#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xc4 n GLU 2 N 0.00 0.00 -0.29 2.12 0.00 -1.26 0.09 120.64 121.30 1xc4 n GLU 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1xc4 n GLU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1xc4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xc4 h ARG 3 N 0.00 -0.10 -0.37 5.31 3.08 -1.99 0.12 114.38 120.44 1xc4 h ARG 3 Ca 0.00 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1xc4 h ARG 3 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1xc4 h ARG 3 CO 0.00 -0.06 0.15 1.88 -1.07 0.00 0.00 179.97 180.86 1xc4 h TYR 4 N -0.10 0.27 0.00 3.04 0.05 -0.69 -0.90 116.97 118.64 1xc4 h TYR 4 Ca 0.26 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1xc4 h TYR 4 Cb 0.56 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1xc4 h TYR 4 CO -0.78 0.12 0.00 -1.91 -1.05 0.00 0.00 178.16 174.54 1xc4 n GLU 5 N -4.99 0.00 -0.28 4.88 2.13 0.24 -1.12 120.64 121.50 1xc4 n GLU 5 Ca 0.01 0.57 0.09 0.00 0.66 0.00 0.00 57.16 58.50 1xc4 n GLU 5 Cb 0.12 -1.36 0.22 0.00 0.27 0.00 0.00 31.44 30.69 1xc4 n GLU 5 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1xc4 h SER 6 N 0.00 -0.25 -0.40 4.31 0.02 -1.06 0.32 113.55 116.49 1xc4 h SER 6 Ca 0.00 0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1xc4 h SER 6 Cb 0.00 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1xc4 h SER 6 CO 0.00 -0.20 0.09 0.25 -1.14 0.00 0.00 176.83 175.84 1xc4 h LEU 7 N 0.13 0.04 -1.66 5.07 5.85 -0.99 0.03 115.31 123.78 1xc4 h LEU 7 Ca 0.49 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.23 1xc4 h LEU 7 Cb 0.93 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1xc4 h LEU 7 CO -0.70 0.06 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.00 1xc4 h PHE 8 N 0.23 0.00 0.11 1.25 0.04 0.11 -2.21 116.94 116.47 1xc4 h PHE 8 Ca 0.19 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1xc4 h PHE 8 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1xc4 h PHE 8 CO -0.19 0.20 -0.05 0.00 -0.60 0.00 0.00 178.31 177.66 1xc4 h ALA 9 N 1.80 -0.15 0.00 2.45 0.00 0.62 -2.40 119.26 121.58 1xc4 h ALA 9 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xc4 h ALA 9 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xc4 h ALA 9 CO 0.03 -0.39 0.00 1.04 0.00 0.00 0.00 179.25 179.93 1xc4 n GLN 10 N -4.98 0.63 -0.04 0.00 6.02 -0.44 -1.93 117.38 116.64 1xc4 n GLN 10 Ca -0.09 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 1xc4 n GLN 10 Cb 0.23 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 1xc4 n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xc4 n LEU 11 N -1.02 1.19 0.32 1.08 4.77 -0.85 -3.69 117.00 118.81 1xc4 n LEU 11 Ca 0.15 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1xc4 n LEU 11 Cb 0.08 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1xc4 n LEU 11 CO 0.12 0.55 0.38 0.50 -1.33 0.00 0.00 177.39 177.60 1xc4 h LYS 12 N 0.01 -0.80 -1.21 3.23 1.63 -0.88 -0.49 116.57 118.05 1xc4 h LYS 12 Ca -0.39 0.05 0.35 0.00 -0.85 0.00 0.00 60.65 59.81 1xc4 h LYS 12 Cb 2.06 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 33.78 1xc4 h LYS 12 CO 0.06 -0.54 0.81 1.49 -3.45 0.00 0.00 179.45 177.82 1xc4 h GLU 13 N -1.08 0.18 -0.00 1.90 4.81 -1.71 1.64 114.58 120.31 1xc4 h GLU 13 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xc4 h GLU 13 Cb 0.64 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1xc4 h GLU 13 CO 0.14 0.12 -0.15 0.54 -0.73 0.00 0.00 179.01 178.93 1xc4 n ARG 14 N -4.50 0.55 -3.35 1.92 1.74 -1.16 -4.93 116.66 106.93 1xc4 n ARG 14 Ca 0.30 -0.20 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 1xc4 n ARG 14 Cb 1.19 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 31.19 1xc4 n ARG 14 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xc4 n LYS 15 N -1.05 -6.46 -3.91 5.56 4.76 0.56 -4.64 118.16 112.99 1xc4 n LYS 15 Ca 0.13 0.85 -0.11 0.00 -2.87 0.00 0.00 58.31 56.31 1xc4 n LYS 15 Cb 0.29 -5.81 -0.11 0.00 -1.84 0.00 0.00 35.03 27.56 1xc4 n LYS 15 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1xc4 s GLU 16 N -6.06 0.29 0.75 1.97 -1.05 -0.25 -3.08 118.70 111.28 1xc4 s GLU 16 Ca 0.46 -0.33 -0.06 0.00 -0.15 0.00 0.00 54.97 54.89 1xc4 s GLU 16 Cb -0.21 0.12 0.11 0.00 -0.44 0.00 0.00 34.13 33.71 1xc4 s GLU 16 CO 0.57 -0.06 1.06 0.20 0.95 0.00 0.00 175.26 177.98 1xc4 s GLY 17 N -0.98 1.75 0.05 -3.83 0.00 -0.32 -4.38 107.32 99.60 1xc4 s GLY 17 Ca -0.11 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.31 1xc4 s GLY 17 CO 0.00 -0.77 0.19 0.00 0.00 0.00 0.00 173.10 172.53 1xc4 s ALA 18 N -3.31 3.95 -0.22 3.20 0.00 -0.32 -4.81 121.76 120.25 1xc4 s ALA 18 Ca 0.65 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1xc4 s ALA 18 Cb -0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1xc4 s ALA 18 CO 0.46 0.81 -0.03 0.12 0.00 0.00 0.00 175.76 177.12 1xc4 s PHE 19 N -1.46 2.97 -0.49 0.00 5.36 -1.26 -0.36 117.98 122.75 1xc4 s PHE 19 Ca 0.33 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.49 1xc4 s PHE 19 Cb -0.13 -2.12 0.13 0.00 -0.34 0.00 0.00 43.02 40.56 1xc4 s PHE 19 CO 0.25 -0.51 0.23 0.08 -1.46 0.00 0.00 175.22 173.81 1xc4 s VAL 20 N 1.47 2.47 0.80 3.12 1.01 0.22 -2.51 120.40 126.97 1xc4 s VAL 20 Ca 0.06 -3.13 -0.11 0.00 0.00 0.00 0.00 61.98 58.80 1xc4 s VAL 20 Cb -0.14 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1xc4 s VAL 20 CO -0.02 -0.77 1.11 -2.16 0.00 0.00 0.00 175.10 173.26 1xc4 s PRO 21 N -0.07 1.98 -0.04 2.72 0.04 -1.26 -3.14 135.00 135.23 1xc4 s PRO 21 Ca 0.16 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1xc4 s PRO 21 Cb -0.25 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1xc4 s PRO 21 CO -0.01 -1.87 -0.22 0.12 0.04 0.00 0.00 177.00 175.05 1xc4 s PHE 22 N -2.78 2.15 0.04 0.56 2.19 0.21 -2.21 117.98 118.14 1xc4 s PHE 22 Ca 0.63 -0.57 -0.05 0.00 0.33 0.00 0.00 56.93 57.27 1xc4 s PHE 22 Cb -0.19 -1.41 -0.01 0.00 -1.31 0.00 0.00 43.02 40.10 1xc4 s PHE 22 CO 0.55 -0.16 0.08 0.54 1.83 0.00 0.00 175.22 178.07 1xc4 s VAL 23 N -0.21 0.14 -0.31 3.12 0.11 -1.04 -4.48 120.40 117.73 1xc4 s VAL 23 Ca -0.00 -1.17 -0.10 0.00 -2.93 0.00 0.00 61.98 57.78 1xc4 s VAL 23 Cb -0.12 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1xc4 s VAL 23 CO 0.02 -0.64 0.17 -0.89 -3.33 0.00 0.00 175.10 170.43 1xc4 s THR 24 N -2.79 4.81 0.06 5.04 2.01 -1.26 0.14 115.64 123.65 1xc4 s THR 24 Ca -0.03 -0.31 -0.38 0.00 0.31 0.00 0.00 61.69 61.28 1xc4 s THR 24 Cb -0.00 -3.43 -0.18 0.00 0.01 0.00 0.00 72.50 68.90 1xc4 s THR 24 CO -0.05 0.08 1.23 0.18 -0.69 0.00 0.00 174.62 175.36 1xc4 n LEU 25 N 5.02 1.03 -0.10 4.42 4.77 -0.48 -1.15 117.00 130.51 1xc4 n LEU 25 Ca -0.14 1.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.96 1xc4 n LEU 25 Cb 0.50 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1xc4 n LEU 25 CO 0.34 -1.38 -0.01 0.61 -1.33 0.00 0.00 177.39 175.62 1xc4 n GLY 26 N 2.14 0.50 3.29 -0.72 0.00 -1.26 -4.72 105.19 104.41 1xc4 n GLY 26 Ca 0.19 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1xc4 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xc4 s ASP 27 N -2.81 4.33 0.26 1.61 -1.08 -0.30 -2.12 116.67 116.56 1xc4 s ASP 27 Ca 0.00 -0.50 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 1xc4 s ASP 27 Cb 0.00 -1.73 0.61 0.00 -1.46 0.00 0.00 42.92 40.34 1xc4 s ASP 27 CO 0.00 -0.05 1.66 1.55 0.52 0.00 0.00 175.17 178.85 1xc4 h PRO 28 N 8.10 0.00 -4.20 4.34 0.13 -1.92 -3.38 132.00 135.07 1xc4 h PRO 28 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1xc4 h PRO 28 Cb 1.15 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1xc4 h PRO 28 CO 0.60 0.00 -0.44 0.20 -0.23 0.00 0.00 178.00 178.13 1xc4 s GLY 29 N -3.78 0.97 -0.01 1.56 0.00 -0.90 -5.00 107.32 100.16 1xc4 s GLY 29 Ca 0.09 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.24 1xc4 s GLY 29 CO 0.64 -1.10 1.29 -2.22 0.00 0.00 0.00 173.10 171.70 1xc4 h ILE 30 N 2.55 1.30 -0.45 0.90 2.04 -1.94 0.64 117.51 122.54 1xc4 h ILE 30 Ca -0.33 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1xc4 h ILE 30 Cb 1.24 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 1xc4 h ILE 30 CO 0.49 0.26 0.18 -0.08 0.00 0.00 0.00 178.15 179.00 1xc4 h GLU 31 N -0.48 0.68 -0.08 2.37 4.81 -1.97 -2.20 114.58 117.71 1xc4 h GLU 31 Ca -0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1xc4 h GLU 31 Cb 0.45 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xc4 h GLU 31 CO 0.01 0.62 0.02 0.37 -0.73 0.00 0.00 179.01 179.30 1xc4 h GLN 32 N 0.59 0.13 -0.31 1.92 5.75 -1.95 -1.63 115.11 119.61 1xc4 h GLN 32 Ca 0.15 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1xc4 h GLN 32 Cb 0.20 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 1xc4 h GLN 32 CO -0.01 0.33 -0.47 1.03 -2.65 0.00 0.00 178.83 177.06 1xc4 h SER 33 N -0.10 -1.52 -0.49 -0.69 0.87 0.42 0.56 113.55 112.61 1xc4 h SER 33 Ca 0.02 0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1xc4 h SER 33 Cb 0.26 0.64 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 1xc4 h SER 33 CO 0.00 -0.40 0.14 -0.07 -0.53 0.00 0.00 176.83 175.96 1xc4 h LEU 34 N -0.41 0.09 -2.22 2.23 3.38 -1.37 0.85 115.31 117.86 1xc4 h LEU 34 Ca 0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xc4 h LEU 34 Cb 0.61 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xc4 h LEU 34 CO -0.52 0.08 0.12 0.50 0.09 0.00 0.00 178.44 178.70 1xc4 h LYS 35 N 0.29 0.00 0.00 1.13 1.63 0.32 -2.06 116.57 117.88 1xc4 h LYS 35 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1xc4 h LYS 35 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1xc4 h LYS 35 CO -0.28 0.00 -0.15 0.82 -3.45 0.00 0.00 179.45 176.39 1xc4 h ILE 36 N 0.00 0.00 -0.76 2.00 2.04 0.57 -3.31 117.51 118.04 1xc4 h ILE 36 Ca 0.00 -0.72 0.16 0.00 1.00 0.00 0.00 64.86 65.29 1xc4 h ILE 36 Cb 0.23 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.17 1xc4 h ILE 36 CO 0.00 0.00 -0.14 0.40 0.00 0.00 0.00 178.15 178.41 1xc4 h ILE 37 N -0.72 0.25 -0.45 -0.67 5.03 -0.43 0.12 117.51 120.65 1xc4 h ILE 37 Ca 0.00 -0.01 0.07 0.00 -0.12 0.00 0.00 64.86 64.80 1xc4 h ILE 37 Cb 0.15 0.23 -0.06 0.00 -3.03 0.00 0.00 36.82 34.12 1xc4 h ILE 37 CO 0.00 0.00 0.13 0.44 -0.68 0.00 0.00 178.15 178.04 1xc4 h ASP 38 N 0.02 0.09 -0.85 1.72 3.32 -1.59 -0.98 116.42 118.15 1xc4 h ASP 38 Ca 0.38 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.50 1xc4 h ASP 38 Cb 0.61 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1xc4 h ASP 38 CO -0.76 0.08 0.56 0.74 -1.72 0.00 0.00 179.24 178.14 1xc4 h THR 39 N 0.28 1.22 -0.41 0.35 2.02 -0.93 -0.24 112.91 115.21 1xc4 h THR 39 Ca 0.22 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xc4 h THR 39 Cb 0.24 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1xc4 h THR 39 CO -0.25 0.22 0.26 -0.07 0.37 0.00 0.00 175.52 176.05 1xc4 h LEU 40 N 1.16 0.45 0.33 2.58 3.38 -0.39 -2.71 115.31 120.11 1xc4 h LEU 40 Ca 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1xc4 h LEU 40 Cb -0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1xc4 h LEU 40 CO -0.07 0.33 -0.23 0.40 0.09 0.00 0.00 178.44 178.97 1xc4 h ILE 41 N 0.54 0.00 0.00 1.22 2.04 -0.59 -2.34 117.51 118.38 1xc4 h ILE 41 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1xc4 h ILE 41 Cb -0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1xc4 h ILE 41 CO -0.04 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.49 1xc4 n GLU 42 N -3.71 0.12 -0.00 2.37 4.71 -0.16 -1.22 120.64 122.75 1xc4 n GLU 42 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.13 1xc4 n GLU 42 Cb 0.23 -1.01 -0.06 0.00 -1.01 0.00 0.00 31.44 29.59 1xc4 n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xc4 n ALA 43 N -0.30 2.63 0.00 0.62 0.00 -0.90 -4.99 120.51 117.57 1xc4 n ALA 43 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xc4 n ALA 43 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1xc4 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 44 N 1.66 0.62 3.59 0.00 0.00 -0.35 -3.04 105.19 107.66 1xc4 n GLY 44 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 1xc4 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 n ALA 45 N 0.00 -1.07 -0.04 4.61 0.00 -1.07 -4.79 120.51 118.14 1xc4 n ALA 45 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 53.44 53.99 1xc4 n ALA 45 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 1xc4 n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xc4 n ASP 46 N 2.51 0.38 -3.64 0.00 8.00 -1.04 -4.79 116.55 117.97 1xc4 n ASP 46 Ca 0.19 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1xc4 n ASP 46 Cb 0.19 1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 42.81 1xc4 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xc4 s ALA 47 N -3.08 -1.84 0.22 2.24 0.00 -1.25 -4.15 121.76 113.89 1xc4 s ALA 47 Ca -0.08 2.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.97 1xc4 s ALA 47 Cb 0.10 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 1xc4 s ALA 47 CO 0.82 -0.36 0.58 -0.51 0.00 0.00 0.00 175.76 176.29 1xc4 s LEU 48 N 0.96 4.21 -0.51 0.00 1.43 -0.51 -4.07 118.68 120.20 1xc4 s LEU 48 Ca -0.05 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1xc4 s LEU 48 Cb -0.05 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.70 1xc4 s LEU 48 CO -0.09 -0.03 0.29 -0.70 0.23 0.00 0.00 176.35 176.04 1xc4 s GLU 49 N -2.55 1.71 -0.30 1.70 2.56 -0.94 -2.34 118.70 118.55 1xc4 s GLU 49 Ca 0.45 -2.45 -0.23 0.00 0.00 0.00 0.00 54.97 52.74 1xc4 s GLU 49 Cb -0.12 -2.84 -0.00 0.00 2.00 0.00 0.00 34.13 33.16 1xc4 s GLU 49 CO 0.20 -1.17 0.77 -0.51 -0.56 0.00 0.00 175.26 174.00 1xc4 s LEU 50 N -0.17 4.09 0.33 2.70 1.43 -0.06 -2.50 118.68 124.49 1xc4 s LEU 50 Ca 0.19 0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 53.74 1xc4 s LEU 50 Cb -0.21 -3.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 1xc4 s LEU 50 CO -0.03 -0.58 0.89 -0.83 0.23 0.00 0.00 176.35 176.03 1xc4 s GLY 51 N 1.59 2.65 -0.20 -3.19 0.00 0.37 -1.46 107.32 107.08 1xc4 s GLY 51 Ca 0.32 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1xc4 s GLY 51 CO 0.12 0.78 -0.13 -0.42 0.00 0.00 0.00 173.10 173.45 1xc4 s ILE 52 N -1.74 2.65 0.55 0.90 1.01 -1.06 -1.38 121.20 122.13 1xc4 s ILE 52 Ca 0.51 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1xc4 s ILE 52 Cb -0.16 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 1xc4 s ILE 52 CO 0.21 0.49 1.08 -2.16 0.00 0.00 0.00 174.94 174.55 1xc4 s PRO 53 N 1.36 3.45 1.12 2.79 0.04 -1.26 -4.82 135.00 137.67 1xc4 s PRO 53 Ca 0.05 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1xc4 s PRO 53 Cb -0.14 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1xc4 s PRO 53 CO -0.08 -0.73 0.00 0.34 0.04 0.00 0.00 177.00 176.57 1xc4 n PHE 54 N -1.48 0.00 -2.28 0.56 7.35 -1.26 -4.94 117.46 115.41 1xc4 n PHE 54 Ca 0.10 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1xc4 n PHE 54 Cb 0.52 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.35 1xc4 n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1xc4 n VAL 76 N 0.00 -2.01 -1.73 -2.13 0.31 -1.26 -4.81 118.33 106.70 1xc4 n VAL 76 Ca 0.00 0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 64.45 1xc4 n VAL 76 Cb 0.00 -2.35 0.08 0.00 -0.91 0.00 0.00 33.84 30.67 1xc4 n VAL 76 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1xc4 s THR 77 N -0.08 2.86 0.06 2.52 -4.23 -1.26 -4.91 115.64 110.60 1xc4 s THR 77 Ca -0.01 0.28 -0.25 0.00 -1.18 0.00 0.00 61.69 60.53 1xc4 s THR 77 Cb 0.00 -3.16 -0.16 0.00 1.34 0.00 0.00 72.50 70.52 1xc4 s THR 77 CO 0.03 -0.37 1.62 -0.65 -0.54 0.00 0.00 174.62 174.71 1xc4 h PRO 78 N -0.99 -0.14 -1.16 3.99 0.11 -1.99 -2.42 132.00 129.41 1xc4 h PRO 78 Ca -0.47 0.01 0.34 0.00 0.11 0.00 0.00 66.00 65.99 1xc4 h PRO 78 Cb 1.28 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 1xc4 h PRO 78 CO 0.62 -0.00 0.92 0.00 -0.21 0.00 0.00 178.00 179.33 1xc4 h ALA 79 N 0.64 3.05 0.04 -0.75 0.00 -1.98 0.47 119.26 120.74 1xc4 h ALA 79 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xc4 h ALA 79 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xc4 h ALA 79 CO 0.02 -1.52 -0.45 1.96 0.00 0.00 0.00 179.25 179.26 1xc4 h GLN 80 N 0.00 0.09 -0.98 0.00 4.20 -1.86 -1.86 115.11 114.71 1xc4 h GLN 80 Ca 0.55 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 59.17 1xc4 h GLN 80 Cb 2.39 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 30.16 1xc4 h GLN 80 CO -0.01 1.08 0.63 0.00 -0.67 0.00 0.00 178.83 179.86 1xc4 h PHE 82 N 1.13 0.00 -0.16 0.00 0.04 -0.49 -1.41 116.94 116.05 1xc4 h PHE 82 Ca 0.43 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.06 1xc4 h PHE 82 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1xc4 h PHE 82 CO -0.00 0.62 -0.48 1.49 -0.60 0.00 0.00 178.31 179.34 1xc4 h GLU 83 N 0.00 0.41 -0.13 1.51 4.81 0.21 -1.36 114.58 120.03 1xc4 h GLU 83 Ca -0.01 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.85 1xc4 h GLU 83 Cb 1.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xc4 h GLU 83 CO 0.08 0.81 -0.46 0.52 -0.73 0.00 0.00 179.01 179.23 1xc4 h MET 84 N 0.33 0.54 -0.86 1.92 2.86 0.11 -2.24 114.93 117.60 1xc4 h MET 84 Ca 0.02 -0.41 0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1xc4 h MET 84 Cb 0.96 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 1xc4 h MET 84 CO 0.08 1.03 0.53 -0.07 1.06 0.00 0.00 176.91 179.55 1xc4 h LEU 85 N 0.17 0.84 -0.52 1.22 3.38 -1.13 0.42 115.31 119.69 1xc4 h LEU 85 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xc4 h LEU 85 Cb 1.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1xc4 h LEU 85 CO 0.10 0.54 0.29 0.00 0.09 0.00 0.00 178.44 179.45 1xc4 h ALA 86 N 1.40 0.66 0.32 1.53 0.00 -1.19 -0.73 119.26 121.25 1xc4 h ALA 86 Ca 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1xc4 h ALA 86 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xc4 h ALA 86 CO -0.17 0.18 -0.15 -0.07 0.00 0.00 0.00 179.25 179.04 1xc4 h LEU 87 N 0.69 -0.36 0.01 0.00 3.38 -0.55 -1.30 115.31 117.18 1xc4 h LEU 87 Ca 0.18 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1xc4 h LEU 87 Cb 0.04 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1xc4 h LEU 87 CO -0.03 -0.18 -0.50 0.40 0.09 0.00 0.00 178.44 178.22 1xc4 h ILE 88 N -0.52 0.04 -0.55 1.22 2.04 -0.08 0.16 117.51 119.83 1xc4 h ILE 88 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1xc4 h ILE 88 Cb 0.39 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 1xc4 h ILE 88 CO 0.07 0.00 -0.49 -0.09 0.00 0.00 0.00 178.15 177.64 1xc4 h ARG 89 N -0.65 -0.26 -1.00 2.37 9.65 -1.09 1.52 114.38 124.92 1xc4 h ARG 89 Ca 0.02 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 1xc4 h ARG 89 Cb 0.71 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.26 1xc4 h ARG 89 CO -0.34 -0.17 0.63 1.49 2.80 0.00 0.00 179.97 184.37 1xc4 h GLU 90 N -0.27 0.89 -0.02 0.20 4.57 -0.59 0.05 114.58 119.41 1xc4 h GLU 90 Ca 0.14 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 1xc4 h GLU 90 Cb 0.56 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1xc4 h GLU 90 CO -0.68 0.59 -0.74 -0.22 -1.18 0.00 0.00 179.01 176.79 1xc4 h LYS 91 N 0.92 0.14 -2.56 1.92 3.64 0.24 -3.39 116.57 117.48 1xc4 h LYS 91 Ca 0.52 -0.13 -0.60 0.00 -1.27 0.00 0.00 60.65 59.18 1xc4 h LYS 91 Cb 0.63 0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 32.09 1xc4 h LYS 91 CO -0.30 0.81 -0.88 -1.01 -2.27 0.00 0.00 179.45 175.81 1xc4 s HIS 92 N -3.44 1.49 0.27 1.91 3.76 0.49 -5.04 115.29 114.72 1xc4 s HIS 92 Ca -0.02 -2.39 -0.01 0.00 -0.15 0.00 0.00 55.06 52.49 1xc4 s HIS 92 Cb 0.11 -1.27 0.54 0.00 1.11 0.00 0.00 32.58 33.07 1xc4 s HIS 92 CO 0.80 -0.78 1.77 -1.00 -0.85 0.00 0.00 174.74 174.68 1xc4 h PRO 93 N 5.90 0.64 0.00 8.40 0.13 -1.47 -3.26 132.00 142.34 1xc4 h PRO 93 Ca 0.19 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xc4 h PRO 93 Cb 0.90 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1xc4 h PRO 93 CO 0.42 0.43 -1.47 0.25 -0.23 0.00 0.00 178.00 177.39 1xc4 n THR 94 N -4.84 0.06 -1.66 1.56 -2.24 -1.26 -4.95 114.28 100.94 1xc4 n THR 94 Ca 0.17 -0.30 -0.47 0.00 -2.27 0.00 0.00 64.05 61.18 1xc4 n THR 94 Cb 0.43 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1xc4 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xc4 n ILE 95 N -1.99 0.60 -1.66 2.28 0.13 -1.23 -4.87 119.36 112.62 1xc4 n ILE 95 Ca -0.00 -0.14 -0.43 0.00 -1.10 0.00 0.00 62.75 61.08 1xc4 n ILE 95 Cb 0.47 -2.01 -0.03 0.00 -0.84 0.00 0.00 39.64 37.24 1xc4 n ILE 95 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1xc4 s PRO 96 N 4.40 3.38 -0.37 9.51 0.02 -1.26 -4.87 135.00 145.80 1xc4 s PRO 96 Ca 0.93 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 63.94 1xc4 s PRO 96 Cb -0.62 -4.31 0.01 0.00 0.02 0.00 0.00 34.50 29.60 1xc4 s PRO 96 CO 0.49 -1.82 0.23 0.42 -0.33 0.00 0.00 177.00 175.99 1xc4 s ILE 97 N 7.32 4.88 -0.01 2.83 1.01 -1.26 -1.42 121.20 134.54 1xc4 s ILE 97 Ca 0.96 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.03 1xc4 s ILE 97 Cb -0.34 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1xc4 s ILE 97 CO 0.36 -0.19 -0.25 -0.83 0.00 0.00 0.00 174.94 174.03 1xc4 s GLY 98 N 1.62 1.25 0.27 6.18 0.00 -0.99 0.13 107.32 115.78 1xc4 s GLY 98 Ca 0.04 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.72 1xc4 s GLY 98 CO 0.08 -0.93 0.31 1.08 0.00 0.00 0.00 173.10 173.64 1xc4 s LEU 99 N -0.67 4.00 -0.16 0.66 1.43 -0.41 -0.88 118.68 122.64 1xc4 s LEU 99 Ca 0.10 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1xc4 s LEU 99 Cb -0.10 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1xc4 s LEU 99 CO -0.01 -0.14 0.07 -0.22 0.23 0.00 0.00 176.35 176.28 1xc4 s LEU 100 N -3.96 0.47 0.35 1.79 1.98 -0.53 -2.07 118.68 116.71 1xc4 s LEU 100 Ca 0.36 -0.56 -0.11 0.00 -2.89 0.00 0.00 54.13 50.93 1xc4 s LEU 100 Cb -0.08 -0.30 0.03 0.00 0.66 0.00 0.00 46.19 46.50 1xc4 s LEU 100 CO 0.27 -0.33 0.65 0.00 -1.89 0.00 0.00 176.35 175.06 1xc4 s MET 101 N 2.09 2.04 0.50 1.98 0.23 -0.91 -2.55 119.30 122.69 1xc4 s MET 101 Ca 0.02 -1.50 0.01 0.00 -1.03 0.00 0.00 55.69 53.19 1xc4 s MET 101 Cb -0.16 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.71 1xc4 s MET 101 CO -0.08 -0.91 0.72 0.71 -2.03 0.00 0.00 175.02 173.43 1xc4 s TYR 102 N -2.82 3.01 0.17 3.16 2.02 -1.26 -1.31 117.35 120.31 1xc4 s TYR 102 Ca 0.21 0.07 0.35 0.00 -0.37 0.00 0.00 57.07 57.33 1xc4 s TYR 102 Cb -0.03 -2.56 1.59 0.00 -0.40 0.00 0.00 41.96 40.56 1xc4 s TYR 102 CO 0.14 -0.64 2.04 0.00 -1.57 0.00 0.00 175.55 175.52 1xc4 h ALA 103 N 0.23 1.00 0.67 3.71 0.00 -1.93 -3.35 119.26 119.58 1xc4 h ALA 103 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xc4 h ALA 103 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xc4 h ALA 103 CO 0.54 0.00 -0.46 -0.91 0.00 0.00 0.00 179.25 178.42 1xc4 h ASN 104 N 0.00 -1.18 -0.70 0.00 4.21 -1.95 0.63 115.58 116.58 1xc4 h ASN 104 Ca 0.00 0.07 0.15 0.00 1.21 0.00 0.00 56.30 57.73 1xc4 h ASN 104 Cb 0.35 0.36 -0.11 0.00 -1.12 0.00 0.00 38.32 37.80 1xc4 h ASN 104 CO 0.00 -0.68 0.13 0.25 -1.29 0.00 0.00 177.43 175.84 1xc4 h LEU 105 N -1.08 -0.06 0.19 1.61 7.12 -1.88 0.89 115.31 122.11 1xc4 h LEU 105 Ca -0.09 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1xc4 h LEU 105 Cb 0.88 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1xc4 h LEU 105 CO 0.06 -0.05 -0.09 0.58 -0.13 0.00 0.00 178.44 178.80 1xc4 h VAL 106 N 0.23 0.89 -0.05 1.05 2.07 -1.70 -1.63 116.25 117.10 1xc4 h VAL 106 Ca 0.39 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1xc4 h VAL 106 Cb 0.65 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xc4 h VAL 106 CO -0.51 0.08 0.09 -0.26 0.02 0.00 0.00 177.57 176.99 1xc4 h PHE 107 N -0.43 0.00 0.11 1.57 0.05 0.19 -2.59 116.94 115.84 1xc4 h PHE 107 Ca -0.03 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 1xc4 h PHE 107 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.28 1xc4 h PHE 107 CO -0.01 0.00 -0.05 -0.97 -0.18 0.00 0.00 178.31 177.09 1xc4 h ASN 108 N 0.00 -0.13 -0.25 2.17 -1.24 0.17 -3.30 115.58 113.01 1xc4 h ASN 108 Ca 0.02 -0.42 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1xc4 h ASN 108 Cb 0.19 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1xc4 h ASN 108 CO -0.00 0.41 0.00 0.29 -1.29 0.00 0.00 177.43 176.84 1xc4 n LYS 109 N -4.91 2.44 -1.40 6.67 5.02 -0.83 -4.98 118.16 120.18 1xc4 n LYS 109 Ca -0.08 -1.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1xc4 n LYS 109 Cb 0.27 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1xc4 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xc4 n GLY 110 N 0.38 -4.47 0.15 0.72 0.00 -1.02 -3.87 105.19 97.07 1xc4 n GLY 110 Ca 0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1xc4 n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xc4 n ILE 111 N 0.94 -0.24 0.02 -0.61 -0.00 -1.22 -1.81 119.36 116.44 1xc4 n ILE 111 Ca 0.00 1.32 -0.13 0.00 -0.00 0.00 0.00 62.75 63.94 1xc4 n ILE 111 Cb 0.00 -1.68 -0.06 0.00 -0.00 0.00 0.00 39.64 37.90 1xc4 n ILE 111 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1xc4 h ASP 112 N 0.00 -1.30 -0.45 4.38 1.82 -1.91 -1.58 116.42 117.38 1xc4 h ASP 112 Ca 0.06 0.17 0.13 0.00 -0.39 0.00 0.00 57.03 56.99 1xc4 h ASP 112 Cb 0.14 0.52 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 1xc4 h ASP 112 CO -0.32 -0.44 0.35 -0.08 -1.61 0.00 0.00 179.24 177.14 1xc4 h GLU 113 N -0.52 0.00 0.28 0.28 4.81 -1.51 0.30 114.58 118.22 1xc4 h GLU 113 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1xc4 h GLU 113 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1xc4 h GLU 113 CO -0.37 0.00 -0.13 0.35 -0.73 0.00 0.00 179.01 178.13 1xc4 h PHE 114 N 0.00 -0.35 -1.01 0.92 3.57 -0.59 -0.56 116.94 118.93 1xc4 h PHE 114 Ca 0.22 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.88 1xc4 h PHE 114 Cb 0.91 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.67 1xc4 h PHE 114 CO 0.00 -0.22 0.62 1.88 -2.23 0.00 0.00 178.31 178.36 1xc4 h TYR 115 N -0.44 1.09 -0.39 0.41 0.05 -1.23 0.44 116.97 116.89 1xc4 h TYR 115 Ca -0.04 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1xc4 h TYR 115 Cb 0.29 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1xc4 h TYR 115 CO 0.12 0.29 0.15 0.00 -1.05 0.00 0.00 178.16 177.67 1xc4 h ALA 116 N 1.62 1.53 0.00 3.88 0.00 -0.91 0.38 119.26 125.76 1xc4 h ALA 116 Ca 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1xc4 h ALA 116 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xc4 h ALA 116 CO -0.35 0.36 0.00 -0.09 0.00 0.00 0.00 179.25 179.17 1xc4 h ARG 117 N 0.55 0.00 0.13 0.00 1.12 0.15 -2.64 114.38 113.69 1xc4 h ARG 117 Ca 0.14 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.69 1xc4 h ARG 117 Cb 0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 1xc4 h ARG 117 CO -0.01 0.00 -1.61 0.00 -3.11 0.00 0.00 179.97 175.23 1xc4 h GLU 119 N 0.07 0.00 0.00 0.00 4.81 -0.26 -2.73 114.58 116.47 1xc4 h GLU 119 Ca -0.28 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1xc4 h GLU 119 Cb 2.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 1xc4 h GLU 119 CO 0.16 0.09 -1.05 0.87 -0.73 0.00 0.00 179.01 178.35 1xc4 h LYS 120 N 0.00 0.00 -0.00 1.92 1.57 -1.52 -3.36 116.57 115.18 1xc4 h LYS 120 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xc4 h LYS 120 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xc4 h LYS 120 CO 0.01 0.14 -0.90 1.33 -0.57 0.00 0.00 179.45 179.46 1xc4 n VAL 121 N -2.82 0.00 0.00 0.50 0.24 -1.11 -5.01 118.33 110.14 1xc4 n VAL 121 Ca -0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1xc4 n VAL 121 Cb 0.67 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1xc4 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xc4 n GLY 122 N 1.50 0.75 3.23 7.63 0.00 -1.05 -3.63 105.19 113.62 1xc4 n GLY 122 Ca 0.04 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1xc4 n GLY 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xc4 n VAL 123 N 0.00 0.73 -0.03 1.61 0.31 -1.14 -4.79 118.33 115.03 1xc4 n VAL 123 Ca 0.00 -0.49 0.01 0.00 -0.01 0.00 0.00 64.34 63.85 1xc4 n VAL 123 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1xc4 n VAL 123 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xc4 n ASP 124 N 2.26 2.03 -3.70 4.52 8.00 0.35 -4.66 116.55 125.36 1xc4 n ASP 124 Ca 0.11 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 1xc4 n ASP 124 Cb 0.38 1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 42.67 1xc4 n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xc4 s SER 125 N -3.93 -0.15 -0.18 -2.24 1.04 -1.16 0.19 113.70 107.27 1xc4 s SER 125 Ca -0.05 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1xc4 s SER 125 Cb 0.06 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.72 1xc4 s SER 125 CO 0.52 -0.84 0.28 -0.69 0.98 0.00 0.00 173.24 173.49 1xc4 s VAL 126 N -3.83 -0.44 -0.35 5.02 1.01 -1.02 -1.29 120.40 119.51 1xc4 s VAL 126 Ca 0.04 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1xc4 s VAL 126 Cb 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1xc4 s VAL 126 CO -0.11 -0.03 0.29 -0.22 0.00 0.00 0.00 175.10 175.03 1xc4 s LEU 127 N 2.43 4.54 -1.03 3.92 0.20 -0.88 -3.68 118.68 124.18 1xc4 s LEU 127 Ca 0.05 -0.40 -0.11 0.00 0.69 0.00 0.00 54.13 54.37 1xc4 s LEU 127 Cb -0.14 -2.21 0.26 0.00 -0.43 0.00 0.00 46.19 43.67 1xc4 s LEU 127 CO -0.11 -0.29 1.01 -0.69 -0.29 0.00 0.00 176.35 175.99 1xc4 s VAL 128 N 1.82 5.87 0.00 1.68 1.01 -1.26 -2.13 120.40 127.39 1xc4 s VAL 128 Ca 0.08 -3.11 0.00 0.00 0.00 0.00 0.00 61.98 58.94 1xc4 s VAL 128 Cb -0.17 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1xc4 s VAL 128 CO 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 175.10 174.06 1xc4 n ALA 129 N 3.16 0.00 -0.31 5.51 0.00 -0.43 -1.53 120.51 126.92 1xc4 n ALA 129 Ca 0.21 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.90 1xc4 n ALA 129 Cb 0.42 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.25 1xc4 n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xc4 n ASP 130 N 0.00 0.00 -4.63 0.00 5.68 -1.26 -4.34 116.55 112.00 1xc4 n ASP 130 Ca 0.00 0.51 -0.43 0.00 -0.50 0.00 0.00 54.79 54.37 1xc4 n ASP 130 Cb 0.00 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 39.72 1xc4 n ASP 130 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1xc4 s VAL 131 N -3.81 3.55 0.79 2.12 1.01 -0.58 -4.97 120.40 118.50 1xc4 s VAL 131 Ca -0.02 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1xc4 s VAL 131 Cb 0.13 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1xc4 s VAL 131 CO 0.42 -0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.18 1xc4 s PRO 132 N 4.93 2.17 0.26 2.72 0.04 -1.26 -4.88 135.00 138.98 1xc4 s PRO 132 Ca 0.77 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 1xc4 s PRO 132 Cb -0.27 -1.91 0.38 0.00 0.04 0.00 0.00 34.50 32.75 1xc4 s PRO 132 CO 0.31 -1.62 1.87 0.28 0.04 0.00 0.00 177.00 177.88 1xc4 h VAL 133 N -1.10 1.06 0.00 -0.36 2.07 -1.93 -2.52 116.25 113.46 1xc4 h VAL 133 Ca -0.46 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xc4 h VAL 133 Cb 1.25 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1xc4 h VAL 133 CO 0.56 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.72 1xc4 n GLU 134 N -4.56 0.21 -0.30 1.57 4.71 -1.26 -3.04 120.64 117.97 1xc4 n GLU 134 Ca 0.14 0.29 0.07 0.00 -0.01 0.00 0.00 57.16 57.65 1xc4 n GLU 134 Cb 0.19 -1.81 0.21 0.00 -1.01 0.00 0.00 31.44 29.02 1xc4 n GLU 134 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xc4 n GLU 135 N -2.19 2.97 0.18 3.49 -0.58 -0.97 -4.54 120.64 119.01 1xc4 n GLU 135 Ca 0.04 -2.36 0.06 0.00 -0.42 0.00 0.00 57.16 54.48 1xc4 n GLU 135 Cb 0.34 -1.49 0.25 0.00 -0.57 0.00 0.00 31.44 29.96 1xc4 n GLU 135 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xc4 h SER 136 N 2.25 0.00 -0.02 1.62 4.64 -1.43 -3.41 113.55 117.20 1xc4 h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xc4 h SER 136 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1xc4 h SER 136 CO 0.08 0.37 -0.01 0.00 -0.87 0.00 0.00 176.83 176.39 1xc4 n ALA 137 N -2.24 -0.01 0.21 5.18 0.00 -1.26 0.13 120.51 122.51 1xc4 n ALA 137 Ca 0.01 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1xc4 n ALA 137 Cb 0.57 0.01 0.76 0.00 0.00 0.00 0.00 19.45 20.79 1xc4 n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xc4 h PRO 138 N 0.00 0.00 0.06 0.00 0.13 -1.98 -1.53 132.00 128.67 1xc4 h PRO 138 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 1xc4 h PRO 138 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1xc4 h PRO 138 CO -0.02 0.00 -0.51 0.74 -0.23 0.00 0.00 178.00 177.98 1xc4 h PHE 139 N 0.00 0.22 -0.80 1.56 -1.00 0.73 -1.72 116.94 115.93 1xc4 h PHE 139 Ca 0.07 -0.16 0.17 0.00 2.81 0.00 0.00 57.97 60.86 1xc4 h PHE 139 Cb 0.32 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 1xc4 h PHE 139 CO 0.00 1.20 0.53 -0.09 -1.61 0.00 0.00 178.31 178.34 1xc4 h ARG 140 N -0.73 0.40 0.03 1.51 2.43 -0.98 0.14 114.38 117.18 1xc4 h ARG 140 Ca -0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xc4 h ARG 140 Cb 1.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1xc4 h ARG 140 CO 0.03 0.27 -0.01 1.96 -1.51 0.00 0.00 179.97 180.71 1xc4 h GLN 141 N 0.41 -0.04 -0.78 0.20 4.20 -1.34 -2.93 115.11 114.83 1xc4 h GLN 141 Ca 0.40 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.26 1xc4 h GLN 141 Cb 0.95 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.64 1xc4 h GLN 141 CO -0.14 0.63 0.34 0.00 -0.67 0.00 0.00 178.83 178.99 1xc4 h ALA 142 N -0.17 1.13 -0.50 3.87 0.00 -0.52 0.48 119.26 123.54 1xc4 h ALA 142 Ca -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xc4 h ALA 142 Cb 0.69 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1xc4 h ALA 142 CO 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 179.25 178.90 1xc4 h ALA 143 N 1.56 0.74 -0.15 0.00 0.00 -0.86 -1.82 119.26 118.72 1xc4 h ALA 143 Ca 0.43 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xc4 h ALA 143 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xc4 h ALA 143 CO -0.40 0.67 -0.40 -0.07 0.00 0.00 0.00 179.25 179.05 1xc4 h LEU 144 N 0.87 0.35 -0.64 0.00 3.38 -0.89 0.58 115.31 118.97 1xc4 h LEU 144 Ca 0.12 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xc4 h LEU 144 Cb 0.74 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1xc4 h LEU 144 CO 0.06 0.72 -0.26 0.03 0.09 0.00 0.00 178.44 179.07 1xc4 h ARG 145 N 0.28 0.78 -0.92 1.13 3.08 0.12 -3.21 114.38 115.65 1xc4 h ARG 145 Ca 0.03 -0.34 -0.63 0.00 0.07 0.00 0.00 59.98 59.11 1xc4 h ARG 145 Cb 0.83 -0.02 -0.35 0.00 0.08 0.00 0.00 29.97 30.50 1xc4 h ARG 145 CO 0.07 0.96 0.15 0.72 -1.07 0.00 0.00 179.97 180.79 1xc4 n HIS 146 N -4.09 3.03 -3.97 3.04 8.25 -0.71 -4.97 115.22 115.80 1xc4 n HIS 146 Ca -0.00 -2.68 -0.37 0.00 -0.26 0.00 0.00 57.72 54.40 1xc4 n HIS 146 Cb 0.46 -0.97 0.01 0.00 1.12 0.00 0.00 29.99 30.61 1xc4 n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xc4 n ASN 147 N -0.82 -3.41 -4.13 0.41 3.02 -0.81 -4.42 115.26 105.09 1xc4 n ASN 147 Ca 0.55 -1.04 -0.18 0.00 -0.03 0.00 0.00 54.58 53.87 1xc4 n ASN 147 Cb 0.78 -1.29 -0.13 0.00 -0.61 0.00 0.00 39.78 38.54 1xc4 n ASN 147 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xc4 s VAL 148 N -3.67 0.98 -0.20 2.41 1.01 0.20 -4.87 120.40 116.25 1xc4 s VAL 148 Ca 0.36 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1xc4 s VAL 148 Cb -0.20 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1xc4 s VAL 148 CO 0.79 -0.14 0.65 0.00 0.00 0.00 0.00 175.10 176.40 1xc4 s ALA 149 N -1.06 3.55 -0.31 5.51 0.00 0.13 -3.81 121.76 125.76 1xc4 s ALA 149 Ca -0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1xc4 s ALA 149 Cb -0.09 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1xc4 s ALA 149 CO 0.01 -0.60 1.41 -2.14 0.00 0.00 0.00 175.76 174.45 1xc4 s PRO 150 N 2.01 3.79 -0.06 0.00 0.02 -1.26 -2.44 135.00 137.05 1xc4 s PRO 150 Ca 0.29 1.27 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 1xc4 s PRO 150 Cb -0.16 -3.96 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 1xc4 s PRO 150 CO 0.10 -1.29 0.10 0.42 -0.33 0.00 0.00 177.00 176.00 1xc4 s ILE 151 N 4.89 5.00 0.25 2.83 -1.09 -1.24 -2.70 121.20 129.13 1xc4 s ILE 151 Ca 0.62 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1xc4 s ILE 151 Cb -0.18 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1xc4 s ILE 151 CO 0.27 0.50 -0.04 -0.36 -1.23 0.00 0.00 174.94 174.08 1xc4 s PHE 152 N -1.08 1.72 -0.15 3.97 0.08 -1.26 -4.48 117.98 116.78 1xc4 s PHE 152 Ca 0.18 -0.80 -0.03 0.00 0.12 0.00 0.00 56.93 56.40 1xc4 s PHE 152 Cb -0.12 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1xc4 s PHE 152 CO 0.08 0.12 -0.05 0.42 -0.10 0.00 0.00 175.22 175.70 1xc4 s ILE 153 N -3.22 3.80 -0.41 0.64 1.01 -1.26 -2.55 121.20 119.21 1xc4 s ILE 153 Ca 0.28 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1xc4 s ILE 153 Cb 0.04 -2.66 0.09 0.00 0.01 0.00 0.00 42.46 39.94 1xc4 s ILE 153 CO 0.09 0.50 0.22 0.00 0.00 0.00 0.00 174.94 175.75 1xc4 s PRO 155 N 1.33 2.60 0.64 0.00 0.04 -1.26 -0.64 135.00 137.72 1xc4 s PRO 155 Ca 0.04 1.69 0.33 0.00 0.04 0.00 0.00 61.00 63.09 1xc4 s PRO 155 Cb -0.23 -1.90 1.79 0.00 0.04 0.00 0.00 34.50 34.20 1xc4 s PRO 155 CO -0.00 -1.46 2.05 -1.00 0.04 0.00 0.00 177.00 176.63 1xc4 h PRO 156 N 0.22 0.00 -0.66 0.56 0.13 -1.78 -2.03 132.00 128.44 1xc4 h PRO 156 Ca -0.48 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.21 1xc4 h PRO 156 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1xc4 h PRO 156 CO 0.53 0.00 -0.10 0.27 -0.23 0.00 0.00 178.00 178.47 1xc4 n ASN 157 N -3.23 4.56 -4.71 1.44 6.94 -1.26 -1.88 115.26 117.13 1xc4 n ASN 157 Ca -0.00 -3.78 -0.42 0.00 -0.02 0.00 0.00 54.58 50.36 1xc4 n ASN 157 Cb 0.33 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1xc4 n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xc4 s ALA 158 N -3.51 3.40 0.64 -2.53 0.00 -0.76 -4.77 121.76 114.22 1xc4 s ALA 158 Ca 0.52 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 1xc4 s ALA 158 Cb 0.43 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1xc4 s ALA 158 CO 0.01 -0.49 1.05 0.16 0.00 0.00 0.00 175.76 176.49 1xc4 s ASP 159 N 1.15 5.76 0.41 0.00 3.84 -1.26 -4.78 116.67 121.79 1xc4 s ASP 159 Ca 0.58 1.63 0.23 0.00 -0.00 0.00 0.00 52.55 55.00 1xc4 s ASP 159 Cb -0.28 -2.50 1.25 0.00 -1.38 0.00 0.00 42.92 40.00 1xc4 s ASP 159 CO 0.28 -1.18 1.69 -0.78 -0.00 0.00 0.00 175.17 175.17 1xc4 h ASP 160 N -0.16 0.36 0.47 2.11 3.58 -2.00 -0.97 116.42 119.81 1xc4 h ASP 160 Ca -0.45 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1xc4 h ASP 160 Cb 1.21 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1xc4 h ASP 160 CO 0.58 -0.07 -0.25 0.44 -2.88 0.00 0.00 179.24 177.06 1xc4 h ASP 161 N 0.24 -0.62 -0.79 2.28 3.32 -2.00 -2.37 116.42 116.48 1xc4 h ASP 161 Ca 0.72 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.98 1xc4 h ASP 161 Cb 2.01 0.17 -0.12 0.00 0.22 0.00 0.00 39.33 41.61 1xc4 h ASP 161 CO -0.40 -0.41 0.17 0.25 -1.72 0.00 0.00 179.24 177.13 1xc4 h LEU 162 N -0.66 -0.04 -0.34 1.55 5.85 -1.57 0.07 115.31 120.16 1xc4 h LEU 162 Ca -0.06 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1xc4 h LEU 162 Cb 0.52 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 1xc4 h LEU 162 CO 0.09 -0.10 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.87 1xc4 h LEU 163 N 0.23 -0.51 -0.84 2.25 3.38 -1.20 -0.75 115.31 117.86 1xc4 h LEU 163 Ca 0.46 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.59 1xc4 h LEU 163 Cb 0.85 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1xc4 h LEU 163 CO -0.58 -0.18 0.54 0.03 0.09 0.00 0.00 178.44 178.33 1xc4 h ARG 164 N -0.09 1.01 0.05 1.13 3.08 -0.48 -0.22 114.38 118.86 1xc4 h ARG 164 Ca 0.17 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1xc4 h ARG 164 Cb 0.35 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xc4 h ARG 164 CO -0.40 0.67 -0.04 1.96 -1.07 0.00 0.00 179.97 181.09 1xc4 h GLN 165 N 1.04 -0.09 -0.75 0.04 4.20 -0.29 -2.83 115.11 116.45 1xc4 h GLN 165 Ca 0.34 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.17 1xc4 h GLN 165 Cb 0.02 0.02 -0.13 0.00 0.30 0.00 0.00 27.48 27.69 1xc4 h GLN 165 CO -0.12 -0.06 -0.38 0.82 -0.67 0.00 0.00 178.83 178.42 1xc4 h ILE 166 N -0.09 0.09 -0.62 2.54 2.04 -1.09 -1.50 117.51 118.89 1xc4 h ILE 166 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1xc4 h ILE 166 Cb 0.07 0.09 -0.12 0.00 -0.74 0.00 0.00 36.82 36.12 1xc4 h ILE 166 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.89 1xc4 h ALA 167 N 1.05 0.16 -0.12 1.87 0.00 -1.03 -0.74 119.26 120.46 1xc4 h ALA 167 Ca 0.26 0.20 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1xc4 h ALA 167 Cb 0.56 0.66 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1xc4 h ALA 167 CO -0.80 -0.57 -0.55 0.66 0.00 0.00 0.00 179.25 177.99 1xc4 h SER 168 N -0.10 0.69 0.34 0.00 4.64 -1.11 -3.32 113.55 114.67 1xc4 h SER 168 Ca 0.27 -0.63 -0.08 0.00 -0.47 0.00 0.00 61.79 60.87 1xc4 h SER 168 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1xc4 h SER 168 CO -0.68 1.21 -0.37 1.88 -0.87 0.00 0.00 176.83 177.99 1xc4 h TYR 169 N 0.21 0.06 -3.04 4.77 0.05 -0.93 -3.45 116.97 114.65 1xc4 h TYR 169 Ca -0.03 -0.01 -0.61 0.00 0.05 0.00 0.00 58.73 58.13 1xc4 h TYR 169 Cb 1.19 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.86 1xc4 h TYR 169 CO 0.11 0.42 -0.21 0.20 -1.05 0.00 0.00 178.16 177.63 1xc4 s GLY 170 N -4.28 2.44 0.39 3.88 0.00 -0.31 -4.79 107.32 104.65 1xc4 s GLY 170 Ca -0.03 -0.26 0.08 0.00 0.00 0.00 0.00 44.72 44.51 1xc4 s GLY 170 CO 0.74 0.07 0.06 0.50 0.00 0.00 0.00 173.10 174.46 1xc4 s ARG 171 N -1.29 2.05 3.20 2.90 1.81 -1.10 -4.40 118.95 122.13 1xc4 s ARG 171 Ca 0.26 -1.95 0.00 0.00 -1.72 0.00 0.00 55.73 52.32 1xc4 s ARG 171 Cb -0.16 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 1xc4 s ARG 171 CO 0.14 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.15 1xc4 n GLY 172 N -1.04 1.83 3.54 -3.53 0.00 -1.26 -4.46 105.19 100.26 1xc4 n GLY 172 Ca -0.04 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1xc4 n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xc4 s TYR 173 N 0.00 1.81 -0.07 1.61 -0.85 -1.26 -4.01 117.35 114.58 1xc4 s TYR 173 Ca 0.00 -1.22 0.01 0.00 -0.52 0.00 0.00 57.07 55.34 1xc4 s TYR 173 Cb 0.00 -1.22 0.02 0.00 0.38 0.00 0.00 41.96 41.14 1xc4 s TYR 173 CO 0.00 -0.22 -0.08 0.99 -1.52 0.00 0.00 175.55 174.72 1xc4 s THR 174 N -3.18 0.89 -0.64 -3.49 2.01 0.13 -4.71 115.64 106.65 1xc4 s THR 174 Ca 0.23 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 1xc4 s THR 174 Cb 0.03 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.71 1xc4 s THR 174 CO 0.13 0.32 1.03 -0.47 -0.69 0.00 0.00 174.62 174.94 1xc4 s TYR 175 N 1.14 2.63 -0.35 4.92 6.14 -1.06 0.91 117.35 131.68 1xc4 s TYR 175 Ca -0.06 -0.26 -0.22 0.00 0.64 0.00 0.00 57.07 57.16 1xc4 s TYR 175 Cb -0.14 -4.30 0.01 0.00 0.42 0.00 0.00 41.96 37.94 1xc4 s TYR 175 CO -0.01 -1.64 0.72 -1.17 0.64 0.00 0.00 175.55 174.09 1xc4 s LEU 176 N 4.38 4.17 0.00 6.97 2.96 -0.89 -0.87 118.68 135.41 1xc4 s LEU 176 Ca 0.28 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 54.19 1xc4 s LEU 176 Cb -0.14 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1xc4 s LEU 176 CO 0.14 -0.66 1.07 -0.22 -1.32 0.00 0.00 176.35 175.36 1xc4 s LEU 177 N 2.92 4.35 0.66 -0.68 2.96 0.19 -2.19 118.68 126.89 1xc4 s LEU 177 Ca 0.29 1.77 -0.13 0.00 -0.22 0.00 0.00 54.13 55.84 1xc4 s LEU 177 Cb -0.14 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1xc4 s LEU 177 CO 0.15 -0.37 1.07 -0.94 -1.32 0.00 0.00 176.35 174.94 1xc4 s SER 178 N 1.07 5.40 0.00 3.68 1.04 -1.17 -2.84 113.70 120.88 1xc4 s SER 178 Ca 0.54 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.73 1xc4 s SER 178 Cb -0.24 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1xc4 s SER 178 CO 0.27 -1.43 0.24 -2.11 0.98 0.00 0.00 173.24 171.19 1xc4 n ARG 179 N -2.67 0.40 0.00 4.02 -4.01 -1.26 -1.02 116.66 112.11 1xc4 n ARG 179 Ca 0.08 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.93 1xc4 n ARG 179 Cb 0.53 -1.15 -0.03 0.00 -3.04 0.00 0.00 32.46 28.77 1xc4 n ARG 179 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1xc4 n ALA 180 N 0.12 2.96 -0.87 2.89 0.00 -1.26 -5.01 120.51 119.34 1xc4 n ALA 180 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1xc4 n ALA 180 Cb 0.08 -0.30 0.04 0.00 0.00 0.00 0.00 19.45 19.27 1xc4 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 181 N 1.07 1.85 3.77 0.00 0.00 -0.19 -5.02 105.19 106.67 1xc4 n GLY 181 Ca 0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1xc4 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 189 N -1.15 3.39 -0.31 4.61 0.00 -1.26 -4.90 121.76 122.15 1xc4 s ALA 189 Ca 0.09 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1xc4 s ALA 189 Cb 0.08 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1xc4 s ALA 189 CO 0.01 -0.82 1.10 0.00 0.00 0.00 0.00 175.76 176.05 1xc4 s ALA 190 N -1.19 3.51 0.40 0.00 0.00 -1.26 -4.12 121.76 119.09 1xc4 s ALA 190 Ca 0.54 -0.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 1xc4 s ALA 190 Cb -0.40 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 18.94 1xc4 s ALA 190 CO 0.53 -1.47 0.96 -0.51 0.00 0.00 0.00 175.76 175.27 1xc4 s LEU 191 N 3.67 4.07 0.24 0.00 1.43 -0.79 -4.95 118.68 122.36 1xc4 s LEU 191 Ca 0.46 1.78 -0.31 0.00 -1.03 0.00 0.00 54.13 55.03 1xc4 s LEU 191 Cb -0.13 -4.35 -0.14 0.00 0.03 0.00 0.00 46.19 41.60 1xc4 s LEU 191 CO 0.15 -0.31 1.34 -0.81 0.23 0.00 0.00 176.35 176.96 1xc4 n PRO 192 N -0.24 1.89 0.00 1.29 -0.04 -1.26 -4.76 135.00 131.88 1xc4 n PRO 192 Ca 0.05 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1xc4 n PRO 192 Cb 0.52 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1xc4 n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xc4 n LEU 193 N 1.97 0.00 -0.09 1.53 4.77 -1.26 -1.65 117.00 122.27 1xc4 n LEU 193 Ca 0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1xc4 n LEU 193 Cb 0.31 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1xc4 n LEU 193 CO 0.62 0.00 -1.12 0.59 -1.33 0.00 0.00 177.39 176.15 1xc4 n ASN 194 N -0.47 2.01 -0.19 -1.43 5.03 -1.26 -3.85 115.26 115.10 1xc4 n ASN 194 Ca 0.00 0.11 -0.00 0.00 0.87 0.00 0.00 54.58 55.56 1xc4 n ASN 194 Cb 0.00 -0.68 0.10 0.00 -1.02 0.00 0.00 39.78 38.18 1xc4 n ASN 194 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1xc4 h HIS 195 N -0.26 0.24 0.67 3.10 2.76 -1.66 -2.19 115.15 117.81 1xc4 h HIS 195 Ca -0.53 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.65 1xc4 h HIS 195 Cb 1.82 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.75 1xc4 h HIS 195 CO 0.03 0.01 -0.49 -0.07 -1.30 0.00 0.00 177.93 176.11 1xc4 h LEU 196 N 0.29 -1.27 -0.93 0.26 -0.00 -1.75 0.31 115.31 112.22 1xc4 h LEU 196 Ca 0.30 0.08 0.22 0.00 -0.00 0.00 0.00 57.88 58.48 1xc4 h LEU 196 Cb 0.41 0.39 -0.12 0.00 -0.00 0.00 0.00 40.66 41.34 1xc4 h LEU 196 CO -0.36 -0.71 0.48 0.58 -0.00 0.00 0.00 178.44 178.43 1xc4 h VAL 197 N -1.11 0.54 0.39 1.22 2.07 -1.62 0.41 116.25 118.16 1xc4 h VAL 197 Ca -0.09 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1xc4 h VAL 197 Cb 0.92 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1xc4 h VAL 197 CO 0.04 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.53 1xc4 h ALA 198 N 1.69 -0.53 0.00 1.67 0.00 -0.98 -0.39 119.26 120.73 1xc4 h ALA 198 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1xc4 h ALA 198 Cb 1.04 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xc4 h ALA 198 CO -0.48 -0.65 0.24 0.87 0.00 0.00 0.00 179.25 179.23 1xc4 h LYS 199 N -0.81 0.00 0.01 0.00 1.79 0.13 0.33 116.57 118.02 1xc4 h LYS 199 Ca -0.05 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.14 1xc4 h LYS 199 Cb 0.54 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1xc4 h LYS 199 CO 0.09 0.00 -1.51 1.28 -1.08 0.00 0.00 179.45 178.23 1xc4 n LEU 200 N -2.18 1.97 -0.32 2.94 4.77 -0.04 -3.03 117.00 121.12 1xc4 n LEU 200 Ca -0.01 0.38 0.24 0.00 -0.03 0.00 0.00 56.01 56.59 1xc4 n LEU 200 Cb 0.27 -0.97 0.54 0.00 -2.33 0.00 0.00 43.42 40.93 1xc4 n LEU 200 CO 0.07 0.38 1.23 0.11 -1.33 0.00 0.00 177.39 177.86 1xc4 h LYS 201 N -0.87 0.33 0.35 3.23 1.57 0.12 -0.55 116.57 120.76 1xc4 h LYS 201 Ca -0.40 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1xc4 h LYS 201 Cb 1.43 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1xc4 h LYS 201 CO -0.20 0.22 -0.17 1.49 -0.57 0.00 0.00 179.45 180.21 1xc4 h GLU 202 N 0.34 -0.46 -1.24 3.15 4.81 -0.81 -3.26 114.58 117.11 1xc4 h GLU 202 Ca 0.58 0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.61 1xc4 h GLU 202 Cb 1.59 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.95 1xc4 h GLU 202 CO -0.25 -0.14 0.30 0.66 -0.73 0.00 0.00 179.01 178.85 1xc4 n TYR 203 N -5.14 1.26 -4.33 0.92 4.01 -0.31 -4.88 117.16 108.69 1xc4 n TYR 203 Ca -0.09 -1.35 -0.38 0.00 -0.16 0.00 0.00 57.90 55.92 1xc4 n TYR 203 Cb 0.28 -0.67 -0.08 0.00 -0.31 0.00 0.00 39.34 38.55 1xc4 n TYR 203 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xc4 n ASN 204 N 0.11 -1.11 -4.83 7.72 4.13 -0.60 -4.62 115.26 116.06 1xc4 n ASN 204 Ca 0.25 -1.18 -0.33 0.00 1.68 0.00 0.00 54.58 55.00 1xc4 n ASN 204 Cb 0.81 -1.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.50 1xc4 n ASN 204 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xc4 s ALA 205 N -3.39 3.06 0.65 5.41 0.00 -0.98 -4.88 121.76 121.63 1xc4 s ALA 205 Ca 0.60 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1xc4 s ALA 205 Cb -0.35 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1xc4 s ALA 205 CO 0.96 -0.01 0.72 0.00 0.00 0.00 0.00 175.76 177.43 1xc4 n ALA 206 N -1.01 -0.74 -1.64 0.00 0.00 -1.26 -4.79 120.51 111.06 1xc4 n ALA 206 Ca 0.07 -0.11 -0.49 0.00 0.00 0.00 0.00 53.44 52.90 1xc4 n ALA 206 Cb 0.54 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 1xc4 n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xc4 n PRO 207 N -0.83 1.69 -2.84 0.00 -0.02 -1.26 -4.05 135.00 127.71 1xc4 n PRO 207 Ca 0.12 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1xc4 n PRO 207 Cb 0.49 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1xc4 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xc4 s PRO 208 N 1.25 4.40 -0.31 0.52 0.04 -1.26 0.23 135.00 139.88 1xc4 s PRO 208 Ca 0.84 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 1xc4 s PRO 208 Cb -0.82 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.23 1xc4 s PRO 208 CO 0.45 -0.20 0.07 -0.51 0.04 0.00 0.00 177.00 176.84 1xc4 s LEU 209 N 1.67 3.95 0.03 -3.56 1.43 0.26 -0.41 118.68 122.04 1xc4 s LEU 209 Ca 0.43 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1xc4 s LEU 209 Cb -0.18 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1xc4 s LEU 209 CO 0.18 -0.24 1.02 -1.58 0.23 0.00 0.00 176.35 175.96 1xc4 s GLN 210 N 1.42 4.55 0.25 1.70 0.74 0.18 -2.09 119.66 126.41 1xc4 s GLN 210 Ca 0.00 1.50 0.03 0.00 0.05 0.00 0.00 55.36 56.94 1xc4 s GLN 210 Cb -0.18 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1xc4 s GLN 210 CO 0.01 -0.06 0.03 0.20 -0.55 0.00 0.00 175.29 174.92 1xc4 s GLY 211 N 0.88 1.65 0.00 2.59 0.00 -0.93 -1.67 107.32 109.84 1xc4 s GLY 211 Ca 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1xc4 s GLY 211 CO 0.29 -1.67 0.00 0.33 0.00 0.00 0.00 173.10 172.05 1xc4 n PHE 212 N -0.46 0.00 -1.75 1.90 7.35 -1.26 -3.06 117.46 120.19 1xc4 n PHE 212 Ca -0.04 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.54 1xc4 n PHE 212 Cb 0.65 -0.79 -0.03 0.00 0.35 0.00 0.00 39.48 39.66 1xc4 n PHE 212 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xc4 n GLY 213 N 1.82 0.62 3.05 7.13 0.00 -1.26 -4.72 105.19 111.84 1xc4 n GLY 213 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1xc4 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xc4 s ILE 214 N -2.49 3.24 -0.21 -0.61 1.01 -1.26 -4.87 121.20 116.01 1xc4 s ILE 214 Ca 0.00 -2.90 0.14 0.00 0.00 0.00 0.00 60.65 57.89 1xc4 s ILE 214 Cb 0.00 -3.18 0.45 0.00 0.01 0.00 0.00 42.46 39.75 1xc4 s ILE 214 CO 0.00 -0.81 1.18 -1.54 0.00 0.00 0.00 174.94 173.77 1xc4 n SER 215 N 3.58 2.64 -3.75 3.58 3.41 -1.26 -4.17 113.62 117.65 1xc4 n SER 215 Ca 0.05 -3.20 -0.13 0.00 -0.26 0.00 0.00 58.87 55.33 1xc4 n SER 215 Cb 0.37 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1xc4 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xc4 s ALA 216 N -2.91 -0.88 0.45 7.33 0.00 -1.26 -4.97 121.76 119.52 1xc4 s ALA 216 Ca 0.40 0.73 0.17 0.00 0.00 0.00 0.00 51.96 53.25 1xc4 s ALA 216 Cb 0.38 -0.29 1.11 0.00 0.00 0.00 0.00 23.12 24.32 1xc4 s ALA 216 CO -0.05 -0.22 1.97 -1.35 0.00 0.00 0.00 175.76 176.11 1xc4 h PRO 217 N 4.75 0.32 -0.02 0.00 0.11 -1.90 -1.28 132.00 133.98 1xc4 h PRO 217 Ca -0.28 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1xc4 h PRO 217 Cb 1.18 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1xc4 h PRO 217 CO 0.33 0.21 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.64 1xc4 h ASP 218 N 0.33 -0.78 -0.40 -2.05 5.19 -1.96 0.73 116.42 117.48 1xc4 h ASP 218 Ca 0.30 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.77 1xc4 h ASP 218 Cb 0.72 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1xc4 h ASP 218 CO -0.07 -0.24 0.17 1.56 -3.12 0.00 0.00 179.24 177.54 1xc4 h GLN 219 N -0.30 0.65 -0.34 3.56 4.20 -1.83 -0.56 115.11 120.49 1xc4 h GLN 219 Ca 0.01 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1xc4 h GLN 219 Cb 0.33 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1xc4 h GLN 219 CO -0.18 0.54 -0.14 0.28 -0.67 0.00 0.00 178.83 178.66 1xc4 h VAL 220 N 0.64 1.29 -0.72 -0.54 2.07 -0.92 0.30 116.25 118.37 1xc4 h VAL 220 Ca 0.16 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.48 1xc4 h VAL 220 Cb 0.14 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1xc4 h VAL 220 CO -0.01 0.41 0.43 0.50 0.02 0.00 0.00 177.57 178.91 1xc4 h LYS 221 N 0.48 0.79 -0.08 1.57 3.11 0.11 -2.20 116.57 120.35 1xc4 h LYS 221 Ca 0.08 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.76 1xc4 h LYS 221 Cb 0.67 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1xc4 h LYS 221 CO 0.05 0.53 -0.38 0.00 -2.81 0.00 0.00 179.45 176.83 1xc4 h ALA 222 N 1.34 0.16 -0.61 5.00 0.00 -0.98 -2.74 119.26 121.43 1xc4 h ALA 222 Ca 0.30 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xc4 h ALA 222 Cb 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1xc4 h ALA 222 CO -0.15 0.26 -0.32 0.00 0.00 0.00 0.00 179.25 179.05 1xc4 h ALA 223 N 0.45 0.02 -0.70 0.00 0.00 -0.07 0.14 119.26 119.10 1xc4 h ALA 223 Ca -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xc4 h ALA 223 Cb 1.03 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1xc4 h ALA 223 CO 0.08 -0.64 0.19 0.82 0.00 0.00 0.00 179.25 179.69 1xc4 h ILE 224 N -0.14 1.26 -0.82 0.00 5.03 -1.44 -2.59 117.51 118.81 1xc4 h ILE 224 Ca 0.25 -0.94 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 1xc4 h ILE 224 Cb 0.55 0.52 -0.04 0.00 -3.03 0.00 0.00 36.82 34.81 1xc4 h ILE 224 CO -0.69 0.36 0.52 0.44 -0.68 0.00 0.00 178.15 178.10 1xc4 h ASP 225 N 1.05 0.96 0.14 1.72 3.32 -0.76 0.13 116.42 122.99 1xc4 h ASP 225 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xc4 h ASP 225 Cb 0.34 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xc4 h ASP 225 CO -0.00 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.23 1xc4 n ALA 226 N -2.41 1.28 0.00 3.45 0.00 -0.14 -4.80 120.51 117.90 1xc4 n ALA 226 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xc4 n ALA 226 Cb 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1xc4 n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 227 N -0.96 0.65 3.78 0.00 0.00 0.47 -4.56 105.19 104.58 1xc4 n GLY 227 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1xc4 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 228 N -2.00 2.48 -1.97 4.61 0.00 -1.12 -4.93 121.76 118.84 1xc4 s ALA 228 Ca 0.00 0.43 0.28 0.00 0.00 0.00 0.00 51.96 52.66 1xc4 s ALA 228 Cb 0.00 -3.28 1.02 0.00 0.00 0.00 0.00 23.12 20.86 1xc4 s ALA 228 CO 0.00 -1.30 1.73 0.00 0.00 0.00 0.00 175.76 176.18 1xc4 n ALA 229 N -2.65 2.83 0.00 0.00 0.00 0.45 -4.49 120.51 116.64 1xc4 n ALA 229 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1xc4 n ALA 229 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1xc4 n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xc4 n GLY 230 N 1.26 2.19 3.52 0.00 0.00 -1.23 -1.18 105.19 109.75 1xc4 n GLY 230 Ca 0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1xc4 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xc4 s ALA 231 N -2.00 2.87 -0.03 4.61 0.00 0.51 -0.65 121.76 127.08 1xc4 s ALA 231 Ca 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.18 1xc4 s ALA 231 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1xc4 s ALA 231 CO 0.00 0.28 -0.11 0.42 0.00 0.00 0.00 175.76 176.34 1xc4 s ILE 232 N -2.46 0.96 0.04 0.00 1.01 -0.67 0.69 121.20 120.77 1xc4 s ILE 232 Ca 0.30 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1xc4 s ILE 232 Cb -0.05 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1xc4 s ILE 232 CO 0.16 0.29 -0.07 -0.55 0.00 0.00 0.00 174.94 174.77 1xc4 s SER 233 N 0.05 0.71 0.00 3.58 0.15 -1.19 -4.17 113.70 112.84 1xc4 s SER 233 Ca -0.01 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1xc4 s SER 233 Cb -0.08 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1xc4 s SER 233 CO 0.01 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1xc4 n GLY 234 N 1.58 0.05 0.46 9.45 0.00 -1.26 0.67 105.19 116.14 1xc4 n GLY 234 Ca -0.22 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1xc4 n GLY 234 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xc4 h SER 235 N 0.00 -1.18 -0.67 1.61 0.87 -1.94 -1.55 113.55 110.69 1xc4 h SER 235 Ca 0.00 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 1xc4 h SER 235 Cb 0.00 0.37 -0.10 0.00 -0.44 0.00 0.00 62.40 62.23 1xc4 h SER 235 CO 0.00 -0.63 0.14 0.00 -0.53 0.00 0.00 176.83 175.81 1xc4 h ALA 236 N -0.74 0.82 -0.72 6.23 0.00 -1.93 0.37 119.26 123.30 1xc4 h ALA 236 Ca -0.06 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xc4 h ALA 236 Cb 0.83 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1xc4 h ALA 236 CO -0.00 -0.33 0.48 0.82 0.00 0.00 0.00 179.25 180.21 1xc4 h ILE 237 N 0.25 0.93 0.18 0.00 1.08 -1.82 -1.17 117.51 116.96 1xc4 h ILE 237 Ca 0.37 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1xc4 h ILE 237 Cb 0.59 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1xc4 h ILE 237 CO -0.47 0.11 -0.09 0.58 -0.69 0.00 0.00 178.15 177.59 1xc4 h VAL 238 N 0.62 0.74 -0.67 1.67 2.07 0.65 -2.89 116.25 118.44 1xc4 h VAL 238 Ca 0.33 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.90 1xc4 h VAL 238 Cb 0.47 1.25 -0.12 0.00 -1.52 0.00 0.00 31.29 31.38 1xc4 h VAL 238 CO -0.12 0.20 -0.04 0.11 0.02 0.00 0.00 177.57 177.74 1xc4 h LYS 239 N -0.90 0.08 -0.53 1.57 1.79 -0.44 0.19 116.57 118.32 1xc4 h LYS 239 Ca -0.02 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1xc4 h LYS 239 Cb 0.50 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1xc4 h LYS 239 CO 0.04 0.05 0.35 0.82 -1.08 0.00 0.00 179.45 179.63 1xc4 h ILE 240 N 0.08 1.13 -0.25 1.86 2.04 -1.32 0.08 117.51 121.14 1xc4 h ILE 240 Ca 0.35 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1xc4 h ILE 240 Cb 0.58 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1xc4 h ILE 240 CO -0.61 0.13 0.12 0.40 0.00 0.00 0.00 178.15 178.19 1xc4 h ILE 241 N 0.72 1.09 0.41 -0.67 2.04 -0.88 -2.17 117.51 118.05 1xc4 h ILE 241 Ca 0.20 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xc4 h ILE 241 Cb -0.08 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1xc4 h ILE 241 CO -0.04 0.10 -0.20 -0.08 0.00 0.00 0.00 178.15 177.93 1xc4 h GLU 242 N 0.34 -0.53 0.00 2.37 4.81 0.88 -0.24 114.58 122.21 1xc4 h GLU 242 Ca 0.09 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xc4 h GLU 242 Cb 0.04 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xc4 h GLU 242 CO -0.01 -0.22 0.00 1.96 -0.73 0.00 0.00 179.01 180.01 1xc4 h GLN 243 N -0.93 0.00 0.00 1.92 4.20 -0.87 -2.60 115.11 116.83 1xc4 h GLN 243 Ca -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1xc4 h GLN 243 Cb 0.55 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1xc4 h GLN 243 CO 0.09 0.00 -0.28 0.72 -0.67 0.00 0.00 178.83 178.69 1xc4 n HIS 244 N -2.89 0.00 0.84 2.96 8.25 -0.83 -4.76 115.22 118.78 1xc4 n HIS 244 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 1xc4 n HIS 244 Cb 0.11 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1xc4 n HIS 244 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1xc4 n ILE 245 N -1.11 0.00 0.00 1.59 3.06 -0.11 -1.06 119.36 121.73 1xc4 n ILE 245 Ca 0.15 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 1xc4 n ILE 245 Cb 0.69 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 40.62 1xc4 n ILE 245 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1xc4 n ASN 246 N -0.24 2.61 -3.88 9.51 3.02 -1.26 -4.88 115.26 120.14 1xc4 n ASN 246 Ca 0.00 -0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 1xc4 n ASN 246 Cb 0.04 0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 39.81 1xc4 n ASN 246 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xc4 n GLU 247 N -0.94 2.35 -0.33 3.52 4.71 -0.23 -4.94 120.64 124.78 1xc4 n GLU 247 Ca 0.00 -4.53 0.20 0.00 -0.01 0.00 0.00 57.16 52.82 1xc4 n GLU 247 Cb 0.00 -2.33 0.41 0.00 -1.01 0.00 0.00 31.44 28.51 1xc4 n GLU 247 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1xc4 h PRO 248 N 5.33 0.39 0.15 3.49 0.11 -1.90 1.17 132.00 140.73 1xc4 h PRO 248 Ca 0.17 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.97 1xc4 h PRO 248 Cb 0.74 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.78 1xc4 h PRO 248 CO 0.81 0.26 -1.28 1.49 -0.21 0.00 0.00 178.00 179.07 1xc4 h GLU 249 N 0.40 0.31 -0.20 1.05 4.81 -1.92 -3.25 114.58 115.78 1xc4 h GLU 249 Ca 0.67 -0.53 -0.21 0.00 -0.13 0.00 0.00 59.36 59.16 1xc4 h GLU 249 Cb 1.42 0.20 0.01 0.00 0.63 0.00 0.00 28.75 31.00 1xc4 h GLU 249 CO -0.56 1.26 -0.69 0.87 -0.73 0.00 0.00 179.01 179.15 1xc4 h LYS 250 N 0.09 0.82 -0.98 1.92 1.57 -1.29 -3.20 116.57 115.50 1xc4 h LYS 250 Ca -0.15 -0.61 0.17 0.00 -1.87 0.00 0.00 60.65 58.19 1xc4 h LYS 250 Cb 2.00 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 34.32 1xc4 h LYS 250 CO 0.22 1.23 0.59 1.98 -0.57 0.00 0.00 179.45 182.89 1xc4 h MET 251 N 0.59 0.75 -0.44 3.15 4.05 0.12 -1.58 114.93 121.57 1xc4 h MET 251 Ca -0.03 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.21 1xc4 h MET 251 Cb 1.32 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1xc4 h MET 251 CO 0.15 0.50 -0.26 -0.07 0.23 0.00 0.00 176.91 177.46 1xc4 h LEU 252 N 0.77 0.96 -0.30 3.39 3.38 -1.59 -2.49 115.31 119.44 1xc4 h LEU 252 Ca 0.55 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xc4 h LEU 252 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xc4 h LEU 252 CO -0.37 1.16 0.17 0.00 0.09 0.00 0.00 178.44 179.49 1xc4 h ALA 253 N 0.90 0.38 -0.89 1.53 0.00 -1.32 0.97 119.26 120.83 1xc4 h ALA 253 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xc4 h ALA 253 Cb 0.83 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1xc4 h ALA 253 CO 0.07 -0.10 0.56 0.00 0.00 0.00 0.00 179.25 179.78 1xc4 h ALA 254 N 1.04 1.22 -0.30 0.00 0.00 -1.38 0.80 119.26 120.64 1xc4 h ALA 254 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1xc4 h ALA 254 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xc4 h ALA 254 CO -0.02 0.33 -0.50 -0.07 0.00 0.00 0.00 179.25 178.99 1xc4 h LEU 255 N 1.03 0.92 -1.23 0.00 3.38 -0.92 0.21 115.31 118.70 1xc4 h LEU 255 Ca 0.38 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1xc4 h LEU 255 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xc4 h LEU 255 CO -0.17 1.26 0.11 0.11 0.09 0.00 0.00 178.44 179.84 1xc4 h LYS 256 N 0.66 0.64 0.00 1.13 1.57 0.23 -1.21 116.57 119.58 1xc4 h LYS 256 Ca 0.03 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1xc4 h LYS 256 Cb 1.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1xc4 h LYS 256 CO 0.11 0.58 -0.71 0.28 -0.57 0.00 0.00 179.45 179.15 1xc4 h VAL 257 N 0.63 1.37 -0.09 0.50 2.07 0.87 -3.34 116.25 118.25 1xc4 h VAL 257 Ca 0.14 -2.54 -0.03 0.00 0.82 0.00 0.00 66.70 65.09 1xc4 h VAL 257 Cb 0.23 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xc4 h VAL 257 CO -0.00 0.69 -0.08 0.15 0.02 0.00 0.00 177.57 178.35 1xc4 h PHE 258 N 0.00 0.26 0.00 1.57 3.57 0.61 -3.40 116.94 119.55 1xc4 h PHE 258 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1xc4 h PHE 258 Cb 1.36 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1xc4 h PHE 258 CO 0.00 0.62 0.00 0.28 -2.23 0.00 0.00 178.31 176.98 1xc4 n VAL 259 N -4.69 0.00 0.00 1.41 0.31 -0.89 -3.51 118.33 110.96 1xc4 n VAL 259 Ca -0.07 0.89 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 1xc4 n VAL 259 Cb 0.30 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1xc4 n VAL 259 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xc4 n GLN 260 N -0.42 0.00 0.22 5.55 6.02 -1.17 0.14 117.38 127.72 1xc4 n GLN 260 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1xc4 n GLN 260 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 1xc4 n GLN 260 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1xc4 h PRO 261 N 0.00 -0.64 -0.81 -1.09 0.13 -1.77 0.77 132.00 128.60 1xc4 h PRO 261 Ca 0.00 0.04 0.13 0.00 -0.87 0.00 0.00 66.00 65.30 1xc4 h PRO 261 Cb 0.00 0.14 -0.14 0.00 0.13 0.00 0.00 31.00 31.14 1xc4 h PRO 261 CO 0.00 -0.42 -0.36 0.52 -0.23 0.00 0.00 178.00 177.50 1xc4 h MET 262 N -0.66 -0.07 -0.75 0.86 2.86 0.12 0.62 114.93 117.90 1xc4 h MET 262 Ca -0.05 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1xc4 h MET 262 Cb 0.54 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1xc4 h MET 262 CO 0.02 -0.05 0.50 -0.22 1.06 0.00 0.00 176.91 178.23 1xc4 h LYS 263 N -0.08 0.97 0.00 1.72 1.63 -0.91 -1.18 116.57 118.72 1xc4 h LYS 263 Ca 0.29 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1xc4 h LYS 263 Cb 0.58 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1xc4 h LYS 263 CO -0.85 0.64 -0.22 0.00 -3.45 0.00 0.00 179.45 175.57 1xc4 h ALA 264 N 1.54 1.30 0.00 5.00 0.00 0.60 -2.35 119.26 125.36 1xc4 h ALA 264 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xc4 h ALA 264 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xc4 h ALA 264 CO -0.07 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1xc4 n ALA 265 N -2.35 1.64 -0.89 0.00 0.00 0.22 -2.36 120.51 116.77 1xc4 n ALA 265 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1xc4 n ALA 265 Cb 0.32 -1.15 0.32 0.00 0.00 0.00 0.00 19.45 18.95 1xc4 n ALA 265 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xc4 n THR 266 N -1.24 2.39 -4.32 0.00 -2.24 -0.88 -3.63 114.28 104.36 1xc4 n THR 266 Ca 0.05 -1.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.00 1xc4 n THR 266 Cb 0.07 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 1xc4 n THR 266 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xc4 s ARG 267 N -2.64 2.22 0.00 -0.78 0.52 -1.00 -1.18 118.95 116.09 1xc4 s ARG 267 Ca 0.47 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1xc4 s ARG 267 Cb 0.36 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1xc4 s ARG 267 CO 0.13 0.36 0.00 -1.13 0.02 0.00 0.00 175.30 174.69