#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb4 s LEU 4 N 0.00 1.96 1.11 0.00 1.43 -1.26 -4.62 118.68 117.29 1xb4 s LEU 4 Ca 0.00 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1xb4 s LEU 4 Cb 0.00 0.15 0.25 0.00 0.03 0.00 0.00 46.19 46.62 1xb4 s LEU 4 CO 0.00 -0.12 1.05 -2.84 0.23 0.00 0.00 176.35 174.67 1xb4 s PRO 5 N -0.52 -0.46 0.24 1.29 0.02 -1.26 -4.89 135.00 129.42 1xb4 s PRO 5 Ca -0.06 0.94 0.05 0.00 0.02 0.00 0.00 61.00 61.95 1xb4 s PRO 5 Cb -0.04 -1.60 0.26 0.00 0.02 0.00 0.00 34.50 33.14 1xb4 s PRO 5 CO -0.00 -3.45 1.56 -1.35 -0.33 0.00 0.00 177.00 173.43 1xb4 h PRO 6 N -2.43 0.22 0.00 5.54 0.11 -2.02 -2.48 132.00 130.94 1xb4 h PRO 6 Ca -0.58 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1xb4 h PRO 6 Cb 1.32 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1xb4 h PRO 6 CO 0.49 0.76 0.00 -0.24 -0.21 0.00 0.00 178.00 178.80 1xb4 h VAL 7 N 0.16 0.00 0.00 3.15 3.04 -1.97 -2.35 116.25 118.28 1xb4 h VAL 7 Ca -0.01 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1xb4 h VAL 7 Cb 1.11 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1xb4 h VAL 7 CO 0.09 0.00 -0.01 0.22 -1.01 0.00 0.00 177.57 176.87 1xb4 h TYR 8 N 0.00 0.00 -0.59 3.17 3.20 -1.78 -0.43 116.97 120.53 1xb4 h TYR 8 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xb4 h TYR 8 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1xb4 h TYR 8 CO 0.00 0.01 0.00 0.43 -1.64 0.00 0.00 178.16 176.96 1xb4 n SER 9 N -3.23 3.68 -4.44 -2.11 7.64 -0.88 -4.86 113.62 109.41 1xb4 n SER 9 Ca -0.03 -1.99 -0.44 0.00 1.01 0.00 0.00 58.87 57.43 1xb4 n SER 9 Cb 0.10 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1xb4 n SER 9 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1xb4 s PHE 10 N -1.11 2.94 0.12 1.43 5.36 -0.17 -4.94 117.98 121.61 1xb4 s PHE 10 Ca 0.43 -1.04 -0.13 0.00 -0.96 0.00 0.00 56.93 55.22 1xb4 s PHE 10 Cb 0.23 -4.26 0.08 0.00 -0.34 0.00 0.00 43.02 38.72 1xb4 s PHE 10 CO 0.30 -1.53 0.92 -2.30 -1.46 0.00 0.00 175.22 171.16 1xb4 n PRO 11 N 6.96 -0.18 0.27 10.12 -0.02 -1.26 -0.73 135.00 150.16 1xb4 n PRO 11 Ca 0.11 0.91 0.09 0.00 -2.02 0.00 0.00 63.50 62.59 1xb4 n PRO 11 Cb 0.47 -1.35 0.35 0.00 -0.02 0.00 0.00 33.50 32.95 1xb4 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xb4 h PRO 12 N 0.00 0.00 -0.12 0.52 0.11 -1.93 0.35 132.00 130.92 1xb4 h PRO 12 Ca 0.17 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 1xb4 h PRO 12 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1xb4 h PRO 12 CO -0.58 0.00 -0.76 1.25 -0.21 0.00 0.00 178.00 177.69 1xb4 h LEU 13 N 0.00 0.77 -1.13 2.35 5.85 -1.28 -3.13 115.31 118.74 1xb4 h LEU 13 Ca 0.05 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1xb4 h LEU 13 Cb 1.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1xb4 h LEU 13 CO -0.00 1.29 0.00 1.88 -0.34 0.00 0.00 178.44 181.27 1xb4 h TYR 14 N 0.44 0.00 -3.36 1.25 0.05 -0.48 -3.42 116.97 111.46 1xb4 h TYR 14 Ca -0.05 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.17 1xb4 h TYR 14 Cb 1.37 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.06 1xb4 h TYR 14 CO 0.07 0.00 0.06 0.99 -1.05 0.00 0.00 178.16 178.23 1xb4 s THR 15 N -3.53 5.06 0.56 -2.88 2.01 -1.19 -4.37 115.64 111.31 1xb4 s THR 15 Ca 0.03 1.38 -0.20 0.00 0.31 0.00 0.00 61.69 63.21 1xb4 s THR 15 Cb 0.09 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1xb4 s THR 15 CO 0.52 0.26 1.21 -0.60 -0.69 0.00 0.00 174.62 175.32 1xb4 s ARG 16 N 0.81 3.14 -0.18 4.92 3.52 -1.26 -4.97 118.95 124.92 1xb4 s ARG 16 Ca 0.36 1.84 -0.07 0.00 -0.13 0.00 0.00 55.73 57.74 1xb4 s ARG 16 Cb -0.17 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1xb4 s ARG 16 CO 0.17 -1.08 0.04 -0.65 -0.81 0.00 0.00 175.30 172.97 1xb4 s GLN 17 N -3.19 3.87 -0.60 5.12 -1.52 -1.26 -5.04 119.66 117.04 1xb4 s GLN 17 Ca 0.74 -0.40 -0.28 0.00 -1.95 0.00 0.00 55.36 53.48 1xb4 s GLN 17 Cb -0.31 -3.16 0.03 0.00 -0.22 0.00 0.00 33.01 29.36 1xb4 s GLN 17 CO 0.34 0.21 1.17 -1.25 -0.25 0.00 0.00 175.29 175.52 1xb4 s PRO 18 N 0.51 3.45 0.00 2.91 0.04 -1.26 -4.24 135.00 136.41 1xb4 s PRO 18 Ca 0.02 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1xb4 s PRO 18 Cb -0.13 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1xb4 s PRO 18 CO 0.01 -1.71 0.00 -1.71 0.04 0.00 0.00 177.00 173.63 1xb4 n ASN 19 N 8.43 0.00 -0.13 6.66 2.85 -1.26 -4.90 115.26 126.90 1xb4 n ASN 19 Ca 0.07 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.46 1xb4 n ASN 19 Cb 0.49 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.49 1xb4 n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xb4 h SER 20 N 0.00 -1.15 0.15 1.20 0.87 -1.99 0.18 113.55 112.81 1xb4 h SER 20 Ca 0.00 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1xb4 h SER 20 Cb 0.00 0.54 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1xb4 h SER 20 CO 0.00 -0.33 -0.25 -0.07 -0.53 0.00 0.00 176.83 175.65 1xb4 h LEU 21 N -0.25 -0.73 0.30 2.23 3.38 -1.97 -2.07 115.31 116.20 1xb4 h LEU 21 Ca 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1xb4 h LEU 21 Cb 0.55 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1xb4 h LEU 21 CO -0.57 -0.30 -0.39 0.74 0.09 0.00 0.00 178.44 178.01 1xb4 h THR 22 N -0.43 0.00 -0.94 0.22 2.02 -1.83 -2.57 112.91 109.38 1xb4 h THR 22 Ca -0.02 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.45 1xb4 h THR 22 Cb 0.40 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.65 1xb4 h THR 22 CO -0.09 0.00 0.32 -0.09 0.37 0.00 0.00 175.52 176.03 1xb4 h ARG 23 N -0.71 0.17 -0.83 6.66 2.43 -0.71 0.47 114.38 121.86 1xb4 h ARG 23 Ca -0.04 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1xb4 h ARG 23 Cb 0.64 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.05 1xb4 h ARG 23 CO -0.10 0.11 0.37 -0.09 -1.51 0.00 0.00 179.97 178.76 1xb4 h ARG 24 N 0.18 0.49 0.02 0.20 9.65 -0.95 0.27 114.38 124.24 1xb4 h ARG 24 Ca 0.64 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.49 1xb4 h ARG 24 Cb 1.42 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1xb4 h ARG 24 CO -0.70 0.32 -0.01 1.96 2.80 0.00 0.00 179.97 184.34 1xb4 h GLN 25 N 0.50 -0.03 -0.68 0.20 1.08 -0.04 -2.87 115.11 113.28 1xb4 h GLN 25 Ca 0.47 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.81 1xb4 h GLN 25 Cb 0.74 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.05 1xb4 h GLN 25 CO -0.42 0.68 -0.15 0.37 -0.95 0.00 0.00 178.83 178.36 1xb4 h GLN 26 N -0.79 0.01 -0.10 1.46 4.15 -0.56 0.68 115.11 119.96 1xb4 h GLN 26 Ca -0.00 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1xb4 h GLN 26 Cb 0.72 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1xb4 h GLN 26 CO 0.00 0.01 0.02 0.82 -1.93 0.00 0.00 178.83 177.75 1xb4 h ILE 27 N 0.01 0.97 -0.56 2.39 2.04 -0.55 -1.63 117.51 120.18 1xb4 h ILE 27 Ca 0.33 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 66.28 1xb4 h ILE 27 Cb 0.51 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 1xb4 h ILE 27 CO -0.69 0.01 0.00 0.28 0.00 0.00 0.00 178.15 177.75 1xb4 h SER 28 N 0.07 -0.24 -0.64 1.72 0.02 -0.72 0.57 113.55 114.33 1xb4 h SER 28 Ca 0.04 0.13 0.13 0.00 -0.84 0.00 0.00 61.79 61.26 1xb4 h SER 28 Cb 0.03 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.71 1xb4 h SER 28 CO -0.05 -0.09 0.08 0.74 -1.14 0.00 0.00 176.83 176.37 1xb4 h THR 29 N 0.12 0.54 -0.14 -2.27 2.02 -0.18 0.35 112.91 113.36 1xb4 h THR 29 Ca 0.29 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1xb4 h THR 29 Cb 0.44 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xb4 h THR 29 CO -0.47 0.04 0.01 -0.50 0.37 0.00 0.00 175.52 174.96 1xb4 h TRP 30 N 0.19 0.26 -0.41 3.16 4.06 0.27 0.89 115.95 124.37 1xb4 h TRP 30 Ca 0.34 -0.04 0.07 0.00 2.06 0.00 0.00 58.89 61.32 1xb4 h TRP 30 Cb 0.55 -0.07 -0.09 0.00 -1.00 0.00 0.00 29.16 28.55 1xb4 h TRP 30 CO -0.30 0.45 -0.43 0.82 -3.56 0.00 0.00 178.44 175.42 1xb4 h ILE 31 N -0.02 0.11 -0.51 1.49 1.08 0.13 -0.09 117.51 119.70 1xb4 h ILE 31 Ca 0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1xb4 h ILE 31 Cb 0.35 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.12 1xb4 h ILE 31 CO 0.01 0.00 0.04 -0.78 -0.69 0.00 0.00 178.15 176.73 1xb4 h ASP 32 N -0.33 -0.13 -0.90 1.72 1.82 -0.06 -1.25 116.42 117.30 1xb4 h ASP 32 Ca 0.14 0.11 0.06 0.00 -0.39 0.00 0.00 57.03 56.95 1xb4 h ASP 32 Cb 0.58 0.18 -0.06 0.00 0.68 0.00 0.00 39.33 40.71 1xb4 h ASP 32 CO -0.58 -0.04 0.57 0.40 -1.61 0.00 0.00 179.24 177.98 1xb4 h ILE 33 N 0.16 1.07 0.82 2.25 2.04 0.63 -1.93 117.51 122.55 1xb4 h ILE 33 Ca 0.26 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1xb4 h ILE 33 Cb 0.39 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1xb4 h ILE 33 CO -0.39 0.19 -0.50 0.40 0.00 0.00 0.00 178.15 177.85 1xb4 h ILE 34 N 1.04 0.01 0.02 -0.67 1.08 0.11 0.13 117.51 119.24 1xb4 h ILE 34 Ca 0.39 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.88 1xb4 h ILE 34 Cb 0.14 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 33.85 1xb4 h ILE 34 CO -0.16 0.00 -0.46 0.28 -0.69 0.00 0.00 178.15 177.12 1xb4 h SER 35 N -1.23 -1.39 -0.93 1.72 0.02 -1.27 0.12 113.55 110.59 1xb4 h SER 35 Ca -0.11 0.16 0.18 0.00 -0.84 0.00 0.00 61.79 61.18 1xb4 h SER 35 Cb 0.98 0.53 -0.10 0.00 0.14 0.00 0.00 62.40 63.95 1xb4 h SER 35 CO 0.12 -0.49 0.52 1.56 -1.14 0.00 0.00 176.83 177.40 1xb4 h GLN 36 N -0.63 0.65 0.68 3.45 1.08 -1.35 0.63 115.11 119.63 1xb4 h GLN 36 Ca 0.03 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1xb4 h GLN 36 Cb 0.69 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1xb4 h GLN 36 CO -0.32 0.43 -0.33 -0.92 -0.95 0.00 0.00 178.83 176.75 1xb4 h TYR 37 N 0.67 -0.85 -0.74 2.96 5.03 0.44 -1.82 116.97 122.67 1xb4 h TYR 37 Ca 0.53 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.92 1xb4 h TYR 37 Cb 0.82 0.28 -0.07 0.00 1.55 0.00 0.00 36.73 39.31 1xb4 h TYR 37 CO -0.05 -0.51 0.39 0.00 -1.32 0.00 0.00 178.16 176.66 1xb4 h LYS 39 N 0.65 -0.98 -0.14 0.00 3.64 0.29 0.36 116.57 120.40 1xb4 h LYS 39 Ca 0.36 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 1xb4 h LYS 39 Cb 0.37 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1xb4 h LYS 39 CO -0.26 -0.65 -0.18 1.79 -2.27 0.00 0.00 179.45 177.87 1xb4 h THR 40 N -1.02 1.20 -0.25 1.00 1.35 -1.01 -1.18 112.91 112.99 1xb4 h THR 40 Ca -0.06 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1xb4 h THR 40 Cb 0.88 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1xb4 h THR 40 CO -0.07 0.28 0.00 0.29 -0.25 0.00 0.00 175.52 175.77 1xb4 n LYS 41 N -4.23 1.74 -3.90 4.72 5.02 -0.45 -4.91 118.16 116.14 1xb4 n LYS 41 Ca -0.01 -1.13 -0.25 0.00 -2.02 0.00 0.00 58.31 54.91 1xb4 n LYS 41 Cb 0.30 -1.32 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1xb4 n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xb4 n LYS 42 N 0.38 -3.63 -4.04 1.97 4.76 0.41 -4.97 118.16 113.04 1xb4 n LYS 42 Ca 0.13 0.45 -0.26 0.00 -2.87 0.00 0.00 58.31 55.76 1xb4 n LYS 42 Cb 0.30 -4.67 -0.05 0.00 -1.84 0.00 0.00 35.03 28.78 1xb4 n LYS 42 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xb4 s ILE 43 N -3.90 4.75 0.00 -0.18 1.01 0.98 -5.02 121.20 118.83 1xb4 s ILE 43 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1xb4 s ILE 43 Cb -0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1xb4 s ILE 43 CO 0.87 -0.12 0.00 0.79 0.00 0.00 0.00 174.94 176.48 1xb4 n TRP 44 N -0.48 0.00 -4.24 3.97 7.02 -1.26 -4.59 117.44 117.85 1xb4 n TRP 44 Ca -0.08 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.08 1xb4 n TRP 44 Cb 0.55 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.35 1xb4 n TRP 44 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1xb4 s TYR 45 N -1.73 3.04 -0.05 -5.99 2.02 -1.26 -2.17 117.35 111.21 1xb4 s TYR 45 Ca 0.00 0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1xb4 s TYR 45 Cb 0.00 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1xb4 s TYR 45 CO 0.00 0.46 0.10 -1.64 -1.57 0.00 0.00 175.55 172.90 1xb4 s MET 46 N -1.82 0.02 0.49 -0.62 -1.94 -0.81 -2.10 119.30 112.53 1xb4 s MET 46 Ca 0.22 0.33 -0.19 0.00 -1.71 0.00 0.00 55.69 54.34 1xb4 s MET 46 Cb -0.12 -0.25 -0.08 0.00 2.01 0.00 0.00 34.83 36.39 1xb4 s MET 46 CO 0.13 -0.20 1.00 -1.54 -0.01 0.00 0.00 175.02 174.40 1xb4 s SER 47 N 1.36 6.54 0.49 3.03 1.04 0.69 0.36 113.70 127.21 1xb4 s SER 47 Ca -0.06 1.72 0.29 0.00 0.48 0.00 0.00 55.95 58.38 1xb4 s SER 47 Cb -0.12 -2.53 1.38 0.00 0.10 0.00 0.00 66.02 64.84 1xb4 s SER 47 CO -0.05 -0.64 1.83 -0.37 0.98 0.00 0.00 173.24 174.99 1xb4 h VAL 48 N 1.31 0.51 -0.00 5.02 -1.51 -1.79 0.73 116.25 120.51 1xb4 h VAL 48 Ca -0.48 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1xb4 h VAL 48 Cb 1.20 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1xb4 h VAL 48 CO 0.60 0.02 -0.02 -0.90 -1.23 0.00 0.00 177.57 176.04 1xb4 n ASP 49 N -4.35 0.32 0.00 4.19 3.85 -1.26 -4.85 116.55 114.45 1xb4 n ASP 49 Ca 0.23 -0.87 0.00 0.00 -0.71 0.00 0.00 54.79 53.44 1xb4 n ASP 49 Cb 1.02 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.73 1xb4 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xb4 n GLY 50 N 1.12 0.51 3.77 6.12 0.00 0.25 -4.67 105.19 112.30 1xb4 n GLY 50 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1xb4 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xb4 s THR 51 N -2.00 2.18 -0.27 2.61 2.01 -1.24 -1.95 115.64 116.98 1xb4 s THR 51 Ca 0.00 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1xb4 s THR 51 Cb 0.00 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1xb4 s THR 51 CO 0.00 0.03 0.17 0.68 -0.69 0.00 0.00 174.62 174.82 1xb4 s VAL 52 N -1.17 5.22 0.04 3.82 -7.23 -0.93 -0.23 120.40 119.92 1xb4 s VAL 52 Ca 0.56 0.14 -0.16 0.00 -1.81 0.00 0.00 61.98 60.71 1xb4 s VAL 52 Cb -0.44 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 32.96 1xb4 s VAL 52 CO 0.58 0.27 0.47 -0.63 -0.31 0.00 0.00 175.10 175.49 1xb4 s ILE 53 N 1.63 4.91 0.00 -0.62 1.09 -0.89 -4.87 121.20 122.45 1xb4 s ILE 53 Ca 0.07 0.97 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 1xb4 s ILE 53 Cb -0.16 -3.78 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 1xb4 s ILE 53 CO 0.09 0.54 0.00 -0.46 -0.10 0.00 0.00 174.94 175.02 1xb4 n ASN 54 N 1.70 0.48 -2.70 3.58 6.94 -1.26 -4.12 115.26 119.88 1xb4 n ASN 54 Ca -0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.39 1xb4 n ASN 54 Cb 0.52 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.98 1xb4 n ASN 54 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1xb4 n ASP 55 N 0.00 -2.07 0.00 0.53 3.85 -1.26 -5.10 116.55 112.50 1xb4 n ASP 55 Ca 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 1xb4 n ASP 55 Cb 0.00 1.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.90 1xb4 n ASP 55 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1xb4 n ASN 56 N 2.14 0.00 0.00 -1.12 2.85 -1.26 -5.26 115.26 112.61 1xb4 n ASN 56 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1xb4 n ASN 56 Cb 0.65 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1xb4 n ASN 56 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1xb4 n LYS 73 N -1.15 0.00 -4.06 1.20 4.81 -1.26 -5.36 118.16 112.34 1xb4 n LYS 73 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1xb4 n LYS 73 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 1xb4 n LYS 73 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1xb4 s ASN 74 N 0.00 0.92 0.00 3.14 3.04 -1.26 -2.19 114.94 118.58 1xb4 s ASN 74 Ca 0.00 -0.10 0.28 0.00 0.04 0.00 0.00 52.86 53.08 1xb4 s ASN 74 Cb 0.00 -0.40 1.47 0.00 -1.54 0.00 0.00 41.25 40.78 1xb4 s ASN 74 CO 0.00 -0.08 1.98 -0.11 -3.04 0.00 0.00 177.10 175.85 1xb4 n LEU 75 N 4.21 0.00 -0.34 3.21 7.94 -0.82 -3.08 117.00 128.11 1xb4 n LEU 75 Ca -0.23 0.23 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1xb4 n LEU 75 Cb 0.51 -0.23 0.02 0.00 0.53 0.00 0.00 43.42 44.25 1xb4 n LEU 75 CO 0.21 -0.02 0.31 0.49 -1.11 0.00 0.00 177.39 177.28 1xb4 n PHE 76 N -1.23 0.00 -3.94 1.96 0.99 -1.26 -4.84 117.46 109.14 1xb4 n PHE 76 Ca 0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.27 1xb4 n PHE 76 Cb 0.20 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.54 1xb4 n PHE 76 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1xb4 s ASN 77 N -1.26 4.86 -0.51 4.37 3.84 -1.18 -1.86 114.94 123.20 1xb4 s ASN 77 Ca 0.11 -1.78 -0.21 0.00 0.21 0.00 0.00 52.86 51.19 1xb4 s ASN 77 Cb 0.09 -1.68 0.05 0.00 -0.55 0.00 0.00 41.25 39.16 1xb4 s ASN 77 CO 0.23 -0.36 0.74 0.21 -2.79 0.00 0.00 177.10 175.12 1xb4 s ASN 78 N 1.25 6.28 0.03 -4.21 3.84 0.43 -4.71 114.94 117.86 1xb4 s ASN 78 Ca 0.03 -0.62 -0.26 0.00 0.21 0.00 0.00 52.86 52.21 1xb4 s ASN 78 Cb -0.20 -2.34 -0.17 0.00 -0.55 0.00 0.00 41.25 37.98 1xb4 s ASN 78 CO -0.05 -0.98 1.37 -0.33 -2.79 0.00 0.00 177.10 174.32 1xb4 h GLU 79 N 9.08 -0.46 -0.98 0.43 4.39 -1.92 -0.34 114.58 124.78 1xb4 h GLU 79 Ca -0.27 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.62 1xb4 h GLU 79 Cb 1.09 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.75 1xb4 h GLU 79 CO 0.99 -0.18 0.59 -0.44 -1.16 0.00 0.00 179.01 178.82 1xb4 h ASP 80 N -0.71 0.81 0.57 1.42 3.45 -1.96 -1.21 116.42 118.78 1xb4 h ASP 80 Ca -0.05 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1xb4 h ASP 80 Cb 0.49 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1xb4 h ASP 80 CO 0.08 0.36 -0.51 -0.38 -1.57 0.00 0.00 179.24 177.22 1xb4 n ILE 81 N -4.72 0.05 -3.55 0.35 2.08 -1.22 -4.97 119.36 107.38 1xb4 n ILE 81 Ca 0.20 -0.04 -0.21 0.00 0.56 0.00 0.00 62.75 63.26 1xb4 n ILE 81 Cb 0.46 0.16 0.05 0.00 -0.75 0.00 0.00 39.64 39.56 1xb4 n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xb4 n GLN 82 N -1.59 -3.86 -3.78 0.38 6.02 -0.19 -5.01 117.38 109.34 1xb4 n GLN 82 Ca 0.05 0.68 -0.13 0.00 -0.01 0.00 0.00 57.00 57.60 1xb4 n GLN 82 Cb 0.35 -5.24 -0.09 0.00 1.02 0.00 0.00 30.24 26.28 1xb4 n GLN 82 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xb4 s ARG 83 N -5.51 0.65 -0.10 -1.09 1.81 -0.89 -5.04 118.95 108.79 1xb4 s ARG 83 Ca 0.20 -0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 53.86 1xb4 s ARG 83 Cb -0.05 0.28 0.03 0.00 -0.45 0.00 0.00 34.95 34.77 1xb4 s ARG 83 CO 0.79 -0.18 0.26 -1.12 -0.68 0.00 0.00 175.30 174.37 1xb4 s SER 84 N -1.42 -0.27 0.10 0.23 0.01 -1.26 -0.43 113.70 110.67 1xb4 s SER 84 Ca -0.13 0.52 -0.30 0.00 1.31 0.00 0.00 55.95 57.35 1xb4 s SER 84 Cb -0.05 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.63 1xb4 s SER 84 CO 0.03 -0.10 1.14 -0.69 0.41 0.00 0.00 173.24 174.03 1xb4 s VAL 85 N 0.25 4.03 0.46 3.43 1.01 -0.78 -4.90 120.40 123.90 1xb4 s VAL 85 Ca -0.01 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.29 1xb4 s VAL 85 Cb -0.03 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1xb4 s VAL 85 CO -0.01 0.18 1.35 -0.94 0.00 0.00 0.00 175.10 175.68 1xb4 s SER 86 N 0.59 5.89 0.23 3.32 1.04 -1.26 -4.77 113.70 118.74 1xb4 s SER 86 Ca 0.54 2.74 -0.06 0.00 0.48 0.00 0.00 55.95 59.65 1xb4 s SER 86 Cb -0.29 -2.64 0.37 0.00 0.10 0.00 0.00 66.02 63.56 1xb4 s SER 86 CO 0.31 -1.15 1.76 -0.61 0.98 0.00 0.00 173.24 174.54 1xb4 h GLN 87 N 2.20 0.50 -0.62 4.02 5.75 -1.98 0.93 115.11 125.91 1xb4 h GLN 87 Ca -0.50 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.07 1xb4 h GLN 87 Cb 1.27 -0.11 -0.12 0.00 1.07 0.00 0.00 27.48 29.59 1xb4 h GLN 87 CO 0.60 0.33 -0.36 0.28 -2.65 0.00 0.00 178.83 177.03 1xb4 h VAL 88 N 0.52 0.14 0.54 2.39 2.07 -2.00 0.19 116.25 120.09 1xb4 h VAL 88 Ca 0.37 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.86 1xb4 h VAL 88 Cb 0.46 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xb4 h VAL 88 CO -0.32 0.00 -0.26 0.15 0.02 0.00 0.00 177.57 177.16 1xb4 h PHE 89 N -0.17 -0.67 -0.92 1.57 -0.00 -1.45 -2.63 116.94 112.67 1xb4 h PHE 89 Ca 0.23 -0.02 0.22 0.00 -0.00 0.00 0.00 57.97 58.40 1xb4 h PHE 89 Cb 0.56 0.22 -0.17 0.00 -0.00 0.00 0.00 35.95 36.56 1xb4 h PHE 89 CO -0.67 -0.39 -0.07 0.82 -0.00 0.00 0.00 178.31 177.99 1xb4 h ILE 90 N -0.79 0.11 -0.86 1.41 2.04 0.27 1.09 117.51 120.77 1xb4 h ILE 90 Ca -0.07 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1xb4 h ILE 90 Cb 0.58 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1xb4 h ILE 90 CO 0.12 0.00 0.53 0.44 0.00 0.00 0.00 178.15 179.25 1xb4 h ASP 91 N 0.03 0.83 -0.65 1.72 3.32 -0.41 0.12 116.42 121.38 1xb4 h ASP 91 Ca 0.50 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.56 1xb4 h ASP 91 Cb 0.92 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1xb4 h ASP 91 CO -0.88 0.52 0.34 -0.33 -1.72 0.00 0.00 179.24 177.18 1xb4 h GLU 92 N 0.96 0.91 0.11 3.56 5.08 0.14 -1.72 114.58 123.63 1xb4 h GLU 92 Ca 0.38 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1xb4 h GLU 92 Cb 0.20 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1xb4 h GLU 92 CO -0.18 0.70 -0.31 0.82 -1.00 0.00 0.00 179.01 179.04 1xb4 h ILE 93 N 0.89 0.34 0.48 3.13 1.08 0.10 -1.03 117.51 122.50 1xb4 h ILE 93 Ca 0.23 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1xb4 h ILE 93 Cb 0.06 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1xb4 h ILE 93 CO -0.03 0.00 -0.38 -0.50 -0.69 0.00 0.00 178.15 176.54 1xb4 h TRP 94 N -0.52 -1.05 -0.68 1.37 -0.00 -0.55 0.16 115.95 114.67 1xb4 h TRP 94 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.05 1xb4 h TRP 94 Cb 0.56 0.40 -0.13 0.00 -0.00 0.00 0.00 29.16 29.98 1xb4 h TRP 94 CO -0.28 -0.54 -0.24 0.66 -0.00 0.00 0.00 178.44 178.04 1xb4 h SER 95 N -0.84 -0.87 -0.32 -3.49 4.64 -1.29 1.36 113.55 112.75 1xb4 h SER 95 Ca -0.06 0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 1xb4 h SER 95 Cb 0.70 0.50 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1xb4 h SER 95 CO 0.00 -0.26 -0.14 -0.61 -0.87 0.00 0.00 176.83 174.95 1xb4 h GLN 96 N -0.06 -0.09 0.00 4.77 5.75 -0.89 1.25 115.11 125.84 1xb4 h GLN 96 Ca 0.31 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 1xb4 h GLN 96 Cb 0.54 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1xb4 h GLN 96 CO -0.73 -0.06 -0.10 1.98 -2.65 0.00 0.00 178.83 177.27 1xb4 h MET 97 N -0.09 0.00 -0.00 1.69 4.05 0.30 -1.18 114.93 119.71 1xb4 h MET 97 Ca 0.16 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1xb4 h MET 97 Cb 0.33 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1xb4 h MET 97 CO -0.37 0.10 -0.42 1.15 0.23 0.00 0.00 176.91 177.60 1xb4 h THR 98 N 0.00 1.49 -0.96 -0.77 2.02 0.56 -0.80 112.91 114.45 1xb4 h THR 98 Ca -0.00 -2.01 0.13 0.00 0.77 0.00 0.00 66.41 65.30 1xb4 h THR 98 Cb 0.19 2.69 -0.08 0.00 -1.74 0.00 0.00 68.15 69.21 1xb4 h THR 98 CO 0.01 0.57 0.61 0.50 0.37 0.00 0.00 175.52 177.58 1xb4 h LYS 99 N -0.32 0.84 0.00 6.66 3.64 0.21 0.33 116.57 127.93 1xb4 h LYS 99 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xb4 h LYS 99 Cb 1.15 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1xb4 h LYS 99 CO 0.08 0.56 0.00 0.39 -2.27 0.00 0.00 179.45 178.21 1xb4 n GLU 100 N -4.60 0.03 -1.00 1.90 1.02 -0.51 -4.90 120.64 112.57 1xb4 n GLU 100 Ca 0.18 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1xb4 n GLU 100 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1xb4 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xb4 n GLY 101 N 1.18 0.52 0.18 0.62 0.00 0.10 -4.91 105.19 102.88 1xb4 n GLY 101 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1xb4 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xb4 h LYS 102 N 1.11 0.00 -4.14 1.61 1.79 -1.39 -3.43 116.57 112.12 1xb4 h LYS 102 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1xb4 h LYS 102 Cb 0.02 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.53 1xb4 h LYS 102 CO 0.00 0.00 -0.50 0.00 -1.08 0.00 0.00 179.45 177.87 1xb4 s LEU 104 N -2.99 1.54 -0.01 0.00 2.96 0.85 -4.66 118.68 116.37 1xb4 s LEU 104 Ca 0.18 -0.48 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 1xb4 s LEU 104 Cb 0.06 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 1xb4 s LEU 104 CO -0.01 -0.11 1.34 -2.84 -1.32 0.00 0.00 176.35 173.41 1xb4 s PRO 105 N 1.58 4.31 0.08 0.98 0.02 -1.26 0.58 135.00 141.29 1xb4 s PRO 105 Ca 0.04 1.89 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 1xb4 s PRO 105 Cb -0.13 -3.55 -0.03 0.00 0.02 0.00 0.00 34.50 30.81 1xb4 s PRO 105 CO -0.09 -0.53 0.05 0.96 -0.33 0.00 0.00 177.00 177.07 1xb4 s ILE 106 N 2.25 0.18 0.00 2.83 -4.36 -0.70 -3.56 121.20 117.84 1xb4 s ILE 106 Ca 0.62 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1xb4 s ILE 106 Cb -0.30 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 41.86 1xb4 s ILE 106 CO 0.26 -0.81 0.00 -0.90 0.24 0.00 0.00 174.94 173.73 1xb4 n ASP 107 N 0.02 0.66 -0.16 4.36 3.85 -1.07 -0.67 116.55 123.54 1xb4 n ASP 107 Ca -0.13 -0.76 -0.02 0.00 -0.71 0.00 0.00 54.79 53.17 1xb4 n ASP 107 Cb 0.62 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.45 1xb4 n ASP 107 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1xb4 h GLN 108 N 0.00 0.14 0.00 0.11 4.20 -1.97 -3.41 115.11 114.17 1xb4 h GLN 108 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xb4 h GLN 108 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xb4 h GLN 108 CO 0.00 0.09 0.00 -1.13 -0.67 0.00 0.00 178.83 177.12 1xb4 n SER 109 N -5.21 0.00 0.00 1.46 3.41 -1.26 -5.09 113.62 106.93 1xb4 n SER 109 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1xb4 n SER 109 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1xb4 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xb4 n GLY 110 N 5.00 -1.31 2.93 5.00 0.00 -1.26 -5.03 105.19 110.52 1xb4 n GLY 110 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1xb4 n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xb4 s ARG 111 N 0.00 0.20 0.09 1.61 3.52 -1.26 -2.61 118.95 120.49 1xb4 s ARG 111 Ca 0.00 -0.28 -0.08 0.00 -0.13 0.00 0.00 55.73 55.25 1xb4 s ARG 111 Cb 0.00 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1xb4 s ARG 111 CO 0.00 0.00 0.38 -2.13 -0.81 0.00 0.00 175.30 172.74 1xb4 n ARG 112 N 2.47 0.28 -1.54 5.12 3.00 -1.23 -4.89 116.66 119.87 1xb4 n ARG 112 Ca -0.17 -0.62 -0.30 0.00 -0.00 0.00 0.00 57.85 56.77 1xb4 n ARG 112 Cb 0.58 0.82 0.18 0.00 0.00 0.00 0.00 32.46 34.04 1xb4 n ARG 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xb4 s SER 113 N -1.90 2.60 0.00 6.15 0.15 -1.26 -4.58 113.70 114.85 1xb4 s SER 113 Ca 0.08 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1xb4 s SER 113 Cb -0.01 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1xb4 s SER 113 CO 0.03 -3.08 0.78 -0.24 1.20 0.00 0.00 173.24 171.92 1xb4 n SER 114 N -4.06 0.00 -0.10 5.45 2.88 -1.26 -2.78 113.62 113.74 1xb4 n SER 114 Ca 0.12 0.78 -0.08 0.00 -1.33 0.00 0.00 58.87 58.35 1xb4 n SER 114 Cb 0.59 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 1xb4 n SER 114 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1xb4 h ASN 115 N 0.00 -1.07 0.00 -3.46 4.21 -1.96 0.35 115.58 113.65 1xb4 h ASN 115 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1xb4 h ASN 115 Cb 0.00 0.49 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1xb4 h ASN 115 CO 0.00 -0.33 0.00 0.35 -1.29 0.00 0.00 177.43 176.16 1xb4 n THR 116 N -5.41 0.00 -3.02 2.81 -2.24 -1.13 -4.55 114.28 100.74 1xb4 n THR 116 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1xb4 n THR 116 Cb 0.33 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1xb4 n THR 116 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xb4 n THR 117 N 0.19 -9.88 -2.97 4.28 -1.04 0.12 -4.60 114.28 100.38 1xb4 n THR 117 Ca 0.00 0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 62.02 1xb4 n THR 117 Cb 0.00 -6.68 -0.05 0.00 -1.82 0.00 0.00 70.33 61.78 1xb4 n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xb4 s THR 118 N -2.66 4.91 -0.14 12.58 -1.32 -0.88 -4.40 115.64 123.74 1xb4 s THR 118 Ca 0.17 1.44 0.11 0.00 -1.21 0.00 0.00 61.69 62.20 1xb4 s THR 118 Cb -0.04 -4.06 -0.23 0.00 -1.51 0.00 0.00 72.50 66.65 1xb4 s THR 118 CO 0.78 0.01 0.30 1.07 -2.21 0.00 0.00 174.62 174.57 1xb4 n THR 119 N 4.96 1.53 -4.07 5.08 5.66 0.16 -4.91 114.28 122.70 1xb4 n THR 119 Ca 0.03 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 60.11 1xb4 n THR 119 Cb 0.49 -0.94 -0.04 0.00 -1.55 0.00 0.00 70.33 68.29 1xb4 n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xb4 s ARG 120 N -2.54 1.90 0.07 1.09 1.70 -0.77 -2.31 118.95 118.10 1xb4 s ARG 120 Ca -0.12 -1.71 0.07 0.00 -0.47 0.00 0.00 55.73 53.50 1xb4 s ARG 120 Cb 0.07 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 1xb4 s ARG 120 CO 0.80 -0.80 -0.20 0.71 -1.08 0.00 0.00 175.30 174.73 1xb4 s TYR 121 N -3.07 1.69 -0.35 5.89 1.51 0.16 -1.73 117.35 121.45 1xb4 s TYR 121 Ca 0.29 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 1xb4 s TYR 121 Cb -0.01 -0.97 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1xb4 s TYR 121 CO 0.19 0.13 0.27 0.12 -1.11 0.00 0.00 175.55 175.15 1xb4 s PHE 122 N -0.99 3.23 -0.19 2.71 5.99 0.20 -1.92 117.98 127.00 1xb4 s PHE 122 Ca 0.06 -0.22 -0.29 0.00 0.00 0.00 0.00 56.93 56.48 1xb4 s PHE 122 Cb -0.09 -2.52 0.00 0.00 0.00 0.00 0.00 43.02 40.40 1xb4 s PHE 122 CO 0.03 -0.40 1.01 0.42 -0.00 0.00 0.00 175.22 176.28 1xb4 s ILE 123 N 1.77 4.73 -1.09 3.12 -1.09 -0.92 0.29 121.20 128.01 1xb4 s ILE 123 Ca 0.07 2.01 -0.09 0.00 -2.23 0.00 0.00 60.65 60.41 1xb4 s ILE 123 Cb -0.17 -4.30 0.27 0.00 -1.58 0.00 0.00 42.46 36.68 1xb4 s ILE 123 CO 0.11 -0.11 1.08 -0.76 -1.23 0.00 0.00 174.94 174.03 1xb4 s LEU 124 N 2.75 6.33 0.00 2.97 1.02 0.29 -4.74 118.68 127.30 1xb4 s LEU 124 Ca 0.45 -3.56 0.30 0.00 0.02 0.00 0.00 54.13 51.33 1xb4 s LEU 124 Cb -0.16 -2.20 1.43 0.00 0.02 0.00 0.00 46.19 45.28 1xb4 s LEU 124 CO 0.10 -0.29 2.01 -2.67 0.02 0.00 0.00 176.35 175.52 1xb4 n TRP 125 N 2.74 0.00 -3.78 0.29 4.27 -1.26 -4.52 117.44 115.18 1xb4 n TRP 125 Ca 0.23 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.66 1xb4 n TRP 125 Cb 0.39 -0.33 -0.17 0.00 -1.36 0.00 0.00 31.31 29.84 1xb4 n TRP 125 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1xb4 s LYS 126 N -2.68 0.12 0.87 -2.67 2.20 -1.26 -5.13 119.74 111.19 1xb4 s LYS 126 Ca 0.25 0.22 -0.16 0.00 -0.36 0.00 0.00 55.97 55.92 1xb4 s LYS 126 Cb 0.20 -0.50 -0.07 0.00 -1.51 0.00 0.00 37.83 35.95 1xb4 s LYS 126 CO 0.48 -0.24 -0.06 0.45 -0.36 0.00 0.00 175.35 175.63 1xb4 n SER 127 N 4.71 -3.48 0.16 1.43 2.88 -1.26 -4.61 113.62 113.45 1xb4 n SER 127 Ca -0.16 0.37 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 1xb4 n SER 127 Cb 0.50 -1.01 -0.08 0.00 -0.75 0.00 0.00 64.21 62.87 1xb4 n SER 127 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xb4 h LEU 128 N -0.93 -0.35 -0.96 2.46 3.38 -1.93 0.15 115.31 117.13 1xb4 h LEU 128 Ca -0.44 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 57.61 1xb4 h LEU 128 Cb 1.32 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.04 1xb4 h LEU 128 CO 0.33 -0.04 0.53 0.44 0.09 0.00 0.00 178.44 179.78 1xb4 h ASP 129 N -0.67 0.59 0.40 -0.43 3.45 -1.90 0.76 116.42 118.63 1xb4 h ASP 129 Ca -0.04 0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 1xb4 h ASP 129 Cb 0.47 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1xb4 h ASP 129 CO 0.07 0.11 -0.22 -1.28 -1.57 0.00 0.00 179.24 176.36 1xb4 h SER 130 N 0.56 -0.52 -0.98 6.45 0.87 -1.76 -0.56 113.55 117.61 1xb4 h SER 130 Ca 0.60 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 61.23 1xb4 h SER 130 Cb 1.08 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 63.13 1xb4 h SER 130 CO -0.47 -0.36 0.64 -0.50 -0.53 0.00 0.00 176.83 175.62 1xb4 h TRP 131 N -0.57 1.18 -0.47 2.24 4.06 0.21 -1.00 115.95 121.59 1xb4 h TRP 131 Ca -0.05 0.03 0.09 0.00 2.06 0.00 0.00 58.89 61.02 1xb4 h TRP 131 Cb 0.45 -0.39 -0.08 0.00 -1.00 0.00 0.00 29.16 28.14 1xb4 h TRP 131 CO -0.07 0.65 -0.06 0.00 -3.56 0.00 0.00 178.44 175.41 1xb4 h ALA 132 N 1.45 0.37 0.57 1.49 0.00 0.12 0.96 119.26 124.21 1xb4 h ALA 132 Ca 0.40 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 1xb4 h ALA 132 Cb 0.08 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xb4 h ALA 132 CO -0.14 -0.42 -0.27 0.77 0.00 0.00 0.00 179.25 179.19 1xb4 h SER 133 N 0.05 -0.64 -0.99 0.00 0.02 0.11 0.16 113.55 112.26 1xb4 h SER 133 Ca 0.23 -0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.35 1xb4 h SER 133 Cb 0.35 0.17 -0.10 0.00 0.14 0.00 0.00 62.40 62.96 1xb4 h SER 133 CO -0.44 -0.39 0.61 0.25 -1.14 0.00 0.00 176.83 175.73 1xb4 h LEU 134 N -0.86 0.73 0.28 5.07 5.85 -0.84 1.01 115.31 126.55 1xb4 h LEU 134 Ca -0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xb4 h LEU 134 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1xb4 h LEU 134 CO 0.13 0.27 -0.14 0.40 -0.34 0.00 0.00 178.44 178.76 1xb4 h ILE 135 N 0.71 0.58 -0.78 4.05 2.04 -0.65 -2.10 117.51 121.37 1xb4 h ILE 135 Ca 0.56 -0.82 0.16 0.00 1.00 0.00 0.00 64.86 65.75 1xb4 h ILE 135 Cb 0.94 0.92 -0.15 0.00 -0.74 0.00 0.00 36.82 37.79 1xb4 h ILE 135 CO -0.34 0.13 -0.17 0.25 0.00 0.00 0.00 178.15 178.02 1xb4 h LEU 136 N -0.91 -0.69 -0.23 1.44 5.85 0.60 0.73 115.31 122.09 1xb4 h LEU 136 Ca -0.04 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1xb4 h LEU 136 Cb 0.51 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1xb4 h LEU 136 CO 0.06 -0.25 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.04 1xb4 h GLN 137 N 0.01 -0.16 -0.88 1.25 -0.00 0.11 -0.63 115.11 114.81 1xb4 h GLN 137 Ca 0.38 0.01 0.12 0.00 -0.00 0.00 0.00 58.65 59.16 1xb4 h GLN 137 Cb 0.59 0.04 -0.13 0.00 0.00 0.00 0.00 27.48 27.97 1xb4 h GLN 137 CO -0.79 -0.10 -0.40 1.87 0.00 0.00 0.00 178.83 179.40 1xb4 n TRP 138 N -3.98 -0.11 -0.23 3.99 -0.00 0.19 0.39 117.44 117.69 1xb4 n TRP 138 Ca -0.01 1.09 -0.02 0.00 -0.00 0.00 0.00 57.50 58.56 1xb4 n TRP 138 Cb 0.16 -0.74 0.05 0.00 -0.00 0.00 0.00 31.31 30.77 1xb4 n TRP 138 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1xb4 h PHE 139 N 0.00 -0.62 0.07 5.87 0.04 -0.47 0.45 116.94 122.28 1xb4 h PHE 139 Ca 0.25 0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 1xb4 h PHE 139 Cb 0.47 0.37 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1xb4 h PHE 139 CO -0.82 -0.34 -0.03 0.93 -0.60 0.00 0.00 178.31 177.45 1xb4 h GLU 140 N -0.07 -0.09 0.00 1.51 5.08 0.46 -1.77 114.58 119.71 1xb4 h GLU 140 Ca 0.30 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1xb4 h GLU 140 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xb4 h GLU 140 CO -0.72 0.35 0.00 -0.25 -1.00 0.00 0.00 179.01 177.39 1xb4 n ASP 141 N -4.91 0.00 -0.13 1.42 9.92 0.97 0.42 116.55 124.24 1xb4 n ASP 141 Ca -0.08 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1xb4 n ASP 141 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1xb4 n ASP 141 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1xb4 n SER 142 N -0.59 0.14 0.00 -2.24 7.64 0.06 -4.99 113.62 113.65 1xb4 n SER 142 Ca 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1xb4 n SER 142 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1xb4 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xb4 n GLY 143 N -0.05 0.00 0.05 0.23 0.00 0.17 -4.69 105.19 100.90 1xb4 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xb4 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xb4 n LYS 144 N -0.95 0.00 0.00 1.61 5.02 -0.95 -4.17 118.16 118.72 1xb4 n LYS 144 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xb4 n LYS 144 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1xb4 n LYS 144 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xb4 n LEU 145 N -0.36 0.00 0.00 -0.35 7.94 -1.16 -1.45 117.00 121.63 1xb4 n LEU 145 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xb4 n LEU 145 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xb4 n LEU 145 CO 0.00 0.00 -0.00 -3.20 -1.11 0.00 0.00 177.39 173.08 1xb4 n ASN 146 N -0.29 0.02 -3.02 1.96 5.15 -1.23 -4.71 115.26 113.15 1xb4 n ASN 146 Ca 0.00 -0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.82 1xb4 n ASN 146 Cb 0.00 0.01 0.12 0.00 -0.53 0.00 0.00 39.78 39.38 1xb4 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xb4 n GLN 147 N -0.01 -1.28 -3.90 1.20 6.02 -0.53 -4.82 117.38 114.07 1xb4 n GLN 147 Ca 0.00 -1.01 -0.30 0.00 -0.01 0.00 0.00 57.00 55.68 1xb4 n GLN 147 Cb 0.00 -0.77 -0.15 0.00 1.02 0.00 0.00 30.24 30.34 1xb4 n GLN 147 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xb4 s VAL 148 N -2.32 1.69 0.05 5.09 1.01 -1.26 -4.09 120.40 120.57 1xb4 s VAL 148 Ca 0.38 -1.98 0.03 0.00 0.00 0.00 0.00 61.98 60.42 1xb4 s VAL 148 Cb -0.02 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1xb4 s VAL 148 CO 0.28 -0.64 -0.01 -0.51 0.00 0.00 0.00 175.10 174.22 1xb4 s ILE 149 N 1.16 4.01 0.56 2.22 2.07 -0.64 -4.89 121.20 125.70 1xb4 s ILE 149 Ca 0.11 -0.83 -0.11 0.00 -1.41 0.00 0.00 60.65 58.41 1xb4 s ILE 149 Cb -0.18 -2.85 -0.05 0.00 0.13 0.00 0.00 42.46 39.51 1xb4 s ILE 149 CO -0.15 0.24 0.95 0.42 -1.91 0.00 0.00 174.94 174.50 1xb4 s THR 150 N -1.20 4.73 0.28 4.00 -4.23 -1.26 -0.54 115.64 117.43 1xb4 s THR 150 Ca 0.23 0.77 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1xb4 s THR 150 Cb -0.12 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.94 1xb4 s THR 150 CO 0.14 -0.98 1.71 -0.07 -0.54 0.00 0.00 174.62 174.88 1xb4 h LEU 151 N 0.09 0.41 -0.16 4.79 3.38 -1.26 -0.72 115.31 121.84 1xb4 h LEU 151 Ca -0.45 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1xb4 h LEU 151 Cb 1.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1xb4 h LEU 151 CO 0.62 0.71 0.10 0.22 0.09 0.00 0.00 178.44 180.18 1xb4 h TYR 152 N 0.35 0.18 0.00 1.13 5.03 -1.94 -0.59 116.97 121.14 1xb4 h TYR 152 Ca 0.04 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 1xb4 h TYR 152 Cb 0.73 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1xb4 h TYR 152 CO 0.02 0.11 -0.27 1.49 -1.32 0.00 0.00 178.16 178.20 1xb4 h GLU 153 N 0.20 0.00 0.00 1.82 4.81 -1.87 -0.16 114.58 119.38 1xb4 h GLU 153 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1xb4 h GLU 153 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1xb4 h GLU 153 CO -0.02 0.27 0.00 1.25 -0.73 0.00 0.00 179.01 179.78 1xb4 h LEU 154 N 0.00 0.00 -5.57 1.64 5.85 0.45 -3.43 115.31 114.25 1xb4 h LEU 154 Ca -0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 1xb4 h LEU 154 Cb 0.60 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.37 1xb4 h LEU 154 CO 0.03 0.00 -0.72 -1.54 -0.34 0.00 0.00 178.44 175.88 1xb4 n SER 155 N -2.40 -2.05 -2.35 1.25 3.41 -0.08 -4.75 113.62 106.64 1xb4 n SER 155 Ca -0.02 -2.74 -0.34 0.00 -0.26 0.00 0.00 58.87 55.51 1xb4 n SER 155 Cb 0.04 0.74 0.07 0.00 -0.26 0.00 0.00 64.21 64.80 1xb4 n SER 155 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xb4 n GLU 159 N 2.66 2.80 0.06 4.33 4.07 -1.26 -4.20 120.64 129.10 1xb4 n GLU 159 Ca 0.22 -3.41 -0.05 0.00 -0.06 0.00 0.00 57.16 53.86 1xb4 n GLU 159 Cb 0.54 -2.29 0.16 0.00 -0.06 0.00 0.00 31.44 29.78 1xb4 n GLU 159 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1xb4 h THR 160 N 1.23 1.32 -3.13 6.31 2.02 -1.99 -3.43 112.91 115.24 1xb4 h THR 160 Ca 0.58 -1.66 -0.59 0.00 0.77 0.00 0.00 66.41 65.51 1xb4 h THR 160 Cb 0.81 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 1xb4 h THR 160 CO 1.49 0.50 -0.15 0.68 0.37 0.00 0.00 175.52 178.42 1xb4 s VAL 161 N -4.08 4.94 0.00 3.16 -7.23 -1.26 -4.91 120.40 111.02 1xb4 s VAL 161 Ca -0.05 0.87 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1xb4 s VAL 161 Cb 0.13 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1xb4 s VAL 161 CO 0.80 0.47 0.46 -3.20 -0.31 0.00 0.00 175.10 173.32 1xb4 n ASN 162 N 1.48 -0.45 -4.76 4.85 5.15 -1.26 -4.90 115.26 115.38 1xb4 n ASN 162 Ca -0.11 -0.93 -0.23 0.00 -0.60 0.00 0.00 54.58 52.72 1xb4 n ASN 162 Cb 0.52 0.14 0.09 0.00 -0.53 0.00 0.00 39.78 39.99 1xb4 n ASN 162 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1xb4 s TRP 163 N 0.00 1.87 0.40 1.20 0.23 -1.26 -4.90 118.94 116.48 1xb4 s TRP 163 Ca 0.00 -0.22 0.22 0.00 -2.03 0.00 0.00 56.10 54.07 1xb4 s TRP 163 Cb 0.00 -2.92 1.22 0.00 0.03 0.00 0.00 33.47 31.80 1xb4 s TRP 163 CO 0.00 -1.52 1.70 0.93 0.96 0.00 0.00 176.95 179.02 1xb4 h GLU 164 N -0.39 0.26 0.00 4.98 5.08 -2.00 0.69 114.58 123.21 1xb4 h GLU 164 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1xb4 h GLU 164 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xb4 h GLU 164 CO 0.43 0.17 0.00 1.97 -1.00 0.00 0.00 179.01 180.58 1xb4 n PHE 165 N -4.73 0.00 -1.74 4.33 1.16 -1.26 -4.85 117.46 110.37 1xb4 n PHE 165 Ca 0.31 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.47 1xb4 n PHE 165 Cb 1.10 -0.09 -0.00 0.00 -1.61 0.00 0.00 39.48 38.88 1xb4 n PHE 165 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 1xb4 n HIS 166 N -1.09 2.61 -0.98 2.97 -0.00 0.23 -1.84 115.22 117.12 1xb4 n HIS 166 Ca 0.16 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.84 1xb4 n HIS 166 Cb 0.12 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.52 1xb4 n HIS 166 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1xb4 n ARG 167 N 0.43 -0.46 -2.49 1.57 5.12 -1.26 -5.00 116.66 114.57 1xb4 n ARG 167 Ca 0.03 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 1xb4 n ARG 167 Cb 0.38 -3.46 -0.04 0.00 -1.16 0.00 0.00 32.46 28.17 1xb4 n ARG 167 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1xb4 s MET 168 N -0.50 4.58 0.71 5.56 1.75 -0.77 -4.97 119.30 125.66 1xb4 s MET 168 Ca 0.00 1.75 -0.16 0.00 -1.25 0.00 0.00 55.69 56.03 1xb4 s MET 168 Cb 0.00 -3.27 -0.03 0.00 2.84 0.00 0.00 34.83 34.37 1xb4 s MET 168 CO 0.00 0.06 0.60 -2.30 -0.65 0.00 0.00 175.02 172.72 1xb4 n PRO 169 N 2.32 0.34 -0.07 4.11 -0.02 -1.26 -4.75 135.00 135.67 1xb4 n PRO 169 Ca 0.03 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1xb4 n PRO 169 Cb 0.46 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1xb4 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xb4 h GLU 170 N -0.32 0.71 -1.01 -0.52 5.08 -1.93 -0.16 114.58 116.42 1xb4 h GLU 170 Ca -0.46 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 57.51 1xb4 h GLU 170 Cb 1.35 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 1xb4 h GLU 170 CO 0.43 1.07 0.65 0.66 -1.00 0.00 0.00 179.01 180.83 1xb4 h SER 171 N 0.42 1.04 1.09 1.42 4.64 -1.98 0.37 113.55 120.56 1xb4 h SER 171 Ca 0.01 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 1xb4 h SER 171 Cb 1.05 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1xb4 h SER 171 CO 0.10 0.67 -0.92 -0.07 -0.87 0.00 0.00 176.83 175.74 1xb4 h LEU 172 N 1.18 0.00 -0.24 5.97 3.38 -1.91 -3.18 115.31 120.51 1xb4 h LEU 172 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1xb4 h LEU 172 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xb4 h LEU 172 CO -0.17 0.90 0.12 0.25 0.09 0.00 0.00 178.44 179.63 1xb4 h LEU 173 N 0.00 0.31 -0.82 1.67 5.85 0.66 -2.12 115.31 120.85 1xb4 h LEU 173 Ca -0.02 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.80 1xb4 h LEU 173 Cb 1.70 -0.08 -0.13 0.00 0.37 0.00 0.00 40.66 42.51 1xb4 h LEU 173 CO 0.12 0.34 0.16 0.22 -0.34 0.00 0.00 178.44 178.94 1xb4 h TYR 174 N 0.27 0.23 0.00 1.25 3.20 -0.32 0.40 116.97 121.99 1xb4 h TYR 174 Ca 0.08 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1xb4 h TYR 174 Cb 0.10 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1xb4 h TYR 174 CO -0.03 -0.20 -0.10 1.88 -1.64 0.00 0.00 178.16 178.07 1xb4 h TYR 175 N 0.19 0.00 0.00 -3.82 -1.99 -1.41 -1.75 116.97 108.19 1xb4 h TYR 175 Ca 0.49 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 61.01 1xb4 h TYR 175 Cb 0.94 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.64 1xb4 h TYR 175 CO -0.31 0.10 -0.99 0.00 -0.00 0.00 0.00 178.16 176.96 1xb4 h LEU 177 N 0.00 0.42 -1.00 0.00 3.38 -0.79 -3.30 115.31 114.02 1xb4 h LEU 177 Ca -0.01 -0.39 0.27 0.00 0.09 0.00 0.00 57.88 57.84 1xb4 h LEU 177 Cb 1.76 -0.13 -0.19 0.00 0.09 0.00 0.00 40.66 42.20 1xb4 h LEU 177 CO 0.13 1.25 0.01 1.17 0.09 0.00 0.00 178.44 181.09 1xb4 n LYS 178 N -3.61 -0.08 -0.20 1.13 3.00 -0.71 0.24 118.16 117.94 1xb4 n LYS 178 Ca -0.07 1.49 0.19 0.00 -0.00 0.00 0.00 58.31 59.93 1xb4 n LYS 178 Cb 0.93 -2.37 0.55 0.00 0.00 0.00 0.00 35.03 34.14 1xb4 n LYS 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1xb4 h PRO 179 N 0.00 0.32 0.00 1.64 0.11 -1.75 0.49 132.00 132.81 1xb4 h PRO 179 Ca 0.60 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.61 1xb4 h PRO 179 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xb4 h PRO 179 CO -0.94 0.21 -0.40 -0.07 -0.21 0.00 0.00 178.00 176.59 1xb4 h LEU 180 N 0.33 0.00 -0.38 2.35 4.07 0.30 -2.42 115.31 119.56 1xb4 h LEU 180 Ca 0.42 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 58.20 1xb4 h LEU 180 Cb 1.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1xb4 h LEU 180 CO -0.13 0.40 -0.69 0.00 -1.08 0.00 0.00 178.44 176.94 1xb4 s ASP 182 N -6.99 5.97 0.00 0.00 -0.00 -0.60 -2.75 116.67 112.30 1xb4 s ASP 182 Ca -0.07 1.29 0.00 0.00 -0.00 0.00 0.00 52.55 53.77 1xb4 s ASP 182 Cb 0.10 -2.27 0.00 0.00 -0.00 0.00 0.00 42.92 40.75 1xb4 s ASP 182 CO 0.85 -1.01 0.00 0.54 -0.00 0.00 0.00 175.17 175.55 1xb4 n ARG 183 N -2.81 -0.86 -3.54 8.23 1.74 -1.25 -4.08 116.66 114.09 1xb4 n ARG 183 Ca 0.06 0.21 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1xb4 n ARG 183 Cb 0.55 -3.87 -0.06 0.00 -1.02 0.00 0.00 32.46 28.07 1xb4 n ARG 183 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xb4 n ASN 184 N -0.43 0.14 -0.22 0.55 4.13 -1.11 -4.77 115.26 113.54 1xb4 n ASN 184 Ca 0.00 -0.77 0.05 0.00 1.68 0.00 0.00 54.58 55.54 1xb4 n ASN 184 Cb 0.21 -0.97 -0.01 0.00 -1.54 0.00 0.00 39.78 37.48 1xb4 n ASN 184 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1xb4 n ARG 185 N -3.05 2.19 -3.68 3.52 5.12 0.37 -5.03 116.66 116.11 1xb4 n ARG 185 Ca -0.13 -0.56 -0.11 0.00 -1.93 0.00 0.00 57.85 55.13 1xb4 n ARG 185 Cb 0.39 -1.11 -0.05 0.00 -1.16 0.00 0.00 32.46 30.52 1xb4 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xb4 s ALA 186 N -1.54 -0.82 -0.04 7.54 0.00 -0.52 -4.28 121.76 122.09 1xb4 s ALA 186 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1xb4 s ALA 186 Cb 0.09 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1xb4 s ALA 186 CO 0.31 -0.57 -0.12 0.99 0.00 0.00 0.00 175.76 176.36 1xb4 s THR 187 N -3.49 1.06 0.04 0.00 2.01 0.40 -4.22 115.64 111.43 1xb4 s THR 187 Ca 0.01 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1xb4 s THR 187 Cb 0.02 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1xb4 s THR 187 CO -0.10 0.32 0.21 -0.04 -0.69 0.00 0.00 174.62 174.33 1xb4 s MET 188 N 0.29 3.45 -0.16 4.92 -1.94 -1.26 -1.23 119.30 123.37 1xb4 s MET 188 Ca -0.06 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1xb4 s MET 188 Cb -0.11 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.69 1xb4 s MET 188 CO 0.02 0.62 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.94 1xb4 s LEU 189 N -2.32 2.16 0.31 -0.03 1.43 -0.15 -4.98 118.68 115.09 1xb4 s LEU 189 Ca 0.33 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1xb4 s LEU 189 Cb -0.13 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1xb4 s LEU 189 CO 0.25 0.05 0.32 -1.59 0.23 0.00 0.00 176.35 175.60 1xb4 s LYS 190 N 1.01 2.94 0.29 1.70 -2.85 -1.26 -1.20 119.74 120.37 1xb4 s LYS 190 Ca -0.02 -1.12 0.01 0.00 -1.00 0.00 0.00 55.97 53.84 1xb4 s LYS 190 Cb -0.15 -2.62 0.05 0.00 -2.06 0.00 0.00 37.83 33.06 1xb4 s LYS 190 CO -0.06 0.19 0.40 -0.40 0.10 0.00 0.00 175.35 175.58 1xb4 n ASP 191 N -1.40 0.67 -0.35 0.03 3.85 0.05 -4.80 116.55 114.60 1xb4 n ASP 191 Ca -0.04 -1.53 0.25 0.00 -0.71 0.00 0.00 54.79 52.77 1xb4 n ASP 191 Cb 0.59 -0.24 0.53 0.00 -1.35 0.00 0.00 41.12 40.64 1xb4 n ASP 191 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1xb4 h GLU 192 N 0.00 0.33 -2.15 0.11 4.11 -2.01 -0.12 114.58 114.85 1xb4 h GLU 192 Ca -0.13 -0.02 -0.72 0.00 0.07 0.00 0.00 59.36 58.55 1xb4 h GLU 192 Cb 0.52 -0.07 -0.23 0.00 0.50 0.00 0.00 28.75 29.46 1xb4 h GLU 192 CO 0.15 0.22 1.10 0.09 0.07 0.00 0.00 179.01 180.64 1xb4 n ASN 193 N -4.67 7.35 -2.95 3.06 4.13 -1.26 -4.87 115.26 116.04 1xb4 n ASN 193 Ca 0.28 -3.59 -0.04 0.00 1.68 0.00 0.00 54.58 52.91 1xb4 n ASN 193 Cb 0.98 -1.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.05 1xb4 n ASN 193 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1xb4 n ASP 194 N 0.15 -0.03 -4.27 6.41 9.92 -0.06 -4.85 116.55 123.82 1xb4 n ASP 194 Ca 0.52 -0.14 -0.34 0.00 -0.53 0.00 0.00 54.79 54.31 1xb4 n ASP 194 Cb 0.30 -0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.46 1xb4 n ASP 194 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xb4 s LYS 195 N -3.90 3.25 0.14 -1.24 2.20 -1.25 -4.84 119.74 114.10 1xb4 s LYS 195 Ca 0.01 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 1xb4 s LYS 195 Cb -0.01 -2.71 -0.11 0.00 -1.51 0.00 0.00 37.83 33.49 1xb4 s LYS 195 CO 0.11 -0.04 1.81 0.08 -0.36 0.00 0.00 175.35 176.95 1xb4 s VAL 196 N 0.97 2.47 0.00 4.02 1.01 -1.26 -0.77 120.40 126.83 1xb4 s VAL 196 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xb4 s VAL 196 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1xb4 s VAL 196 CO -0.02 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.70 1xb4 n ILE 197 N 4.61 0.00 -4.10 2.22 2.08 -0.34 -4.91 119.36 118.92 1xb4 n ILE 197 Ca 0.17 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.35 1xb4 n ILE 197 Cb 0.38 -0.84 -0.06 0.00 -0.75 0.00 0.00 39.64 38.37 1xb4 n ILE 197 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xb4 s ALA 198 N -1.93 0.68 0.09 -1.39 0.00 -1.02 -0.75 121.76 117.45 1xb4 s ALA 198 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 1xb4 s ALA 198 Cb 0.00 1.21 0.04 0.00 0.00 0.00 0.00 23.12 24.37 1xb4 s ALA 198 CO 0.00 -0.76 0.44 -1.50 0.00 0.00 0.00 175.76 173.94 1xb4 s ILE 199 N -3.55 0.05 -0.06 0.00 2.07 0.30 -0.98 121.20 119.03 1xb4 s ILE 199 Ca 0.31 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1xb4 s ILE 199 Cb 0.01 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.56 1xb4 s ILE 199 CO 0.16 -0.25 -0.05 -1.59 -1.91 0.00 0.00 174.94 171.31 1xb4 s LYS 200 N -3.21 0.94 0.00 3.50 -2.85 -0.36 -1.63 119.74 116.14 1xb4 s LYS 200 Ca -0.01 -0.10 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 1xb4 s LYS 200 Cb 0.01 -1.01 0.03 0.00 -2.06 0.00 0.00 37.83 34.80 1xb4 s LYS 200 CO -0.08 -0.14 0.62 1.33 0.10 0.00 0.00 175.35 177.18