119.08 1n63 s ILE 63 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1n63 s ILE 63 Cb 0.00 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1n63 s ILE 63 CO 0.00 0.39 0.04 0.00 0.00 0.00 0.00 174.94 175.37 1n63 s ARG 64 N 1.54 0.60 -0.15 2.79 1.70 -0.78 -5.00 118.95 119.65 1n63 s ARG 64 Ca 0.03 -0.98 -0.06 0.00 -0.47 0.00 0.00 55.73 54.25 1n63 s ARG 64 Cb -0.13 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1n63 s ARG 64 CO -0.07 -0.14 0.05 -2.00 -1.08 0.00 0.00 175.30 172.06 1n63 s GLU 65 N -3.25 3.65 -0.17 3.89 2.12 -1.26 0.01 118.70 123.69 1n63 s GLU 65 Ca 0.01 -0.34 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 1n63 s GLU 65 Cb 0.03 -3.09 0.06 0.00 0.26 0.00 0.00 34.13 31.39 1n63 s GLU 65 CO -0.08 0.44 0.08 -2.00 -0.54 0.00 0.00 175.26 173.17 1n63 s GLU 66 N -0.12 0.14 7.59 4.30 2.12 0.61 -4.94 118.70 128.40 1n63 s GLU 66 Ca 0.06 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.29 1n63 s GLU 66 Cb -0.12 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.46 1n63 s GLU 66 CO 0.01 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 1n63 n GLY 67 N 5.25 2.98 1.29 -1.50 0.00 -1.26 -1.78 105.19 110.17 1n63 n GLY 67 Ca -0.07 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1n63 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n63 n THR 68 N 0.00 1.33 -4.47 2.61 -2.24 -1.26 -4.91 114.28 105.34 1n63 n THR 68 Ca 0.00 -0.91 -0.24 0.00 -2.27 0.00 0.00 64.05 60.63 1n63 n THR 68 Cb 0.00 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 1n63 n THR 68 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n63 s ASP 69 N -0.85 3.53 -0.19 3.42 1.01 -0.73 -1.36 116.67 121.50 1n63 s ASP 69 Ca 0.41 -1.04 -0.06 0.00 0.71 0.00 0.00 52.55 52.57 1n63 s ASP 69 Cb 0.25 -0.29 -0.03 0.00 1.01 0.00 0.00 42.92 43.86 1n63 s ASP 69 CO 0.21 0.01 0.03 -0.69 0.21 0.00 0.00 175.17 174.94 1n63 s VAL 70 N -2.55 4.38 -0.22 -1.27 1.01 0.05 -0.28 120.40 121.51 1n63 s VAL 70 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1n63 s VAL 70 Cb -0.04 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1n63 s VAL 70 CO 0.15 0.45 -0.01 -0.69 0.00 0.00 0.00 175.10 174.99 1n63 s VAL 71 N 0.61 3.67 -0.19 2.92 1.01 0.10 -0.36 120.40 128.16 1n63 s VAL 71 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1n63 s VAL 71 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1n63 s VAL 71 CO 0.02 0.40 -0.12 -0.63 0.00 0.00 0.00 175.10 174.78 1n63 s ILE 72 N 1.45 2.83 0.51 2.22 1.01 0.19 -1.87 121.20 127.55 1n63 s ILE 72 Ca 0.05 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 1n63 s ILE 72 Cb -0.14 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 1n63 s ILE 72 CO -0.01 0.48 1.32 0.61 0.00 0.00 0.00 174.94 177.34 1n63 n GLY 73 N 4.51 0.68 0.24 6.18 0.00 0.38 -0.90 105.19 116.26 1n63 n GLY 73 Ca -0.19 0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1n63 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 74 N 1.60 1.80 -0.25 4.61 0.00 -0.57 -1.58 119.26 124.86 1n63 h ALA 74 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1n63 h ALA 74 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n63 h ALA 74 CO 0.58 0.15 0.00 -1.33 0.00 0.00 0.00 179.25 178.65 1n63 n MET 75 N -4.39 1.74 -2.12 0.00 2.81 0.61 -0.68 117.12 115.10 1n63 n MET 75 Ca -0.03 -1.14 -0.42 0.00 -1.81 0.00 0.00 57.70 54.30 1n63 n MET 75 Cb 0.19 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 1n63 n MET 75 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1n63 s THR 76 N -1.67 3.31 0.62 2.03 2.01 -0.59 -4.82 115.64 116.52 1n63 s THR 76 Ca 0.28 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.02 1n63 s THR 76 Cb 0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1n63 s THR 76 CO 0.21 0.03 1.03 0.42 -0.69 0.00 0.00 174.62 175.62 1n63 s THR 77 N 1.77 4.62 0.21 -0.82 -4.23 -1.26 -0.90 115.64 115.03 1n63 s THR 77 Ca 0.67 0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 61.96 1n63 s THR 77 Cb -0.36 -3.81 0.14 0.00 1.34 0.00 0.00 72.50 69.81 1n63 s THR 77 CO 0.30 -1.08 1.77 1.56 -0.54 0.00 0.00 174.62 176.62 1n63 h GLN 78 N -0.27 0.48 -0.89 3.99 1.08 -1.17 -0.81 115.11 117.53 1n63 h GLN 78 Ca -0.44 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 56.80 1n63 h GLN 78 Cb 1.19 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.45 1n63 h GLN 78 CO 0.61 0.32 0.55 1.25 -0.95 0.00 0.00 178.83 180.61 1n63 h HIS 79 N 0.49 1.00 -0.36 2.96 2.76 -1.49 -1.33 115.15 119.18 1n63 h HIS 79 Ca 0.30 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.39 1n63 h HIS 79 Cb 0.31 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1n63 h HIS 79 CO -0.13 0.48 -0.21 0.00 -1.30 0.00 0.00 177.93 176.76 1n63 h ALA 80 N 1.44 0.96 -0.45 5.26 0.00 -1.54 -0.91 119.26 124.01 1n63 h ALA 80 Ca 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1n63 h ALA 80 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n63 h ALA 80 CO -0.20 0.61 0.29 -0.07 0.00 0.00 0.00 179.25 179.88 1n63 h LEU 81 N 0.61 0.53 -0.85 0.00 3.38 -0.60 -2.49 115.31 115.89 1n63 h LEU 81 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1n63 h LEU 81 Cb 0.69 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1n63 h LEU 81 CO 0.05 0.40 0.39 0.40 0.09 0.00 0.00 178.44 179.77 1n63 h ILE 82 N 0.61 1.26 0.00 1.22 2.04 -1.04 -2.93 117.51 118.67 1n63 h ILE 82 Ca 0.16 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1n63 h ILE 82 Cb -0.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1n63 h ILE 82 CO -0.03 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1n63 n GLY 83 N -0.98 -1.22 3.56 5.37 0.00 -0.37 -4.78 105.19 106.77 1n63 n GLY 83 Ca 0.08 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1n63 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n63 s SER 84 N -3.00 6.41 0.54 1.61 0.15 -0.97 -4.88 113.70 113.56 1n63 s SER 84 Ca 0.10 -0.06 0.32 0.00 0.70 0.00 0.00 55.95 57.02 1n63 s SER 84 Cb 0.14 -2.50 1.28 0.00 -1.71 0.00 0.00 66.02 63.22 1n63 s SER 84 CO 0.38 -1.36 1.95 0.44 1.20 0.00 0.00 173.24 175.86 1n63 h ASP 85 N 9.43 0.00 -0.41 5.45 3.32 -1.89 -1.44 116.42 130.88 1n63 h ASP 85 Ca -0.25 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.66 1n63 h ASP 85 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1n63 h ASP 85 CO 1.14 0.01 -0.27 0.15 -1.72 0.00 0.00 179.24 178.56 1n63 h PHE 86 N 0.00 1.06 -0.19 4.55 3.57 -1.98 -1.85 116.94 122.10 1n63 h PHE 86 Ca -0.00 -0.28 -0.14 0.00 3.53 0.00 0.00 57.97 61.07 1n63 h PHE 86 Cb 0.55 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1n63 h PHE 86 CO 0.00 1.09 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.62 1n63 h LEU 87 N 0.73 0.55 -1.89 0.59 3.38 -1.83 -1.64 115.31 115.19 1n63 h LEU 87 Ca 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1n63 h LEU 87 Cb 0.84 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1n63 h LEU 87 CO 0.07 0.95 -0.12 0.00 0.09 0.00 0.00 178.44 179.43 1n63 h ALA 88 N 1.07 1.57 0.09 1.53 0.00 -0.85 0.24 119.26 122.93 1n63 h ALA 88 Ca 0.02 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1n63 h ALA 88 Cb 0.99 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1n63 h ALA 88 CO 0.09 0.15 -1.41 0.00 0.00 0.00 0.00 179.25 178.08 1n63 h ALA 89 N 1.88 0.29 0.02 0.00 0.00 -0.50 -3.29 119.26 117.66 1n63 h ALA 89 Ca -0.00 -1.06 -0.38 0.00 0.00 0.00 0.00 54.91 53.46 1n63 h ALA 89 Cb 0.24 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1n63 h ALA 89 CO 0.02 1.16 -2.17 1.63 0.00 0.00 0.00 179.25 179.89 1n63 n LYS 90 N -3.42 0.62 -3.22 0.00 4.76 -0.85 -4.76 118.16 111.30 1n63 n LYS 90 Ca -0.12 0.31 -0.24 0.00 -2.87 0.00 0.00 58.31 55.38 1n63 n LYS 90 Cb 1.02 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 32.57 1n63 n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n63 n LEU 91 N -3.95 1.70 0.14 -0.35 4.77 0.85 -4.53 117.00 115.63 1n63 n LEU 91 Ca -0.44 -5.06 0.11 0.00 -0.03 0.00 0.00 56.01 50.59 1n63 n LEU 91 Cb 0.89 0.19 0.53 0.00 -2.33 0.00 0.00 43.42 42.70 1n63 n LEU 91 CO 0.18 2.14 0.84 -0.81 -1.33 0.00 0.00 177.39 178.40 1n63 n PRO 92 N 0.87 0.16 0.23 3.23 -0.04 -1.17 -1.54 135.00 136.73 1n63 n PRO 92 Ca 0.25 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.32 1n63 n PRO 92 Cb 0.51 -1.91 0.54 0.00 -0.04 0.00 0.00 33.50 32.60 1n63 n PRO 92 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1n63 h ILE 93 N 0.00 0.94 -0.02 0.52 2.10 -1.91 -2.97 117.51 116.17 1n63 h ILE 93 Ca 0.00 -0.81 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 1n63 h ILE 93 Cb 0.18 1.47 -0.00 0.00 -1.09 0.00 0.00 36.82 37.37 1n63 h ILE 93 CO 0.00 0.21 -0.01 0.40 -1.08 0.00 0.00 178.15 177.68 1n63 h ILE 94 N 0.00 1.30 -0.67 2.19 2.04 -1.62 -0.76 117.51 119.98 1n63 h ILE 94 Ca -0.00 -0.91 0.11 0.00 1.00 0.00 0.00 64.86 65.07 1n63 h ILE 94 Cb 0.45 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 1n63 h ILE 94 CO 0.03 0.24 0.25 -0.09 0.00 0.00 0.00 178.15 178.58 1n63 h ARG 95 N -0.32 0.40 -0.63 2.37 2.43 -1.71 0.18 114.38 117.10 1n63 h ARG 95 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1n63 h ARG 95 Cb 0.39 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1n63 h ARG 95 CO 0.00 0.27 0.28 1.49 -1.51 0.00 0.00 179.97 180.49 1n63 h GLU 96 N 0.42 0.93 -0.05 0.20 4.81 -1.36 -1.55 114.58 117.98 1n63 h GLU 96 Ca 0.35 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1n63 h GLU 96 Cb 0.48 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1n63 h GLU 96 CO -0.36 0.77 -0.05 1.15 -0.73 0.00 0.00 179.01 179.80 1n63 h THR 97 N 0.88 1.36 -0.67 0.32 2.02 -0.66 -3.20 112.91 112.96 1n63 h THR 97 Ca 0.21 -1.16 0.08 0.00 0.77 0.00 0.00 66.41 66.31 1n63 h THR 97 Cb 0.17 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1n63 h THR 97 CO -0.02 0.32 0.45 0.28 0.37 0.00 0.00 175.52 176.91 1n63 h SER 98 N -0.31 0.53 0.40 4.18 0.02 -0.46 0.01 113.55 117.91 1n63 h SER 98 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1n63 h SER 98 Cb 0.53 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1n63 h SER 98 CO 0.01 0.33 0.00 0.18 -1.14 0.00 0.00 176.83 176.21 1n63 n LEU 99 N -4.48 0.00 -0.95 5.07 4.77 -0.60 -1.63 117.00 119.18 1n63 n LEU 99 Ca 0.11 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 1n63 n LEU 99 Cb 0.31 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1n63 n LEU 99 CO 0.33 -0.26 0.63 0.18 -1.33 0.00 0.00 177.39 176.94 1n63 n LEU 100 N -1.46 3.00 -4.68 2.23 4.77 -0.02 -4.92 117.00 115.92 1n63 n LEU 100 Ca 0.04 -1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 54.53 1n63 n LEU 100 Cb 0.14 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1n63 n LEU 100 CO 0.11 0.54 -0.18 -0.63 -1.33 0.00 0.00 177.39 175.90 1n63 s ILE 101 N -1.77 5.33 0.00 -0.08 1.01 -0.64 -4.86 121.20 120.18 1n63 s ILE 101 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1n63 s ILE 101 Cb 0.19 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1n63 s ILE 101 CO 0.29 0.38 0.00 0.00 0.00 0.00 0.00 174.94 175.60 1n63 n ALA 102 N 4.04 0.00 -3.34 9.38 0.00 -1.26 -4.81 120.51 124.51 1n63 n ALA 102 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1n63 n ALA 102 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1n63 n ALA 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1n63 s ASP 103 N -4.00 0.10 0.14 0.00 1.47 -1.26 -3.32 116.67 109.80 1n63 s ASP 103 Ca 0.00 -1.03 -0.18 0.00 1.18 0.00 0.00 52.55 52.52 1n63 s ASP 103 Cb 0.00 0.67 -0.00 0.00 -0.34 0.00 0.00 42.92 43.25 1n63 s ASP 103 CO 0.00 -1.30 1.75 -0.65 0.68 0.00 0.00 175.17 175.65 1n63 h PRO 104 N 2.14 0.21 -0.09 2.11 0.11 -1.99 -0.64 132.00 133.85 1n63 h PRO 104 Ca -0.26 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.87 1n63 h PRO 104 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1n63 h PRO 104 CO 0.35 0.14 -0.17 1.96 -0.21 0.00 0.00 178.00 180.07 1n63 h GLN 105 N 0.22 -0.22 -0.71 1.05 7.50 -1.99 -1.87 115.11 119.08 1n63 h GLN 105 Ca 0.12 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.30 1n63 h GLN 105 Cb 0.08 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.63 1n63 h GLN 105 CO -0.12 -0.15 0.47 0.82 -1.50 0.00 0.00 178.83 178.36 1n63 h ILE 106 N -0.23 1.16 0.00 2.54 2.04 -1.90 -2.76 117.51 118.36 1n63 h ILE 106 Ca 0.08 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1n63 h ILE 106 Cb 0.35 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1n63 h ILE 106 CO -0.23 0.17 -0.15 0.03 0.00 0.00 0.00 178.15 177.97 1n63 h ARG 107 N 0.94 0.00 0.00 2.37 3.08 -0.74 0.31 114.38 120.33 1n63 h ARG 107 Ca 0.27 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 1n63 h ARG 107 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1n63 h ARG 107 CO -0.06 0.15 -0.32 1.88 -1.07 0.00 0.00 179.97 180.55 1n63 h TYR 108 N 0.00 0.00 0.00 3.04 0.05 -1.04 -1.22 116.97 117.80 1n63 h TYR 108 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 1n63 h TYR 108 Cb 0.69 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 1n63 h TYR 108 CO 0.00 0.32 -1.88 -1.33 -1.05 0.00 0.00 178.16 174.22 1n63 n MET 109 N -3.87 0.37 -2.12 4.88 2.81 -0.72 -4.85 117.12 113.61 1n63 n MET 109 Ca -0.01 0.10 -0.40 0.00 -1.81 0.00 0.00 57.70 55.58 1n63 n MET 109 Cb 0.39 -1.25 -0.02 0.00 -0.71 0.00 0.00 33.22 31.64 1n63 n MET 109 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n63 s GLY 110 N -5.43 2.97 0.20 3.03 0.00 0.10 -3.99 107.32 104.21 1n63 s GLY 110 Ca -0.21 1.22 0.07 0.00 0.00 0.00 0.00 44.72 45.80 1n63 s GLY 110 CO 0.33 1.84 0.07 -0.51 0.00 0.00 0.00 173.10 174.83 1n63 s THR 111 N -1.19 4.00 0.19 0.90 -4.23 -1.26 -1.29 115.64 112.75 1n63 s THR 111 Ca 0.51 -1.42 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1n63 s THR 111 Cb -0.38 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.47 1n63 s THR 111 CO 0.50 -0.20 1.68 -0.29 -0.54 0.00 0.00 174.62 175.77 1n63 h ILE 112 N 2.06 1.26 -0.56 2.99 2.10 -1.10 -1.02 117.51 123.25 1n63 h ILE 112 Ca -0.47 -1.05 -0.04 0.00 1.08 0.00 0.00 64.86 64.38 1n63 h ILE 112 Cb 1.22 0.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.59 1n63 h ILE 112 CO 0.60 0.39 0.21 1.23 -1.08 0.00 0.00 178.15 179.50 1n63 h GLY 113 N 1.01 0.91 1.26 8.18 0.00 -1.15 -1.05 103.07 112.23 1n63 h GLY 113 Ca 0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1n63 h GLY 113 CO 0.02 0.48 0.12 -1.33 0.00 0.00 0.00 176.54 175.82 1n63 h GLY 114 N 0.77 0.99 1.05 4.60 0.00 -1.66 0.25 103.07 109.07 1n63 h GLY 114 Ca 0.18 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1n63 h GLY 114 CO -0.01 0.56 0.17 -0.57 0.00 0.00 0.00 176.54 176.69 1n63 h ASN 115 N 0.88 1.05 -0.18 0.19 -0.73 -0.92 -0.63 115.58 115.23 1n63 h ASN 115 Ca 0.19 -0.23 -0.12 0.00 1.87 0.00 0.00 56.30 58.01 1n63 h ASN 115 Cb 0.35 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1n63 h ASN 115 CO 0.00 1.01 -0.34 0.00 -0.37 0.00 0.00 177.43 177.73 1n63 h ALA 116 N 1.08 0.29 0.00 1.57 0.00 -0.98 -3.33 119.26 117.89 1n63 h ALA 116 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1n63 h ALA 116 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1n63 h ALA 116 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1n63 h ALA 117 N 0.59 1.00 -0.26 0.00 0.00 -0.36 -3.40 119.26 116.84 1n63 h ALA 117 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 117 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1n63 h ALA 117 CO 0.08 0.00 0.15 -0.97 0.00 0.00 0.00 179.25 178.51 1n63 h ASN 118 N 0.00 0.25 0.00 0.00 -0.00 -1.23 -3.47 115.58 111.14 1n63 h ASN 118 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1n63 h ASN 118 Cb 0.97 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.24 1n63 h ASN 118 CO 0.00 0.19 0.00 0.61 -0.00 0.00 0.00 177.43 178.23 1n63 n GLY 119 N -1.17 0.59 3.69 1.57 0.00 -1.26 -4.65 105.19 103.97 1n63 n GLY 119 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1n63 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 120 N -2.99 7.04 0.22 1.61 -1.08 -1.26 -1.03 116.67 119.18 1n63 s ASP 120 Ca 0.00 1.88 0.18 0.00 -0.52 0.00 0.00 52.55 54.09 1n63 s ASP 120 Cb 0.00 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.77 1n63 s ASP 120 CO 0.00 -0.57 1.55 -0.81 0.52 0.00 0.00 175.17 175.86 1n63 n PRO 121 N 4.92 0.12 0.24 4.34 -0.04 -1.26 -1.39 135.00 141.93 1n63 n PRO 121 Ca 0.11 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1n63 n PRO 121 Cb 0.46 -1.82 0.56 0.00 -0.04 0.00 0.00 33.50 32.66 1n63 n PRO 121 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1n63 h GLY 122 N 0.89 0.00 -3.18 0.55 0.00 -1.92 -3.01 103.07 96.39 1n63 h GLY 122 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1n63 h GLY 122 CO 0.00 0.00 0.61 -1.31 0.00 0.00 0.00 176.54 175.84 1n63 s ASN 123 N -6.18 6.01 -0.01 0.19 0.02 -0.49 -4.45 114.94 110.04 1n63 s ASN 123 Ca -0.01 2.66 0.06 0.00 -1.02 0.00 0.00 52.86 54.55 1n63 s ASN 123 Cb 0.11 -2.63 -0.24 0.00 0.02 0.00 0.00 41.25 38.51 1n63 s ASN 123 CO 0.62 -1.06 0.79 0.44 0.02 0.00 0.00 177.10 177.91 1n63 h ASP 124 N 2.28 0.14 -0.58 -1.22 3.32 -1.90 -3.37 116.42 115.09 1n63 h ASP 124 Ca -0.50 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.25 1n63 h ASP 124 Cb 1.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1n63 h ASP 124 CO 0.61 1.21 0.16 0.24 -1.72 0.00 0.00 179.24 179.73 1n63 h MET 125 N 0.03 0.96 -0.27 3.56 2.86 -1.92 -3.16 114.93 116.99 1n63 h MET 125 Ca -0.24 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1n63 h MET 125 Cb 1.97 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 33.45 1n63 h MET 125 CO 0.11 0.85 -0.05 -1.35 1.06 0.00 0.00 176.91 177.54 1n63 h PRO 126 N 0.92 0.02 -0.05 -0.22 0.11 -1.81 0.15 132.00 131.12 1n63 h PRO 126 Ca 0.20 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 1n63 h PRO 126 Cb 0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1n63 h PRO 126 CO -0.00 0.01 -0.42 0.00 -0.21 0.00 0.00 178.00 177.39 1n63 h ALA 127 N 1.26 1.23 -0.60 -0.75 0.00 -1.81 -0.95 119.26 117.62 1n63 h ALA 127 Ca 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1n63 h ALA 127 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n63 h ALA 127 CO -0.26 0.55 0.23 1.25 0.00 0.00 0.00 179.25 181.03 1n63 h LEU 128 N 0.08 0.84 -1.26 0.00 5.85 -1.32 0.37 115.31 119.87 1n63 h LEU 128 Ca 0.01 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1n63 h LEU 128 Cb 0.77 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1n63 h LEU 128 CO 0.06 0.79 -0.33 0.24 -0.34 0.00 0.00 178.44 178.86 1n63 h MET 129 N 0.84 0.00 -0.12 1.25 2.86 -0.24 -0.65 114.93 118.87 1n63 h MET 129 Ca 0.20 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 1n63 h MET 129 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1n63 h MET 129 CO -0.02 0.33 -0.43 1.96 1.06 0.00 0.00 176.91 179.81 1n63 h GLN 130 N 0.00 0.51 -0.60 1.72 4.20 -0.95 0.11 115.11 120.11 1n63 h GLN 130 Ca -0.00 -0.39 0.09 0.00 0.06 0.00 0.00 58.65 58.41 1n63 h GLN 130 Cb 0.70 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 1n63 h GLN 130 CO 0.04 1.01 0.22 0.00 -0.67 0.00 0.00 178.83 179.43 1n63 n LEU 132 N -5.01 0.08 -3.28 0.00 4.77 -0.29 -4.69 117.00 108.58 1n63 n LEU 132 Ca 0.08 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 1n63 n LEU 132 Cb 0.27 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1n63 n LEU 132 CO 0.22 0.02 0.22 0.61 -1.33 0.00 0.00 177.39 177.12 1n63 n GLY 133 N 1.30 -0.39 3.80 -0.72 0.00 -0.55 -4.44 105.19 104.20 1n63 n GLY 133 Ca 0.14 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1n63 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 134 N -3.29 2.66 -0.04 4.61 0.00 -0.08 -4.61 121.76 121.02 1n63 s ALA 134 Ca 0.51 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.81 1n63 s ALA 134 Cb -0.22 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1n63 s ALA 134 CO 0.66 -1.06 -0.22 0.00 0.00 0.00 0.00 175.76 175.13 1n63 s ALA 135 N -2.69 2.32 -0.26 0.00 0.00 0.39 -1.14 121.76 120.37 1n63 s ALA 135 Ca 0.62 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1n63 s ALA 135 Cb -0.16 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1n63 s ALA 135 CO 0.45 0.51 0.16 0.71 0.00 0.00 0.00 175.76 177.59 1n63 s TYR 136 N -0.53 3.24 -0.19 0.00 2.02 0.47 -0.49 117.35 121.86 1n63 s TYR 136 Ca 0.07 0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.63 1n63 s TYR 136 Cb -0.11 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1n63 s TYR 136 CO 0.00 -0.08 0.71 -1.21 -1.57 0.00 0.00 175.55 173.40 1n63 s GLU 137 N 1.40 4.24 -0.05 -0.62 2.02 -0.19 -1.37 118.70 124.12 1n63 s GLU 137 Ca 0.07 0.77 0.05 0.00 0.02 0.00 0.00 54.97 55.88 1n63 s GLU 137 Cb -0.15 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.48 1n63 s GLU 137 CO 0.07 -0.29 -0.19 -0.51 0.02 0.00 0.00 175.26 174.36 1n63 s LEU 138 N 2.05 2.44 -0.05 1.80 1.43 0.08 -0.69 118.68 125.75 1n63 s LEU 138 Ca 0.32 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1n63 s LEU 138 Cb -0.16 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1n63 s LEU 138 CO 0.11 0.31 -0.23 -0.89 0.23 0.00 0.00 176.35 175.87 1n63 s THR 139 N -0.52 1.89 0.00 5.49 2.01 0.05 -1.04 115.64 123.52 1n63 s THR 139 Ca 0.07 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1n63 s THR 139 Cb -0.11 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1n63 s THR 139 CO 0.01 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1n63 n GLY 140 N 2.88 4.26 0.24 4.40 0.00 -0.40 -1.20 105.19 115.37 1n63 n GLY 140 Ca -0.17 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1n63 n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n63 h PRO 141 N 0.00 0.00 -0.22 1.61 0.13 -1.87 -1.08 132.00 130.57 1n63 h PRO 141 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1n63 h PRO 141 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1n63 h PRO 141 CO 0.00 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 178.33 1n63 n GLU 142 N -3.43 2.13 0.00 0.86 1.02 -1.26 -5.05 120.64 114.90 1n63 n GLU 142 Ca -0.01 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1n63 n GLU 142 Cb 0.35 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1n63 n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n63 n GLY 143 N 1.32 -0.24 3.90 0.62 0.00 -0.41 -5.04 105.19 105.34 1n63 n GLY 143 Ca 0.17 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1n63 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 144 N -2.00 3.75 0.23 4.61 0.00 -1.26 -1.28 121.76 125.80 1n63 s ALA 144 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1n63 s ALA 144 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1n63 s ALA 144 CO 0.00 0.59 0.57 -0.98 0.00 0.00 0.00 175.76 175.94 1n63 s ARG 145 N -2.83 1.52 -0.08 0.00 1.70 -0.21 -5.01 118.95 114.04 1n63 s ARG 145 Ca 0.42 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.77 1n63 s ARG 145 Cb -0.12 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 1n63 s ARG 145 CO 0.25 -0.66 -0.23 0.42 -1.08 0.00 0.00 175.30 174.01 1n63 s ILE 146 N -3.91 2.22 -0.11 4.99 1.01 -1.26 -0.74 121.20 123.40 1n63 s ILE 146 Ca 0.12 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1n63 s ILE 146 Cb -0.02 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1n63 s ILE 146 CO 0.02 0.56 -0.14 -0.69 0.00 0.00 0.00 174.94 174.69 1n63 s VAL 147 N 0.03 1.45 0.48 2.92 1.01 -0.47 -4.96 120.40 120.86 1n63 s VAL 147 Ca -0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1n63 s VAL 147 Cb -0.15 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 1n63 s VAL 147 CO 0.06 0.43 1.17 0.00 0.00 0.00 0.00 175.10 176.76 1n63 n ALA 148 N 4.33 0.91 -0.21 5.51 0.00 -1.26 -0.40 120.51 129.39 1n63 n ALA 148 Ca -0.18 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1n63 n ALA 148 Cb 0.51 -2.22 0.34 0.00 0.00 0.00 0.00 19.45 18.08 1n63 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n63 h ALA 149 N 1.54 1.68 0.00 0.00 0.00 -1.45 0.41 119.26 121.44 1n63 h ALA 149 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n63 h ALA 149 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1n63 h ALA 149 CO 0.57 0.19 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1n63 h ARG 150 N 0.79 0.00 -0.30 0.00 3.08 -1.88 -2.75 114.38 113.32 1n63 h ARG 150 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1n63 h ARG 150 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1n63 h ARG 150 CO -0.12 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.53 1n63 n ASP 151 N -2.99 2.79 0.07 7.04 8.00 0.10 -4.69 116.55 126.88 1n63 n ASP 151 Ca -0.01 -1.89 0.07 0.00 0.71 0.00 0.00 54.79 53.67 1n63 n ASP 151 Cb 0.17 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 1n63 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n63 n TYR 152 N 0.63 0.97 -4.33 1.24 9.36 -1.03 -4.73 117.16 119.28 1n63 n TYR 152 Ca 0.11 0.30 -0.34 0.00 3.32 0.00 0.00 57.90 61.30 1n63 n TYR 152 Cb 0.41 -1.01 -0.14 0.00 -0.63 0.00 0.00 39.34 37.97 1n63 n TYR 152 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1n63 s TYR 153 N -3.18 2.90 -0.04 2.98 2.02 -1.26 -0.63 117.35 120.14 1n63 s TYR 153 Ca -0.02 -0.77 0.08 0.00 -0.37 0.00 0.00 57.07 55.99 1n63 s TYR 153 Cb 0.09 -1.97 -0.12 0.00 -0.40 0.00 0.00 41.96 39.56 1n63 s TYR 153 CO 0.80 -0.36 0.12 1.04 -1.57 0.00 0.00 175.55 175.58 1n63 n GLN 154 N 4.11 1.21 0.00 -0.62 3.00 0.05 -4.99 117.38 120.14 1n63 n GLN 154 Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 1n63 n GLN 154 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1n63 n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 155 N 2.22 -0.58 3.68 1.08 0.00 -0.94 -4.90 105.19 105.73 1n63 n GLY 155 Ca -0.06 -0.99 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 1n63 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 156 N -0.12 0.98 -2.25 4.61 0.00 -1.06 -1.40 120.51 121.26 1n63 n ALA 156 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 1n63 n ALA 156 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 16.91 1n63 n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n63 n TYR 157 N 6.66 -0.91 -3.89 0.00 4.01 -0.20 -4.98 117.16 117.86 1n63 n TYR 157 Ca 0.22 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.68 1n63 n TYR 157 Cb 0.31 -3.64 -0.16 0.00 -0.31 0.00 0.00 39.34 35.53 1n63 n TYR 157 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1n63 s PHE 158 N -2.89 1.68 0.24 -0.72 0.40 -0.49 -5.01 117.98 111.19 1n63 s PHE 158 Ca 0.00 -1.05 0.01 0.00 -0.60 0.00 0.00 56.93 55.29 1n63 s PHE 158 Cb 0.00 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1n63 s PHE 158 CO 0.00 -0.61 0.13 0.95 0.70 0.00 0.00 175.22 176.39 1n63 s THR 159 N 1.64 0.25 -1.88 0.64 -4.23 -1.26 -0.77 115.64 110.03 1n63 s THR 159 Ca 0.01 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.80 1n63 s THR 159 Cb -0.15 -2.55 0.74 0.00 1.34 0.00 0.00 72.50 71.88 1n63 s THR 159 CO -0.08 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.02 1n63 n ALA 160 N -0.40 2.52 -1.69 3.99 0.00 0.20 -4.88 120.51 120.25 1n63 n ALA 160 Ca 0.01 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1n63 n ALA 160 Cb 0.66 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.67 1n63 n ALA 160 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1n63 s ILE 161 N -2.12 3.13 0.43 0.00 2.07 -1.26 -5.03 121.20 118.43 1n63 s ILE 161 Ca 0.39 0.65 0.07 0.00 -1.41 0.00 0.00 60.65 60.35 1n63 s ILE 161 Cb 0.19 -3.22 -0.03 0.00 0.13 0.00 0.00 42.46 39.53 1n63 s ILE 161 CO 0.35 -0.20 0.24 -1.61 -1.91 0.00 0.00 174.94 171.81 1n63 s GLU 162 N -3.52 2.29 0.12 3.50 0.41 -1.26 -5.05 118.70 115.19 1n63 s GLU 162 Ca 0.72 -1.83 -0.31 0.00 -0.41 0.00 0.00 54.97 53.14 1n63 s GLU 162 Cb -0.24 -2.06 -0.09 0.00 -1.78 0.00 0.00 34.13 29.97 1n63 s GLU 162 CO 0.32 -0.21 1.53 -1.25 -0.49 0.00 0.00 175.26 175.15 1n63 s PRO 163 N -4.00 4.24 0.00 0.39 0.04 -1.26 -1.95 135.00 132.46 1n63 s PRO 163 Ca 0.40 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1n63 s PRO 163 Cb 0.02 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1n63 s PRO 163 CO 0.23 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1n63 n GLY 164 N 3.73 0.72 3.90 0.56 0.00 -1.26 -4.78 105.19 108.06 1n63 n GLY 164 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1n63 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n63 s GLU 165 N -0.35 3.54 -0.04 1.61 2.02 -0.82 -4.31 118.70 120.34 1n63 s GLU 165 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.82 1n63 s GLU 165 Cb 0.00 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1n63 s GLU 165 CO 0.00 0.61 -0.10 -0.51 0.02 0.00 0.00 175.26 175.28 1n63 s LEU 166 N -2.12 3.01 -0.26 1.80 1.43 -0.35 -4.89 118.68 117.31 1n63 s LEU 166 Ca 0.32 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1n63 s LEU 166 Cb -0.13 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1n63 s LEU 166 CO 0.21 0.33 1.24 -0.22 0.23 0.00 0.00 176.35 178.14 1n63 s LEU 167 N -0.95 3.99 -0.14 1.79 0.20 -1.26 -0.77 118.68 121.54 1n63 s LEU 167 Ca 0.13 1.34 0.19 0.00 0.69 0.00 0.00 54.13 56.48 1n63 s LEU 167 Cb -0.11 -3.54 -0.28 0.00 -0.43 0.00 0.00 46.19 41.84 1n63 s LEU 167 CO 0.03 -0.92 0.21 0.35 -0.29 0.00 0.00 176.35 175.72 1n63 n THR 168 N 5.84 0.91 -3.49 3.68 -2.24 0.13 -4.67 114.28 114.44 1n63 n THR 168 Ca 0.14 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1n63 n THR 168 Cb 0.46 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1n63 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s ALA 169 N -2.83 -1.75 -0.16 6.98 0.00 -1.21 -1.65 121.76 121.14 1n63 s ALA 169 Ca -0.09 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1n63 s ALA 169 Cb 0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1n63 s ALA 169 CO 0.84 -0.58 -0.15 0.42 0.00 0.00 0.00 175.76 176.29 1n63 s ILE 170 N -2.54 2.60 -0.29 0.00 1.01 -0.08 -1.03 121.20 120.88 1n63 s ILE 170 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1n63 s ILE 170 Cb -0.01 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1n63 s ILE 170 CO -0.04 0.51 0.08 -0.60 0.00 0.00 0.00 174.94 174.89 1n63 s ARG 171 N 0.95 3.11 -0.18 2.79 3.52 0.36 -0.64 118.95 128.85 1n63 s ARG 171 Ca -0.03 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1n63 s ARG 171 Cb -0.15 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1n63 s ARG 171 CO -0.02 -0.43 -0.17 0.42 -0.81 0.00 0.00 175.30 174.28 1n63 s ILE 172 N 1.50 2.35 0.30 4.11 1.01 0.51 -0.47 121.20 130.53 1n63 s ILE 172 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 1n63 s ILE 172 Cb -0.17 -2.01 -0.11 0.00 0.01 0.00 0.00 42.46 40.19 1n63 s ILE 172 CO 0.02 0.52 1.46 -2.84 0.00 0.00 0.00 174.94 174.10 1n63 s PRO 173 N 1.26 4.21 -0.27 2.79 0.02 -1.26 -0.77 135.00 140.98 1n63 s PRO 173 Ca 0.04 2.42 -0.25 0.00 0.02 0.00 0.00 61.00 63.22 1n63 s PRO 173 Cb -0.14 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1n63 s PRO 173 CO -0.10 -0.46 0.86 0.08 -0.33 0.00 0.00 177.00 177.06 1n63 s VAL 174 N -0.46 4.78 0.91 3.83 1.01 -0.46 -4.84 120.40 125.16 1n63 s VAL 174 Ca 0.57 1.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.96 1n63 s VAL 174 Cb -0.44 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 31.91 1n63 s VAL 174 CO 0.51 -0.17 1.14 -2.84 0.00 0.00 0.00 175.10 173.73 1n63 s PRO 175 N 2.98 1.04 0.66 2.72 0.02 -1.26 -4.94 135.00 136.22 1n63 s PRO 175 Ca 0.36 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.70 1n63 s PRO 175 Cb -0.15 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 1n63 s PRO 175 CO 0.09 -2.60 1.16 -2.30 -0.33 0.00 0.00 177.00 173.03 1n63 n PRO 176 N -4.21 0.92 -1.58 5.54 -0.02 -1.26 -4.91 135.00 129.48 1n63 n PRO 176 Ca 0.11 0.37 -0.49 0.00 -2.02 0.00 0.00 63.50 61.47 1n63 n PRO 176 Cb 0.52 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1n63 n PRO 176 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1n63 n THR 177 N -2.04 0.82 -0.84 3.45 -1.04 -1.26 -1.59 114.28 111.78 1n63 n THR 177 Ca 0.15 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1n63 n THR 177 Cb 0.48 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1n63 n THR 177 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n63 n GLY 178 N 2.05 0.76 3.74 3.41 0.00 -1.26 -5.03 105.19 108.86 1n63 n GLY 178 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1n63 n GLY 178 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n63 s HIS 179 N -2.89 2.27 0.38 1.61 -0.00 -0.62 -4.41 115.29 111.63 1n63 s HIS 179 Ca 0.00 1.57 -0.09 0.00 -0.00 0.00 0.00 55.06 56.54 1n63 s HIS 179 Cb 0.00 -3.41 -0.06 0.00 -0.00 0.00 0.00 32.58 29.11 1n63 s HIS 179 CO 0.00 -2.30 0.71 0.20 -0.00 0.00 0.00 174.74 173.36 1n63 s GLY 180 N -2.04 1.91 0.04 -1.38 0.00 0.50 -4.42 107.32 101.93 1n63 s GLY 180 Ca 0.73 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 1n63 s GLY 180 CO 0.41 -0.14 0.60 -2.52 0.00 0.00 0.00 173.10 171.45 1n63 s TYR 181 N -2.31 -0.54 -0.19 1.90 1.13 -1.26 -1.48 117.35 114.60 1n63 s TYR 181 Ca 0.49 0.68 -0.29 0.00 -1.41 0.00 0.00 57.07 56.54 1n63 s TYR 181 Cb -0.10 0.43 0.13 0.00 -1.10 0.00 0.00 41.96 41.31 1n63 s TYR 181 CO 0.31 -0.69 1.00 0.00 -2.51 0.00 0.00 175.55 173.67 1n63 s ALA 182 N -2.34 -1.94 -0.15 9.51 0.00 -0.50 -3.88 121.76 122.46 1n63 s ALA 182 Ca -0.06 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1n63 s ALA 182 Cb -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1n63 s ALA 182 CO -0.00 -0.29 -0.11 -0.47 0.00 0.00 0.00 175.76 174.88 1n63 s TYR 183 N -0.77 2.04 -0.18 0.00 5.04 -1.26 -0.97 117.35 121.25 1n63 s TYR 183 Ca -0.01 -1.18 0.01 0.00 -2.44 0.00 0.00 57.07 53.45 1n63 s TYR 183 Cb -0.02 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 40.81 1n63 s TYR 183 CO -0.00 -0.65 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.36 1n63 s GLU 184 N 1.53 2.98 -0.04 4.97 2.56 -0.25 -4.90 118.70 125.55 1n63 s GLU 184 Ca 0.04 -0.84 0.05 0.00 0.00 0.00 0.00 54.97 54.22 1n63 s GLU 184 Cb -0.14 -2.58 -0.01 0.00 2.00 0.00 0.00 34.13 33.41 1n63 s GLU 184 CO -0.10 -0.22 -0.21 0.21 -0.56 0.00 0.00 175.26 174.39 1n63 s LYS 185 N 1.29 2.04 -0.18 4.30 2.20 -1.26 -1.21 119.74 126.92 1n63 s LYS 185 Ca 0.05 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1n63 s LYS 185 Cb -0.13 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 1n63 s LYS 185 CO -0.13 0.33 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.97 1n63 s LEU 186 N -0.12 3.08 0.21 5.43 2.96 -0.32 -5.02 118.68 124.90 1n63 s LEU 186 Ca -0.02 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1n63 s LEU 186 Cb -0.12 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1n63 s LEU 186 CO 0.02 0.10 0.36 -1.59 -1.32 0.00 0.00 176.35 173.92 1n63 s LYS 187 N 0.78 1.36 0.12 1.98 -2.85 -1.26 -0.36 119.74 119.50 1n63 s LYS 187 Ca -0.02 -1.28 0.05 0.00 -1.00 0.00 0.00 55.97 53.73 1n63 s LYS 187 Cb -0.15 0.41 -0.20 0.00 -2.06 0.00 0.00 37.83 35.83 1n63 s LYS 187 CO 0.02 -0.53 1.27 0.00 0.10 0.00 0.00 175.35 176.21 1n63 h ARG 188 N 2.41 0.05 -1.80 1.78 3.08 -1.88 -3.48 114.38 114.53 1n63 h ARG 188 Ca -0.30 -0.08 0.24 0.00 0.07 0.00 0.00 59.98 59.92 1n63 h ARG 188 Cb 1.24 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 1n63 h ARG 188 CO 0.43 1.02 0.69 -1.59 -1.07 0.00 0.00 179.97 179.45 1n63 s LYS 189 N -2.74 0.64 0.10 0.04 -2.85 -1.26 -5.07 119.74 108.60 1n63 s LYS 189 Ca 0.00 -0.32 -0.35 0.00 -1.00 0.00 0.00 55.97 54.30 1n63 s LYS 189 Cb 0.10 0.24 -0.18 0.00 -2.06 0.00 0.00 37.83 35.93 1n63 s LYS 189 CO 0.83 -0.29 1.03 -0.89 0.10 0.00 0.00 175.35 176.13 1n63 n ILE 190 N -0.36 0.68 0.00 3.79 2.08 -1.26 -1.57 119.36 122.72 1n63 n ILE 190 Ca -0.06 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1n63 n ILE 190 Cb 0.61 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1n63 n ILE 190 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1n63 n GLY 191 N 1.87 3.23 3.76 7.39 0.00 -1.21 -5.02 105.19 115.21 1n63 n GLY 191 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 192 N -1.05 7.14 0.66 1.61 2.15 -0.61 -4.58 116.67 122.00 1n63 s ASP 192 Ca 0.00 2.38 -0.17 0.00 0.43 0.00 0.00 52.55 55.19 1n63 s ASP 192 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1n63 s ASP 192 CO 0.00 -0.24 1.19 -0.31 -0.17 0.00 0.00 175.17 175.64 1n63 s TYR 193 N -1.15 2.28 0.27 -5.34 1.51 -1.26 -4.84 117.35 108.81 1n63 s TYR 193 Ca 0.46 1.56 -0.30 0.00 -1.01 0.00 0.00 57.07 57.77 1n63 s TYR 193 Cb -0.34 -3.43 -0.10 0.00 -0.11 0.00 0.00 41.96 37.98 1n63 s TYR 193 CO 0.44 -2.31 1.42 0.00 -1.11 0.00 0.00 175.55 173.99 1n63 s ALA 194 N -1.87 3.60 0.19 3.71 0.00 -1.26 -4.68 121.76 121.44 1n63 s ALA 194 Ca 0.74 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.91 1n63 s ALA 194 Cb -0.28 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.45 1n63 s ALA 194 CO 0.40 -0.73 1.81 1.15 0.00 0.00 0.00 175.76 178.38 1n63 h THR 195 N 3.44 1.01 -1.96 0.00 2.02 -1.04 -3.45 112.91 112.93 1n63 h THR 195 Ca -0.47 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1n63 h THR 195 Cb 1.22 0.33 -0.19 0.00 -1.74 0.00 0.00 68.15 67.77 1n63 h THR 195 CO 0.75 0.11 0.26 0.00 0.37 0.00 0.00 175.52 177.02 1n63 s ALA 196 N -6.12 -1.80 0.05 6.16 0.00 -1.21 -4.75 121.76 114.09 1n63 s ALA 196 Ca -0.13 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 1n63 s ALA 196 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1n63 s ALA 196 CO 0.75 -0.38 0.12 0.00 0.00 0.00 0.00 175.76 176.25 1n63 s ALA 197 N -1.29 -0.06 -0.02 0.00 0.00 -1.02 -1.18 121.76 118.19 1n63 s ALA 197 Ca -0.09 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1n63 s ALA 197 Cb -0.00 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1n63 s ALA 197 CO 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 175.76 175.35 1n63 s ALA 198 N -3.15 0.88 -0.12 0.00 0.00 -0.35 -0.86 121.76 118.16 1n63 s ALA 198 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1n63 s ALA 198 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1n63 s ALA 198 CO -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 175.76 175.83 1n63 s ALA 199 N 0.02 3.09 -0.02 0.00 0.00 0.03 -1.08 121.76 123.80 1n63 s ALA 199 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1n63 s ALA 199 Cb -0.07 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1n63 s ALA 199 CO 0.00 0.38 -0.03 0.08 0.00 0.00 0.00 175.76 176.18 1n63 s VAL 200 N -0.18 0.36 -0.01 0.00 1.01 -0.14 -0.64 120.40 120.80 1n63 s VAL 200 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1n63 s VAL 200 Cb -0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 1n63 s VAL 200 CO 0.02 0.14 -0.10 -0.69 0.00 0.00 0.00 175.10 174.47 1n63 s VAL 201 N 0.40 0.82 0.07 2.92 1.01 -0.81 -1.41 120.40 123.39 1n63 s VAL 201 Ca -0.04 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1n63 s VAL 201 Cb -0.08 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1n63 s VAL 201 CO -0.00 0.24 0.43 -1.48 0.00 0.00 0.00 175.10 174.29 1n63 s LEU 202 N -0.08 0.29 0.15 3.92 0.05 -0.55 -1.15 118.68 121.31 1n63 s LEU 202 Ca 0.01 -0.07 0.09 0.00 0.05 0.00 0.00 54.13 54.21 1n63 s LEU 202 Cb -0.06 1.86 -0.04 0.00 -2.05 0.00 0.00 46.19 45.91 1n63 s LEU 202 CO -0.00 -0.74 -0.19 0.42 -0.55 0.00 0.00 176.35 175.29 1n63 s THR 203 N -2.91 1.82 0.16 5.48 -4.23 -0.60 -0.37 115.64 114.98 1n63 s THR 203 Ca -0.03 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1n63 s THR 203 Cb 0.00 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1n63 s THR 203 CO -0.05 -0.24 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.59 1n63 s MET 204 N -2.56 1.19 -0.17 3.99 -1.94 -1.26 -0.78 119.30 117.77 1n63 s MET 204 Ca 0.14 -1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 52.60 1n63 s MET 204 Cb -0.07 -1.11 0.05 0.00 2.01 0.00 0.00 34.83 35.71 1n63 s MET 204 CO 0.06 0.21 0.44 0.45 -0.01 0.00 0.00 175.02 176.18 1n63 s SER 205 N -2.74 -0.51 -1.47 3.03 0.15 0.29 -4.87 113.70 107.57 1n63 s SER 205 Ca 0.15 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1n63 s SER 205 Cb -0.04 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1n63 s SER 205 CO 0.05 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1n63 n GLY 206 N 3.53 -0.40 1.66 9.45 0.00 -1.26 -1.27 105.19 116.90 1n63 n GLY 206 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n63 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 207 N -0.89 0.74 3.28 -0.02 0.00 -1.26 -5.01 105.19 102.02 1n63 n GLY 207 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1n63 n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n63 s LYS 208 N -0.32 1.58 0.04 1.61 3.01 -0.40 -4.37 119.74 120.89 1n63 s LYS 208 Ca 0.00 -0.97 -0.30 0.00 -1.01 0.00 0.00 55.97 53.69 1n63 s LYS 208 Cb 0.00 -1.68 -0.05 0.00 -1.01 0.00 0.00 37.83 35.08 1n63 s LYS 208 CO 0.00 0.44 1.25 0.00 0.51 0.00 0.00 175.35 177.55 1n63 n VAL 210 N 4.16 1.53 -4.02 0.00 0.31 0.04 0.19 118.33 120.54 1n63 n VAL 210 Ca 0.10 -0.56 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 1n63 n VAL 210 Cb 0.45 -1.49 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 1n63 n VAL 210 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1n63 s THR 211 N -2.52 0.32 -0.17 2.52 -4.23 -1.21 -4.80 115.64 105.54 1n63 s THR 211 Ca -0.34 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 1n63 s THR 211 Cb 0.09 -0.46 0.05 0.00 1.34 0.00 0.00 72.50 73.53 1n63 s THR 211 CO 0.61 -0.46 0.53 0.00 -0.54 0.00 0.00 174.62 174.76 1n63 s ALA 212 N -1.49 -1.31 -0.02 3.99 0.00 -1.26 -1.56 121.76 120.12 1n63 s ALA 212 Ca -0.13 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1n63 s ALA 212 Cb -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1n63 s ALA 212 CO -0.01 -0.26 0.05 0.45 0.00 0.00 0.00 175.76 175.99 1n63 s SER 213 N 0.03 -0.03 -0.05 0.00 0.15 -0.30 -4.53 113.70 108.96 1n63 s SER 213 Ca -0.02 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1n63 s SER 213 Cb -0.04 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1n63 s SER 213 CO 0.02 -0.05 -0.06 -0.63 1.20 0.00 0.00 173.24 173.72 1n63 s ILE 214 N -0.11 0.71 0.15 6.45 1.01 -1.26 -1.93 121.20 126.23 1n63 s ILE 214 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1n63 s ILE 214 Cb -0.01 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1n63 s ILE 214 CO 0.00 0.27 -0.05 -0.83 0.00 0.00 0.00 174.94 174.33 1n63 s GLY 215 N 0.94 1.76 -0.07 6.18 0.00 0.19 -0.86 107.32 115.46 1n63 s GLY 215 Ca -0.10 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1n63 s GLY 215 CO 0.00 -1.35 -0.13 1.08 0.00 0.00 0.00 173.10 172.70 1n63 s LEU 216 N -2.68 1.65 -0.15 0.66 1.43 0.58 -0.79 118.68 119.38 1n63 s LEU 216 Ca 0.25 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1n63 s LEU 216 Cb -0.10 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1n63 s LEU 216 CO 0.16 0.03 0.01 -0.89 0.23 0.00 0.00 176.35 175.90 1n63 s THR 217 N 0.70 4.36 -1.42 5.49 2.01 -0.04 -1.48 115.64 125.26 1n63 s THR 217 Ca -0.14 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 1n63 s THR 217 Cb -0.16 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1n63 s THR 217 CO 0.03 0.51 0.87 -3.20 -0.69 0.00 0.00 174.62 172.14 1n63 n ASN 218 N 3.19 -6.16 -0.83 3.53 5.15 -1.14 -2.44 115.26 116.56 1n63 n ASN 218 Ca -0.17 -0.40 0.05 0.00 -0.60 0.00 0.00 54.58 53.46 1n63 n ASN 218 Cb 0.53 -4.88 0.12 0.00 -0.53 0.00 0.00 39.78 35.02 1n63 n ASN 218 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1n63 n VAL 219 N -4.72 1.29 -3.76 3.44 0.24 -1.26 -4.71 118.33 108.84 1n63 n VAL 219 Ca -0.05 -2.16 -0.02 0.00 -2.04 0.00 0.00 64.34 60.06 1n63 n VAL 219 Cb 0.59 0.22 0.01 0.00 -1.47 0.00 0.00 33.84 33.20 1n63 n VAL 219 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n63 n ALA 220 N -0.54 -1.91 1.72 2.33 0.00 -1.25 -0.20 120.51 120.66 1n63 n ALA 220 Ca 0.13 -0.73 0.15 0.00 0.00 0.00 0.00 53.44 53.00 1n63 n ALA 220 Cb 0.84 0.41 0.84 0.00 0.00 0.00 0.00 19.45 21.53 1n63 n ALA 220 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n63 n ASN 221 N -1.09 0.09 -4.22 0.00 2.04 -1.26 -4.72 115.26 106.10 1n63 n ASN 221 Ca -0.02 -0.66 -0.12 0.00 -0.44 0.00 0.00 54.58 53.34 1n63 n ASN 221 Cb 0.41 -0.11 -0.10 0.00 -2.53 0.00 0.00 39.78 37.45 1n63 n ASN 221 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1n63 s THR 222 N -2.25 0.66 0.79 5.53 -4.23 -1.26 -2.56 115.64 112.31 1n63 s THR 222 Ca 0.39 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 1n63 s THR 222 Cb 0.21 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1n63 s THR 222 CO 0.41 -0.59 0.28 -0.81 -0.54 0.00 0.00 174.62 173.37 1n63 n PRO 223 N -0.18 0.10 -4.60 3.99 -0.04 -1.26 -4.60 135.00 128.42 1n63 n PRO 223 Ca -0.08 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.23 1n63 n PRO 223 Cb 0.62 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 1n63 n PRO 223 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n63 s LEU 224 N 1.06 1.94 -0.31 1.53 1.43 -0.55 -5.00 118.68 118.79 1n63 s LEU 224 Ca 0.60 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 1n63 s LEU 224 Cb -0.31 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1n63 s LEU 224 CO 0.64 0.14 0.38 0.86 0.23 0.00 0.00 176.35 178.60 1n63 s TRP 225 N -0.11 3.22 -1.25 0.29 -0.00 -1.26 -0.30 118.94 119.52 1n63 s TRP 225 Ca 0.01 0.21 -0.10 0.00 -0.00 0.00 0.00 56.10 56.22 1n63 s TRP 225 Cb -0.07 -2.65 0.17 0.00 -0.00 0.00 0.00 33.47 30.92 1n63 s TRP 225 CO 0.00 -0.35 1.74 0.00 -0.00 0.00 0.00 176.95 178.35 1n63 n ALA 226 N 5.40 4.96 0.10 5.86 0.00 -0.04 -4.82 120.51 131.97 1n63 n ALA 226 Ca -0.08 -4.32 -0.12 0.00 0.00 0.00 0.00 53.44 48.91 1n63 n ALA 226 Cb 0.50 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 16.93 1n63 n ALA 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n63 h GLU 227 N 6.10 -0.39 -0.32 0.00 4.81 -1.95 -2.16 114.58 120.67 1n63 h GLU 227 Ca 0.37 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1n63 h GLU 227 Cb 0.69 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1n63 h GLU 227 CO 1.51 -0.26 -0.04 0.93 -0.73 0.00 0.00 179.01 180.42 1n63 h GLU 228 N -0.40 0.52 -0.38 1.92 5.08 -1.91 -2.09 114.58 117.31 1n63 h GLU 228 Ca 0.03 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1n63 h GLU 228 Cb 0.44 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1n63 h GLU 228 CO -0.14 0.58 -0.10 0.00 -1.00 0.00 0.00 179.01 178.34 1n63 h ALA 229 N 1.47 1.11 -0.37 3.43 0.00 -1.76 -2.00 119.26 121.13 1n63 h ALA 229 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1n63 h ALA 229 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1n63 h ALA 229 CO 0.02 0.56 -0.18 0.78 0.00 0.00 0.00 179.25 180.43 1n63 h GLY 230 N 0.96 0.85 1.48 0.00 0.00 -1.10 -3.12 103.07 102.14 1n63 h GLY 230 Ca 0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1n63 h GLY 230 CO 0.03 0.69 0.26 1.70 0.00 0.00 0.00 176.54 179.22 1n63 h LYS 231 N 0.57 0.69 0.00 4.80 3.64 -0.94 -1.76 116.57 123.57 1n63 h LYS 231 Ca 0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1n63 h LYS 231 Cb 0.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1n63 h LYS 231 CO 0.05 0.52 0.00 1.55 -2.27 0.00 0.00 179.45 179.30 1n63 n VAL 232 N -4.40 0.67 0.07 2.00 3.14 -0.79 -1.79 118.33 117.23 1n63 n VAL 232 Ca 0.04 -0.05 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1n63 n VAL 232 Cb 0.11 -0.83 -0.09 0.00 -1.06 0.00 0.00 33.84 31.97 1n63 n VAL 232 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1n63 h LEU 233 N 0.00 0.07 -9.60 6.55 3.38 -1.36 -3.44 115.31 110.90 1n63 h LEU 233 Ca 0.00 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 1n63 h LEU 233 Cb 0.56 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 41.33 1n63 h LEU 233 CO 0.00 1.01 0.89 -0.69 0.09 0.00 0.00 178.44 179.74 1n63 s VAL 234 N -2.82 2.63 0.00 1.22 1.01 -0.74 -1.95 120.40 119.75 1n63 s VAL 234 Ca -0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1n63 s VAL 234 Cb 0.10 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1n63 s VAL 234 CO 0.82 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1n63 n GLY 235 N 3.78 0.74 3.81 4.51 0.00 0.13 -4.99 105.19 113.16 1n63 n GLY 235 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1n63 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n63 s THR 236 N -2.71 3.07 -1.87 2.61 -4.23 -0.82 -4.76 115.64 106.93 1n63 s THR 236 Ca 0.00 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1n63 s THR 236 Cb 0.00 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.95 1n63 s THR 236 CO 0.00 -0.12 1.11 0.00 -0.54 0.00 0.00 174.62 175.06 1n63 n ALA 237 N -1.32 2.51 -3.61 3.99 0.00 -1.26 -0.66 120.51 120.15 1n63 n ALA 237 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1n63 n ALA 237 Cb 0.61 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 19.12 1n63 n ALA 237 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n63 n LEU 238 N 0.07 -3.48 -4.89 0.00 4.77 -1.26 -4.93 117.00 107.29 1n63 n LEU 238 Ca 0.06 -0.80 -0.25 0.00 -0.03 0.00 0.00 56.01 54.99 1n63 n LEU 238 Cb 0.20 -2.76 -0.01 0.00 -2.33 0.00 0.00 43.42 38.52 1n63 n LEU 238 CO 0.05 0.38 0.03 1.51 -1.33 0.00 0.00 177.39 178.02 1n63 s ASP 239 N -4.16 4.66 0.24 -1.43 1.47 -1.26 -4.86 116.67 111.33 1n63 s ASP 239 Ca 0.10 -1.17 -0.05 0.00 1.18 0.00 0.00 52.55 52.61 1n63 s ASP 239 Cb -0.03 0.22 0.40 0.00 -0.34 0.00 0.00 42.92 43.18 1n63 s ASP 239 CO 0.80 -1.00 1.79 0.07 0.68 0.00 0.00 175.17 177.51 1n63 h LYS 240 N 0.84 0.69 -0.87 2.11 2.10 -1.99 -1.08 116.57 118.37 1n63 h LYS 240 Ca -0.38 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1n63 h LYS 240 Cb 1.29 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.43 1n63 h LYS 240 CO 0.58 0.45 0.52 -1.35 -2.00 0.00 0.00 179.45 177.66 1n63 h PRO 241 N 0.71 1.18 -0.29 0.07 0.11 -1.99 0.37 132.00 132.15 1n63 h PRO 241 Ca 0.39 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1n63 h PRO 241 Cb 0.41 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1n63 h PRO 241 CO -0.27 0.83 -0.01 0.00 -0.21 0.00 0.00 178.00 178.33 1n63 h ALA 242 N 1.28 0.39 -0.28 -0.75 0.00 -1.71 -2.58 119.26 115.62 1n63 h ALA 242 Ca 0.31 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1n63 h ALA 242 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1n63 h ALA 242 CO -0.06 0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 179.02 1n63 h LEU 243 N 0.30 0.55 -1.02 0.00 -0.00 -0.82 -2.01 115.31 112.31 1n63 h LEU 243 Ca 0.08 -0.19 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1n63 h LEU 243 Cb 0.45 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.92 1n63 h LEU 243 CO 0.02 0.79 0.65 0.44 -0.00 0.00 0.00 178.44 180.33 1n63 h ASP 244 N 0.48 1.14 -0.42 -0.43 3.32 -0.79 0.01 116.42 119.71 1n63 h ASP 244 Ca 0.07 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1n63 h ASP 244 Cb 0.69 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1n63 h ASP 244 CO 0.05 0.83 0.02 0.11 -1.72 0.00 0.00 179.24 178.53 1n63 h LYS 245 N 1.34 0.74 -0.44 3.56 1.57 -1.08 -1.82 116.57 120.43 1n63 h LYS 245 Ca 0.36 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1n63 h LYS 245 Cb -0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1n63 h LYS 245 CO -0.08 0.80 -0.11 0.00 -0.57 0.00 0.00 179.45 179.49 1n63 h ALA 246 N 0.91 0.97 -0.46 3.86 0.00 -1.08 -2.05 119.26 121.41 1n63 h ALA 246 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1n63 h ALA 246 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1n63 h ALA 246 CO 0.02 0.61 0.08 0.28 0.00 0.00 0.00 179.25 180.23 1n63 h VAL 247 N 0.73 1.25 -0.18 0.00 2.07 -0.88 -0.11 116.25 119.12 1n63 h VAL 247 Ca 0.12 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1n63 h VAL 247 Cb 0.60 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1n63 h VAL 247 CO 0.04 0.32 0.04 0.00 0.02 0.00 0.00 177.57 177.98 1n63 h ALA 248 N 0.95 0.18 -0.25 1.67 0.00 -0.98 -0.16 119.26 120.67 1n63 h ALA 248 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1n63 h ALA 248 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n63 h ALA 248 CO 0.01 -0.40 -0.18 -0.07 0.00 0.00 0.00 179.25 178.61 1n63 h LEU 249 N 0.11 0.43 -0.06 0.00 3.38 -1.07 -1.69 115.31 116.41 1n63 h LEU 249 Ca 0.08 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1n63 h LEU 249 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1n63 h LEU 249 CO -0.10 0.63 -0.28 0.00 0.09 0.00 0.00 178.44 178.77 1n63 h ALA 250 N 1.41 0.11 -0.94 1.53 0.00 -0.80 -3.33 119.26 117.25 1n63 h ALA 250 Ca 0.07 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.63 1n63 h ALA 250 Cb 0.55 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1n63 h ALA 250 CO 0.04 0.14 0.58 0.93 0.00 0.00 0.00 179.25 180.94 1n63 h GLU 251 N -0.23 0.98 -0.23 0.00 5.08 -0.96 -2.42 114.58 116.80 1n63 h GLU 251 Ca -0.02 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1n63 h GLU 251 Cb 0.94 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1n63 h GLU 251 CO 0.06 0.65 0.17 0.00 -1.00 0.00 0.00 179.01 178.88 1n63 h ALA 252 N 1.47 2.18 -0.00 3.43 0.00 -1.41 -1.96 119.26 122.97 1n63 h ALA 252 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1n63 h ALA 252 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n63 h ALA 252 CO -0.21 -0.29 -0.52 0.44 0.00 0.00 0.00 179.25 178.67 1n63 n ILE 253 N -4.41 0.00 -1.49 0.00 -5.35 -0.92 -4.94 119.36 102.26 1n63 n ILE 253 Ca 0.02 -0.03 -0.31 0.00 -0.27 0.00 0.00 62.75 62.16 1n63 n ILE 253 Cb 0.32 0.38 0.07 0.00 -1.74 0.00 0.00 39.64 38.67 1n63 n ILE 253 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1n63 s THR 254 N -2.91 3.57 -0.46 7.28 -4.23 -0.74 -4.97 115.64 113.18 1n63 s THR 254 Ca 0.13 0.56 0.07 0.00 -1.18 0.00 0.00 61.69 61.26 1n63 s THR 254 Cb 0.18 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 71.15 1n63 s THR 254 CO 0.69 -0.62 0.89 0.00 -0.54 0.00 0.00 174.62 175.04 1n63 n ALA 255 N -3.13 -0.62 -1.43 3.99 0.00 0.72 -5.00 120.51 115.03 1n63 n ALA 255 Ca 0.09 -1.76 -0.30 0.00 0.00 0.00 0.00 53.44 51.47 1n63 n ALA 255 Cb 0.53 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 18.88 1n63 n ALA 255 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n63 s PRO 256 N 0.21 1.81 0.50 0.00 0.02 -1.07 -3.92 135.00 132.55 1n63 s PRO 256 Ca 0.30 0.71 -0.17 0.00 0.02 0.00 0.00 61.00 61.86 1n63 s PRO 256 Cb 0.24 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.80 1n63 s PRO 256 CO -0.18 -1.83 0.98 0.00 -0.33 0.00 0.00 177.00 175.65 1n63 s ALA 257 N -3.08 3.05 -0.39 -1.55 0.00 -1.26 -4.67 121.76 113.87 1n63 s ALA 257 Ca 0.62 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 1n63 s ALA 257 Cb -0.16 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1n63 s ALA 257 CO 0.55 -0.20 0.22 -1.12 0.00 0.00 0.00 175.76 175.21 1n63 s SER 258 N -2.93 5.68 0.00 0.00 0.01 -1.26 -4.18 113.70 111.02 1n63 s SER 258 Ca 0.60 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1n63 s SER 258 Cb -0.10 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1n63 s SER 258 CO 0.29 -0.43 0.00 -0.90 0.41 0.00 0.00 173.24 172.61 1n63 n ASP 259 N 4.96 0.00 0.24 2.44 5.68 -0.87 -4.98 116.55 124.02 1n63 n ASP 259 Ca -0.11 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.32 1n63 n ASP 259 Cb 0.45 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.21 1n63 n ASP 259 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1n63 h GLY 260 N 0.00 0.00 1.67 6.12 0.00 -2.03 0.33 103.07 109.16 1n63 h GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n63 h GLY 260 CO 0.00 0.00 -0.04 0.54 0.00 0.00 0.00 176.54 177.04 1n63 n ARG 261 N -2.56 0.23 0.00 4.80 1.74 -1.26 -5.01 116.66 114.59 1n63 n ARG 261 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1n63 n ARG 261 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1n63 n ARG 261 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n63 n GLY 262 N 1.40 1.80 3.89 -0.13 0.00 0.10 -4.93 105.19 107.32 1n63 n GLY 262 Ca 0.10 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1n63 n GLY 262 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n63 s PRO 263 N -1.56 3.23 0.41 1.61 0.04 -1.26 -2.05 135.00 135.42 1n63 s PRO 263 Ca 0.00 0.43 0.11 0.00 0.04 0.00 0.00 61.00 61.58 1n63 s PRO 263 Cb 0.00 -2.14 0.94 0.00 0.04 0.00 0.00 34.50 33.33 1n63 s PRO 263 CO 0.00 -0.68 1.98 0.00 0.04 0.00 0.00 177.00 178.33 1n63 h ALA 264 N -0.31 1.91 -0.17 8.56 0.00 -1.83 -1.50 119.26 125.92 1n63 h ALA 264 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1n63 h ALA 264 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1n63 h ALA 264 CO 0.62 -0.03 -0.34 1.05 0.00 0.00 0.00 179.25 180.55 1n63 h GLU 265 N 0.52 0.35 -0.01 0.00 9.09 -1.93 -0.94 114.58 121.65 1n63 h GLU 265 Ca 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 1n63 h GLU 265 Cb 0.43 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1n63 h GLU 265 CO -0.09 0.65 0.00 -0.92 0.05 0.00 0.00 179.01 178.71 1n63 h TYR 266 N 0.30 0.03 -0.76 2.06 3.20 -1.67 -2.50 116.97 117.63 1n63 h TYR 266 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1n63 h TYR 266 Cb 0.75 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 1n63 h TYR 266 CO 0.02 0.32 0.37 0.00 -1.64 0.00 0.00 178.16 177.23 1n63 h ARG 267 N -0.28 1.08 -0.24 1.82 3.08 -0.89 0.11 114.38 119.06 1n63 h ARG 267 Ca 0.00 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.94 1n63 h ARG 267 Cb 0.31 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1n63 h ARG 267 CO 0.00 0.83 0.04 1.15 -1.07 0.00 0.00 179.97 180.92 1n63 h THR 268 N 1.08 0.88 -0.47 2.04 2.02 -1.15 -0.14 112.91 117.17 1n63 h THR 268 Ca 0.26 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1n63 h THR 268 Cb 0.10 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1n63 h THR 268 CO -0.03 0.02 0.06 0.11 0.37 0.00 0.00 175.52 176.05 1n63 h LYS 269 N 0.13 0.75 -0.07 6.66 1.79 -0.95 -2.55 116.57 122.33 1n63 h LYS 269 Ca 0.11 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 1n63 h LYS 269 Cb 0.11 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1n63 h LYS 269 CO -0.15 0.72 -0.36 0.52 -1.08 0.00 0.00 179.45 179.10 1n63 h MET 270 N 0.71 0.15 -0.89 3.15 2.86 -0.37 -0.94 114.93 119.60 1n63 h MET 270 Ca 0.15 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1n63 h MET 270 Cb 0.35 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1n63 h MET 270 CO 0.01 0.49 0.55 0.00 1.06 0.00 0.00 176.91 179.02 1n63 h ALA 271 N 1.51 1.23 -0.44 6.32 0.00 -0.61 0.12 119.26 127.38 1n63 h ALA 271 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1n63 h ALA 271 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1n63 h ALA 271 CO 0.05 0.30 -0.29 0.78 0.00 0.00 0.00 179.25 180.09 1n63 h GLY 272 N 1.00 1.06 0.95 0.00 0.00 -1.17 -1.14 103.07 103.77 1n63 h GLY 272 Ca 0.39 -1.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1n63 h GLY 272 CO -0.18 0.91 -0.16 -2.08 0.00 0.00 0.00 176.54 175.03 1n63 h VAL 273 N 0.82 1.29 -0.61 4.60 2.07 -0.81 -1.09 116.25 122.52 1n63 h VAL 273 Ca 0.09 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1n63 h VAL 273 Cb 0.87 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1n63 h VAL 273 CO 0.08 0.41 0.33 0.24 0.02 0.00 0.00 177.57 178.66 1n63 h MET 274 N 0.47 0.61 -0.24 1.57 2.86 -0.77 -1.09 114.93 118.34 1n63 h MET 274 Ca 0.07 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1n63 h MET 274 Cb 0.69 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1n63 h MET 274 CO 0.05 0.41 0.02 1.25 1.06 0.00 0.00 176.91 179.69 1n63 h LEU 275 N 0.63 -0.06 -0.18 1.22 5.85 -1.00 0.57 115.31 122.34 1n63 h LEU 275 Ca 0.27 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1n63 h LEU 275 Cb 0.15 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1n63 h LEU 275 CO -0.16 0.00 -0.11 0.03 -0.34 0.00 0.00 178.44 177.86 1n63 h ARG 276 N 0.10 -0.09 -0.41 1.25 3.08 -0.86 0.10 114.38 117.55 1n63 h ARG 276 Ca 0.11 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 1n63 h ARG 276 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1n63 h ARG 276 CO -0.17 -0.06 -0.19 0.00 -1.07 0.00 0.00 179.97 178.47 1n63 h ARG 277 N -0.10 0.79 -0.41 0.04 3.08 -1.05 -1.33 114.38 115.39 1n63 h ARG 277 Ca 0.11 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1n63 h ARG 277 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1n63 h ARG 277 CO -0.25 0.91 -0.07 0.00 -1.07 0.00 0.00 179.97 179.50 1n63 h ALA 278 N 1.09 0.56 -0.48 0.04 0.00 -0.45 -1.98 119.26 118.04 1n63 h ALA 278 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1n63 h ALA 278 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n63 h ALA 278 CO 0.05 0.41 0.17 0.28 0.00 0.00 0.00 179.25 180.16 1n63 h VAL 279 N 0.59 1.22 -0.77 0.00 2.07 -0.58 -0.00 116.25 118.78 1n63 h VAL 279 Ca 0.11 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1n63 h VAL 279 Cb 0.59 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1n63 h VAL 279 CO 0.03 0.26 0.47 -0.33 0.02 0.00 0.00 177.57 178.03 1n63 h GLU 280 N 0.64 0.86 -0.32 1.57 5.08 -1.11 0.11 114.58 121.41 1n63 h GLU 280 Ca 0.16 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1n63 h GLU 280 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1n63 h GLU 280 CO -0.01 0.57 -0.43 0.00 -1.00 0.00 0.00 179.01 178.14 1n63 h ARG 281 N 0.89 0.81 -0.70 2.33 3.08 -1.10 -2.32 114.38 117.37 1n63 h ARG 281 Ca 0.33 -0.44 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1n63 h ARG 281 Cb 0.11 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1n63 h ARG 281 CO -0.15 1.08 0.18 0.00 -1.07 0.00 0.00 179.97 180.01 1n63 h ALA 282 N 0.86 0.92 -0.20 0.04 0.00 -0.79 -1.83 119.26 118.26 1n63 h ALA 282 Ca 0.05 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1n63 h ALA 282 Cb 1.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1n63 h ALA 282 CO 0.10 0.64 -0.01 -0.22 0.00 0.00 0.00 179.25 179.75 1n63 h LYS 283 N 1.05 0.05 -0.81 0.00 3.64 -0.64 -0.57 116.57 119.29 1n63 h LYS 283 Ca 0.22 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1n63 h LYS 283 Cb 0.36 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1n63 h LYS 283 CO 0.00 0.03 0.52 0.00 -2.27 0.00 0.00 179.45 177.73 1n63 h ALA 284 N 1.18 1.07 -0.13 5.00 0.00 -1.23 -2.34 119.26 122.81 1n63 h ALA 284 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1n63 h ALA 284 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n63 h ALA 284 CO -0.17 0.33 -0.28 0.00 0.00 0.00 0.00 179.25 179.13 1n63 h ARG 285 N 1.00 0.24 0.00 0.00 3.08 -0.86 -3.51 114.38 114.32 1n63 h ARG 285 Ca 0.33 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1n63 h ARG 285 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1n63 h ARG 285 CO -0.12 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.29