#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykm s ILE 2 N 0.00 4.74 -0.13 4.25 -1.09 -1.26 -5.03 121.20 122.68 1ykm s ILE 2 Ca 0.00 1.52 -0.02 0.00 -2.23 0.00 0.00 60.65 59.91 1ykm s ILE 2 Cb 0.00 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1ykm s ILE 2 CO 0.00 -0.22 -0.04 -1.61 -1.23 0.00 0.00 174.94 171.83 1ykm s GLU 3 N 3.08 3.40 0.53 2.79 0.41 -1.26 -5.12 118.70 122.52 1ykm s GLU 3 Ca 0.37 -0.52 0.09 0.00 -0.41 0.00 0.00 54.97 54.49 1ykm s GLU 3 Cb -0.14 -2.82 0.09 0.00 -1.78 0.00 0.00 34.13 29.47 1ykm s GLU 3 CO 0.10 0.38 0.71 1.28 -0.49 0.00 0.00 175.26 177.24 1ykm n LEU 4 N 3.11 0.00 -4.75 1.80 4.32 -1.26 -5.07 117.00 115.16 1ykm n LEU 4 Ca -0.18 -2.30 -0.41 0.00 -0.02 0.00 0.00 56.01 53.10 1ykm n LEU 4 Cb 0.53 -0.36 -0.02 0.00 -1.62 0.00 0.00 43.42 41.94 1ykm n LEU 4 CO 0.31 -0.68 1.07 -0.76 -1.22 0.00 0.00 177.39 176.10 1ykm s LEU 5 N 0.00 4.40 0.40 2.23 1.43 -1.26 -4.97 118.68 120.90 1ykm s LEU 5 Ca 0.54 2.64 -0.24 0.00 -1.03 0.00 0.00 54.13 56.03 1ykm s LEU 5 Cb -0.04 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1ykm s LEU 5 CO 0.34 -0.65 1.09 -2.84 0.23 0.00 0.00 176.35 174.52 1ykm s PRO 6 N -0.57 4.11 0.38 1.29 0.02 -1.26 -5.01 135.00 133.97 1ykm s PRO 6 Ca 0.57 1.63 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 1ykm s PRO 6 Cb -0.41 -2.59 -0.09 0.00 0.02 0.00 0.00 34.50 31.44 1ykm s PRO 6 CO 0.44 -0.21 1.21 -2.00 -0.33 0.00 0.00 177.00 176.11 1ykm s GLU 7 N -2.42 4.12 0.12 5.54 2.12 -1.26 -4.95 118.70 121.98 1ykm s GLU 7 Ca 0.58 1.95 -0.31 0.00 0.36 0.00 0.00 54.97 57.54 1ykm s GLU 7 Cb -0.25 -2.79 -0.11 0.00 0.26 0.00 0.00 34.13 31.25 1ykm s GLU 7 CO 0.31 -0.29 1.85 2.41 -0.54 0.00 0.00 175.26 179.00 1ykm n THR 8 N 0.27 0.38 -1.78 -1.70 -1.04 -1.26 -4.93 114.28 104.22 1ykm n THR 8 Ca 0.03 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.60 1ykm n THR 8 Cb 0.45 -2.15 0.05 0.00 -1.82 0.00 0.00 70.33 66.86 1ykm n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykm s PRO 9 N 2.80 2.92 0.47 -2.82 0.02 -1.26 -5.01 135.00 132.11 1ykm s PRO 9 Ca 0.82 2.15 -0.14 0.00 0.02 0.00 0.00 61.00 63.85 1ykm s PRO 9 Cb -0.47 -2.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.89 1ykm s PRO 9 CO 0.37 -1.34 0.89 0.45 -0.33 0.00 0.00 177.00 177.05 1ykm s SER 10 N -1.15 6.57 0.05 2.53 0.15 -1.26 -5.10 113.70 115.50 1ykm s SER 10 Ca 0.76 1.38 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 1ykm s SER 10 Cb -0.39 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 61.45 1ykm s SER 10 CO 0.44 -0.51 -0.03 -1.10 1.20 0.00 0.00 173.24 173.24 1ykm s GLN 11 N -3.99 0.61 0.57 5.44 -1.52 -1.20 -4.90 119.66 114.67 1ykm s GLN 11 Ca 0.56 -1.20 -0.21 0.00 -1.95 0.00 0.00 55.36 52.56 1ykm s GLN 11 Cb -0.10 0.18 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 1ykm s GLN 11 CO 0.32 -0.10 1.32 -0.08 -0.25 0.00 0.00 175.29 176.49 1ykm s THR 12 N -3.79 2.18 -0.03 -0.19 -1.32 -1.22 -4.75 115.64 106.52 1ykm s THR 12 Ca 0.06 0.13 0.31 0.00 -1.21 0.00 0.00 61.69 60.98 1ykm s THR 12 Cb 0.07 -3.06 0.37 0.00 -1.51 0.00 0.00 72.50 68.36 1ykm s THR 12 CO -0.09 -0.01 1.92 0.00 -2.21 0.00 0.00 174.62 174.23 1ykm h ALA 13 N 1.25 1.00 0.00 11.08 0.00 -1.76 -3.50 119.26 127.34 1ykm h ALA 13 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ykm h ALA 13 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ykm h ALA 13 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1ykm n GLY 14 N 0.10 -1.77 0.23 0.00 0.00 -1.26 -4.13 105.19 98.36 1ykm n GLY 14 Ca 0.01 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1ykm n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykm h PRO 15 N 0.00 0.00 -0.97 1.61 0.13 -1.92 -3.18 132.00 127.67 1ykm h PRO 15 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1ykm h PRO 15 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 1ykm h PRO 15 CO 0.00 0.23 0.25 0.66 -0.23 0.00 0.00 178.00 178.92 1ykm n TYR 16 N -3.79 3.06 0.27 1.56 4.01 -1.26 -4.65 117.16 116.35 1ykm n TYR 16 Ca -0.02 -2.72 0.12 0.00 -0.16 0.00 0.00 57.90 55.12 1ykm n TYR 16 Cb 0.33 -1.02 0.74 0.00 -0.31 0.00 0.00 39.34 39.08 1ykm n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykm h VAL 17 N 1.50 0.67 0.00 -0.72 3.04 -1.70 -2.83 116.25 116.20 1ykm h VAL 17 Ca 0.52 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 65.79 1ykm h VAL 17 Cb 1.03 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1ykm h VAL 17 CO 1.28 0.09 -0.12 0.45 -1.01 0.00 0.00 177.57 178.26 1ykm h HIS 18 N 0.00 0.00 0.00 3.17 3.86 -1.86 -2.25 115.15 118.07 1ykm h HIS 18 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1ykm h HIS 18 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1ykm h HIS 18 CO 0.00 0.12 -0.17 -0.84 0.86 0.00 0.00 177.93 177.90 1ykm h ILE 19 N 0.00 0.47 0.00 2.45 3.07 -1.75 -1.09 117.51 120.66 1ykm h ILE 19 Ca -0.00 -0.92 -0.14 0.00 1.55 0.00 0.00 64.86 65.35 1ykm h ILE 19 Cb 0.26 1.64 -0.03 0.00 -0.27 0.00 0.00 36.82 38.42 1ykm h ILE 19 CO 0.02 0.17 -1.78 0.61 -1.05 0.00 0.00 178.15 176.11 1ykm n GLY 20 N -0.03 -0.64 0.01 0.16 0.00 -1.12 -4.59 105.19 98.97 1ykm n GLY 20 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ykm n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykm n LEU 21 N -2.28 0.89 -2.78 0.99 4.77 -0.86 -4.83 117.00 112.91 1ykm n LEU 21 Ca -0.13 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 54.81 1ykm n LEU 21 Cb 0.69 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1ykm n LEU 21 CO 0.28 0.22 0.28 0.00 -1.33 0.00 0.00 177.39 176.84 1ykm n ALA 22 N -0.11 -0.40 -0.32 -1.18 0.00 -0.46 -4.98 120.51 113.06 1ykm n ALA 22 Ca 0.00 -1.68 0.17 0.00 0.00 0.00 0.00 53.44 51.93 1ykm n ALA 22 Cb 0.00 -1.13 0.36 0.00 0.00 0.00 0.00 19.45 18.69 1ykm n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykm h LEU 23 N 2.97 0.44 -0.29 0.00 4.07 -1.69 -1.86 115.31 118.94 1ykm h LEU 23 Ca -0.08 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1ykm h LEU 23 Cb 1.09 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1ykm h LEU 23 CO 0.17 -0.01 0.06 -0.08 -1.08 0.00 0.00 178.44 177.50 1ykm h GLU 24 N 0.42 0.48 0.00 1.13 4.81 -1.87 -2.26 114.58 117.30 1ykm h GLU 24 Ca 0.62 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1ykm h GLU 24 Cb 1.23 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ykm h GLU 24 CO -0.54 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 1ykm h ALA 25 N 0.89 1.00 -0.02 2.92 0.00 -1.70 -2.06 119.26 120.29 1ykm h ALA 25 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ykm h ALA 25 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ykm h ALA 25 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 1ykm n ALA 26 N -1.90 2.57 -1.18 0.00 0.00 -0.82 -4.95 120.51 114.23 1ykm n ALA 26 Ca 0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1ykm n ALA 26 Cb 0.23 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1ykm n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykm n GLY 27 N 1.26 0.82 3.86 0.00 0.00 -0.78 -4.98 105.19 105.38 1ykm n GLY 27 Ca 0.16 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1ykm n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykm s ASN 28 N -2.64 5.78 0.33 1.61 0.01 -0.88 -5.05 114.94 114.10 1ykm s ASN 28 Ca 0.00 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.78 1ykm s ASN 28 Cb 0.00 -1.57 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 1ykm s ASN 28 CO 0.00 0.01 1.30 -2.16 -1.51 0.00 0.00 177.10 174.74 1ykm s PRO 29 N -3.50 4.36 0.47 -0.60 0.04 -1.26 -4.19 135.00 130.33 1ykm s PRO 29 Ca 0.33 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1ykm s PRO 29 Cb -0.09 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1ykm s PRO 29 CO 0.26 -0.18 0.77 0.95 0.04 0.00 0.00 177.00 178.84 1ykm s THR 30 N -1.14 4.91 0.67 1.26 -4.23 -1.26 -4.89 115.64 110.95 1ykm s THR 30 Ca 0.49 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1ykm s THR 30 Cb -0.39 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.67 1ykm s THR 30 CO 0.53 -0.83 0.94 -0.13 -0.54 0.00 0.00 174.62 174.58 1ykm s ARG 31 N -4.72 2.05 0.16 3.99 0.52 -1.26 -5.02 118.95 114.67 1ykm s ARG 31 Ca 0.47 -0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 54.73 1ykm s ARG 31 Cb -0.10 -2.33 0.07 0.00 0.52 0.00 0.00 34.95 33.11 1ykm s ARG 31 CO 0.44 -1.19 1.66 -0.44 0.02 0.00 0.00 175.30 175.79 1ykm h ASP 32 N -0.39 -0.50 -3.19 0.23 3.32 -2.07 -3.40 116.42 110.41 1ykm h ASP 32 Ca -0.41 0.13 -0.67 0.00 0.02 0.00 0.00 57.03 56.10 1ykm h ASP 32 Cb 1.29 0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.79 1ykm h ASP 32 CO 0.49 -0.18 -0.85 -1.10 -1.72 0.00 0.00 179.24 175.88 1ykm s GLN 33 N -6.17 3.07 0.15 3.56 -0.21 -1.26 -5.13 119.66 113.66 1ykm s GLN 33 Ca -0.14 -0.82 0.09 0.00 0.02 0.00 0.00 55.36 54.50 1ykm s GLN 33 Cb 0.14 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 1ykm s GLN 33 CO 0.70 -0.06 -0.19 -1.21 -2.12 0.00 0.00 175.29 172.40 1ykm s GLU 34 N 0.95 1.24 -0.45 2.91 0.41 -1.26 -5.11 118.70 117.38 1ykm s GLU 34 Ca -0.03 -1.34 -0.15 0.00 -0.41 0.00 0.00 54.97 53.04 1ykm s GLU 34 Cb -0.15 -1.37 0.06 0.00 -1.78 0.00 0.00 34.13 30.88 1ykm s GLU 34 CO -0.04 0.29 0.36 0.42 -0.49 0.00 0.00 175.26 175.81 1ykm s ILE 35 N -1.75 5.24 0.00 -1.63 1.01 -1.26 -5.04 121.20 117.78 1ykm s ILE 35 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1ykm s ILE 35 Cb -0.07 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1ykm s ILE 35 CO 0.06 -0.49 0.00 1.87 0.00 0.00 0.00 174.94 176.38 1ykm n TRP 36 N 5.19 0.00 1.69 3.97 -0.00 -1.26 -4.49 117.44 122.54 1ykm n TRP 36 Ca -0.12 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.50 1ykm n TRP 36 Cb 0.45 0.00 0.72 0.00 -0.00 0.00 0.00 31.31 32.48 1ykm n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykm n ASN 37 N -0.21 0.00 -4.39 5.87 6.94 -0.57 -2.36 115.26 120.54 1ykm n ASN 37 Ca 0.00 -0.93 -0.45 0.00 -0.02 0.00 0.00 54.58 53.18 1ykm n ASN 37 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1ykm n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykm s ARG 38 N -2.00 3.86 0.15 -3.83 6.06 -1.26 -1.33 118.95 120.60 1ykm s ARG 38 Ca 0.37 -2.52 -0.01 0.00 -2.50 0.00 0.00 55.73 51.08 1ykm s ARG 38 Cb 0.17 -4.72 -0.04 0.00 0.06 0.00 0.00 34.95 30.42 1ykm s ARG 38 CO 0.28 -1.50 1.35 -0.07 -2.50 0.00 0.00 175.30 172.86 1ykm h LEU 39 N 8.54 0.38 -8.41 -0.88 4.07 -1.37 -3.46 115.31 114.18 1ykm h LEU 39 Ca 0.18 -0.31 -0.63 0.00 0.08 0.00 0.00 57.88 57.21 1ykm h LEU 39 Cb 0.96 -0.12 -0.31 0.00 1.08 0.00 0.00 40.66 42.28 1ykm h LEU 39 CO 1.01 1.10 -0.86 0.00 -1.08 0.00 0.00 178.44 178.61 1ykm s ALA 40 N -3.24 1.84 0.24 1.53 0.00 -1.18 -1.05 121.76 119.90 1ykm s ALA 40 Ca -0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1ykm s ALA 40 Cb 0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 1ykm s ALA 40 CO 0.84 0.40 0.61 0.15 0.00 0.00 0.00 175.76 177.76 1ykm s LYS 41 N -0.29 3.90 0.53 0.00 1.02 -0.04 -4.82 119.74 120.05 1ykm s LYS 41 Ca 0.02 0.44 0.45 0.00 0.02 0.00 0.00 55.97 56.90 1ykm s LYS 41 Cb -0.11 -2.64 1.67 0.00 -0.52 0.00 0.00 37.83 36.23 1ykm s LYS 41 CO 0.01 0.30 1.61 -1.35 -0.92 0.00 0.00 175.35 175.00 1ykm h PRO 42 N 2.66 0.01 -0.73 -1.68 0.11 -2.00 -0.89 132.00 129.47 1ykm h PRO 42 Ca -0.47 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1ykm h PRO 42 Cb 1.18 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1ykm h PRO 42 CO 0.67 0.01 0.16 -0.40 -0.21 0.00 0.00 178.00 178.23 1ykm n ASP 43 N -4.11 4.77 -4.80 -2.05 5.75 -1.26 -4.96 116.55 109.88 1ykm n ASP 43 Ca 0.41 -2.98 -0.39 0.00 -0.01 0.00 0.00 54.79 51.82 1ykm n ASP 43 Cb 1.82 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 41.15 1ykm n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykm s ALA 44 N -2.65 3.55 0.51 2.12 0.00 -0.34 -5.05 121.76 119.91 1ykm s ALA 44 Ca 0.49 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1ykm s ALA 44 Cb 0.38 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 1ykm s ALA 44 CO 0.13 0.38 1.23 -1.25 0.00 0.00 0.00 175.76 176.24 1ykm s PRO 45 N -1.18 3.41 0.00 0.00 0.04 -1.26 -4.91 135.00 131.10 1ykm s PRO 45 Ca 0.31 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1ykm s PRO 45 Cb -0.20 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ykm s PRO 45 CO 0.21 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1ykm n GLY 46 N 0.53 1.21 3.60 0.56 0.00 -1.26 -4.63 105.19 105.19 1ykm n GLY 46 Ca 0.10 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1ykm n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 47 N -1.50 3.75 -0.06 1.61 2.12 -1.26 -4.95 118.70 118.41 1ykm s GLU 47 Ca 0.00 0.57 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 1ykm s GLU 47 Cb 0.00 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1ykm s GLU 47 CO 0.00 -1.24 1.33 -1.01 -0.54 0.00 0.00 175.26 173.80 1ykm s HIS 48 N 4.11 2.89 0.27 5.30 3.76 -1.26 -1.42 115.29 128.93 1ykm s HIS 48 Ca 0.45 0.93 0.06 0.00 -0.15 0.00 0.00 55.06 56.35 1ykm s HIS 48 Cb -0.09 -3.57 -0.06 0.00 1.11 0.00 0.00 32.58 29.97 1ykm s HIS 48 CO 0.27 -2.04 -0.03 0.96 -0.85 0.00 0.00 174.74 173.04 1ykm s ILE 49 N 2.70 1.46 -0.08 0.60 -4.36 -0.20 -4.66 121.20 116.67 1ykm s ILE 49 Ca 0.60 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1ykm s ILE 49 Cb -0.27 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 40.98 1ykm s ILE 49 CO 0.23 -0.28 -0.20 -0.22 0.24 0.00 0.00 174.94 174.70 1ykm s LEU 50 N -3.41 1.95 -0.05 0.37 2.96 -0.72 -2.70 118.68 117.07 1ykm s LEU 50 Ca 0.30 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1ykm s LEU 50 Cb 0.05 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 1ykm s LEU 50 CO 0.11 0.14 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.39 1ykm s LEU 51 N 0.33 2.80 0.07 -0.68 1.43 0.14 -1.59 118.68 121.19 1ykm s LEU 51 Ca -0.14 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1ykm s LEU 51 Cb -0.16 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1ykm s LEU 51 CO 0.06 0.35 0.24 -1.48 0.23 0.00 0.00 176.35 175.75 1ykm s LEU 52 N -0.73 1.15 -0.03 1.79 0.05 -0.94 -1.10 118.68 118.87 1ykm s LEU 52 Ca 0.11 -0.44 -0.31 0.00 0.05 0.00 0.00 54.13 53.55 1ykm s LEU 52 Cb -0.11 1.19 0.12 0.00 -2.05 0.00 0.00 46.19 45.35 1ykm s LEU 52 CO 0.01 -0.68 1.32 -0.83 -0.55 0.00 0.00 176.35 175.62 1ykm s GLY 53 N -2.49 -0.40 0.09 -3.48 0.00 -1.14 -1.09 107.32 98.80 1ykm s GLY 53 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 44.72 45.46 1ykm s GLY 53 CO -0.08 0.85 -0.18 1.20 0.00 0.00 0.00 173.10 174.89 1ykm s GLN 54 N -2.29 1.00 -0.15 2.90 -0.21 -1.26 -2.06 119.66 117.59 1ykm s GLN 54 Ca 0.16 -1.07 -0.03 0.00 0.02 0.00 0.00 55.36 54.44 1ykm s GLN 54 Cb 0.05 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.88 1ykm s GLN 54 CO -0.04 0.26 -0.05 0.08 -2.12 0.00 0.00 175.29 173.43 1ykm s VAL 55 N -1.20 3.82 -0.02 1.09 1.01 -1.26 -1.68 120.40 122.16 1ykm s VAL 55 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1ykm s VAL 55 Cb -0.10 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1ykm s VAL 55 CO 0.03 0.50 -0.23 -0.31 0.00 0.00 0.00 175.10 175.09 1ykm s TYR 56 N 0.35 2.43 0.20 5.22 1.51 0.25 -0.65 117.35 126.66 1ykm s TYR 56 Ca -0.05 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1ykm s TYR 56 Cb -0.14 -1.52 0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1ykm s TYR 56 CO 0.03 0.05 0.27 -0.40 -1.11 0.00 0.00 175.55 174.39 1ykm n ASP 57 N 2.29 0.26 0.12 2.29 5.68 -0.33 -1.42 116.55 125.44 1ykm n ASP 57 Ca -0.16 -1.25 0.11 0.00 -0.50 0.00 0.00 54.79 52.99 1ykm n ASP 57 Cb 0.51 -0.19 0.48 0.00 -1.14 0.00 0.00 41.12 40.79 1ykm n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykm n GLY 58 N 3.01 -1.17 1.17 6.12 0.00 -1.26 -2.34 105.19 110.71 1ykm n GLY 58 Ca 0.04 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1ykm n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykm n ASN 59 N -2.17 3.53 0.00 1.61 3.02 -1.26 -4.74 115.26 115.25 1ykm n ASN 59 Ca 0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1ykm n ASN 59 Cb 0.19 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1ykm n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykm n GLY 60 N 1.49 0.43 3.91 7.41 0.00 -0.99 -5.04 105.19 112.40 1ykm n GLY 60 Ca 0.20 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1ykm n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykm s HIS 61 N -2.00 3.52 0.22 1.61 3.76 -1.26 -4.85 115.29 116.29 1ykm s HIS 61 Ca 0.00 0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.96 1ykm s HIS 61 Cb 0.00 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 1ykm s HIS 61 CO 0.00 0.57 1.36 -0.51 -0.85 0.00 0.00 174.74 175.32 1ykm s LEU 62 N -2.37 4.41 -0.59 0.89 1.43 -1.26 -1.19 118.68 119.99 1ykm s LEU 62 Ca 0.34 2.51 -0.18 0.00 -1.03 0.00 0.00 54.13 55.78 1ykm s LEU 62 Cb -0.13 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.59 1ykm s LEU 62 CO 0.25 -0.59 0.66 -0.69 0.23 0.00 0.00 176.35 176.20 1ykm s VAL 63 N 0.02 4.96 -2.17 -1.59 1.01 0.18 -4.88 120.40 117.93 1ykm s VAL 63 Ca 0.57 -1.21 0.21 0.00 0.00 0.00 0.00 61.98 61.55 1ykm s VAL 63 Cb -0.39 -4.45 0.50 0.00 0.00 0.00 0.00 36.38 32.04 1ykm s VAL 63 CO 0.41 -1.06 1.64 0.54 0.00 0.00 0.00 175.10 176.63 1ykm n ARG 64 N 5.93 1.43 -0.43 2.72 1.74 -1.26 -3.93 116.66 122.85 1ykm n ARG 64 Ca -0.09 -0.64 0.07 0.00 -0.77 0.00 0.00 57.85 56.42 1ykm n ARG 64 Cb 0.42 -1.36 0.12 0.00 -1.02 0.00 0.00 32.46 30.62 1ykm n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykm n ASP 65 N -0.15 1.64 -4.80 0.55 5.68 -1.25 -3.44 116.55 114.77 1ykm n ASP 65 Ca 0.16 -3.01 -0.34 0.00 -0.50 0.00 0.00 54.79 51.09 1ykm n ASP 65 Cb 0.22 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 39.76 1ykm n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykm s SER 66 N -2.57 6.48 -0.07 -1.12 1.04 -1.25 -4.59 113.70 111.62 1ykm s SER 66 Ca 0.28 1.87 0.01 0.00 0.48 0.00 0.00 55.95 58.59 1ykm s SER 66 Cb 0.27 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.85 1ykm s SER 66 CO -0.02 -0.69 -0.09 0.12 0.98 0.00 0.00 173.24 173.55 1ykm s PHE 67 N -2.04 1.27 0.01 5.02 5.36 0.11 -2.25 117.98 125.46 1ykm s PHE 67 Ca 0.66 -0.50 0.08 0.00 -0.96 0.00 0.00 56.93 56.21 1ykm s PHE 67 Cb -0.15 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.50 1ykm s PHE 67 CO 0.19 -0.33 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.86 1ykm s LEU 68 N 1.07 2.10 -0.08 6.12 1.02 0.09 -0.60 118.68 128.41 1ykm s LEU 68 Ca -0.07 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.62 1ykm s LEU 68 Cb -0.14 -1.23 0.00 0.00 0.02 0.00 0.00 46.19 44.84 1ykm s LEU 68 CO -0.01 0.27 -0.20 -1.61 0.02 0.00 0.00 176.35 174.82 1ykm s GLU 69 N -0.84 2.50 0.06 1.70 2.02 -0.60 -1.37 118.70 122.16 1ykm s GLU 69 Ca 0.10 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.44 1ykm s GLU 69 Cb -0.09 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1ykm s GLU 69 CO 0.00 0.17 -0.21 0.14 0.02 0.00 0.00 175.26 175.38 1ykm s VAL 70 N 0.33 2.57 -0.09 2.63 -7.23 -0.33 -1.22 120.40 117.06 1ykm s VAL 70 Ca -0.14 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1ykm s VAL 70 Cb -0.16 -2.08 0.04 0.00 0.56 0.00 0.00 36.38 34.74 1ykm s VAL 70 CO 0.06 0.30 0.06 0.86 -0.31 0.00 0.00 175.10 176.07 1ykm s TRP 71 N -0.92 0.23 0.06 2.82 -0.11 -0.15 -2.49 118.94 118.38 1ykm s TRP 71 Ca 0.14 -0.03 -0.05 0.00 1.22 0.00 0.00 56.10 57.38 1ykm s TRP 71 Cb -0.10 -0.61 -0.02 0.00 -1.50 0.00 0.00 33.47 31.23 1ykm s TRP 71 CO 0.05 -0.33 0.08 1.14 -4.62 0.00 0.00 176.95 173.28 1ykm s GLN 72 N 2.12 0.68 0.66 5.86 -2.07 -0.71 -0.98 119.66 125.21 1ykm s GLN 72 Ca 0.04 -0.97 -0.06 0.00 -1.82 0.00 0.00 55.36 52.55 1ykm s GLN 72 Cb -0.14 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1ykm s GLN 72 CO -0.05 -0.17 0.96 0.00 -1.32 0.00 0.00 175.29 174.71 1ykm s ALA 73 N -3.43 3.23 0.94 2.60 0.00 -1.26 -4.54 121.76 119.30 1ykm s ALA 73 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1ykm s ALA 73 Cb 0.04 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.62 1ykm s ALA 73 CO -0.08 -1.08 0.33 -0.40 0.00 0.00 0.00 175.76 174.52 1ykm n ASP 74 N -2.77 0.06 0.25 0.00 5.68 0.11 -4.38 116.55 115.50 1ykm n ASP 74 Ca 0.07 -1.14 0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1ykm n ASP 74 Cb 0.59 -0.25 0.67 0.00 -1.14 0.00 0.00 41.12 41.00 1ykm n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykm h ALA 75 N -1.77 1.43 -0.11 2.12 0.00 -1.82 0.44 119.26 119.54 1ykm h ALA 75 Ca -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ykm h ALA 75 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ykm h ALA 75 CO 0.08 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1ykm n ASN 76 N -3.86 1.62 -0.38 0.00 3.02 -1.26 -3.86 115.26 110.53 1ykm n ASN 76 Ca -0.02 -1.63 -0.02 0.00 -0.03 0.00 0.00 54.58 52.88 1ykm n ASN 76 Cb 0.23 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1ykm n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykm n GLY 77 N 1.15 0.44 3.21 7.41 0.00 -0.73 -4.83 105.19 111.83 1ykm n GLY 77 Ca 0.17 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1ykm n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykm s GLU 78 N -4.39 1.58 -0.32 1.61 2.02 -1.26 -4.69 118.70 113.26 1ykm s GLU 78 Ca 0.02 -0.72 -0.23 0.00 0.02 0.00 0.00 54.97 54.05 1ykm s GLU 78 Cb -0.01 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.68 1ykm s GLU 78 CO 0.02 0.42 0.77 0.71 0.02 0.00 0.00 175.26 177.20 1ykm s TYR 79 N -0.49 3.18 -0.79 1.61 1.51 -1.26 -0.72 117.35 120.40 1ykm s TYR 79 Ca 0.08 0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 56.68 1ykm s TYR 79 Cb -0.08 -3.24 0.14 0.00 -0.11 0.00 0.00 41.96 38.68 1ykm s TYR 79 CO -0.01 -0.60 0.91 -0.65 -1.11 0.00 0.00 175.55 174.10 1ykm s GLN 80 N 2.95 3.40 0.23 -0.62 -1.52 -1.26 -4.90 119.66 117.94 1ykm s GLN 80 Ca 0.31 -1.72 0.11 0.00 -1.95 0.00 0.00 55.36 52.11 1ykm s GLN 80 Cb -0.14 -4.56 0.16 0.00 -0.22 0.00 0.00 33.01 28.25 1ykm s GLN 80 CO 0.13 -1.60 1.49 0.38 -0.25 0.00 0.00 175.29 175.45 1ykm h ASP 81 N 8.76 0.00 -1.06 5.90 2.03 -1.98 -3.24 116.42 126.82 1ykm h ASP 81 Ca -0.02 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.82 1ykm h ASP 81 Cb 1.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 1ykm h ASP 81 CO 1.03 0.72 1.12 0.00 -1.03 0.00 0.00 179.24 181.08 1ykm s ALA 82 N -3.22 2.21 0.01 4.15 0.00 -1.26 -4.96 121.76 118.69 1ykm s ALA 82 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1ykm s ALA 82 Cb 0.11 -4.51 -0.06 0.00 0.00 0.00 0.00 23.12 18.66 1ykm s ALA 82 CO 0.77 -4.16 1.45 -0.47 0.00 0.00 0.00 175.76 173.35 1ykm s TYR 83 N 7.58 2.78 -0.20 0.00 5.04 -1.26 -5.01 117.35 126.28 1ykm s TYR 83 Ca 0.58 0.73 -0.17 0.00 -2.44 0.00 0.00 57.07 55.77 1ykm s TYR 83 Cb -0.04 -3.72 0.06 0.00 0.35 0.00 0.00 41.96 38.61 1ykm s TYR 83 CO -0.03 -2.70 0.53 1.21 -1.34 0.00 0.00 175.55 173.22 1ykm s ASN 84 N 1.96 -0.59 0.00 4.32 3.84 -1.26 -5.05 114.94 118.16 1ykm s ASN 84 Ca 0.66 1.09 0.28 0.00 0.21 0.00 0.00 52.86 55.10 1ykm s ASN 84 Cb -0.33 1.07 1.53 0.00 -0.55 0.00 0.00 41.25 42.97 1ykm s ASN 84 CO 0.28 -0.19 1.99 0.18 -2.79 0.00 0.00 177.10 176.57 1ykm n LEU 85 N 3.23 0.00 0.08 3.21 4.77 -1.26 -3.00 117.00 124.04 1ykm n LEU 85 Ca -0.16 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1ykm n LEU 85 Cb 0.56 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1ykm n LEU 85 CO 0.08 -0.02 0.00 -0.62 -1.33 0.00 0.00 177.39 175.50 1ykm n GLU 86 N -1.17 0.54 -2.12 3.23 1.02 -1.26 -4.95 120.64 115.93 1ykm n GLU 86 Ca 0.17 0.08 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 1ykm n GLU 86 Cb 0.17 -1.77 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 1ykm n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykm s ASN 87 N -5.03 5.57 0.31 1.62 0.01 -1.16 -4.95 114.94 111.31 1ykm s ASN 87 Ca 0.00 2.34 0.13 0.00 -0.71 0.00 0.00 52.86 54.62 1ykm s ASN 87 Cb 0.11 -2.60 0.47 0.00 0.41 0.00 0.00 41.25 39.64 1ykm s ASN 87 CO 0.79 -1.33 1.66 0.00 -1.51 0.00 0.00 177.10 176.71 1ykm h ALA 88 N 1.28 0.99 -3.50 0.60 0.00 -1.92 -3.44 119.26 113.27 1ykm h ALA 88 Ca -0.50 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 53.72 1ykm h ALA 88 Cb 1.28 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1ykm h ALA 88 CO 0.57 0.67 -0.61 0.12 0.00 0.00 0.00 179.25 179.99 1ykm s PHE 89 N -3.62 -0.10 -0.05 0.00 5.36 -1.26 -0.86 117.98 117.45 1ykm s PHE 89 Ca -0.01 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.23 1ykm s PHE 89 Cb 0.12 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1ykm s PHE 89 CO 0.74 -0.05 -0.13 -0.80 -1.46 0.00 0.00 175.22 173.51 1ykm s ASN 90 N 0.03 1.78 0.15 6.13 0.01 -0.21 -4.98 114.94 117.85 1ykm s ASN 90 Ca -0.00 -0.29 0.25 0.00 -0.71 0.00 0.00 52.86 52.10 1ykm s ASN 90 Cb -0.01 -0.61 0.92 0.00 0.41 0.00 0.00 41.25 41.96 1ykm s ASN 90 CO 0.00 0.09 1.75 -1.20 -1.51 0.00 0.00 177.10 176.23 1ykm n SER 91 N 3.42 0.51 -4.56 -1.22 7.64 -1.23 -4.74 113.62 113.45 1ykm n SER 91 Ca -0.20 0.58 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 1ykm n SER 91 Cb 0.53 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 1ykm n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykm s PHE 92 N -3.13 2.75 0.04 1.43 5.36 -1.26 -1.73 117.98 121.44 1ykm s PHE 92 Ca 0.09 -0.14 -0.27 0.00 -0.96 0.00 0.00 56.93 55.65 1ykm s PHE 92 Cb 0.12 -1.49 0.09 0.00 -0.34 0.00 0.00 43.02 41.40 1ykm s PHE 92 CO 0.49 0.38 0.76 0.20 -1.46 0.00 0.00 175.22 175.59 1ykm s GLY 93 N -1.82 -0.52 0.01 13.12 0.00 -1.04 -4.82 107.32 112.24 1ykm s GLY 93 Ca 0.19 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.91 1ykm s GLY 93 CO 0.10 0.42 -0.14 0.50 0.00 0.00 0.00 173.10 173.99 1ykm s ARG 94 N -2.90 1.06 0.20 2.90 0.52 -1.00 -1.19 118.95 118.55 1ykm s ARG 94 Ca 0.01 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1ykm s ARG 94 Cb -0.01 -1.04 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 1ykm s ARG 94 CO -0.07 0.28 0.23 -0.08 0.02 0.00 0.00 175.30 175.68 1ykm s THR 95 N -0.48 0.01 0.23 0.02 -1.32 -0.47 -1.51 115.64 112.12 1ykm s THR 95 Ca 0.04 -1.78 -0.19 0.00 -1.21 0.00 0.00 61.69 58.55 1ykm s THR 95 Cb -0.06 -2.33 0.03 0.00 -1.51 0.00 0.00 72.50 68.62 1ykm s THR 95 CO 0.00 -0.06 0.61 0.00 -2.21 0.00 0.00 174.62 172.96 1ykm s ALA 96 N -4.10 -1.05 -0.13 11.08 0.00 -1.26 -0.73 121.76 125.57 1ykm s ALA 96 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 1ykm s ALA 96 Cb 0.05 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1ykm s ALA 96 CO 0.09 -0.90 -0.13 0.95 0.00 0.00 0.00 175.76 175.77 1ykm s THR 97 N -3.89 2.99 0.53 0.00 -4.23 -0.95 -4.17 115.64 105.91 1ykm s THR 97 Ca 0.11 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1ykm s THR 97 Cb -0.03 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1ykm s THR 97 CO 0.01 0.52 0.28 0.42 -0.54 0.00 0.00 174.62 175.32 1ykm s THR 98 N 0.41 1.56 0.30 3.99 -4.23 0.13 -3.84 115.64 113.95 1ykm s THR 98 Ca -0.10 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 1ykm s THR 98 Cb -0.16 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.54 1ykm s THR 98 CO 0.05 0.00 1.73 -0.26 -0.54 0.00 0.00 174.62 175.60 1ykm h PHE 99 N 0.95 0.00 -0.01 3.99 0.04 -1.94 -2.78 116.94 117.19 1ykm h PHE 99 Ca -0.39 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.20 1ykm h PHE 99 Cb 1.30 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 1ykm h PHE 99 CO 1.11 0.47 -0.69 -0.44 -0.60 0.00 0.00 178.31 178.16 1ykm h ASP 100 N 0.00 0.63 -3.53 2.17 5.19 -1.95 -3.40 116.42 115.53 1ykm h ASP 100 Ca -0.00 -0.74 -0.61 0.00 -0.62 0.00 0.00 57.03 55.05 1ykm h ASP 100 Cb 0.87 -0.19 -0.40 0.00 0.18 0.00 0.00 39.33 39.79 1ykm h ASP 100 CO 0.06 1.29 -0.73 0.00 -3.12 0.00 0.00 179.24 176.74 1ykm s ALA 101 N -3.29 2.21 -1.66 3.45 0.00 -1.16 -4.98 121.76 116.32 1ykm s ALA 101 Ca -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.43 1ykm s ALA 101 Cb 0.05 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1ykm s ALA 101 CO 0.85 -1.90 0.65 0.41 0.00 0.00 0.00 175.76 175.77 1ykm n GLY 102 N 3.95 -0.12 2.99 0.00 0.00 -1.06 0.17 105.19 111.12 1ykm n GLY 102 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1ykm n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 103 N -1.66 1.73 0.36 1.61 2.12 -1.26 -4.61 118.70 116.99 1ykm s GLU 103 Ca 0.00 -0.38 -0.15 0.00 0.36 0.00 0.00 54.97 54.80 1ykm s GLU 103 Cb 0.00 -1.56 -0.09 0.00 0.26 0.00 0.00 34.13 32.75 1ykm s GLU 103 CO 0.00 -0.10 0.77 1.67 -0.54 0.00 0.00 175.26 177.07 1ykm s TRP 104 N 1.09 3.39 0.04 5.30 1.48 -0.88 -4.78 118.94 124.59 1ykm s TRP 104 Ca -0.06 1.23 0.03 0.00 -1.06 0.00 0.00 56.10 56.24 1ykm s TRP 104 Cb -0.14 -2.55 -0.02 0.00 -1.16 0.00 0.00 33.47 29.59 1ykm s TRP 104 CO -0.02 0.01 -0.10 0.95 -4.06 0.00 0.00 176.95 173.73 1ykm s THR 105 N -2.11 0.80 -0.07 0.66 -4.23 -1.26 -2.89 115.64 106.54 1ykm s THR 105 Ca 0.54 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1ykm s THR 105 Cb -0.10 -0.77 0.04 0.00 1.34 0.00 0.00 72.50 73.01 1ykm s THR 105 CO 0.20 -0.16 0.14 -0.22 -0.54 0.00 0.00 174.62 174.04 1ykm s LEU 106 N -1.26 0.38 -0.35 4.79 2.96 -0.25 -4.83 118.68 120.12 1ykm s LEU 106 Ca -0.03 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 1ykm s LEU 106 Cb -0.08 0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.91 1ykm s LEU 106 CO 0.01 -0.19 0.20 -1.00 -1.32 0.00 0.00 176.35 174.04 1ykm s HIS 107 N 1.67 3.22 0.06 5.38 3.76 -0.44 -0.68 115.29 128.27 1ykm s HIS 107 Ca -0.04 -0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 54.08 1ykm s HIS 107 Cb -0.12 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.15 1ykm s HIS 107 CO -0.06 -0.57 0.10 -2.37 -0.85 0.00 0.00 174.74 170.99 1ykm n THR 108 N 5.01 0.00 -4.28 1.30 5.66 -1.10 -1.10 114.28 119.77 1ykm n THR 108 Ca -0.12 -0.28 -0.23 0.00 -3.05 0.00 0.00 64.05 60.37 1ykm n THR 108 Cb 0.47 0.19 -0.07 0.00 -1.55 0.00 0.00 70.33 69.37 1ykm n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykm s VAL 109 N -2.59 3.50 -0.05 1.08 -7.23 -1.26 -1.03 120.40 112.82 1ykm s VAL 109 Ca 0.05 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 1ykm s VAL 109 Cb -0.00 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1ykm s VAL 109 CO 0.03 -0.37 1.34 -0.75 -0.31 0.00 0.00 175.10 175.05 1ykm s LYS 110 N -3.69 4.29 0.62 4.82 2.20 -0.51 -4.86 119.74 122.60 1ykm s LYS 110 Ca 0.32 1.85 -0.17 0.00 -0.36 0.00 0.00 55.97 57.61 1ykm s LYS 110 Cb -0.06 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1ykm s LYS 110 CO 0.20 -0.58 1.14 -1.25 -0.36 0.00 0.00 175.35 174.51 1ykm s PRO 111 N 2.65 2.94 0.86 4.03 0.04 -1.26 -4.14 135.00 140.11 1ykm s PRO 111 Ca 0.61 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1ykm s PRO 111 Cb -0.28 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.49 1ykm s PRO 111 CO 0.23 -1.17 1.18 0.20 0.04 0.00 0.00 177.00 177.48 1ykm s GLY 112 N -2.08 1.78 0.11 0.56 0.00 0.15 -4.76 107.32 103.08 1ykm s GLY 112 Ca 0.72 -1.56 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 1ykm s GLY 112 CO 0.36 -0.85 0.88 0.14 0.00 0.00 0.00 173.10 173.62 1ykm s VAL 113 N -3.56 4.51 0.07 1.40 1.01 -1.26 -4.60 120.40 117.96 1ykm s VAL 113 Ca 0.72 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.66 1ykm s VAL 113 Cb -0.04 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1ykm s VAL 113 CO 0.49 0.38 -0.18 0.68 0.00 0.00 0.00 175.10 176.47 1ykm s VAL 114 N -0.28 1.46 0.33 2.92 -7.23 -1.26 -4.48 120.40 111.86 1ykm s VAL 114 Ca 0.42 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1ykm s VAL 114 Cb -0.23 -1.32 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 1ykm s VAL 114 CO 0.28 -0.00 0.65 0.20 -0.31 0.00 0.00 175.10 175.91 1ykm s ASN 115 N -1.50 6.51 0.76 4.85 0.01 -1.26 -1.13 114.94 123.17 1ykm s ASN 115 Ca 0.04 0.94 -0.04 0.00 -0.71 0.00 0.00 52.86 53.09 1ykm s ASN 115 Cb -0.09 -2.24 0.08 0.00 0.41 0.00 0.00 41.25 39.41 1ykm s ASN 115 CO 0.03 -0.27 0.52 -0.46 -1.51 0.00 0.00 177.10 175.41 1ykm n ASN 116 N -0.97 0.34 0.13 -1.22 6.94 -0.55 -4.88 115.26 115.06 1ykm n ASN 116 Ca 0.00 -1.37 0.09 0.00 -0.02 0.00 0.00 54.58 53.29 1ykm n ASN 116 Cb 0.54 -0.37 0.59 0.00 -2.36 0.00 0.00 39.78 38.18 1ykm n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykm h ALA 117 N -1.18 2.02 -0.37 -2.53 0.00 -1.99 -2.25 119.26 112.95 1ykm h ALA 117 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ykm h ALA 117 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ykm h ALA 117 CO 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1ykm n ALA 118 N -2.54 2.45 -0.85 0.00 0.00 -1.26 -4.93 120.51 113.37 1ykm n ALA 118 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1ykm n ALA 118 Cb 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1ykm n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykm n GLY 119 N 1.21 0.84 3.70 0.00 0.00 -0.85 -5.04 105.19 105.05 1ykm n GLY 119 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ykm n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykm s VAL 120 N -3.29 4.94 0.21 1.61 1.01 -1.26 -4.77 120.40 118.86 1ykm s VAL 120 Ca 0.00 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 1ykm s VAL 120 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1ykm s VAL 120 CO 0.00 0.14 1.40 -2.16 0.00 0.00 0.00 175.10 174.48 1ykm s PRO 121 N 1.39 4.31 0.16 2.72 0.04 -1.26 -1.48 135.00 140.88 1ykm s PRO 121 Ca 0.41 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.61 1ykm s PRO 121 Cb -0.18 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1ykm s PRO 121 CO 0.18 -0.38 0.39 -1.64 0.04 0.00 0.00 177.00 175.59 1ykm s MET 122 N -0.05 3.61 0.57 4.56 -1.94 -0.29 -4.46 119.30 121.30 1ykm s MET 122 Ca 0.60 -0.12 -0.18 0.00 -1.71 0.00 0.00 55.69 54.28 1ykm s MET 122 Cb -0.40 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 1ykm s MET 122 CO 0.39 0.44 1.10 0.00 -0.01 0.00 0.00 175.02 176.95 1ykm s ALA 123 N -1.71 2.67 -0.22 3.03 0.00 -1.26 -4.08 121.76 120.19 1ykm s ALA 123 Ca 0.41 0.64 -0.36 0.00 0.00 0.00 0.00 51.96 52.65 1ykm s ALA 123 Cb -0.12 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 1ykm s ALA 123 CO 0.25 -0.84 1.93 -2.30 0.00 0.00 0.00 175.76 174.80 1ykm n PRO 124 N -1.68 1.60 -4.16 0.00 -0.02 -1.26 -4.88 135.00 124.60 1ykm n PRO 124 Ca 0.10 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ykm n PRO 124 Cb 0.52 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1ykm n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykm s HIS 125 N 4.87 0.88 -0.11 6.00 -3.43 -1.26 -4.30 115.29 117.95 1ykm s HIS 125 Ca 0.99 -1.06 0.01 0.00 -0.80 0.00 0.00 55.06 54.20 1ykm s HIS 125 Cb -0.84 -0.52 0.02 0.00 -1.43 0.00 0.00 32.58 29.81 1ykm s HIS 125 CO 0.55 -0.31 -0.14 0.42 -2.00 0.00 0.00 174.74 173.25 1ykm s ILE 126 N -3.81 1.44 -0.16 -5.38 1.01 -0.86 -4.57 121.20 108.88 1ykm s ILE 126 Ca 0.17 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 1ykm s ILE 126 Cb 0.07 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1ykm s ILE 126 CO -0.02 0.43 0.80 0.20 0.00 0.00 0.00 174.94 176.35 1ykm s ASN 127 N 1.09 6.94 0.01 3.58 0.01 -0.16 -0.75 114.94 125.65 1ykm s ASN 127 Ca -0.05 1.15 0.08 0.00 -0.71 0.00 0.00 52.86 53.33 1ykm s ASN 127 Cb -0.14 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1ykm s ASN 127 CO -0.03 -0.35 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.33 1ykm s ILE 128 N 1.96 2.18 -0.13 0.60 1.01 -0.39 -0.98 121.20 125.46 1ykm s ILE 128 Ca 0.37 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1ykm s ILE 128 Cb -0.17 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1ykm s ILE 128 CO 0.13 0.49 -0.13 -0.44 0.00 0.00 0.00 174.94 174.99 1ykm s SER 129 N -0.90 2.47 -0.22 3.58 0.01 -0.36 -1.27 113.70 117.01 1ykm s SER 129 Ca 0.11 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 1ykm s SER 129 Cb -0.10 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1ykm s SER 129 CO 0.01 -0.04 0.07 -0.22 0.41 0.00 0.00 173.24 173.47 1ykm s LEU 130 N 1.35 3.62 0.01 2.44 2.96 0.28 -1.56 118.68 127.78 1ykm s LEU 130 Ca 0.01 -0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1ykm s LEU 130 Cb -0.13 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1ykm s LEU 130 CO -0.07 0.05 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.43 1ykm s PHE 131 N 1.13 1.94 0.02 5.38 0.40 0.23 -2.23 117.98 124.85 1ykm s PHE 131 Ca 0.05 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.72 1ykm s PHE 131 Cb -0.14 -1.21 0.11 0.00 0.51 0.00 0.00 43.02 42.29 1ykm s PHE 131 CO 0.03 0.03 1.23 0.00 0.70 0.00 0.00 175.22 177.21 1ykm s ALA 132 N -0.64 -2.17 0.25 5.36 0.00 -1.26 0.04 121.76 123.34 1ykm s ALA 132 Ca 0.08 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1ykm s ALA 132 Cb -0.09 0.55 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 1ykm s ALA 132 CO 0.00 -1.08 1.14 -0.98 0.00 0.00 0.00 175.76 174.85 1ykm s ARG 133 N -2.39 4.57 0.00 0.00 1.70 -1.26 -2.58 118.95 118.99 1ykm s ARG 133 Ca 0.18 1.85 0.00 0.00 -0.47 0.00 0.00 55.73 57.29 1ykm s ARG 133 Cb 0.02 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 1ykm s ARG 133 CO -0.02 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.70 1ykm n GLY 134 N 1.52 2.20 3.26 3.88 0.00 -1.26 -4.99 105.19 109.80 1ykm n GLY 134 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1ykm n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykm s ILE 135 N -2.44 4.51 0.17 -0.61 1.01 -1.06 -4.97 121.20 117.80 1ykm s ILE 135 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 60.65 58.93 1ykm s ILE 135 Cb 0.00 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.64 1ykm s ILE 135 CO 0.00 -0.73 1.72 0.78 0.00 0.00 0.00 174.94 176.71 1ykm h ASN 136 N 8.56 0.78 -3.64 3.58 2.35 -1.90 -3.38 115.58 121.95 1ykm h ASN 136 Ca -0.24 -0.18 -0.46 0.00 -0.55 0.00 0.00 56.30 54.88 1ykm h ASN 136 Cb 1.08 -0.20 -0.32 0.00 0.05 0.00 0.00 38.32 38.93 1ykm h ASN 136 CO 0.88 0.75 -0.80 -0.51 -1.65 0.00 0.00 177.43 176.10 1ykm s ILE 137 N -5.53 0.88 0.54 2.81 2.07 -1.26 -3.27 121.20 117.43 1ykm s ILE 137 Ca -0.13 -0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 58.53 1ykm s ILE 137 Cb 0.12 -0.80 -0.07 0.00 0.13 0.00 0.00 42.46 41.85 1ykm s ILE 137 CO 0.79 0.28 1.04 0.00 -1.91 0.00 0.00 174.94 175.15 1ykm n HIS 138 N 3.58 1.17 -3.56 3.50 1.44 -1.26 -5.00 115.22 115.09 1ykm n HIS 138 Ca -0.21 0.47 -0.37 0.00 -2.01 0.00 0.00 57.72 55.60 1ykm n HIS 138 Cb 0.53 -2.21 -0.07 0.00 0.12 0.00 0.00 29.99 28.36 1ykm n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykm s LEU 139 N -1.77 4.29 -0.14 2.39 1.43 -0.95 -4.90 118.68 119.03 1ykm s LEU 139 Ca 0.71 0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1ykm s LEU 139 Cb -0.46 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1ykm s LEU 139 CO 0.51 0.16 0.09 -1.00 0.23 0.00 0.00 176.35 176.33 1ykm s HIS 140 N 0.11 3.37 0.31 0.29 3.76 -1.26 -0.56 115.29 121.31 1ykm s HIS 140 Ca 0.17 0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1ykm s HIS 140 Cb -0.13 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.57 1ykm s HIS 140 CO 0.05 0.43 0.50 -0.08 -0.85 0.00 0.00 174.74 174.80 1ykm s THR 141 N -0.34 0.00 0.02 1.30 -1.32 -0.40 -0.22 115.64 114.68 1ykm s THR 141 Ca 0.10 -1.47 0.04 0.00 -1.21 0.00 0.00 61.69 59.15 1ykm s THR 141 Cb -0.12 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1ykm s THR 141 CO 0.01 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.18 1ykm s ARG 142 N -3.34 0.84 -0.25 7.08 0.52 -1.26 -1.26 118.95 121.27 1ykm s ARG 142 Ca 0.26 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.81 1ykm s ARG 142 Cb -0.01 -0.81 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 1ykm s ARG 142 CO 0.15 0.21 0.06 -1.17 0.02 0.00 0.00 175.30 174.56 1ykm s LEU 143 N -0.81 3.40 0.29 2.53 0.20 0.07 -4.74 118.68 119.61 1ykm s LEU 143 Ca 0.01 -0.27 0.09 0.00 0.69 0.00 0.00 54.13 54.65 1ykm s LEU 143 Cb -0.06 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 1ykm s LEU 143 CO 0.00 -0.05 0.07 -0.31 -0.29 0.00 0.00 176.35 175.78 1ykm s TYR 144 N 1.59 2.75 -0.08 5.38 1.51 0.29 -2.02 117.35 126.77 1ykm s TYR 144 Ca 0.06 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ykm s TYR 144 Cb -0.15 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1ykm s TYR 144 CO 0.03 0.51 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.86 1ykm s PHE 145 N -2.34 2.99 0.18 2.71 0.40 -1.26 0.15 117.98 120.81 1ykm s PHE 145 Ca 0.34 0.02 0.31 0.00 -0.60 0.00 0.00 56.93 57.00 1ykm s PHE 145 Cb -0.05 -1.76 1.32 0.00 0.51 0.00 0.00 43.02 43.04 1ykm s PHE 145 CO 0.22 0.32 1.97 0.38 0.70 0.00 0.00 175.22 178.81 1ykm h ASP 146 N 5.40 0.00 -0.31 1.36 2.03 -1.81 -2.86 116.42 120.23 1ykm h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1ykm h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1ykm h ASP 146 CO 0.54 0.07 0.00 -0.90 -1.03 0.00 0.00 179.24 177.92 1ykm n ASP 147 N -3.23 1.76 -1.73 4.15 5.75 -1.26 -3.74 116.55 118.25 1ykm n ASP 147 Ca 0.00 -1.94 -0.18 0.00 -0.01 0.00 0.00 54.79 52.66 1ykm n ASP 147 Cb 0.32 -0.20 0.07 0.00 -1.03 0.00 0.00 41.12 40.27 1ykm n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykm n GLU 148 N 0.45 3.12 -0.33 0.11 -0.58 -1.08 -4.87 120.64 117.45 1ykm n GLU 148 Ca 0.12 -3.93 0.15 0.00 -0.42 0.00 0.00 57.16 53.08 1ykm n GLU 148 Cb 0.29 -2.14 0.38 0.00 -0.57 0.00 0.00 31.44 29.40 1ykm n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykm h ALA 149 N 1.90 1.83 -0.48 0.62 0.00 -1.76 -1.20 119.26 120.16 1ykm h ALA 149 Ca 0.30 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1ykm h ALA 149 Cb 1.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ykm h ALA 149 CO 0.64 -0.19 -0.18 1.96 0.00 0.00 0.00 179.25 181.47 1ykm h GLN 150 N 0.66 0.96 0.02 0.00 4.20 -1.94 -2.66 115.11 116.35 1ykm h GLN 150 Ca 0.56 -0.38 -0.21 0.00 0.06 0.00 0.00 58.65 58.68 1ykm h GLN 150 Cb 1.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1ykm h GLN 150 CO -0.34 1.05 -0.99 0.00 -0.67 0.00 0.00 178.83 177.88 1ykm h ALA 151 N 0.95 0.39 -0.09 3.87 0.00 -1.80 -3.30 119.26 119.27 1ykm h ALA 151 Ca 0.12 -0.85 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1ykm h ALA 151 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ykm h ALA 151 CO 0.06 1.11 -0.42 -0.91 0.00 0.00 0.00 179.25 179.09 1ykm h ASN 152 N 0.03 0.22 1.37 0.00 2.35 -1.19 -2.08 115.58 116.26 1ykm h ASN 152 Ca -0.04 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1ykm h ASN 152 Cb 1.70 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1ykm h ASN 152 CO 0.14 0.61 -0.08 0.00 -1.65 0.00 0.00 177.43 176.45 1ykm h ALA 153 N 1.40 0.98 0.00 -0.83 0.00 -1.55 -3.21 119.26 116.05 1ykm h ALA 153 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ykm h ALA 153 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ykm h ALA 153 CO 0.06 0.10 -1.22 1.63 0.00 0.00 0.00 179.25 179.83 1ykm n LYS 154 N -3.16 0.63 -1.68 0.00 5.02 -1.09 -4.95 118.16 112.93 1ykm n LYS 154 Ca 0.02 -0.06 -0.47 0.00 -2.02 0.00 0.00 58.31 55.78 1ykm n LYS 154 Cb 0.44 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1ykm n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykm h PRO 156 N 8.73 0.00 0.09 0.00 0.13 -1.92 -2.19 132.00 136.84 1ykm h PRO 156 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1ykm h PRO 156 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ykm h PRO 156 CO 0.94 0.00 -1.34 0.28 -0.23 0.00 0.00 178.00 177.65 1ykm h VAL 157 N 0.00 1.03 0.00 1.56 2.07 -1.95 -3.33 116.25 115.63 1ykm h VAL 157 Ca 0.00 -2.35 -0.06 0.00 0.82 0.00 0.00 66.70 65.11 1ykm h VAL 157 Cb 0.31 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1ykm h VAL 157 CO 0.00 0.64 -0.29 0.25 0.02 0.00 0.00 177.57 178.19 1ykm h LEU 158 N -0.45 0.00 0.00 2.57 5.85 -1.88 -2.35 115.31 119.05 1ykm h LEU 158 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1ykm h LEU 158 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1ykm h LEU 158 CO 0.01 0.29 0.00 0.59 -0.34 0.00 0.00 178.44 178.98 1ykm n ASN 159 N -4.19 0.00 0.11 1.25 3.02 -0.83 -2.90 115.26 111.72 1ykm n ASN 159 Ca -0.02 -0.23 0.12 0.00 -0.03 0.00 0.00 54.58 54.42 1ykm n ASN 159 Cb 0.34 -0.24 0.23 0.00 -0.61 0.00 0.00 39.78 39.50 1ykm n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykm h LEU 160 N 0.00 0.00 -8.66 3.41 3.38 -1.52 -3.42 115.31 108.49 1ykm h LEU 160 Ca 0.00 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.33 1ykm h LEU 160 Cb 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1ykm h LEU 160 CO 0.00 0.03 0.84 -0.63 0.09 0.00 0.00 178.44 178.77 1ykm s ILE 161 N -3.18 4.23 0.22 1.22 1.01 -1.14 -4.94 121.20 118.62 1ykm s ILE 161 Ca 0.07 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 61.56 1ykm s ILE 161 Cb 0.11 -4.59 0.24 0.00 0.01 0.00 0.00 42.46 38.23 1ykm s ILE 161 CO 0.67 -1.05 1.60 -0.33 0.00 0.00 0.00 174.94 175.83 1ykm h GLU 162 N 9.27 -0.05 -5.11 2.79 5.08 -1.89 -3.41 114.58 121.27 1ykm h GLU 162 Ca -0.24 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.50 1ykm h GLU 162 Cb 1.06 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 1ykm h GLU 162 CO 1.12 -0.03 -0.35 -0.65 -1.00 0.00 0.00 179.01 178.09 1ykm s GLN 163 N -6.16 4.03 0.64 2.33 -1.52 -1.26 -4.99 119.66 112.72 1ykm s GLN 163 Ca -0.14 -0.09 0.34 0.00 -1.95 0.00 0.00 55.36 53.52 1ykm s GLN 163 Cb 0.20 -3.62 1.90 0.00 -0.22 0.00 0.00 33.01 31.27 1ykm s GLN 163 CO 0.73 -0.16 2.14 -1.00 -0.25 0.00 0.00 175.29 176.75 1ykm h PRO 164 N 8.01 0.00 0.00 2.91 0.13 -1.98 -2.05 132.00 139.02 1ykm h PRO 164 Ca -0.34 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1ykm h PRO 164 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ykm h PRO 164 CO 0.63 0.00 -0.27 1.96 -0.23 0.00 0.00 178.00 180.09 1ykm h GLN 165 N 0.00 0.00 0.00 0.86 7.50 -1.96 -2.93 115.11 118.58 1ykm h GLN 165 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1ykm h GLN 165 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1ykm h GLN 165 CO -0.00 0.27 -0.50 0.00 -1.50 0.00 0.00 178.83 177.09 1ykm h ARG 166 N 0.00 0.00 0.00 1.46 3.08 -1.77 -3.29 114.38 113.86 1ykm h ARG 166 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1ykm h ARG 166 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1ykm h ARG 166 CO 0.03 0.00 -0.76 0.00 -1.07 0.00 0.00 179.97 178.17 1ykm h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.56 -3.25 114.38 112.69 1ykm h ARG 167 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ykm h ARG 167 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ykm h ARG 167 CO 0.00 0.76 -0.02 0.93 -1.07 0.00 0.00 179.97 180.57 1ykm h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.63 -2.55 114.58 115.52 1ykm h GLU 168 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ykm h GLU 168 Cb 1.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1ykm h GLU 168 CO 0.10 0.02 -0.33 1.79 -1.00 0.00 0.00 179.01 179.59 1ykm h THR 169 N 0.00 0.76 -0.01 1.13 1.35 -1.74 -2.83 112.91 111.56 1ykm h THR 169 Ca -0.00 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1ykm h THR 169 Cb 0.32 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1ykm h THR 169 CO 0.00 0.33 -0.06 0.18 -0.25 0.00 0.00 175.52 175.72 1ykm n LEU 170 N -3.45 1.06 -4.62 3.87 4.77 -0.96 -4.84 117.00 112.83 1ykm n LEU 170 Ca 0.00 -0.32 -0.38 0.00 -0.03 0.00 0.00 56.01 55.29 1ykm n LEU 170 Cb 0.50 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1ykm n LEU 170 CO 0.36 0.18 -0.09 -0.63 -1.33 0.00 0.00 177.39 175.88 1ykm s ILE 171 N -2.16 5.28 -0.01 -0.08 1.01 -1.07 -0.55 121.20 123.63 1ykm s ILE 171 Ca 0.36 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 61.07 1ykm s ILE 171 Cb 0.21 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1ykm s ILE 171 CO 0.39 0.25 0.78 0.00 0.00 0.00 0.00 174.94 176.37 1ykm s ALA 172 N 1.61 3.31 0.01 9.38 0.00 0.12 -4.92 121.76 131.27 1ykm s ALA 172 Ca 0.10 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 52.06 1ykm s ALA 172 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ykm s ALA 172 CO 0.09 -0.07 0.85 0.15 0.00 0.00 0.00 175.76 176.78 1ykm s LYS 173 N 0.52 4.53 0.06 0.00 -0.14 -0.87 -2.29 119.74 121.55 1ykm s LYS 173 Ca 0.41 1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 55.91 1ykm s LYS 173 Cb -0.19 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.48 1ykm s LYS 173 CO 0.22 0.10 1.07 0.50 -0.76 0.00 0.00 175.35 176.47 1ykm s ARG 174 N 0.56 4.54 0.12 1.68 3.52 -1.26 -0.79 118.95 127.31 1ykm s ARG 174 Ca 0.44 1.58 -0.01 0.00 -0.13 0.00 0.00 55.73 57.62 1ykm s ARG 174 Cb -0.20 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1ykm s ARG 174 CO 0.24 -0.06 0.16 0.00 -0.81 0.00 0.00 175.30 174.83 1ykm s GLU 176 N -2.26 0.70 -0.27 0.00 2.02 -1.26 -1.78 118.70 115.85 1ykm s GLU 176 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1ykm s GLU 176 Cb -0.00 -0.85 0.05 0.00 0.10 0.00 0.00 34.13 33.43 1ykm s GLU 176 CO 0.07 -0.16 -0.06 0.08 0.02 0.00 0.00 175.26 175.21 1ykm s VAL 177 N 1.27 2.61 -1.33 2.63 1.01 -1.02 -4.74 120.40 120.83 1ykm s VAL 177 Ca -0.06 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 1ykm s VAL 177 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1ykm s VAL 177 CO -0.02 0.01 1.01 0.47 0.00 0.00 0.00 175.10 176.56 1ykm n ASP 178 N 4.56 -3.81 -1.48 3.32 8.00 -1.26 -2.87 116.55 123.01 1ykm n ASP 178 Ca -0.14 -0.66 -0.15 0.00 0.71 0.00 0.00 54.79 54.55 1ykm n ASP 178 Cb 0.44 -4.69 -0.03 0.00 -0.02 0.00 0.00 41.12 36.82 1ykm n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykm n GLY 179 N -1.61 0.41 3.21 0.44 0.00 -1.26 -5.01 105.19 101.37 1ykm n GLY 179 Ca -0.13 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1ykm n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykm s LYS 180 N -4.18 1.20 0.08 1.61 2.47 -1.14 -5.11 119.74 114.67 1ykm s LYS 180 Ca 0.00 -0.86 -0.31 0.00 -1.56 0.00 0.00 55.97 53.24 1ykm s LYS 180 Cb 0.00 -1.28 -0.09 0.00 -1.46 0.00 0.00 37.83 35.01 1ykm s LYS 180 CO 0.00 0.32 1.69 0.99 0.16 0.00 0.00 175.35 178.51 1ykm s THR 181 N -0.81 2.96 0.05 3.43 2.01 -1.26 -2.43 115.64 119.59 1ykm s THR 181 Ca 0.05 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1ykm s THR 181 Cb -0.08 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1ykm s THR 181 CO 0.02 -0.00 -0.04 0.00 -0.69 0.00 0.00 174.62 173.91 1ykm s ALA 182 N 2.69 0.48 -0.03 7.40 0.00 -0.74 -1.76 121.76 129.81 1ykm s ALA 182 Ca 0.75 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1ykm s ALA 182 Cb -0.41 0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1ykm s ALA 182 CO 0.33 -0.30 -0.07 0.71 0.00 0.00 0.00 175.76 176.43 1ykm s TYR 183 N -3.29 0.81 -0.24 0.00 1.51 -0.62 -1.31 117.35 114.21 1ykm s TYR 183 Ca 0.02 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1ykm s TYR 183 Cb 0.03 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1ykm s TYR 183 CO -0.07 -0.11 0.09 0.50 -1.11 0.00 0.00 175.55 174.85 1ykm s ARG 184 N 0.34 3.80 -0.34 -0.62 3.52 0.03 -2.21 118.95 123.46 1ykm s ARG 184 Ca -0.05 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1ykm s ARG 184 Cb -0.09 -3.37 0.10 0.00 -1.56 0.00 0.00 34.95 30.04 1ykm s ARG 184 CO 0.00 -0.07 0.10 0.12 -0.81 0.00 0.00 175.30 174.64 1ykm s PHE 185 N 1.33 2.63 -0.01 5.12 5.36 -0.25 -2.05 117.98 130.10 1ykm s PHE 185 Ca 0.05 -2.37 -0.16 0.00 -0.96 0.00 0.00 56.93 53.49 1ykm s PHE 185 Cb -0.15 -2.27 -0.06 0.00 -0.34 0.00 0.00 43.02 40.21 1ykm s PHE 185 CO 0.04 -0.89 0.44 -0.51 -1.46 0.00 0.00 175.22 172.85 1ykm s ASP 186 N 1.13 6.82 -0.18 6.13 1.01 -1.26 -4.10 116.67 126.23 1ykm s ASP 186 Ca 0.11 0.98 -0.03 0.00 0.71 0.00 0.00 52.55 54.32 1ykm s ASP 186 Cb -0.19 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1ykm s ASP 186 CO -0.15 0.25 -0.05 -0.63 0.21 0.00 0.00 175.17 174.80 1ykm s ILE 187 N -0.74 3.60 -0.35 0.77 1.01 -0.67 -4.97 121.20 119.85 1ykm s ILE 187 Ca 0.25 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1ykm s ILE 187 Cb -0.17 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.78 1ykm s ILE 187 CO 0.14 0.47 0.10 -0.13 0.00 0.00 0.00 174.94 175.51 1ykm s ARG 188 N 0.78 2.28 0.20 2.79 0.52 -1.26 -0.58 118.95 123.66 1ykm s ARG 188 Ca -0.02 -1.48 -0.08 0.00 -0.52 0.00 0.00 55.73 53.62 1ykm s ARG 188 Cb -0.15 -3.39 0.12 0.00 0.52 0.00 0.00 34.95 32.05 1ykm s ARG 188 CO 0.02 -0.82 1.71 0.82 0.02 0.00 0.00 175.30 177.05 1ykm h ILE 189 N 6.38 1.26 -3.82 1.52 2.04 -1.53 -0.25 117.51 123.12 1ykm h ILE 189 Ca -0.18 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.55 1ykm h ILE 189 Cb 1.06 0.55 -0.19 0.00 -0.74 0.00 0.00 36.82 37.50 1ykm h ILE 189 CO 0.61 0.38 -0.56 -1.58 0.00 0.00 0.00 178.15 177.00 1ykm s GLN 190 N -5.28 0.52 1.62 2.37 0.74 -1.26 -4.75 119.66 113.62 1ykm s GLN 190 Ca -0.12 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.59 1ykm s GLN 190 Cb 0.15 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.46 1ykm s GLN 190 CO 0.85 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.88 1ykm n GLY 191 N 0.98 0.13 3.64 2.59 0.00 -1.26 -4.16 105.19 107.11 1ykm n GLY 191 Ca -0.20 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1ykm n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 192 N 0.00 3.93 -0.28 1.61 2.12 -1.26 -2.55 118.70 122.26 1ykm s GLU 192 Ca 0.00 2.11 -0.00 0.00 0.36 0.00 0.00 54.97 57.44 1ykm s GLU 192 Cb 0.00 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1ykm s GLU 192 CO 0.00 -1.16 0.06 0.41 -0.54 0.00 0.00 175.26 174.03 1ykm n GLY 193 N 4.58 0.36 3.72 -1.50 0.00 -1.26 -4.99 105.19 106.10 1ykm n GLY 193 Ca 0.20 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1ykm n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykm n GLU 194 N -1.32 2.56 -2.33 1.61 2.13 -1.06 -4.66 120.64 117.57 1ykm n GLU 194 Ca -0.03 0.91 -0.40 0.00 0.66 0.00 0.00 57.16 58.30 1ykm n GLU 194 Cb 0.53 -2.70 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 1ykm n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykm s THR 195 N 0.44 3.18 0.01 6.31 2.01 -0.10 -4.94 115.64 122.54 1ykm s THR 195 Ca 0.70 1.19 -0.30 0.00 0.31 0.00 0.00 61.69 63.58 1ykm s THR 195 Cb -0.54 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1ykm s THR 195 CO 0.43 0.28 1.27 -0.69 -0.69 0.00 0.00 174.62 175.22 1ykm s VAL 196 N -1.15 3.97 0.02 3.82 1.01 -1.26 -4.95 120.40 121.86 1ykm s VAL 196 Ca 0.46 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.86 1ykm s VAL 196 Cb -0.35 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ykm s VAL 196 CO 0.46 0.04 -0.13 -0.36 0.00 0.00 0.00 175.10 175.11 1ykm s PHE 197 N 1.82 2.72 0.34 5.22 0.08 -1.26 -4.68 117.98 122.21 1ykm s PHE 197 Ca 0.59 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.57 1ykm s PHE 197 Cb -0.29 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1ykm s PHE 197 CO 0.26 0.30 0.31 -0.06 -0.10 0.00 0.00 175.22 175.93 1ykm s PHE 198 N -0.94 2.93 -0.03 0.36 0.08 0.70 -4.98 117.98 116.09 1ykm s PHE 198 Ca 0.16 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1ykm s PHE 198 Cb -0.11 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1ykm s PHE 198 CO 0.06 0.16 0.00 0.34 -0.10 0.00 0.00 175.22 175.69 1ykm s ASP 199 N -4.01 0.40 0.00 1.36 3.68 -1.26 -4.29 116.67 112.54 1ykm s ASP 199 Ca 0.41 -0.02 0.00 0.00 2.13 0.00 0.00 52.55 55.07 1ykm s ASP 199 Cb -0.06 -0.21 0.00 0.00 -1.45 0.00 0.00 42.92 41.19 1ykm s ASP 199 CO 0.27 -0.10 0.00 2.22 0.13 0.00 0.00 175.17 177.69