#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n ALA 2 N 0.00 5.52 -2.54 0.00 0.00 -1.26 -4.87 120.51 117.36 1yhu n ALA 2 Ca 0.00 -3.75 -0.27 0.00 0.00 0.00 0.00 53.44 49.42 1yhu n ALA 2 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 1yhu n ALA 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yhu s ASN 3 N -2.91 4.12 0.21 0.00 4.22 -1.26 -4.67 114.94 114.64 1yhu s ASN 3 Ca 0.55 -1.25 -0.11 0.00 -2.14 0.00 0.00 52.86 49.92 1yhu s ASN 3 Cb 0.44 -0.43 -0.01 0.00 1.28 0.00 0.00 41.25 42.53 1yhu s ASN 3 CO -0.02 -0.49 0.38 0.00 -2.04 0.00 0.00 177.10 174.93 1yhu n ALA 5 N -0.31 -2.13 -0.34 0.00 0.00 -1.26 -4.63 120.51 111.83 1yhu n ALA 5 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1yhu n ALA 5 Cb 0.63 -1.63 0.18 0.00 0.00 0.00 0.00 19.45 18.62 1yhu n ALA 5 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yhu h ASP 6 N 0.38 0.91 0.14 0.00 -0.00 -1.99 0.11 116.42 115.98 1yhu h ASP 6 Ca -0.41 0.03 -0.19 0.00 -0.00 0.00 0.00 57.03 56.46 1yhu h ASP 6 Cb 1.42 -0.16 0.02 0.00 -0.00 0.00 0.00 39.33 40.61 1yhu h ASP 6 CO 0.47 0.55 -0.82 0.00 -0.00 0.00 0.00 179.24 179.44 1yhu h ALA 7 N 1.46 -0.09 -0.64 -0.78 0.00 -1.99 -2.08 119.26 115.13 1yhu h ALA 7 Ca 0.43 -0.70 0.17 0.00 0.00 0.00 0.00 54.91 54.81 1yhu h ALA 7 Cb 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1yhu h ALA 7 CO -0.20 0.38 0.45 0.00 0.00 0.00 0.00 179.25 179.88 1yhu h ALA 8 N 0.08 2.46 0.10 0.00 0.00 -1.79 -0.57 119.26 119.54 1yhu h ALA 8 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yhu h ALA 8 Cb 1.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1yhu h ALA 8 CO 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 179.25 178.72 1yhu h ALA 9 N 1.69 -0.14 -0.97 0.00 0.00 -0.74 -3.04 119.26 116.07 1yhu h ALA 9 Ca 0.31 -0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1yhu h ALA 9 Cb 1.08 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1yhu h ALA 9 CO -0.03 -0.29 0.64 0.00 0.00 0.00 0.00 179.25 179.57 1yhu h ALA 10 N 0.03 2.28 0.38 0.00 0.00 -0.41 -0.72 119.26 120.83 1yhu h ALA 10 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yhu h ALA 10 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yhu h ALA 10 CO 0.02 -0.61 -0.18 0.82 0.00 0.00 0.00 179.25 179.30 1yhu h ILE 11 N 0.37 0.62 -0.54 0.00 1.08 -1.26 -2.17 117.51 115.62 1yhu h ILE 11 Ca 0.52 -0.33 0.09 0.00 -0.39 0.00 0.00 64.86 64.75 1yhu h ILE 11 Cb 1.35 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.81 1yhu h ILE 11 CO -0.20 0.06 0.10 0.58 -0.69 0.00 0.00 178.15 178.00 1yhu h VAL 12 N -0.71 0.69 -0.13 1.67 2.07 -1.12 -1.82 116.25 116.91 1yhu h VAL 12 Ca -0.05 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1yhu h VAL 12 Cb 0.50 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1yhu h VAL 12 CO 0.09 0.04 -0.24 1.56 0.02 0.00 0.00 177.57 179.04 1yhu h GLN 13 N 0.24 -0.20 -0.61 1.57 1.08 -1.07 0.58 115.11 116.71 1yhu h GLN 13 Ca 0.27 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.61 1yhu h GLN 13 Cb 0.38 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.74 1yhu h GLN 13 CO -0.36 -0.13 -0.23 0.00 -0.95 0.00 0.00 178.83 177.16 1yhu h ALA 14 N -0.84 0.24 -0.04 3.87 0.00 -1.03 0.45 119.26 121.91 1yhu h ALA 14 Ca 0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yhu h ALA 14 Cb 0.27 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yhu h ALA 14 CO -0.23 -0.52 0.02 1.96 0.00 0.00 0.00 179.25 180.48 1yhu h GLN 15 N -0.07 0.05 -0.05 0.00 4.20 -0.86 0.29 115.11 118.67 1yhu h GLN 15 Ca 0.28 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 1yhu h GLN 15 Cb 0.51 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1yhu h GLN 15 CO -0.66 0.13 0.03 2.35 -0.67 0.00 0.00 178.83 180.00 1yhu h TRP 16 N -0.04 0.07 -0.84 2.96 2.91 0.10 -1.55 115.95 119.57 1yhu h TRP 16 Ca 0.01 -0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.23 1yhu h TRP 16 Cb 0.09 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 28.66 1yhu h TRP 16 CO -0.04 0.09 0.56 0.93 -1.03 0.00 0.00 178.44 178.95 1yhu h GLU 17 N 0.02 0.32 -0.54 2.65 4.39 -0.00 0.11 114.58 121.54 1yhu h GLU 17 Ca 0.02 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1yhu h GLU 17 Cb 0.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1yhu h GLU 17 CO -0.00 0.21 0.36 0.22 -1.16 0.00 0.00 179.01 178.64 1yhu h ASP 18 N 0.33 0.39 0.00 1.42 3.58 0.13 -3.16 116.42 119.11 1yhu h ASP 18 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1yhu h ASP 18 Cb 1.14 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1yhu h ASP 18 CO -0.13 0.25 -0.84 1.33 -2.88 0.00 0.00 179.24 176.97 1yhu n VAL 19 N -4.47 0.00 -3.24 2.25 0.24 -0.08 -4.87 118.33 108.15 1yhu n VAL 19 Ca 0.08 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 61.90 1yhu n VAL 19 Cb 0.29 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 1yhu n VAL 19 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1yhu n TRP 20 N -1.46 -1.03 -4.17 6.34 -0.00 0.19 -4.88 117.44 112.43 1yhu n TRP 20 Ca -0.00 -3.20 -0.22 0.00 -0.00 0.00 0.00 57.50 54.08 1yhu n TRP 20 Cb 0.14 0.18 -0.06 0.00 -0.00 0.00 0.00 31.31 31.58 1yhu n TRP 20 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1yhu s SER 21 N -0.44 5.08 0.53 5.87 1.04 -1.22 -4.60 113.70 119.95 1yhu s SER 21 Ca 0.34 -0.45 0.26 0.00 0.48 0.00 0.00 55.95 56.58 1yhu s SER 21 Cb 0.10 -1.12 1.41 0.00 0.10 0.00 0.00 66.02 66.51 1yhu s SER 21 CO -0.16 -0.05 1.77 0.00 0.98 0.00 0.00 173.24 175.77 1yhu h ALA 22 N 1.64 1.22 -2.01 5.32 0.00 -2.00 -2.91 119.26 120.53 1yhu h ALA 22 Ca -0.46 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 1yhu h ALA 22 Cb 1.24 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.67 1yhu h ALA 22 CO 0.61 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 1yhu n ALA 23 N -1.81 4.79 -2.00 0.00 0.00 -1.26 -4.90 120.51 115.33 1yhu n ALA 23 Ca -0.02 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.68 1yhu n ALA 23 Cb 0.29 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1yhu n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu n ALA 24 N 0.54 0.00 -3.64 0.00 0.00 -1.10 -5.11 120.51 111.21 1yhu n ALA 24 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1yhu n ALA 24 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1yhu n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu s ALA 25 N -2.54 -2.11 0.47 0.00 0.00 -1.26 -5.01 121.76 111.31 1yhu s ALA 25 Ca 0.00 1.96 0.22 0.00 0.00 0.00 0.00 51.96 54.14 1yhu s ALA 25 Cb 0.00 -1.57 1.23 0.00 0.00 0.00 0.00 23.12 22.78 1yhu s ALA 25 CO 0.00 -0.26 1.90 0.00 0.00 0.00 0.00 175.76 177.40 1yhu h ALA 26 N 4.68 2.40 -0.08 0.00 0.00 -2.00 -0.72 119.26 123.55 1yhu h ALA 26 Ca -0.28 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1yhu h ALA 26 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1yhu h ALA 26 CO 0.15 -0.65 -0.71 0.00 0.00 0.00 0.00 179.25 178.04 1yhu h ALA 27 N 1.62 0.64 -0.09 0.00 0.00 -2.00 -2.90 119.26 116.53 1yhu h ALA 27 Ca 0.41 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1yhu h ALA 27 Cb 1.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1yhu h ALA 27 CO -0.10 0.76 -0.12 1.03 0.00 0.00 0.00 179.25 180.83 1yhu h SER 28 N 0.25 0.26 -0.66 0.00 0.87 -1.54 -2.24 113.55 110.50 1yhu h SER 28 Ca -0.03 -0.51 0.07 0.00 -1.23 0.00 0.00 61.79 60.10 1yhu h SER 28 Cb 1.27 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 1yhu h SER 28 CO 0.12 0.72 0.33 0.03 -0.53 0.00 0.00 176.83 177.50 1yhu h ARG 29 N -0.19 0.58 0.36 2.24 3.08 -1.51 -1.27 114.38 117.67 1yhu h ARG 29 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1yhu h ARG 29 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1yhu h ARG 29 CO 0.03 0.38 -0.19 0.28 -1.07 0.00 0.00 179.97 179.40 1yhu h VAL 30 N 0.60 0.61 -0.71 2.04 2.07 -1.48 -2.39 116.25 116.99 1yhu h VAL 30 Ca 0.31 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.89 1yhu h VAL 30 Cb 0.27 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1yhu h VAL 30 CO -0.23 0.00 0.41 0.28 0.02 0.00 0.00 177.57 178.05 1yhu h SER 31 N -0.51 0.61 -0.32 0.57 0.02 -0.94 0.51 113.55 113.50 1yhu h SER 31 Ca -0.04 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1yhu h SER 31 Cb 0.40 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1yhu h SER 31 CO 0.06 0.40 0.05 0.00 -1.14 0.00 0.00 176.83 176.20 1yhu h ALA 32 N 1.36 0.33 0.07 3.77 0.00 -1.11 0.17 119.26 123.85 1yhu h ALA 32 Ca 0.31 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1yhu h ALA 32 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yhu h ALA 32 CO -0.18 -0.36 -0.03 0.78 0.00 0.00 0.00 179.25 179.46 1yhu h GLY 33 N 0.16 -0.09 -0.18 0.00 0.00 -0.82 -0.82 103.07 101.32 1yhu h GLY 33 Ca 0.15 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1yhu h GLY 33 CO -0.21 -0.03 -0.43 -2.09 0.00 0.00 0.00 176.54 173.78 1yhu h GLU 34 N -0.28 -0.38 -0.43 4.80 4.22 0.38 -0.85 114.58 122.03 1yhu h GLU 34 Ca -0.01 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1yhu h GLU 34 Cb 0.25 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1yhu h GLU 34 CO 0.01 -0.25 0.17 0.93 -2.18 0.00 0.00 179.01 177.70 1yhu h GLU 35 N -0.39 0.35 -0.16 1.92 4.39 -0.91 0.20 114.58 119.98 1yhu h GLU 35 Ca 0.11 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.84 1yhu h GLU 35 Cb 0.60 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 1yhu h GLU 35 CO -0.51 0.23 -0.24 0.28 -1.16 0.00 0.00 179.01 177.61 1yhu h VAL 36 N 0.36 0.41 -0.09 3.13 2.07 -0.19 -0.76 116.25 121.18 1yhu h VAL 36 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1yhu h VAL 36 Cb 0.16 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1yhu h VAL 36 CO -0.18 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.13 1yhu h PHE 37 N -0.30 0.18 -0.86 1.57 -1.00 -0.87 0.84 116.94 116.52 1yhu h PHE 37 Ca 0.11 -0.04 0.21 0.00 2.81 0.00 0.00 57.97 61.06 1yhu h PHE 37 Cb 0.46 -0.05 -0.13 0.00 3.61 0.00 0.00 35.95 39.85 1yhu h PHE 37 CO -0.36 0.47 0.30 0.00 -1.61 0.00 0.00 178.31 177.12 1yhu h ALA 38 N 0.68 1.28 -0.20 2.45 0.00 -0.79 0.71 119.26 123.40 1yhu h ALA 38 Ca 0.02 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1yhu h ALA 38 Cb 0.41 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yhu h ALA 38 CO 0.01 -0.38 -0.60 0.00 0.00 0.00 0.00 179.25 178.28 1yhu h ALA 39 N 1.71 0.57 0.00 0.00 0.00 -1.01 -1.37 119.26 119.16 1yhu h ALA 39 Ca 0.53 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yhu h ALA 39 Cb 1.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yhu h ALA 39 CO -0.56 0.70 -0.07 1.25 0.00 0.00 0.00 179.25 180.56 1yhu h LEU 40 N 0.49 0.00 0.05 0.00 7.12 0.27 -2.70 115.31 120.54 1yhu h LEU 40 Ca -0.00 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.72 1yhu h LEU 40 Cb 1.18 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 1yhu h LEU 40 CO 0.12 0.07 -1.59 0.49 -0.13 0.00 0.00 178.44 177.40 1yhu n PHE 41 N -3.38 1.10 0.05 1.25 0.99 0.18 -3.27 117.46 114.37 1yhu n PHE 41 Ca -0.01 0.36 0.17 0.00 -0.00 0.00 0.00 57.45 57.96 1yhu n PHE 41 Cb 0.23 -1.13 0.66 0.00 -1.00 0.00 0.00 39.48 38.24 1yhu n PHE 41 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1yhu h LYS 42 N -0.56 0.03 -0.21 -1.08 3.64 -1.20 0.12 116.57 117.31 1yhu h LYS 42 Ca -0.39 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.89 1yhu h LYS 42 Cb 1.61 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1yhu h LYS 42 CO -0.09 0.02 -0.27 1.98 -2.27 0.00 0.00 179.45 178.82 1yhu h MET 43 N 0.04 0.56 -2.18 1.90 4.05 -1.61 -3.40 114.93 114.28 1yhu h MET 43 Ca 0.20 -0.32 -0.51 0.00 -0.28 0.00 0.00 59.70 58.78 1yhu h MET 43 Cb 0.74 0.02 -0.35 0.00 -0.80 0.00 0.00 31.60 31.21 1yhu h MET 43 CO -0.01 0.92 -0.88 0.08 0.23 0.00 0.00 176.91 177.25 1yhu s VAL 44 N -4.24 0.08 0.32 -5.77 1.01 -0.18 -4.97 120.40 106.66 1yhu s VAL 44 Ca -0.13 -2.17 0.36 0.00 0.00 0.00 0.00 61.98 60.04 1yhu s VAL 44 Cb 0.07 -1.02 0.37 0.00 0.00 0.00 0.00 36.38 35.79 1yhu s VAL 44 CO 0.80 -0.99 2.10 1.55 0.00 0.00 0.00 175.10 178.56 1yhu h PRO 45 N 5.87 0.00 0.00 2.72 0.13 -1.08 -0.30 132.00 139.34 1yhu h PRO 45 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1yhu h PRO 45 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yhu h PRO 45 CO 0.29 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.06 1yhu n ALA 46 N -1.97 1.57 0.10 -0.56 0.00 -1.26 -1.78 120.51 116.61 1yhu n ALA 46 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1yhu n ALA 46 Cb 0.08 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1yhu n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yhu n ALA 47 N -1.22 2.93 -0.13 0.00 0.00 -0.12 -4.49 120.51 117.48 1yhu n ALA 47 Ca 0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1yhu n ALA 47 Cb 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.70 1yhu n ALA 47 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1yhu h LYS 48 N 0.00 -0.07 0.00 0.00 1.57 -1.53 -0.24 116.57 116.30 1yhu h LYS 48 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yhu h LYS 48 Cb 0.95 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1yhu h LYS 48 CO 0.00 -0.05 0.00 0.27 -0.57 0.00 0.00 179.45 179.10 1yhu n ASN 49 N -5.36 0.00 0.02 0.86 0.23 -1.26 -1.35 115.26 108.39 1yhu n ASN 49 Ca 0.03 -0.03 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 1yhu n ASN 49 Cb 0.27 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.84 1yhu n ASN 49 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1yhu n LEU 50 N -0.50 0.21 -1.28 -4.53 7.94 -0.10 -4.19 117.00 114.54 1yhu n LEU 50 Ca 0.00 0.07 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 1yhu n LEU 50 Cb 0.00 -0.01 0.20 0.00 0.53 0.00 0.00 43.42 44.14 1yhu n LEU 50 CO 0.00 -0.04 0.77 0.49 -1.11 0.00 0.00 177.39 177.50 1yhu n PHE 51 N -2.35 1.34 -0.19 1.96 3.01 -0.46 -4.69 117.46 116.08 1yhu n PHE 51 Ca -0.03 -1.56 0.06 0.00 1.01 0.00 0.00 57.45 56.93 1yhu n PHE 51 Cb 0.56 -0.54 0.34 0.00 -0.01 0.00 0.00 39.48 39.84 1yhu n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yhu h THR 52 N 1.11 1.03 0.00 4.37 1.03 -1.73 -1.83 112.91 116.89 1yhu h THR 52 Ca 0.25 -0.27 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 1yhu h THR 52 Cb 1.80 0.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.06 1yhu h THR 52 CO 0.47 0.14 -0.07 -0.09 -0.01 0.00 0.00 175.52 175.97 1yhu h ARG 53 N 0.79 0.00 -1.29 0.00 2.43 -1.93 -3.01 114.38 111.37 1yhu h ARG 53 Ca 0.32 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.82 1yhu h ARG 53 Cb 0.24 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.46 1yhu h ARG 53 CO -0.10 0.07 0.38 1.33 -1.51 0.00 0.00 179.97 180.13 1yhu n VAL 54 N -4.23 3.24 -4.03 0.20 0.24 -0.71 -4.91 118.33 108.13 1yhu n VAL 54 Ca -0.03 -3.83 -0.33 0.00 -2.04 0.00 0.00 64.34 58.12 1yhu n VAL 54 Cb 0.15 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.32 1yhu n VAL 54 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1yhu n ASN 55 N -0.72 -3.84 0.15 -1.34 4.13 -1.13 -2.56 115.26 109.95 1yhu n ASN 55 Ca 0.54 -0.87 0.11 0.00 1.68 0.00 0.00 54.58 56.04 1yhu n ASN 55 Cb 0.60 -3.12 0.55 0.00 -1.54 0.00 0.00 39.78 36.28 1yhu n ASN 55 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1yhu n VAL 56 N -4.42 1.04 -0.27 2.41 3.14 -1.07 -0.91 118.33 118.26 1yhu n VAL 56 Ca 0.06 0.65 0.10 0.00 -2.96 0.00 0.00 64.34 62.20 1yhu n VAL 56 Cb 0.50 -1.64 0.35 0.00 -1.06 0.00 0.00 33.84 31.99 1yhu n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yhu h ALA 57 N 2.04 1.76 -3.04 1.55 0.00 -1.86 -3.25 119.26 116.47 1yhu h ALA 57 Ca 0.00 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.30 1yhu h ALA 57 Cb 0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.29 1yhu h ALA 57 CO 0.00 0.02 -0.71 0.34 0.00 0.00 0.00 179.25 178.90 1yhu s ASP 58 N -5.85 3.80 0.48 0.00 3.68 -0.09 -5.00 116.67 113.69 1yhu s ASP 58 Ca -0.10 -2.93 0.31 0.00 2.13 0.00 0.00 52.55 51.96 1yhu s ASP 58 Cb 0.21 -1.21 1.41 0.00 -1.45 0.00 0.00 42.92 41.89 1yhu s ASP 58 CO 0.79 -0.22 1.72 0.40 0.13 0.00 0.00 175.17 177.99 1yhu h ILE 59 N 5.12 0.32 -0.21 4.11 2.04 -1.70 0.57 117.51 127.76 1yhu h ILE 59 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1yhu h ILE 59 Cb 0.89 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1yhu h ILE 59 CO 0.55 0.02 0.00 -0.46 0.00 0.00 0.00 178.15 178.27 1yhu n ASN 60 N -4.41 1.15 -4.80 1.72 0.23 -1.26 -3.97 115.26 103.91 1yhu n ASN 60 Ca 0.31 -1.98 -0.32 0.00 -0.53 0.00 0.00 54.58 52.06 1yhu n ASN 60 Cb 1.28 -0.14 0.03 0.00 -2.08 0.00 0.00 39.78 38.88 1yhu n ASN 60 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1yhu s SER 61 N -1.03 5.48 0.09 0.53 1.04 0.20 -4.82 113.70 115.18 1yhu s SER 61 Ca 0.15 1.78 -0.21 0.00 0.48 0.00 0.00 55.95 58.16 1yhu s SER 61 Cb 0.08 -2.52 -0.11 0.00 0.10 0.00 0.00 66.02 63.57 1yhu s SER 61 CO 0.11 -1.37 1.67 1.55 0.98 0.00 0.00 173.24 176.17 1yhu h PRO 62 N -0.06 0.19 -0.65 4.02 0.13 -1.90 0.61 132.00 134.34 1yhu h PRO 62 Ca -0.46 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 1yhu h PRO 62 Cb 1.22 -0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1yhu h PRO 62 CO 0.56 0.23 -0.07 0.93 -0.23 0.00 0.00 178.00 179.42 1yhu h GLU 63 N 0.10 0.06 -0.04 0.86 3.07 -1.93 0.43 114.58 117.13 1yhu h GLU 63 Ca 0.05 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1yhu h GLU 63 Cb 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1yhu h GLU 63 CO -0.01 0.04 -0.23 0.35 -1.40 0.00 0.00 179.01 177.77 1yhu h PHE 64 N 0.06 0.31 -0.86 4.33 3.57 -1.28 -2.20 116.94 120.87 1yhu h PHE 64 Ca 0.33 -0.14 0.17 0.00 3.53 0.00 0.00 57.97 61.87 1yhu h PHE 64 Cb 0.54 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 1yhu h PHE 64 CO -0.45 0.86 0.42 1.96 -2.23 0.00 0.00 178.31 178.87 1yhu h GLN 65 N -0.34 0.52 -0.66 1.11 4.20 -0.28 0.35 115.11 120.03 1yhu h GLN 65 Ca -0.02 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1yhu h GLN 65 Cb 0.89 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1yhu h GLN 65 CO 0.05 0.35 0.41 0.78 -0.67 0.00 0.00 178.83 179.74 1yhu h GLY 66 N 0.54 0.94 0.97 3.46 0.00 -0.05 -1.24 103.07 107.69 1yhu h GLY 66 Ca 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1yhu h GLY 66 CO -0.42 0.27 -0.19 0.84 0.00 0.00 0.00 176.54 177.03 1yhu h HIS 67 N 0.81 -0.50 -0.61 5.60 -0.00 0.21 -2.21 115.15 118.44 1yhu h HIS 67 Ca 0.26 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.74 1yhu h HIS 67 Cb 0.01 0.16 -0.12 0.00 -0.00 0.00 0.00 27.41 27.46 1yhu h HIS 67 CO -0.05 -0.29 -0.18 0.28 -0.00 0.00 0.00 177.93 177.70 1yhu h VAL 68 N -0.57 0.35 -0.58 5.26 2.07 -0.44 0.28 116.25 122.62 1yhu h VAL 68 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1yhu h VAL 68 Cb 0.43 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1yhu h VAL 68 CO 0.09 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.57 1yhu h VAL 69 N -0.02 0.97 -1.01 2.57 2.07 -1.03 -0.96 116.25 118.83 1yhu h VAL 69 Ca 0.29 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1yhu h VAL 69 Cb 0.47 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 1yhu h VAL 69 CO -0.64 0.11 0.63 0.03 0.02 0.00 0.00 177.57 177.71 1yhu h ARG 70 N 0.59 0.88 0.11 1.57 3.08 -0.34 0.39 114.38 120.66 1yhu h ARG 70 Ca 0.25 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1yhu h ARG 70 Cb 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1yhu h ARG 70 CO -0.16 0.58 -0.05 0.28 -1.07 0.00 0.00 179.97 179.54 1yhu h VAL 71 N 0.90 0.98 -0.13 2.04 2.07 -0.48 -1.82 116.25 119.82 1yhu h VAL 71 Ca 0.53 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1yhu h VAL 71 Cb 0.66 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1yhu h VAL 71 CO -0.32 0.09 -0.17 0.24 0.02 0.00 0.00 177.57 177.43 1yhu h MET 72 N -0.31 -0.21 -0.66 1.57 2.86 -0.52 -0.16 114.93 117.50 1yhu h MET 72 Ca -0.02 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 1yhu h MET 72 Cb 0.26 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.85 1yhu h MET 72 CO 0.02 -0.14 -0.06 0.78 1.06 0.00 0.00 176.91 178.58 1yhu h GLY 73 N -0.21 0.63 0.76 8.32 0.00 -0.87 0.14 103.07 111.83 1yhu h GLY 73 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1yhu h GLY 73 CO -0.26 -0.24 -0.41 -1.33 0.00 0.00 0.00 176.54 174.31 1yhu h GLY 74 N 0.07 -1.06 0.25 4.60 0.00 -0.34 0.12 103.07 106.71 1yhu h GLY 74 Ca 0.34 0.46 0.18 0.00 0.00 0.00 0.00 47.33 48.31 1yhu h GLY 74 CO -0.61 -0.36 0.61 -2.00 0.00 0.00 0.00 176.54 174.18 1yhu h LEU 75 N -0.95 0.70 0.92 3.11 5.85 -0.31 -0.64 115.31 123.99 1yhu h LEU 75 Ca -0.07 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1yhu h LEU 75 Cb 0.79 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1yhu h LEU 75 CO 0.04 0.28 -0.44 -0.78 -0.34 0.00 0.00 178.44 177.20 1yhu h ASP 76 N 0.70 -1.04 -0.98 1.25 -0.00 -0.13 -0.01 116.42 116.20 1yhu h ASP 76 Ca 0.53 0.03 0.19 0.00 -0.00 0.00 0.00 57.03 57.79 1yhu h ASP 76 Cb 0.90 0.27 -0.18 0.00 -0.00 0.00 0.00 39.33 40.32 1yhu h ASP 76 CO -0.30 -0.71 -0.26 0.40 -0.00 0.00 0.00 179.24 178.37 1yhu h ILE 77 N -1.30 0.02 0.04 2.25 2.04 0.37 0.13 117.51 121.06 1yhu h ILE 77 Ca -0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1yhu h ILE 77 Cb 0.95 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1yhu h ILE 77 CO 0.21 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.27 1yhu h LEU 78 N -0.00 -0.04 -0.97 1.44 3.38 -0.97 -1.06 115.31 117.09 1yhu h LEU 78 Ca 0.46 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.66 1yhu h LEU 78 Cb 0.70 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.28 1yhu h LEU 78 CO -1.01 -0.03 -0.13 -0.38 0.09 0.00 0.00 178.44 176.99 1yhu n ILE 79 N -2.15 -0.41 0.03 1.22 5.41 -0.04 -0.09 119.36 123.35 1yhu n ILE 79 Ca -0.01 2.19 -0.05 0.00 1.00 0.00 0.00 62.75 65.88 1yhu n ILE 79 Cb 0.02 -3.10 0.15 0.00 -0.71 0.00 0.00 39.64 36.00 1yhu n ILE 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1yhu h ASN 80 N 0.00 0.46 -0.29 4.38 4.21 -0.76 -2.64 115.58 120.93 1yhu h ASN 80 Ca 0.52 -0.20 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 1yhu h ASN 80 Cb 0.93 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.98 1yhu h ASN 80 CO -0.96 0.82 0.04 0.00 -1.29 0.00 0.00 177.43 176.04 1yhu n ALA 81 N -2.49 3.25 0.28 -0.83 0.00 0.88 -4.18 120.51 117.42 1yhu n ALA 81 Ca -0.02 -0.95 0.16 0.00 0.00 0.00 0.00 53.44 52.63 1yhu n ALA 81 Cb 0.51 -1.08 0.78 0.00 0.00 0.00 0.00 19.45 19.66 1yhu n ALA 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yhu h LEU 82 N 1.73 0.00 0.00 0.00 3.38 -0.99 -2.66 115.31 116.77 1yhu h LEU 82 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1yhu h LEU 82 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1yhu h LEU 82 CO 0.27 0.08 -0.76 -0.78 0.09 0.00 0.00 178.44 177.34 1yhu h ASP 83 N 0.00 0.00 -3.33 -0.43 3.58 -1.83 -3.39 116.42 111.02 1yhu h ASP 83 Ca -0.00 0.00 -0.79 0.00 0.42 0.00 0.00 57.03 56.66 1yhu h ASP 83 Cb 0.37 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.12 1yhu h ASP 83 CO 0.01 0.53 0.45 -0.67 -2.88 0.00 0.00 179.24 176.67 1yhu n ASP 84 N -3.13 5.56 -0.34 2.28 -0.08 -1.00 -4.94 116.55 114.90 1yhu n ASP 84 Ca -0.01 -3.16 0.11 0.00 -1.51 0.00 0.00 54.79 50.22 1yhu n ASP 84 Cb 0.76 -1.29 0.24 0.00 2.34 0.00 0.00 41.12 43.17 1yhu n ASP 84 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1yhu h ILE 85 N 3.62 0.05 0.00 5.18 2.10 -1.75 -1.45 117.51 125.26 1yhu h ILE 85 Ca 0.18 -0.01 -0.05 0.00 1.08 0.00 0.00 64.86 66.06 1yhu h ILE 85 Cb 0.79 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.54 1yhu h ILE 85 CO 1.08 0.00 -0.26 1.55 -1.08 0.00 0.00 178.15 179.44 1yhu h PRO 86 N 0.02 0.00 0.16 2.19 0.13 -1.92 -2.73 132.00 129.84 1yhu h PRO 86 Ca 0.55 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.36 1yhu h PRO 86 Cb 1.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1yhu h PRO 86 CO -0.92 0.26 -1.57 1.15 -0.23 0.00 0.00 178.00 176.69 1yhu h THR 87 N 0.00 1.14 -0.05 1.56 2.02 -1.63 -3.18 112.91 112.77 1yhu h THR 87 Ca -0.00 -2.72 0.01 0.00 0.77 0.00 0.00 66.41 64.47 1yhu h THR 87 Cb 0.55 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1yhu h THR 87 CO 0.03 0.83 0.04 0.25 0.37 0.00 0.00 175.52 177.05 1yhu h LEU 88 N 0.09 0.00 0.46 2.58 5.85 -1.24 -0.74 115.31 122.31 1yhu h LEU 88 Ca -0.27 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1yhu h LEU 88 Cb 2.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1yhu h LEU 88 CO 0.19 0.00 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.62 1yhu h GLU 89 N 0.00 -0.73 -0.78 1.25 4.39 -1.47 0.92 114.58 118.16 1yhu h GLU 89 Ca 0.02 0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.92 1yhu h GLU 89 Cb 0.11 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 28.83 1yhu h GLU 89 CO -0.00 -0.49 0.33 0.77 -1.16 0.00 0.00 179.01 178.46 1yhu h SER 90 N -0.76 0.31 -0.26 1.42 0.02 -1.45 0.17 113.55 113.01 1yhu h SER 90 Ca -0.06 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1yhu h SER 90 Cb 0.63 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 1yhu h SER 90 CO 0.03 0.11 -0.42 0.24 -1.14 0.00 0.00 176.83 175.65 1yhu h MET 91 N 0.46 -0.32 0.39 3.45 2.07 -0.70 -0.68 114.93 119.60 1yhu h MET 91 Ca 0.43 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 58.08 1yhu h MET 91 Cb 0.67 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.45 1yhu h MET 91 CO -0.41 -0.22 -0.45 -0.07 1.07 0.00 0.00 176.91 176.83 1yhu h LEU 92 N -0.34 -1.27 -0.81 1.22 3.38 0.61 -2.39 115.31 115.72 1yhu h LEU 92 Ca 0.05 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1yhu h LEU 92 Cb 0.46 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 1yhu h LEU 92 CO -0.42 -0.58 -0.34 0.47 0.09 0.00 0.00 178.44 177.66 1yhu n ASP 93 N -5.15 -0.57 0.08 -0.43 10.43 0.47 0.23 116.55 121.60 1yhu n ASP 93 Ca -0.10 1.42 -0.06 0.00 2.57 0.00 0.00 54.79 58.62 1yhu n ASP 93 Cb 0.40 -0.30 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 1yhu n ASP 93 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 1yhu h HIS 94 N 0.00 -0.49 -0.95 1.24 2.76 -0.93 -0.52 115.15 116.27 1yhu h HIS 94 Ca 0.26 0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.70 1yhu h HIS 94 Cb 0.46 0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.48 1yhu h HIS 94 CO -0.73 -0.22 0.46 -0.07 -1.30 0.00 0.00 177.93 176.07 1yhu h LEU 95 N -0.32 0.39 0.49 0.26 3.38 -0.54 0.41 115.31 119.38 1yhu h LEU 95 Ca -0.02 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1yhu h LEU 95 Cb 0.29 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1yhu h LEU 95 CO -0.04 -0.06 -0.47 0.00 0.09 0.00 0.00 178.44 177.96 1yhu h ALA 96 N 1.77 -1.14 -0.59 1.53 0.00 0.31 -0.82 119.26 120.32 1yhu h ALA 96 Ca 0.63 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.48 1yhu h ALA 96 Cb 1.31 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 1yhu h ALA 96 CO -0.57 -1.16 -0.08 0.78 0.00 0.00 0.00 179.25 178.22 1yhu h GLY 97 N -0.96 0.52 1.53 0.00 0.00 0.63 0.73 103.07 105.53 1yhu h GLY 97 Ca -0.06 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1yhu h GLY 97 CO -0.05 -0.21 0.18 1.46 0.00 0.00 0.00 176.54 177.92 1yhu h GLN 98 N 0.05 0.00 0.03 4.80 4.20 -0.52 -2.30 115.11 121.38 1yhu h GLN 98 Ca 0.30 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.62 1yhu h GLN 98 Cb 0.47 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1yhu h GLN 98 CO -0.57 0.00 -2.34 0.72 -0.67 0.00 0.00 178.83 175.97 1yhu n HIS 99 N -3.88 0.34 -0.01 2.96 8.25 0.69 -4.09 115.22 119.48 1yhu n HIS 99 Ca 0.01 0.08 0.21 0.00 -0.26 0.00 0.00 57.72 57.76 1yhu n HIS 99 Cb 0.31 -1.04 0.70 0.00 1.12 0.00 0.00 29.99 31.07 1yhu n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yhu h ALA 100 N -0.03 2.51 0.00 -1.41 0.00 0.59 0.11 119.26 121.03 1yhu h ALA 100 Ca -0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1yhu h ALA 100 Cb 1.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1yhu h ALA 100 CO -0.06 -0.68 0.00 -0.24 0.00 0.00 0.00 179.25 178.27 1yhu h VAL 101 N 0.00 0.00 -2.49 0.00 3.04 -1.60 -3.41 116.25 111.79 1yhu h VAL 101 Ca 0.26 -0.88 -0.58 0.00 -1.01 0.00 0.00 66.70 64.50 1yhu h VAL 101 Cb 1.05 1.87 -0.11 0.00 -2.01 0.00 0.00 31.29 32.10 1yhu h VAL 101 CO -0.00 0.00 0.85 -0.13 -1.01 0.00 0.00 177.57 177.28 1yhu s ARG 102 N -3.27 3.16 -0.10 4.17 1.81 0.40 -4.96 118.95 120.16 1yhu s ARG 102 Ca 0.06 -0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 1yhu s ARG 102 Cb 0.06 -4.20 -0.07 0.00 -0.45 0.00 0.00 34.95 30.29 1yhu s ARG 102 CO 0.64 -2.01 2.09 -0.25 -0.68 0.00 0.00 175.30 175.09 1yhu n ASP 103 N 8.71 3.66 0.00 0.23 8.00 -1.26 -2.47 116.55 133.42 1yhu n ASP 103 Ca 0.00 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1yhu n ASP 103 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1yhu n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhu n GLY 104 N 5.17 1.91 3.67 0.44 0.00 -1.26 -5.09 105.19 110.03 1yhu n GLY 104 Ca 0.25 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1yhu n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhu s VAL 105 N -0.33 3.35 0.08 1.61 -7.23 -1.03 -4.99 120.40 111.86 1yhu s VAL 105 Ca 0.00 0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 60.66 1yhu s VAL 105 Cb 0.00 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1yhu s VAL 105 CO 0.00 -0.04 0.25 0.28 -0.31 0.00 0.00 175.10 175.28 1yhu s THR 106 N 3.89 5.34 -1.95 5.32 -1.32 -1.26 -4.90 115.64 120.77 1yhu s THR 106 Ca 0.77 -0.32 0.07 0.00 -1.21 0.00 0.00 61.69 61.00 1yhu s THR 106 Cb -0.37 -3.64 0.19 0.00 -1.51 0.00 0.00 72.50 67.18 1yhu s THR 106 CO 0.33 0.10 0.89 0.61 -2.21 0.00 0.00 174.62 174.35 1yhu n GLY 107 N 0.19 -0.24 0.01 6.08 0.00 -1.26 -0.21 105.19 109.76 1yhu n GLY 107 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1yhu n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhu n ALA 108 N -1.03 2.70 -0.13 4.61 0.00 -1.26 -4.22 120.51 121.18 1yhu n ALA 108 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1yhu n ALA 108 Cb 0.03 -0.20 0.20 0.00 0.00 0.00 0.00 19.45 19.48 1yhu n ALA 108 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yhu h GLY 109 N 1.27 0.89 0.93 0.00 0.00 -0.97 -1.64 103.07 103.54 1yhu h GLY 109 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1yhu h GLY 109 CO 0.00 0.46 -0.10 0.74 0.00 0.00 0.00 176.54 177.64 1yhu h PHE 110 N 0.80 0.74 -0.82 5.60 -1.00 -1.75 -2.21 116.94 118.30 1yhu h PHE 110 Ca 0.18 -0.17 0.19 0.00 2.81 0.00 0.00 57.97 60.98 1yhu h PHE 110 Cb 0.25 -0.18 -0.12 0.00 3.61 0.00 0.00 35.95 39.52 1yhu h PHE 110 CO 0.02 0.84 0.29 1.96 -1.61 0.00 0.00 178.31 179.80 1yhu h GLN 111 N 0.44 0.34 0.23 1.51 7.50 -1.49 0.75 115.11 124.38 1yhu h GLN 111 Ca 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 1yhu h GLN 111 Cb 0.61 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1yhu h GLN 111 CO 0.04 0.23 -0.11 -0.07 -1.50 0.00 0.00 178.83 177.41 1yhu h LEU 112 N 0.35 -0.26 -0.53 1.46 3.38 -1.09 -2.22 115.31 116.40 1yhu h LEU 112 Ca 0.49 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.53 1yhu h LEU 112 Cb 0.87 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1yhu h LEU 112 CO -0.51 -0.14 -0.27 -0.03 0.09 0.00 0.00 178.44 177.58 1yhu h MET 113 N -0.35 -0.13 -0.04 1.13 4.05 -0.33 -1.15 114.93 118.10 1yhu h MET 113 Ca -0.03 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1yhu h MET 113 Cb 0.27 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1yhu h MET 113 CO 0.05 -0.09 -0.33 0.00 0.23 0.00 0.00 176.91 176.78 1yhu h ALA 114 N 1.14 -0.75 -1.12 0.39 0.00 -0.79 0.12 119.26 118.25 1yhu h ALA 114 Ca 0.24 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.45 1yhu h ALA 114 Cb 0.51 0.81 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1yhu h ALA 114 CO -0.61 -0.85 0.69 1.15 0.00 0.00 0.00 179.25 179.63 1yhu h THR 115 N -0.38 0.28 0.29 0.00 2.02 -0.75 0.42 112.91 114.78 1yhu h THR 115 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1yhu h THR 115 Cb 0.43 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1yhu h THR 115 CO -0.24 0.04 -0.14 0.58 0.37 0.00 0.00 175.52 176.14 1yhu h VAL 116 N 0.25 0.73 -0.73 3.16 2.07 0.17 -0.85 116.25 121.04 1yhu h VAL 116 Ca 0.74 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.77 1yhu h VAL 116 Cb 1.97 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 32.70 1yhu h VAL 116 CO -0.47 0.12 0.36 -0.07 0.02 0.00 0.00 177.57 177.53 1yhu h LEU 117 N -0.72 0.47 -0.65 2.57 3.38 0.32 -1.16 115.31 119.52 1yhu h LEU 117 Ca -0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yhu h LEU 117 Cb 0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1yhu h LEU 117 CO 0.07 0.25 0.36 0.24 0.09 0.00 0.00 178.44 179.45 1yhu h MET 118 N 0.60 0.90 0.00 1.13 2.86 -0.91 0.46 114.93 119.97 1yhu h MET 118 Ca 0.37 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1yhu h MET 118 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1yhu h MET 118 CO -0.29 0.68 0.00 1.05 1.06 0.00 0.00 176.91 179.41 1yhu h GLU 119 N 0.88 0.00 0.00 1.72 4.11 -0.36 -3.35 114.58 117.58 1yhu h GLU 119 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1yhu h GLU 119 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1yhu h GLU 119 CO -0.04 0.00 -0.35 -1.13 0.07 0.00 0.00 179.01 177.56 1yhu n SER 120 N -2.59 1.28 -0.14 3.06 3.41 -0.51 -4.69 113.62 113.43 1yhu n SER 120 Ca 0.04 -0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.16 1yhu n SER 120 Cb 0.40 1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 65.37 1yhu n SER 120 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yhu h LEU 121 N 0.00 0.60 -1.52 1.04 5.85 -0.22 -2.46 115.31 118.60 1yhu h LEU 121 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1yhu h LEU 121 Cb 0.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1yhu h LEU 121 CO 0.00 0.63 0.04 1.55 -0.34 0.00 0.00 178.44 180.33 1yhu h PRO 122 N 0.53 0.00 -0.20 5.25 0.13 -1.81 0.37 132.00 136.27 1yhu h PRO 122 Ca 0.14 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 1yhu h PRO 122 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1yhu h PRO 122 CO -0.01 0.00 -0.57 1.96 -0.23 0.00 0.00 178.00 179.16 1yhu h GLN 123 N 0.00 0.73 0.03 0.86 1.08 -1.73 -3.36 115.11 112.71 1yhu h GLN 123 Ca 0.00 -0.52 -0.37 0.00 -1.45 0.00 0.00 58.65 56.30 1yhu h GLN 123 Cb 0.09 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1yhu h GLN 123 CO 0.00 1.15 -2.28 1.33 -0.95 0.00 0.00 178.83 178.07 1yhu n VAL 124 N -4.09 1.54 -2.03 -0.54 0.24 -0.01 -4.99 118.33 108.46 1yhu n VAL 124 Ca -0.06 -0.68 -0.34 0.00 -2.04 0.00 0.00 64.34 61.22 1yhu n VAL 124 Cb 0.63 -1.22 0.02 0.00 -1.47 0.00 0.00 33.84 31.81 1yhu n VAL 124 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yhu s VAL 125 N -2.53 3.25 0.00 3.34 1.01 0.11 -4.96 120.40 120.62 1yhu s VAL 125 Ca -0.23 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1yhu s VAL 125 Cb 0.08 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1yhu s VAL 125 CO 0.71 -0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.93 1yhu n GLU 126 N -1.82 0.00 -1.22 2.72 -0.58 -1.26 -4.44 120.64 114.04 1yhu n GLU 126 Ca 0.11 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 1yhu n GLU 126 Cb 0.52 -0.06 -0.04 0.00 -0.57 0.00 0.00 31.44 31.29 1yhu n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yhu n GLY 127 N 2.02 4.09 2.49 0.62 0.00 -1.26 -4.99 105.19 108.17 1yhu n GLY 127 Ca 0.00 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1yhu n GLY 127 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yhu n PHE 128 N 0.87 0.37 -3.93 1.61 7.35 -1.26 -4.95 117.46 117.52 1yhu n PHE 128 Ca 0.41 0.75 -0.33 0.00 -0.76 0.00 0.00 57.45 57.52 1yhu n PHE 128 Cb 0.60 -1.48 -0.14 0.00 0.35 0.00 0.00 39.48 38.81 1yhu n PHE 128 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1yhu s ASN 129 N -0.07 4.90 0.32 -2.13 3.84 -1.26 -4.98 114.94 115.56 1yhu s ASN 129 Ca 0.63 -2.20 -0.00 0.00 0.21 0.00 0.00 52.86 51.50 1yhu s ASN 129 Cb -0.88 -1.70 0.53 0.00 -0.55 0.00 0.00 41.25 38.65 1yhu s ASN 129 CO 0.41 -0.42 1.99 1.55 -2.79 0.00 0.00 177.10 177.83 1yhu h PRO 130 N 7.65 0.98 0.85 0.43 0.13 -1.98 -1.85 132.00 138.21 1yhu h PRO 130 Ca -0.07 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1yhu h PRO 130 Cb 1.02 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1yhu h PRO 130 CO 0.59 0.65 -0.41 -0.44 -0.23 0.00 0.00 178.00 178.16 1yhu h ASP 131 N 1.01 -0.96 -0.79 1.44 5.19 -1.98 0.64 116.42 120.95 1yhu h ASP 131 Ca 0.27 0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.86 1yhu h ASP 131 Cb -0.11 0.25 -0.09 0.00 0.18 0.00 0.00 39.33 39.56 1yhu h ASP 131 CO -0.06 -0.65 0.36 0.00 -3.12 0.00 0.00 179.24 175.78 1yhu h ALA 132 N -1.40 1.16 -0.30 3.45 0.00 -1.89 0.12 119.26 120.40 1yhu h ALA 132 Ca -0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1yhu h ALA 132 Cb 0.87 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1yhu h ALA 132 CO 0.19 -0.15 0.09 -1.49 0.00 0.00 0.00 179.25 177.89 1yhu h TRP 133 N 0.53 0.48 -0.44 0.00 4.06 -1.10 -1.59 115.95 117.89 1yhu h TRP 133 Ca 0.43 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.33 1yhu h TRP 133 Cb 0.63 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1yhu h TRP 133 CO -0.13 0.50 0.25 0.00 -3.56 0.00 0.00 178.44 175.51 1yhu h ALA 134 N 0.93 0.56 -0.87 1.49 0.00 0.15 0.56 119.26 122.07 1yhu h ALA 134 Ca 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1yhu h ALA 134 Cb 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1yhu h ALA 134 CO -0.00 0.07 0.55 0.77 0.00 0.00 0.00 179.25 180.64 1yhu h SER 135 N 0.58 0.89 0.32 0.00 0.02 -0.65 -2.07 113.55 112.65 1yhu h SER 135 Ca 0.16 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.78 1yhu h SER 135 Cb 0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1yhu h SER 135 CO -0.03 0.60 -1.70 0.00 -1.14 0.00 0.00 176.83 174.56 1yhu h LEU 137 N 0.07 -0.47 -1.86 0.00 6.46 0.18 -2.93 115.31 116.76 1yhu h LEU 137 Ca -0.31 -0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.46 1yhu h LEU 137 Cb 2.04 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 42.07 1yhu h LEU 137 CO 0.14 -0.16 0.31 0.00 -0.62 0.00 0.00 178.44 178.12 1yhu h ALA 138 N -0.31 2.22 -0.56 1.25 0.00 -1.56 0.42 119.26 120.72 1yhu h ALA 138 Ca -0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1yhu h ALA 138 Cb 0.53 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1yhu h ALA 138 CO 0.09 -0.33 0.28 0.78 0.00 0.00 0.00 179.25 180.07 1yhu h GLY 139 N 0.15 0.79 0.45 0.00 0.00 -1.60 -2.38 103.07 100.49 1yhu h GLY 139 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1yhu h GLY 139 CO -0.03 0.10 -1.73 0.29 0.00 0.00 0.00 176.54 175.17 1yhu n ILE 140 N -4.88 0.68 0.06 2.60 -5.35 -0.02 -3.43 119.36 109.02 1yhu n ILE 140 Ca 0.06 -0.62 0.03 0.00 -0.27 0.00 0.00 62.75 61.94 1yhu n ILE 140 Cb 0.17 -0.34 0.41 0.00 -1.74 0.00 0.00 39.64 38.13 1yhu n ILE 140 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yhu h ALA 141 N 1.67 1.60 -0.06 -1.28 0.00 -0.25 -0.85 119.26 120.09 1yhu h ALA 141 Ca -0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1yhu h ALA 141 Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1yhu h ALA 141 CO 0.02 0.31 -0.65 0.00 0.00 0.00 0.00 179.25 178.92 1yhu h ALA 142 N 1.68 0.79 0.15 0.00 0.00 -1.54 -2.84 119.26 117.51 1yhu h ALA 142 Ca 0.09 -0.57 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1yhu h ALA 142 Cb 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1yhu h ALA 142 CO -0.00 0.76 -1.29 0.00 0.00 0.00 0.00 179.25 178.72 1yhu h ALA 143 N 1.16 -0.00 -0.42 0.00 0.00 -1.37 -3.32 119.26 115.30 1yhu h ALA 143 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1yhu h ALA 143 Cb 1.18 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1yhu h ALA 143 CO 0.10 0.74 0.14 0.82 0.00 0.00 0.00 179.25 181.05 1yhu h ILE 144 N 0.21 1.21 -1.85 0.00 2.04 -1.23 -3.28 117.51 114.61 1yhu h ILE 144 Ca -0.19 -0.70 -0.76 0.00 1.00 0.00 0.00 64.86 64.22 1yhu h ILE 144 Cb 1.97 0.88 -0.17 0.00 -0.74 0.00 0.00 36.82 38.76 1yhu h ILE 144 CO 0.24 0.25 1.64 -1.54 0.00 0.00 0.00 178.15 178.74 1yhu n SER 145 N -4.59 5.24 -3.17 1.72 3.41 -1.07 -3.80 113.62 111.36 1yhu n SER 145 Ca 0.00 -3.08 -0.34 0.00 -0.26 0.00 0.00 58.87 55.19 1yhu n SER 145 Cb 0.17 -1.49 -0.00 0.00 -0.26 0.00 0.00 64.21 62.63 1yhu n SER 145 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1yhu n SER 146 N 4.30 6.05 0.00 4.04 2.88 -1.24 -4.87 113.62 124.78 1yhu n SER 146 Ca 0.37 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1yhu n SER 146 Cb 0.38 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1yhu n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yhu n ALA 147 N -0.23 0.00 -0.77 -1.46 0.00 -1.26 -5.04 120.51 111.74 1yhu n ALA 147 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1yhu n ALA 147 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1yhu n ALA 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39