#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 4.39 -0.16 4.25 -1.09 -1.26 -5.02 121.20 122.31 1ykm s ILE 2 Ca 0.00 1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 60.01 1ykm s ILE 2 Cb 0.00 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1ykm s ILE 2 CO 0.00 -0.34 -0.05 -1.61 -1.23 0.00 0.00 174.94 171.71 1ykm s GLU 3 N 3.67 3.63 0.47 2.79 0.41 -1.26 -5.12 118.70 123.28 1ykm s GLU 3 Ca 0.50 -0.54 0.02 0.00 -0.41 0.00 0.00 54.97 54.54 1ykm s GLU 3 Cb -0.16 -2.89 0.09 0.00 -1.78 0.00 0.00 34.13 29.39 1ykm s GLU 3 CO 0.15 0.21 0.64 1.28 -0.49 0.00 0.00 175.26 177.06 1ykm n LEU 4 N 3.61 0.00 -4.73 1.80 4.32 -1.26 -5.05 117.00 115.68 1ykm n LEU 4 Ca -0.17 -1.51 -0.41 0.00 -0.02 0.00 0.00 56.01 53.90 1ykm n LEU 4 Cb 0.52 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1ykm n LEU 4 CO 0.32 -0.78 0.98 -0.76 -1.22 0.00 0.00 177.39 175.94 1ykm s LEU 5 N 0.00 4.41 0.44 2.23 1.43 -1.26 -4.98 118.68 120.96 1ykm s LEU 5 Ca 0.44 2.38 -0.23 0.00 -1.03 0.00 0.00 54.13 55.68 1ykm s LEU 5 Cb -0.03 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1ykm s LEU 5 CO 0.29 -0.53 1.14 -2.84 0.23 0.00 0.00 176.35 174.64 1ykm s PRO 6 N 0.01 3.87 0.47 1.29 0.02 -1.26 -5.01 135.00 134.39 1ykm s PRO 6 Ca 0.57 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1ykm s PRO 6 Cb -0.36 -2.45 -0.07 0.00 0.02 0.00 0.00 34.50 31.64 1ykm s PRO 6 CO 0.37 -0.45 1.14 -2.00 -0.33 0.00 0.00 177.00 175.74 1ykm s GLU 7 N -2.64 3.74 0.07 5.54 2.12 -1.26 -4.96 118.70 121.32 1ykm s GLU 7 Ca 0.62 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 57.34 1ykm s GLU 7 Cb -0.27 -2.34 -0.08 0.00 0.26 0.00 0.00 34.13 31.69 1ykm s GLU 7 CO 0.33 -0.55 1.67 0.99 -0.54 0.00 0.00 175.26 177.16 1ykm s THR 8 N -1.61 2.99 0.47 -1.70 2.01 -1.26 -4.94 115.64 111.60 1ykm s THR 8 Ca 0.64 0.45 -0.24 0.00 0.31 0.00 0.00 61.69 62.85 1ykm s THR 8 Cb -0.27 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 1ykm s THR 8 CO 0.32 -0.00 1.39 -2.84 -0.69 0.00 0.00 174.62 172.80 1ykm s PRO 9 N 2.63 3.56 0.50 4.92 0.02 -1.26 -5.01 135.00 140.36 1ykm s PRO 9 Ca 0.74 2.34 -0.17 0.00 0.02 0.00 0.00 61.00 63.93 1ykm s PRO 9 Cb -0.40 -2.55 -0.08 0.00 0.02 0.00 0.00 34.50 31.49 1ykm s PRO 9 CO 0.33 -0.89 0.98 0.45 -0.33 0.00 0.00 177.00 177.54 1ykm s SER 10 N -0.66 6.62 0.05 2.53 0.15 -1.26 -5.09 113.70 116.05 1ykm s SER 10 Ca 0.64 1.62 -0.00 0.00 0.70 0.00 0.00 55.95 58.90 1ykm s SER 10 Cb -0.42 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.33 1ykm s SER 10 CO 0.53 -0.58 -0.04 -1.10 1.20 0.00 0.00 173.24 173.25 1ykm s GLN 11 N -3.87 0.58 0.60 5.44 -1.52 -1.21 -4.90 119.66 114.79 1ykm s GLN 11 Ca 0.60 -1.10 -0.20 0.00 -1.95 0.00 0.00 55.36 52.72 1ykm s GLN 11 Cb -0.10 0.10 -0.03 0.00 -0.22 0.00 0.00 33.01 32.76 1ykm s GLN 11 CO 0.28 -0.08 1.30 -0.08 -0.25 0.00 0.00 175.29 176.46 1ykm s THR 12 N -3.26 2.18 0.24 -0.19 -1.32 -1.23 -4.78 115.64 107.28 1ykm s THR 12 Ca 0.02 0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.86 1ykm s THR 12 Cb 0.03 -3.05 0.23 0.00 -1.51 0.00 0.00 72.50 68.20 1ykm s THR 12 CO -0.07 -0.02 1.90 0.00 -2.21 0.00 0.00 174.62 174.22 1ykm h ALA 13 N 0.96 1.12 0.00 11.08 0.00 -1.76 -3.50 119.26 127.16 1ykm h ALA 13 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1ykm h ALA 13 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ykm h ALA 13 CO 0.55 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1ykm n GLY 14 N -0.14 -0.91 0.20 0.00 0.00 -1.26 -4.14 105.19 98.93 1ykm n GLY 14 Ca -0.01 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 0.07 -0.94 1.61 0.13 -1.92 -3.19 132.00 127.76 1ykm h PRO 15 Ca 0.00 -0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.47 1ykm h PRO 15 Cb 0.00 -0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.81 1ykm h PRO 15 CO 0.00 0.39 0.54 0.66 -0.23 0.00 0.00 178.00 179.35 1ykm n TYR 16 N -4.14 3.09 0.26 1.56 4.01 -1.26 -4.61 117.16 116.07 1ykm n TYR 16 Ca -0.02 -2.80 0.11 0.00 -0.16 0.00 0.00 57.90 55.04 1ykm n TYR 16 Cb 0.38 -1.21 0.72 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.21 0.70 -0.05 -0.72 3.04 -1.71 -2.90 116.25 115.83 1ykm h VAL 17 Ca 0.56 -0.40 -0.04 0.00 -1.01 0.00 0.00 66.70 65.80 1ykm h VAL 17 Cb 1.07 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1ykm h VAL 17 CO 1.39 0.10 -0.17 0.45 -1.01 0.00 0.00 177.57 178.33 1ykm h HIS 18 N 0.00 0.08 0.00 3.17 3.86 -1.86 -2.45 115.15 117.95 1ykm h HIS 18 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ykm h HIS 18 Cb 0.24 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1ykm h HIS 18 CO 0.00 0.25 0.00 -0.84 0.86 0.00 0.00 177.93 178.20 1ykm h ILE 19 N 0.07 0.00 0.00 2.45 3.07 -1.74 0.01 117.51 121.37 1ykm h ILE 19 Ca 0.01 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1ykm h ILE 19 Cb 0.35 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1ykm h ILE 19 CO 0.02 0.00 -1.13 0.61 -1.05 0.00 0.00 178.15 176.60 1ykm n GLY 20 N -0.34 -0.16 0.00 0.16 0.00 -1.12 -4.65 105.19 99.09 1ykm n GLY 20 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.62 0.15 -2.95 0.99 4.77 -0.94 -4.86 117.00 112.54 1ykm n LEU 21 Ca -0.01 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 1ykm n LEU 21 Cb 0.13 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1ykm n LEU 21 CO 0.11 0.04 0.03 0.00 -1.33 0.00 0.00 177.39 176.24 1ykm n ALA 22 N -0.66 0.48 -0.36 -1.18 0.00 -0.04 -4.97 120.51 113.78 1ykm n ALA 22 Ca 0.00 -2.36 0.10 0.00 0.00 0.00 0.00 53.44 51.17 1ykm n ALA 22 Cb 0.01 -1.07 0.27 0.00 0.00 0.00 0.00 19.45 18.67 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 3.38 0.85 -0.31 0.00 4.07 -1.74 -2.18 115.31 119.38 1ykm h LEU 23 Ca -0.02 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 1ykm h LEU 23 Cb 1.01 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 1ykm h LEU 23 CO 0.34 0.39 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.90 1ykm h GLU 24 N 0.88 0.63 0.00 1.13 4.81 -1.88 -1.90 114.58 118.25 1ykm h GLU 24 Ca 0.53 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1ykm h GLU 24 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1ykm h GLU 24 CO -0.32 0.83 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1ykm h ALA 25 N 0.78 1.00 -0.38 2.92 0.00 -1.83 -1.99 119.26 119.77 1ykm h ALA 25 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ykm h ALA 25 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ykm h ALA 25 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ykm n ALA 26 N -1.90 2.43 -1.61 0.00 0.00 -0.85 -4.95 120.51 113.63 1ykm n ALA 26 Ca 0.01 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 1ykm n ALA 26 Cb 0.22 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 1.46 1.40 3.84 0.00 0.00 -0.75 -4.97 105.19 106.17 1ykm n GLY 27 Ca 0.19 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.74 5.91 0.23 1.61 0.01 -0.74 -5.05 114.94 114.17 1ykm s ASN 28 Ca 0.00 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.98 1ykm s ASN 28 Cb 0.00 -1.71 -0.11 0.00 0.41 0.00 0.00 41.25 39.84 1ykm s ASN 28 CO 0.00 0.19 1.56 -2.16 -1.51 0.00 0.00 177.10 175.17 1ykm s PRO 29 N -2.34 4.20 0.63 -0.60 0.04 -1.26 -4.18 135.00 131.49 1ykm s PRO 29 Ca 0.31 2.43 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 1ykm s PRO 29 Cb -0.12 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1ykm s PRO 29 CO 0.23 -0.58 0.97 0.95 0.04 0.00 0.00 177.00 178.62 1ykm s THR 30 N 0.51 3.50 0.66 1.26 -4.23 -1.26 -4.94 115.64 111.13 1ykm s THR 30 Ca 0.66 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 1ykm s THR 30 Cb -0.45 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.07 1ykm s THR 30 CO 0.39 -0.48 0.90 -0.13 -0.54 0.00 0.00 174.62 174.76 1ykm s ARG 31 N -5.12 1.95 0.15 3.99 0.52 -1.26 -5.03 118.95 114.15 1ykm s ARG 31 Ca 0.56 -1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 54.26 1ykm s ARG 31 Cb -0.11 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.91 1ykm s ARG 31 CO 0.47 -1.19 1.80 -0.44 0.02 0.00 0.00 175.30 175.96 1ykm h ASP 32 N -0.22 0.51 -3.21 0.23 3.32 -2.07 -3.41 116.42 111.57 1ykm h ASP 32 Ca -0.34 -0.04 -0.65 0.00 0.02 0.00 0.00 57.03 56.03 1ykm h ASP 32 Cb 1.28 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.34 1ykm h ASP 32 CO 0.40 0.39 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.37 1ykm s GLN 33 N -6.07 2.61 0.10 3.56 -0.21 -1.26 -5.12 119.66 113.28 1ykm s GLN 33 Ca -0.13 -0.82 0.09 0.00 0.02 0.00 0.00 55.36 54.52 1ykm s GLN 33 Cb 0.11 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1ykm s GLN 33 CO 0.73 -0.28 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.19 1ykm s GLU 34 N 1.33 1.21 -0.47 2.91 0.41 -1.26 -5.11 118.70 117.72 1ykm s GLU 34 Ca 0.03 -1.19 -0.17 0.00 -0.41 0.00 0.00 54.97 53.22 1ykm s GLU 34 Cb -0.14 -1.52 0.05 0.00 -1.78 0.00 0.00 34.13 30.74 1ykm s GLU 34 CO -0.11 0.36 0.49 0.42 -0.49 0.00 0.00 175.26 175.93 1ykm s ILE 35 N -1.12 5.05 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.22 1ykm s ILE 35 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1ykm s ILE 35 Cb -0.10 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1ykm s ILE 35 CO 0.04 -0.61 0.00 1.87 0.00 0.00 0.00 174.94 176.25 1ykm n TRP 36 N 5.70 0.00 1.96 3.97 -0.00 -1.26 -4.51 117.44 123.30 1ykm n TRP 36 Ca -0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.47 1ykm n TRP 36 Cb 0.46 0.00 0.30 0.00 -0.00 0.00 0.00 31.31 32.07 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 0.00 0.07 -4.22 5.87 6.94 -0.73 -2.26 115.26 120.94 1ykm n ASN 37 Ca 0.00 -1.69 -0.42 0.00 -0.02 0.00 0.00 54.58 52.45 1ykm n ASN 37 Cb 0.00 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.99 3.15 0.12 -3.83 3.52 -1.26 -1.22 118.95 117.44 1ykm s ARG 38 Ca 0.16 -2.53 -0.04 0.00 -0.13 0.00 0.00 55.73 53.19 1ykm s ARG 38 Cb 0.07 -4.11 -0.12 0.00 -1.56 0.00 0.00 34.95 29.24 1ykm s ARG 38 CO 0.12 -1.24 1.28 -0.07 -0.81 0.00 0.00 175.30 174.59 1ykm h LEU 39 N 7.38 0.49 -8.53 -0.88 4.07 -1.43 -3.46 115.31 112.95 1ykm h LEU 39 Ca 0.06 -0.42 -0.67 0.00 0.08 0.00 0.00 57.88 56.93 1ykm h LEU 39 Cb 0.99 -0.15 -0.30 0.00 1.08 0.00 0.00 40.66 42.28 1ykm h LEU 39 CO 0.74 1.23 -0.88 0.00 -1.08 0.00 0.00 178.44 178.44 1ykm s ALA 40 N -3.17 2.05 0.23 1.53 0.00 -1.20 -0.83 121.76 120.36 1ykm s ALA 40 Ca -0.05 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1ykm s ALA 40 Cb 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1ykm s ALA 40 CO 0.87 0.47 0.59 0.15 0.00 0.00 0.00 175.76 177.84 1ykm s LYS 41 N -0.46 3.88 0.59 0.00 1.02 -0.27 -4.83 119.74 119.67 1ykm s LYS 41 Ca 0.06 0.40 0.35 0.00 0.02 0.00 0.00 55.97 56.79 1ykm s LYS 41 Cb -0.10 -2.66 1.27 0.00 -0.52 0.00 0.00 37.83 35.82 1ykm s LYS 41 CO 0.00 0.32 1.49 -1.35 -0.92 0.00 0.00 175.35 174.89 1ykm h PRO 42 N 2.69 0.00 -0.76 -1.68 0.11 -2.00 -1.54 132.00 128.81 1ykm h PRO 42 Ca -0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 1ykm h PRO 42 Cb 1.17 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 1ykm h PRO 42 CO 0.68 0.00 0.24 -0.40 -0.21 0.00 0.00 178.00 178.30 1ykm n ASP 43 N -3.57 4.79 -4.84 -2.05 5.75 -1.26 -4.97 116.55 110.40 1ykm n ASP 43 Ca 0.28 -3.12 -0.36 0.00 -0.01 0.00 0.00 54.79 51.58 1ykm n ASP 43 Cb 1.54 -0.73 -0.06 0.00 -1.03 0.00 0.00 41.12 40.84 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 -2.82 3.59 0.51 2.12 0.00 -0.58 -5.05 121.76 119.53 1ykm s ALA 44 Ca 0.52 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 1ykm s ALA 44 Cb 0.41 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.94 1ykm s ALA 44 CO 0.13 0.45 1.21 -1.25 0.00 0.00 0.00 175.76 176.30 1ykm s PRO 45 N -1.68 3.44 0.00 0.00 0.04 -1.26 -4.91 135.00 130.64 1ykm s PRO 45 Ca 0.34 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1ykm s PRO 45 Cb -0.16 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ykm s PRO 45 CO 0.19 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1ykm n GLY 46 N 0.49 0.90 3.61 0.56 0.00 -1.26 -4.58 105.19 104.91 1ykm n GLY 46 Ca 0.09 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.40 3.83 -0.10 1.61 2.12 -1.26 -4.96 118.70 118.54 1ykm s GLU 47 Ca 0.00 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 55.69 1ykm s GLU 47 Cb 0.00 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1ykm s GLU 47 CO 0.00 -1.08 1.28 -1.01 -0.54 0.00 0.00 175.26 173.91 1ykm s HIS 48 N 3.80 2.92 0.21 5.30 3.76 -1.26 -1.65 115.29 128.37 1ykm s HIS 48 Ca 0.42 1.01 0.09 0.00 -0.15 0.00 0.00 55.06 56.44 1ykm s HIS 48 Cb -0.11 -3.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.02 1ykm s HIS 48 CO 0.22 -1.76 -0.18 0.96 -0.85 0.00 0.00 174.74 173.13 1ykm s ILE 49 N 2.97 1.99 -0.22 0.60 -4.36 -0.13 -4.57 121.20 117.49 1ykm s ILE 49 Ca 0.57 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1ykm s ILE 49 Cb -0.24 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.44 1ykm s ILE 49 CO 0.19 -0.42 -0.10 -0.22 0.24 0.00 0.00 174.94 174.63 1ykm s LEU 50 N -3.09 2.79 -0.11 0.37 2.96 -0.39 -2.52 118.68 118.69 1ykm s LEU 50 Ca 0.22 -0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1ykm s LEU 50 Cb -0.04 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1ykm s LEU 50 CO 0.09 -0.06 0.09 -0.76 -1.32 0.00 0.00 176.35 174.39 1ykm s LEU 51 N 1.35 4.11 0.07 -0.68 1.43 -0.01 -1.76 118.68 123.19 1ykm s LEU 51 Ca 0.03 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.35 1ykm s LEU 51 Cb -0.15 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1ykm s LEU 51 CO -0.07 0.39 0.30 -1.48 0.23 0.00 0.00 176.35 175.73 1ykm s LEU 52 N -0.93 0.87 0.00 1.79 -0.00 -1.02 -1.05 118.68 118.34 1ykm s LEU 52 Ca 0.14 -0.31 0.00 0.00 -0.00 0.00 0.00 54.13 53.96 1ykm s LEU 52 Cb -0.12 1.41 0.00 0.00 -0.00 0.00 0.00 46.19 47.48 1ykm s LEU 52 CO 0.03 -0.70 0.00 0.61 -0.00 0.00 0.00 176.35 176.30 1ykm n GLY 53 N 0.26 0.11 3.39 -3.48 0.00 -1.15 -0.96 105.19 103.36 1ykm n GLY 53 Ca -0.17 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1ykm n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ykm s GLN 54 N -2.00 1.46 -0.14 1.61 -0.21 -1.26 -1.59 119.66 117.53 1ykm s GLN 54 Ca 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 55.36 53.72 1ykm s GLN 54 Cb 0.00 -1.29 -0.00 0.00 1.00 0.00 0.00 33.01 32.72 1ykm s GLN 54 CO 0.00 0.20 -0.17 0.08 -2.12 0.00 0.00 175.29 173.28 1ykm s VAL 55 N -2.86 2.54 0.11 1.09 1.01 -1.26 -1.93 120.40 119.10 1ykm s VAL 55 Ca 0.25 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1ykm s VAL 55 Cb -0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1ykm s VAL 55 CO 0.10 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.34 1ykm s TYR 56 N 0.68 2.78 0.16 5.22 1.51 -0.24 -0.93 117.35 126.53 1ykm s TYR 56 Ca -0.08 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 1ykm s TYR 56 Cb -0.16 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1ykm s TYR 56 CO 0.02 0.44 0.23 -0.40 -1.11 0.00 0.00 175.55 174.73 1ykm n ASP 57 N 0.62 0.57 0.30 2.29 5.68 -0.38 -2.09 116.55 123.54 1ykm n ASP 57 Ca -0.13 -1.42 0.19 0.00 -0.50 0.00 0.00 54.79 52.93 1ykm n ASP 57 Cb 0.52 -0.12 0.89 0.00 -1.14 0.00 0.00 41.12 41.27 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 0.01 0.00 -1.52 6.12 0.00 -1.89 -2.21 103.07 103.57 1ykm h GLY 58 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ykm h GLY 58 CO 0.11 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.35 1ykm n ASN 59 N -3.17 2.56 0.00 0.19 3.02 -1.26 -4.76 115.26 111.84 1ykm n ASN 59 Ca -0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 1ykm n ASN 59 Cb 0.21 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.32 0.43 3.92 7.41 0.00 -0.83 -5.05 105.19 112.38 1ykm n GLY 60 Ca 0.17 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 3.51 0.24 1.61 3.76 -1.26 -4.82 115.29 116.32 1ykm s HIS 61 Ca 0.00 0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 1ykm s HIS 61 Cb 0.00 -1.74 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 1ykm s HIS 61 CO 0.00 0.57 1.34 -0.51 -0.85 0.00 0.00 174.74 175.29 1ykm s LEU 62 N -2.66 4.42 -0.54 0.89 1.43 -1.26 -1.25 118.68 119.71 1ykm s LEU 62 Ca 0.35 2.52 -0.17 0.00 -1.03 0.00 0.00 54.13 55.79 1ykm s LEU 62 Cb -0.13 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.58 1ykm s LEU 62 CO 0.28 -0.56 0.55 -0.69 0.23 0.00 0.00 176.35 176.16 1ykm s VAL 63 N -0.18 5.07 -2.10 -1.59 1.01 -0.10 -4.90 120.40 117.60 1ykm s VAL 63 Ca 0.56 -1.16 0.15 0.00 0.00 0.00 0.00 61.98 61.52 1ykm s VAL 63 Cb -0.38 -4.34 0.38 0.00 0.00 0.00 0.00 36.38 32.04 1ykm s VAL 63 CO 0.42 -0.88 1.37 0.54 0.00 0.00 0.00 175.10 176.56 1ykm n ARG 64 N 5.65 1.86 -0.62 2.72 1.74 -1.26 -4.09 116.66 122.65 1ykm n ARG 64 Ca -0.12 -1.32 0.05 0.00 -0.77 0.00 0.00 57.85 55.70 1ykm n ARG 64 Cb 0.42 -1.34 0.10 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.56 1.37 -4.82 0.55 5.68 -1.24 -3.63 116.55 115.01 1ykm n ASP 65 Ca 0.14 -2.85 -0.33 0.00 -0.50 0.00 0.00 54.79 51.26 1ykm n ASP 65 Cb 0.34 -0.38 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 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 -2.38 6.60 -0.04 -1.12 1.04 -1.25 -4.53 113.70 112.02 1ykm s SER 66 Ca 0.27 1.69 0.01 0.00 0.48 0.00 0.00 55.95 58.40 1ykm s SER 66 Cb 0.27 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.88 1ykm s SER 66 CO -0.05 -0.60 -0.04 0.12 0.98 0.00 0.00 173.24 173.65 1ykm s PHE 67 N -2.37 0.71 0.05 5.02 5.36 0.84 -2.27 117.98 125.34 1ykm s PHE 67 Ca 0.62 -0.19 0.07 0.00 -0.96 0.00 0.00 56.93 56.47 1ykm s PHE 67 Cb -0.11 -0.64 -0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1ykm s PHE 67 CO 0.24 -0.18 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.11 1ykm s LEU 68 N 0.88 2.19 -0.07 6.12 1.02 0.64 -0.31 118.68 129.15 1ykm s LEU 68 Ca -0.12 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.52 1ykm s LEU 68 Cb -0.14 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.17 1ykm s LEU 68 CO 0.00 0.12 -0.16 -1.61 0.02 0.00 0.00 176.35 174.73 1ykm s GLU 69 N -1.30 2.10 0.07 1.70 2.02 -0.74 -1.32 118.70 121.23 1ykm s GLU 69 Ca 0.06 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.57 1ykm s GLU 69 Cb -0.09 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1ykm s GLU 69 CO 0.02 0.09 -0.16 0.14 0.02 0.00 0.00 175.26 175.37 1ykm s VAL 70 N 0.53 2.97 -0.08 2.63 -7.23 -0.48 -1.34 120.40 117.41 1ykm s VAL 70 Ca -0.15 -1.28 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1ykm s VAL 70 Cb -0.16 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1ykm s VAL 70 CO 0.05 0.22 0.08 0.86 -0.31 0.00 0.00 175.10 176.00 1ykm s TRP 71 N -1.05 0.07 0.10 2.82 -0.11 -0.24 -2.44 118.94 118.09 1ykm s TRP 71 Ca 0.17 0.14 -0.06 0.00 1.22 0.00 0.00 56.10 57.57 1ykm s TRP 71 Cb -0.11 -0.51 -0.02 0.00 -1.50 0.00 0.00 33.47 31.33 1ykm s TRP 71 CO 0.09 -0.29 0.14 1.14 -4.62 0.00 0.00 176.95 173.41 1ykm s GLN 72 N 2.18 0.87 0.63 5.86 -2.07 -0.67 -1.02 119.66 125.43 1ykm s GLN 72 Ca 0.04 -1.12 -0.04 0.00 -1.82 0.00 0.00 55.36 52.42 1ykm s GLN 72 Cb -0.13 0.31 0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1ykm s GLN 72 CO -0.05 -0.26 0.91 0.00 -1.32 0.00 0.00 175.29 174.57 1ykm s ALA 73 N -3.92 3.41 0.75 2.60 0.00 -1.26 -4.54 121.76 118.80 1ykm s ALA 73 Ca 0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1ykm s ALA 73 Cb 0.06 -2.44 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ykm s ALA 73 CO -0.07 -1.01 0.28 -0.40 0.00 0.00 0.00 175.76 174.56 1ykm n ASP 74 N -2.66 0.16 0.29 0.00 5.68 -0.57 -4.29 116.55 115.16 1ykm n ASP 74 Ca 0.07 -1.19 0.13 0.00 -0.50 0.00 0.00 54.79 53.30 1ykm n ASP 74 Cb 0.60 -0.20 0.84 0.00 -1.14 0.00 0.00 41.12 41.22 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 -1.26 1.61 -0.20 2.12 0.00 -1.81 0.36 119.26 120.08 1ykm h ALA 75 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ykm h ALA 75 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ykm h ALA 75 CO 0.08 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1ykm n ASN 76 N -3.99 2.13 -1.38 0.00 3.02 -1.26 -4.06 115.26 109.72 1ykm n ASN 76 Ca -0.03 -1.78 -0.08 0.00 -0.03 0.00 0.00 54.58 52.66 1ykm n ASN 76 Cb 0.10 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.39 3.16 7.41 0.00 -0.56 -4.86 105.19 111.96 1ykm n GLY 77 Ca 0.17 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.23 1.57 -0.38 1.61 2.02 -1.26 -4.68 118.70 112.34 1ykm s GLU 78 Ca 0.16 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 1ykm s GLU 78 Cb -0.07 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.72 1ykm s GLU 78 CO 0.20 0.33 0.83 0.71 0.02 0.00 0.00 175.26 177.34 1ykm s TYR 79 N -0.25 3.08 -0.82 1.61 1.51 -1.26 -1.52 117.35 119.70 1ykm s TYR 79 Ca 0.03 0.55 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 1ykm s TYR 79 Cb -0.09 -3.53 0.12 0.00 -0.11 0.00 0.00 41.96 38.36 1ykm s TYR 79 CO 0.00 -0.81 1.02 -0.65 -1.11 0.00 0.00 175.55 174.00 1ykm s GLN 80 N 3.25 3.42 0.26 -0.62 -1.52 -1.26 -4.89 119.66 118.31 1ykm s GLN 80 Ca 0.33 -1.54 0.13 0.00 -1.95 0.00 0.00 55.36 52.34 1ykm s GLN 80 Cb -0.13 -4.66 0.20 0.00 -0.22 0.00 0.00 33.01 28.21 1ykm s GLN 80 CO 0.19 -1.73 1.50 0.38 -0.25 0.00 0.00 175.29 175.38 1ykm h ASP 81 N 8.99 0.00 -1.60 5.90 2.03 -1.98 -3.29 116.42 126.46 1ykm h ASP 81 Ca -0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 1ykm h ASP 81 Cb 1.04 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.47 1ykm h ASP 81 CO 1.10 0.61 1.22 0.00 -1.03 0.00 0.00 179.24 181.14 1ykm s ALA 82 N -3.16 2.50 -0.02 4.15 0.00 -1.26 -4.97 121.76 119.00 1ykm s ALA 82 Ca 0.01 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1ykm s ALA 82 Cb 0.10 -4.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.77 1ykm s ALA 82 CO 0.75 -3.71 1.16 -0.47 0.00 0.00 0.00 175.76 173.49 1ykm s TYR 83 N 6.52 3.34 -0.21 0.00 5.04 -1.26 -5.00 117.35 125.78 1ykm s TYR 83 Ca 0.48 1.32 -0.18 0.00 -2.44 0.00 0.00 57.07 56.26 1ykm s TYR 83 Cb -0.05 -3.37 0.06 0.00 0.35 0.00 0.00 41.96 38.94 1ykm s TYR 83 CO 0.04 -1.08 0.56 1.21 -1.34 0.00 0.00 175.55 174.94 1ykm s ASN 84 N 1.28 -0.61 0.00 4.32 3.84 -1.26 -5.04 114.94 117.46 1ykm s ASN 84 Ca 0.56 1.14 0.25 0.00 0.21 0.00 0.00 52.86 55.01 1ykm s ASN 84 Cb -0.25 1.13 1.27 0.00 -0.55 0.00 0.00 41.25 42.85 1ykm s ASN 84 CO 0.24 -0.20 1.83 0.18 -2.79 0.00 0.00 177.10 176.37 1ykm n LEU 85 N 3.05 0.00 0.06 3.21 4.77 -1.26 -2.81 117.00 124.02 1ykm n LEU 85 Ca -0.15 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ykm n LEU 85 Cb 0.56 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1ykm n LEU 85 CO 0.07 -0.05 0.12 -0.62 -1.33 0.00 0.00 177.39 175.58 1ykm n GLU 86 N -1.26 0.40 -2.10 3.23 1.02 -1.26 -4.95 120.64 115.72 1ykm n GLU 86 Ca 0.12 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1ykm n GLU 86 Cb 0.19 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 29.93 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 -4.53 5.44 0.24 1.62 0.01 -1.12 -4.96 114.94 111.65 1ykm s ASN 87 Ca 0.03 2.23 0.04 0.00 -0.71 0.00 0.00 52.86 54.46 1ykm s ASN 87 Cb 0.12 -2.58 0.28 0.00 0.41 0.00 0.00 41.25 39.48 1ykm s ASN 87 CO 0.77 -1.41 1.58 0.00 -1.51 0.00 0.00 177.10 176.53 1ykm h ALA 88 N 0.93 0.88 -3.44 0.60 0.00 -1.92 -3.44 119.26 112.87 1ykm h ALA 88 Ca -0.50 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 53.70 1ykm h ALA 88 Cb 1.27 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1ykm h ALA 88 CO 0.56 0.70 -0.58 0.12 0.00 0.00 0.00 179.25 180.05 1ykm s PHE 89 N -3.85 -0.13 -0.06 0.00 5.36 -1.26 -1.11 117.98 116.93 1ykm s PHE 89 Ca -0.04 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 1ykm s PHE 89 Cb 0.12 0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1ykm s PHE 89 CO 0.80 -0.07 -0.18 -0.80 -1.46 0.00 0.00 175.22 173.51 1ykm s ASN 90 N 0.10 2.28 0.31 6.13 0.01 -0.01 -4.99 114.94 118.75 1ykm s ASN 90 Ca -0.00 -0.38 0.26 0.00 -0.71 0.00 0.00 52.86 52.02 1ykm s ASN 90 Cb -0.01 -0.76 0.88 0.00 0.41 0.00 0.00 41.25 41.77 1ykm s ASN 90 CO -0.00 0.14 1.76 0.28 -1.51 0.00 0.00 177.10 177.77 1ykm h SER 91 N 6.43 0.00 -3.47 -1.22 0.02 -1.80 -3.44 113.55 110.07 1ykm h SER 91 Ca -0.30 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.98 1ykm h SER 91 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 1ykm h SER 91 CO 0.48 0.00 -0.68 0.12 -1.14 0.00 0.00 176.83 175.60 1ykm s PHE 92 N -3.27 2.93 0.17 3.45 5.36 -1.26 -1.67 117.98 123.69 1ykm s PHE 92 Ca 0.07 -0.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.78 1ykm s PHE 92 Cb 0.10 -1.57 0.06 0.00 -0.34 0.00 0.00 43.02 41.27 1ykm s PHE 92 CO 0.53 0.43 0.60 0.20 -1.46 0.00 0.00 175.22 175.52 1ykm s GLY 93 N -1.83 -0.56 -0.01 13.12 0.00 -1.02 -4.82 107.32 112.19 1ykm s GLY 93 Ca 0.21 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1ykm s GLY 93 CO 0.12 0.12 -0.08 0.50 0.00 0.00 0.00 173.10 173.77 1ykm s ARG 94 N -3.77 0.73 0.11 2.90 0.52 -0.96 -1.38 118.95 117.11 1ykm s ARG 94 Ca 0.02 -0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 54.91 1ykm s ARG 94 Cb -0.01 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.73 1ykm s ARG 94 CO -0.11 0.14 0.13 -0.08 0.02 0.00 0.00 175.30 175.39 1ykm s THR 95 N -0.01 0.13 0.10 0.02 -1.32 -0.44 -1.77 115.64 112.35 1ykm s THR 95 Ca 0.00 -1.58 -0.13 0.00 -1.21 0.00 0.00 61.69 58.78 1ykm s THR 95 Cb -0.05 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.24 1ykm s THR 95 CO -0.00 -0.58 0.30 0.00 -2.21 0.00 0.00 174.62 172.13 1ykm s ALA 96 N -3.96 -0.61 -0.17 11.08 0.00 -1.26 -0.26 121.76 126.58 1ykm s ALA 96 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ykm s ALA 96 Cb 0.06 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1ykm s ALA 96 CO -0.04 -0.56 0.02 0.95 0.00 0.00 0.00 175.76 176.12 1ykm s THR 97 N -3.70 4.35 0.47 0.00 -4.23 -0.96 -4.28 115.64 107.29 1ykm s THR 97 Ca 0.03 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1ykm s THR 97 Cb 0.03 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1ykm s THR 97 CO -0.11 0.47 0.24 0.35 -0.54 0.00 0.00 174.62 175.03 1ykm n THR 98 N 3.60 0.00 0.12 3.99 -2.24 0.91 -3.73 114.28 116.93 1ykm n THR 98 Ca -0.17 -1.98 -0.01 0.00 -2.27 0.00 0.00 64.05 59.62 1ykm n THR 98 Cb 0.52 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.84 0.00 0.06 4.78 0.04 -1.94 -2.76 116.94 117.96 1ykm h PHE 99 Ca -0.33 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.23 1ykm h PHE 99 Cb 1.12 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.29 1ykm h PHE 99 CO 0.00 0.70 -0.88 -0.44 -0.60 0.00 0.00 178.31 177.09 1ykm h ASP 100 N 0.00 0.66 -3.15 2.17 3.32 -1.96 -3.41 116.42 114.05 1ykm h ASP 100 Ca -0.01 -0.82 -0.59 0.00 0.02 0.00 0.00 57.03 55.64 1ykm h ASP 100 Cb 1.41 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1ykm h ASP 100 CO 0.09 1.40 -0.76 0.00 -1.72 0.00 0.00 179.24 178.25 1ykm s ALA 101 N -2.99 1.56 -1.27 3.45 0.00 -1.23 -5.00 121.76 116.28 1ykm s ALA 101 Ca -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1ykm s ALA 101 Cb 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1ykm s ALA 101 CO 0.87 -1.81 0.52 0.41 0.00 0.00 0.00 175.76 175.75 1ykm n GLY 102 N 4.48 0.68 3.10 0.00 0.00 -1.04 -0.06 105.19 112.35 1ykm n GLY 102 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.27 1.92 0.22 1.61 2.12 -1.26 -4.59 118.70 117.46 1ykm s GLU 103 Ca 0.00 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.65 1ykm s GLU 103 Cb 0.00 -1.59 -0.07 0.00 0.26 0.00 0.00 34.13 32.72 1ykm s GLU 103 CO 0.00 0.15 0.57 1.67 -0.54 0.00 0.00 175.26 177.11 1ykm s TRP 104 N 0.33 3.45 0.10 5.30 1.48 -0.62 -4.71 118.94 124.27 1ykm s TRP 104 Ca -0.10 0.95 0.07 0.00 -1.06 0.00 0.00 56.10 55.96 1ykm s TRP 104 Cb -0.14 -2.32 -0.03 0.00 -1.16 0.00 0.00 33.47 29.82 1ykm s TRP 104 CO 0.04 0.28 -0.19 0.95 -4.06 0.00 0.00 176.95 173.97 1ykm s THR 105 N -1.77 1.52 -0.13 0.66 -4.23 -1.26 -2.94 115.64 107.50 1ykm s THR 105 Ca 0.46 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.40 1ykm s THR 105 Cb -0.12 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.35 1ykm s THR 105 CO 0.20 -0.13 0.32 -0.22 -0.54 0.00 0.00 174.62 174.26 1ykm s LEU 106 N -1.90 0.39 -0.27 4.79 2.96 -0.22 -4.83 118.68 119.60 1ykm s LEU 106 Ca 0.04 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1ykm s LEU 106 Cb -0.10 1.06 0.04 0.00 0.50 0.00 0.00 46.19 47.69 1ykm s LEU 106 CO 0.04 -0.15 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.87 1ykm s HIS 107 N 0.91 3.17 0.01 5.38 3.76 -0.35 -0.83 115.29 127.33 1ykm s HIS 107 Ca -0.06 -1.78 -0.00 0.00 -0.15 0.00 0.00 55.06 53.07 1ykm s HIS 107 Cb -0.07 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1ykm s HIS 107 CO -0.07 -0.78 0.01 -2.37 -0.85 0.00 0.00 174.74 170.68 1ykm n THR 108 N 4.62 0.00 -4.26 1.30 5.66 -1.05 -1.24 114.28 119.32 1ykm n THR 108 Ca -0.15 -0.03 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 1ykm n THR 108 Cb 0.45 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.58 3.33 -0.16 1.08 -7.23 -1.26 -0.95 120.40 112.63 1ykm s VAL 109 Ca 0.00 -1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1ykm s VAL 109 Cb -0.00 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1ykm s VAL 109 CO 0.00 -0.33 1.28 -0.75 -0.31 0.00 0.00 175.10 174.99 1ykm s LYS 110 N -3.71 4.23 0.66 4.82 2.20 -0.66 -4.84 119.74 122.44 1ykm s LYS 110 Ca 0.33 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.45 1ykm s LYS 110 Cb -0.05 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1ykm s LYS 110 CO 0.20 -0.71 1.22 -1.25 -0.36 0.00 0.00 175.35 174.46 1ykm s PRO 111 N 3.49 2.58 0.67 4.03 0.04 -1.26 -4.19 135.00 140.36 1ykm s PRO 111 Ca 0.56 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1ykm s PRO 111 Cb -0.22 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1ykm s PRO 111 CO 0.15 -1.51 0.95 0.20 0.04 0.00 0.00 177.00 176.83 1ykm s GLY 112 N -1.76 1.75 0.02 0.56 0.00 0.12 -4.73 107.32 103.28 1ykm s GLY 112 Ca 0.77 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 1ykm s GLY 112 CO 0.39 -0.76 1.17 0.14 0.00 0.00 0.00 173.10 174.05 1ykm s VAL 113 N -3.11 4.20 0.19 1.40 1.01 -1.26 -4.51 120.40 118.32 1ykm s VAL 113 Ca 0.60 1.57 0.11 0.00 0.00 0.00 0.00 61.98 64.27 1ykm s VAL 113 Cb -0.10 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ykm s VAL 113 CO 0.43 0.09 -0.24 0.68 0.00 0.00 0.00 175.10 176.06 1ykm s VAL 114 N 1.34 2.37 0.36 2.92 -7.23 -1.26 -4.54 120.40 114.36 1ykm s VAL 114 Ca 0.57 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1ykm s VAL 114 Cb -0.27 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1ykm s VAL 114 CO 0.27 -0.10 0.58 0.20 -0.31 0.00 0.00 175.10 175.75 1ykm s ASN 115 N -2.62 6.31 0.31 4.85 0.01 -1.26 -1.09 114.94 121.45 1ykm s ASN 115 Ca 0.20 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.91 1ykm s ASN 115 Cb -0.08 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1ykm s ASN 115 CO 0.10 -0.32 0.00 -0.46 -1.51 0.00 0.00 177.10 174.90 1ykm n ASN 116 N -1.74 0.00 0.05 -1.22 6.94 -0.21 -4.86 115.26 114.22 1ykm n ASN 116 Ca -0.04 -0.57 -0.01 0.00 -0.02 0.00 0.00 54.58 53.94 1ykm n ASN 116 Cb 0.56 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.24 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 -1.15 1.25 -0.01 -2.53 0.00 -2.00 -2.90 119.26 111.92 1ykm h ALA 117 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ykm h ALA 117 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ykm h ALA 117 CO 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.74 1ykm n ALA 118 N -2.48 2.63 -0.21 0.00 0.00 -1.26 -4.91 120.51 114.28 1ykm n ALA 118 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ykm n ALA 118 Cb 0.36 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.10 1.14 3.70 0.00 0.00 -1.09 -5.04 105.19 104.99 1ykm n GLY 119 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.69 4.48 0.33 1.61 1.01 -1.26 -4.70 120.40 119.18 1ykm s VAL 120 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 1ykm s VAL 120 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1ykm s VAL 120 CO 0.00 0.05 1.27 -2.16 0.00 0.00 0.00 175.10 174.26 1ykm s PRO 121 N 1.72 4.38 0.11 2.72 0.04 -1.26 -1.04 135.00 141.66 1ykm s PRO 121 Ca 0.54 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.73 1ykm s PRO 121 Cb -0.23 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1ykm s PRO 121 CO 0.23 -0.13 0.17 -1.64 0.04 0.00 0.00 177.00 175.67 1ykm s MET 122 N -1.76 3.14 0.62 4.56 -1.94 -0.25 -4.49 119.30 119.18 1ykm s MET 122 Ca 0.49 -0.65 -0.16 0.00 -1.71 0.00 0.00 55.69 53.66 1ykm s MET 122 Cb -0.38 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1ykm s MET 122 CO 0.50 0.55 1.11 0.00 -0.01 0.00 0.00 175.02 177.17 1ykm s ALA 123 N -1.57 2.57 -0.08 3.03 0.00 -1.26 -4.03 121.76 120.42 1ykm s ALA 123 Ca 0.32 0.61 -0.34 0.00 0.00 0.00 0.00 51.96 52.55 1ykm s ALA 123 Cb -0.12 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1ykm s ALA 123 CO 0.25 -1.07 1.91 -0.35 0.00 0.00 0.00 175.76 176.49 1ykm n PRO 124 N -2.05 2.24 -4.13 0.00 -0.04 -1.26 -4.86 135.00 124.90 1ykm n PRO 124 Ca 0.10 0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1ykm n PRO 124 Cb 0.52 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 1ykm n PRO 124 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ykm s HIS 125 N 4.26 0.74 -0.17 0.54 -3.43 -1.26 -4.29 115.29 111.67 1ykm s HIS 125 Ca 0.93 -0.89 0.01 0.00 -0.80 0.00 0.00 55.06 54.31 1ykm s HIS 125 Cb -0.66 -0.45 0.02 0.00 -1.43 0.00 0.00 32.58 30.06 1ykm s HIS 125 CO 0.50 -0.20 -0.17 0.42 -2.00 0.00 0.00 174.74 173.29 1ykm s ILE 126 N -3.33 1.83 -0.14 -5.38 1.01 -0.79 -4.59 121.20 109.82 1ykm s ILE 126 Ca 0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1ykm s ILE 126 Cb 0.03 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1ykm s ILE 126 CO -0.05 0.47 1.01 0.20 0.00 0.00 0.00 174.94 176.56 1ykm s ASN 127 N 1.37 7.20 0.03 3.58 0.01 -0.19 -1.03 114.94 125.92 1ykm s ASN 127 Ca 0.04 1.49 0.06 0.00 -0.71 0.00 0.00 52.86 53.74 1ykm s ASN 127 Cb -0.13 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 1ykm s ASN 127 CO -0.12 -0.50 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.18 1ykm s ILE 128 N 2.29 2.90 -0.14 0.60 1.01 -0.25 -1.08 121.20 126.53 1ykm s ILE 128 Ca 0.47 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1ykm s ILE 128 Cb -0.17 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1ykm s ILE 128 CO 0.15 0.38 -0.08 -0.44 0.00 0.00 0.00 174.94 174.94 1ykm s SER 129 N -1.34 2.57 -0.23 3.58 0.01 -0.45 -1.29 113.70 116.56 1ykm s SER 129 Ca 0.14 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 1ykm s SER 129 Cb -0.11 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.13 1ykm s SER 129 CO 0.05 -0.13 0.13 -0.22 0.41 0.00 0.00 173.24 173.48 1ykm s LEU 130 N 1.62 4.01 0.04 2.44 2.96 0.23 -1.79 118.68 128.20 1ykm s LEU 130 Ca 0.03 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1ykm s LEU 130 Cb -0.14 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1ykm s LEU 130 CO -0.08 0.09 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.47 1ykm s PHE 131 N 0.90 1.77 -0.04 5.38 0.40 0.58 -2.15 117.98 124.81 1ykm s PHE 131 Ca 0.07 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 1ykm s PHE 131 Cb -0.13 -1.06 0.13 0.00 0.51 0.00 0.00 43.02 42.46 1ykm s PHE 131 CO 0.03 0.08 1.34 0.00 0.70 0.00 0.00 175.22 177.37 1ykm s ALA 132 N -0.77 -2.35 0.27 5.36 0.00 -1.26 -0.11 121.76 122.89 1ykm s ALA 132 Ca 0.07 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1ykm s ALA 132 Cb -0.09 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.30 1ykm s ALA 132 CO 0.02 -1.06 1.24 -0.98 0.00 0.00 0.00 175.76 174.97 1ykm s ARG 133 N -2.26 4.45 0.00 0.00 1.70 -1.25 -2.23 118.95 119.36 1ykm s ARG 133 Ca 0.16 2.03 0.00 0.00 -0.47 0.00 0.00 55.73 57.45 1ykm s ARG 133 Cb 0.05 -3.15 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1ykm s ARG 133 CO -0.05 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.49 1ykm n GLY 134 N 1.48 2.75 3.31 3.88 0.00 -1.26 -4.99 105.19 110.36 1ykm n GLY 134 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.50 4.91 0.18 -0.61 1.01 -0.95 -4.96 121.20 118.29 1ykm s ILE 135 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.13 1ykm s ILE 135 Cb 0.00 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.48 1ykm s ILE 135 CO 0.00 -0.72 1.71 0.78 0.00 0.00 0.00 174.94 176.71 1ykm h ASN 136 N 8.71 0.93 -3.68 3.58 2.35 -1.91 -3.38 115.58 122.19 1ykm h ASN 136 Ca -0.27 -0.21 -0.39 0.00 -0.55 0.00 0.00 56.30 54.88 1ykm h ASN 136 Cb 1.10 -0.24 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 1ykm h ASN 136 CO 0.92 0.89 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.31 1ykm s ILE 137 N -5.41 0.58 0.53 2.81 2.07 -1.26 -3.32 121.20 117.21 1ykm s ILE 137 Ca -0.13 -0.22 -0.21 0.00 -1.41 0.00 0.00 60.65 58.69 1ykm s ILE 137 Cb 0.13 -0.55 -0.07 0.00 0.13 0.00 0.00 42.46 42.10 1ykm s ILE 137 CO 0.82 0.21 0.97 0.00 -1.91 0.00 0.00 174.94 175.03 1ykm n HIS 138 N 3.55 0.94 -3.65 3.50 1.44 -1.26 -5.00 115.22 114.73 1ykm n HIS 138 Ca -0.20 0.48 -0.36 0.00 -2.01 0.00 0.00 57.72 55.62 1ykm n HIS 138 Cb 0.53 -2.17 -0.09 0.00 0.12 0.00 0.00 29.99 28.38 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 -1.35 4.16 -0.24 2.39 1.43 -0.92 -4.90 118.68 119.26 1ykm s LEU 139 Ca 0.70 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 1ykm s LEU 139 Cb -0.47 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1ykm s LEU 139 CO 0.51 0.10 0.28 -1.00 0.23 0.00 0.00 176.35 176.47 1ykm s HIS 140 N 0.78 3.31 0.24 0.29 3.76 -1.26 -0.60 115.29 121.81 1ykm s HIS 140 Ca 0.09 0.37 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 1ykm s HIS 140 Cb -0.13 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 1ykm s HIS 140 CO 0.02 -0.03 0.18 -0.08 -0.85 0.00 0.00 174.74 173.98 1ykm s THR 141 N 1.39 0.00 0.06 1.30 -1.32 -0.41 0.82 115.64 117.47 1ykm s THR 141 Ca 0.12 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.66 1ykm s THR 141 Cb -0.15 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1ykm s THR 141 CO 0.07 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.19 1ykm s ARG 142 N -3.93 1.01 -0.20 7.08 0.52 -1.26 -1.09 118.95 121.07 1ykm s ARG 142 Ca 0.40 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1ykm s ARG 142 Cb 0.06 -1.08 -0.01 0.00 0.52 0.00 0.00 34.95 34.44 1ykm s ARG 142 CO 0.17 0.26 -0.04 -1.17 0.02 0.00 0.00 175.30 174.53 1ykm s LEU 143 N -1.41 2.95 0.30 2.53 0.20 -0.20 -4.76 118.68 118.30 1ykm s LEU 143 Ca 0.02 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 54.59 1ykm s LEU 143 Cb -0.09 -1.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1ykm s LEU 143 CO 0.02 0.02 0.03 -0.31 -0.29 0.00 0.00 176.35 175.82 1ykm s TYR 144 N 1.23 2.65 -0.09 5.38 1.51 0.17 -1.88 117.35 126.32 1ykm s TYR 144 Ca 0.03 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1ykm s TYR 144 Cb -0.14 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1ykm s TYR 144 CO -0.01 0.52 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.85 1ykm s PHE 145 N -2.41 3.05 0.21 2.71 0.40 -1.26 -0.33 117.98 120.35 1ykm s PHE 145 Ca 0.34 0.06 0.28 0.00 -0.60 0.00 0.00 56.93 57.01 1ykm s PHE 145 Cb -0.04 -1.78 1.20 0.00 0.51 0.00 0.00 43.02 42.92 1ykm s PHE 145 CO 0.20 0.35 1.94 0.38 0.70 0.00 0.00 175.22 178.79 1ykm h ASP 146 N 5.39 0.00 -0.27 1.36 2.03 -1.83 -2.99 116.42 120.11 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 0.14 0.00 -0.90 -1.03 0.00 0.00 179.24 178.00 1ykm n ASP 147 N -3.37 2.36 -1.44 4.15 5.68 -1.26 -3.69 116.55 118.97 1ykm n ASP 147 Ca -0.00 -2.21 -0.04 0.00 -0.50 0.00 0.00 54.79 52.04 1ykm n ASP 147 Cb 0.34 -0.41 0.10 0.00 -1.14 0.00 0.00 41.12 40.02 1ykm n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykm n GLU 148 N 0.32 1.92 -0.31 0.11 -0.58 -1.13 -4.90 120.64 116.07 1ykm n GLU 148 Ca 0.11 -3.36 0.23 0.00 -0.42 0.00 0.00 57.16 53.72 1ykm n GLU 148 Cb 0.47 -1.53 0.52 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 1.54 2.28 -0.34 0.62 0.00 -1.77 -0.03 119.26 121.56 1ykm h ALA 149 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1ykm h ALA 149 Cb 1.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ykm h ALA 149 CO 0.26 -0.66 -0.26 1.96 0.00 0.00 0.00 179.25 180.54 1ykm h GLN 150 N 0.37 0.78 -0.10 0.00 4.20 -1.93 -2.62 115.11 115.81 1ykm h GLN 150 Ca 0.57 -0.38 -0.21 0.00 0.06 0.00 0.00 58.65 58.68 1ykm h GLN 150 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1ykm h GLN 150 CO -0.25 1.01 -0.79 0.00 -0.67 0.00 0.00 178.83 178.13 1ykm h ALA 151 N 0.75 0.43 -0.08 3.87 0.00 -1.67 -3.22 119.26 119.35 1ykm h ALA 151 Ca 0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1ykm h ALA 151 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ykm h ALA 151 CO 0.07 0.73 -0.15 -0.91 0.00 0.00 0.00 179.25 178.99 1ykm h ASN 152 N 0.39 0.12 1.71 0.00 2.35 -1.05 -1.95 115.58 117.15 1ykm h ASN 152 Ca -0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ykm h ASN 152 Cb 1.39 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1ykm h ASN 152 CO 0.15 0.29 0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1ykm h ALA 153 N 1.73 1.00 0.00 -0.83 0.00 -1.48 -3.28 119.26 116.40 1ykm h ALA 153 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ykm h ALA 153 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ykm h ALA 153 CO 0.02 0.00 -1.79 1.63 0.00 0.00 0.00 179.25 179.12 1ykm n LYS 154 N -3.05 0.54 -1.67 0.00 4.76 -0.86 -4.95 118.16 112.93 1ykm n LYS 154 Ca 0.03 -0.15 -0.49 0.00 -2.87 0.00 0.00 58.31 54.82 1ykm n LYS 154 Cb 0.46 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 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 9.29 0.00 0.04 0.00 0.13 -1.93 -1.44 132.00 138.09 1ykm h PRO 156 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1ykm h PRO 156 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1ykm h PRO 156 CO 0.95 0.02 -0.68 0.28 -0.23 0.00 0.00 178.00 178.35 1ykm h VAL 157 N 0.00 1.41 0.00 1.56 2.07 -1.95 -3.28 116.25 116.06 1ykm h VAL 157 Ca -0.00 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 65.12 1ykm h VAL 157 Cb 0.20 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1ykm h VAL 157 CO 0.00 0.57 -0.24 0.25 0.02 0.00 0.00 177.57 178.18 1ykm h LEU 158 N -0.78 0.00 -0.27 2.57 5.85 -1.86 -2.20 115.31 118.62 1ykm h LEU 158 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ykm h LEU 158 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ykm h LEU 158 CO -0.01 0.24 -0.03 0.59 -0.34 0.00 0.00 178.44 178.88 1ykm n ASN 159 N -3.89 0.46 0.09 1.25 3.02 -0.56 -3.27 115.26 112.36 1ykm n ASN 159 Ca -0.02 -0.91 0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1ykm n ASN 159 Cb 0.32 -0.04 0.20 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.67 0.00 -8.84 3.41 3.38 -1.45 -3.43 115.31 109.04 1ykm h LEU 160 Ca 0.00 -0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 1ykm h LEU 160 Cb 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1ykm h LEU 160 CO 0.00 0.06 0.83 -0.63 0.09 0.00 0.00 178.44 178.78 1ykm s ILE 161 N -3.18 4.41 0.15 1.22 1.01 -1.20 -4.96 121.20 118.64 1ykm s ILE 161 Ca 0.06 1.43 -0.28 0.00 0.00 0.00 0.00 60.65 61.87 1ykm s ILE 161 Cb 0.12 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 1ykm s ILE 161 CO 0.70 -0.69 1.58 -0.33 0.00 0.00 0.00 174.94 176.19 1ykm h GLU 162 N 8.60 -0.37 -5.50 2.79 5.08 -1.90 -3.41 114.58 119.87 1ykm h GLU 162 Ca -0.22 0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.56 1ykm h GLU 162 Cb 1.06 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 1ykm h GLU 162 CO 1.06 -0.25 0.01 -0.65 -1.00 0.00 0.00 179.01 178.18 1ykm s GLN 163 N -5.87 4.15 0.53 2.33 -1.52 -1.26 -4.97 119.66 113.05 1ykm s GLN 163 Ca -0.15 0.42 0.34 0.00 -1.95 0.00 0.00 55.36 54.02 1ykm s GLN 163 Cb 0.11 -3.60 1.84 0.00 -0.22 0.00 0.00 33.01 31.14 1ykm s GLN 163 CO 0.65 -0.24 2.03 -1.00 -0.25 0.00 0.00 175.29 176.48 1ykm h PRO 164 N 7.66 0.00 -0.05 2.91 0.13 -1.98 -2.49 132.00 138.18 1ykm h PRO 164 Ca -0.31 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 1ykm h PRO 164 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ykm h PRO 164 CO 0.74 0.00 -0.70 1.96 -0.23 0.00 0.00 178.00 179.77 1ykm h GLN 165 N 0.00 0.23 0.00 0.86 7.50 -1.96 -3.13 115.11 118.61 1ykm h GLN 165 Ca 0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 1ykm h GLN 165 Cb 0.11 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 1ykm h GLN 165 CO 0.00 0.84 -0.05 0.00 -1.50 0.00 0.00 178.83 178.12 1ykm h ARG 166 N 0.16 0.00 -0.09 1.46 3.08 -1.84 -3.23 114.38 113.91 1ykm h ARG 166 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1ykm h ARG 166 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1ykm h ARG 166 CO 0.11 0.05 -0.41 0.00 -1.07 0.00 0.00 179.97 178.64 1ykm h ARG 167 N 0.00 0.20 0.00 0.04 3.08 -1.60 -3.01 114.38 113.08 1ykm h ARG 167 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ykm h ARG 167 Cb 0.95 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ykm h ARG 167 CO 0.01 0.58 0.00 0.93 -1.07 0.00 0.00 179.97 180.42 1ykm h GLU 168 N 0.17 0.00 0.00 0.04 5.08 -1.65 -2.44 114.58 115.78 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 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ykm h GLU 168 CO 0.06 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.86 1ykm h THR 169 N 0.00 0.00 -0.01 1.13 1.35 -1.71 -2.96 112.91 110.71 1ykm h THR 169 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1ykm h THR 169 Cb 0.31 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1ykm h THR 169 CO 0.00 0.00 -0.34 0.18 -0.25 0.00 0.00 175.52 175.11 1ykm n LEU 170 N -2.63 1.66 -4.57 3.87 4.77 -0.92 -4.83 117.00 114.35 1ykm n LEU 170 Ca 0.03 -0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 55.05 1ykm n LEU 170 Cb 0.39 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1ykm n LEU 170 CO 0.28 0.30 0.07 -0.63 -1.33 0.00 0.00 177.39 176.09 1ykm s ILE 171 N -2.44 5.15 0.04 -0.08 1.01 -1.12 -0.65 121.20 123.11 1ykm s ILE 171 Ca 0.22 0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1ykm s ILE 171 Cb 0.19 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1ykm s ILE 171 CO 0.53 -0.00 0.89 0.00 0.00 0.00 0.00 174.94 176.35 1ykm s ALA 172 N 2.09 3.25 -0.03 9.38 0.00 0.54 -4.90 121.76 132.09 1ykm s ALA 172 Ca 0.14 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1ykm s ALA 172 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1ykm s ALA 172 CO 0.11 -0.08 0.94 0.15 0.00 0.00 0.00 175.76 176.88 1ykm s LYS 173 N 0.43 4.51 0.14 0.00 1.02 -0.75 -2.47 119.74 122.62 1ykm s LYS 173 Ca 0.46 1.33 -0.30 0.00 0.02 0.00 0.00 55.97 57.48 1ykm s LYS 173 Cb -0.21 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 1ykm s LYS 173 CO 0.26 -0.09 1.01 0.50 -0.92 0.00 0.00 175.35 176.11 1ykm s ARG 174 N 1.19 4.66 0.30 1.68 3.52 -1.26 -0.51 118.95 128.53 1ykm s ARG 174 Ca 0.49 1.55 -0.03 0.00 -0.13 0.00 0.00 55.73 57.61 1ykm s ARG 174 Cb -0.20 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1ykm s ARG 174 CO 0.24 0.17 0.44 0.00 -0.81 0.00 0.00 175.30 175.35 1ykm s GLU 176 N -2.58 1.29 -0.31 0.00 2.02 -1.26 -1.65 118.70 116.21 1ykm s GLU 176 Ca 0.23 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.01 1ykm s GLU 176 Cb -0.01 -1.29 0.07 0.00 0.10 0.00 0.00 34.13 33.00 1ykm s GLU 176 CO 0.16 -0.15 0.00 0.08 0.02 0.00 0.00 175.26 175.37 1ykm s VAL 177 N 1.29 2.57 -1.53 2.63 1.01 -0.95 -4.77 120.40 120.66 1ykm s VAL 177 Ca -0.04 -1.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.09 1ykm s VAL 177 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1ykm s VAL 177 CO -0.03 -0.28 0.73 0.47 0.00 0.00 0.00 175.10 175.99 1ykm n ASP 178 N 4.46 -6.22 -0.00 3.32 8.00 -1.26 -2.66 116.55 122.18 1ykm n ASP 178 Ca -0.08 -0.34 -0.00 0.00 0.71 0.00 0.00 54.79 55.08 1ykm n ASP 178 Cb 0.42 -5.00 -0.00 0.00 -0.02 0.00 0.00 41.12 36.52 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 -1.63 0.43 3.40 0.44 0.00 -1.26 -5.04 105.19 101.52 1ykm n GLY 179 Ca -0.09 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.18 2.43 0.08 1.61 2.47 -1.09 -5.10 119.74 118.96 1ykm s LYS 180 Ca 0.00 -0.79 -0.31 0.00 -1.56 0.00 0.00 55.97 53.31 1ykm s LYS 180 Cb 0.00 -2.26 -0.08 0.00 -1.46 0.00 0.00 37.83 34.03 1ykm s LYS 180 CO 0.00 0.55 1.51 0.99 0.16 0.00 0.00 175.35 178.56 1ykm s THR 181 N -0.57 3.20 0.11 3.43 2.01 -1.26 -2.24 115.64 120.31 1ykm s THR 181 Ca 0.08 0.74 0.02 0.00 0.31 0.00 0.00 61.69 62.85 1ykm s THR 181 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1ykm s THR 181 CO 0.01 0.02 -0.07 0.00 -0.69 0.00 0.00 174.62 173.89 1ykm s ALA 182 N 1.94 1.08 -0.03 7.40 0.00 -0.66 -1.26 121.76 130.23 1ykm s ALA 182 Ca 0.68 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ykm s ALA 182 Cb -0.38 0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1ykm s ALA 182 CO 0.30 -0.20 0.01 0.71 0.00 0.00 0.00 175.76 176.58 1ykm s TYR 183 N -3.49 0.26 -0.20 0.00 1.51 -0.72 -1.61 117.35 113.10 1ykm s TYR 183 Ca 0.12 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1ykm s TYR 183 Cb 0.04 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.47 1ykm s TYR 183 CO -0.03 -0.12 0.18 0.50 -1.11 0.00 0.00 175.55 174.97 1ykm s ARG 184 N 1.00 4.18 -0.29 -0.62 3.52 0.33 -2.43 118.95 124.64 1ykm s ARG 184 Ca -0.10 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1ykm s ARG 184 Cb -0.13 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.90 1ykm s ARG 184 CO -0.02 0.23 0.08 0.12 -0.81 0.00 0.00 175.30 174.90 1ykm s PHE 185 N 0.55 1.78 -0.17 5.12 5.36 -0.14 -1.82 117.98 128.66 1ykm s PHE 185 Ca 0.10 -1.70 -0.15 0.00 -0.96 0.00 0.00 56.93 54.22 1ykm s PHE 185 Cb -0.12 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.83 1ykm s PHE 185 CO 0.01 -0.84 0.35 -0.51 -1.46 0.00 0.00 175.22 172.76 1ykm s ASP 186 N 1.59 6.47 -0.22 6.13 1.01 -1.26 -4.00 116.67 126.39 1ykm s ASP 186 Ca 0.08 0.55 -0.09 0.00 0.71 0.00 0.00 52.55 53.79 1ykm s ASP 186 Cb -0.17 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1ykm s ASP 186 CO -0.21 0.03 0.11 -0.63 0.21 0.00 0.00 175.17 174.69 1ykm s ILE 187 N 0.74 5.06 -0.29 0.77 1.01 -0.81 -4.98 121.20 122.70 1ykm s ILE 187 Ca 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 1ykm s ILE 187 Cb -0.14 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.06 1ykm s ILE 187 CO 0.06 0.40 -0.02 -0.13 0.00 0.00 0.00 174.94 175.25 1ykm s ARG 188 N 0.78 2.34 0.20 2.79 0.52 -1.26 -1.08 118.95 123.23 1ykm s ARG 188 Ca 0.06 -1.32 -0.06 0.00 -0.52 0.00 0.00 55.73 53.88 1ykm s ARG 188 Cb -0.13 -3.12 0.14 0.00 0.52 0.00 0.00 34.95 32.37 1ykm s ARG 188 CO 0.02 -0.63 1.63 0.82 0.02 0.00 0.00 175.30 177.16 1ykm h ILE 189 N 6.55 1.27 -3.18 1.52 2.04 -1.72 -0.26 117.51 123.72 1ykm h ILE 189 Ca -0.20 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.25 1ykm h ILE 189 Cb 1.05 1.07 -0.22 0.00 -0.74 0.00 0.00 36.82 37.99 1ykm h ILE 189 CO 0.52 0.44 -0.37 -1.58 0.00 0.00 0.00 178.15 177.15 1ykm s GLN 190 N -4.75 0.51 0.00 2.37 0.74 -1.26 -4.78 119.66 112.50 1ykm s GLN 190 Ca -0.10 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.22 1ykm s GLN 190 Cb 0.13 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.47 1ykm s GLN 190 CO 0.84 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 1ykm n GLY 191 N 1.81 0.97 3.68 2.59 0.00 -1.26 -3.93 105.19 109.04 1ykm n GLY 191 Ca -0.19 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.56 1.61 2.12 -1.26 -3.05 118.70 121.84 1ykm s GLU 192 Ca 0.00 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.19 1ykm s GLU 192 Cb 0.00 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1ykm s GLU 192 CO 0.00 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 1ykm n GLY 193 N 3.60 0.38 3.67 -1.50 0.00 -1.26 -4.96 105.19 105.12 1ykm n GLY 193 Ca 0.13 -0.69 -0.50 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.03 1.86 -2.01 1.61 2.13 -1.17 -4.69 120.64 116.34 1ykm n GLU 194 Ca -0.07 0.68 -0.41 0.00 0.66 0.00 0.00 57.16 58.02 1ykm n GLU 194 Cb 0.43 -2.44 -0.01 0.00 0.27 0.00 0.00 31.44 29.68 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 2.42 2.50 0.06 6.31 2.01 -0.11 -4.96 115.64 123.88 1ykm s THR 195 Ca 0.88 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 63.07 1ykm s THR 195 Cb -0.79 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1ykm s THR 195 CO 0.49 0.12 1.28 -0.69 -0.69 0.00 0.00 174.62 175.12 1ykm s VAL 196 N -1.05 3.79 -0.01 3.82 1.01 -1.26 -4.94 120.40 121.77 1ykm s VAL 196 Ca 0.51 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.82 1ykm s VAL 196 Cb -0.42 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ykm s VAL 196 CO 0.55 0.08 -0.19 -0.36 0.00 0.00 0.00 175.10 175.19 1ykm s PHE 197 N 1.27 2.54 0.29 5.22 0.08 -1.26 -4.68 117.98 121.45 1ykm s PHE 197 Ca 0.61 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 57.45 1ykm s PHE 197 Cb -0.32 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1ykm s PHE 197 CO 0.29 0.15 0.30 -0.06 -0.10 0.00 0.00 175.22 175.80 1ykm s PHE 198 N -0.77 3.09 -0.04 0.36 0.08 0.24 -4.98 117.98 115.96 1ykm s PHE 198 Ca 0.12 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1ykm s PHE 198 Cb -0.10 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1ykm s PHE 198 CO 0.02 0.31 -0.03 0.34 -0.10 0.00 0.00 175.22 175.76 1ykm s ASP 199 N -3.97 0.86 0.00 1.36 3.68 -1.26 -4.23 116.67 113.10 1ykm s ASP 199 Ca 0.38 -0.11 0.00 0.00 2.13 0.00 0.00 52.55 54.95 1ykm s ASP 199 Cb -0.08 -0.40 0.00 0.00 -1.45 0.00 0.00 42.92 40.99 1ykm s ASP 199 CO 0.27 -0.07 0.00 2.22 0.13 0.00 0.00 175.17 177.72