#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 4.51 -0.11 4.25 -1.09 -1.26 -5.03 121.20 122.48 1ykm s ILE 2 Ca 0.00 1.82 0.01 0.00 -2.23 0.00 0.00 60.65 60.25 1ykm s ILE 2 Cb 0.00 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1ykm s ILE 2 CO 0.00 -0.11 -0.15 -1.61 -1.23 0.00 0.00 174.94 171.83 1ykm s GLU 3 N 2.98 3.16 0.40 2.79 0.41 -1.26 -5.13 118.70 122.05 1ykm s GLU 3 Ca 0.50 -0.72 0.06 0.00 -0.41 0.00 0.00 54.97 54.39 1ykm s GLU 3 Cb -0.19 -2.52 0.07 0.00 -1.78 0.00 0.00 34.13 29.71 1ykm s GLU 3 CO 0.13 0.29 0.56 1.28 -0.49 0.00 0.00 175.26 177.02 1ykm n LEU 4 N 3.29 0.00 -4.72 1.80 4.32 -1.26 -5.05 117.00 115.38 1ykm n LEU 4 Ca -0.18 -1.64 -0.42 0.00 -0.02 0.00 0.00 56.01 53.75 1ykm n LEU 4 Cb 0.53 -0.31 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1ykm n LEU 4 CO 0.29 -0.67 1.07 -0.76 -1.22 0.00 0.00 177.39 176.11 1ykm s LEU 5 N 0.00 4.38 0.42 2.23 1.43 -1.26 -4.97 118.68 120.91 1ykm s LEU 5 Ca 0.41 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.66 1ykm s LEU 5 Cb -0.03 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 1ykm s LEU 5 CO 0.26 -0.66 1.16 -2.16 0.23 0.00 0.00 176.35 175.18 1ykm s PRO 6 N 0.88 3.94 0.45 1.29 0.04 -1.26 -5.01 135.00 135.34 1ykm s PRO 6 Ca 0.64 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 1ykm s PRO 6 Cb -0.38 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 1ykm s PRO 6 CO 0.32 -0.40 1.24 -2.00 0.04 0.00 0.00 177.00 176.19 1ykm s GLU 7 N -2.48 3.74 0.12 4.56 2.12 -1.26 -4.96 118.70 120.54 1ykm s GLU 7 Ca 0.60 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.59 1ykm s GLU 7 Cb -0.29 -2.51 -0.10 0.00 0.26 0.00 0.00 34.13 31.49 1ykm s GLU 7 CO 0.36 -0.62 1.73 0.99 -0.54 0.00 0.00 175.26 177.19 1ykm s THR 8 N -1.41 2.67 0.50 -1.70 2.01 -1.26 -4.94 115.64 111.50 1ykm s THR 8 Ca 0.62 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 1ykm s THR 8 Cb -0.34 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 1ykm s THR 8 CO 0.41 0.00 1.35 -2.84 -0.69 0.00 0.00 174.62 172.85 1ykm s PRO 9 N 2.41 3.43 0.51 4.92 0.02 -1.26 -5.02 135.00 140.01 1ykm s PRO 9 Ca 0.77 2.22 -0.16 0.00 0.02 0.00 0.00 61.00 63.85 1ykm s PRO 9 Cb -0.44 -2.42 -0.07 0.00 0.02 0.00 0.00 34.50 31.58 1ykm s PRO 9 CO 0.34 -0.95 0.97 0.45 -0.33 0.00 0.00 177.00 177.47 1ykm s SER 10 N -0.87 6.59 0.05 2.53 0.15 -1.26 -5.09 113.70 115.79 1ykm s SER 10 Ca 0.67 1.51 -0.04 0.00 0.70 0.00 0.00 55.95 58.79 1ykm s SER 10 Cb -0.40 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.41 1ykm s SER 10 CO 0.48 -0.58 0.05 -1.10 1.20 0.00 0.00 173.24 173.29 1ykm s GLN 11 N -4.11 0.59 0.61 5.44 -1.52 -1.19 -4.90 119.66 114.57 1ykm s GLN 11 Ca 0.58 -0.91 -0.19 0.00 -1.95 0.00 0.00 55.36 52.88 1ykm s GLN 11 Cb -0.10 0.22 -0.03 0.00 -0.22 0.00 0.00 33.01 32.88 1ykm s GLN 11 CO 0.33 -0.14 1.22 -2.37 -0.25 0.00 0.00 175.29 174.08 1ykm n THR 12 N 0.56 4.34 0.28 -0.19 5.66 -1.22 -4.77 114.28 118.95 1ykm n THR 12 Ca -0.18 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.50 1ykm n THR 12 Cb 0.59 -1.44 0.69 0.00 -1.55 0.00 0.00 70.33 68.63 1ykm n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykm h ALA 13 N 0.74 1.00 0.00 1.79 0.00 -1.74 -3.50 119.26 117.55 1ykm h ALA 13 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ykm h ALA 13 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ykm h ALA 13 CO 0.53 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1ykm n GLY 14 N 0.01 -1.67 0.19 0.00 0.00 -1.26 -4.09 105.19 98.36 1ykm n GLY 14 Ca 0.01 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.93 1.61 0.13 -1.93 -3.21 132.00 127.68 1ykm h PRO 15 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1ykm h PRO 15 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 1ykm h PRO 15 CO 0.00 0.36 0.53 0.66 -0.23 0.00 0.00 178.00 179.32 1ykm n TYR 16 N -4.05 3.05 0.25 1.56 4.01 -1.26 -4.63 117.16 116.10 1ykm n TYR 16 Ca -0.02 -2.72 0.11 0.00 -0.16 0.00 0.00 57.90 55.11 1ykm n TYR 16 Cb 0.41 -1.18 0.72 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.20 0.84 -0.14 -0.72 3.04 -1.70 -2.62 116.25 116.16 1ykm h VAL 17 Ca 0.56 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 66.20 1ykm h VAL 17 Cb 1.17 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 1ykm h VAL 17 CO 1.36 0.00 -0.10 0.45 -1.01 0.00 0.00 177.57 178.26 1ykm h HIS 18 N 0.00 0.21 0.00 3.17 3.86 -1.87 -2.13 115.15 118.40 1ykm h HIS 18 Ca 0.02 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ykm h HIS 18 Cb 0.08 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ykm h HIS 18 CO 0.00 0.32 -0.09 -0.84 0.86 0.00 0.00 177.93 178.17 1ykm h ILE 19 N 0.20 0.80 0.00 2.45 3.07 -1.71 0.67 117.51 122.99 1ykm h ILE 19 Ca 0.04 -0.36 -0.01 0.00 1.55 0.00 0.00 64.86 66.09 1ykm h ILE 19 Cb 0.32 1.21 -0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1ykm h ILE 19 CO 0.02 0.09 -1.62 0.61 -1.05 0.00 0.00 178.15 176.20 1ykm n GLY 20 N -1.07 -0.60 0.00 0.16 0.00 -1.12 -4.59 105.19 97.96 1ykm n GLY 20 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.98 0.31 -2.88 0.99 4.77 -0.82 -4.85 117.00 112.55 1ykm n LEU 21 Ca -0.03 -0.62 -0.12 0.00 -0.03 0.00 0.00 56.01 55.20 1ykm n LEU 21 Cb 0.37 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1ykm n LEU 21 CO 0.28 0.08 0.13 0.00 -1.33 0.00 0.00 177.39 176.54 1ykm n ALA 22 N -0.62 -0.04 -0.34 -1.18 0.00 0.20 -4.98 120.51 113.55 1ykm n ALA 22 Ca 0.00 -2.04 0.13 0.00 0.00 0.00 0.00 53.44 51.53 1ykm n ALA 22 Cb 0.01 -1.12 0.32 0.00 0.00 0.00 0.00 19.45 18.65 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 3.34 0.71 -0.53 0.00 4.07 -1.74 -1.90 115.31 119.27 1ykm h LEU 23 Ca -0.05 0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.87 1ykm h LEU 23 Cb 1.03 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1ykm h LEU 23 CO 0.29 0.23 -0.36 -0.08 -1.08 0.00 0.00 178.44 177.43 1ykm h GLU 24 N 0.70 0.80 0.00 1.13 4.81 -1.88 -1.62 114.58 118.52 1ykm h GLU 24 Ca 0.57 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ykm h GLU 24 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ykm h GLU 24 CO -0.40 1.03 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1ykm n ALA 25 N -2.52 1.92 -0.47 2.92 0.00 -0.83 -2.35 120.51 119.18 1ykm n ALA 25 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1ykm n ALA 25 Cb 0.52 -1.42 0.28 0.00 0.00 0.00 0.00 19.45 18.83 1ykm n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ykm n ALA 26 N -1.78 2.63 -2.03 0.00 0.00 -0.78 -4.95 120.51 113.61 1ykm n ALA 26 Ca 0.04 -1.47 -0.17 0.00 0.00 0.00 0.00 53.44 51.84 1ykm n ALA 26 Cb 0.31 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 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 0.93 0.40 3.80 0.00 0.00 -0.99 -4.96 105.19 104.38 1ykm n GLY 27 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.21 5.54 0.28 1.61 0.01 -0.64 -5.05 114.94 114.48 1ykm s ASN 28 Ca 0.00 -0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 1ykm s ASN 28 Cb 0.00 -1.46 -0.10 0.00 0.41 0.00 0.00 41.25 40.09 1ykm s ASN 28 CO 0.00 0.09 1.46 -2.16 -1.51 0.00 0.00 177.10 174.97 1ykm s PRO 29 N -2.98 4.24 0.54 -0.60 0.04 -1.26 -4.25 135.00 130.73 1ykm s PRO 29 Ca 0.31 2.37 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 1ykm s PRO 29 Cb -0.10 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1ykm s PRO 29 CO 0.23 -0.44 0.84 0.95 0.04 0.00 0.00 177.00 178.62 1ykm s THR 30 N -0.21 4.05 0.61 1.26 -4.23 -1.26 -4.93 115.64 110.93 1ykm s THR 30 Ca 0.58 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1ykm s THR 30 Cb -0.43 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 69.91 1ykm s THR 30 CO 0.47 -0.56 0.85 -0.13 -0.54 0.00 0.00 174.62 174.70 1ykm s ARG 31 N -4.87 2.22 0.17 3.99 0.52 -1.26 -5.03 118.95 114.70 1ykm s ARG 31 Ca 0.51 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.54 1ykm s ARG 31 Cb -0.10 -2.46 0.12 0.00 0.52 0.00 0.00 34.95 33.02 1ykm s ARG 31 CO 0.44 -0.97 1.65 -0.44 0.02 0.00 0.00 175.30 176.00 1ykm h ASP 32 N -0.11 -0.48 -3.27 0.23 3.32 -2.07 -3.40 116.42 110.64 1ykm h ASP 32 Ca -0.39 0.14 -0.67 0.00 0.02 0.00 0.00 57.03 56.14 1ykm h ASP 32 Cb 1.28 0.30 -0.34 0.00 0.22 0.00 0.00 39.33 40.80 1ykm h ASP 32 CO 0.46 -0.17 -0.87 -1.10 -1.72 0.00 0.00 179.24 175.84 1ykm s GLN 33 N -6.20 2.94 0.07 3.56 -0.21 -1.26 -5.13 119.66 113.43 1ykm s GLN 33 Ca -0.14 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.47 1ykm s GLN 33 Cb 0.15 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 1ykm s GLN 33 CO 0.71 0.06 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.56 1ykm s GLU 34 N 0.63 0.98 -0.45 2.91 0.41 -1.26 -5.11 118.70 116.81 1ykm s GLU 34 Ca -0.12 -0.99 -0.19 0.00 -0.41 0.00 0.00 54.97 53.26 1ykm s GLU 34 Cb -0.16 -1.08 0.03 0.00 -1.78 0.00 0.00 34.13 31.13 1ykm s GLU 34 CO 0.03 0.25 0.56 0.42 -0.49 0.00 0.00 175.26 176.03 1ykm s ILE 35 N -1.13 4.94 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.11 1ykm s ILE 35 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1ykm s ILE 35 Cb -0.10 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1ykm s ILE 35 CO 0.03 -0.59 0.00 1.87 0.00 0.00 0.00 174.94 176.25 1ykm n TRP 36 N 5.97 0.00 1.69 3.97 -0.00 -1.26 -4.55 117.44 123.26 1ykm n TRP 36 Ca -0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.53 1ykm n TRP 36 Cb 0.47 0.00 0.50 0.00 -0.00 0.00 0.00 31.31 32.28 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 -0.51 0.00 -4.24 5.87 6.94 -0.54 -2.37 115.26 120.41 1ykm n ASN 37 Ca 0.00 -1.16 -0.43 0.00 -0.02 0.00 0.00 54.58 52.96 1ykm n ASN 37 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 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 3.16 0.05 -3.83 3.52 -1.26 -1.29 118.95 117.30 1ykm s ARG 38 Ca 0.25 -2.40 -0.07 0.00 -0.13 0.00 0.00 55.73 53.38 1ykm s ARG 38 Cb 0.12 -4.16 -0.30 0.00 -1.56 0.00 0.00 34.95 29.04 1ykm s ARG 38 CO 0.19 -1.25 1.05 -0.07 -0.81 0.00 0.00 175.30 174.42 1ykm h LEU 39 N 7.63 0.52 -8.78 -0.88 4.07 -1.35 -3.46 115.31 113.06 1ykm h LEU 39 Ca 0.03 -0.58 -0.68 0.00 0.08 0.00 0.00 57.88 56.72 1ykm h LEU 39 Cb 1.02 -0.17 -0.25 0.00 1.08 0.00 0.00 40.66 42.34 1ykm h LEU 39 CO 0.76 1.46 -0.78 0.00 -1.08 0.00 0.00 178.44 178.81 1ykm s ALA 40 N -2.63 2.61 0.27 1.53 0.00 -1.17 -1.22 121.76 121.15 1ykm s ALA 40 Ca -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1ykm s ALA 40 Cb 0.06 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1ykm s ALA 40 CO 0.89 0.44 0.54 0.15 0.00 0.00 0.00 175.76 177.78 1ykm s LYS 41 N -0.31 3.64 0.44 0.00 1.02 -0.06 -4.79 119.74 119.67 1ykm s LYS 41 Ca 0.02 0.00 0.29 0.00 0.02 0.00 0.00 55.97 56.30 1ykm s LYS 41 Cb -0.13 -2.66 1.38 0.00 -0.52 0.00 0.00 37.83 35.90 1ykm s LYS 41 CO 0.03 0.24 1.66 -1.35 -0.92 0.00 0.00 175.35 175.00 1ykm h PRO 42 N 1.81 0.13 -0.94 -1.68 0.11 -2.00 -1.72 132.00 127.70 1ykm h PRO 42 Ca -0.48 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.27 1ykm h PRO 42 Cb 1.19 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1ykm h PRO 42 CO 0.67 0.09 0.45 -0.40 -0.21 0.00 0.00 178.00 178.60 1ykm n ASP 43 N -4.64 3.83 -4.82 -2.05 5.75 -1.26 -4.94 116.55 108.42 1ykm n ASP 43 Ca 0.35 -3.23 -0.38 0.00 -0.01 0.00 0.00 54.79 51.51 1ykm n ASP 43 Cb 1.34 -0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 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 -2.67 3.65 0.44 2.12 0.00 -0.65 -5.03 121.76 119.62 1ykm s ALA 44 Ca 0.47 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 1ykm s ALA 44 Cb 0.39 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1ykm s ALA 44 CO 0.10 0.43 1.27 -1.25 0.00 0.00 0.00 175.76 176.30 1ykm s PRO 45 N -1.02 3.80 0.00 0.00 0.04 -1.26 -4.91 135.00 131.65 1ykm s PRO 45 Ca 0.26 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1ykm s PRO 45 Cb -0.18 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1ykm s PRO 45 CO 0.15 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1ykm n GLY 46 N 0.62 -0.70 3.53 0.56 0.00 -1.26 -4.53 105.19 103.42 1ykm n GLY 46 Ca 0.06 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.79 3.37 -0.13 1.61 2.12 -1.26 -4.98 118.70 118.65 1ykm s GLU 47 Ca 0.00 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 1ykm s GLU 47 Cb 0.00 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 1ykm s GLU 47 CO 0.00 -1.20 1.46 -1.01 -0.54 0.00 0.00 175.26 173.97 1ykm s HIS 48 N 3.37 2.41 0.31 5.30 3.76 -1.26 -1.70 115.29 127.48 1ykm s HIS 48 Ca 0.29 0.62 0.09 0.00 -0.15 0.00 0.00 55.06 55.91 1ykm s HIS 48 Cb -0.13 -3.73 -0.06 0.00 1.11 0.00 0.00 32.58 29.78 1ykm s HIS 48 CO 0.21 -2.72 -0.10 0.96 -0.85 0.00 0.00 174.74 172.24 1ykm s ILE 49 N 3.88 2.06 -0.10 0.60 -4.36 -0.05 -4.52 121.20 118.71 1ykm s ILE 49 Ca 0.64 -2.21 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 1ykm s ILE 49 Cb -0.27 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1ykm s ILE 49 CO 0.22 -0.28 -0.23 -0.22 0.24 0.00 0.00 174.94 174.68 1ykm s LEU 50 N -3.53 2.04 -0.08 0.37 2.96 -0.08 -2.80 118.68 117.57 1ykm s LEU 50 Ca 0.31 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1ykm s LEU 50 Cb 0.02 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1ykm s LEU 50 CO 0.14 0.14 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.41 1ykm s LEU 51 N 0.41 2.71 -0.03 -0.68 1.43 0.06 -1.39 118.68 121.21 1ykm s LEU 51 Ca -0.18 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1ykm s LEU 51 Cb -0.18 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1ykm s LEU 51 CO 0.08 0.27 0.34 -1.48 0.23 0.00 0.00 176.35 175.79 1ykm s LEU 52 N -0.30 0.72 0.04 1.79 -0.00 -0.95 -0.55 118.68 119.43 1ykm s LEU 52 Ca 0.02 0.19 -0.29 0.00 -0.00 0.00 0.00 54.13 54.05 1ykm s LEU 52 Cb -0.13 1.36 0.10 0.00 -0.00 0.00 0.00 46.19 47.52 1ykm s LEU 52 CO 0.03 -0.43 1.17 -0.83 -0.00 0.00 0.00 176.35 176.28 1ykm s GLY 53 N -1.19 -0.35 0.21 -3.48 0.00 -1.11 -1.30 107.32 100.10 1ykm s GLY 53 Ca -0.12 0.53 0.11 0.00 0.00 0.00 0.00 44.72 45.24 1ykm s GLY 53 CO 0.04 0.10 -0.22 1.20 0.00 0.00 0.00 173.10 174.22 1ykm s GLN 54 N -2.73 1.50 -0.12 2.90 -0.21 -1.26 -1.84 119.66 117.90 1ykm s GLN 54 Ca 0.13 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 53.96 1ykm s GLN 54 Cb 0.02 -1.69 -0.01 0.00 1.00 0.00 0.00 33.01 32.33 1ykm s GLN 54 CO -0.02 0.35 -0.15 0.08 -2.12 0.00 0.00 175.29 173.43 1ykm s VAL 55 N -1.99 2.85 0.08 1.09 1.01 -1.26 -1.58 120.40 120.60 1ykm s VAL 55 Ca 0.22 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1ykm s VAL 55 Cb -0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ykm s VAL 55 CO 0.10 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 175.20 1ykm s TYR 56 N 0.35 2.44 0.00 5.22 1.51 -0.17 -0.68 117.35 126.02 1ykm s TYR 56 Ca -0.13 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1ykm s TYR 56 Cb -0.16 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1ykm s TYR 56 CO 0.06 0.27 0.00 -0.40 -1.11 0.00 0.00 175.55 174.37 1ykm n ASP 57 N 1.31 0.00 0.29 2.29 5.68 -0.36 -1.76 116.55 123.99 1ykm n ASP 57 Ca -0.17 -0.77 0.19 0.00 -0.50 0.00 0.00 54.79 53.54 1ykm n ASP 57 Cb 0.52 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.33 1ykm n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ykm h GLY 58 N 0.00 0.00 -2.25 6.12 0.00 -1.89 -2.86 103.07 102.19 1ykm h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ykm h GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1ykm n ASN 59 N -3.03 3.39 0.00 0.19 3.02 -1.26 -4.70 115.26 112.87 1ykm n ASN 59 Ca -0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1ykm n ASN 59 Cb 0.23 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.52 3.89 7.41 0.00 -1.08 -5.05 105.19 112.37 1ykm n GLY 60 Ca 0.19 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 3.55 0.20 1.61 3.76 -1.26 -4.85 115.29 116.29 1ykm s HIS 61 Ca 0.00 0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 55.09 1ykm s HIS 61 Cb 0.00 -1.93 -0.09 0.00 1.11 0.00 0.00 32.58 31.67 1ykm s HIS 61 CO 0.00 0.59 1.38 -0.51 -0.85 0.00 0.00 174.74 175.34 1ykm s LEU 62 N -2.04 4.40 -0.57 0.89 1.43 -1.26 -1.22 118.68 120.31 1ykm s LEU 62 Ca 0.31 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.69 1ykm s LEU 62 Cb -0.13 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.57 1ykm s LEU 62 CO 0.20 -0.62 0.71 -0.69 0.23 0.00 0.00 176.35 176.18 1ykm s VAL 63 N 0.28 4.78 -1.86 -1.59 1.01 0.14 -4.90 120.40 118.27 1ykm s VAL 63 Ca 0.59 -0.74 0.13 0.00 0.00 0.00 0.00 61.98 61.97 1ykm s VAL 63 Cb -0.39 -4.44 0.40 0.00 0.00 0.00 0.00 36.38 31.95 1ykm s VAL 63 CO 0.38 -1.05 1.31 0.54 0.00 0.00 0.00 175.10 176.29 1ykm n ARG 64 N 6.43 2.14 -0.56 2.72 1.74 -1.26 -4.12 116.66 123.74 1ykm n ARG 64 Ca -0.08 -1.60 0.04 0.00 -0.77 0.00 0.00 57.85 55.44 1ykm n ARG 64 Cb 0.44 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.55 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 0.74 1.05 -4.81 0.55 5.68 -1.22 -3.49 116.55 115.05 1ykm n ASP 65 Ca 0.15 -2.54 -0.33 0.00 -0.50 0.00 0.00 54.79 51.57 1ykm n ASP 65 Cb 0.41 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.98 6.76 -0.07 -1.12 1.04 -1.24 -4.56 113.70 112.55 1ykm s SER 66 Ca 0.20 1.77 0.02 0.00 0.48 0.00 0.00 55.95 58.42 1ykm s SER 66 Cb 0.19 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.78 1ykm s SER 66 CO -0.03 -0.48 -0.12 0.12 0.98 0.00 0.00 173.24 173.71 1ykm s PHE 67 N -2.09 1.43 0.00 5.02 5.36 0.66 -2.17 117.98 126.19 1ykm s PHE 67 Ca 0.63 -0.53 0.06 0.00 -0.96 0.00 0.00 56.93 56.14 1ykm s PHE 67 Cb -0.12 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1ykm s PHE 67 CO 0.16 -0.28 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.92 1ykm s LEU 68 N 0.70 2.07 -0.08 6.12 1.02 0.08 -0.53 118.68 128.07 1ykm s LEU 68 Ca -0.14 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 53.66 1ykm s LEU 68 Cb -0.16 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.04 1ykm s LEU 68 CO 0.03 0.22 -0.24 -1.61 0.02 0.00 0.00 176.35 174.78 1ykm s GLU 69 N -0.65 2.71 0.07 1.70 2.02 -0.53 -1.12 118.70 122.90 1ykm s GLU 69 Ca 0.08 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.29 1ykm s GLU 69 Cb -0.08 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1ykm s GLU 69 CO -0.00 0.28 -0.24 0.14 0.02 0.00 0.00 175.26 175.46 1ykm s VAL 70 N 0.08 2.37 -0.08 2.63 -7.23 -0.37 -1.10 120.40 116.70 1ykm s VAL 70 Ca -0.10 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1ykm s VAL 70 Cb -0.16 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.84 1ykm s VAL 70 CO 0.06 0.27 0.06 0.86 -0.31 0.00 0.00 175.10 176.04 1ykm s TRP 71 N -0.92 0.14 0.14 2.82 -0.11 -0.26 -2.43 118.94 118.32 1ykm s TRP 71 Ca 0.13 0.07 -0.04 0.00 1.22 0.00 0.00 56.10 57.48 1ykm s TRP 71 Cb -0.10 -0.56 -0.03 0.00 -1.50 0.00 0.00 33.47 31.28 1ykm s TRP 71 CO 0.04 -0.29 0.14 1.14 -4.62 0.00 0.00 176.95 173.37 1ykm s GLN 72 N 2.15 0.99 0.53 5.86 -2.07 -0.72 -1.18 119.66 125.21 1ykm s GLN 72 Ca 0.04 -1.31 -0.02 0.00 -1.82 0.00 0.00 55.36 52.25 1ykm s GLN 72 Cb -0.13 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1ykm s GLN 72 CO -0.05 -0.31 0.78 0.00 -1.32 0.00 0.00 175.29 174.39 1ykm s ALA 73 N -4.01 3.61 0.97 2.60 0.00 -1.26 -4.57 121.76 119.10 1ykm s ALA 73 Ca 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ykm s ALA 73 Cb 0.06 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ykm s ALA 73 CO 0.00 -0.64 0.00 -0.40 0.00 0.00 0.00 175.76 174.72 1ykm n ASP 74 N -2.34 0.00 0.24 0.00 5.68 -0.61 -4.35 116.55 115.17 1ykm n ASP 74 Ca 0.04 -0.70 0.09 0.00 -0.50 0.00 0.00 54.79 53.72 1ykm n ASP 74 Cb 0.58 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.18 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 -1.95 1.45 -0.02 2.12 0.00 -1.80 0.21 119.26 119.28 1ykm h ALA 75 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ykm h ALA 75 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ykm h ALA 75 CO 0.00 0.20 -0.04 0.09 0.00 0.00 0.00 179.25 179.50 1ykm n ASN 76 N -3.93 1.68 -0.47 0.00 3.02 -1.26 -3.89 115.26 110.41 1ykm n ASN 76 Ca -0.02 -1.50 -0.01 0.00 -0.03 0.00 0.00 54.58 53.02 1ykm n ASN 76 Cb 0.25 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.23 0.64 3.26 7.41 0.00 -0.93 -4.78 105.19 112.02 1ykm n GLY 77 Ca 0.17 -0.71 -0.30 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 -4.67 2.15 -0.39 1.61 2.02 -1.26 -4.68 118.70 113.48 1ykm s GLU 78 Ca 0.02 -0.86 -0.24 0.00 0.02 0.00 0.00 54.97 53.92 1ykm s GLU 78 Cb -0.01 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.28 1ykm s GLU 78 CO 0.03 0.45 0.82 0.71 0.02 0.00 0.00 175.26 177.28 1ykm s TYR 79 N -0.37 3.07 -0.82 1.61 1.51 -1.26 -1.58 117.35 119.50 1ykm s TYR 79 Ca 0.04 0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 56.40 1ykm s TYR 79 Cb -0.11 -3.54 0.12 0.00 -0.11 0.00 0.00 41.96 38.32 1ykm s TYR 79 CO 0.01 -0.83 1.02 -0.65 -1.11 0.00 0.00 175.55 173.99 1ykm s GLN 80 N 3.25 3.42 0.19 -0.62 -1.52 -1.26 -4.90 119.66 118.21 1ykm s GLN 80 Ca 0.32 -1.53 0.08 0.00 -1.95 0.00 0.00 55.36 52.28 1ykm s GLN 80 Cb -0.12 -4.65 0.04 0.00 -0.22 0.00 0.00 33.01 28.05 1ykm s GLN 80 CO 0.19 -1.73 1.42 0.38 -0.25 0.00 0.00 175.29 175.31 1ykm h ASP 81 N 8.99 0.03 -1.38 5.90 2.03 -1.98 -3.25 116.42 126.76 1ykm h ASP 81 Ca -0.00 -0.02 -0.48 0.00 -0.73 0.00 0.00 57.03 55.79 1ykm h ASP 81 Cb 1.04 -0.01 -0.07 0.00 -0.83 0.00 0.00 39.33 39.47 1ykm h ASP 81 CO 1.10 0.85 1.16 0.00 -1.03 0.00 0.00 179.24 181.33 1ykm s ALA 82 N -3.12 2.32 -0.04 4.15 0.00 -1.26 -4.96 121.76 118.84 1ykm s ALA 82 Ca -0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1ykm s ALA 82 Cb 0.11 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 1ykm s ALA 82 CO 0.80 -3.96 1.33 -0.47 0.00 0.00 0.00 175.76 173.46 1ykm s TYR 83 N 7.32 2.92 -0.17 0.00 5.04 -1.26 -5.00 117.35 126.20 1ykm s TYR 83 Ca 0.55 0.94 -0.15 0.00 -2.44 0.00 0.00 57.07 55.97 1ykm s TYR 83 Cb -0.06 -3.58 0.05 0.00 0.35 0.00 0.00 41.96 38.73 1ykm s TYR 83 CO 0.03 -2.05 0.45 1.21 -1.34 0.00 0.00 175.55 173.85 1ykm s ASN 84 N 1.83 -0.49 0.03 4.32 3.84 -1.26 -5.04 114.94 118.16 1ykm s ASN 84 Ca 0.61 0.92 0.26 0.00 0.21 0.00 0.00 52.86 54.85 1ykm s ASN 84 Cb -0.28 0.91 1.06 0.00 -0.55 0.00 0.00 41.25 42.39 1ykm s ASN 84 CO 0.24 -0.16 1.81 0.18 -2.79 0.00 0.00 177.10 176.38 1ykm n LEU 85 N 3.10 0.10 0.05 3.21 4.77 -1.26 -3.06 117.00 123.91 1ykm n LEU 85 Ca -0.15 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 1ykm n LEU 85 Cb 0.57 -0.49 0.32 0.00 -2.33 0.00 0.00 43.42 41.49 1ykm n LEU 85 CO 0.11 -0.09 0.61 -0.62 -1.33 0.00 0.00 177.39 176.07 1ykm n GLU 86 N -1.59 0.19 -2.38 3.23 1.02 -1.26 -4.91 120.64 114.94 1ykm n GLU 86 Ca 0.06 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 1ykm n GLU 86 Cb 0.31 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 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 -3.92 5.99 0.20 1.62 0.01 -1.17 -4.96 114.94 112.71 1ykm s ASN 87 Ca 0.09 2.06 -0.02 0.00 -0.71 0.00 0.00 52.86 54.28 1ykm s ASN 87 Cb 0.15 -2.57 0.15 0.00 0.41 0.00 0.00 41.25 39.39 1ykm s ASN 87 CO 0.65 -1.03 1.54 0.00 -1.51 0.00 0.00 177.10 176.76 1ykm h ALA 88 N 1.33 0.76 -3.70 0.60 0.00 -1.90 -3.45 119.26 112.91 1ykm h ALA 88 Ca -0.50 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 53.67 1ykm h ALA 88 Cb 1.24 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 1ykm h ALA 88 CO 0.58 0.67 -0.73 0.12 0.00 0.00 0.00 179.25 179.89 1ykm s PHE 89 N -4.11 0.11 -0.06 0.00 5.36 -1.26 -0.88 117.98 117.13 1ykm s PHE 89 Ca -0.07 0.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1ykm s PHE 89 Cb 0.12 -0.13 -0.00 0.00 -0.34 0.00 0.00 43.02 42.67 1ykm s PHE 89 CO 0.83 -0.03 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.57 1ykm s ASN 90 N 0.26 2.52 0.18 6.13 0.01 -0.35 -4.99 114.94 118.70 1ykm s ASN 90 Ca -0.02 -0.43 0.25 0.00 -0.71 0.00 0.00 52.86 51.95 1ykm s ASN 90 Cb -0.04 -0.84 0.90 0.00 0.41 0.00 0.00 41.25 41.69 1ykm s ASN 90 CO -0.01 0.16 1.75 -1.20 -1.51 0.00 0.00 177.10 176.30 1ykm n SER 91 N 3.25 0.61 -4.60 -1.22 7.64 -1.23 -4.73 113.62 113.34 1ykm n SER 91 Ca -0.19 0.59 -0.31 0.00 1.01 0.00 0.00 58.87 59.97 1ykm n SER 91 Cb 0.53 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 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 -3.15 2.84 0.12 1.43 5.36 -1.26 -1.75 117.98 121.57 1ykm s PHE 92 Ca 0.09 -0.09 -0.24 0.00 -0.96 0.00 0.00 56.93 55.72 1ykm s PHE 92 Cb 0.12 -1.53 0.08 0.00 -0.34 0.00 0.00 43.02 41.35 1ykm s PHE 92 CO 0.50 0.41 0.68 0.20 -1.46 0.00 0.00 175.22 175.55 1ykm s GLY 93 N -1.86 -0.55 0.01 13.12 0.00 -1.02 -4.82 107.32 112.20 1ykm s GLY 93 Ca 0.20 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.53 1ykm s GLY 93 CO 0.12 0.19 -0.11 0.50 0.00 0.00 0.00 173.10 173.79 1ykm s ARG 94 N -3.59 0.83 0.22 2.90 0.52 -1.00 -1.24 118.95 117.59 1ykm s ARG 94 Ca 0.03 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1ykm s ARG 94 Cb -0.01 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 1ykm s ARG 94 CO -0.11 0.21 0.26 -0.08 0.02 0.00 0.00 175.30 175.60 1ykm s THR 95 N -0.54 0.00 0.20 0.02 -1.32 -0.27 -1.47 115.64 112.25 1ykm s THR 95 Ca 0.02 -1.78 -0.19 0.00 -1.21 0.00 0.00 61.69 58.53 1ykm s THR 95 Cb -0.06 -2.39 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1ykm s THR 95 CO 0.00 0.00 0.56 0.00 -2.21 0.00 0.00 174.62 172.97 1ykm s ALA 96 N -4.10 -1.12 -0.18 11.08 0.00 -1.26 -0.74 121.76 125.43 1ykm s ALA 96 Ca 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1ykm s ALA 96 Cb 0.04 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1ykm s ALA 96 CO 0.11 -0.82 -0.10 0.95 0.00 0.00 0.00 175.76 175.90 1ykm s THR 97 N -3.85 2.99 0.51 0.00 -4.23 -0.92 -4.12 115.64 106.01 1ykm s THR 97 Ca 0.07 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1ykm s THR 97 Cb -0.02 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.56 1ykm s THR 97 CO -0.04 0.48 0.40 0.35 -0.54 0.00 0.00 174.62 175.26 1ykm n THR 98 N 4.38 0.00 0.21 3.99 -2.24 0.14 -3.43 114.28 117.34 1ykm n THR 98 Ca -0.19 -1.99 0.10 0.00 -2.27 0.00 0.00 64.05 59.70 1ykm n THR 98 Cb 0.51 -0.09 0.35 0.00 -2.10 0.00 0.00 70.33 69.01 1ykm n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykm h PHE 99 N 0.62 0.00 0.11 4.78 0.04 -1.93 -2.85 116.94 117.71 1ykm h PHE 99 Ca -0.32 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.17 1ykm h PHE 99 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1ykm h PHE 99 CO 0.00 0.20 -1.45 -0.44 -0.60 0.00 0.00 178.31 176.01 1ykm h ASP 100 N 0.00 0.36 -4.09 2.17 3.32 -1.96 -3.42 116.42 112.81 1ykm h ASP 100 Ca -0.00 -0.84 -0.64 0.00 0.02 0.00 0.00 57.03 55.56 1ykm h ASP 100 Cb 0.89 -0.12 -0.41 0.00 0.22 0.00 0.00 39.33 39.91 1ykm h ASP 100 CO 0.03 1.63 -0.67 0.00 -1.72 0.00 0.00 179.24 178.51 1ykm s ALA 101 N -2.48 3.07 -1.19 3.45 0.00 -1.22 -4.96 121.76 118.43 1ykm s ALA 101 Ca -0.21 -2.97 0.00 0.00 0.00 0.00 0.00 51.96 48.78 1ykm s ALA 101 Cb 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1ykm s ALA 101 CO 0.76 -1.91 0.56 0.41 0.00 0.00 0.00 175.76 175.57 1ykm n GLY 102 N 3.52 0.96 2.88 0.00 0.00 -1.08 0.29 105.19 111.75 1ykm n GLY 102 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.19 0.77 0.35 1.61 2.12 -1.26 -4.63 118.70 116.47 1ykm s GLU 103 Ca 0.00 -0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 1ykm s GLU 103 Cb 0.00 -0.83 -0.08 0.00 0.26 0.00 0.00 34.13 33.48 1ykm s GLU 103 CO 0.00 -0.11 0.74 1.67 -0.54 0.00 0.00 175.26 177.03 1ykm s TRP 104 N 1.02 3.41 0.07 5.30 1.48 -0.76 -4.78 118.94 124.68 1ykm s TRP 104 Ca -0.09 1.13 0.05 0.00 -1.06 0.00 0.00 56.10 56.13 1ykm s TRP 104 Cb -0.14 -2.49 -0.03 0.00 -1.16 0.00 0.00 33.47 29.65 1ykm s TRP 104 CO -0.01 0.02 -0.13 0.95 -4.06 0.00 0.00 176.95 173.73 1ykm s THR 105 N -2.13 1.03 -0.12 0.66 -4.23 -1.26 -2.75 115.64 106.84 1ykm s THR 105 Ca 0.53 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1ykm s THR 105 Cb -0.10 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.71 1ykm s THR 105 CO 0.23 -0.30 0.29 -0.22 -0.54 0.00 0.00 174.62 174.08 1ykm s LEU 106 N -1.86 0.33 -0.29 4.79 2.96 0.29 -4.83 118.68 120.06 1ykm s LEU 106 Ca -0.01 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1ykm s LEU 106 Cb -0.09 0.91 0.02 0.00 0.50 0.00 0.00 46.19 47.54 1ykm s LEU 106 CO 0.02 -0.17 0.05 -1.00 -1.32 0.00 0.00 176.35 173.93 1ykm s HIS 107 N 1.20 3.16 0.09 5.38 3.76 -0.41 -0.76 115.29 127.71 1ykm s HIS 107 Ca -0.09 -1.24 -0.02 0.00 -0.15 0.00 0.00 55.06 53.56 1ykm s HIS 107 Cb -0.09 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.40 1ykm s HIS 107 CO -0.09 -0.65 0.15 -2.37 -0.85 0.00 0.00 174.74 170.93 1ykm n THR 108 N 4.80 0.00 -4.24 1.30 5.66 -1.12 -1.05 114.28 119.63 1ykm n THR 108 Ca -0.14 -0.34 -0.23 0.00 -3.05 0.00 0.00 64.05 60.28 1ykm n THR 108 Cb 0.47 0.25 -0.07 0.00 -1.55 0.00 0.00 70.33 69.43 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 -2.65 3.31 -0.02 1.08 -7.23 -1.26 -0.87 120.40 112.76 1ykm s VAL 109 Ca 0.06 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 1ykm s VAL 109 Cb -0.01 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1ykm s VAL 109 CO 0.04 -0.31 1.32 -0.75 -0.31 0.00 0.00 175.10 175.09 1ykm s LYS 110 N -3.73 4.31 0.51 4.82 2.20 -0.69 -4.85 119.74 122.31 1ykm s LYS 110 Ca 0.33 1.85 -0.21 0.00 -0.36 0.00 0.00 55.97 57.58 1ykm s LYS 110 Cb -0.05 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.65 1ykm s LYS 110 CO 0.21 -0.52 1.16 -1.25 -0.36 0.00 0.00 175.35 174.60 1ykm s PRO 111 N 2.28 3.47 0.87 4.03 0.04 -1.26 -4.23 135.00 140.20 1ykm s PRO 111 Ca 0.61 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 1ykm s PRO 111 Cb -0.29 -2.18 0.15 0.00 0.04 0.00 0.00 34.50 32.23 1ykm s PRO 111 CO 0.25 -0.78 1.21 0.20 0.04 0.00 0.00 177.00 177.92 1ykm s GLY 112 N -1.54 1.74 0.01 0.56 0.00 0.70 -4.72 107.32 104.08 1ykm s GLY 112 Ca 0.69 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 1ykm s GLY 112 CO 0.32 -0.53 0.96 0.14 0.00 0.00 0.00 173.10 173.99 1ykm s VAL 113 N -3.64 4.83 0.09 1.40 1.01 -1.26 -4.54 120.40 118.28 1ykm s VAL 113 Ca 0.69 2.02 0.10 0.00 0.00 0.00 0.00 61.98 64.79 1ykm s VAL 113 Cb -0.06 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1ykm s VAL 113 CO 0.50 0.19 -0.25 0.68 0.00 0.00 0.00 175.10 176.21 1ykm s VAL 114 N 0.84 2.10 0.35 2.92 -7.23 -1.26 -4.56 120.40 113.56 1ykm s VAL 114 Ca 0.50 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1ykm s VAL 114 Cb -0.21 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1ykm s VAL 114 CO 0.28 0.19 0.61 0.20 -0.31 0.00 0.00 175.10 176.07 1ykm s ASN 115 N -1.64 6.37 0.69 4.85 -0.87 -1.26 -1.33 114.94 121.75 1ykm s ASN 115 Ca 0.12 0.71 -0.02 0.00 -1.57 0.00 0.00 52.86 52.10 1ykm s ASN 115 Cb -0.10 -2.15 0.05 0.00 -0.02 0.00 0.00 41.25 39.03 1ykm s ASN 115 CO 0.04 -0.31 0.31 -0.46 -2.57 0.00 0.00 177.10 174.10 1ykm n ASN 116 N -1.46 0.22 0.04 -1.22 6.94 -0.26 -4.88 115.26 114.65 1ykm n ASN 116 Ca -0.02 -1.23 0.03 0.00 -0.02 0.00 0.00 54.58 53.34 1ykm n ASN 116 Cb 0.55 -0.22 0.42 0.00 -2.36 0.00 0.00 39.78 38.17 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 -1.09 1.65 -0.00 -2.53 0.00 -2.00 -2.21 119.26 113.07 1ykm h ALA 117 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ykm h ALA 117 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ykm h ALA 117 CO 0.09 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.60 1ykm n ALA 118 N -2.48 2.66 -0.64 0.00 0.00 -1.26 -4.90 120.51 113.87 1ykm n ALA 118 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ykm n ALA 118 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.12 0.74 3.74 0.00 0.00 -0.83 -5.06 105.19 104.90 1ykm n GLY 119 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.53 4.99 0.25 1.61 1.01 -1.26 -4.76 120.40 119.71 1ykm s VAL 120 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1ykm s VAL 120 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1ykm s VAL 120 CO 0.00 0.33 1.44 -2.84 0.00 0.00 0.00 175.10 174.03 1ykm s PRO 121 N 0.35 4.27 0.02 2.72 0.02 -1.26 -1.10 135.00 140.02 1ykm s PRO 121 Ca 0.34 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 1ykm s PRO 121 Cb -0.18 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1ykm s PRO 121 CO 0.17 -0.41 0.15 -1.64 -0.33 0.00 0.00 177.00 174.94 1ykm s MET 122 N -0.34 3.28 0.64 5.54 -1.94 -0.44 -4.43 119.30 121.60 1ykm s MET 122 Ca 0.59 -0.43 -0.16 0.00 -1.71 0.00 0.00 55.69 53.98 1ykm s MET 122 Cb -0.42 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 33.43 1ykm s MET 122 CO 0.43 0.64 1.11 0.00 -0.01 0.00 0.00 175.02 177.19 1ykm s ALA 123 N -1.34 2.51 -0.17 3.03 0.00 -1.26 -4.07 121.76 120.46 1ykm s ALA 123 Ca 0.28 0.59 -0.35 0.00 0.00 0.00 0.00 51.96 52.48 1ykm s ALA 123 Cb -0.12 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1ykm s ALA 123 CO 0.20 -1.19 1.94 -2.30 0.00 0.00 0.00 175.76 174.40 1ykm n PRO 124 N -2.24 1.83 -4.14 0.00 -0.02 -1.26 -4.88 135.00 124.29 1ykm n PRO 124 Ca 0.11 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1ykm n PRO 124 Cb 0.52 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.83 0.79 -0.11 6.00 -3.43 -1.26 -4.28 115.29 117.83 1ykm s HIS 125 Ca 0.97 -1.11 0.01 0.00 -0.80 0.00 0.00 55.06 54.13 1ykm s HIS 125 Cb -0.75 -0.48 0.02 0.00 -1.43 0.00 0.00 32.58 29.93 1ykm s HIS 125 CO 0.52 -0.39 -0.13 0.42 -2.00 0.00 0.00 174.74 173.17 1ykm s ILE 126 N -3.90 1.37 -0.12 -5.38 1.01 -0.81 -4.62 121.20 108.74 1ykm s ILE 126 Ca 0.17 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 1ykm s ILE 126 Cb 0.07 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1ykm s ILE 126 CO -0.03 0.42 0.87 0.20 0.00 0.00 0.00 174.94 176.40 1ykm s ASN 127 N 1.20 7.07 -0.03 3.58 0.01 -0.33 -1.00 114.94 125.44 1ykm s ASN 127 Ca -0.03 1.31 0.07 0.00 -0.71 0.00 0.00 52.86 53.51 1ykm s ASN 127 Cb -0.14 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1ykm s ASN 127 CO -0.04 -0.36 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.31 1ykm s ILE 128 N 1.83 2.19 -0.15 0.60 1.01 -0.30 -1.10 121.20 125.28 1ykm s ILE 128 Ca 0.42 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1ykm s ILE 128 Cb -0.18 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1ykm s ILE 128 CO 0.16 0.58 -0.16 -0.44 0.00 0.00 0.00 174.94 175.08 1ykm s SER 129 N -0.61 2.77 -0.20 3.58 0.01 -0.26 -0.85 113.70 118.13 1ykm s SER 129 Ca 0.10 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 1ykm s SER 129 Cb -0.10 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 1ykm s SER 129 CO -0.01 -0.03 0.05 -0.22 0.41 0.00 0.00 173.24 173.44 1ykm s LEU 130 N 1.38 3.63 0.10 2.44 2.96 0.49 -1.45 118.68 128.24 1ykm s LEU 130 Ca 0.04 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1ykm s LEU 130 Cb -0.13 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1ykm s LEU 130 CO -0.10 0.11 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.48 1ykm s PHE 131 N 0.74 1.72 0.00 5.38 0.40 0.31 -1.90 117.98 124.63 1ykm s PHE 131 Ca 0.03 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1ykm s PHE 131 Cb -0.14 -0.94 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1ykm s PHE 131 CO 0.02 0.19 0.00 0.00 0.70 0.00 0.00 175.22 176.13 1ykm n ALA 132 N 1.09 0.00 -1.77 5.36 0.00 -1.26 -0.24 120.51 123.69 1ykm n ALA 132 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1ykm n ALA 132 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1ykm n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ykm s ARG 133 N -2.00 4.42 0.00 0.00 1.70 -1.25 -2.40 118.95 119.41 1ykm s ARG 133 Ca 0.00 2.02 0.00 0.00 -0.47 0.00 0.00 55.73 57.28 1ykm s ARG 133 Cb 0.00 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 1ykm s ARG 133 CO 0.00 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.56 1ykm n GLY 134 N 0.91 1.51 3.18 3.88 0.00 -1.26 -4.99 105.19 108.42 1ykm n GLY 134 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.35 3.86 0.16 -0.61 1.01 -1.01 -4.98 121.20 117.28 1ykm s ILE 135 Ca 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 60.65 58.63 1ykm s ILE 135 Cb 0.00 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.95 1ykm s ILE 135 CO 0.00 -0.74 1.72 0.78 0.00 0.00 0.00 174.94 176.70 1ykm h ASN 136 N 8.30 0.73 -3.64 3.58 2.35 -1.90 -3.37 115.58 121.62 1ykm h ASN 136 Ca -0.18 -0.16 -0.48 0.00 -0.55 0.00 0.00 56.30 54.93 1ykm h ASN 136 Cb 1.06 -0.19 -0.32 0.00 0.05 0.00 0.00 38.32 38.92 1ykm h ASN 136 CO 0.80 0.69 -0.80 -0.51 -1.65 0.00 0.00 177.43 175.95 1ykm s ILE 137 N -5.58 0.97 0.50 2.81 2.07 -1.26 -3.19 121.20 117.51 1ykm s ILE 137 Ca -0.13 -0.42 -0.22 0.00 -1.41 0.00 0.00 60.65 58.47 1ykm s ILE 137 Cb 0.12 -0.88 -0.08 0.00 0.13 0.00 0.00 42.46 41.75 1ykm s ILE 137 CO 0.78 0.31 0.94 0.00 -1.91 0.00 0.00 174.94 175.05 1ykm n HIS 138 N 3.55 0.85 -3.53 3.50 1.44 -1.26 -5.00 115.22 114.77 1ykm n HIS 138 Ca -0.21 0.50 -0.36 0.00 -2.01 0.00 0.00 57.72 55.64 1ykm n HIS 138 Cb 0.53 -2.17 -0.07 0.00 0.12 0.00 0.00 29.99 28.40 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 -0.86 4.24 -0.20 2.39 1.43 -0.80 -4.90 118.68 119.98 1ykm s LEU 139 Ca 0.68 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.18 1ykm s LEU 139 Cb -0.50 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1ykm s LEU 139 CO 0.53 0.09 0.13 -1.00 0.23 0.00 0.00 176.35 176.33 1ykm s HIS 140 N 0.53 3.41 0.28 0.29 3.76 -1.26 -0.38 115.29 121.93 1ykm s HIS 140 Ca 0.17 0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 55.39 1ykm s HIS 140 Cb -0.13 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1ykm s HIS 140 CO 0.04 0.30 0.33 -0.08 -0.85 0.00 0.00 174.74 174.48 1ykm s THR 141 N 0.33 0.00 0.01 1.30 -1.32 -0.03 -0.30 115.64 115.63 1ykm s THR 141 Ca 0.08 -1.75 0.04 0.00 -1.21 0.00 0.00 61.69 58.85 1ykm s THR 141 Cb -0.11 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.39 1ykm s THR 141 CO -0.02 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.13 1ykm s ARG 142 N -3.67 0.98 -0.24 7.08 0.52 -1.26 -1.15 118.95 121.20 1ykm s ARG 142 Ca 0.33 -0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 54.90 1ykm s ARG 142 Cb 0.02 -0.96 -0.03 0.00 0.52 0.00 0.00 34.95 34.51 1ykm s ARG 142 CO 0.17 0.25 0.06 -1.17 0.02 0.00 0.00 175.30 174.63 1ykm s LEU 143 N -0.63 3.43 0.34 2.53 0.20 -0.17 -4.72 118.68 119.66 1ykm s LEU 143 Ca 0.03 -0.19 0.08 0.00 0.69 0.00 0.00 54.13 54.75 1ykm s LEU 143 Cb -0.06 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1ykm s LEU 143 CO 0.00 -0.01 0.13 -0.31 -0.29 0.00 0.00 176.35 175.87 1ykm s TYR 144 N 1.46 2.68 -0.06 5.38 1.51 0.11 -1.92 117.35 126.51 1ykm s TYR 144 Ca 0.06 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1ykm s TYR 144 Cb -0.15 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1ykm s TYR 144 CO 0.03 0.35 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.64 1ykm s PHE 145 N -2.44 2.77 0.09 2.71 0.40 -1.26 -0.31 117.98 119.93 1ykm s PHE 145 Ca 0.37 -0.13 0.32 0.00 -0.60 0.00 0.00 56.93 56.89 1ykm s PHE 145 Cb -0.02 -1.66 1.26 0.00 0.51 0.00 0.00 43.02 43.11 1ykm s PHE 145 CO 0.22 0.21 1.95 0.38 0.70 0.00 0.00 175.22 178.68 1ykm h ASP 146 N 5.38 0.00 -0.30 1.36 2.03 -1.84 -2.93 116.42 120.12 1ykm h ASP 146 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1ykm h ASP 146 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1ykm h ASP 146 CO 0.51 0.04 0.00 -0.90 -1.03 0.00 0.00 179.24 177.86 1ykm n ASP 147 N -3.15 1.74 -0.97 4.15 5.75 -1.26 -3.58 116.55 119.22 1ykm n ASP 147 Ca 0.01 -2.04 0.01 0.00 -0.01 0.00 0.00 54.79 52.77 1ykm n ASP 147 Cb 0.33 -0.24 0.15 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.37 1.66 -0.13 0.11 -0.58 -1.11 -4.88 120.64 116.09 1ykm n GLU 148 Ca 0.10 -3.26 0.23 0.00 -0.42 0.00 0.00 57.16 53.82 1ykm n GLU 148 Cb 0.29 -1.49 0.66 0.00 -0.57 0.00 0.00 31.44 30.33 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 1.20 2.57 -0.20 0.62 0.00 -1.74 -1.35 119.26 120.37 1ykm h ALA 149 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ykm h ALA 149 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ykm h ALA 149 CO 0.12 -0.79 -0.08 1.96 0.00 0.00 0.00 179.25 180.45 1ykm h GLN 150 N 0.10 0.40 -0.06 0.00 4.20 -1.93 -2.98 115.11 114.85 1ykm h GLN 150 Ca 0.37 -0.17 -0.18 0.00 0.06 0.00 0.00 58.65 58.73 1ykm h GLN 150 Cb 1.33 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1ykm h GLN 150 CO -0.04 0.69 -0.73 0.00 -0.67 0.00 0.00 178.83 178.08 1ykm h ALA 151 N 0.70 0.65 -0.02 3.87 0.00 -1.80 -3.24 119.26 119.42 1ykm h ALA 151 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1ykm h ALA 151 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ykm h ALA 151 CO 0.03 0.78 -0.13 -0.91 0.00 0.00 0.00 179.25 179.02 1ykm h ASN 152 N 0.21 0.03 1.90 0.00 2.35 -1.28 -2.08 115.58 116.70 1ykm h ASN 152 Ca -0.03 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1ykm h ASN 152 Cb 1.29 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 1ykm h ASN 152 CO 0.12 0.16 -0.08 0.00 -1.65 0.00 0.00 177.43 175.99 1ykm h ALA 153 N 1.84 0.95 -0.00 -0.83 0.00 -1.54 -3.25 119.26 116.42 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 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ykm h ALA 153 CO 0.02 0.09 -0.79 1.63 0.00 0.00 0.00 179.25 180.21 1ykm n LYS 154 N -3.12 0.67 -1.77 0.00 4.76 -0.97 -4.93 118.16 112.80 1ykm n LYS 154 Ca 0.04 -0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 54.74 1ykm n LYS 154 Cb 0.55 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 1ykm n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykm h PRO 156 N 10.73 0.00 0.09 0.00 0.13 -1.93 -1.40 132.00 139.62 1ykm h PRO 156 Ca -0.46 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1ykm h PRO 156 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1ykm h PRO 156 CO 0.95 0.00 -1.72 0.28 -0.23 0.00 0.00 178.00 177.27 1ykm h VAL 157 N 0.00 0.75 0.00 1.56 2.07 -1.94 -3.32 116.25 115.36 1ykm h VAL 157 Ca 0.00 -2.30 -0.08 0.00 0.82 0.00 0.00 66.70 65.15 1ykm h VAL 157 Cb 0.19 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1ykm h VAL 157 CO 0.00 0.70 -0.36 0.25 0.02 0.00 0.00 177.57 178.18 1ykm h LEU 158 N -0.29 0.00 -0.09 2.57 5.85 -1.84 -2.50 115.31 119.00 1ykm h LEU 158 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1ykm h LEU 158 Cb 1.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1ykm h LEU 158 CO -0.01 0.36 -0.04 0.59 -0.34 0.00 0.00 178.44 179.00 1ykm n ASN 159 N -3.95 0.18 0.04 1.25 3.02 -0.55 -3.06 115.26 112.20 1ykm n ASN 159 Ca -0.02 -0.39 0.13 0.00 -0.03 0.00 0.00 54.58 54.27 1ykm n ASN 159 Cb 0.42 -0.17 0.39 0.00 -0.61 0.00 0.00 39.78 39.80 1ykm n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykm n LEU 160 N -1.13 0.47 -4.51 3.41 4.77 -0.94 -4.61 117.00 114.46 1ykm n LEU 160 Ca 0.15 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 1ykm n LEU 160 Cb 0.24 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1ykm n LEU 160 CO 0.23 -0.04 0.83 -0.63 -1.33 0.00 0.00 177.39 176.45 1ykm s ILE 161 N -3.06 4.26 0.22 -0.08 1.01 -1.17 -4.95 121.20 117.43 1ykm s ILE 161 Ca 0.11 0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 1ykm s ILE 161 Cb 0.16 -4.64 0.22 0.00 0.01 0.00 0.00 42.46 38.21 1ykm s ILE 161 CO 0.62 -1.32 1.56 -0.33 0.00 0.00 0.00 174.94 175.47 1ykm h GLU 162 N 9.49 -0.03 -5.43 2.79 5.08 -1.89 -3.40 114.58 121.18 1ykm h GLU 162 Ca -0.27 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.48 1ykm h GLU 162 Cb 1.07 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 1ykm h GLU 162 CO 1.15 -0.02 -0.06 -0.65 -1.00 0.00 0.00 179.01 178.43 1ykm s GLN 163 N -5.96 4.13 0.45 2.33 -1.52 -1.26 -4.99 119.66 112.84 1ykm s GLN 163 Ca -0.14 0.34 0.18 0.00 -1.95 0.00 0.00 55.36 53.78 1ykm s GLN 163 Cb 0.20 -3.60 1.12 0.00 -0.22 0.00 0.00 33.01 30.51 1ykm s GLN 163 CO 0.71 -0.22 1.94 -1.35 -0.25 0.00 0.00 175.29 176.12 1ykm h PRO 164 N 7.70 0.32 0.00 2.91 0.11 -1.98 -2.42 132.00 138.64 1ykm h PRO 164 Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 1ykm h PRO 164 Cb 1.15 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ykm h PRO 164 CO 0.72 0.21 -0.21 1.96 -0.21 0.00 0.00 178.00 180.47 1ykm h GLN 165 N 0.33 0.00 0.00 1.05 7.50 -1.96 -2.62 115.11 119.41 1ykm h GLN 165 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 1ykm h GLN 165 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.40 1ykm h GLN 165 CO -0.09 0.21 -0.31 0.00 -1.50 0.00 0.00 178.83 177.14 1ykm h ARG 166 N 0.00 0.00 -0.12 1.46 3.08 -1.83 -3.29 114.38 113.69 1ykm h ARG 166 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1ykm h ARG 166 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1ykm h ARG 166 CO 0.03 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.45 1ykm h ARG 167 N 0.00 0.30 0.00 0.04 3.08 -1.51 -3.04 114.38 113.25 1ykm h ARG 167 Ca 0.00 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1ykm h ARG 167 Cb 0.94 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ykm h ARG 167 CO 0.00 0.72 -0.01 0.93 -1.07 0.00 0.00 179.97 180.54 1ykm h GLU 168 N 0.24 0.00 0.00 0.04 5.08 -1.62 -2.19 114.58 116.13 1ykm h GLU 168 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ykm h GLU 168 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ykm h GLU 168 CO 0.08 0.01 0.00 1.79 -1.00 0.00 0.00 179.01 179.89 1ykm h THR 169 N 0.00 0.00 -0.01 1.13 1.35 -1.72 -2.96 112.91 110.69 1ykm h THR 169 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1ykm h THR 169 Cb 0.04 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ykm h THR 169 CO 0.00 0.00 -0.39 0.18 -0.25 0.00 0.00 175.52 175.07 1ykm n LEU 170 N -2.73 1.70 -4.60 3.87 4.77 -0.82 -4.80 117.00 114.39 1ykm n LEU 170 Ca 0.03 -0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 55.03 1ykm n LEU 170 Cb 0.36 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1ykm n LEU 170 CO 0.27 0.32 0.02 -0.63 -1.33 0.00 0.00 177.39 176.04 1ykm s ILE 171 N -2.47 5.20 0.12 -0.08 1.01 -1.12 0.04 121.20 123.90 1ykm s ILE 171 Ca 0.21 0.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 1ykm s ILE 171 Cb 0.19 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 1ykm s ILE 171 CO 0.55 0.17 0.82 0.00 0.00 0.00 0.00 174.94 176.47 1ykm s ALA 172 N 2.01 3.37 -0.05 9.38 0.00 0.57 -4.90 121.76 132.15 1ykm s ALA 172 Ca 0.13 0.40 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 1ykm s ALA 172 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1ykm s ALA 172 CO 0.10 0.14 0.74 0.15 0.00 0.00 0.00 175.76 176.90 1ykm s LYS 173 N -0.54 4.46 0.05 0.00 -0.14 -0.57 -2.54 119.74 120.45 1ykm s LYS 173 Ca 0.39 0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 55.66 1ykm s LYS 173 Cb -0.22 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 1ykm s LYS 173 CO 0.26 0.06 1.10 0.50 -0.76 0.00 0.00 175.35 176.52 1ykm s ARG 174 N 0.77 4.50 0.23 1.68 3.52 -1.26 -0.44 118.95 127.95 1ykm s ARG 174 Ca 0.40 1.62 0.01 0.00 -0.13 0.00 0.00 55.73 57.63 1ykm s ARG 174 Cb -0.18 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1ykm s ARG 174 CO 0.20 -0.13 0.27 0.00 -0.81 0.00 0.00 175.30 174.82 1ykm s GLU 176 N -2.68 0.94 -0.24 0.00 2.02 -1.26 -2.03 118.70 115.45 1ykm s GLU 176 Ca 0.22 -0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.15 1ykm s GLU 176 Cb 0.00 -1.07 0.06 0.00 0.10 0.00 0.00 34.13 33.22 1ykm s GLU 176 CO 0.16 -0.19 -0.08 0.08 0.02 0.00 0.00 175.26 175.25 1ykm s VAL 177 N 1.44 1.78 -1.59 2.63 1.01 -1.02 -4.79 120.40 119.86 1ykm s VAL 177 Ca -0.02 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 1ykm s VAL 177 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ykm s VAL 177 CO -0.03 -0.05 0.32 0.47 0.00 0.00 0.00 175.10 175.81 1ykm n ASP 178 N 4.58 -5.85 0.00 3.32 8.00 -1.26 -2.28 116.55 123.06 1ykm n ASP 178 Ca -0.13 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1ykm n ASP 178 Cb 0.44 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -1.28 0.88 3.89 0.44 0.00 -1.26 -5.03 105.19 102.83 1ykm n GLY 179 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.06 3.48 -0.04 1.61 2.47 -0.97 -5.06 119.74 121.18 1ykm s LYS 180 Ca 0.00 -0.18 -0.30 0.00 -1.56 0.00 0.00 55.97 53.93 1ykm s LYS 180 Cb 0.00 -3.13 -0.05 0.00 -1.46 0.00 0.00 37.83 33.19 1ykm s LYS 180 CO 0.00 0.71 1.42 0.99 0.16 0.00 0.00 175.35 178.63 1ykm s THR 181 N -1.20 3.78 0.10 3.43 2.01 -1.26 -2.43 115.64 120.06 1ykm s THR 181 Ca 0.23 1.10 0.06 0.00 0.31 0.00 0.00 61.69 63.38 1ykm s THR 181 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1ykm s THR 181 CO 0.13 -0.03 -0.14 0.00 -0.69 0.00 0.00 174.62 173.88 1ykm s ALA 182 N 2.88 1.38 -0.06 7.40 0.00 -0.86 -0.90 121.76 131.58 1ykm s ALA 182 Ca 0.64 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1ykm s ALA 182 Cb -0.30 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ykm s ALA 182 CO 0.25 0.14 -0.08 0.71 0.00 0.00 0.00 175.76 176.78 1ykm s TYR 183 N -1.72 1.15 -0.23 0.00 1.51 -0.48 -0.93 117.35 116.64 1ykm s TYR 183 Ca 0.04 -0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 55.56 1ykm s TYR 183 Cb -0.07 -0.92 -0.05 0.00 -0.11 0.00 0.00 41.96 40.81 1ykm s TYR 183 CO 0.03 -0.28 0.24 0.50 -1.11 0.00 0.00 175.55 174.93 1ykm s ARG 184 N 0.96 4.10 -0.31 -0.62 3.52 0.42 -2.24 118.95 124.78 1ykm s ARG 184 Ca -0.10 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1ykm s ARG 184 Cb -0.15 -3.54 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 1ykm s ARG 184 CO 0.00 0.02 0.08 0.12 -0.81 0.00 0.00 175.30 174.72 1ykm s PHE 185 N 1.15 1.97 -0.08 5.12 5.36 -0.42 -1.52 117.98 129.56 1ykm s PHE 185 Ca 0.11 -1.86 -0.15 0.00 -0.96 0.00 0.00 56.93 54.07 1ykm s PHE 185 Cb -0.14 -1.84 -0.05 0.00 -0.34 0.00 0.00 43.02 40.65 1ykm s PHE 185 CO 0.06 -0.87 0.37 -0.51 -1.46 0.00 0.00 175.22 172.80 1ykm s ASP 186 N 1.53 6.64 -0.18 6.13 1.01 -1.26 -4.03 116.67 126.50 1ykm s ASP 186 Ca 0.09 0.75 -0.07 0.00 0.71 0.00 0.00 52.55 54.03 1ykm s ASP 186 Cb -0.17 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1ykm s ASP 186 CO -0.22 0.19 0.04 -0.63 0.21 0.00 0.00 175.17 174.77 1ykm s ILE 187 N -0.23 4.62 -0.32 0.77 1.01 -0.61 -4.97 121.20 121.46 1ykm s ILE 187 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1ykm s ILE 187 Cb -0.15 -3.07 0.09 0.00 0.01 0.00 0.00 42.46 39.34 1ykm s ILE 187 CO 0.09 0.47 0.02 -0.13 0.00 0.00 0.00 174.94 175.39 1ykm s ARG 188 N 0.38 1.75 0.29 2.79 0.52 -1.26 -0.99 118.95 122.42 1ykm s ARG 188 Ca 0.02 -1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1ykm s ARG 188 Cb -0.13 -3.16 0.42 0.00 0.52 0.00 0.00 34.95 32.60 1ykm s ARG 188 CO 0.01 -0.85 1.92 0.82 0.02 0.00 0.00 175.30 177.22 1ykm h ILE 189 N 6.62 1.22 -3.64 1.52 2.04 -1.63 -0.25 117.51 123.39 1ykm h ILE 189 Ca -0.09 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1ykm h ILE 189 Cb 1.03 0.22 -0.18 0.00 -0.74 0.00 0.00 36.82 37.15 1ykm h ILE 189 CO 0.52 0.24 -0.45 -1.58 0.00 0.00 0.00 178.15 176.88 1ykm s GLN 190 N -5.69 0.63 0.81 2.37 0.74 -1.26 -4.76 119.66 112.49 1ykm s GLN 190 Ca -0.11 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1ykm s GLN 190 Cb 0.17 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1ykm s GLN 190 CO 0.80 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.78 1ykm n GLY 191 N 0.82 -0.30 3.70 2.59 0.00 -1.26 -4.22 105.19 106.52 1ykm n GLY 191 Ca -0.19 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 4.29 -0.63 1.61 2.12 -1.26 -2.68 118.70 122.14 1ykm s GLU 192 Ca 0.00 2.07 -0.01 0.00 0.36 0.00 0.00 54.97 57.39 1ykm s GLU 192 Cb 0.00 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1ykm s GLU 192 CO 0.00 -0.53 0.09 0.41 -0.54 0.00 0.00 175.26 174.68 1ykm n GLY 193 N 3.62 0.12 3.71 -1.50 0.00 -1.26 -4.97 105.19 104.92 1ykm n GLY 193 Ca 0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ykm n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 194 N -4.61 4.17 0.32 1.61 2.12 -1.09 -4.65 118.70 116.58 1ykm s GLU 194 Ca 0.04 2.47 -0.29 0.00 0.36 0.00 0.00 54.97 57.56 1ykm s GLU 194 Cb -0.02 -3.22 -0.10 0.00 0.26 0.00 0.00 34.13 31.04 1ykm s GLU 194 CO 0.05 -0.70 1.34 0.99 -0.54 0.00 0.00 175.26 176.40 1ykm s THR 195 N 1.49 2.66 0.08 -1.70 2.01 -0.11 -4.97 115.64 115.11 1ykm s THR 195 Ca 0.73 0.65 -0.31 0.00 0.31 0.00 0.00 61.69 63.07 1ykm s THR 195 Cb -0.46 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 1ykm s THR 195 CO 0.32 0.15 1.34 -0.69 -0.69 0.00 0.00 174.62 175.04 1ykm s VAL 196 N -0.97 3.58 -0.00 3.82 1.01 -1.26 -4.95 120.40 121.64 1ykm s VAL 196 Ca 0.51 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.68 1ykm s VAL 196 Cb -0.41 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1ykm s VAL 196 CO 0.52 0.07 -0.23 -0.36 0.00 0.00 0.00 175.10 175.11 1ykm s PHE 197 N 1.31 2.42 0.37 5.22 0.08 -1.26 -4.68 117.98 121.44 1ykm s PHE 197 Ca 0.63 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.39 1ykm s PHE 197 Cb -0.34 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1ykm s PHE 197 CO 0.29 0.08 0.38 -0.06 -0.10 0.00 0.00 175.22 175.81 1ykm s PHE 198 N -0.72 2.88 -0.02 0.36 0.08 0.59 -4.98 117.98 116.16 1ykm s PHE 198 Ca 0.11 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 1ykm s PHE 198 Cb -0.10 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1ykm s PHE 198 CO 0.01 0.00 0.03 0.34 -0.10 0.00 0.00 175.22 175.50 1ykm s ASP 199 N -4.10 0.28 0.00 1.36 3.68 -1.26 -4.31 116.67 112.32 1ykm s ASP 199 Ca 0.45 0.04 0.00 0.00 2.13 0.00 0.00 52.55 55.17 1ykm s ASP 199 Cb -0.06 -0.10 0.00 0.00 -1.45 0.00 0.00 42.92 41.31 1ykm s ASP 199 CO 0.28 -0.15 0.00 2.22 0.13 0.00 0.00 175.17 177.66