#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 -2.37 1.24 0.18 -1.26 -4.82 117.16 110.12 1yhu n TYR 2 Ca 0.00 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.75 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 0.00-11.96 -1.77 -3.48 0.31 -1.26 -4.71 118.33 95.46 1yhu n VAL 3 Ca 0.00 2.60 -0.41 0.00 -0.01 0.00 0.00 64.34 66.53 1yhu n VAL 3 Cb 0.00 -6.07 -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 4.38 1.57 0.41 0.00 0.00 -1.26 -4.74 107.32 107.67 1yhu s GLY 5 Ca 0.54 -0.26 0.12 0.00 0.00 0.00 0.00 44.72 45.12 1yhu s GLY 5 CO 0.04 0.37 1.95 -0.56 0.00 0.00 0.00 173.10 174.89 1yhu h PRO 6 N -2.06 0.50 -0.09 2.90 0.13 -1.98 -1.50 132.00 129.90 1yhu h PRO 6 Ca -0.56 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.36 1yhu h PRO 6 Cb 1.33 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1yhu h PRO 6 CO 0.55 0.33 -0.64 -0.07 -0.23 0.00 0.00 178.00 177.95 1yhu h LEU 7 N 0.52 0.72 -1.46 1.56 3.38 -1.98 -2.33 115.31 115.72 1yhu h LEU 7 Ca 0.32 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1yhu h LEU 7 Cb 0.56 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1yhu h LEU 7 CO -0.10 1.27 0.39 1.56 0.09 0.00 0.00 178.44 181.65 1yhu h GLN 8 N 0.22 0.70 0.02 1.13 1.08 -1.72 -0.96 115.11 115.59 1yhu h GLN 8 Ca -0.05 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1yhu h GLN 8 Cb 1.29 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1yhu h GLN 8 CO 0.13 0.47 -0.01 0.00 -0.95 0.00 0.00 178.83 178.47 1yhu h ARG 9 N 0.72 -0.03 -0.88 1.46 3.08 -1.21 0.13 114.38 117.66 1yhu h ARG 9 Ca 0.23 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.42 1yhu h ARG 9 Cb 0.03 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 1yhu h ARG 9 CO -0.06 0.20 0.48 -0.07 -1.07 0.00 0.00 179.97 179.46 1yhu h LEU 10 N -0.25 0.64 0.34 3.04 3.38 -0.76 0.31 115.31 122.00 1yhu h LEU 10 Ca -0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1yhu h LEU 10 Cb 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1yhu h LEU 10 CO 0.00 0.30 -0.17 0.50 0.09 0.00 0.00 178.44 179.17 1yhu h LYS 11 N 0.72 -0.45 -0.86 1.13 1.63 -0.79 -1.50 116.57 116.45 1yhu h LYS 11 Ca 0.46 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.34 1yhu h LYS 11 Cb 0.59 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.26 1yhu h LYS 11 CO -0.32 -0.22 0.54 0.28 -3.45 0.00 0.00 179.45 176.28 1yhu h VAL 12 N -0.59 1.08 -0.12 2.00 2.07 0.11 0.23 116.25 121.02 1yhu h VAL 12 Ca -0.05 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1yhu h VAL 12 Cb 0.43 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1yhu h VAL 12 CO 0.08 0.19 -0.22 0.11 0.02 0.00 0.00 177.57 177.74 1yhu h LYS 13 N 1.02 -0.27 -0.32 1.57 1.57 -0.14 0.52 116.57 120.51 1yhu h LYS 13 Ca 0.37 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1yhu h LYS 13 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1yhu h LYS 13 CO -0.15 -0.18 0.06 -0.09 -0.57 0.00 0.00 179.45 178.51 1yhu h ARG 14 N -0.28 0.52 -0.61 3.15 2.43 -0.55 -1.28 114.38 117.76 1yhu h ARG 14 Ca 0.10 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1yhu h ARG 14 Cb 0.43 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1yhu h ARG 14 CO -0.29 0.61 0.15 1.96 -1.51 0.00 0.00 179.97 180.89 1yhu h GLN 15 N 0.35 0.94 -0.40 0.20 4.20 -0.61 -1.89 115.11 117.90 1yhu h GLN 15 Ca 0.10 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1yhu h GLN 15 Cb 0.33 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1yhu h GLN 15 CO 0.00 0.84 0.24 2.35 -0.67 0.00 0.00 178.83 181.60 1yhu h TRP 16 N 0.90 0.46 -0.57 2.96 2.91 0.24 -1.75 115.95 121.09 1yhu h TRP 16 Ca 0.19 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.34 1yhu h TRP 16 Cb 0.32 -0.15 -0.11 0.00 -0.51 0.00 0.00 29.16 28.71 1yhu h TRP 16 CO 0.02 0.27 -0.23 0.00 -1.03 0.00 0.00 178.44 177.47 1yhu h ALA 17 N 1.17 0.20 -0.53 2.65 0.00 -0.46 0.28 119.26 122.56 1yhu h ALA 17 Ca 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1yhu h ALA 17 Cb -0.01 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1yhu h ALA 17 CO -0.07 -0.54 0.26 1.49 0.00 0.00 0.00 179.25 180.40 1yhu h GLU 18 N -0.09 0.76 -0.29 0.00 4.81 -0.83 -2.88 114.58 116.07 1yhu h GLU 18 Ca 0.26 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1yhu h GLU 18 Cb 0.50 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1yhu h GLU 18 CO -0.63 0.62 -0.13 0.00 -0.73 0.00 0.00 179.01 178.14 1yhu h ALA 19 N 1.10 0.40 0.00 2.92 0.00 -0.32 -2.15 119.26 121.21 1yhu h ALA 19 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1yhu h ALA 19 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yhu h ALA 19 CO -0.02 0.28 0.00 0.98 0.00 0.00 0.00 179.25 180.49 1yhu n TYR 20 N -4.43 0.00 0.00 0.00 9.36 0.84 -4.91 117.16 118.03 1yhu n TYR 20 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1yhu n TYR 20 Cb 0.36 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 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 0.16 0.51 0.13 2.98 0.00 -0.81 -4.26 105.19 103.89 1yhu n GLY 21 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.93 1.83 0.00 1.61 7.64 -1.26 -4.84 113.62 116.68 1yhu n SER 22 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1yhu n SER 22 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.90 -0.32 0.39 0.23 0.00 -1.26 -5.08 105.19 101.04 1yhu n GLY 23 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.72 115.26 114.94 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 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 40.86 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 -2.09 0.00 0.25 1.20 3.41 -1.26 -2.85 113.62 112.28 1yhu n SER 25 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 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 -0.01 4.33 3.08 -1.89 0.52 114.38 120.41 1yhu h ARG 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 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 0.08 0.00 1.49 -1.07 0.00 0.00 179.97 180.48 1yhu h GLU 27 N 0.00 0.01 -0.26 0.04 4.81 -1.90 0.94 114.58 118.23 1yhu h GLU 27 Ca -0.00 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1yhu h GLU 27 Cb 0.16 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1yhu h GLU 27 CO 0.01 0.25 -0.30 1.49 -0.73 0.00 0.00 179.01 179.73 1yhu h GLU 28 N -0.22 0.53 -0.39 1.92 4.81 -1.69 0.41 114.58 119.94 1yhu h GLU 28 Ca 0.00 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1yhu h GLU 28 Cb 0.24 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1yhu h GLU 28 CO 0.00 0.77 0.19 0.35 -0.73 0.00 0.00 179.01 179.59 1yhu h PHE 29 N 0.45 0.56 0.28 0.92 3.57 -0.75 0.99 116.94 122.97 1yhu h PHE 29 Ca 0.06 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1yhu h PHE 29 Cb 0.75 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1yhu h PHE 29 CO 0.03 0.47 -0.14 0.78 -2.23 0.00 0.00 178.31 177.22 1yhu h GLY 30 N 0.49 -0.39 -0.05 2.40 0.00 -0.58 -2.72 103.07 102.22 1yhu h GLY 30 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.70 1yhu h GLY 30 CO -0.02 -0.14 -0.21 0.84 0.00 0.00 0.00 176.54 177.01 1yhu h HIS 31 N -0.52 -0.54 -0.01 5.60 -0.00 -0.67 -1.67 115.15 117.32 1yhu h HIS 31 Ca -0.04 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1yhu h HIS 31 Cb 0.39 0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 28.05 1yhu h HIS 31 CO -0.02 -0.30 -0.47 0.35 -0.00 0.00 0.00 177.93 177.50 1yhu h PHE 32 N -0.13 -1.35 0.00 5.26 3.57 -0.75 0.29 116.94 123.83 1yhu h PHE 32 Ca 0.21 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1yhu h PHE 32 Cb 0.45 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1yhu h PHE 32 CO -0.46 -0.53 0.00 -0.89 -2.23 0.00 0.00 178.31 174.20 1yhu n ILE 33 N -5.46 0.00 -0.25 1.41 5.41 -0.79 -0.48 119.36 119.21 1yhu n ILE 33 Ca -0.06 1.35 0.20 0.00 1.00 0.00 0.00 62.75 65.24 1yhu n ILE 33 Cb 0.38 -2.08 0.52 0.00 -0.71 0.00 0.00 39.64 37.76 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 0.52 0.11 1.39 4.06 -1.32 0.23 115.95 120.94 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 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 1yhu h TRP 34 CO -0.29 0.13 -0.05 1.03 -3.56 0.00 0.00 178.44 175.70 1yhu h SER 35 N 0.38 -0.12 -0.65 -3.49 0.87 0.05 -2.13 113.55 108.46 1yhu h SER 35 Ca 0.48 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1yhu h SER 35 Cb 1.22 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1yhu h SER 35 CO -0.18 -0.08 0.42 -0.74 -0.53 0.00 0.00 176.83 175.72 1yhu h HIS 36 N -0.15 0.82 -0.37 2.24 -0.00 0.20 -1.73 115.15 116.16 1yhu h HIS 36 Ca -0.02 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1yhu h HIS 36 Cb 0.12 -0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 27.18 1yhu h HIS 36 CO -0.07 0.53 -0.15 0.28 -0.00 0.00 0.00 177.93 178.52 1yhu h VAL 37 N 0.88 0.52 0.00 5.26 2.07 -0.33 -1.42 116.25 123.23 1yhu h VAL 37 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 1yhu h VAL 37 Cb -0.09 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1yhu h VAL 37 CO -0.05 0.00 -0.03 -0.26 0.02 0.00 0.00 177.57 177.25 1yhu h PHE 38 N -0.08 0.00 -0.14 1.57 0.05 -1.12 0.00 116.94 117.22 1yhu h PHE 38 Ca 0.18 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.85 1yhu h PHE 38 Cb 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.29 1yhu h PHE 38 CO -0.38 0.03 -0.44 1.96 -0.18 0.00 0.00 178.31 179.30 1yhu h GLN 39 N 0.00 0.35 0.00 1.51 4.20 -0.36 -2.12 115.11 118.69 1yhu h GLN 39 Ca -0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1yhu h GLN 39 Cb 0.68 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1yhu h GLN 39 CO 0.00 0.73 -0.11 0.45 -0.67 0.00 0.00 178.83 179.23 1yhu h HIS 40 N 0.28 0.00 -3.09 2.96 3.86 -1.01 -3.41 115.15 114.74 1yhu h HIS 40 Ca 0.02 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.56 1yhu h HIS 40 Cb 0.89 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.98 1yhu h HIS 40 CO 0.02 0.51 -0.28 0.43 0.86 0.00 0.00 177.93 179.47 1yhu n SER 41 N -4.68 3.83 -0.09 2.45 7.64 -0.05 -4.92 113.62 117.80 1yhu n SER 41 Ca -0.07 -3.21 0.22 0.00 1.01 0.00 0.00 58.87 56.83 1yhu n SER 41 Cb 0.26 -0.91 0.67 0.00 -1.01 0.00 0.00 64.21 63.22 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 5.54 0.07 -0.63 1.43 0.13 -1.63 -0.16 132.00 136.74 1yhu h PRO 42 Ca 0.16 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1yhu h PRO 42 Cb 0.76 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 1yhu h PRO 42 CO 0.83 0.05 0.16 0.00 -0.23 0.00 0.00 178.00 178.80 1yhu h ALA 43 N 1.66 1.08 -0.98 -0.56 0.00 -1.91 -2.98 119.26 115.57 1yhu h ALA 43 Ca 0.33 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 55.30 1yhu h ALA 43 Cb 1.22 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1yhu h ALA 43 CO -0.03 0.61 0.79 0.00 0.00 0.00 0.00 179.25 180.62 1yhu h ALA 44 N 1.22 2.87 -0.96 0.00 0.00 -1.40 -0.71 119.26 120.28 1yhu h ALA 44 Ca 0.20 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.30 1yhu h ALA 44 Cb 0.33 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1yhu h ALA 44 CO -0.00 -1.30 0.62 0.00 0.00 0.00 0.00 179.25 178.58 1yhu h ARG 45 N 0.00 0.44 -0.05 0.00 3.08 -1.67 -1.02 114.38 115.16 1yhu h ARG 45 Ca 0.47 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.50 1yhu h ARG 45 Cb 2.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.99 1yhu h ARG 45 CO -0.00 0.29 0.20 -0.44 -1.07 0.00 0.00 179.97 178.95 1yhu h ASP 46 N 0.46 0.00 1.98 7.04 3.45 -1.36 0.06 116.42 128.05 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 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1yhu h ASP 46 CO -0.24 0.00 -0.00 0.24 -1.57 0.00 0.00 179.24 177.67 1yhu h MET 47 N 0.00 0.00 -0.78 3.56 2.86 -1.39 -3.29 114.93 115.88 1yhu h MET 47 Ca 0.02 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.23 1yhu h MET 47 Cb 0.43 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 31.84 1yhu h MET 47 CO -0.00 0.00 0.38 1.19 1.06 0.00 0.00 176.91 179.54 1yhu n PHE 48 N -3.08 2.44 0.18 -0.22 3.01 0.01 -4.65 117.46 115.15 1yhu n PHE 48 Ca 0.04 -1.93 0.17 0.00 1.01 0.00 0.00 57.45 56.73 1yhu n PHE 48 Cb 0.53 -0.84 0.78 0.00 -0.01 0.00 0.00 39.48 39.94 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 1.17 0.00 0.00 -1.08 1.57 -1.66 -0.58 116.57 115.99 1yhu h LYS 49 Ca 0.49 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.16 1yhu h LYS 49 Cb 2.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.48 1yhu h LYS 49 CO 0.92 0.00 -0.51 -0.09 -0.57 0.00 0.00 179.45 179.20 1yhu h ARG 50 N 0.00 0.00 -0.79 3.15 2.43 -1.92 -3.32 114.38 113.93 1yhu h ARG 50 Ca 0.10 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.71 1yhu h ARG 50 Cb 0.52 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.66 1yhu h ARG 50 CO -0.00 0.51 -0.61 1.33 -1.51 0.00 0.00 179.97 179.69 1yhu n VAL 51 N -3.45 2.67 -3.89 0.20 0.24 -0.48 -4.96 118.33 108.66 1yhu n VAL 51 Ca 0.00 -4.07 -0.30 0.00 -2.04 0.00 0.00 64.34 57.94 1yhu n VAL 51 Cb 0.64 -1.14 0.03 0.00 -1.47 0.00 0.00 33.84 31.89 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 -0.73 -5.67 0.00 7.34 5.12 -1.18 -3.18 116.66 118.35 1yhu n ARG 52 Ca 0.46 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 57.00 1yhu n ARG 52 Cb 0.93 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.71 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 -1.71 -0.19 0.11 -0.13 0.00 -0.35 -0.21 105.19 102.72 1yhu n GLY 53 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.83 1.61 2.03 -1.84 -3.42 116.42 111.96 1yhu h ASP 54 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1yhu h ASP 54 Cb 0.06 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.16 1yhu h ASP 54 CO 0.00 0.61 -0.79 0.21 -1.03 0.00 0.00 179.24 178.23 1yhu s ASN 55 N -6.17 3.46 0.13 4.15 3.04 0.71 -4.98 114.94 115.29 1yhu s ASN 55 Ca 0.00 -1.68 0.16 0.00 0.04 0.00 0.00 52.86 51.38 1yhu s ASN 55 Cb 0.08 -0.48 0.71 0.00 -1.54 0.00 0.00 41.25 40.02 1yhu s ASN 55 CO 0.79 -0.39 1.49 2.30 -3.04 0.00 0.00 177.10 178.25 1yhu n ILE 56 N 4.74 1.14 -1.20 -5.21 -5.35 -1.25 -3.03 119.36 109.19 1yhu n ILE 56 Ca 0.01 0.37 -0.19 0.00 -0.27 0.00 0.00 62.75 62.67 1yhu n ILE 56 Cb 0.40 -1.26 -0.10 0.00 -1.74 0.00 0.00 39.64 36.94 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 -1.86 0.85 -4.18 4.28 8.25 -1.26 -4.04 115.22 117.27 1yhu n HIS 57 Ca 0.02 -1.71 -0.17 0.00 -0.26 0.00 0.00 57.72 55.59 1yhu n HIS 57 Cb 0.14 -1.40 -0.15 0.00 1.12 0.00 0.00 29.99 29.69 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 -0.79 0.47 0.32 1.59 2.01 -1.17 -5.01 115.64 113.07 1yhu s THR 58 Ca 0.58 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.49 1yhu s THR 58 Cb 0.33 -0.44 0.32 0.00 0.01 0.00 0.00 72.50 72.72 1yhu s THR 58 CO -0.10 0.16 1.71 1.55 -0.69 0.00 0.00 174.62 177.25 1yhu h PRO 59 N 6.41 0.49 0.17 4.92 0.13 -1.92 0.69 132.00 142.90 1yhu h PRO 59 Ca -0.33 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1yhu h PRO 59 Cb 1.17 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1yhu h PRO 59 CO 0.49 0.33 -0.27 0.00 -0.23 0.00 0.00 178.00 178.32 1yhu h ALA 60 N 1.76 -0.50 -0.27 -0.56 0.00 -1.94 0.21 119.26 117.96 1yhu h ALA 60 Ca 0.67 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.41 1yhu h ALA 60 Cb 1.35 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1yhu h ALA 60 CO -0.51 -0.82 -0.27 0.35 0.00 0.00 0.00 179.25 177.99 1yhu h PHE 61 N -0.51 0.80 -0.93 0.00 3.57 -0.69 -2.39 116.94 116.79 1yhu h PHE 61 Ca 0.02 -0.24 0.13 0.00 3.53 0.00 0.00 57.97 61.41 1yhu h PHE 61 Cb 0.52 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1yhu h PHE 61 CO -0.22 0.97 0.54 0.00 -2.23 0.00 0.00 178.31 177.37 1yhu h ARG 62 N 0.40 0.79 -0.60 1.11 3.08 0.38 0.46 114.38 120.01 1yhu h ARG 62 Ca 0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1yhu h ARG 62 Cb 0.84 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1yhu h ARG 62 CO 0.07 0.52 0.14 0.00 -1.07 0.00 0.00 179.97 179.63 1yhu h ALA 63 N 1.55 1.12 0.74 0.04 0.00 -0.79 -0.72 119.26 121.20 1yhu h ALA 63 Ca 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1yhu h ALA 63 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yhu h ALA 63 CO -0.31 0.59 -0.38 1.25 0.00 0.00 0.00 179.25 180.40 1yhu h HIS 64 N 0.89 -0.99 -1.00 0.00 -0.00 0.33 -2.17 115.15 112.20 1yhu h HIS 64 Ca 0.19 -0.02 0.23 0.00 -0.00 0.00 0.00 60.37 60.77 1yhu h HIS 64 Cb 0.33 0.33 -0.10 0.00 -0.00 0.00 0.00 27.41 27.98 1yhu h HIS 64 CO 0.02 -0.60 0.63 0.00 -0.00 0.00 0.00 177.93 177.98 1yhu h ALA 65 N -0.79 1.99 -0.24 5.26 0.00 -0.65 0.23 119.26 125.07 1yhu h ALA 65 Ca -0.10 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 65 Cb 0.80 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1yhu h ALA 65 CO 0.15 -0.37 -0.00 1.15 0.00 0.00 0.00 179.25 180.18 1yhu h THR 66 N 0.54 0.83 -0.50 0.00 2.02 -0.62 -0.72 112.91 114.46 1yhu h THR 66 Ca 0.57 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1yhu h THR 66 Cb 1.21 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1yhu h THR 66 CO -0.32 0.01 0.32 0.03 0.37 0.00 0.00 175.52 175.93 1yhu h ARG 67 N 0.07 0.67 0.31 6.66 3.08 0.04 -1.02 114.38 124.20 1yhu h ARG 67 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1yhu h ARG 67 Cb 0.14 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1yhu h ARG 67 CO -0.19 0.47 -0.19 0.28 -1.07 0.00 0.00 179.97 179.27 1yhu h VAL 68 N 0.68 0.00 -0.91 2.04 2.07 -0.73 1.00 116.25 120.40 1yhu h VAL 68 Ca 0.18 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.90 1yhu h VAL 68 Cb -0.04 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.66 1yhu h VAL 68 CO -0.04 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.08 1yhu h LEU 69 N -0.48 0.46 -0.42 2.57 4.07 -1.19 0.19 115.31 120.51 1yhu h LEU 69 Ca -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1yhu h LEU 69 Cb 0.38 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1yhu h LEU 69 CO 0.04 0.18 0.21 1.23 -1.08 0.00 0.00 178.44 179.03 1yhu h GLY 70 N 0.46 0.64 0.95 0.83 0.00 -0.82 0.28 103.07 105.40 1yhu h GLY 70 Ca 0.48 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1yhu h GLY 70 CO -0.19 0.29 0.01 -1.33 0.00 0.00 0.00 176.54 175.32 1yhu h GLY 71 N 0.53 0.02 0.10 4.60 0.00 0.19 -2.11 103.07 106.40 1yhu h GLY 71 Ca 0.14 -0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.61 1yhu h GLY 71 CO -0.02 0.01 0.27 -2.00 0.00 0.00 0.00 176.54 174.80 1yhu h LEU 72 N -0.03 0.22 -0.47 3.11 5.85 -0.38 -0.25 115.31 123.36 1yhu h LEU 72 Ca 0.00 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1yhu h LEU 72 Cb 0.05 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1yhu h LEU 72 CO -0.00 0.07 0.24 -0.78 -0.34 0.00 0.00 178.44 177.63 1yhu h ASP 73 N 0.40 0.36 0.23 1.25 1.82 0.05 -0.77 116.42 119.75 1yhu h ASP 73 Ca 0.42 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 57.08 1yhu h ASP 73 Cb 0.65 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1yhu h ASP 73 CO -0.43 0.25 -0.27 0.24 -1.61 0.00 0.00 179.24 177.43 1yhu h MET 74 N 0.48 -0.52 -0.17 0.28 2.86 -0.42 0.20 114.93 117.63 1yhu h MET 74 Ca 0.20 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1yhu h MET 74 Cb 0.10 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 1yhu h MET 74 CO -0.13 -0.35 -0.23 0.00 1.06 0.00 0.00 176.91 177.26 1yhu h ILE 76 N -0.27 1.10 0.00 0.00 2.04 -0.86 0.46 117.51 119.98 1yhu h ILE 76 Ca 0.11 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1yhu h ILE 76 Cb 0.44 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1yhu h ILE 76 CO -0.33 0.18 -0.52 0.00 0.00 0.00 0.00 178.15 177.48 1yhu h ALA 77 N 1.53 1.00 -0.00 1.87 0.00 0.91 -2.79 119.26 121.78 1yhu h ALA 77 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1yhu h ALA 77 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yhu h ALA 77 CO -0.11 0.64 -0.29 1.28 0.00 0.00 0.00 179.25 180.77 1yhu n LEU 78 N -3.71 0.34 -0.55 0.00 7.99 0.20 -4.37 117.00 116.90 1yhu n LEU 78 Ca -0.01 0.17 0.45 0.00 -0.01 0.00 0.00 56.01 56.61 1yhu n LEU 78 Cb 0.57 -0.33 0.77 0.00 -0.11 0.00 0.00 43.42 44.32 1yhu n LEU 78 CO 0.40 0.08 1.40 -0.07 -1.51 0.00 0.00 177.39 177.69 1yhu h LEU 79 N 0.07 0.04 0.00 2.23 3.38 -0.70 0.45 115.31 120.79 1yhu h LEU 79 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yhu h LEU 79 Cb 0.49 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1yhu h LEU 79 CO 0.00 -0.02 -0.39 -0.90 0.09 0.00 0.00 178.44 177.21 1yhu n ASP 80 N -4.13 0.72 -3.95 -0.43 5.68 -1.26 -4.42 116.55 108.76 1yhu n ASP 80 Ca 0.37 0.27 -0.35 0.00 -0.50 0.00 0.00 54.79 54.59 1yhu n ASP 80 Cb 1.68 -0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 41.42 1yhu n ASP 80 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1yhu n ASP 81 N -2.13 4.33 -0.38 -1.12 -0.08 0.16 -4.97 116.55 112.35 1yhu n ASP 81 Ca 0.04 -3.24 -0.07 0.00 -1.51 0.00 0.00 54.79 50.01 1yhu n ASP 81 Cb 0.43 -0.98 -0.05 0.00 2.34 0.00 0.00 41.12 42.86 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 1.85 -0.34 0.08 -0.67 4.07 -1.26 -0.57 120.64 123.80 1yhu n GLU 82 Ca 0.24 1.42 -0.15 0.00 -0.06 0.00 0.00 57.16 58.60 1yhu n GLU 82 Cb 0.37 -2.09 -0.09 0.00 -0.06 0.00 0.00 31.44 29.56 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 -0.32 5.31 0.13 -1.93 -1.70 132.00 132.83 1yhu h PRO 83 Ca 0.21 0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.36 1yhu h PRO 83 Cb 0.45 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1yhu h PRO 83 CO -0.90 -0.44 0.07 0.28 -0.23 0.00 0.00 178.00 176.79 1yhu h VAL 84 N -0.68 1.16 0.04 1.56 2.07 -1.81 -2.64 116.25 115.95 1yhu h VAL 84 Ca 0.00 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1yhu h VAL 84 Cb 0.71 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1yhu h VAL 84 CO -0.31 0.20 -0.13 0.25 0.02 0.00 0.00 177.57 177.61 1yhu h LEU 85 N 0.46 -0.36 -1.42 2.57 5.85 -0.27 -1.45 115.31 120.69 1yhu h LEU 85 Ca 0.11 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1yhu h LEU 85 Cb 0.19 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1yhu h LEU 85 CO -0.00 -0.18 -0.28 0.78 -0.34 0.00 0.00 178.44 178.41 1yhu h ASN 86 N -0.23 0.01 -0.45 1.25 4.21 -1.11 0.38 115.58 119.64 1yhu h ASN 86 Ca 0.03 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 1yhu h ASN 86 Cb 0.27 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1yhu h ASN 86 CO -0.10 0.29 0.26 0.74 -1.29 0.00 0.00 177.43 177.34 1yhu h THR 87 N 0.01 1.15 -0.06 2.81 2.02 -1.07 0.14 112.91 117.91 1yhu h THR 87 Ca -0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1yhu h THR 87 Cb 0.50 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1yhu h THR 87 CO 0.04 0.15 -0.04 -0.61 0.37 0.00 0.00 175.52 175.43 1yhu h GLN 88 N 0.59 0.14 -0.93 6.66 -0.00 -0.49 -2.26 115.11 118.81 1yhu h GLN 88 Ca 0.16 -0.07 0.18 0.00 -0.00 0.00 0.00 58.65 58.92 1yhu h GLN 88 Cb 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.42 1yhu h GLN 88 CO -0.03 0.54 0.60 -0.07 0.00 0.00 0.00 178.83 179.87 1yhu h LEU 89 N -0.27 0.61 0.01 -2.39 3.38 -0.09 0.12 115.31 116.68 1yhu h LEU 89 Ca 0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 89 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1yhu h LEU 89 CO 0.01 0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.80 1yhu h ALA 90 N 1.61 -0.02 -0.44 1.53 0.00 -0.46 -0.11 119.26 121.38 1yhu h ALA 90 Ca 0.49 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.45 1yhu h ALA 90 Cb 0.93 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1yhu h ALA 90 CO -0.24 -0.48 0.03 1.25 0.00 0.00 0.00 179.25 179.81 1yhu h HIS 91 N -0.08 0.03 -0.72 0.00 -0.00 -0.27 -0.20 115.15 113.90 1yhu h HIS 91 Ca -0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1yhu h HIS 91 Cb 0.08 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 1yhu h HIS 91 CO -0.06 -0.06 0.44 -0.07 -0.00 0.00 0.00 177.93 178.18 1yhu h LEU 92 N 0.14 0.86 -0.12 0.26 3.38 -0.72 -1.94 115.31 117.17 1yhu h LEU 92 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1yhu h LEU 92 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1yhu h LEU 92 CO -0.34 0.65 0.07 0.00 0.09 0.00 0.00 178.44 178.92 1yhu h ALA 93 N 1.49 0.15 -0.05 1.53 0.00 0.71 -2.01 119.26 121.08 1yhu h ALA 93 Ca 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1yhu h ALA 93 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yhu h ALA 93 CO -0.05 -0.37 -0.07 0.87 0.00 0.00 0.00 179.25 179.63 1yhu h LYS 94 N 0.15 0.08 0.00 0.00 1.57 -0.79 0.85 116.57 118.43 1yhu h LYS 94 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1yhu h LYS 94 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1yhu h LYS 94 CO -0.02 0.15 0.00 1.96 -0.57 0.00 0.00 179.45 180.97 1yhu h GLN 95 N 0.07 0.00 0.00 3.15 4.20 -0.62 -3.13 115.11 118.78 1yhu h GLN 95 Ca 0.02 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1yhu h GLN 95 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 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 -2.50 0.00 0.00 2.96 8.25 -0.28 -4.87 115.22 118.78 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 0.26 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.24 0.00 0.49 -0.41 2.13 0.14 -1.11 120.64 119.63 1yhu n GLU 97 Ca -0.12 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.51 1yhu n GLU 97 Cb 0.65 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.27 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 -0.85 6.31 2.02 -1.89 -3.45 112.91 115.05 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 -5.34 0.00 -1.68 6.66 1.74 -0.26 -4.80 116.66 112.98 1yhu n ARG 99 Ca -0.15 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 1yhu n ARG 99 Cb 0.49 -0.89 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 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 1.65 4.69 3.62 -0.13 0.00 -1.26 -4.95 105.19 108.80 1yhu n GLY 100 Ca 0.15 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.43 3.98 0.69 1.61 -7.23 -1.26 -5.01 120.40 112.75 1yhu s VAL 101 Ca 0.59 1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 61.73 1yhu s VAL 101 Cb 0.23 -4.10 0.02 0.00 0.56 0.00 0.00 36.38 33.09 1yhu s VAL 101 CO -0.10 -0.55 1.06 -1.61 -0.31 0.00 0.00 175.10 173.59 1yhu s GLU 102 N 4.55 2.76 0.15 4.82 0.41 -1.26 -4.96 118.70 125.16 1yhu s GLU 102 Ca 0.61 0.31 -0.16 0.00 -0.41 0.00 0.00 54.97 55.31 1yhu s GLU 102 Cb -0.17 -2.07 0.01 0.00 -1.78 0.00 0.00 34.13 30.12 1yhu s GLU 102 CO 0.28 -1.03 1.78 0.00 -0.49 0.00 0.00 175.26 175.79 1yhu h ALA 103 N -0.60 0.50 -0.16 5.21 0.00 -2.01 -2.07 119.26 120.14 1yhu h ALA 103 Ca -0.45 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1yhu h ALA 103 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1yhu h ALA 103 CO 0.63 -0.00 0.15 0.00 0.00 0.00 0.00 179.25 180.04 1yhu h ALA 104 N 1.11 1.83 -0.28 0.00 0.00 -1.99 -0.94 119.26 118.99 1yhu h ALA 104 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1yhu h ALA 104 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yhu h ALA 104 CO -0.03 -0.23 -0.03 0.45 0.00 0.00 0.00 179.25 179.41 1yhu h HIS 105 N 0.00 0.57 -0.44 0.00 3.86 -1.75 -1.95 115.15 115.44 1yhu h HIS 105 Ca 0.07 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 1yhu h HIS 105 Cb 0.38 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1yhu h HIS 105 CO 0.00 0.69 -0.06 1.88 0.86 0.00 0.00 177.93 181.30 1yhu h TYR 106 N 0.28 0.80 -0.47 2.45 -1.99 -1.14 -1.61 116.97 115.29 1yhu h TYR 106 Ca 0.07 -0.13 0.04 0.00 2.00 0.00 0.00 58.73 60.72 1yhu h TYR 106 Cb 0.48 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 1yhu h TYR 106 CO 0.04 0.78 0.22 -0.44 -0.00 0.00 0.00 178.16 178.77 1yhu h ASP 107 N 0.69 0.31 0.99 3.88 3.45 -1.19 0.16 116.42 124.71 1yhu h ASP 107 Ca 0.13 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 1yhu h ASP 107 Cb 0.51 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1yhu h ASP 107 CO 0.03 0.22 -0.47 0.74 -1.57 0.00 0.00 179.24 178.18 1yhu h THR 108 N 0.44 0.00 -0.72 0.35 2.02 -0.87 0.38 112.91 114.52 1yhu h THR 108 Ca 0.21 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.50 1yhu h THR 108 Cb 0.14 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.45 1yhu h THR 108 CO -0.16 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.53 1yhu h VAL 109 N -1.36 0.60 0.11 3.16 2.07 -1.15 0.20 116.25 119.88 1yhu h VAL 109 Ca -0.14 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1yhu h VAL 109 Cb 1.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1yhu h VAL 109 CO 0.22 0.06 -0.15 0.78 0.02 0.00 0.00 177.57 178.50 1yhu h ASN 110 N 0.35 -0.42 -0.20 0.57 -0.26 -0.49 0.13 115.58 115.25 1yhu h ASN 110 Ca 0.40 0.05 0.06 0.00 -0.56 0.00 0.00 56.30 56.24 1yhu h ASN 110 Cb 0.63 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.99 1yhu h ASN 110 CO -0.44 -0.23 -0.25 -0.74 -1.06 0.00 0.00 177.43 174.71 1yhu h HIS 111 N -0.31 -0.68 -0.18 1.19 2.76 0.39 -1.36 115.15 116.95 1yhu h HIS 111 Ca 0.02 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1yhu h HIS 111 Cb 0.32 0.33 -0.06 0.00 1.55 0.00 0.00 27.41 29.55 1yhu h HIS 111 CO -0.16 -0.33 -0.23 0.00 -1.30 0.00 0.00 177.93 175.91 1yhu h ALA 112 N 0.70 -0.16 -0.79 5.26 0.00 -0.21 0.39 119.26 124.44 1yhu h ALA 112 Ca 0.12 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1yhu h ALA 112 Cb 0.47 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1yhu h ALA 112 CO -0.36 -0.68 0.39 0.28 0.00 0.00 0.00 179.25 178.88 1yhu h VAL 113 N -0.27 0.76 -0.38 0.00 2.07 -0.27 0.33 116.25 118.49 1yhu h VAL 113 Ca 0.12 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1yhu h VAL 113 Cb 0.45 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1yhu h VAL 113 CO -0.34 0.11 0.13 0.24 0.02 0.00 0.00 177.57 177.73 1yhu h MET 114 N 0.59 0.59 -0.39 1.57 2.86 -0.14 0.13 114.93 120.14 1yhu h MET 114 Ca 0.42 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 58.01 1yhu h MET 114 Cb 0.54 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1yhu h MET 114 CO -0.34 0.58 -0.00 0.52 1.06 0.00 0.00 176.91 178.73 1yhu h MET 115 N 0.47 0.10 -0.25 1.72 2.86 0.69 0.35 114.93 120.87 1yhu h MET 115 Ca 0.13 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1yhu h MET 115 Cb 0.23 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1yhu h MET 115 CO -0.01 0.06 -0.04 0.78 1.06 0.00 0.00 176.91 178.77 1yhu h GLY 116 N 0.10 0.20 0.97 8.32 0.00 0.24 0.37 103.07 113.27 1yhu h GLY 116 Ca 0.19 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1yhu h GLY 116 CO -0.32 -0.08 0.09 -2.08 0.00 0.00 0.00 176.54 174.14 1yhu h VAL 117 N 0.03 1.07 -0.31 4.60 2.07 0.24 -2.67 116.25 121.27 1yhu h VAL 117 Ca 0.12 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1yhu h VAL 117 Cb 0.18 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1yhu h VAL 117 CO -0.24 0.06 0.15 -0.08 0.02 0.00 0.00 177.57 177.48 1yhu h GLU 118 N 0.16 0.30 -0.87 1.57 4.81 0.13 -1.11 114.58 119.56 1yhu h GLU 118 Ca 0.05 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.49 1yhu h GLU 118 Cb 0.03 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.21 1yhu h GLU 118 CO -0.01 0.20 0.31 -0.97 -0.73 0.00 0.00 179.01 177.81 1yhu h ASN 119 N 0.31 0.16 0.02 1.04 -0.00 0.02 0.56 115.58 117.68 1yhu h ASN 119 Ca 0.13 0.17 -0.03 0.00 -0.00 0.00 0.00 56.30 56.57 1yhu h ASN 119 Cb 0.05 0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1yhu h ASN 119 CO -0.10 -0.08 -0.14 0.58 -0.00 0.00 0.00 177.43 177.69 1yhu h VAL 120 N 0.30 1.72 0.00 2.57 2.07 -1.08 -3.37 116.25 118.45 1yhu h VAL 120 Ca 0.54 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1yhu h VAL 120 Cb 1.06 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 1yhu h VAL 120 CO -0.58 0.61 -0.45 2.30 0.02 0.00 0.00 177.57 179.46 1yhu n ILE 121 N -4.54 0.31 0.00 4.57 -5.35 -0.48 -5.03 119.36 108.84 1yhu n ILE 121 Ca -0.10 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1yhu n ILE 121 Cb 0.52 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.37 0.95 0.25 3.28 0.00 0.19 -4.66 105.19 106.57 1yhu n GLY 122 Ca 0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 0.44 -0.42 1.61 4.64 -1.94 -3.16 113.55 114.73 1yhu h SER 123 Ca 0.00 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1yhu h SER 123 Cb 0.00 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 61.89 1yhu h SER 123 CO 0.00 0.61 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.71 1yhu h GLU 124 N 0.42 -0.35 -4.63 4.77 3.07 -1.96 -3.33 114.58 112.57 1yhu h GLU 124 Ca 0.08 0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 58.27 1yhu h GLU 124 Cb 0.50 0.08 -0.34 0.00 -0.84 0.00 0.00 28.75 28.16 1yhu h GLU 124 CO 0.03 -0.23 -0.63 0.54 -1.40 0.00 0.00 179.01 177.32 1yhu s VAL 125 N -5.51 3.11 -0.36 3.13 0.11 -1.19 -4.98 120.40 114.70 1yhu s VAL 125 Ca -0.14 -1.76 0.04 0.00 -2.93 0.00 0.00 61.98 57.20 1yhu s VAL 125 Cb 0.08 -2.99 0.19 0.00 -1.53 0.00 0.00 36.38 32.13 1yhu s VAL 125 CO 0.59 -0.42 0.70 0.12 -3.33 0.00 0.00 175.10 172.76 1yhu s PHE 126 N 1.18 -1.51 -0.70 1.54 5.36 -1.25 -4.57 117.98 118.03 1yhu s PHE 126 Ca 0.02 0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 56.16 1yhu s PHE 126 Cb -0.21 0.27 -0.09 0.00 -0.34 0.00 0.00 43.02 42.65 1yhu s PHE 126 CO -0.03 -0.98 2.27 0.34 -1.46 0.00 0.00 175.22 175.36 1yhu s ASP 127 N 2.15 4.42 0.17 6.13 -1.08 -1.26 -4.78 116.67 122.42 1yhu s ASP 127 Ca 0.15 0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1yhu s ASP 127 Cb -0.04 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.93 1yhu s ASP 127 CO -0.13 -3.22 1.45 -0.61 0.52 0.00 0.00 175.17 173.18 1yhu h GLN 128 N 14.80 0.59 0.00 4.34 4.15 -1.99 -1.52 115.11 135.48 1yhu h GLN 128 Ca -0.09 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1yhu h GLN 128 Cb 1.10 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1yhu h GLN 128 CO 1.11 1.02 0.00 -0.25 -1.93 0.00 0.00 178.83 178.78 1yhu n ASP 129 N -3.93 0.00 -0.03 -0.69 8.00 -1.26 -1.49 116.55 117.15 1yhu n ASP 129 Ca -0.04 -0.61 -0.07 0.00 0.71 0.00 0.00 54.79 54.79 1yhu n ASP 129 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 -0.86 2.43 0.50 2.24 0.00 -0.97 -4.51 120.51 119.34 1yhu n ALA 130 Ca 0.08 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 1yhu n ALA 130 Cb 0.04 0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.20 -1.23 -0.22 0.00 4.06 -1.13 -1.84 115.95 115.39 1yhu h TRP 131 Ca -0.17 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.78 1yhu h TRP 131 Cb 1.16 0.41 -0.03 0.00 -1.00 0.00 0.00 29.16 29.71 1yhu h TRP 131 CO -0.02 -0.75 -0.13 1.17 -3.56 0.00 0.00 178.44 175.15 1yhu n LYS 132 N -5.65 -0.10 -0.09 0.49 3.00 -0.55 0.35 118.16 115.61 1yhu n LYS 132 Ca -0.16 0.89 -0.10 0.00 -0.00 0.00 0.00 58.31 58.94 1yhu n LYS 132 Cb 0.51 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 34.19 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 0.42 -0.44 1.64 0.13 -1.78 -2.68 132.00 129.29 1yhu h PRO 133 Ca 0.04 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1yhu h PRO 133 Cb 0.09 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1yhu h PRO 133 CO -0.21 0.43 0.19 0.00 -0.23 0.00 0.00 178.00 178.19 1yhu h LEU 135 N 0.62 0.98 -0.83 0.00 3.38 0.01 -2.67 115.31 116.79 1yhu h LEU 135 Ca 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1yhu h LEU 135 Cb 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1yhu h LEU 135 CO -0.02 1.06 0.48 0.78 0.09 0.00 0.00 178.44 180.84 1yhu h ASN 136 N 0.89 1.02 -0.90 -0.43 2.35 -1.01 0.85 115.58 118.35 1yhu h ASN 136 Ca 0.15 -0.08 0.16 0.00 -0.55 0.00 0.00 56.30 55.98 1yhu h ASN 136 Cb 0.60 -0.26 -0.10 0.00 0.05 0.00 0.00 38.32 38.62 1yhu h ASN 136 CO 0.04 0.80 0.49 0.58 -1.65 0.00 0.00 177.43 177.69 1yhu h VAL 137 N 1.15 0.72 0.06 2.81 2.07 -0.99 0.89 116.25 122.97 1yhu h VAL 137 Ca 0.30 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1yhu h VAL 137 Cb -0.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1yhu h VAL 137 CO -0.05 0.12 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 1yhu h ILE 138 N 0.67 1.25 0.21 4.57 2.04 -1.09 -2.72 117.51 122.44 1yhu h ILE 138 Ca 0.50 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1yhu h ILE 138 Cb 0.72 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1yhu h ILE 138 CO -0.37 0.28 -0.27 0.74 0.00 0.00 0.00 178.15 178.53 1yhu h THR 139 N -0.60 0.42 -0.02 -0.27 2.02 0.07 -1.06 112.91 113.46 1yhu h THR 139 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1yhu h THR 139 Cb 0.52 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 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 0.01 4.18 -0.26 0.70 0.37 115.58 120.04 1yhu h ASN 140 Ca 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1yhu h ASN 140 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1yhu h ASN 140 CO -0.10 0.00 -0.01 1.23 -1.06 0.00 0.00 177.43 177.50 1yhu h GLY 141 N 0.00 -0.02 1.85 2.83 0.00 -0.89 -3.20 103.07 103.64 1yhu h GLY 141 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1yhu h GLY 141 CO -0.00 -0.01 -0.07 -2.22 0.00 0.00 0.00 176.54 174.24 1yhu h ILE 142 N -0.86 1.13 -0.91 2.60 2.04 -0.36 -2.61 117.51 118.54 1yhu h ILE 142 Ca -0.00 -0.56 0.23 0.00 1.00 0.00 0.00 64.86 65.53 1yhu h ILE 142 Cb 0.79 1.12 -0.17 0.00 -0.74 0.00 0.00 36.82 37.82 1yhu h ILE 142 CO 0.00 0.18 0.01 -0.61 0.00 0.00 0.00 178.15 177.73 1yhu h GLN 143 N 0.18 0.05 0.00 2.37 5.75 -0.31 -3.39 115.11 119.76 1yhu h GLN 143 Ca 0.04 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1yhu h GLN 143 Cb 0.25 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1yhu h GLN 143 CO 0.01 0.03 0.00 0.41 -2.65 0.00 0.00 178.83 176.64