#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n TYR 2 N 0.00 0.00 -2.38 1.24 0.18 -1.26 -4.82 117.16 110.11 1yhu n TYR 2 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 1yhu n TYR 2 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1yhu n TYR 2 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1yhu n VAL 3 N 0.00-11.69 -1.67 -3.48 0.31 -1.26 -4.71 118.33 95.83 1yhu n VAL 3 Ca 0.00 2.50 -0.40 0.00 -0.01 0.00 0.00 64.34 66.42 1yhu n VAL 3 Cb 0.00 -6.06 -0.03 0.00 -0.91 0.00 0.00 33.84 26.84 1yhu n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yhu s GLY 5 N 4.64 1.56 0.37 0.00 0.00 -1.26 -4.74 107.32 107.87 1yhu s GLY 5 Ca 0.56 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.05 1yhu s GLY 5 CO 0.06 0.35 1.93 -0.56 0.00 0.00 0.00 173.10 174.88 1yhu h PRO 6 N -2.15 0.68 -0.21 2.90 0.13 -1.98 -1.55 132.00 129.81 1yhu h PRO 6 Ca -0.57 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.35 1yhu h PRO 6 Cb 1.33 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1yhu h PRO 6 CO 0.55 0.45 -0.51 -0.07 -0.23 0.00 0.00 178.00 178.19 1yhu h LEU 7 N 0.70 0.82 -1.44 1.56 3.38 -1.98 -2.37 115.31 115.99 1yhu h LEU 7 Ca 0.35 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yhu h LEU 7 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1yhu h LEU 7 CO -0.13 1.24 0.29 1.56 0.09 0.00 0.00 178.44 181.48 1yhu h GLN 8 N 0.44 0.66 -0.02 1.13 1.08 -1.74 -1.32 115.11 115.35 1yhu h GLN 8 Ca -0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1yhu h GLN 8 Cb 1.13 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1yhu h GLN 8 CO 0.11 0.47 0.00 0.00 -0.95 0.00 0.00 178.83 178.47 1yhu h ARG 9 N 0.67 0.02 -0.73 1.46 3.08 -1.17 0.96 114.38 118.68 1yhu h ARG 9 Ca 0.18 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.35 1yhu h ARG 9 Cb -0.01 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 1yhu h ARG 9 CO -0.03 0.24 0.30 -0.07 -1.07 0.00 0.00 179.97 179.34 1yhu h LEU 10 N -0.20 0.30 0.45 3.04 3.38 -0.84 0.44 115.31 121.88 1yhu h LEU 10 Ca 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yhu h LEU 10 Cb 0.23 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1yhu h LEU 10 CO 0.00 0.13 -0.22 0.50 0.09 0.00 0.00 178.44 178.95 1yhu h LYS 11 N 0.46 -0.59 -0.80 1.13 1.63 -0.86 -1.07 116.57 116.47 1yhu h LYS 11 Ca 0.39 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.28 1yhu h LYS 11 Cb 0.55 0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 32.26 1yhu h LYS 11 CO -0.37 -0.36 0.50 0.28 -3.45 0.00 0.00 179.45 176.04 1yhu h VAL 12 N -0.66 1.05 -0.18 2.00 2.07 -0.11 0.60 116.25 121.03 1yhu h VAL 12 Ca -0.06 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1yhu h VAL 12 Cb 0.49 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1yhu h VAL 12 CO 0.10 0.17 -0.26 0.11 0.02 0.00 0.00 177.57 177.71 1yhu h LYS 13 N 0.92 -0.29 -0.25 1.57 1.57 0.21 0.44 116.57 120.74 1yhu h LYS 13 Ca 0.34 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1yhu h LYS 13 Cb 0.12 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1yhu h LYS 13 CO -0.15 -0.19 0.09 -0.09 -0.57 0.00 0.00 179.45 178.53 1yhu h ARG 14 N -0.30 0.39 -0.56 3.15 2.43 -0.45 -1.23 114.38 117.81 1yhu h ARG 14 Ca 0.12 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1yhu h ARG 14 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1yhu h ARG 14 CO -0.35 0.45 0.15 1.96 -1.51 0.00 0.00 179.97 180.67 1yhu h GLN 15 N 0.25 0.85 -0.49 0.20 4.20 -0.57 -1.61 115.11 117.95 1yhu h GLN 15 Ca 0.08 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1yhu h GLN 15 Cb 0.22 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1yhu h GLN 15 CO -0.00 0.76 0.31 2.35 -0.67 0.00 0.00 178.83 181.57 1yhu h TRP 16 N 0.82 0.62 -0.56 2.96 2.91 0.05 -1.63 115.95 121.13 1yhu h TRP 16 Ca 0.18 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.32 1yhu h TRP 16 Cb 0.28 -0.21 -0.11 0.00 -0.51 0.00 0.00 29.16 28.62 1yhu h TRP 16 CO 0.02 0.41 -0.18 0.00 -1.03 0.00 0.00 178.44 177.66 1yhu h ALA 17 N 1.16 0.30 -0.60 2.65 0.00 -0.29 0.31 119.26 122.79 1yhu h ALA 17 Ca 0.18 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1yhu h ALA 17 Cb -0.04 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1yhu h ALA 17 CO -0.04 -0.48 0.23 1.49 0.00 0.00 0.00 179.25 180.46 1yhu h GLU 18 N -0.04 0.91 -0.23 0.00 4.81 -0.78 -2.89 114.58 116.36 1yhu h GLU 18 Ca 0.27 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1yhu h GLU 18 Cb 0.45 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1yhu h GLU 18 CO -0.60 0.78 -0.19 0.00 -0.73 0.00 0.00 179.01 178.27 1yhu h ALA 19 N 1.08 0.33 0.00 2.92 0.00 -0.29 -2.35 119.26 120.96 1yhu h ALA 19 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yhu h ALA 19 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yhu h ALA 19 CO -0.01 0.26 0.00 0.98 0.00 0.00 0.00 179.25 180.48 1yhu n TYR 20 N -4.42 0.00 0.00 0.00 9.36 0.96 -4.91 117.16 118.15 1yhu n TYR 20 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1yhu n TYR 20 Cb 0.40 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 1yhu n TYR 20 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1yhu n GLY 21 N 0.17 0.59 0.12 2.98 0.00 -0.89 -4.26 105.19 103.90 1yhu n GLY 21 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 1yhu n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yhu n SER 22 N -2.13 1.73 0.00 1.61 7.64 -1.26 -4.84 113.62 116.37 1yhu n SER 22 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1yhu n SER 22 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1yhu n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yhu n GLY 23 N 1.91 -0.34 0.32 0.23 0.00 -1.26 -5.08 105.19 100.97 1yhu n GLY 23 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1yhu n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yhu n ASN 24 N 0.00 0.00 0.00 1.61 4.05 -1.26 -4.71 115.26 114.95 1yhu n ASN 24 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1yhu n ASN 24 Cb 0.00 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 40.87 1yhu n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yhu n SER 25 N -1.99 0.00 0.25 1.20 3.41 -1.26 -2.78 113.62 112.45 1yhu n SER 25 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1yhu n SER 25 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 1yhu n SER 25 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1yhu h ARG 26 N 0.00 0.00 -0.08 4.33 3.08 -1.89 0.86 114.38 120.68 1yhu h ARG 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1yhu h ARG 26 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1yhu h ARG 26 CO 0.00 0.12 0.02 1.49 -1.07 0.00 0.00 179.97 180.53 1yhu h GLU 27 N 0.00 0.13 -0.18 0.04 4.81 -1.90 0.76 114.58 118.24 1yhu h GLU 27 Ca -0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1yhu h GLU 27 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1yhu h GLU 27 CO 0.02 0.33 -0.44 1.49 -0.73 0.00 0.00 179.01 179.68 1yhu h GLU 28 N -0.09 0.45 -0.54 1.92 4.81 -1.67 0.55 114.58 120.01 1yhu h GLU 28 Ca 0.03 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1yhu h GLU 28 Cb 0.26 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1yhu h GLU 28 CO 0.00 0.80 0.21 0.35 -0.73 0.00 0.00 179.01 179.64 1yhu h PHE 29 N 0.37 0.82 0.12 0.92 3.57 -0.68 0.78 116.94 122.84 1yhu h PHE 29 Ca 0.03 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1yhu h PHE 29 Cb 0.92 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1yhu h PHE 29 CO 0.03 0.68 -0.06 0.78 -2.23 0.00 0.00 178.31 177.51 1yhu h GLY 30 N 0.73 -0.16 -0.00 2.40 0.00 -0.60 -2.77 103.07 102.67 1yhu h GLY 30 Ca 0.18 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.65 1yhu h GLY 30 CO -0.01 -0.06 -0.24 0.84 0.00 0.00 0.00 176.54 177.06 1yhu h HIS 31 N -0.45 -0.64 -0.06 5.60 -0.00 -0.66 -1.76 115.15 117.18 1yhu h HIS 31 Ca -0.02 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 1yhu h HIS 31 Cb 0.37 0.34 -0.06 0.00 -0.00 0.00 0.00 27.41 28.05 1yhu h HIS 31 CO 0.02 -0.32 -0.50 0.35 -0.00 0.00 0.00 177.93 177.48 1yhu h PHE 32 N -0.19 -1.47 0.00 5.26 3.57 -0.81 0.28 116.94 123.58 1yhu h PHE 32 Ca 0.18 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1yhu h PHE 32 Cb 0.47 0.65 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1yhu h PHE 32 CO -0.45 -0.54 0.00 -0.89 -2.23 0.00 0.00 178.31 174.20 1yhu n ILE 33 N -5.45 0.00 -0.28 1.41 5.41 -0.87 -0.64 119.36 118.93 1yhu n ILE 33 Ca -0.06 1.33 0.21 0.00 1.00 0.00 0.00 62.75 65.23 1yhu n ILE 33 Cb 0.39 -2.04 0.51 0.00 -0.71 0.00 0.00 39.64 37.79 1yhu n ILE 33 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1yhu h TRP 34 N 0.00 0.58 0.25 1.39 4.06 -1.31 0.25 115.95 121.18 1yhu h TRP 34 Ca 0.00 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1yhu h TRP 34 Cb 0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1yhu h TRP 34 CO -0.29 0.11 -0.14 1.03 -3.56 0.00 0.00 178.44 175.59 1yhu h SER 35 N 0.40 -0.34 -0.75 -3.49 0.87 0.00 -2.11 113.55 108.13 1yhu h SER 35 Ca 0.53 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.14 1yhu h SER 35 Cb 1.35 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.36 1yhu h SER 35 CO -0.22 -0.23 0.47 -0.74 -0.53 0.00 0.00 176.83 175.58 1yhu h HIS 36 N -0.36 0.89 -0.39 2.24 -0.00 0.18 -1.74 115.15 115.96 1yhu h HIS 36 Ca -0.03 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1yhu h HIS 36 Cb 0.29 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 1yhu h HIS 36 CO -0.08 0.51 -0.01 0.28 -0.00 0.00 0.00 177.93 178.63 1yhu h VAL 37 N 0.92 0.69 0.00 5.26 2.07 -0.42 -1.39 116.25 123.38 1yhu h VAL 37 Ca 0.30 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1yhu h VAL 37 Cb 0.02 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1yhu h VAL 37 CO -0.11 0.02 -0.00 -0.26 0.02 0.00 0.00 177.57 177.23 1yhu h PHE 38 N 0.09 0.00 -0.19 1.57 0.05 -1.03 -0.24 116.94 117.18 1yhu h PHE 38 Ca 0.19 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.86 1yhu h PHE 38 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1yhu h PHE 38 CO -0.28 0.00 -0.39 1.96 -0.18 0.00 0.00 178.31 179.42 1yhu h GLN 39 N 0.00 0.43 0.00 1.51 4.20 -0.37 -1.99 115.11 118.89 1yhu h GLN 39 Ca -0.00 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1yhu h GLN 39 Cb 0.75 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1yhu h GLN 39 CO 0.00 0.76 -0.10 0.45 -0.67 0.00 0.00 178.83 179.26 1yhu h HIS 40 N 0.36 0.00 -2.98 2.96 3.86 -1.12 -3.41 115.15 114.82 1yhu h HIS 40 Ca 0.03 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.59 1yhu h HIS 40 Cb 0.85 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.93 1yhu h HIS 40 CO 0.03 0.66 -0.35 0.43 0.86 0.00 0.00 177.93 179.56 1yhu n SER 41 N -4.66 3.74 -0.01 2.45 7.64 -0.13 -4.92 113.62 117.74 1yhu n SER 41 Ca -0.08 -3.24 0.22 0.00 1.01 0.00 0.00 58.87 56.78 1yhu n SER 41 Cb 0.32 -0.87 0.72 0.00 -1.01 0.00 0.00 64.21 63.37 1yhu n SER 41 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1yhu h PRO 42 N 5.35 0.00 -0.60 1.43 0.13 -1.61 -0.52 132.00 136.18 1yhu h PRO 42 Ca 0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 1yhu h PRO 42 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1yhu h PRO 42 CO 0.82 0.00 0.03 0.00 -0.23 0.00 0.00 178.00 178.62 1yhu h ALA 43 N 1.63 0.92 -1.27 -0.56 0.00 -1.91 -3.04 119.26 115.03 1yhu h ALA 43 Ca 0.27 -0.29 0.37 0.00 0.00 0.00 0.00 54.91 55.26 1yhu h ALA 43 Cb 1.18 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1yhu h ALA 43 CO -0.00 0.65 0.94 0.00 0.00 0.00 0.00 179.25 180.83 1yhu h ALA 44 N 1.08 3.19 -0.97 0.00 0.00 -1.47 -0.14 119.26 120.96 1yhu h ALA 44 Ca 0.18 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.27 1yhu h ALA 44 Cb 0.50 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1yhu h ALA 44 CO 0.02 -1.59 0.64 0.00 0.00 0.00 0.00 179.25 178.32 1yhu h ARG 45 N 0.00 0.38 -0.06 0.00 3.08 -1.69 -0.87 114.38 115.22 1yhu h ARG 45 Ca 0.60 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.65 1yhu h ARG 45 Cb 2.47 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 32.43 1yhu h ARG 45 CO -0.01 0.25 0.17 -0.44 -1.07 0.00 0.00 179.97 178.88 1yhu h ASP 46 N 0.39 0.00 1.86 7.04 3.45 -1.25 -0.56 116.42 127.35 1yhu h ASP 46 Ca 0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.98 1yhu h ASP 46 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1yhu h ASP 46 CO -0.22 0.00 0.00 0.24 -1.57 0.00 0.00 179.24 177.69 1yhu h MET 47 N 0.00 0.00 -0.80 3.56 2.86 -1.37 -3.29 114.93 115.90 1yhu h MET 47 Ca 0.03 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.22 1yhu h MET 47 Cb 0.37 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.77 1yhu h MET 47 CO -0.00 0.00 0.39 1.19 1.06 0.00 0.00 176.91 179.55 1yhu n PHE 48 N -3.04 2.51 0.22 -0.22 3.01 -0.22 -4.65 117.46 115.06 1yhu n PHE 48 Ca 0.04 -2.02 0.15 0.00 1.01 0.00 0.00 57.45 56.63 1yhu n PHE 48 Cb 0.50 -0.87 0.80 0.00 -0.01 0.00 0.00 39.48 39.90 1yhu n PHE 48 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1yhu h LYS 49 N 1.25 0.00 0.00 -1.08 1.57 -1.67 -0.29 116.57 116.35 1yhu h LYS 49 Ca 0.50 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1yhu h LYS 49 Cb 2.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.37 1yhu h LYS 49 CO 0.97 0.00 -0.62 -0.09 -0.57 0.00 0.00 179.45 179.14 1yhu h ARG 50 N 0.00 0.00 -0.98 3.15 2.43 -1.92 -3.32 114.38 113.75 1yhu h ARG 50 Ca 0.07 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.65 1yhu h ARG 50 Cb 0.33 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.48 1yhu h ARG 50 CO -0.00 0.62 -0.44 1.33 -1.51 0.00 0.00 179.97 179.96 1yhu n VAL 51 N -3.58 2.73 -3.98 0.20 0.24 -0.59 -4.95 118.33 108.41 1yhu n VAL 51 Ca -0.00 -4.14 -0.31 0.00 -2.04 0.00 0.00 64.34 57.85 1yhu n VAL 51 Cb 0.66 -1.17 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 1yhu n VAL 51 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yhu n ARG 52 N -0.70 -4.91 0.00 7.34 5.12 -1.19 -3.31 116.66 119.02 1yhu n ARG 52 Ca 0.47 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1yhu n ARG 52 Cb 0.83 -5.36 0.00 0.00 -1.16 0.00 0.00 32.46 26.77 1yhu n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yhu n GLY 53 N -1.63 -0.26 0.09 -0.13 0.00 -0.22 -0.29 105.19 102.74 1yhu n GLY 53 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1yhu n GLY 53 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1yhu h ASP 54 N 0.00 0.00 -2.94 1.61 2.03 -1.84 -3.42 116.42 111.86 1yhu h ASP 54 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1yhu h ASP 54 Cb 0.11 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.21 1yhu h ASP 54 CO 0.00 0.81 -0.78 0.21 -1.03 0.00 0.00 179.24 178.45 1yhu s ASN 55 N -6.40 3.59 0.06 4.15 3.04 0.60 -4.97 114.94 115.01 1yhu s ASN 55 Ca 0.00 -1.73 0.14 0.00 0.04 0.00 0.00 52.86 51.32 1yhu s ASN 55 Cb 0.09 -0.59 0.62 0.00 -1.54 0.00 0.00 41.25 39.82 1yhu s ASN 55 CO 0.80 -0.39 1.45 2.30 -3.04 0.00 0.00 177.10 178.22 1yhu n ILE 56 N 4.69 1.13 -1.16 -5.21 -5.35 -1.25 -3.02 119.36 109.18 1yhu n ILE 56 Ca 0.01 0.31 -0.18 0.00 -0.27 0.00 0.00 62.75 62.61 1yhu n ILE 56 Cb 0.40 -1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 37.07 1yhu n ILE 56 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1yhu n HIS 57 N -1.68 0.87 -4.23 4.28 8.25 -1.26 -4.10 115.22 117.35 1yhu n HIS 57 Ca 0.02 -1.70 -0.18 0.00 -0.26 0.00 0.00 57.72 55.60 1yhu n HIS 57 Cb 0.15 -1.34 -0.15 0.00 1.12 0.00 0.00 29.99 29.77 1yhu n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yhu s THR 58 N -0.87 0.55 0.32 1.59 2.01 -1.17 -5.02 115.64 113.05 1yhu s THR 58 Ca 0.54 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.38 1yhu s THR 58 Cb 0.31 -0.49 0.31 0.00 0.01 0.00 0.00 72.50 72.64 1yhu s THR 58 CO -0.10 0.18 1.71 1.55 -0.69 0.00 0.00 174.62 177.27 1yhu h PRO 59 N 6.34 0.48 0.15 4.92 0.13 -1.92 0.72 132.00 142.82 1yhu h PRO 59 Ca -0.32 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1yhu h PRO 59 Cb 1.18 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1yhu h PRO 59 CO 0.49 0.32 -0.28 0.00 -0.23 0.00 0.00 178.00 178.29 1yhu h ALA 60 N 1.75 -0.50 -0.26 -0.56 0.00 -1.94 0.51 119.26 118.25 1yhu h ALA 60 Ca 0.64 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.40 1yhu h ALA 60 Cb 1.27 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1yhu h ALA 60 CO -0.51 -0.83 -0.21 0.35 0.00 0.00 0.00 179.25 178.04 1yhu h PHE 61 N -0.52 0.72 -0.89 0.00 3.57 -0.81 -2.20 116.94 116.81 1yhu h PHE 61 Ca 0.02 -0.20 0.16 0.00 3.53 0.00 0.00 57.97 61.47 1yhu h PHE 61 Cb 0.53 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.02 1yhu h PHE 61 CO -0.24 0.90 0.49 0.00 -2.23 0.00 0.00 178.31 177.23 1yhu h ARG 62 N 0.33 0.65 -0.73 1.11 3.08 0.49 0.66 114.38 119.96 1yhu h ARG 62 Ca 0.05 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1yhu h ARG 62 Cb 0.76 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1yhu h ARG 62 CO 0.06 0.43 0.28 0.00 -1.07 0.00 0.00 179.97 179.67 1yhu h ALA 63 N 1.58 1.11 0.75 0.04 0.00 -0.68 -0.70 119.26 121.36 1yhu h ALA 63 Ca 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1yhu h ALA 63 Cb 0.71 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1yhu h ALA 63 CO -0.37 0.63 -0.36 1.25 0.00 0.00 0.00 179.25 180.40 1yhu h HIS 64 N 1.07 -0.93 -1.01 0.00 -0.00 0.82 -2.10 115.15 113.00 1yhu h HIS 64 Ca 0.24 -0.02 0.23 0.00 -0.00 0.00 0.00 60.37 60.82 1yhu h HIS 64 Cb 0.22 0.31 -0.10 0.00 -0.00 0.00 0.00 27.41 27.84 1yhu h HIS 64 CO 0.02 -0.57 0.62 0.00 -0.00 0.00 0.00 177.93 178.00 1yhu h ALA 65 N -0.79 1.90 -0.39 5.26 0.00 -0.62 0.29 119.26 124.91 1yhu h ALA 65 Ca -0.10 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1yhu h ALA 65 Cb 0.78 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1yhu h ALA 65 CO 0.17 -0.31 0.09 1.15 0.00 0.00 0.00 179.25 180.35 1yhu h THR 66 N 0.58 0.81 -0.64 0.00 2.02 -0.58 -0.15 112.91 114.96 1yhu h THR 66 Ca 0.59 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.69 1yhu h THR 66 Cb 1.18 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1yhu h THR 66 CO -0.37 0.04 0.36 0.03 0.37 0.00 0.00 175.52 175.95 1yhu h ARG 67 N 0.22 0.89 0.68 6.66 3.08 0.18 -1.29 114.38 124.79 1yhu h ARG 67 Ca 0.18 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1yhu h ARG 67 Cb 0.21 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1yhu h ARG 67 CO -0.23 0.66 -0.33 0.28 -1.07 0.00 0.00 179.97 179.28 1yhu h VAL 68 N 0.87 0.00 -0.81 2.04 2.07 -0.44 0.11 116.25 120.09 1yhu h VAL 68 Ca 0.23 -0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.90 1yhu h VAL 68 Cb 0.03 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.74 1yhu h VAL 68 CO -0.04 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.02 1yhu h LEU 69 N -0.92 0.45 -0.28 2.57 4.07 -1.10 0.10 115.31 120.20 1yhu h LEU 69 Ca -0.09 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1yhu h LEU 69 Cb 0.70 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1yhu h LEU 69 CO 0.15 0.22 0.15 1.23 -1.08 0.00 0.00 178.44 179.11 1yhu h GLY 70 N 0.47 0.43 0.90 0.83 0.00 -0.80 0.28 103.07 105.18 1yhu h GLY 70 Ca 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1yhu h GLY 70 CO -0.15 0.19 -0.08 -1.33 0.00 0.00 0.00 176.54 175.17 1yhu h GLY 71 N 0.33 -0.17 -0.04 4.60 0.00 0.13 -1.89 103.07 106.03 1yhu h GLY 71 Ca 0.10 0.09 0.18 0.00 0.00 0.00 0.00 47.33 47.70 1yhu h GLY 71 CO -0.01 -0.09 0.34 -2.00 0.00 0.00 0.00 176.54 174.78 1yhu h LEU 72 N -0.19 0.30 -0.48 3.11 5.85 -0.40 0.70 115.31 124.19 1yhu h LEU 72 Ca 0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1yhu h LEU 72 Cb 0.18 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1yhu h LEU 72 CO -0.02 0.05 0.30 -0.78 -0.34 0.00 0.00 178.44 177.65 1yhu h ASP 73 N 0.43 0.50 0.23 1.25 1.82 0.22 -0.74 116.42 120.12 1yhu h ASP 73 Ca 0.49 -0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.13 1yhu h ASP 73 Cb 0.84 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 1yhu h ASP 73 CO -0.47 0.36 -0.25 0.24 -1.61 0.00 0.00 179.24 177.51 1yhu h MET 74 N 0.61 -0.50 -0.24 0.28 2.86 -0.13 0.19 114.93 118.00 1yhu h MET 74 Ca 0.19 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 1yhu h MET 74 Cb -0.02 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1yhu h MET 74 CO -0.07 -0.33 -0.14 0.00 1.06 0.00 0.00 176.91 177.43 1yhu h ILE 76 N -0.13 1.18 0.00 0.00 2.04 -0.84 0.25 117.51 120.01 1yhu h ILE 76 Ca 0.13 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1yhu h ILE 76 Cb 0.32 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1yhu h ILE 76 CO -0.32 0.17 -0.52 0.00 0.00 0.00 0.00 178.15 177.48 1yhu h ALA 77 N 1.57 1.03 -0.00 1.87 0.00 0.11 -2.78 119.26 121.06 1yhu h ALA 77 Ca 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yhu h ALA 77 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1yhu h ALA 77 CO -0.05 0.65 -0.31 1.28 0.00 0.00 0.00 179.25 180.82 1yhu n LEU 78 N -3.76 0.42 -0.52 0.00 7.99 0.16 -4.37 117.00 116.92 1yhu n LEU 78 Ca -0.01 0.10 0.43 0.00 -0.01 0.00 0.00 56.01 56.51 1yhu n LEU 78 Cb 0.56 -0.29 0.73 0.00 -0.11 0.00 0.00 43.42 44.31 1yhu n LEU 78 CO 0.40 0.10 1.36 -0.07 -1.51 0.00 0.00 177.39 177.66 1yhu h LEU 79 N 0.17 0.11 0.00 2.23 3.38 -0.72 0.37 115.31 120.85 1yhu h LEU 79 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yhu h LEU 79 Cb 0.48 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1yhu h LEU 79 CO 0.00 -0.06 -0.33 -2.24 0.09 0.00 0.00 178.44 175.90 1yhu h ASP 80 N 0.05 0.00 -3.01 -0.43 3.04 -1.82 -3.39 116.42 110.85 1yhu h ASP 80 Ca 0.81 -0.11 -0.70 0.00 -3.24 0.00 0.00 57.03 53.79 1yhu h ASP 80 Cb 2.94 0.00 -0.36 0.00 -1.04 0.00 0.00 39.33 40.87 1yhu h ASP 80 CO -0.17 0.05 -0.08 -0.67 -2.04 0.00 0.00 179.24 176.34 1yhu n ASP 81 N -2.22 4.41 -0.37 4.15 -0.08 0.13 -4.97 116.55 117.60 1yhu n ASP 81 Ca 0.04 -3.25 -0.06 0.00 -1.51 0.00 0.00 54.79 50.02 1yhu n ASP 81 Cb 0.44 -0.99 -0.04 0.00 2.34 0.00 0.00 41.12 42.87 1yhu n ASP 81 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1yhu n GLU 82 N 1.83 -0.32 0.09 -0.67 4.07 -1.26 -0.52 120.64 123.86 1yhu n GLU 82 Ca 0.24 1.38 -0.15 0.00 -0.06 0.00 0.00 57.16 58.57 1yhu n GLU 82 Cb 0.37 -2.04 -0.09 0.00 -0.06 0.00 0.00 31.44 29.62 1yhu n GLU 82 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1yhu h PRO 83 N 0.00 -0.66 -0.31 5.31 0.13 -1.93 -1.65 132.00 132.89 1yhu h PRO 83 Ca 0.22 0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.34 1yhu h PRO 83 Cb 0.44 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1yhu h PRO 83 CO -0.88 -0.44 -0.04 0.28 -0.23 0.00 0.00 178.00 176.70 1yhu h VAL 84 N -0.68 1.20 -0.01 1.56 2.07 -1.79 -2.74 116.25 115.85 1yhu h VAL 84 Ca 0.02 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1yhu h VAL 84 Cb 0.72 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1yhu h VAL 84 CO -0.30 0.28 -0.12 0.25 0.02 0.00 0.00 177.57 177.70 1yhu h LEU 85 N 0.47 -0.35 -1.40 2.57 5.85 -0.29 -1.63 115.31 120.53 1yhu h LEU 85 Ca 0.10 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1yhu h LEU 85 Cb 0.36 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1yhu h LEU 85 CO 0.01 -0.17 -0.21 0.78 -0.34 0.00 0.00 178.44 178.52 1yhu h ASN 86 N -0.20 0.13 -0.67 1.25 4.21 -1.15 0.35 115.58 119.50 1yhu h ASN 86 Ca 0.05 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1yhu h ASN 86 Cb 0.26 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1yhu h ASN 86 CO -0.13 0.35 0.39 0.74 -1.29 0.00 0.00 177.43 177.49 1yhu h THR 87 N 0.12 1.20 -0.05 2.81 2.02 -1.14 0.20 112.91 118.07 1yhu h THR 87 Ca 0.02 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1yhu h THR 87 Cb 0.45 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1yhu h THR 87 CO 0.03 0.21 -0.09 -0.61 0.37 0.00 0.00 175.52 175.43 1yhu h GLN 88 N 0.91 0.15 -0.96 6.66 -0.00 -0.48 -2.45 115.11 118.95 1yhu h GLN 88 Ca 0.24 -0.09 0.17 0.00 -0.00 0.00 0.00 58.65 58.96 1yhu h GLN 88 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.41 1yhu h GLN 88 CO -0.04 0.67 0.61 -0.07 0.00 0.00 0.00 178.83 180.00 1yhu h LEU 89 N -0.35 0.71 -0.12 -2.39 3.38 -0.10 0.10 115.31 116.54 1yhu h LEU 89 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 89 Cb 0.66 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1yhu h LEU 89 CO 0.02 0.31 0.07 0.00 0.09 0.00 0.00 178.44 178.93 1yhu h ALA 90 N 1.61 0.15 -0.43 1.53 0.00 -0.44 0.54 119.26 122.22 1yhu h ALA 90 Ca 0.52 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1yhu h ALA 90 Cb 0.84 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1yhu h ALA 90 CO -0.28 -0.34 0.11 1.25 0.00 0.00 0.00 179.25 179.98 1yhu h HIS 91 N 0.13 0.18 -0.93 0.00 -0.00 -0.40 -1.09 115.15 113.03 1yhu h HIS 91 Ca 0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1yhu h HIS 91 Cb 0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1yhu h HIS 91 CO -0.06 0.04 0.54 -0.07 -0.00 0.00 0.00 177.93 178.38 1yhu h LEU 92 N 0.25 1.14 -0.17 0.26 3.38 -0.65 -1.84 115.31 117.68 1yhu h LEU 92 Ca 0.21 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1yhu h LEU 92 Cb 0.24 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1yhu h LEU 92 CO -0.25 0.89 -0.04 0.00 0.09 0.00 0.00 178.44 179.13 1yhu h ALA 93 N 1.30 0.12 0.00 1.53 0.00 0.29 -1.36 119.26 121.13 1yhu h ALA 93 Ca 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1yhu h ALA 93 Cb -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yhu h ALA 93 CO -0.06 -0.47 -0.06 0.87 0.00 0.00 0.00 179.25 179.53 1yhu h LYS 94 N 0.01 0.00 0.00 0.00 1.57 -0.82 0.85 116.57 118.19 1yhu h LYS 94 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1yhu h LYS 94 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1yhu h LYS 94 CO -0.17 0.06 0.00 1.96 -0.57 0.00 0.00 179.45 180.73 1yhu h GLN 95 N 0.00 0.00 0.00 3.15 4.20 -0.43 -3.13 115.11 118.90 1yhu h GLN 95 Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1yhu h GLN 95 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1yhu h GLN 95 CO 0.01 0.00 -1.78 0.72 -0.67 0.00 0.00 178.83 177.11 1yhu n HIS 96 N -2.54 0.00 0.00 2.96 8.25 0.01 -4.86 115.22 119.04 1yhu n HIS 96 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1yhu n HIS 96 Cb 0.28 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1yhu n HIS 96 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1yhu n GLU 97 N -2.23 0.00 0.45 -0.41 2.13 0.08 -1.11 120.64 119.56 1yhu n GLU 97 Ca -0.11 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.52 1yhu n GLU 97 Cb 0.63 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.25 1yhu n GLU 97 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1yhu h THR 98 N 0.00 0.00 -0.84 6.31 2.02 -1.89 -3.45 112.91 115.06 1yhu h THR 98 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.60 1yhu h THR 98 Cb 0.00 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 66.50 1yhu h THR 98 CO 0.00 0.00 -0.39 0.54 0.37 0.00 0.00 175.52 176.04 1yhu n ARG 99 N -5.24 0.00 -1.74 6.66 1.74 -0.27 -4.80 116.66 113.01 1yhu n ARG 99 Ca -0.15 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.57 1yhu n ARG 99 Cb 0.47 -0.89 -0.02 0.00 -1.02 0.00 0.00 32.46 31.00 1yhu n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhu n GLY 100 N 1.64 4.81 3.62 -0.13 0.00 -1.26 -4.95 105.19 108.91 1yhu n GLY 100 Ca 0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1yhu n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhu s VAL 101 N -0.49 4.04 0.66 1.61 -7.23 -1.26 -5.01 120.40 112.72 1yhu s VAL 101 Ca 0.59 1.14 -0.10 0.00 -1.81 0.00 0.00 61.98 61.79 1yhu s VAL 101 Cb 0.21 -4.14 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 1yhu s VAL 101 CO -0.10 -0.55 1.04 -1.61 -0.31 0.00 0.00 175.10 173.56 1yhu s GLU 102 N 4.44 3.05 0.16 4.82 0.41 -1.26 -4.96 118.70 125.37 1yhu s GLU 102 Ca 0.59 0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 55.42 1yhu s GLU 102 Cb -0.16 -2.09 0.05 0.00 -1.78 0.00 0.00 34.13 30.14 1yhu s GLU 102 CO 0.26 -0.84 1.81 0.00 -0.49 0.00 0.00 175.26 176.01 1yhu h ALA 103 N -0.46 0.57 -0.19 5.21 0.00 -2.01 -1.83 119.26 120.55 1yhu h ALA 103 Ca -0.45 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1yhu h ALA 103 Cb 1.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1yhu h ALA 103 CO 0.63 -0.02 0.18 0.00 0.00 0.00 0.00 179.25 180.04 1yhu h ALA 104 N 1.18 1.90 -0.33 0.00 0.00 -1.99 -1.07 119.26 118.95 1yhu h ALA 104 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1yhu h ALA 104 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yhu h ALA 104 CO -0.06 -0.28 -0.02 0.45 0.00 0.00 0.00 179.25 179.34 1yhu h HIS 105 N 0.00 0.65 -0.35 0.00 3.86 -1.70 -1.92 115.15 115.69 1yhu h HIS 105 Ca 0.09 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1yhu h HIS 105 Cb 0.45 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1yhu h HIS 105 CO 0.00 0.73 -0.18 1.88 0.86 0.00 0.00 177.93 181.22 1yhu h TYR 106 N 0.39 0.72 -0.37 2.45 -1.99 -1.17 -1.75 116.97 115.25 1yhu h TYR 106 Ca 0.09 -0.14 0.04 0.00 2.00 0.00 0.00 58.73 60.71 1yhu h TYR 106 Cb 0.49 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 39.00 1yhu h TYR 106 CO 0.04 0.79 0.15 -0.44 -0.00 0.00 0.00 178.16 178.70 1yhu h ASP 107 N 0.58 0.20 0.90 3.88 3.45 -1.17 0.21 116.42 124.46 1yhu h ASP 107 Ca 0.09 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 1yhu h ASP 107 Cb 0.64 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1yhu h ASP 107 CO 0.04 0.15 -0.49 0.74 -1.57 0.00 0.00 179.24 178.12 1yhu h THR 108 N 0.32 0.00 -0.67 0.35 2.02 -0.94 0.22 112.91 114.21 1yhu h THR 108 Ca 0.16 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.47 1yhu h THR 108 Cb 0.11 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 1yhu h THR 108 CO -0.14 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.52 1yhu h VAL 109 N -1.28 0.62 0.01 3.16 2.07 -1.17 0.24 116.25 119.90 1yhu h VAL 109 Ca -0.12 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1yhu h VAL 109 Cb 1.00 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1yhu h VAL 109 CO 0.16 0.06 -0.15 0.78 0.02 0.00 0.00 177.57 178.44 1yhu h ASN 110 N 0.32 -0.43 -0.15 0.57 -0.26 -0.37 0.89 115.58 116.15 1yhu h ASN 110 Ca 0.36 0.06 0.05 0.00 -0.56 0.00 0.00 56.30 56.21 1yhu h ASN 110 Cb 0.56 0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 37.94 1yhu h ASN 110 CO -0.42 -0.21 -0.25 -0.74 -1.06 0.00 0.00 177.43 174.75 1yhu h HIS 111 N -0.25 -0.67 -0.32 1.19 2.76 0.36 -1.46 115.15 116.76 1yhu h HIS 111 Ca 0.05 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1yhu h HIS 111 Cb 0.31 0.32 -0.07 0.00 1.55 0.00 0.00 27.41 29.52 1yhu h HIS 111 CO -0.20 -0.33 -0.16 0.00 -1.30 0.00 0.00 177.93 175.94 1yhu h ALA 112 N 0.65 0.09 -0.73 5.26 0.00 -0.05 0.45 119.26 124.93 1yhu h ALA 112 Ca 0.11 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1yhu h ALA 112 Cb 0.47 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1yhu h ALA 112 CO -0.32 -0.54 0.39 0.28 0.00 0.00 0.00 179.25 179.05 1yhu h VAL 113 N -0.11 0.89 -0.54 0.00 2.07 -0.37 0.30 116.25 118.50 1yhu h VAL 113 Ca 0.16 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1yhu h VAL 113 Cb 0.36 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1yhu h VAL 113 CO -0.39 0.12 0.20 0.24 0.02 0.00 0.00 177.57 177.76 1yhu h MET 114 N 0.67 0.81 -0.35 1.57 2.86 -0.14 0.18 114.93 120.53 1yhu h MET 114 Ca 0.35 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1yhu h MET 114 Cb 0.33 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1yhu h MET 114 CO -0.24 0.72 0.06 0.52 1.06 0.00 0.00 176.91 179.02 1yhu h MET 115 N 0.73 0.17 -0.20 1.72 2.86 0.41 0.29 114.93 120.91 1yhu h MET 115 Ca 0.18 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1yhu h MET 115 Cb 0.22 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1yhu h MET 115 CO -0.01 0.11 -0.05 0.78 1.06 0.00 0.00 176.91 178.80 1yhu h GLY 116 N 0.17 0.14 0.99 8.32 0.00 0.28 0.26 103.07 113.23 1yhu h GLY 116 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1yhu h GLY 116 CO -0.24 -0.08 0.03 -2.08 0.00 0.00 0.00 176.54 174.18 1yhu h VAL 117 N -0.00 1.01 -0.45 4.60 2.07 0.13 -2.63 116.25 120.97 1yhu h VAL 117 Ca 0.10 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1yhu h VAL 117 Cb 0.15 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1yhu h VAL 117 CO -0.20 0.01 0.24 -0.08 0.02 0.00 0.00 177.57 177.56 1yhu h GLU 118 N 0.06 0.47 -0.91 1.57 4.81 -0.08 -0.82 114.58 119.68 1yhu h GLU 118 Ca 0.02 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.44 1yhu h GLU 118 Cb -0.00 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.15 1yhu h GLU 118 CO -0.01 0.31 0.43 -0.97 -0.73 0.00 0.00 179.01 178.05 1yhu h ASN 119 N 0.49 0.41 0.00 1.04 -0.00 -0.17 0.47 115.58 117.81 1yhu h ASN 119 Ca 0.19 0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.63 1yhu h ASN 119 Cb 0.06 0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.49 1yhu h ASN 119 CO -0.11 0.03 -0.05 0.58 -0.00 0.00 0.00 177.43 177.88 1yhu h VAL 120 N 0.44 1.65 0.00 2.57 2.07 -1.05 -3.38 116.25 118.55 1yhu h VAL 120 Ca 0.57 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1yhu h VAL 120 Cb 1.08 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1yhu h VAL 120 CO -0.51 0.56 -0.32 2.30 0.02 0.00 0.00 177.57 179.62 1yhu n ILE 121 N -4.61 0.03 0.00 4.57 -5.35 -0.37 -5.04 119.36 108.59 1yhu n ILE 121 Ca -0.10 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1yhu n ILE 121 Cb 0.46 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1yhu n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yhu n GLY 122 N 1.49 0.40 0.23 3.28 0.00 0.16 -4.64 105.19 106.11 1yhu n GLY 122 Ca 0.06 -1.54 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1yhu n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yhu h SER 123 N 0.00 0.33 -0.44 1.61 4.64 -1.94 -3.16 113.55 114.58 1yhu h SER 123 Ca 0.00 -0.10 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1yhu h SER 123 Cb 0.00 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 61.91 1yhu h SER 123 CO 0.00 0.59 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.70 1yhu h GLU 124 N 0.30 -0.34 -4.68 4.77 3.07 -1.96 -3.33 114.58 112.41 1yhu h GLU 124 Ca 0.05 0.02 -0.68 0.00 -0.50 0.00 0.00 59.36 58.25 1yhu h GLU 124 Cb 0.60 0.08 -0.34 0.00 -0.84 0.00 0.00 28.75 28.25 1yhu h GLU 124 CO 0.04 -0.23 -0.66 0.54 -1.40 0.00 0.00 179.01 177.30 1yhu s VAL 125 N -5.71 2.95 -0.37 3.13 0.11 -1.19 -4.99 120.40 114.32 1yhu s VAL 125 Ca -0.14 -1.72 0.02 0.00 -2.93 0.00 0.00 61.98 57.21 1yhu s VAL 125 Cb 0.10 -2.86 0.18 0.00 -1.53 0.00 0.00 36.38 32.28 1yhu s VAL 125 CO 0.63 -0.34 0.76 0.12 -3.33 0.00 0.00 175.10 172.93 1yhu s PHE 126 N 1.17 -1.33 -0.64 1.54 5.36 -1.25 -4.56 117.98 118.26 1yhu s PHE 126 Ca 0.01 0.29 -0.26 0.00 -0.96 0.00 0.00 56.93 56.01 1yhu s PHE 126 Cb -0.21 0.24 -0.08 0.00 -0.34 0.00 0.00 43.02 42.64 1yhu s PHE 126 CO -0.03 -0.88 2.26 0.34 -1.46 0.00 0.00 175.22 175.44 1yhu s ASP 127 N 2.03 4.51 0.15 6.13 -1.08 -1.26 -4.77 116.67 122.38 1yhu s ASP 127 Ca 0.16 0.48 -0.05 0.00 -0.52 0.00 0.00 52.55 52.61 1yhu s ASP 127 Cb -0.03 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1yhu s ASP 127 CO -0.12 -3.05 1.37 -0.61 0.52 0.00 0.00 175.17 173.29 1yhu h GLN 128 N 16.02 0.52 0.00 4.34 4.15 -1.99 -1.84 115.11 136.30 1yhu h GLN 128 Ca -0.14 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.83 1yhu h GLN 128 Cb 1.15 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1yhu h GLN 128 CO 1.14 1.08 0.00 -0.25 -1.93 0.00 0.00 178.83 178.86 1yhu n ASP 129 N -3.85 0.00 -0.03 -0.69 8.00 -1.26 -1.65 116.55 117.07 1yhu n ASP 129 Ca -0.06 -0.57 -0.08 0.00 0.71 0.00 0.00 54.79 54.79 1yhu n ASP 129 Cb 0.74 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1yhu n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhu n ALA 130 N -0.88 2.42 0.40 2.24 0.00 -1.05 -4.49 120.51 119.16 1yhu n ALA 130 Ca 0.08 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 1yhu n ALA 130 Cb 0.04 0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1yhu n ALA 130 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1yhu h TRP 131 N -0.31 -1.36 -0.33 0.00 4.06 -1.23 -1.69 115.95 115.08 1yhu h TRP 131 Ca -0.18 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.80 1yhu h TRP 131 Cb 1.02 0.50 -0.04 0.00 -1.00 0.00 0.00 29.16 29.63 1yhu h TRP 131 CO -0.05 -0.73 -0.20 1.17 -3.56 0.00 0.00 178.44 175.08 1yhu n LYS 132 N -5.61 -0.15 -0.13 0.49 3.00 -0.66 0.42 118.16 115.53 1yhu n LYS 132 Ca -0.14 0.99 -0.10 0.00 -0.00 0.00 0.00 58.31 59.06 1yhu n LYS 132 Cb 0.50 -1.46 -0.01 0.00 0.00 0.00 0.00 35.03 34.05 1yhu n LYS 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1yhu h PRO 133 N 0.00 0.58 -0.53 1.64 0.13 -1.78 -2.69 132.00 129.34 1yhu h PRO 133 Ca 0.05 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1yhu h PRO 133 Cb 0.14 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1yhu h PRO 133 CO -0.31 0.59 0.17 0.00 -0.23 0.00 0.00 178.00 178.22 1yhu h LEU 135 N 0.77 0.88 -0.80 0.00 3.38 0.03 -2.54 115.31 117.05 1yhu h LEU 135 Ca 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1yhu h LEU 135 Cb 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1yhu h LEU 135 CO -0.01 0.92 0.40 0.78 0.09 0.00 0.00 178.44 180.63 1yhu h ASN 136 N 0.86 1.02 -0.89 -0.43 2.35 -1.00 0.65 115.58 118.15 1yhu h ASN 136 Ca 0.17 -0.12 0.16 0.00 -0.55 0.00 0.00 56.30 55.95 1yhu h ASN 136 Cb 0.46 -0.26 -0.10 0.00 0.05 0.00 0.00 38.32 38.47 1yhu h ASN 136 CO 0.02 0.85 0.47 0.58 -1.65 0.00 0.00 177.43 177.71 1yhu h VAL 137 N 1.12 0.72 -0.03 2.81 2.07 -0.89 0.88 116.25 122.93 1yhu h VAL 137 Ca 0.28 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1yhu h VAL 137 Cb 0.08 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1yhu h VAL 137 CO -0.04 0.12 -0.05 0.40 0.02 0.00 0.00 177.57 178.02 1yhu h ILE 138 N 0.66 1.43 0.31 4.57 2.04 -1.13 -2.73 117.51 122.66 1yhu h ILE 138 Ca 0.49 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1yhu h ILE 138 Cb 0.71 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1yhu h ILE 138 CO -0.37 0.36 -0.23 0.74 0.00 0.00 0.00 178.15 178.65 1yhu h THR 139 N -0.44 0.51 -0.03 -0.27 2.02 0.21 -1.60 112.91 113.32 1yhu h THR 139 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1yhu h THR 139 Cb 0.61 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1yhu h THR 139 CO 0.01 0.00 0.15 0.78 0.37 0.00 0.00 175.52 176.83 1yhu h ASN 140 N -0.54 0.00 0.02 4.18 -0.26 0.66 0.42 115.58 120.05 1yhu h ASN 140 Ca -0.02 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1yhu h ASN 140 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1yhu h ASN 140 CO 0.00 0.00 -0.01 1.23 -1.06 0.00 0.00 177.43 177.59 1yhu h GLY 141 N 0.00 -0.03 1.88 2.83 0.00 -0.99 -3.21 103.07 103.55 1yhu h GLY 141 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1yhu h GLY 141 CO -0.00 -0.01 -0.05 -2.22 0.00 0.00 0.00 176.54 174.26 1yhu h ILE 142 N -0.87 1.11 -0.88 2.60 2.04 -0.35 -2.43 117.51 118.73 1yhu h ILE 142 Ca -0.00 -0.45 0.23 0.00 1.00 0.00 0.00 64.86 65.63 1yhu h ILE 142 Cb 0.76 1.09 -0.16 0.00 -0.74 0.00 0.00 36.82 37.77 1yhu h ILE 142 CO 0.00 0.14 0.05 -0.61 0.00 0.00 0.00 178.15 177.74 1yhu h GLN 143 N 0.16 0.08 0.00 2.37 5.75 -0.23 -3.39 115.11 119.85 1yhu h GLN 143 Ca 0.04 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1yhu h GLN 143 Cb 0.20 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1yhu h GLN 143 CO 0.01 0.05 0.00 0.41 -2.65 0.00 0.00 178.83 176.65