#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yla s SER 0 N 0.00 5.15 0.68 1.61 0.15 -1.26 -4.93 113.70 115.11 1yla s SER 0 Ca 0.00 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1yla s SER 0 Cb 0.00 -0.77 0.09 0.00 -1.71 0.00 0.00 66.02 63.62 1yla s SER 0 CO 0.00 -0.49 0.95 -0.04 1.20 0.00 0.00 173.24 174.86 1yla s MET 1 N -4.05 2.01 0.54 5.44 1.00 -1.26 -5.06 119.30 117.92 1yla s MET 1 Ca 0.44 -0.74 -0.19 0.00 0.00 0.00 0.00 55.69 55.20 1yla s MET 1 Cb -0.04 -2.30 -0.06 0.00 0.00 0.00 0.00 34.83 32.42 1yla s MET 1 CO 0.27 -1.23 1.10 0.00 0.00 0.00 0.00 175.02 175.16 1yla s ALA 2 N -3.10 2.73 0.21 3.03 0.00 -1.26 -4.76 121.76 118.61 1yla s ALA 2 Ca 0.62 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 1yla s ALA 2 Cb -0.08 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 19.96 1yla s ALA 2 CO 0.43 -0.68 1.61 -0.97 0.00 0.00 0.00 175.76 176.15 1yla h ASN 3 N 1.15 -0.75 -0.55 0.00 -1.24 -1.99 -0.31 115.58 111.89 1yla h ASN 3 Ca -0.49 0.21 0.04 0.00 0.71 0.00 0.00 56.30 56.77 1yla h ASN 3 Cb 1.25 0.46 -0.03 0.00 0.73 0.00 0.00 38.32 40.73 1yla h ASN 3 CO 0.57 -0.25 0.37 -0.29 -1.29 0.00 0.00 177.43 176.54 1yla h ILE 4 N -0.03 1.03 -0.01 2.57 2.10 -1.92 -0.54 117.51 120.71 1yla h ILE 4 Ca 0.31 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 66.05 1yla h ILE 4 Cb 0.52 0.40 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1yla h ILE 4 CO -0.71 0.11 -0.01 0.00 -1.08 0.00 0.00 178.15 176.46 1yla h ALA 5 N 1.69 0.01 0.14 0.18 0.00 -1.22 -2.46 119.26 117.59 1yla h ALA 5 Ca 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yla h ALA 5 Cb 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yla h ALA 5 CO -0.06 -0.20 -0.08 0.28 0.00 0.00 0.00 179.25 179.18 1yla h VAL 6 N -0.52 0.82 -0.70 0.00 2.07 -0.98 -1.02 116.25 115.93 1yla h VAL 6 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1yla h VAL 6 Cb 0.56 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1yla h VAL 6 CO 0.00 0.00 0.46 1.56 0.02 0.00 0.00 177.57 179.62 1yla h GLN 7 N -0.21 0.88 0.18 1.57 1.08 -1.20 0.94 115.11 118.34 1yla h GLN 7 Ca -0.01 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1yla h GLN 7 Cb 0.18 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1yla h GLN 7 CO 0.02 0.58 -0.09 0.00 -0.95 0.00 0.00 178.83 178.39 1yla h ARG 8 N 0.90 -0.23 -0.92 1.46 2.47 -1.17 -2.00 114.38 114.89 1yla h ARG 8 Ca 0.27 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 1yla h ARG 8 Cb -0.03 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 1yla h ARG 8 CO -0.07 0.09 0.56 0.82 0.56 0.00 0.00 179.97 181.93 1yla h ILE 9 N -0.58 1.25 -0.47 2.04 1.08 -0.89 -0.73 117.51 119.22 1yla h ILE 9 Ca -0.02 -0.55 -0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1yla h ILE 9 Cb 0.43 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1yla h ILE 9 CO 0.04 0.27 -0.16 0.11 -0.69 0.00 0.00 178.15 177.72 1yla h LYS 10 N 1.27 0.91 0.00 2.37 1.57 -0.84 0.23 116.57 122.08 1yla h LYS 10 Ca 0.33 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1yla h LYS 10 Cb -0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1yla h LYS 10 CO -0.06 1.00 -0.47 0.07 -0.57 0.00 0.00 179.45 179.41 1yla h ARG 11 N 0.80 0.00 0.00 3.15 0.11 -1.08 -2.64 114.38 114.72 1yla h ARG 11 Ca 0.12 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.05 1yla h ARG 11 Cb 0.70 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.75 1yla h ARG 11 CO 0.05 0.47 -0.84 0.93 0.10 0.00 0.00 179.97 180.69 1yla h GLU 12 N 0.00 0.00 -0.10 0.08 5.08 -0.99 -1.26 114.58 117.39 1yla h GLU 12 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1yla h GLU 12 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1yla h GLU 12 CO 0.06 0.57 -0.16 0.35 -1.00 0.00 0.00 179.01 178.84 1yla h PHE 13 N 0.00 0.36 0.13 4.33 3.04 -0.93 -2.42 116.94 121.45 1yla h PHE 13 Ca -0.05 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.78 1yla h PHE 13 Cb 1.53 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.98 1yla h PHE 13 CO 0.00 0.75 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.76 1yla h LYS 14 N -0.14 -0.17 -1.00 1.11 3.64 -1.50 -2.08 116.57 116.42 1yla h LYS 14 Ca 0.01 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.62 1yla h LYS 14 Cb 0.72 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.47 1yla h LYS 14 CO 0.04 -0.10 0.61 1.49 -2.27 0.00 0.00 179.45 179.22 1yla h GLU 15 N -0.19 0.65 -0.29 1.90 4.81 -1.22 -0.45 114.58 119.78 1yla h GLU 15 Ca -0.02 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1yla h GLU 15 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1yla h GLU 15 CO 0.03 0.43 -0.24 0.28 -0.73 0.00 0.00 179.01 178.78 1yla h VAL 16 N 0.67 1.30 0.00 0.32 2.07 -1.09 -2.68 116.25 116.84 1yla h VAL 16 Ca 0.60 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1yla h VAL 16 Cb 1.06 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1yla h VAL 16 CO -0.40 0.45 -0.01 -0.07 0.02 0.00 0.00 177.57 177.55 1yla h LEU 17 N 0.42 0.00 -3.03 2.57 3.38 -0.43 -2.61 115.31 115.61 1yla h LEU 17 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yla h LEU 17 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1yla h LEU 17 CO 0.06 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1yla n LYS 18 N -3.15 2.87 -2.25 1.13 5.02 -0.56 -4.89 118.16 116.32 1yla n LYS 18 Ca -0.02 -2.34 -0.32 0.00 -2.02 0.00 0.00 58.31 53.62 1yla n LYS 18 Cb 0.17 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1yla n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1yla s SER 19 N -1.39 6.43 0.40 4.39 1.04 -0.99 -4.95 113.70 118.63 1yla s SER 19 Ca 0.30 1.57 0.19 0.00 0.48 0.00 0.00 55.95 58.49 1yla s SER 19 Cb 0.20 -2.50 0.83 0.00 0.10 0.00 0.00 66.02 64.65 1yla s SER 19 CO 0.12 -0.72 1.82 -0.33 0.98 0.00 0.00 173.24 175.11 1yla h GLU 20 N 0.62 0.00 -0.19 4.02 5.08 -1.92 -2.75 114.58 119.44 1yla h GLU 20 Ca -0.46 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1yla h GLU 20 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1yla h GLU 20 CO 0.61 0.33 -0.43 0.93 -1.00 0.00 0.00 179.01 179.44 1yla h GLU 21 N 0.00 0.46 -0.01 2.33 3.07 -1.92 -2.33 114.58 116.18 1yla h GLU 21 Ca -0.00 -0.24 -0.21 0.00 -0.50 0.00 0.00 59.36 58.41 1yla h GLU 21 Cb 0.74 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1yla h GLU 21 CO 0.04 0.81 -0.88 1.15 -1.40 0.00 0.00 179.01 178.73 1yla h THR 22 N 0.38 1.42 0.00 1.13 2.02 -1.67 0.59 112.91 116.78 1yla h THR 22 Ca 0.03 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.73 1yla h THR 22 Cb 0.92 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1yla h THR 22 CO 0.08 0.72 -0.19 0.77 0.37 0.00 0.00 175.52 177.27 1yla h SER 23 N 0.20 0.00 -0.63 4.18 4.64 -1.34 -0.84 113.55 119.77 1yla h SER 23 Ca -0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1yla h SER 23 Cb 1.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.56 1yla h SER 23 CO 0.15 0.19 0.08 0.29 -0.87 0.00 0.00 176.83 176.66 1yla n LYS 24 N -3.58 4.62 -4.14 4.77 5.02 -0.89 -4.95 118.16 119.01 1yla n LYS 24 Ca -0.01 -3.16 -0.34 0.00 -2.02 0.00 0.00 58.31 52.78 1yla n LYS 24 Cb 0.33 -2.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.05 1yla n LYS 24 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yla n ASN 25 N 0.41 -2.97 -0.08 4.39 4.13 -0.32 -4.87 115.26 115.95 1yla n ASN 25 Ca 0.32 -0.98 -0.13 0.00 1.68 0.00 0.00 54.58 55.46 1yla n ASN 25 Cb 1.26 -2.95 -0.14 0.00 -1.54 0.00 0.00 39.78 36.41 1yla n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yla n GLN 26 N -4.43 0.68 -3.96 3.52 1.13 0.21 -4.62 117.38 109.90 1yla n GLN 26 Ca 0.00 0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 55.11 1yla n GLN 26 Cb 0.53 -1.60 -0.08 0.00 0.11 0.00 0.00 30.24 29.19 1yla n GLN 26 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1yla s ILE 27 N -2.53 0.17 0.01 5.09 -4.36 -1.20 -1.95 121.20 116.44 1yla s ILE 27 Ca -0.16 -1.46 -0.28 0.00 -0.26 0.00 0.00 60.65 58.48 1yla s ILE 27 Cb 0.07 -1.43 0.10 0.00 1.25 0.00 0.00 42.46 42.45 1yla s ILE 27 CO 0.77 -0.79 0.86 -1.59 0.24 0.00 0.00 174.94 174.42 1yla s LYS 28 N -3.89 0.87 -0.17 0.37 -2.85 -0.79 -4.11 119.74 109.17 1yla s LYS 28 Ca 0.06 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 1yla s LYS 28 Cb 0.06 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1yla s LYS 28 CO -0.10 -0.37 0.50 0.54 0.10 0.00 0.00 175.35 176.02 1yla s VAL 29 N -3.07 0.00 0.33 1.79 0.11 -1.26 -1.66 120.40 116.64 1yla s VAL 29 Ca 0.04 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1yla s VAL 29 Cb -0.01 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 1yla s VAL 29 CO -0.09 -0.02 0.00 -1.81 -3.33 0.00 0.00 175.10 169.86 1yla s ASP 30 N 0.09 2.86 0.05 3.54 1.11 0.12 -4.92 116.67 119.52 1yla s ASP 30 Ca -0.01 -1.30 -0.09 0.00 0.18 0.00 0.00 52.55 51.32 1yla s ASP 30 Cb -0.03 -0.19 -0.05 0.00 1.07 0.00 0.00 42.92 43.71 1yla s ASP 30 CO 0.01 -0.47 0.35 -0.76 1.18 0.00 0.00 175.17 175.49 1yla s LEU 31 N -3.52 4.37 -0.05 1.23 1.43 -1.26 -0.46 118.68 120.41 1yla s LEU 31 Ca 0.34 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1yla s LEU 31 Cb 0.07 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1yla s LEU 31 CO 0.15 0.22 -0.07 0.52 0.23 0.00 0.00 176.35 177.39 1yla n VAL 32 N 1.07 0.33 -3.67 -1.59 0.31 -0.50 -4.80 118.33 109.48 1yla n VAL 32 Ca -0.10 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.81 1yla n VAL 32 Cb 0.52 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 1yla n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yla s ASP 33 N -5.50 6.48 0.33 4.52 -1.08 -0.85 -4.99 116.67 115.59 1yla s ASP 33 Ca -0.07 0.57 0.25 0.00 -0.52 0.00 0.00 52.55 52.77 1yla s ASP 33 Cb 0.03 -2.15 1.19 0.00 -1.46 0.00 0.00 42.92 40.53 1yla s ASP 33 CO 0.09 0.28 1.75 -0.33 0.52 0.00 0.00 175.17 177.47 1yla h GLU 34 N 5.59 0.00 -0.64 4.34 3.07 -1.94 -2.49 114.58 122.51 1yla h GLU 34 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1yla h GLU 34 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1yla h GLU 34 CO 0.66 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.36 1yla n ASN 35 N -2.35 4.84 -0.38 1.42 4.13 -1.26 -4.94 115.26 116.72 1yla n ASN 35 Ca -0.00 -2.50 -0.05 0.00 1.68 0.00 0.00 54.58 53.71 1yla n ASN 35 Cb 0.13 -0.59 -0.02 0.00 -1.54 0.00 0.00 39.78 37.76 1yla n ASN 35 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1yla n PHE 36 N 1.05 0.00 0.65 3.10 3.72 -0.94 -4.70 117.46 120.34 1yla n PHE 36 Ca 0.26 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 1yla n PHE 36 Cb 0.92 -1.91 0.41 0.00 -0.94 0.00 0.00 39.48 37.95 1yla n PHE 36 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1yla n THR 37 N -2.33 0.56 -3.59 4.37 -2.24 -1.26 -4.55 114.28 105.24 1yla n THR 37 Ca -0.05 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1yla n THR 37 Cb 0.42 -0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 1yla n THR 37 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1yla s GLU 38 N -3.10 0.16 0.45 -0.78 2.12 -1.26 -0.67 118.70 115.62 1yla s GLU 38 Ca 0.11 0.53 0.07 0.00 0.36 0.00 0.00 54.97 56.04 1yla s GLU 38 Cb 0.13 -0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.02 1yla s GLU 38 CO 0.60 -0.43 0.34 -0.51 -0.54 0.00 0.00 175.26 174.71 1yla s LEU 39 N 2.38 3.15 -0.11 2.70 2.01 0.48 -1.40 118.68 127.88 1yla s LEU 39 Ca 0.04 -0.95 -0.00 0.00 0.01 0.00 0.00 54.13 53.23 1yla s LEU 39 Cb -0.13 -1.68 0.02 0.00 0.01 0.00 0.00 46.19 44.41 1yla s LEU 39 CO -0.10 -0.75 -0.09 -0.60 1.01 0.00 0.00 176.35 175.83 1yla s ARG 40 N -4.12 1.64 0.53 1.70 6.06 0.39 -1.76 118.95 123.39 1yla s ARG 40 Ca 0.43 -0.31 0.07 0.00 -2.50 0.00 0.00 55.73 53.43 1yla s ARG 40 Cb -0.01 -1.63 0.05 0.00 0.06 0.00 0.00 34.95 33.42 1yla s ARG 40 CO 0.25 -0.23 0.56 0.20 -2.50 0.00 0.00 175.30 173.58 1yla s GLY 41 N 1.57 2.08 -0.29 8.12 0.00 -0.97 0.13 107.32 117.95 1yla s GLY 41 Ca 0.03 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 42.91 1yla s GLY 41 CO -0.07 -1.79 0.80 1.85 0.00 0.00 0.00 173.10 173.88 1yla s GLU 42 N -4.41 0.50 0.16 2.90 2.12 -0.66 -0.54 118.70 118.76 1yla s GLU 42 Ca 0.47 1.10 0.11 0.00 0.36 0.00 0.00 54.97 57.01 1yla s GLU 42 Cb -0.04 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 1yla s GLU 42 CO 0.29 -0.15 -0.22 0.96 -0.54 0.00 0.00 175.26 175.60 1yla s ILE 43 N 2.28 2.49 0.08 -3.70 -4.36 -0.21 -1.88 121.20 115.90 1yla s ILE 43 Ca -0.06 -1.83 -0.15 0.00 -0.26 0.00 0.00 60.65 58.35 1yla s ILE 43 Cb -0.08 -2.16 -0.06 0.00 1.25 0.00 0.00 42.46 41.40 1yla s ILE 43 CO -0.18 -0.02 0.49 0.00 0.24 0.00 0.00 174.94 175.47 1yla s ALA 44 N -1.41 3.64 0.24 2.27 0.00 -0.82 0.10 121.76 125.78 1yla s ALA 44 Ca 0.19 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1yla s ALA 44 Cb -0.09 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.45 1yla s ALA 44 CO 0.09 0.46 1.52 0.20 0.00 0.00 0.00 175.76 178.04 1yla s GLY 45 N -1.38 2.04 0.65 0.00 0.00 0.36 -4.93 107.32 104.06 1yla s GLY 45 Ca 0.31 1.41 -0.18 0.00 0.00 0.00 0.00 44.72 46.26 1yla s GLY 45 CO 0.17 2.46 1.26 -4.14 0.00 0.00 0.00 173.10 172.84 1yla s PRO 46 N 0.01 2.56 0.60 2.90 0.02 -1.26 -4.30 135.00 135.53 1yla s PRO 46 Ca 0.63 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 63.43 1yla s PRO 46 Cb -0.44 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 1yla s PRO 46 CO 0.41 -1.56 1.14 -1.25 -0.33 0.00 0.00 177.00 175.41 1yla s PRO 47 N -3.48 3.03 -1.27 5.54 0.04 -1.26 -3.08 135.00 134.52 1yla s PRO 47 Ca 0.80 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 1yla s PRO 47 Cb -0.34 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1yla s PRO 47 CO 0.39 -1.10 0.98 -0.25 0.04 0.00 0.00 177.00 177.07 1yla n ASP 48 N -1.84 -2.89 -3.73 6.66 10.43 -1.26 -4.95 116.55 118.97 1yla n ASP 48 Ca 0.11 -0.65 -0.14 0.00 2.57 0.00 0.00 54.79 56.69 1yla n ASP 48 Cb 0.51 -4.86 -0.08 0.00 1.84 0.00 0.00 41.12 38.52 1yla n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1yla s THR 49 N -3.40 0.05 0.04 -3.53 2.01 -1.23 -5.01 115.64 104.56 1yla s THR 49 Ca 0.15 -0.39 0.26 0.00 0.31 0.00 0.00 61.69 62.03 1yla s THR 49 Cb -0.07 -0.65 0.26 0.00 0.01 0.00 0.00 72.50 72.06 1yla s THR 49 CO 0.75 -0.21 1.80 -0.65 -0.69 0.00 0.00 174.62 175.62 1yla h PRO 50 N 3.90 0.00 -0.01 4.92 0.11 -1.89 0.24 132.00 139.27 1yla h PRO 50 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1yla h PRO 50 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yla h PRO 50 CO 0.39 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.64 1yla n TYR 51 N -2.44 0.00 -1.79 0.65 4.02 -1.26 -4.02 117.16 112.32 1yla n TYR 51 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 1yla n TYR 51 Cb 0.08 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1yla n TYR 51 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1yla s GLU 52 N -2.35 4.16 0.00 -0.72 2.12 0.83 -1.19 118.70 121.55 1yla s GLU 52 Ca 0.28 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.12 1yla s GLU 52 Cb 0.20 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1yla s GLU 52 CO 0.47 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1yla n GLY 53 N 4.09 3.10 3.89 -1.50 0.00 -1.26 -4.46 105.19 109.05 1yla n GLY 53 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1yla n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yla s GLY 54 N -2.76 1.89 -0.09 -0.02 0.00 -0.33 -3.58 107.32 102.44 1yla s GLY 54 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1yla s GLY 54 CO 0.00 -0.23 -0.13 0.50 0.00 0.00 0.00 173.10 173.24 1yla s ARG 55 N -3.71 1.88 -0.23 2.90 0.52 -0.70 0.13 118.95 119.74 1yla s ARG 55 Ca 0.48 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1yla s ARG 55 Cb -0.10 -1.61 0.03 0.00 0.52 0.00 0.00 34.95 33.78 1yla s ARG 55 CO 0.31 -0.04 -0.11 0.71 0.02 0.00 0.00 175.30 176.19 1yla s TYR 56 N 0.91 3.01 0.21 -0.53 2.02 0.11 -4.67 117.35 118.41 1yla s TYR 56 Ca -0.09 -1.67 -0.29 0.00 -0.37 0.00 0.00 57.07 54.64 1yla s TYR 56 Cb -0.15 -2.00 -0.08 0.00 -0.40 0.00 0.00 41.96 39.33 1yla s TYR 56 CO 0.01 -0.77 0.90 -0.65 -1.57 0.00 0.00 175.55 173.47 1yla s GLN 57 N 1.29 4.78 0.27 -0.62 -0.21 -1.26 -1.05 119.66 122.86 1yla s GLN 57 Ca 0.00 1.41 0.11 0.00 0.02 0.00 0.00 55.36 56.91 1yla s GLN 57 Cb -0.16 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 1yla s GLN 57 CO -0.07 0.50 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.96 1yla s LEU 58 N -1.06 2.80 -0.27 2.90 1.43 0.29 0.17 118.68 124.94 1yla s LEU 58 Ca 0.40 -0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1yla s LEU 58 Cb -0.25 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1yla s LEU 58 CO 0.30 0.03 -0.05 -0.70 0.23 0.00 0.00 176.35 176.17 1yla s GLU 59 N -3.50 2.47 -0.25 1.70 2.12 -0.11 -2.29 118.70 118.85 1yla s GLU 59 Ca 0.30 -1.22 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 1yla s GLU 59 Cb -0.06 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1yla s GLU 59 CO 0.16 -0.55 0.08 0.42 -0.54 0.00 0.00 175.26 174.83 1yla s ILE 60 N 1.22 4.40 -0.24 -3.70 -1.09 -0.72 -2.73 121.20 118.33 1yla s ILE 60 Ca -0.05 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1yla s ILE 60 Cb -0.19 -3.05 0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1yla s ILE 60 CO -0.03 0.34 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.37 1yla s LYS 61 N 1.53 2.67 -0.03 2.79 1.02 -0.87 -0.39 119.74 126.46 1yla s LYS 61 Ca 0.06 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1yla s LYS 61 Cb -0.15 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1yla s LYS 61 CO 0.04 -0.41 0.95 0.42 -0.92 0.00 0.00 175.35 175.43 1yla s ILE 62 N 1.24 4.87 0.36 2.17 -1.09 0.15 -1.18 121.20 127.73 1yla s ILE 62 Ca -0.02 1.97 -0.21 0.00 -2.23 0.00 0.00 60.65 60.17 1yla s ILE 62 Cb -0.17 -4.28 -0.10 0.00 -1.58 0.00 0.00 42.46 36.33 1yla s ILE 62 CO -0.07 0.14 0.88 -2.16 -1.23 0.00 0.00 174.94 172.49 1yla s PRO 63 N 1.22 4.26 0.61 2.79 0.04 -1.26 -4.81 135.00 137.85 1yla s PRO 63 Ca 0.49 1.04 0.29 0.00 0.04 0.00 0.00 61.00 62.87 1yla s PRO 63 Cb -0.20 -2.45 1.58 0.00 0.04 0.00 0.00 34.50 33.47 1yla s PRO 63 CO 0.24 0.13 1.96 0.93 0.04 0.00 0.00 177.00 180.30 1yla h GLU 64 N 2.43 0.00 -0.01 4.56 4.39 -1.98 0.46 114.58 124.44 1yla h GLU 64 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1yla h GLU 64 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1yla h GLU 64 CO 0.63 0.00 -0.07 0.25 -1.16 0.00 0.00 179.01 178.66 1yla n THR 65 N -3.47 0.00 -1.60 1.13 -2.24 -1.26 -4.72 114.28 102.12 1yla n THR 65 Ca 0.03 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1yla n THR 65 Cb 0.49 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1yla n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yla n TYR 66 N -0.21 1.06 1.32 4.78 9.36 0.15 -1.58 117.16 132.04 1yla n TYR 66 Ca 0.17 0.57 0.06 0.00 3.32 0.00 0.00 57.90 62.03 1yla n TYR 66 Cb 0.33 -2.21 0.24 0.00 -0.63 0.00 0.00 39.34 37.06 1yla n TYR 66 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1yla n PRO 67 N 0.22 1.54 0.05 2.98 -0.04 -1.26 -3.99 135.00 134.51 1yla n PRO 67 Ca 0.10 -0.83 0.13 0.00 -0.04 0.00 0.00 63.50 62.86 1yla n PRO 67 Cb 0.38 -1.26 0.50 0.00 -0.04 0.00 0.00 33.50 33.08 1yla n PRO 67 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1yla n PHE 68 N 0.12 0.46 -4.14 0.54 3.01 -0.61 -4.09 117.46 112.75 1yla n PHE 68 Ca 0.11 0.14 -0.16 0.00 1.01 0.00 0.00 57.45 58.55 1yla n PHE 68 Cb 0.22 -0.73 -0.12 0.00 -0.01 0.00 0.00 39.48 38.85 1yla n PHE 68 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1yla s ASN 69 N -3.76 1.41 0.69 4.37 0.02 -1.24 -4.86 114.94 111.57 1yla s ASN 69 Ca 0.11 -0.62 -0.11 0.00 -1.02 0.00 0.00 52.86 51.23 1yla s ASN 69 Cb 0.15 -0.02 0.00 0.00 0.02 0.00 0.00 41.25 41.40 1yla s ASN 69 CO 0.53 -0.14 1.06 -2.16 0.02 0.00 0.00 177.10 176.42 1yla s PRO 70 N -1.82 3.00 0.60 -0.60 0.04 -1.26 -4.41 135.00 130.56 1yla s PRO 70 Ca -0.04 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 1yla s PRO 70 Cb -0.09 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1yla s PRO 70 CO 0.01 -1.03 1.02 -1.25 0.04 0.00 0.00 177.00 175.79 1yla s PRO 71 N -5.08 3.68 -0.39 0.56 0.04 -1.26 -4.56 135.00 127.98 1yla s PRO 71 Ca 0.58 0.80 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 1yla s PRO 71 Cb -0.13 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1yla s PRO 71 CO 0.55 -0.50 0.65 0.15 0.04 0.00 0.00 177.00 177.88 1yla s LYS 72 N -4.94 3.54 -0.04 4.56 1.02 -0.32 -4.92 119.74 118.64 1yla s LYS 72 Ca 0.56 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1yla s LYS 72 Cb -0.11 -3.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 1yla s LYS 72 CO 0.49 -0.85 -0.05 0.08 -0.92 0.00 0.00 175.35 174.11 1yla s VAL 73 N 2.79 3.86 -0.12 3.17 1.01 -1.26 -2.04 120.40 127.81 1yla s VAL 73 Ca 0.24 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1yla s VAL 73 Cb -0.14 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1yla s VAL 73 CO 0.17 0.52 0.34 -0.60 0.00 0.00 0.00 175.10 175.52 1yla s ARG 74 N -1.09 0.42 -0.07 2.72 3.52 -1.11 -3.95 118.95 119.40 1yla s ARG 74 Ca 0.15 0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 1yla s ARG 74 Cb -0.11 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1yla s ARG 74 CO 0.04 -0.06 1.11 -0.06 -0.81 0.00 0.00 175.30 175.53 1yla s PHE 75 N 0.05 3.35 -0.02 5.12 0.08 -0.48 -0.93 117.98 125.14 1yla s PHE 75 Ca -0.01 1.39 -0.12 0.00 0.12 0.00 0.00 56.93 58.31 1yla s PHE 75 Cb -0.03 -3.31 -0.32 0.00 -0.57 0.00 0.00 43.02 38.79 1yla s PHE 75 CO 0.01 -0.81 0.77 0.82 -0.10 0.00 0.00 175.22 175.91 1yla h ILE 76 N 5.03 1.04 -3.32 0.64 1.08 -0.59 -3.40 117.51 118.00 1yla h ILE 76 Ca -0.33 -2.58 -0.56 0.00 -0.39 0.00 0.00 64.86 61.00 1yla h ILE 76 Cb 1.16 2.85 -0.04 0.00 -3.07 0.00 0.00 36.82 37.72 1yla h ILE 76 CO 0.86 0.85 0.44 -0.89 -0.69 0.00 0.00 178.15 178.72 1yla s THR 77 N -2.59 4.85 0.32 -0.27 2.01 -1.15 -4.97 115.64 113.84 1yla s THR 77 Ca -0.14 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 1yla s THR 77 Cb 0.05 -4.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 1yla s THR 77 CO 0.88 0.08 1.47 -0.54 -0.69 0.00 0.00 174.62 175.82 1yla s LYS 78 N 1.64 4.19 0.04 4.92 1.02 -1.26 -4.85 119.74 125.44 1yla s LYS 78 Ca 0.47 2.45 -0.03 0.00 0.02 0.00 0.00 55.97 58.88 1yla s LYS 78 Cb -0.19 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1yla s LYS 78 CO 0.20 -0.47 0.03 -1.50 -0.92 0.00 0.00 175.35 172.69 1yla s ILE 79 N -0.62 0.15 -0.42 2.17 2.07 -1.26 -4.68 121.20 118.61 1yla s ILE 79 Ca 0.56 -1.23 -0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1yla s ILE 79 Cb -0.44 -0.89 0.11 0.00 0.13 0.00 0.00 42.46 41.37 1yla s ILE 79 CO 0.53 -0.68 0.20 0.86 -1.91 0.00 0.00 174.94 173.94 1yla s TRP 80 N -2.65 3.59 -0.06 3.50 -0.11 -1.26 -4.38 118.94 117.57 1yla s TRP 80 Ca -0.05 -2.56 -0.10 0.00 1.22 0.00 0.00 56.10 54.62 1yla s TRP 80 Cb -0.01 -3.17 0.02 0.00 -1.50 0.00 0.00 33.47 28.81 1yla s TRP 80 CO -0.05 -0.95 0.25 -1.58 -4.62 0.00 0.00 176.95 169.99 1yla s HIS 81 N 0.96 -0.20 0.27 5.86 2.46 -1.26 -4.67 115.29 118.71 1yla s HIS 81 Ca 0.10 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.08 1yla s HIS 81 Cb -0.22 0.07 0.54 0.00 -0.13 0.00 0.00 32.58 32.84 1yla s HIS 81 CO -0.05 -0.21 1.80 -1.35 -2.47 0.00 0.00 174.74 172.46 1yla h PRO 82 N 5.09 0.79 -0.57 2.88 0.11 -1.88 -2.60 132.00 135.82 1yla h PRO 82 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1yla h PRO 82 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1yla h PRO 82 CO 0.37 0.52 0.00 0.09 -0.21 0.00 0.00 178.00 178.77 1yla n ASN 83 N -4.74 3.13 -3.88 -2.05 4.13 -1.26 -0.97 115.26 109.61 1yla n ASN 83 Ca 0.18 -2.21 -0.17 0.00 1.68 0.00 0.00 54.58 54.05 1yla n ASN 83 Cb 0.39 -0.43 -0.16 0.00 -1.54 0.00 0.00 39.78 38.05 1yla n ASN 83 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1yla s ILE 84 N -1.63 0.35 -0.06 2.41 1.01 -0.98 -1.30 121.20 121.01 1yla s ILE 84 Ca 0.34 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1yla s ILE 84 Cb 0.21 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 1yla s ILE 84 CO 0.18 0.16 1.62 -0.55 0.00 0.00 0.00 174.94 176.34 1yla s SER 85 N 0.63 6.69 0.00 3.58 0.15 -0.82 -4.34 113.70 119.58 1yla s SER 85 Ca -0.07 2.20 0.12 0.00 0.70 0.00 0.00 55.95 58.90 1yla s SER 85 Cb -0.10 -2.54 0.74 0.00 -1.71 0.00 0.00 66.02 62.41 1yla s SER 85 CO -0.01 -0.90 1.16 -1.54 1.20 0.00 0.00 173.24 173.15 1yla n SER 86 N 6.96 0.00 -0.02 5.45 3.41 -1.26 -1.29 113.62 126.87 1yla n SER 86 Ca 0.17 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.26 1yla n SER 86 Cb 0.43 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1yla n SER 86 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yla n VAL 87 N -0.94 0.26 -0.01 -3.33 0.31 -1.26 -4.85 118.33 108.51 1yla n VAL 87 Ca 0.09 -0.10 0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1yla n VAL 87 Cb 0.04 -0.76 -0.09 0.00 -0.91 0.00 0.00 33.84 32.12 1yla n VAL 87 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1yla n THR 88 N -2.70 0.08 -0.65 2.52 -2.24 -1.20 -5.00 114.28 105.09 1yla n THR 88 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1yla n THR 88 Cb 0.58 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1yla n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yla n GLY 89 N 1.91 0.79 3.70 3.38 0.00 -0.41 -4.70 105.19 109.86 1yla n GLY 89 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1yla n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yla n ALA 90 N -0.06 1.70 -2.81 4.61 0.00 -1.26 -1.38 120.51 121.30 1yla n ALA 90 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 1yla n ALA 90 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.04 1yla n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yla s ILE 91 N -0.05 5.44 -0.66 0.00 -1.09 -1.25 -1.95 121.20 121.64 1yla s ILE 91 Ca 0.66 0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 59.33 1yla s ILE 91 Cb -0.59 -3.45 0.17 0.00 -1.58 0.00 0.00 42.46 37.01 1yla s ILE 91 CO 0.49 0.57 0.49 0.00 -1.23 0.00 0.00 174.94 175.26 1yla s LEU 93 N -0.18 1.28 0.00 0.00 2.96 -1.26 -4.89 118.68 116.58 1yla s LEU 93 Ca 0.18 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1yla s LEU 93 Cb -0.19 0.52 0.00 0.00 0.50 0.00 0.00 46.19 47.02 1yla s LEU 93 CO -0.04 -0.07 0.00 -0.67 -1.32 0.00 0.00 176.35 174.25 1yla n ASP 94 N 3.19 0.00 0.27 3.68 4.64 -1.26 -1.02 116.55 126.06 1yla n ASP 94 Ca -0.15 0.00 0.18 0.00 -1.38 0.00 0.00 54.79 53.45 1yla n ASP 94 Cb 0.58 0.00 0.98 0.00 -1.04 0.00 0.00 41.12 41.64 1yla n ASP 94 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1yla h ILE 95 N 0.00 0.00 -0.01 5.18 3.07 -1.95 -0.72 117.51 123.08 1yla h ILE 95 Ca 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1yla h ILE 95 Cb 0.00 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 1yla h ILE 95 CO 0.00 0.00 -0.26 0.18 -1.05 0.00 0.00 178.15 177.02 1yla n LEU 96 N -2.77 0.98 0.00 0.16 4.77 -0.19 -3.41 117.00 116.55 1yla n LEU 96 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1yla n LEU 96 Cb 0.06 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1yla n LEU 96 CO 0.16 0.19 0.00 0.29 -1.33 0.00 0.00 177.39 176.70 1yla n LYS 97 N -0.69 0.00 0.00 3.23 4.76 -0.34 -4.91 118.16 120.21 1yla n LYS 97 Ca 0.12 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 1yla n LYS 97 Cb 0.34 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.49 1yla n LYS 97 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1yla n ASP 98 N 0.00 1.32 -1.15 4.39 5.75 -0.96 -4.47 116.55 121.42 1yla n ASP 98 Ca 0.00 -1.16 0.08 0.00 -0.01 0.00 0.00 54.79 53.70 1yla n ASP 98 Cb 0.00 0.72 0.29 0.00 -1.03 0.00 0.00 41.12 41.10 1yla n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yla n GLN 99 N -0.71 3.44 -2.21 0.11 1.13 -0.83 -5.00 117.38 113.31 1yla n GLN 99 Ca 0.06 -2.85 -0.39 0.00 -1.94 0.00 0.00 57.00 51.88 1yla n GLN 99 Cb 0.33 -1.89 -0.02 0.00 0.11 0.00 0.00 30.24 28.77 1yla n GLN 99 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1yla s TRP 100 N -2.56 3.02 0.08 1.08 -0.11 -1.22 -4.49 118.94 114.74 1yla s TRP 100 Ca 0.44 1.50 0.07 0.00 1.22 0.00 0.00 56.10 59.33 1yla s TRP 100 Cb 0.34 -3.51 -0.03 0.00 -1.50 0.00 0.00 33.47 28.77 1yla s TRP 100 CO 0.12 -1.57 -0.18 0.00 -4.62 0.00 0.00 176.95 170.71 1yla s ALA 101 N -1.31 1.50 0.35 5.86 0.00 -1.26 -5.01 121.76 121.89 1yla s ALA 101 Ca 0.55 -1.10 0.39 0.00 0.00 0.00 0.00 51.96 51.79 1yla s ALA 101 Cb -0.34 -0.19 1.85 0.00 0.00 0.00 0.00 23.12 24.44 1yla s ALA 101 CO 0.44 0.28 2.16 0.00 0.00 0.00 0.00 175.76 178.63 1yla h ALA 102 N 4.28 1.00 0.00 0.00 0.00 -1.90 -2.29 119.26 120.35 1yla h ALA 102 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1yla h ALA 102 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yla h ALA 102 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1yla h ALA 103 N 2.00 1.00 -2.39 0.00 0.00 -1.96 -3.46 119.26 114.45 1yla h ALA 103 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1yla h ALA 103 Cb 0.28 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.17 1yla h ALA 103 CO 0.00 0.00 0.36 -1.64 0.00 0.00 0.00 179.25 177.97 1yla s MET 104 N -3.25 2.72 0.31 0.00 1.00 -0.87 -5.07 119.30 114.16 1yla s MET 104 Ca 0.07 1.26 0.03 0.00 0.00 0.00 0.00 55.69 57.05 1yla s MET 104 Cb 0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 34.83 32.93 1yla s MET 104 CO 0.54 -1.29 0.09 0.95 0.00 0.00 0.00 175.02 175.31 1yla s THR 105 N -2.59 0.83 0.22 2.05 -4.23 -1.26 -5.01 115.64 105.65 1yla s THR 105 Ca 0.64 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1yla s THR 105 Cb -0.18 -2.66 0.18 0.00 1.34 0.00 0.00 72.50 71.17 1yla s THR 105 CO 0.46 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.31 1yla h LEU 106 N 2.17 0.72 -0.21 4.79 3.38 -1.96 -0.74 115.31 123.45 1yla h LEU 106 Ca -0.39 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1yla h LEU 106 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1yla h LEU 106 CO 0.64 0.47 0.11 -0.09 0.09 0.00 0.00 178.44 179.66 1yla h ARG 107 N 0.85 0.23 -0.57 1.13 2.43 -1.96 -1.70 114.38 114.79 1yla h ARG 107 Ca 0.33 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1yla h ARG 107 Cb 0.15 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1yla h ARG 107 CO -0.16 0.15 0.27 1.15 -1.51 0.00 0.00 179.97 179.87 1yla h THR 108 N 0.24 1.19 -0.27 0.20 2.02 -1.81 -0.25 112.91 114.23 1yla h THR 108 Ca 0.08 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 1yla h THR 108 Cb 0.01 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1yla h THR 108 CO -0.05 0.22 -0.43 0.58 0.37 0.00 0.00 175.52 176.22 1yla h VAL 109 N 0.80 1.30 -0.30 3.16 2.07 -0.89 -1.18 116.25 121.21 1yla h VAL 109 Ca 0.20 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 1yla h VAL 109 Cb 0.09 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1yla h VAL 109 CO -0.03 0.52 -0.28 -0.07 0.02 0.00 0.00 177.57 177.73 1yla h LEU 110 N 0.54 0.76 -1.08 2.57 3.38 -0.79 -1.94 115.31 118.75 1yla h LEU 110 Ca 0.04 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1yla h LEU 110 Cb 0.96 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1yla h LEU 110 CO 0.09 1.07 -0.36 -0.07 0.09 0.00 0.00 178.44 179.26 1yla h LEU 111 N 0.46 0.19 -0.27 1.67 3.38 -1.01 -2.25 115.31 117.48 1yla h LEU 111 Ca 0.05 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1yla h LEU 111 Cb 0.85 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1yla h LEU 111 CO 0.07 0.54 -0.88 0.28 0.09 0.00 0.00 178.44 178.54 1yla h SER 112 N 0.16 0.17 0.71 -0.43 0.02 -1.14 -1.22 113.55 111.82 1yla h SER 112 Ca 0.02 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1yla h SER 112 Cb 0.71 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1yla h SER 112 CO 0.05 0.97 -0.46 -0.07 -1.14 0.00 0.00 176.83 176.19 1yla h LEU 113 N 0.07 0.00 -0.10 5.07 3.38 -1.16 -0.42 115.31 122.15 1yla h LEU 113 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1yla h LEU 113 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1yla h LEU 113 CO 0.13 0.46 -1.02 -0.61 0.09 0.00 0.00 178.44 177.48 1yla h GLN 114 N 0.00 0.33 -0.36 1.13 4.15 -1.21 -2.76 115.11 116.39 1yla h GLN 114 Ca -0.00 -0.40 -0.13 0.00 0.77 0.00 0.00 58.65 58.88 1yla h GLN 114 Cb 0.93 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1yla h GLN 114 CO 0.06 1.11 -0.29 0.00 -1.93 0.00 0.00 178.83 177.78 1yla h ALA 115 N 0.74 0.80 -0.61 3.38 0.00 -0.88 -2.92 119.26 119.76 1yla h ALA 115 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yla h ALA 115 Cb 1.68 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1yla h ALA 115 CO 0.17 0.65 0.39 1.25 0.00 0.00 0.00 179.25 181.70 1yla h LEU 116 N 0.66 0.71 -1.29 0.00 5.85 -1.06 -0.83 115.31 119.34 1yla h LEU 116 Ca 0.08 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1yla h LEU 116 Cb 0.82 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1yla h LEU 116 CO 0.07 0.53 0.51 -0.07 -0.34 0.00 0.00 178.44 179.15 1yla h LEU 117 N 0.82 0.76 -0.02 2.25 3.38 -1.30 -1.76 115.31 119.44 1yla h LEU 117 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1yla h LEU 117 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1yla h LEU 117 CO -0.05 0.50 -0.14 0.00 0.09 0.00 0.00 178.44 178.84 1yla n ALA 118 N -2.43 2.69 -3.08 1.53 0.00 -0.68 -4.57 120.51 113.96 1yla n ALA 118 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1yla n ALA 118 Cb 0.20 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1yla n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yla s ALA 119 N -2.94 -1.80 0.91 0.00 0.00 -0.41 -5.09 121.76 112.43 1yla s ALA 119 Ca 0.15 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1yla s ALA 119 Cb 0.19 -2.57 0.13 0.00 0.00 0.00 0.00 23.12 20.87 1yla s ALA 119 CO 0.57 -2.20 1.10 0.00 0.00 0.00 0.00 175.76 175.23 1yla s ALA 120 N 1.35 1.60 -0.54 0.00 0.00 -1.15 -4.60 121.76 118.42 1yla s ALA 120 Ca 0.22 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1yla s ALA 120 Cb -0.04 -3.11 0.16 0.00 0.00 0.00 0.00 23.12 20.13 1yla s ALA 120 CO -0.06 -2.33 0.38 -1.21 0.00 0.00 0.00 175.76 172.54 1yla s GLU 121 N -5.08 1.64 0.00 0.00 8.01 -1.26 -4.97 118.70 117.04 1yla s GLU 121 Ca 0.63 -2.60 0.11 0.00 0.01 0.00 0.00 54.97 53.13 1yla s GLU 121 Cb -0.17 -2.45 0.53 0.00 -4.31 0.00 0.00 34.13 27.73 1yla s GLU 121 CO 0.56 -1.30 1.32 -0.35 0.01 0.00 0.00 175.26 175.50 1yla n PRO 122 N 2.63 0.07 0.02 0.39 -0.04 -1.26 -1.77 135.00 135.05 1yla n PRO 122 Ca 0.21 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1yla n PRO 122 Cb 0.40 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.53 1yla n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1yla n ASP 123 N -1.41 0.60 -2.66 3.54 10.43 -1.26 -3.91 116.55 121.88 1yla n ASP 123 Ca 0.04 -0.16 -0.18 0.00 2.57 0.00 0.00 54.79 57.05 1yla n ASP 123 Cb 0.11 0.36 0.01 0.00 1.84 0.00 0.00 41.12 43.44 1yla n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1yla n ASP 124 N -1.77 2.88 -4.73 -2.24 4.64 -0.73 -5.11 116.55 109.49 1yla n ASP 124 Ca 0.04 -3.20 -0.29 0.00 -1.38 0.00 0.00 54.79 49.96 1yla n ASP 124 Cb 0.38 -0.51 0.15 0.00 -1.04 0.00 0.00 41.12 40.10 1yla n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1yla s PRO 125 N -3.24 0.96 -0.02 -0.67 0.04 -1.16 -4.80 135.00 126.11 1yla s PRO 125 Ca 0.38 0.54 0.07 0.00 0.04 0.00 0.00 61.00 62.03 1yla s PRO 125 Cb 0.41 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 33.05 1yla s PRO 125 CO -0.07 -2.37 0.14 0.94 0.04 0.00 0.00 177.00 175.68 1yla n GLN 126 N -3.93 0.58 -3.90 4.56 -0.06 -0.14 -4.90 117.38 109.60 1yla n GLN 126 Ca 0.06 -0.06 -0.28 0.00 -2.00 0.00 0.00 57.00 54.72 1yla n GLN 126 Cb 0.57 -1.17 -0.16 0.00 -4.06 0.00 0.00 30.24 25.41 1yla n GLN 126 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1yla s ASP 127 N -2.97 2.80 0.12 1.69 -1.08 -0.77 -4.62 116.67 111.84 1yla s ASP 127 Ca -0.03 -0.64 -0.12 0.00 -0.52 0.00 0.00 52.55 51.24 1yla s ASP 127 Cb 0.04 -0.92 -0.09 0.00 -1.46 0.00 0.00 42.92 40.49 1yla s ASP 127 CO 0.30 -0.18 1.40 0.00 0.52 0.00 0.00 175.17 177.21 1yla h ALA 128 N 8.12 0.44 -0.34 3.66 0.00 -1.90 0.33 119.26 129.57 1yla h ALA 128 Ca -0.25 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1yla h ALA 128 Cb 1.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1yla h ALA 128 CO 0.41 0.62 0.15 0.28 0.00 0.00 0.00 179.25 180.71 1yla h VAL 129 N 0.61 0.96 -0.04 0.00 2.07 -1.96 0.12 116.25 118.01 1yla h VAL 129 Ca 0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1yla h VAL 129 Cb 1.11 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1yla h VAL 129 CO 0.11 0.06 -0.06 0.58 0.02 0.00 0.00 177.57 178.29 1yla h VAL 130 N 0.32 1.41 -0.67 2.57 2.07 -1.90 -2.80 116.25 117.26 1yla h VAL 130 Ca 0.14 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.47 1yla h VAL 130 Cb 0.07 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 1yla h VAL 130 CO -0.11 0.36 0.21 0.00 0.02 0.00 0.00 177.57 178.04 1yla h ALA 131 N 0.49 0.87 0.01 1.67 0.00 -0.76 0.28 119.26 121.82 1yla h ALA 131 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yla h ALA 131 Cb 0.61 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1yla h ALA 131 CO 0.01 -0.25 -0.01 -0.97 0.00 0.00 0.00 179.25 178.03 1yla h ASN 132 N 0.35 -0.02 -0.81 0.00 -1.24 -1.03 -2.67 115.58 110.17 1yla h ASN 132 Ca 0.36 -0.18 0.04 0.00 0.71 0.00 0.00 56.30 57.23 1yla h ASN 132 Cb 0.53 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.54 1yla h ASN 132 CO -0.40 0.17 0.53 -0.61 -1.29 0.00 0.00 177.43 175.83 1yla h GLN 133 N -0.20 0.96 -0.86 6.67 4.15 -1.15 0.43 115.11 125.11 1yla h GLN 133 Ca -0.00 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.45 1yla h GLN 133 Cb 0.19 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 1yla h GLN 133 CO 0.00 0.64 0.51 -0.92 -1.93 0.00 0.00 178.83 177.13 1yla h TYR 134 N 0.99 0.93 0.10 3.99 5.03 -0.73 -1.78 116.97 125.51 1yla h TYR 134 Ca 0.32 0.03 -0.31 0.00 2.58 0.00 0.00 58.73 61.35 1yla h TYR 134 Cb 0.05 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 1yla h TYR 134 CO -0.00 0.40 -1.63 0.87 -1.32 0.00 0.00 178.16 176.48 1yla h LYS 135 N 0.87 0.21 -0.19 1.82 1.57 -0.84 -3.28 116.57 116.73 1yla h LYS 135 Ca 0.41 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1yla h LYS 135 Cb 0.34 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1yla h LYS 135 CO -0.23 1.17 -0.25 0.37 -0.57 0.00 0.00 179.45 179.93 1yla h GLN 136 N -0.28 0.50 -2.29 3.15 -0.00 -0.22 -3.39 115.11 112.58 1yla h GLN 136 Ca -0.36 -0.29 -0.58 0.00 -0.00 0.00 0.00 58.65 57.41 1yla h GLN 136 Cb 1.79 0.02 -0.39 0.00 0.00 0.00 0.00 27.48 28.90 1yla h GLN 136 CO 0.02 0.88 -0.97 -1.71 0.00 0.00 0.00 178.83 177.06 1yla n ASN 137 N -4.40 0.30 -0.32 -0.69 5.15 -0.67 -5.00 115.26 109.63 1yla n ASN 137 Ca -0.06 -2.62 0.15 0.00 -0.60 0.00 0.00 54.58 51.46 1yla n ASN 137 Cb 0.44 -0.61 0.39 0.00 -0.53 0.00 0.00 39.78 39.47 1yla n ASN 137 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1yla h PRO 138 N 4.95 0.63 0.00 1.20 0.13 -1.61 -1.24 132.00 136.06 1yla h PRO 138 Ca 0.19 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1yla h PRO 138 Cb 0.87 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1yla h PRO 138 CO 0.46 0.41 -0.22 0.93 -0.23 0.00 0.00 178.00 179.35 1yla h GLU 139 N 0.64 0.00 0.01 0.86 4.39 -1.90 -1.93 114.58 116.65 1yla h GLU 139 Ca 0.54 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 60.02 1yla h GLU 139 Cb 1.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1yla h GLU 139 CO -0.30 0.22 -1.04 1.98 -1.16 0.00 0.00 179.01 178.72 1yla h MET 140 N 0.00 0.02 -0.28 2.33 4.05 -1.58 -2.82 114.93 116.65 1yla h MET 140 Ca -0.00 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1yla h MET 140 Cb 0.64 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1yla h MET 140 CO 0.03 1.01 -0.12 0.35 0.23 0.00 0.00 176.91 178.40 1yla h PHE 141 N 0.01 0.67 -0.44 1.39 3.57 -1.07 -1.60 116.94 119.46 1yla h PHE 141 Ca -0.03 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 1yla h PHE 141 Cb 1.79 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1yla h PHE 141 CO 0.01 0.82 0.06 0.87 -2.23 0.00 0.00 178.31 177.83 1yla h LYS 142 N 0.33 0.68 -0.03 1.11 1.57 -1.41 0.33 116.57 119.15 1yla h LYS 142 Ca 0.06 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1yla h LYS 142 Cb 0.63 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1yla h LYS 142 CO 0.04 0.66 -0.65 1.96 -0.57 0.00 0.00 179.45 180.88 1yla h GLN 143 N 0.65 0.13 0.20 3.15 1.08 -1.40 -1.95 115.11 116.97 1yla h GLN 143 Ca 0.14 -0.10 -0.31 0.00 -1.45 0.00 0.00 58.65 56.93 1yla h GLN 143 Cb 0.33 0.02 0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1yla h GLN 143 CO 0.01 0.74 -1.38 1.15 -0.95 0.00 0.00 178.83 178.39 1yla h THR 144 N 0.09 1.35 -0.35 -0.54 2.02 -0.84 -2.39 112.91 112.25 1yla h THR 144 Ca -0.01 -2.78 -0.04 0.00 0.77 0.00 0.00 66.41 64.35 1yla h THR 144 Cb 1.17 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 70.54 1yla h THR 144 CO 0.09 0.83 0.08 0.00 0.37 0.00 0.00 175.52 176.89 1yla h ALA 145 N 0.30 0.46 -0.24 6.16 0.00 -0.34 -0.64 119.26 124.96 1yla h ALA 145 Ca -0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1yla h ALA 145 Cb 2.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1yla h ALA 145 CO 0.25 0.13 -0.07 -0.09 0.00 0.00 0.00 179.25 179.47 1yla h ARG 146 N 0.41 0.37 -0.24 0.00 2.43 -1.43 0.95 114.38 116.88 1yla h ARG 146 Ca 0.11 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 1yla h ARG 146 Cb 0.31 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1yla h ARG 146 CO 0.00 0.46 -0.32 1.25 -1.51 0.00 0.00 179.97 179.85 1yla h LEU 147 N 0.35 0.69 -1.09 3.80 5.85 -1.13 -1.53 115.31 122.26 1yla h LEU 147 Ca 0.07 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1yla h LEU 147 Cb 0.35 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1yla h LEU 147 CO 0.02 1.06 0.08 -0.50 -0.34 0.00 0.00 178.44 178.75 1yla h TRP 148 N 0.33 0.75 -0.51 1.25 4.06 -0.72 -0.99 115.95 120.12 1yla h TRP 148 Ca 0.03 -0.07 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 1yla h TRP 148 Cb 0.90 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 1yla h TRP 148 CO 0.08 0.66 -0.05 0.00 -3.56 0.00 0.00 178.44 175.57 1yla h ALA 149 N 1.39 0.70 -0.04 1.49 0.00 -0.68 -1.60 119.26 120.51 1yla h ALA 149 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1yla h ALA 149 Cb 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yla h ALA 149 CO 0.00 0.56 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 1yla h HIS 150 N 0.80 0.13 -0.07 0.00 -0.00 -0.94 1.00 115.15 116.08 1yla h HIS 150 Ca 0.14 -0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.32 1yla h HIS 150 Cb 0.60 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1yla h HIS 150 CO 0.04 0.60 -0.60 -0.24 -0.00 0.00 0.00 177.93 177.74 1yla h VAL 151 N -0.37 1.38 0.00 5.26 3.04 -1.24 -3.15 116.25 121.18 1yla h VAL 151 Ca 0.01 -1.97 -0.14 0.00 -1.01 0.00 0.00 66.70 63.59 1yla h VAL 151 Cb 0.58 1.99 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 1yla h VAL 151 CO 0.01 0.58 -1.83 -1.22 -1.01 0.00 0.00 177.57 174.11 1yla n TYR 152 N -3.88 0.00 -0.41 3.17 4.02 -0.60 -4.72 117.16 114.74 1yla n TYR 152 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1yla n TYR 152 Cb 0.61 -0.53 0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1yla n TYR 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yla n ALA 153 N -2.28 2.08 -0.98 -0.72 0.00 0.26 -4.74 120.51 114.13 1yla n ALA 153 Ca -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1yla n ALA 153 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1yla n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yla n GLY 154 N -0.83 0.34 3.68 0.00 0.00 -0.78 -1.72 105.19 105.89 1yla n GLY 154 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1yla n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yla s ALA 155 N -1.74 1.66 0.00 4.61 0.00 -0.67 -4.71 121.76 120.91 1yla s ALA 155 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1yla s ALA 155 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1yla s ALA 155 CO 0.00 -2.52 0.30 -2.30 0.00 0.00 0.00 175.76 171.24 1yla n PRO 156 N -3.72 0.00 0.00 0.00 -0.02 -1.26 -4.28 135.00 125.72 1yla n PRO 156 Ca 0.13 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1yla n PRO 156 Cb 0.51 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 1yla n PRO 156 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1yla n VAL 157 N -0.97 0.00 -1.23 -1.45 3.14 -1.26 -4.97 118.33 111.59 1yla n VAL 157 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1yla n VAL 157 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1yla n VAL 157 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1yla n SER 158 N 0.00 0.00 -4.55 6.55 2.88 -1.26 -5.01 113.62 112.22 1yla n SER 158 Ca 0.00 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.07 1yla n SER 158 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1yla n SER 158 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1yla n SER 159 N 0.00 2.82 -0.08 -3.46 2.88 -1.26 -4.89 113.62 109.63 1yla n SER 159 Ca 0.00 0.46 0.06 0.00 -1.33 0.00 0.00 58.87 58.05 1yla n SER 159 Cb 0.00 -1.39 0.40 0.00 -0.75 0.00 0.00 64.21 62.47 1yla n SER 159 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1yla h PRO 160 N 12.69 0.60 -0.10 -1.46 0.11 -1.98 -1.68 132.00 140.18 1yla h PRO 160 Ca -0.37 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1yla h PRO 160 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1yla h PRO 160 CO 0.98 0.40 0.01 0.93 -0.21 0.00 0.00 178.00 180.11 1yla h GLU 161 N 0.62 0.05 -0.09 1.05 3.07 -2.00 -0.88 114.58 116.40 1yla h GLU 161 Ca 0.22 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1yla h GLU 161 Cb 0.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1yla h GLU 161 CO -0.06 0.03 0.04 1.88 -1.40 0.00 0.00 179.01 179.51 1yla h TYR 162 N 0.05 0.08 0.00 4.33 -1.99 -1.72 -2.44 116.97 115.28 1yla h TYR 162 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1yla h TYR 162 Cb 0.04 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.75 1yla h TYR 162 CO -0.11 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.09 1yla h THR 163 N 0.10 0.00 0.18 -2.88 1.03 -1.27 -0.33 112.91 109.74 1yla h THR 163 Ca 0.04 -0.28 -0.31 0.00 -0.01 0.00 0.00 66.41 65.85 1yla h THR 163 Cb 0.01 1.07 0.03 0.00 -1.07 0.00 0.00 68.15 68.19 1yla h THR 163 CO -0.03 0.00 -1.33 0.50 -0.01 0.00 0.00 175.52 174.65 1yla h LYS 164 N 0.00 0.49 -0.44 0.00 3.64 -0.70 -2.75 116.57 116.81 1yla h LYS 164 Ca 0.00 -0.77 -0.13 0.00 -1.27 0.00 0.00 60.65 58.49 1yla h LYS 164 Cb 0.37 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1yla h LYS 164 CO 0.00 1.36 -0.22 0.87 -2.27 0.00 0.00 179.45 179.19 1yla h LYS 165 N 0.17 0.93 -0.33 1.90 1.57 -1.02 -0.81 116.57 118.99 1yla h LYS 165 Ca -0.20 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.20 1yla h LYS 165 Cb 2.03 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.28 1yla h LYS 165 CO 0.24 1.07 0.13 0.82 -0.57 0.00 0.00 179.45 181.15 1yla h ILE 166 N 0.77 0.94 -0.74 1.86 1.08 -1.14 -1.92 117.51 118.36 1yla h ILE 166 Ca 0.10 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1yla h ILE 166 Cb 0.79 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1yla h ILE 166 CO 0.07 0.05 0.23 -0.33 -0.69 0.00 0.00 178.15 177.48 1yla h GLU 167 N 0.29 1.15 -0.27 2.37 5.08 -1.32 -1.77 114.58 120.10 1yla h GLU 167 Ca 0.14 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1yla h GLU 167 Cb 0.10 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1yla h GLU 167 CO -0.13 0.98 0.17 -0.91 -1.00 0.00 0.00 179.01 178.11 1yla h ASN 168 N 1.10 0.33 0.41 1.42 -0.26 -0.76 -1.14 115.58 116.68 1yla h ASN 168 Ca 0.24 -0.05 -0.07 0.00 -0.56 0.00 0.00 56.30 55.86 1yla h ASN 168 Cb 0.31 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1yla h ASN 168 CO -0.01 0.28 -0.33 -0.07 -1.06 0.00 0.00 177.43 176.24 1yla h LEU 169 N 0.35 0.00 -0.52 1.61 3.38 -1.20 -2.35 115.31 116.58 1yla h LEU 169 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1yla h LEU 169 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1yla h LEU 169 CO -0.02 0.33 -0.66 0.00 0.09 0.00 0.00 178.44 178.18 1yla h ALA 171 N 1.34 1.44 0.00 0.00 0.00 -0.67 0.57 119.26 121.93 1yla h ALA 171 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1yla h ALA 171 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1yla h ALA 171 CO 0.09 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.41 1yla n MET 172 N -4.20 0.51 -0.39 0.00 2.00 -1.05 -4.87 117.12 109.12 1yla n MET 172 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1yla n MET 172 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.05 1yla n MET 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yla n GLY 173 N 0.52 0.80 3.85 3.03 0.00 0.19 -5.08 105.19 108.50 1yla n GLY 173 Ca 0.14 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1yla n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yla s PHE 174 N -2.00 3.42 0.29 1.61 0.08 -1.13 -5.01 117.98 115.24 1yla s PHE 174 Ca 0.00 1.34 -0.30 0.00 0.12 0.00 0.00 56.93 58.10 1yla s PHE 174 Cb 0.00 -2.67 -0.11 0.00 -0.57 0.00 0.00 43.02 39.67 1yla s PHE 174 CO 0.00 -0.18 1.49 0.34 -0.10 0.00 0.00 175.22 176.77 1yla s ASP 175 N -2.81 6.52 0.11 1.36 2.15 -1.26 -4.54 116.67 118.20 1yla s ASP 175 Ca 0.57 2.82 -0.22 0.00 0.43 0.00 0.00 52.55 56.15 1yla s ASP 175 Cb -0.10 -2.64 -0.09 0.00 -0.30 0.00 0.00 42.92 39.79 1yla s ASP 175 CO 0.26 -0.79 1.72 -0.09 -0.17 0.00 0.00 175.17 176.10 1yla h ARG 176 N 4.53 -0.01 -0.31 4.34 2.43 -1.96 -0.40 114.38 123.00 1yla h ARG 176 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1yla h ARG 176 Cb 1.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1yla h ARG 176 CO 0.75 -0.01 0.04 -0.91 -1.51 0.00 0.00 179.97 178.34 1yla h ASN 177 N -0.01 0.42 -0.18 -3.80 2.35 -2.00 -0.64 115.58 111.73 1yla h ASN 177 Ca 0.04 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1yla h ASN 177 Cb 0.08 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1yla h ASN 177 CO -0.10 0.46 -0.06 0.00 -1.65 0.00 0.00 177.43 176.08 1yla h ALA 178 N 1.60 0.24 -0.82 -0.83 0.00 -1.85 -2.66 119.26 114.95 1yla h ALA 178 Ca 0.10 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1yla h ALA 178 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1yla h ALA 178 CO 0.00 0.03 0.53 0.28 0.00 0.00 0.00 179.25 180.09 1yla h VAL 179 N 0.05 1.15 -0.35 0.00 2.07 -0.60 0.13 116.25 118.70 1yla h VAL 179 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1yla h VAL 179 Cb 0.52 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1yla h VAL 179 CO 0.02 0.19 0.12 0.40 0.02 0.00 0.00 177.57 178.32 1yla h ILE 180 N 1.05 1.20 0.00 4.57 2.04 -1.08 0.16 117.51 125.45 1yla h ILE 180 Ca 0.32 -0.65 -0.16 0.00 1.00 0.00 0.00 64.86 65.37 1yla h ILE 180 Cb -0.03 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1yla h ILE 180 CO -0.10 0.22 -0.77 1.62 0.00 0.00 0.00 178.15 179.12 1yla h VAL 181 N 0.42 1.50 0.46 1.67 3.04 -1.29 -1.70 116.25 120.35 1yla h VAL 181 Ca 0.11 -2.69 -0.02 0.00 -1.01 0.00 0.00 66.70 63.10 1yla h VAL 181 Cb 0.23 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1yla h VAL 181 CO -0.01 0.76 -0.22 0.00 -1.01 0.00 0.00 177.57 177.09 1yla h ALA 182 N 1.23 -0.61 -0.99 3.17 0.00 -0.59 -1.57 119.26 119.90 1yla h ALA 182 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1yla h ALA 182 Cb 1.41 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 1yla h ALA 182 CO 0.10 -0.70 0.64 -0.07 0.00 0.00 0.00 179.25 179.22 1yla h LEU 183 N -0.90 1.04 -1.87 0.00 3.38 -1.02 -1.07 115.31 114.88 1yla h LEU 183 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1yla h LEU 183 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1yla h LEU 183 CO 0.10 0.68 -0.10 0.28 0.09 0.00 0.00 178.44 179.50 1yla h SER 184 N 1.19 0.00 0.56 -0.43 0.02 -1.24 0.19 113.55 113.84 1yla h SER 184 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1yla h SER 184 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1yla h SER 184 CO -0.16 0.10 -1.06 -1.20 -1.14 0.00 0.00 176.83 173.37 1yla n SER 185 N -3.44 0.61 -2.18 3.07 7.64 -0.51 -4.33 113.62 114.49 1yla n SER 185 Ca -0.01 -0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 1yla n SER 185 Cb 0.25 0.76 0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1yla n SER 185 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1yla n LYS 186 N -2.15 3.34 -3.63 1.43 4.76 -0.60 -4.92 118.16 116.39 1yla n LYS 186 Ca 0.01 -3.97 -0.26 0.00 -2.87 0.00 0.00 58.31 51.22 1yla n LYS 186 Cb 0.47 -2.28 -0.02 0.00 -1.84 0.00 0.00 35.03 31.36 1yla n LYS 186 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1yla n SER 187 N -0.73 -2.84 -2.47 4.39 7.64 -1.22 -0.85 113.62 117.54 1yla n SER 187 Ca 0.48 -0.54 -0.19 0.00 1.01 0.00 0.00 58.87 59.63 1yla n SER 187 Cb 0.83 -2.39 -0.01 0.00 -1.01 0.00 0.00 64.21 61.64 1yla n SER 187 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1yla n TRP 188 N -3.82 -1.19 -3.26 1.43 7.02 0.64 -4.96 117.44 113.30 1yla n TRP 188 Ca 0.03 0.05 -0.41 0.00 -1.02 0.00 0.00 57.50 56.15 1yla n TRP 188 Cb 0.51 -3.71 -0.08 0.00 -2.42 0.00 0.00 31.31 25.61 1yla n TRP 188 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1yla s ASP 189 N -2.10 6.34 0.21 -0.99 3.68 -0.03 -4.96 116.67 118.81 1yla s ASP 189 Ca 0.03 0.15 -0.09 0.00 2.13 0.00 0.00 52.55 54.77 1yla s ASP 189 Cb -0.01 -2.26 0.27 0.00 -1.45 0.00 0.00 42.92 39.47 1yla s ASP 189 CO 0.04 -0.39 1.78 0.58 0.13 0.00 0.00 175.17 177.31 1yla h VAL 190 N 5.53 0.88 0.51 1.11 2.07 -1.93 0.67 116.25 125.09 1yla h VAL 190 Ca -0.29 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1yla h VAL 190 Cb 1.13 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1yla h VAL 190 CO 0.74 0.10 -0.25 -0.08 0.02 0.00 0.00 177.57 178.11 1yla h GLU 191 N 0.57 -0.66 0.00 1.57 4.81 -1.97 0.83 114.58 119.73 1yla h GLU 191 Ca 0.31 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1yla h GLU 191 Cb 0.29 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1yla h GLU 191 CO -0.24 -0.37 -0.11 0.00 -0.73 0.00 0.00 179.01 177.56 1yla h THR 192 N -0.88 0.53 0.03 0.32 1.03 -1.90 -1.88 112.91 110.16 1yla h THR 192 Ca -0.07 -0.51 -0.23 0.00 -0.01 0.00 0.00 66.41 65.60 1yla h THR 192 Cb 0.60 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.01 1yla h THR 192 CO 0.12 0.11 -0.99 0.00 -0.01 0.00 0.00 175.52 174.74 1yla h ALA 193 N 1.89 0.35 -0.33 0.00 0.00 -0.64 -3.09 119.26 117.44 1yla h ALA 193 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1yla h ALA 193 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1yla h ALA 193 CO 0.01 0.89 -0.13 1.15 0.00 0.00 0.00 179.25 181.18 1yla h THR 194 N 0.15 1.24 -0.16 0.00 2.02 -0.02 -2.39 112.91 113.76 1yla h THR 194 Ca -0.08 -1.07 -0.20 0.00 0.77 0.00 0.00 66.41 65.83 1yla h THR 194 Cb 1.65 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1yla h THR 194 CO 0.16 0.35 -0.70 1.05 0.37 0.00 0.00 175.52 176.75 1yla h GLU 195 N 0.52 0.68 -0.17 6.66 4.11 -1.53 -2.89 114.58 121.95 1yla h GLU 195 Ca 0.09 -0.52 -0.03 0.00 0.07 0.00 0.00 59.36 58.98 1yla h GLU 195 Cb 0.53 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1yla h GLU 195 CO 0.03 1.14 -0.03 1.25 0.07 0.00 0.00 179.01 181.47 1yla h LEU 196 N 0.48 0.23 0.00 3.06 5.85 -1.43 0.21 115.31 123.71 1yla h LEU 196 Ca -0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1yla h LEU 196 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1yla h LEU 196 CO 0.14 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 1yla n LEU 197 N -4.36 0.00 -0.48 2.25 4.77 -0.92 -2.65 117.00 115.61 1yla n LEU 197 Ca -0.00 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 1yla n LEU 197 Cb 0.19 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1yla n LEU 197 CO 0.37 -0.03 0.36 0.18 -1.33 0.00 0.00 177.39 176.93 1yla n LEU 198 N -1.47 1.91 0.00 2.23 4.77 -0.02 -5.09 117.00 119.33 1yla n LEU 198 Ca 0.07 -0.86 0.12 0.00 -0.03 0.00 0.00 56.01 55.32 1yla n LEU 198 Cb 0.30 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.12 1yla n LEU 198 CO 0.25 0.35 0.91 -1.20 -1.33 0.00 0.00 177.39 176.37