#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 5.51 -2.54 0.00 0.00 -1.26 -4.86 120.51 117.35 1yhu n ALA 2 Ca 0.00 -3.72 -0.26 0.00 0.00 0.00 0.00 53.44 49.46 1yhu n ALA 2 Cb 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.93 4.09 0.21 0.00 4.22 -1.26 -4.67 114.94 114.59 1yhu s ASN 3 Ca 0.56 -1.23 -0.11 0.00 -2.14 0.00 0.00 52.86 49.94 1yhu s ASN 3 Cb 0.44 -0.44 -0.01 0.00 1.28 0.00 0.00 41.25 42.53 1yhu s ASN 3 CO 0.00 -0.46 0.37 0.00 -2.04 0.00 0.00 177.10 174.98 1yhu n ALA 5 N -0.30 -2.56 -0.36 0.00 0.00 -1.26 -4.63 120.51 111.40 1yhu n ALA 5 Ca -0.04 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1yhu n ALA 5 Cb 0.63 -1.55 0.17 0.00 0.00 0.00 0.00 19.45 18.71 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 0.31 0.99 0.14 0.00 -0.00 -1.99 0.88 116.42 116.74 1yhu h ASP 6 Ca -0.39 0.02 -0.18 0.00 -0.00 0.00 0.00 57.03 56.47 1yhu h ASP 6 Cb 1.43 -0.19 0.02 0.00 -0.00 0.00 0.00 39.33 40.59 1yhu h ASP 6 CO 0.46 0.62 -0.79 0.00 -0.00 0.00 0.00 179.24 179.53 1yhu h ALA 7 N 1.45 -0.08 -0.57 -0.78 0.00 -1.99 -2.08 119.26 115.20 1yhu h ALA 7 Ca 0.43 -0.70 0.15 0.00 0.00 0.00 0.00 54.91 54.80 1yhu h ALA 7 Cb 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1yhu h ALA 7 CO -0.18 0.37 0.40 0.00 0.00 0.00 0.00 179.25 179.84 1yhu h ALA 8 N 0.08 2.43 0.05 0.00 0.00 -1.82 -0.53 119.26 119.46 1yhu h ALA 8 Ca -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yhu h ALA 8 Cb 1.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yhu h ALA 8 CO 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 179.25 178.78 1yhu h ALA 9 N 1.72 -0.07 -0.97 0.00 0.00 -0.79 -3.03 119.26 116.12 1yhu h ALA 9 Ca 0.27 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.12 1yhu h ALA 9 Cb 0.98 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1yhu h ALA 9 CO -0.02 -0.24 0.62 0.00 0.00 0.00 0.00 179.25 179.62 1yhu h ALA 10 N 0.21 2.11 0.43 0.00 0.00 -0.40 -0.89 119.26 120.71 1yhu h ALA 10 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 10 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yhu h ALA 10 CO 0.01 -0.44 -0.21 0.82 0.00 0.00 0.00 179.25 179.43 1yhu h ILE 11 N 0.48 0.56 -0.66 0.00 1.08 -1.27 -2.03 117.51 115.67 1yhu h ILE 11 Ca 0.53 -0.24 0.11 0.00 -0.39 0.00 0.00 64.86 64.87 1yhu h ILE 11 Cb 1.21 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 1yhu h ILE 11 CO -0.25 0.04 0.25 0.58 -0.69 0.00 0.00 178.15 178.08 1yhu h VAL 12 N -0.72 0.72 -0.07 1.67 2.07 -1.11 -1.62 116.25 117.19 1yhu h VAL 12 Ca -0.06 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1yhu h VAL 12 Cb 0.52 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1yhu h VAL 12 CO 0.10 0.08 -0.27 1.56 0.02 0.00 0.00 177.57 179.05 1yhu h GLN 13 N 0.42 -0.28 -0.58 1.57 1.08 -1.02 0.71 115.11 117.01 1yhu h GLN 13 Ca 0.35 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.68 1yhu h GLN 13 Cb 0.46 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.85 1yhu h GLN 13 CO -0.35 -0.19 -0.24 0.00 -0.95 0.00 0.00 178.83 177.10 1yhu h ALA 14 N -0.87 0.17 0.05 3.87 0.00 -0.92 0.55 119.26 122.11 1yhu h ALA 14 Ca 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1yhu h ALA 14 Cb 0.34 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yhu h ALA 14 CO -0.22 -0.55 -0.03 1.96 0.00 0.00 0.00 179.25 180.41 1yhu h GLN 15 N -0.10 -0.07 -0.04 0.00 4.20 -0.80 0.18 115.11 118.49 1yhu h GLN 15 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1yhu h GLN 15 Cb 0.51 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1yhu h GLN 15 CO -0.64 -0.00 0.02 2.35 -0.67 0.00 0.00 178.83 179.89 1yhu h TRP 16 N -0.12 0.04 -0.82 2.96 2.91 0.13 -1.30 115.95 119.75 1yhu h TRP 16 Ca -0.01 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.21 1yhu h TRP 16 Cb 0.10 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.68 1yhu h TRP 16 CO -0.06 0.03 0.56 0.93 -1.03 0.00 0.00 178.44 178.86 1yhu h GLU 17 N 0.05 0.29 -0.48 2.65 4.39 0.21 0.13 114.58 121.83 1yhu h GLU 17 Ca 0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1yhu h GLU 17 Cb -0.00 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1yhu h GLU 17 CO -0.01 0.19 0.32 0.22 -1.16 0.00 0.00 179.01 178.57 1yhu h ASP 18 N 0.30 0.42 0.00 1.42 3.58 0.26 -3.18 116.42 119.22 1yhu h ASP 18 Ca 0.41 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1yhu h ASP 18 Cb 1.16 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1yhu h ASP 18 CO -0.12 0.29 -0.86 1.33 -2.88 0.00 0.00 179.24 177.00 1yhu n VAL 19 N -4.48 0.00 -3.24 2.25 0.24 -0.02 -4.87 118.33 108.20 1yhu n VAL 19 Ca 0.06 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 61.88 1yhu n VAL 19 Cb 0.18 0.65 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.48 -1.10 -4.20 6.34 -0.00 0.26 -4.87 117.44 112.39 1yhu n TRP 20 Ca -0.00 -3.16 -0.22 0.00 -0.00 0.00 0.00 57.50 54.12 1yhu n TRP 20 Cb 0.16 0.22 -0.06 0.00 -0.00 0.00 0.00 31.31 31.63 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 -0.37 4.99 0.54 5.87 1.04 -1.23 -4.59 113.70 119.95 1yhu s SER 21 Ca 0.33 -0.48 0.26 0.00 0.48 0.00 0.00 55.95 56.55 1yhu s SER 21 Cb 0.09 -1.09 1.44 0.00 0.10 0.00 0.00 66.02 66.56 1yhu s SER 21 CO -0.16 -0.04 1.78 0.00 0.98 0.00 0.00 173.24 175.81 1yhu h ALA 22 N 1.68 1.22 -2.00 5.32 0.00 -2.00 -2.89 119.26 120.60 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 1.25 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 4.82 -2.00 0.00 0.00 -1.26 -4.90 120.51 115.35 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 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.49 0.00 -3.64 0.00 0.00 -1.09 -5.11 120.51 111.15 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 19.74 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 -2.62 -2.11 0.48 0.00 0.00 -1.26 -5.01 121.76 111.24 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 1.25 0.00 0.00 0.00 0.00 23.12 22.80 1yhu s ALA 25 CO 0.00 -0.26 1.91 0.00 0.00 0.00 0.00 175.76 177.42 1yhu h ALA 26 N 4.66 2.42 -0.20 0.00 0.00 -2.00 -0.93 119.26 123.21 1yhu h ALA 26 Ca -0.28 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1yhu h ALA 26 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yhu h ALA 26 CO 0.14 -0.64 -0.58 0.00 0.00 0.00 0.00 179.25 178.18 1yhu h ALA 27 N 1.63 0.62 -0.05 0.00 0.00 -2.00 -2.95 119.26 116.51 1yhu h ALA 27 Ca 0.38 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1yhu h ALA 27 Cb 1.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1yhu h ALA 27 CO -0.08 0.69 -0.05 1.03 0.00 0.00 0.00 179.25 180.85 1yhu h SER 28 N 0.47 0.13 -0.72 0.00 0.87 -1.58 -2.43 113.55 110.30 1yhu h SER 28 Ca 0.00 -0.48 0.10 0.00 -1.23 0.00 0.00 61.79 60.18 1yhu h SER 28 Cb 1.14 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 1yhu h SER 28 CO 0.11 0.58 0.36 0.03 -0.53 0.00 0.00 176.83 177.38 1yhu h ARG 29 N -0.31 0.58 0.54 2.24 3.08 -1.51 -1.23 114.38 117.76 1yhu h ARG 29 Ca 0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1yhu h ARG 29 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1yhu h ARG 29 CO 0.01 0.38 -0.26 0.28 -1.07 0.00 0.00 179.97 179.31 1yhu h VAL 30 N 0.60 0.46 -0.74 2.04 2.07 -1.51 -2.38 116.25 116.79 1yhu h VAL 30 Ca 0.36 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.96 1yhu h VAL 30 Cb 0.40 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1yhu h VAL 30 CO -0.28 0.00 0.41 0.28 0.02 0.00 0.00 177.57 177.99 1yhu h SER 31 N -0.73 0.58 -0.39 0.57 0.02 -0.96 0.69 113.55 113.33 1yhu h SER 31 Ca -0.07 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1yhu h SER 31 Cb 0.56 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 1yhu h SER 31 CO 0.12 0.35 0.09 0.00 -1.14 0.00 0.00 176.83 176.24 1yhu h ALA 32 N 1.41 0.43 0.13 3.77 0.00 -1.12 0.71 119.26 124.58 1yhu h ALA 32 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1yhu h ALA 32 Cb 0.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yhu h ALA 32 CO -0.23 -0.31 -0.06 0.78 0.00 0.00 0.00 179.25 179.43 1yhu h GLY 33 N 0.22 -0.18 -0.23 0.00 0.00 -0.72 -0.74 103.07 101.42 1yhu h GLY 33 Ca 0.19 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.63 1yhu h GLY 33 CO -0.23 -0.06 -0.49 -2.09 0.00 0.00 0.00 176.54 173.66 1yhu h GLU 34 N -0.41 -0.42 -0.50 4.80 4.22 0.72 -0.76 114.58 122.23 1yhu h GLU 34 Ca -0.02 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.52 1yhu h GLU 34 Cb 0.33 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1yhu h GLU 34 CO 0.03 -0.28 0.19 0.93 -2.18 0.00 0.00 179.01 177.69 1yhu h GLU 35 N -0.44 0.36 -0.29 1.92 4.39 -0.83 0.16 114.58 119.86 1yhu h GLU 35 Ca 0.09 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1yhu h GLU 35 Cb 0.62 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 1yhu h GLU 35 CO -0.52 0.24 -0.13 0.28 -1.16 0.00 0.00 179.01 177.73 1yhu h VAL 36 N 0.37 0.59 -0.11 3.13 2.07 -0.20 -0.93 116.25 121.17 1yhu h VAL 36 Ca 0.24 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 1yhu h VAL 36 Cb 0.24 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1yhu h VAL 36 CO -0.23 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 176.95 1yhu h PHE 37 N -0.08 0.37 -0.81 1.57 -1.00 -0.77 0.20 116.94 116.42 1yhu h PHE 37 Ca 0.15 -0.12 0.18 0.00 2.81 0.00 0.00 57.97 60.99 1yhu h PHE 37 Cb 0.31 -0.07 -0.12 0.00 3.61 0.00 0.00 35.95 39.68 1yhu h PHE 37 CO -0.32 0.74 0.27 0.00 -1.61 0.00 0.00 178.31 177.38 1yhu h ALA 38 N 0.57 1.15 -0.27 2.45 0.00 -0.80 0.64 119.26 123.00 1yhu h ALA 38 Ca 0.01 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 38 Cb 0.69 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1yhu h ALA 38 CO 0.03 -0.33 -0.49 0.00 0.00 0.00 0.00 179.25 178.47 1yhu h ALA 39 N 1.65 0.62 0.00 0.00 0.00 -1.12 -1.01 119.26 119.41 1yhu h ALA 39 Ca 0.47 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yhu h ALA 39 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1yhu h ALA 39 CO -0.52 0.68 -0.07 1.25 0.00 0.00 0.00 179.25 180.59 1yhu h LEU 40 N 0.59 0.00 0.02 0.00 7.12 0.19 -2.66 115.31 120.57 1yhu h LEU 40 Ca 0.03 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.79 1yhu h LEU 40 Cb 1.06 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 1yhu h LEU 40 CO 0.10 0.07 -1.36 -0.26 -0.13 0.00 0.00 178.44 176.86 1yhu h PHE 41 N 0.00 0.09 -0.62 1.25 0.05 0.37 -3.20 116.94 114.89 1yhu h PHE 41 Ca -0.00 -0.06 0.16 0.00 3.82 0.00 0.00 57.97 61.89 1yhu h PHE 41 Cb 0.31 -0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.23 1yhu h PHE 41 CO 0.00 1.53 0.43 -0.22 -0.18 0.00 0.00 178.31 179.88 1yhu h LYS 42 N -0.82 0.11 -0.27 1.51 3.64 -1.15 0.26 116.57 119.85 1yhu h LYS 42 Ca -0.35 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.88 1yhu h LYS 42 Cb 1.43 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1yhu h LYS 42 CO -0.16 0.07 -0.36 1.98 -2.27 0.00 0.00 179.45 178.72 1yhu h MET 43 N 0.11 0.72 -2.06 1.90 4.05 -1.61 -3.40 114.93 114.64 1yhu h MET 43 Ca 0.30 -0.41 -0.48 0.00 -0.28 0.00 0.00 59.70 58.82 1yhu h MET 43 Cb 1.02 0.03 -0.33 0.00 -0.80 0.00 0.00 31.60 31.52 1yhu h MET 43 CO -0.03 1.03 -0.85 0.08 0.23 0.00 0.00 176.91 177.37 1yhu s VAL 44 N -4.24 -0.00 0.19 -5.77 1.01 0.34 -4.97 120.40 106.96 1yhu s VAL 44 Ca -0.12 -2.15 0.33 0.00 0.00 0.00 0.00 61.98 60.03 1yhu s VAL 44 Cb 0.09 -0.94 0.33 0.00 0.00 0.00 0.00 36.38 35.85 1yhu s VAL 44 CO 0.84 -0.93 2.00 1.55 0.00 0.00 0.00 175.10 178.56 1yhu h PRO 45 N 5.66 0.00 0.00 2.72 0.13 -0.86 -0.30 132.00 139.35 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 0.28 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 1yhu n ALA 46 N -1.92 1.55 0.10 -0.56 0.00 -1.26 -1.90 120.51 116.51 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 0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.29 2.89 -0.14 0.00 0.00 -0.12 -4.49 120.51 117.36 1yhu n ALA 47 Ca 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 1yhu n ALA 47 Cb 0.06 -0.83 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 -0.06 0.00 0.00 1.57 -1.56 0.04 116.57 116.57 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 0.96 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1yhu h LYS 48 CO 0.00 -0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.11 1yhu n ASN 49 N -5.36 0.00 0.01 0.86 0.23 -1.26 -1.44 115.26 108.29 1yhu n ASN 49 Ca 0.03 -0.08 0.11 0.00 -0.53 0.00 0.00 54.58 54.11 1yhu n ASN 49 Cb 0.27 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.51 0.27 -1.21 -4.53 7.94 0.00 -4.20 117.00 114.75 1yhu n LEU 50 Ca 0.00 0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.86 1yhu n LEU 50 Cb 0.00 -0.02 0.20 0.00 0.53 0.00 0.00 43.42 44.13 1yhu n LEU 50 CO 0.00 -0.01 0.72 0.49 -1.11 0.00 0.00 177.39 177.48 1yhu n PHE 51 N -2.24 1.18 -0.28 1.96 3.01 -0.52 -4.69 117.46 115.87 1yhu n PHE 51 Ca -0.02 -1.59 0.03 0.00 1.01 0.00 0.00 57.45 56.87 1yhu n PHE 51 Cb 0.54 -0.51 0.24 0.00 -0.01 0.00 0.00 39.48 39.73 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 1.04 1.12 -0.05 4.37 1.03 -1.73 -2.02 112.91 116.66 1yhu h THR 52 Ca 0.24 -0.36 0.02 0.00 -0.01 0.00 0.00 66.41 66.29 1yhu h THR 52 Cb 1.71 -0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1yhu h THR 52 CO 0.42 0.19 0.04 -0.09 -0.01 0.00 0.00 175.52 176.07 1yhu h ARG 53 N 1.04 0.00 -1.28 0.00 2.43 -1.93 -2.97 114.38 111.67 1yhu h ARG 53 Ca 0.35 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.85 1yhu h ARG 53 Cb 0.08 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.30 1yhu h ARG 53 CO -0.11 0.00 0.40 1.33 -1.51 0.00 0.00 179.97 180.07 1yhu n VAL 54 N -4.40 3.25 -4.01 0.20 0.24 -0.79 -4.90 118.33 107.92 1yhu n VAL 54 Ca -0.02 -3.80 -0.33 0.00 -2.04 0.00 0.00 64.34 58.16 1yhu n VAL 54 Cb 0.14 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.31 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 -3.92 0.20 -1.34 4.13 -1.12 -2.46 115.26 110.02 1yhu n ASN 55 Ca 0.54 -0.85 0.13 0.00 1.68 0.00 0.00 54.58 56.08 1yhu n ASN 55 Cb 0.61 -3.18 0.70 0.00 -1.54 0.00 0.00 39.78 36.37 1yhu n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1yhu h VAL 56 N -1.63 0.00 -0.95 2.41 3.04 -1.64 -0.20 116.25 117.28 1yhu h VAL 56 Ca -0.57 -0.03 0.15 0.00 -1.01 0.00 0.00 66.70 65.24 1yhu h VAL 56 Cb 1.37 0.63 -0.08 0.00 -2.01 0.00 0.00 31.29 31.20 1yhu h VAL 56 CO 0.71 0.00 0.60 0.00 -1.01 0.00 0.00 177.57 177.88 1yhu h ALA 57 N 2.02 1.71 -3.07 3.17 0.00 -1.86 -3.25 119.26 117.98 1yhu h ALA 57 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 1yhu h ALA 57 Cb 0.04 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.28 1yhu h ALA 57 CO 0.00 0.02 -0.70 0.34 0.00 0.00 0.00 179.25 178.91 1yhu s ASP 58 N -5.68 3.85 0.47 0.00 3.68 -0.09 -5.00 116.67 113.91 1yhu s ASP 58 Ca -0.11 -2.90 0.30 0.00 2.13 0.00 0.00 52.55 51.97 1yhu s ASP 58 Cb 0.23 -1.24 1.38 0.00 -1.45 0.00 0.00 42.92 41.84 1yhu s ASP 58 CO 0.80 -0.23 1.74 0.40 0.13 0.00 0.00 175.17 178.00 1yhu h ILE 59 N 5.18 0.36 -0.17 4.11 2.04 -1.70 0.53 117.51 127.87 1yhu h ILE 59 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1yhu h ILE 59 Cb 0.90 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1yhu h ILE 59 CO 0.56 0.03 0.00 -0.46 0.00 0.00 0.00 178.15 178.28 1yhu n ASN 60 N -4.43 0.97 -4.79 1.72 0.23 -1.26 -3.96 115.26 103.73 1yhu n ASN 60 Ca 0.29 -1.93 -0.33 0.00 -0.53 0.00 0.00 54.58 52.08 1yhu n ASN 60 Cb 1.21 -0.11 0.02 0.00 -2.08 0.00 0.00 39.78 38.82 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 -1.09 5.55 0.10 0.53 1.04 0.19 -4.83 113.70 115.19 1yhu s SER 61 Ca 0.15 1.86 -0.21 0.00 0.48 0.00 0.00 55.95 58.23 1yhu s SER 61 Cb 0.08 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.56 1yhu s SER 61 CO 0.11 -1.33 1.73 1.55 0.98 0.00 0.00 173.24 176.28 1yhu h PRO 62 N 0.23 0.18 -0.64 4.02 0.13 -1.90 0.70 132.00 134.72 1yhu h PRO 62 Ca -0.47 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1yhu h PRO 62 Cb 1.23 -0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1yhu h PRO 62 CO 0.56 0.16 -0.07 0.93 -0.23 0.00 0.00 178.00 179.35 1yhu h GLU 63 N 0.15 0.06 -0.02 0.86 3.07 -1.92 0.47 114.58 117.24 1yhu h GLU 63 Ca 0.05 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1yhu h GLU 63 Cb 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1yhu h GLU 63 CO -0.01 0.04 -0.06 0.35 -1.40 0.00 0.00 179.01 177.93 1yhu h PHE 64 N 0.06 0.11 -0.86 4.33 3.57 -1.22 -2.09 116.94 120.84 1yhu h PHE 64 Ca 0.32 -0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.97 1yhu h PHE 64 Cb 0.52 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.13 1yhu h PHE 64 CO -0.44 0.67 0.37 1.96 -2.23 0.00 0.00 178.31 178.65 1yhu h GLN 65 N -0.49 0.43 -0.77 1.11 4.20 -0.21 0.67 115.11 120.05 1yhu h GLN 65 Ca -0.00 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1yhu h GLN 65 Cb 0.67 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1yhu h GLN 65 CO 0.01 0.29 0.50 0.78 -0.67 0.00 0.00 178.83 179.74 1yhu h GLY 66 N 0.44 1.11 0.94 3.46 0.00 0.01 -1.40 103.07 107.63 1yhu h GLY 66 Ca 0.51 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1yhu h GLY 66 CO -0.48 0.34 -0.19 0.84 0.00 0.00 0.00 176.54 177.06 1yhu h HIS 67 N 0.99 -0.50 -0.57 5.60 -0.00 0.92 -2.27 115.15 119.33 1yhu h HIS 67 Ca 0.30 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.77 1yhu h HIS 67 Cb -0.03 0.16 -0.11 0.00 -0.00 0.00 0.00 27.41 27.43 1yhu h HIS 67 CO -0.03 -0.27 -0.24 0.28 -0.00 0.00 0.00 177.93 177.67 1yhu h VAL 68 N -0.61 0.28 -0.45 5.26 2.07 -0.38 0.24 116.25 122.66 1yhu h VAL 68 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1yhu h VAL 68 Cb 0.45 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1yhu h VAL 68 CO 0.09 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.38 1yhu h VAL 69 N -0.10 0.80 -0.99 2.57 2.07 -1.15 -0.29 116.25 119.15 1yhu h VAL 69 Ca 0.26 -0.09 0.20 0.00 0.82 0.00 0.00 66.70 67.88 1yhu h VAL 69 Cb 0.50 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.68 1yhu h VAL 69 CO -0.63 0.05 0.61 0.03 0.02 0.00 0.00 177.57 177.65 1yhu h ARG 70 N 0.27 0.67 0.04 1.57 3.08 -0.36 0.87 114.38 120.51 1yhu h ARG 70 Ca 0.22 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1yhu h ARG 70 Cb 0.25 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1yhu h ARG 70 CO -0.26 0.45 -0.02 0.28 -1.07 0.00 0.00 179.97 179.35 1yhu h VAL 71 N 0.69 1.17 -0.13 2.04 2.07 -0.39 -1.90 116.25 119.80 1yhu h VAL 71 Ca 0.56 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1yhu h VAL 71 Cb 0.97 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1yhu h VAL 71 CO -0.35 0.16 -0.17 0.24 0.02 0.00 0.00 177.57 177.48 1yhu h MET 72 N -0.33 -0.20 -0.72 1.57 2.86 -0.20 -0.21 114.93 117.70 1yhu h MET 72 Ca -0.00 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.81 1yhu h MET 72 Cb 0.31 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.89 1yhu h MET 72 CO 0.01 -0.14 -0.01 0.78 1.06 0.00 0.00 176.91 178.61 1yhu h GLY 73 N -0.21 0.76 0.99 8.32 0.00 -0.81 0.13 103.07 112.25 1yhu h GLY 73 Ca 0.10 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1yhu h GLY 73 CO -0.25 -0.26 -0.32 -1.33 0.00 0.00 0.00 176.54 174.38 1yhu h GLY 74 N 0.10 -0.91 0.19 4.60 0.00 -0.42 0.57 103.07 107.20 1yhu h GLY 74 Ca 0.38 0.34 0.16 0.00 0.00 0.00 0.00 47.33 48.22 1yhu h GLY 74 CO -0.63 -0.33 0.49 -2.00 0.00 0.00 0.00 176.54 174.06 1yhu h LEU 75 N -0.87 0.60 0.85 3.11 5.85 -0.25 -0.58 115.31 124.02 1yhu h LEU 75 Ca -0.08 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1yhu h LEU 75 Cb 0.67 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1yhu h LEU 75 CO 0.13 0.24 -0.50 -0.78 -0.34 0.00 0.00 178.44 177.19 1yhu h ASP 76 N 0.66 -1.25 -0.97 1.25 -0.00 -0.37 0.14 116.42 115.89 1yhu h ASP 76 Ca 0.50 0.06 0.22 0.00 -0.00 0.00 0.00 57.03 57.82 1yhu h ASP 76 Cb 0.73 0.36 -0.18 0.00 -0.00 0.00 0.00 39.33 40.23 1yhu h ASP 76 CO -0.37 -0.78 -0.14 0.40 -0.00 0.00 0.00 179.24 178.35 1yhu h ILE 77 N -1.25 0.03 0.06 2.25 2.04 0.19 0.15 117.51 120.99 1yhu h ILE 77 Ca -0.11 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1yhu h ILE 77 Cb 0.99 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1yhu h ILE 77 CO 0.13 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.18 1yhu h LEU 78 N 0.01 -0.07 -0.98 1.44 3.38 -0.75 -1.18 115.31 117.17 1yhu h LEU 78 Ca 0.51 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.70 1yhu h LEU 78 Cb 0.90 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 1yhu h LEU 78 CO -0.97 -0.04 -0.19 -0.38 0.09 0.00 0.00 178.44 176.96 1yhu n ILE 79 N -2.26 -0.41 0.01 1.22 5.41 0.45 -0.05 119.36 123.73 1yhu n ILE 79 Ca -0.01 2.21 -0.04 0.00 1.00 0.00 0.00 62.75 65.91 1yhu n ILE 79 Cb 0.03 -3.10 0.18 0.00 -0.71 0.00 0.00 39.64 36.04 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 0.50 -0.28 4.38 4.21 -0.75 -2.69 115.58 120.95 1yhu h ASN 80 Ca 0.49 -0.19 -0.02 0.00 1.21 0.00 0.00 56.30 57.80 1yhu h ASN 80 Cb 0.82 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 1yhu h ASN 80 CO -0.99 0.78 0.02 0.00 -1.29 0.00 0.00 177.43 175.96 1yhu n ALA 81 N -2.49 3.20 0.27 -0.83 0.00 0.93 -4.19 120.51 117.41 1yhu n ALA 81 Ca -0.01 -0.91 0.14 0.00 0.00 0.00 0.00 53.44 52.66 1yhu n ALA 81 Cb 0.44 -1.07 0.77 0.00 0.00 0.00 0.00 19.45 19.58 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 1.77 0.00 0.00 0.00 3.38 -1.02 -2.63 115.31 116.81 1yhu h LEU 82 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1yhu h LEU 82 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1yhu h LEU 82 CO 0.25 0.09 -0.64 -0.78 0.09 0.00 0.00 178.44 177.45 1yhu h ASP 83 N 0.00 0.00 -3.29 -0.43 3.58 -1.83 -3.39 116.42 111.06 1yhu h ASP 83 Ca -0.00 0.00 -0.77 0.00 0.42 0.00 0.00 57.03 56.67 1yhu h ASP 83 Cb 0.34 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.09 1yhu h ASP 83 CO 0.01 0.41 0.38 -0.67 -2.88 0.00 0.00 179.24 176.49 1yhu n ASP 84 N -3.10 5.40 -0.33 2.28 -0.08 -0.99 -4.94 116.55 114.79 1yhu n ASP 84 Ca -0.00 -3.17 0.15 0.00 -1.51 0.00 0.00 54.79 50.26 1yhu n ASP 84 Cb 0.71 -1.26 0.30 0.00 2.34 0.00 0.00 41.12 43.21 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 3.65 0.07 0.00 5.18 2.10 -1.75 -1.24 117.51 125.52 1yhu h ILE 85 Ca 0.18 -0.01 -0.07 0.00 1.08 0.00 0.00 64.86 66.04 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 1.06 0.01 -0.31 1.55 -1.08 0.00 0.00 178.15 179.37 1yhu h PRO 86 N 0.04 0.00 0.21 2.19 0.13 -1.92 -2.78 132.00 129.87 1yhu h PRO 86 Ca 0.59 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.38 1yhu h PRO 86 Cb 1.23 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.39 1yhu h PRO 86 CO -0.87 0.31 -1.61 1.15 -0.23 0.00 0.00 178.00 176.76 1yhu h THR 87 N 0.00 1.12 -0.28 1.56 2.02 -1.59 -3.18 112.91 112.55 1yhu h THR 87 Ca -0.00 -2.63 0.08 0.00 0.77 0.00 0.00 66.41 64.63 1yhu h THR 87 Cb 0.67 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1yhu h THR 87 CO 0.04 0.84 0.21 0.25 0.37 0.00 0.00 175.52 177.23 1yhu h LEU 88 N 0.12 0.00 0.25 2.58 5.85 -1.27 -0.63 115.31 122.21 1yhu h LEU 88 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1yhu h LEU 88 Cb 2.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1yhu h LEU 88 CO 0.22 0.00 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.74 1yhu h GLU 89 N 0.00 -0.49 -0.94 1.25 4.39 -1.47 0.16 114.58 117.48 1yhu h GLU 89 Ca 0.13 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.08 1yhu h GLU 89 Cb 0.55 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.20 1yhu h GLU 89 CO -0.00 -0.32 0.51 0.77 -1.16 0.00 0.00 179.01 178.80 1yhu h SER 90 N -0.51 0.57 -0.07 1.42 0.02 -1.39 0.19 113.55 113.78 1yhu h SER 90 Ca -0.03 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1yhu h SER 90 Cb 0.44 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1yhu h SER 90 CO -0.03 0.13 -0.50 0.24 -1.14 0.00 0.00 176.83 175.52 1yhu h MET 91 N 0.57 -0.58 0.65 3.45 2.07 -0.38 -0.94 114.93 119.77 1yhu h MET 91 Ca 0.57 0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 58.21 1yhu h MET 91 Cb 1.00 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.86 1yhu h MET 91 CO -0.45 -0.39 -0.43 -0.07 1.07 0.00 0.00 176.91 176.64 1yhu h LEU 92 N -0.60 -1.09 -0.82 1.22 3.38 0.14 -2.38 115.31 115.16 1yhu h LEU 92 Ca 0.04 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1yhu h LEU 92 Cb 0.69 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1yhu h LEU 92 CO -0.39 -0.64 -0.35 0.47 0.09 0.00 0.00 178.44 177.62 1yhu n ASP 93 N -5.10 -0.59 0.07 -0.43 10.43 0.44 0.41 116.55 121.79 1yhu n ASP 93 Ca -0.12 1.43 -0.05 0.00 2.57 0.00 0.00 54.79 58.61 1yhu n ASP 93 Cb 0.43 -0.30 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 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 -0.45 -0.95 1.24 2.76 -1.06 -0.26 115.15 116.44 1yhu h HIS 94 Ca 0.26 0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.70 1yhu h HIS 94 Cb 0.46 0.18 -0.14 0.00 1.55 0.00 0.00 27.41 29.46 1yhu h HIS 94 CO -0.74 -0.20 0.45 -0.07 -1.30 0.00 0.00 177.93 176.07 1yhu h LEU 95 N -0.29 0.37 0.32 0.26 3.38 -0.49 0.52 115.31 119.39 1yhu h LEU 95 Ca -0.01 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1yhu h LEU 95 Cb 0.26 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1yhu h LEU 95 CO -0.04 -0.08 -0.34 0.00 0.09 0.00 0.00 178.44 178.08 1yhu h ALA 96 N 1.79 -1.01 -0.69 1.53 0.00 0.49 -0.85 119.26 120.52 1yhu h ALA 96 Ca 0.64 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.57 1yhu h ALA 96 Cb 1.34 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 19.58 1yhu h ALA 96 CO -0.58 -1.04 -0.11 0.78 0.00 0.00 0.00 179.25 178.30 1yhu h GLY 97 N -0.66 0.59 1.42 0.00 0.00 0.75 0.66 103.07 105.83 1yhu h GLY 97 Ca -0.04 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.54 1yhu h GLY 97 CO -0.05 -0.26 0.22 1.46 0.00 0.00 0.00 176.54 177.92 1yhu h GLN 98 N 0.03 0.00 0.04 4.80 4.20 -0.50 -2.25 115.11 121.42 1yhu h GLN 98 Ca 0.35 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.67 1yhu h GLN 98 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1yhu h GLN 98 CO -0.67 0.00 -2.30 0.72 -0.67 0.00 0.00 178.83 175.91 1yhu n HIS 99 N -3.95 0.40 -0.04 2.96 8.25 0.12 -4.06 115.22 118.89 1yhu n HIS 99 Ca 0.03 0.09 0.21 0.00 -0.26 0.00 0.00 57.72 57.79 1yhu n HIS 99 Cb 0.36 -1.05 0.68 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.08 2.54 0.00 -1.41 0.00 0.42 0.19 119.26 120.91 1yhu h ALA 100 Ca -0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1yhu h ALA 100 Cb 1.89 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1yhu h ALA 100 CO -0.07 -0.71 -0.03 -0.24 0.00 0.00 0.00 179.25 178.20 1yhu h VAL 101 N 0.03 0.05 -2.52 0.00 3.04 -1.59 -3.41 116.25 111.85 1yhu h VAL 101 Ca 0.29 -0.97 -0.57 0.00 -1.01 0.00 0.00 66.70 64.44 1yhu h VAL 101 Cb 1.13 1.92 -0.10 0.00 -2.01 0.00 0.00 31.29 32.23 1yhu h VAL 101 CO -0.01 0.03 0.89 -0.13 -1.01 0.00 0.00 177.57 177.34 1yhu s ARG 102 N -3.29 3.19 -0.08 4.17 1.81 0.65 -4.96 118.95 120.44 1yhu s ARG 102 Ca 0.06 -0.38 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 1yhu s ARG 102 Cb 0.06 -4.18 -0.08 0.00 -0.45 0.00 0.00 34.95 30.30 1yhu s ARG 102 CO 0.65 -2.00 2.07 -0.25 -0.68 0.00 0.00 175.30 175.08 1yhu n ASP 103 N 8.79 3.71 0.00 0.23 8.00 -1.26 -2.54 116.55 133.48 1yhu n ASP 103 Ca 0.01 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1yhu n ASP 103 Cb 0.48 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 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 5.05 1.94 3.66 0.44 0.00 -1.26 -5.08 105.19 109.93 1yhu n GLY 104 Ca 0.25 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.36 3.33 0.08 1.61 -7.23 -1.05 -4.99 120.40 111.79 1yhu s VAL 105 Ca 0.00 0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.57 1yhu s VAL 105 Cb 0.00 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 1yhu s VAL 105 CO 0.00 -0.04 0.26 0.28 -0.31 0.00 0.00 175.10 175.29 1yhu s THR 106 N 4.17 5.33 -2.00 5.32 -1.32 -1.26 -4.89 115.64 120.98 1yhu s THR 106 Ca 0.80 -0.23 0.05 0.00 -1.21 0.00 0.00 61.69 61.09 1yhu s THR 106 Cb -0.37 -3.62 0.14 0.00 -1.51 0.00 0.00 72.50 67.14 1yhu s THR 106 CO 0.35 0.14 0.76 0.61 -2.21 0.00 0.00 174.62 174.26 1yhu n GLY 107 N 0.32 -0.15 0.01 6.08 0.00 -1.26 -0.01 105.19 110.17 1yhu n GLY 107 Ca -0.05 -0.03 0.02 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 -1.00 2.48 -0.16 4.61 0.00 -1.26 -4.23 120.51 120.96 1yhu n ALA 108 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1yhu n ALA 108 Cb 0.02 -0.13 0.21 0.00 0.00 0.00 0.00 19.45 19.54 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 0.87 0.95 0.89 0.00 0.00 -0.82 -1.70 103.07 103.25 1yhu h GLY 109 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1yhu h GLY 109 CO 0.00 0.45 -0.02 0.74 0.00 0.00 0.00 176.54 177.72 1yhu h PHE 110 N 0.87 0.60 -0.77 5.60 -1.00 -1.75 -2.21 116.94 118.28 1yhu h PHE 110 Ca 0.21 -0.11 0.18 0.00 2.81 0.00 0.00 57.97 61.05 1yhu h PHE 110 Cb 0.16 -0.15 -0.12 0.00 3.61 0.00 0.00 35.95 39.45 1yhu h PHE 110 CO 0.01 0.70 0.17 1.96 -1.61 0.00 0.00 178.31 179.54 1yhu h GLN 111 N 0.34 0.23 0.18 1.51 7.50 -1.51 0.14 115.11 123.50 1yhu h GLN 111 Ca 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.22 1yhu h GLN 111 Cb 0.47 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 1yhu h GLN 111 CO 0.02 0.16 -0.12 -0.07 -1.50 0.00 0.00 178.83 177.31 1yhu h LEU 112 N 0.24 -0.31 -0.58 1.46 3.38 -1.05 -2.23 115.31 116.23 1yhu h LEU 112 Ca 0.45 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.55 1yhu h LEU 112 Cb 0.80 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1yhu h LEU 112 CO -0.56 -0.20 -0.23 -0.03 0.09 0.00 0.00 178.44 177.51 1yhu h MET 113 N -0.30 -0.08 0.03 1.13 4.05 -0.21 -0.81 114.93 118.74 1yhu h MET 113 Ca -0.01 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1yhu h MET 113 Cb 0.26 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1yhu h MET 113 CO 0.01 -0.06 -0.33 0.00 0.23 0.00 0.00 176.91 176.76 1yhu h ALA 114 N 1.32 -0.80 -1.10 0.39 0.00 -0.65 -0.34 119.26 118.07 1yhu h ALA 114 Ca 0.26 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.45 1yhu h ALA 114 Cb 0.50 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1yhu h ALA 114 CO -0.63 -0.90 0.68 1.15 0.00 0.00 0.00 179.25 179.54 1yhu h THR 115 N -0.44 0.30 0.34 0.00 2.02 -0.74 0.59 112.91 114.98 1yhu h THR 115 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1yhu h THR 115 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1yhu h THR 115 CO -0.20 0.05 -0.16 0.58 0.37 0.00 0.00 175.52 176.15 1yhu h VAL 116 N 0.27 0.65 -0.70 3.16 2.07 0.29 -0.53 116.25 121.46 1yhu h VAL 116 Ca 0.73 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1yhu h VAL 116 Cb 1.90 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 1yhu h VAL 116 CO -0.48 0.10 0.34 -0.07 0.02 0.00 0.00 177.57 177.47 1yhu h LEU 117 N -0.75 0.42 -0.56 2.57 3.38 0.30 -0.87 115.31 119.81 1yhu h LEU 117 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yhu h LEU 117 Cb 0.51 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1yhu h LEU 117 CO 0.08 0.24 0.33 0.24 0.09 0.00 0.00 178.44 179.42 1yhu h MET 118 N 0.57 0.75 0.00 1.13 2.86 -0.89 0.52 114.93 119.87 1yhu h MET 118 Ca 0.35 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1yhu h MET 118 Cb 0.38 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1yhu h MET 118 CO -0.28 0.55 0.00 1.05 1.06 0.00 0.00 176.91 179.29 1yhu h GLU 119 N 0.75 0.00 0.00 1.72 4.11 -0.37 -3.35 114.58 117.44 1yhu h GLU 119 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1yhu h GLU 119 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1yhu h GLU 119 CO -0.04 0.00 -0.37 -1.13 0.07 0.00 0.00 179.01 177.55 1yhu n SER 120 N -2.62 1.30 -0.13 3.06 3.41 -0.40 -4.69 113.62 113.55 1yhu n SER 120 Ca 0.03 -0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.15 1yhu n SER 120 Cb 0.37 1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 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 0.53 -1.64 1.04 5.85 -0.09 -2.42 115.31 118.59 1yhu h LEU 121 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1yhu h LEU 121 Cb 0.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1yhu h LEU 121 CO 0.00 0.56 0.09 1.55 -0.34 0.00 0.00 178.44 180.30 1yhu h PRO 122 N 0.47 0.00 -0.22 5.25 0.13 -1.81 0.34 132.00 136.15 1yhu h PRO 122 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1yhu h PRO 122 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1yhu h PRO 122 CO -0.01 0.00 -0.45 1.96 -0.23 0.00 0.00 178.00 179.27 1yhu h GLN 123 N 0.00 0.70 0.03 0.86 1.08 -1.72 -3.36 115.11 112.70 1yhu h GLN 123 Ca 0.00 -0.46 -0.37 0.00 -1.45 0.00 0.00 58.65 56.37 1yhu h GLN 123 Cb 0.18 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.61 1yhu h GLN 123 CO 0.00 1.08 -2.27 1.33 -0.95 0.00 0.00 178.83 178.02 1yhu n VAL 124 N -4.17 1.55 -1.91 -0.54 0.24 0.09 -4.98 118.33 108.61 1yhu n VAL 124 Ca -0.05 -0.68 -0.34 0.00 -2.04 0.00 0.00 64.34 61.23 1yhu n VAL 124 Cb 0.57 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.73 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 3.21 0.00 3.34 1.01 0.96 -4.95 120.40 121.43 1yhu s VAL 125 Ca -0.23 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1yhu s VAL 125 Cb 0.08 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1yhu s VAL 125 CO 0.71 -0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.90 1yhu n GLU 126 N -2.07 0.00 -1.14 2.72 -0.58 -1.26 -4.44 120.64 113.88 1yhu n GLU 126 Ca 0.11 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.65 1yhu n GLU 126 Cb 0.52 -0.05 -0.03 0.00 -0.57 0.00 0.00 31.44 31.30 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 2.10 3.98 2.28 0.62 0.00 -1.26 -4.99 105.19 107.93 1yhu n GLY 127 Ca 0.00 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 0.89 0.34 -3.93 1.61 7.35 -1.26 -4.95 117.46 117.51 1yhu n PHE 128 Ca 0.38 0.69 -0.32 0.00 -0.76 0.00 0.00 57.45 57.43 1yhu n PHE 128 Cb 0.60 -1.36 -0.14 0.00 0.35 0.00 0.00 39.48 38.94 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 4.77 0.32 -2.13 3.84 -1.26 -4.97 114.94 115.44 1yhu s ASN 129 Ca 0.58 -2.42 0.03 0.00 0.21 0.00 0.00 52.86 51.25 1yhu s ASN 129 Cb -0.81 -1.69 0.61 0.00 -0.55 0.00 0.00 41.25 38.81 1yhu s ASN 129 CO 0.37 -0.37 1.92 1.55 -2.79 0.00 0.00 177.10 177.78 1yhu h PRO 130 N 7.35 0.90 0.85 0.43 0.13 -1.98 -1.68 132.00 138.00 1yhu h PRO 130 Ca -0.06 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1yhu h PRO 130 Cb 0.99 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 31.92 1yhu h PRO 130 CO 0.61 0.60 -0.41 -0.44 -0.23 0.00 0.00 178.00 178.13 1yhu h ASP 131 N 0.93 -0.97 -0.86 1.44 5.19 -1.98 0.68 116.42 120.84 1yhu h ASP 131 Ca 0.37 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.97 1yhu h ASP 131 Cb 0.26 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 39.92 1yhu h ASP 131 CO -0.14 -0.66 0.44 0.00 -3.12 0.00 0.00 179.24 175.76 1yhu h ALA 132 N -1.42 1.31 -0.31 3.45 0.00 -1.88 0.21 119.26 120.64 1yhu h ALA 132 Ca -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1yhu h ALA 132 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1yhu h ALA 132 CO 0.19 -0.11 0.05 -1.49 0.00 0.00 0.00 179.25 177.89 1yhu h TRP 133 N 0.62 0.54 -0.44 0.00 4.06 -1.06 -1.55 115.95 118.12 1yhu h TRP 133 Ca 0.48 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.34 1yhu h TRP 133 Cb 0.70 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 1yhu h TRP 133 CO -0.09 0.59 0.23 0.00 -3.56 0.00 0.00 178.44 175.61 1yhu h ALA 134 N 0.88 0.56 -0.78 1.49 0.00 0.17 0.42 119.26 122.00 1yhu h ALA 134 Ca 0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yhu h ALA 134 Cb 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1yhu h ALA 134 CO 0.01 0.10 0.48 0.77 0.00 0.00 0.00 179.25 180.60 1yhu h SER 135 N 0.56 0.75 0.29 0.00 0.02 -0.47 -2.04 113.55 112.66 1yhu h SER 135 Ca 0.15 0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.78 1yhu h SER 135 Cb 0.08 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1yhu h SER 135 CO -0.02 0.49 -1.69 0.00 -1.14 0.00 0.00 176.83 174.47 1yhu h LEU 137 N 0.09 -0.59 -1.83 0.00 6.46 -0.10 -2.81 115.31 116.52 1yhu h LEU 137 Ca -0.31 -0.05 0.12 0.00 -0.12 0.00 0.00 57.88 57.52 1yhu h LEU 137 Cb 2.07 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 42.12 1yhu h LEU 137 CO 0.17 -0.31 0.37 0.00 -0.62 0.00 0.00 178.44 178.05 1yhu h ALA 138 N -0.49 2.25 -0.50 1.25 0.00 -1.56 0.43 119.26 120.65 1yhu h ALA 138 Ca -0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1yhu h ALA 138 Cb 0.60 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1yhu h ALA 138 CO 0.12 -0.39 0.22 0.78 0.00 0.00 0.00 179.25 179.98 1yhu h GLY 139 N 0.18 0.69 0.59 0.00 0.00 -1.58 -2.26 103.07 100.69 1yhu h GLY 139 Ca 0.25 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.27 1yhu h GLY 139 CO -0.04 0.07 -1.71 0.29 0.00 0.00 0.00 176.54 175.15 1yhu n ILE 140 N -4.93 0.98 -0.02 2.60 -5.35 -0.02 -3.37 119.36 109.25 1yhu n ILE 140 Ca 0.05 -0.68 0.03 0.00 -0.27 0.00 0.00 62.75 61.87 1yhu n ILE 140 Cb 0.16 -0.52 0.39 0.00 -1.74 0.00 0.00 39.64 37.93 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 1.47 1.63 -0.09 -1.28 0.00 -0.21 -0.13 119.26 120.65 1yhu h ALA 141 Ca -0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1yhu h ALA 141 Cb 1.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1yhu h ALA 141 CO 0.03 0.32 -0.58 0.00 0.00 0.00 0.00 179.25 179.02 1yhu h ALA 142 N 1.69 0.83 0.12 0.00 0.00 -1.51 -2.83 119.26 117.56 1yhu h ALA 142 Ca 0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 54.91 54.24 1yhu h ALA 142 Cb -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.72 1yhu h ALA 142 CO -0.03 0.71 -1.25 0.00 0.00 0.00 0.00 179.25 178.68 1yhu h ALA 143 N 1.15 0.01 -0.39 0.00 0.00 -1.26 -3.32 119.26 115.46 1yhu h ALA 143 Ca -0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 1yhu h ALA 143 Cb 1.09 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1yhu h ALA 143 CO 0.09 0.71 0.16 0.82 0.00 0.00 0.00 179.25 181.04 1yhu h ILE 144 N 0.26 1.19 -1.75 0.00 2.04 -1.11 -3.27 117.51 114.87 1yhu h ILE 144 Ca -0.18 -0.59 -0.75 0.00 1.00 0.00 0.00 64.86 64.33 1yhu h ILE 144 Cb 1.92 0.85 -0.17 0.00 -0.74 0.00 0.00 36.82 38.68 1yhu h ILE 144 CO 0.24 0.21 1.72 -1.54 0.00 0.00 0.00 178.15 178.78 1yhu n SER 145 N -4.66 5.18 -3.15 1.72 3.41 -1.07 -3.78 113.62 111.27 1yhu n SER 145 Ca -0.00 -3.06 -0.33 0.00 -0.26 0.00 0.00 58.87 55.21 1yhu n SER 145 Cb 0.14 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.58 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 4.50 5.86 0.00 4.04 2.88 -1.23 -4.87 113.62 124.79 1yhu n SER 146 Ca 0.38 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1yhu n SER 146 Cb 0.39 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 -0.74 -1.46 0.00 -1.26 -5.04 120.51 111.78 1yhu n ALA 147 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1yhu n ALA 147 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1yhu n ALA 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39