#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 4.66 -0.14 4.25 -1.09 -1.26 -5.03 121.20 122.60 1ykm s ILE 2 Ca 0.00 2.00 -0.01 0.00 -2.23 0.00 0.00 60.65 60.41 1ykm s ILE 2 Cb 0.00 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1ykm s ILE 2 CO 0.00 -0.16 -0.12 -1.61 -1.23 0.00 0.00 174.94 171.82 1ykm s GLU 3 N 3.10 3.39 0.68 2.79 0.41 -1.26 -5.12 118.70 122.69 1ykm s GLU 3 Ca 0.45 -0.68 0.04 0.00 -0.41 0.00 0.00 54.97 54.37 1ykm s GLU 3 Cb -0.16 -2.67 0.12 0.00 -1.78 0.00 0.00 34.13 29.64 1ykm s GLU 3 CO 0.08 0.17 0.94 -0.51 -0.49 0.00 0.00 175.26 175.44 1ykm s LEU 4 N 0.47 2.98 0.30 1.80 1.02 -1.26 -5.06 118.68 118.93 1ykm s LEU 4 Ca -0.09 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.10 1ykm s LEU 4 Cb -0.16 -1.64 -0.10 0.00 0.02 0.00 0.00 46.19 44.31 1ykm s LEU 4 CO 0.04 -1.74 1.35 -0.76 0.02 0.00 0.00 176.35 175.26 1ykm s LEU 5 N -4.98 4.41 0.36 1.79 1.43 -1.26 -4.97 118.68 115.46 1ykm s LEU 5 Ca 0.66 2.67 -0.26 0.00 -1.03 0.00 0.00 54.13 56.17 1ykm s LEU 5 Cb -0.05 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 1ykm s LEU 5 CO 0.43 -0.59 1.05 -2.84 0.23 0.00 0.00 176.35 174.62 1ykm s PRO 6 N -1.28 4.33 0.39 1.29 0.02 -1.26 -5.01 135.00 133.49 1ykm s PRO 6 Ca 0.53 1.56 -0.26 0.00 0.02 0.00 0.00 61.00 62.85 1ykm s PRO 6 Cb -0.40 -2.73 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 1ykm s PRO 6 CO 0.49 -0.01 1.24 -2.00 -0.33 0.00 0.00 177.00 176.40 1ykm s GLU 7 N -2.18 4.05 0.12 5.54 2.12 -1.26 -4.94 118.70 122.15 1ykm s GLU 7 Ca 0.54 2.01 -0.32 0.00 0.36 0.00 0.00 54.97 57.56 1ykm s GLU 7 Cb -0.24 -2.76 -0.11 0.00 0.26 0.00 0.00 34.13 31.27 1ykm s GLU 7 CO 0.30 -0.37 1.81 2.41 -0.54 0.00 0.00 175.26 178.87 1ykm n THR 8 N 0.19 0.33 -1.79 -1.70 -1.04 -1.26 -4.93 114.28 104.08 1ykm n THR 8 Ca 0.03 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 1ykm n THR 8 Cb 0.45 -2.04 0.04 0.00 -1.82 0.00 0.00 70.33 66.95 1ykm n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykm s PRO 9 N 2.57 3.26 0.46 -2.82 0.02 -1.26 -5.02 135.00 132.21 1ykm s PRO 9 Ca 0.82 2.27 -0.14 0.00 0.02 0.00 0.00 61.00 63.98 1ykm s PRO 9 Cb -0.52 -2.34 -0.07 0.00 0.02 0.00 0.00 34.50 31.59 1ykm s PRO 9 CO 0.38 -1.11 0.87 0.45 -0.33 0.00 0.00 177.00 177.27 1ykm s SER 10 N -0.86 6.58 0.05 2.53 0.15 -1.26 -5.10 113.70 115.80 1ykm s SER 10 Ca 0.69 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.69 1ykm s SER 10 Cb -0.41 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 1ykm s SER 10 CO 0.50 -0.48 -0.03 -1.10 1.20 0.00 0.00 173.24 173.32 1ykm s GLN 11 N -3.92 0.58 0.58 5.44 -1.52 -1.20 -4.90 119.66 114.73 1ykm s GLN 11 Ca 0.55 -1.16 -0.21 0.00 -1.95 0.00 0.00 55.36 52.60 1ykm s GLN 11 Cb -0.10 0.20 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 1ykm s GLN 11 CO 0.31 -0.11 1.35 -0.08 -0.25 0.00 0.00 175.29 176.51 1ykm s THR 12 N -3.68 2.03 0.32 -0.19 -1.32 -1.21 -4.76 115.64 106.83 1ykm s THR 12 Ca 0.05 0.02 0.22 0.00 -1.21 0.00 0.00 61.69 60.78 1ykm s THR 12 Cb 0.06 -3.01 0.22 0.00 -1.51 0.00 0.00 72.50 68.26 1ykm s THR 12 CO -0.09 -0.00 1.93 0.00 -2.21 0.00 0.00 174.62 174.25 1ykm h ALA 13 N 1.18 1.22 0.00 11.08 0.00 -1.75 -3.49 119.26 127.50 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 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ykm h ALA 13 CO 0.56 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1ykm n GLY 14 N -0.37 -0.48 0.22 0.00 0.00 -1.26 -4.31 105.19 98.99 1ykm n GLY 14 Ca -0.01 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.37 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 0.05 -1.14 1.61 0.13 -1.92 -3.17 132.00 127.56 1ykm h PRO 15 Ca 0.00 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.45 1ykm h PRO 15 Cb 0.00 -0.01 -0.32 0.00 0.13 0.00 0.00 31.00 30.80 1ykm h PRO 15 CO 0.00 0.27 0.52 0.66 -0.23 0.00 0.00 178.00 179.22 1ykm n TYR 16 N -4.26 3.12 0.28 1.56 4.01 -1.26 -4.62 117.16 115.98 1ykm n TYR 16 Ca -0.02 -2.78 0.16 0.00 -0.16 0.00 0.00 57.90 55.10 1ykm n TYR 16 Cb 0.29 -1.14 0.78 0.00 -0.31 0.00 0.00 39.34 38.96 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 1.45 0.31 0.00 -0.72 3.04 -1.74 -2.89 116.25 115.71 1ykm h VAL 17 Ca 0.54 -0.49 -0.05 0.00 -1.01 0.00 0.00 66.70 65.69 1ykm h VAL 17 Cb 0.83 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1ykm h VAL 17 CO 1.38 0.08 -0.26 0.45 -1.01 0.00 0.00 177.57 178.21 1ykm h HIS 18 N 0.00 0.00 0.00 3.17 3.86 -1.86 -2.53 115.15 117.78 1ykm h HIS 18 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ykm h HIS 18 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1ykm h HIS 18 CO 0.00 0.26 0.00 -0.84 0.86 0.00 0.00 177.93 178.21 1ykm h ILE 19 N 0.00 0.00 0.00 2.45 3.07 -1.75 -1.50 117.51 119.78 1ykm h ILE 19 Ca -0.00 -0.46 -0.04 0.00 1.55 0.00 0.00 64.86 65.90 1ykm h ILE 19 Cb 0.66 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 1ykm h ILE 19 CO 0.03 0.00 -1.39 0.61 -1.05 0.00 0.00 178.15 176.36 1ykm n GLY 20 N 0.06 -0.34 0.00 0.16 0.00 -1.16 -4.68 105.19 99.22 1ykm n GLY 20 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.93 0.26 -2.91 0.99 4.77 -0.96 -4.84 117.00 112.37 1ykm n LEU 21 Ca -0.05 -0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 55.17 1ykm n LEU 21 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1ykm n LEU 21 CO 0.15 0.06 0.08 0.00 -1.33 0.00 0.00 177.39 176.35 1ykm n ALA 22 N -0.74 0.22 -0.36 -1.18 0.00 -0.59 -4.97 120.51 112.89 1ykm n ALA 22 Ca 0.00 -2.20 0.10 0.00 0.00 0.00 0.00 53.44 51.34 1ykm n ALA 22 Cb 0.00 -1.09 0.29 0.00 0.00 0.00 0.00 19.45 18.64 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 3.37 0.85 -0.42 0.00 4.07 -1.76 -2.06 115.31 119.36 1ykm h LEU 23 Ca -0.04 0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.87 1ykm h LEU 23 Cb 1.02 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1ykm h LEU 23 CO 0.31 0.38 -0.23 -0.08 -1.08 0.00 0.00 178.44 177.74 1ykm h GLU 24 N 0.87 0.90 0.00 1.13 4.81 -1.87 -2.26 114.58 118.16 1ykm h GLU 24 Ca 0.54 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ykm h GLU 24 Cb 0.71 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ykm h GLU 24 CO -0.33 1.06 0.00 0.00 -0.73 0.00 0.00 179.01 179.01 1ykm h ALA 25 N 0.82 1.00 -0.13 2.92 0.00 -1.80 -2.53 119.26 119.55 1ykm h ALA 25 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ykm h ALA 25 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ykm h ALA 25 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1ykm n ALA 26 N -2.06 2.51 -2.66 0.00 0.00 -0.81 -4.95 120.51 112.53 1ykm n ALA 26 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 1ykm n ALA 26 Cb 0.30 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 1.24 -0.35 3.47 0.00 0.00 -0.95 -4.97 105.19 103.62 1ykm n GLY 27 Ca 0.17 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.51 3.70 0.22 1.61 0.01 -0.88 -5.07 114.94 112.03 1ykm s ASN 28 Ca 0.15 -0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 51.25 1ykm s ASN 28 Cb -0.07 -0.41 -0.10 0.00 0.41 0.00 0.00 41.25 41.08 1ykm s ASN 28 CO 0.18 0.13 1.48 -2.16 -1.51 0.00 0.00 177.10 175.22 1ykm s PRO 29 N -2.62 4.25 0.57 -0.60 0.04 -1.26 -4.25 135.00 131.12 1ykm s PRO 29 Ca 0.21 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1ykm s PRO 29 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1ykm s PRO 29 CO 0.11 -0.48 0.87 0.95 0.04 0.00 0.00 177.00 178.49 1ykm s THR 30 N 0.38 3.83 0.61 1.26 -4.23 -1.26 -4.94 115.64 111.28 1ykm s THR 30 Ca 0.63 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1ykm s THR 30 Cb -0.42 -3.50 0.06 0.00 1.34 0.00 0.00 72.50 69.98 1ykm s THR 30 CO 0.39 -0.51 0.86 -0.13 -0.54 0.00 0.00 174.62 174.70 1ykm s ARG 31 N -4.93 2.25 0.19 3.99 0.52 -1.26 -5.02 118.95 114.69 1ykm s ARG 31 Ca 0.53 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1ykm s ARG 31 Cb -0.10 -2.42 0.19 0.00 0.52 0.00 0.00 34.95 33.14 1ykm s ARG 31 CO 0.45 -0.98 1.74 -0.44 0.02 0.00 0.00 175.30 176.08 1ykm h ASP 32 N -0.16 0.13 -3.16 0.23 3.32 -2.07 -3.40 116.42 111.31 1ykm h ASP 32 Ca -0.40 0.07 -0.66 0.00 0.02 0.00 0.00 57.03 56.06 1ykm h ASP 32 Cb 1.29 0.07 -0.35 0.00 0.22 0.00 0.00 39.33 40.56 1ykm h ASP 32 CO 0.49 0.10 -0.85 -1.10 -1.72 0.00 0.00 179.24 176.16 1ykm s GLN 33 N -6.13 2.76 0.18 3.56 -0.21 -1.26 -5.12 119.66 113.44 1ykm s GLN 33 Ca -0.13 -0.83 0.11 0.00 0.02 0.00 0.00 55.36 54.52 1ykm s GLN 33 Cb 0.15 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1ykm s GLN 33 CO 0.73 -0.26 -0.23 -1.21 -2.12 0.00 0.00 175.29 172.21 1ykm s GLU 34 N 1.31 1.44 -0.46 2.91 0.41 -1.26 -5.11 118.70 117.93 1ykm s GLU 34 Ca 0.03 -1.47 -0.16 0.00 -0.41 0.00 0.00 54.97 52.96 1ykm s GLU 34 Cb -0.14 -1.70 0.06 0.00 -1.78 0.00 0.00 34.13 30.57 1ykm s GLU 34 CO -0.12 0.37 0.40 0.42 -0.49 0.00 0.00 175.26 175.84 1ykm s ILE 35 N -1.72 5.20 0.00 -1.63 1.01 -1.26 -5.04 121.20 117.76 1ykm s ILE 35 Ca 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1ykm s ILE 35 Cb -0.08 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1ykm s ILE 35 CO 0.09 -0.54 0.00 1.87 0.00 0.00 0.00 174.94 176.35 1ykm n TRP 36 N 5.30 0.00 1.89 3.97 -0.00 -1.26 -4.55 117.44 122.79 1ykm n TRP 36 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.43 1ykm n TRP 36 Cb 0.45 0.00 0.23 0.00 -0.00 0.00 0.00 31.31 31.98 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 0.20 -4.16 5.87 6.94 -0.75 -2.30 115.26 121.06 1ykm n ASN 37 Ca 0.00 -1.78 -0.39 0.00 -0.02 0.00 0.00 54.58 52.39 1ykm n ASN 37 Cb 0.00 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.96 3.11 0.17 -3.83 3.52 -1.26 -1.28 118.95 117.41 1ykm s ARG 38 Ca 0.13 -2.80 -0.03 0.00 -0.13 0.00 0.00 55.73 52.91 1ykm s ARG 38 Cb 0.06 -4.00 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1ykm s ARG 38 CO 0.10 -1.23 1.42 -0.07 -0.81 0.00 0.00 175.30 174.71 1ykm h LEU 39 N 6.84 0.52 -8.53 -0.88 4.07 -1.48 -3.45 115.31 112.41 1ykm h LEU 39 Ca 0.08 -0.35 -0.69 0.00 0.08 0.00 0.00 57.88 57.00 1ykm h LEU 39 Cb 0.92 -0.16 -0.30 0.00 1.08 0.00 0.00 40.66 42.20 1ykm h LEU 39 CO 0.78 1.09 -0.86 0.00 -1.08 0.00 0.00 178.44 178.37 1ykm s ALA 40 N -3.62 2.25 0.37 1.53 0.00 -1.19 -0.84 121.76 120.26 1ykm s ALA 40 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 1ykm s ALA 40 Cb 0.10 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 1ykm s ALA 40 CO 0.85 0.41 0.72 0.15 0.00 0.00 0.00 175.76 177.88 1ykm s LYS 41 N -0.14 3.79 0.55 0.00 1.02 -0.07 -4.80 119.74 120.10 1ykm s LYS 41 Ca -0.04 0.42 0.39 0.00 0.02 0.00 0.00 55.97 56.77 1ykm s LYS 41 Cb -0.14 -2.45 1.56 0.00 -0.52 0.00 0.00 37.83 36.28 1ykm s LYS 41 CO 0.04 0.05 1.72 -1.35 -0.92 0.00 0.00 175.35 174.89 1ykm h PRO 42 N 1.54 0.00 -0.46 -1.68 0.11 -2.01 -1.21 132.00 128.31 1ykm h PRO 42 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ykm h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ykm h PRO 42 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1ykm n ASP 43 N -4.03 2.42 -4.74 -2.05 5.75 -1.26 -4.94 116.55 107.70 1ykm n ASP 43 Ca 0.29 -2.04 -0.40 0.00 -0.01 0.00 0.00 54.79 52.63 1ykm n ASP 43 Cb 1.43 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 41.16 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 -1.46 3.32 0.44 2.12 0.00 -0.46 -5.03 121.76 120.69 1ykm s ALA 44 Ca 0.29 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1ykm s ALA 44 Cb 0.16 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1ykm s ALA 44 CO 0.19 0.05 1.26 -1.25 0.00 0.00 0.00 175.76 176.01 1ykm s PRO 45 N -0.73 3.82 0.00 0.00 0.04 -1.26 -4.90 135.00 131.97 1ykm s PRO 45 Ca 0.44 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1ykm s PRO 45 Cb -0.26 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1ykm s PRO 45 CO 0.32 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1ykm n GLY 46 N 0.62 1.18 3.60 0.56 0.00 -1.26 -4.60 105.19 105.29 1ykm n GLY 46 Ca 0.05 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.27 3.81 -0.14 1.61 2.12 -1.26 -4.97 118.70 118.59 1ykm s GLU 47 Ca 0.00 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 1ykm s GLU 47 Cb 0.00 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1ykm s GLU 47 CO 0.00 -0.89 1.31 -1.01 -0.54 0.00 0.00 175.26 174.13 1ykm s HIS 48 N 3.29 2.75 0.17 5.30 3.76 -1.26 -1.90 115.29 127.40 1ykm s HIS 48 Ca 0.35 0.91 0.08 0.00 -0.15 0.00 0.00 55.06 56.25 1ykm s HIS 48 Cb -0.13 -3.56 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 1ykm s HIS 48 CO 0.18 -1.97 -0.18 0.96 -0.85 0.00 0.00 174.74 172.88 1ykm s ILE 49 N 3.48 1.81 -0.14 0.60 -4.36 -0.09 -4.49 121.20 118.01 1ykm s ILE 49 Ca 0.57 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.98 1ykm s ILE 49 Cb -0.23 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 1ykm s ILE 49 CO 0.17 -0.36 -0.09 -0.22 0.24 0.00 0.00 174.94 174.68 1ykm s LEU 50 N -2.78 2.95 -0.11 0.37 2.96 -0.26 -2.00 118.68 119.81 1ykm s LEU 50 Ca 0.17 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1ykm s LEU 50 Cb -0.05 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1ykm s LEU 50 CO 0.07 0.18 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.38 1ykm s LEU 51 N 0.28 2.68 0.04 -0.68 1.43 0.69 -1.43 118.68 121.69 1ykm s LEU 51 Ca -0.07 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1ykm s LEU 51 Cb -0.15 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1ykm s LEU 51 CO 0.04 0.21 0.08 -1.48 0.23 0.00 0.00 176.35 175.43 1ykm s LEU 52 N 0.06 1.91 -0.06 1.79 -0.00 -0.81 -0.22 118.68 121.35 1ykm s LEU 52 Ca -0.06 -0.61 -0.31 0.00 -0.00 0.00 0.00 54.13 53.15 1ykm s LEU 52 Cb -0.15 0.54 0.13 0.00 -0.00 0.00 0.00 46.19 46.72 1ykm s LEU 52 CO 0.05 -0.52 1.37 -0.83 -0.00 0.00 0.00 176.35 176.41 1ykm s GLY 53 N -2.24 -0.44 0.20 -3.48 0.00 -1.09 -0.73 107.32 99.54 1ykm s GLY 53 Ca -0.03 0.77 0.09 0.00 0.00 0.00 0.00 44.72 45.55 1ykm s GLY 53 CO -0.06 0.70 -0.18 1.20 0.00 0.00 0.00 173.10 174.77 1ykm s GLN 54 N -2.19 1.37 -0.14 2.90 -0.21 -1.25 -1.72 119.66 118.42 1ykm s GLN 54 Ca 0.16 -1.53 0.02 0.00 0.02 0.00 0.00 55.36 54.02 1ykm s GLN 54 Cb 0.06 -1.36 -0.00 0.00 1.00 0.00 0.00 33.01 32.70 1ykm s GLN 54 CO -0.05 0.26 -0.18 0.08 -2.12 0.00 0.00 175.29 173.27 1ykm s VAL 55 N -2.40 2.44 0.06 1.09 1.01 -1.26 -1.27 120.40 120.06 1ykm s VAL 55 Ca 0.21 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1ykm s VAL 55 Cb -0.04 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1ykm s VAL 55 CO 0.08 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.24 1ykm s TYR 56 N 0.65 2.59 0.21 5.22 1.51 0.16 -0.62 117.35 127.07 1ykm s TYR 56 Ca -0.09 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1ykm s TYR 56 Cb -0.16 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1ykm s TYR 56 CO 0.02 0.30 0.29 -0.40 -1.11 0.00 0.00 175.55 174.65 1ykm n ASP 57 N 1.34 0.41 0.07 2.29 5.68 -0.49 -1.58 116.55 124.28 1ykm n ASP 57 Ca -0.16 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 52.88 1ykm n ASP 57 Cb 0.52 -0.18 0.39 0.00 -1.14 0.00 0.00 41.12 40.71 1ykm n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykm n GLY 58 N 2.79 -1.05 0.67 6.12 0.00 -1.26 -2.19 105.19 110.27 1ykm n GLY 58 Ca 0.05 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1ykm n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykm n ASN 59 N -1.89 2.39 0.00 1.61 3.02 -1.26 -4.71 115.26 114.40 1ykm n ASN 59 Ca 0.02 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1ykm n ASN 59 Cb 0.16 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.36 0.69 3.90 7.41 0.00 -0.93 -5.07 105.19 112.56 1ykm n GLY 60 Ca 0.11 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1ykm n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykm s HIS 61 N -2.00 3.52 0.30 1.61 3.76 -1.26 -4.83 115.29 116.39 1ykm s HIS 61 Ca 0.00 0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 1ykm s HIS 61 Cb 0.00 -1.91 -0.10 0.00 1.11 0.00 0.00 32.58 31.68 1ykm s HIS 61 CO 0.00 0.55 1.40 -0.51 -0.85 0.00 0.00 174.74 175.33 1ykm s LEU 62 N -2.30 4.39 -0.53 0.89 1.43 -1.26 -1.40 118.68 119.90 1ykm s LEU 62 Ca 0.34 2.73 -0.16 0.00 -1.03 0.00 0.00 54.13 56.01 1ykm s LEU 62 Cb -0.13 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.56 1ykm s LEU 62 CO 0.23 -0.66 0.51 -0.69 0.23 0.00 0.00 176.35 175.97 1ykm s VAL 63 N -0.59 5.14 -1.44 -1.59 1.01 0.21 -4.87 120.40 118.27 1ykm s VAL 63 Ca 0.54 -1.29 0.12 0.00 0.00 0.00 0.00 61.98 61.36 1ykm s VAL 63 Cb -0.42 -4.32 0.45 0.00 0.00 0.00 0.00 36.38 32.10 1ykm s VAL 63 CO 0.50 -0.84 1.32 0.54 0.00 0.00 0.00 175.10 176.61 1ykm n ARG 64 N 5.44 2.60 -0.38 2.72 1.74 -1.26 -4.15 116.66 123.38 1ykm n ARG 64 Ca -0.13 -1.79 0.04 0.00 -0.77 0.00 0.00 57.85 55.20 1ykm n ARG 64 Cb 0.41 -1.60 0.05 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.69 0.86 -4.82 0.55 5.68 -1.22 -3.43 116.55 114.86 1ykm n ASP 65 Ca 0.16 -2.40 -0.33 0.00 -0.50 0.00 0.00 54.79 51.72 1ykm n ASP 65 Cb 0.57 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.22 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 -1.71 6.49 -0.06 -1.12 1.04 -1.24 -4.57 113.70 112.54 1ykm s SER 66 Ca 0.12 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.32 1ykm s SER 66 Cb 0.11 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.71 1ykm s SER 66 CO 0.01 -0.68 -0.11 0.12 0.98 0.00 0.00 173.24 173.56 1ykm s PHE 67 N -2.30 1.32 -0.02 5.02 5.36 0.15 -2.32 117.98 125.20 1ykm s PHE 67 Ca 0.63 -0.45 0.05 0.00 -0.96 0.00 0.00 56.93 56.20 1ykm s PHE 67 Cb -0.12 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.57 1ykm s PHE 67 CO 0.24 -0.24 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.08 1ykm s LEU 68 N 0.60 2.01 -0.11 6.12 1.02 -0.09 -0.26 118.68 127.97 1ykm s LEU 68 Ca -0.12 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.74 1ykm s LEU 68 Cb -0.15 -0.92 0.00 0.00 0.02 0.00 0.00 46.19 45.15 1ykm s LEU 68 CO 0.03 0.20 -0.23 -1.61 0.02 0.00 0.00 176.35 174.76 1ykm s GLU 69 N -0.33 3.02 0.08 1.70 2.02 -0.47 -1.21 118.70 123.52 1ykm s GLU 69 Ca 0.05 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1ykm s GLU 69 Cb -0.08 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1ykm s GLU 69 CO -0.00 0.14 -0.14 0.14 0.02 0.00 0.00 175.26 175.42 1ykm s VAL 70 N 0.44 3.10 -0.08 2.63 -7.23 -0.45 -0.90 120.40 117.90 1ykm s VAL 70 Ca -0.17 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1ykm s VAL 70 Cb -0.17 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1ykm s VAL 70 CO 0.07 0.19 0.10 0.86 -0.31 0.00 0.00 175.10 176.00 1ykm s TRP 71 N -1.11 0.01 0.08 2.82 -0.11 0.05 -2.45 118.94 118.24 1ykm s TRP 71 Ca 0.18 0.23 -0.05 0.00 1.22 0.00 0.00 56.10 57.69 1ykm s TRP 71 Cb -0.11 -0.46 -0.02 0.00 -1.50 0.00 0.00 33.47 31.38 1ykm s TRP 71 CO 0.10 -0.29 0.09 1.14 -4.62 0.00 0.00 176.95 173.37 1ykm s GLN 72 N 2.20 0.77 0.62 5.86 -2.07 -0.64 -1.24 119.66 125.15 1ykm s GLN 72 Ca 0.04 -1.13 -0.06 0.00 -1.82 0.00 0.00 55.36 52.39 1ykm s GLN 72 Cb -0.13 0.28 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1ykm s GLN 72 CO -0.05 -0.21 0.92 0.00 -1.32 0.00 0.00 175.29 174.63 1ykm s ALA 73 N -3.91 3.29 0.92 2.60 0.00 -1.26 -4.54 121.76 118.86 1ykm s ALA 73 Ca 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1ykm s ALA 73 Cb 0.06 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.64 1ykm s ALA 73 CO -0.09 -0.92 0.24 -0.40 0.00 0.00 0.00 175.76 174.59 1ykm n ASP 74 N -2.66 0.05 0.29 0.00 5.68 0.07 -4.36 116.55 115.62 1ykm n ASP 74 Ca 0.06 -1.11 0.15 0.00 -0.50 0.00 0.00 54.79 53.39 1ykm n ASP 74 Cb 0.58 -0.18 0.86 0.00 -1.14 0.00 0.00 41.12 41.24 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 -1.75 1.31 0.00 2.12 0.00 -1.81 0.34 119.26 119.46 1ykm h ALA 75 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ykm h ALA 75 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ykm h ALA 75 CO 0.06 0.07 -0.56 0.09 0.00 0.00 0.00 179.25 178.91 1ykm n ASN 76 N -3.60 0.59 -0.01 0.00 3.02 -1.26 -4.03 115.26 109.97 1ykm n ASN 76 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1ykm n ASN 76 Cb 0.17 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 1.40 1.30 3.41 7.41 0.00 -0.72 -4.75 105.19 113.24 1ykm n GLY 77 Ca 0.04 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.23 2.53 -0.31 1.61 2.02 -1.26 -4.73 118.70 116.32 1ykm s GLU 78 Ca 0.00 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.02 1ykm s GLU 78 Cb 0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1ykm s GLU 78 CO 0.00 0.54 0.64 0.71 0.02 0.00 0.00 175.26 177.17 1ykm s TYR 79 N -0.52 3.20 -0.75 1.61 1.51 -1.26 -0.75 117.35 120.40 1ykm s TYR 79 Ca 0.07 0.56 -0.17 0.00 -1.01 0.00 0.00 57.07 56.52 1ykm s TYR 79 Cb -0.11 -3.03 0.15 0.00 -0.11 0.00 0.00 41.96 38.86 1ykm s TYR 79 CO 0.01 -0.50 0.81 -0.65 -1.11 0.00 0.00 175.55 174.11 1ykm s GLN 80 N 2.65 3.36 0.23 -0.62 -1.52 -1.26 -4.91 119.66 117.59 1ykm s GLN 80 Ca 0.26 -1.84 0.10 0.00 -1.95 0.00 0.00 55.36 51.93 1ykm s GLN 80 Cb -0.15 -4.48 0.20 0.00 -0.22 0.00 0.00 33.01 28.37 1ykm s GLN 80 CO 0.12 -1.50 1.52 0.38 -0.25 0.00 0.00 175.29 175.56 1ykm h ASP 81 N 8.61 0.00 -1.00 5.90 2.03 -1.98 -3.27 116.42 126.71 1ykm h ASP 81 Ca -0.05 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 55.84 1ykm h ASP 81 Cb 1.06 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 1ykm h ASP 81 CO 0.98 0.71 1.02 0.00 -1.03 0.00 0.00 179.24 180.93 1ykm s ALA 82 N -3.34 2.05 -0.00 4.15 0.00 -1.26 -4.95 121.76 118.41 1ykm s ALA 82 Ca -0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 1ykm s ALA 82 Cb 0.12 -4.52 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 1ykm s ALA 82 CO 0.78 -4.33 1.21 -0.47 0.00 0.00 0.00 175.76 172.94 1ykm s TYR 83 N 8.33 3.28 -0.19 0.00 5.04 -1.26 -5.00 117.35 127.54 1ykm s TYR 83 Ca 0.61 1.23 -0.20 0.00 -2.44 0.00 0.00 57.07 56.27 1ykm s TYR 83 Cb -0.05 -3.43 0.06 0.00 0.35 0.00 0.00 41.96 38.88 1ykm s TYR 83 CO -0.01 -1.36 0.57 1.21 -1.34 0.00 0.00 175.55 174.62 1ykm s ASN 84 N 1.33 -0.58 0.00 4.32 3.84 -1.26 -5.05 114.94 117.54 1ykm s ASN 84 Ca 0.58 1.07 0.31 0.00 0.21 0.00 0.00 52.86 55.02 1ykm s ASN 84 Cb -0.27 1.08 1.61 0.00 -0.55 0.00 0.00 41.25 43.12 1ykm s ASN 84 CO 0.25 -0.24 2.08 0.18 -2.79 0.00 0.00 177.10 176.58 1ykm n LEU 85 N 2.55 0.13 0.09 3.21 4.77 -1.26 -3.11 117.00 123.39 1ykm n LEU 85 Ca -0.14 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1ykm n LEU 85 Cb 0.56 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1ykm n LEU 85 CO 0.10 0.02 0.18 -0.33 -1.33 0.00 0.00 177.39 176.03 1ykm h GLU 86 N 0.18 0.00 -7.01 3.23 5.08 -2.00 -3.47 114.58 110.59 1ykm h GLU 86 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1ykm h GLU 86 Cb 0.19 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.51 1ykm h GLU 86 CO 0.00 0.00 0.49 -0.80 -1.00 0.00 0.00 179.01 177.70 1ykm s ASN 87 N -4.85 6.07 0.23 1.42 0.01 -1.18 -4.95 114.94 111.68 1ykm s ASN 87 Ca 0.03 2.33 -0.02 0.00 -0.71 0.00 0.00 52.86 54.49 1ykm s ASN 87 Cb 0.11 -2.60 0.24 0.00 0.41 0.00 0.00 41.25 39.40 1ykm s ASN 87 CO 0.76 -0.99 1.62 0.00 -1.51 0.00 0.00 177.10 176.98 1ykm h ALA 88 N 1.94 0.90 -3.72 0.60 0.00 -1.91 -3.44 119.26 113.62 1ykm h ALA 88 Ca -0.49 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 53.73 1ykm h ALA 88 Cb 1.25 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 1ykm h ALA 88 CO 0.60 0.63 -0.73 0.12 0.00 0.00 0.00 179.25 179.86 1ykm s PHE 89 N -4.38 0.19 -0.06 0.00 5.36 -1.26 -0.89 117.98 116.93 1ykm s PHE 89 Ca -0.08 -0.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1ykm s PHE 89 Cb 0.13 -0.17 -0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1ykm s PHE 89 CO 0.82 -0.03 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.55 1ykm s ASN 90 N 0.23 2.49 0.35 6.13 0.01 -0.02 -4.99 114.94 119.14 1ykm s ASN 90 Ca -0.02 -0.42 0.27 0.00 -0.71 0.00 0.00 52.86 51.98 1ykm s ASN 90 Cb -0.04 -0.84 0.92 0.00 0.41 0.00 0.00 41.25 41.70 1ykm s ASN 90 CO -0.01 0.16 1.78 0.28 -1.51 0.00 0.00 177.10 177.80 1ykm h SER 91 N 6.39 0.00 -3.57 -1.22 0.02 -1.80 -3.44 113.55 109.94 1ykm h SER 91 Ca -0.30 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.98 1ykm h SER 91 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 1ykm h SER 91 CO 0.47 0.00 -0.69 0.12 -1.14 0.00 0.00 176.83 175.59 1ykm s PHE 92 N -3.33 2.91 0.19 3.45 5.36 -1.26 -1.62 117.98 123.68 1ykm s PHE 92 Ca 0.06 -0.02 -0.19 0.00 -0.96 0.00 0.00 56.93 55.81 1ykm s PHE 92 Cb 0.09 -1.61 0.04 0.00 -0.34 0.00 0.00 43.02 41.20 1ykm s PHE 92 CO 0.53 0.39 0.56 0.20 -1.46 0.00 0.00 175.22 175.44 1ykm s GLY 93 N -1.47 -0.24 0.01 13.12 0.00 -1.03 -4.82 107.32 112.90 1ykm s GLY 93 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1ykm s GLY 93 CO 0.08 -0.13 -0.06 0.50 0.00 0.00 0.00 173.10 173.49 1ykm s ARG 94 N -3.84 0.48 0.23 2.90 0.52 -0.97 -1.34 118.95 116.92 1ykm s ARG 94 Ca 0.07 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.79 1ykm s ARG 94 Cb -0.02 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.06 1ykm s ARG 94 CO -0.05 0.09 0.33 -0.08 0.02 0.00 0.00 175.30 175.61 1ykm s THR 95 N -0.63 0.00 0.19 0.02 -1.32 -0.35 -1.81 115.64 111.75 1ykm s THR 95 Ca -0.03 -1.67 -0.20 0.00 -1.21 0.00 0.00 61.69 58.58 1ykm s THR 95 Cb -0.05 -2.35 0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1ykm s THR 95 CO 0.00 0.00 0.57 0.00 -2.21 0.00 0.00 174.62 172.98 1ykm s ALA 96 N -4.03 -1.20 -0.17 11.08 0.00 -1.26 -0.91 121.76 125.26 1ykm s ALA 96 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1ykm s ALA 96 Cb 0.03 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1ykm s ALA 96 CO 0.11 -0.81 -0.09 0.95 0.00 0.00 0.00 175.76 175.92 1ykm s THR 97 N -3.83 3.21 0.56 0.00 -4.23 -0.98 -4.20 115.64 106.16 1ykm s THR 97 Ca 0.06 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1ykm s THR 97 Cb -0.01 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.47 1ykm s THR 97 CO -0.06 0.48 0.41 0.42 -0.54 0.00 0.00 174.62 175.33 1ykm s THR 98 N 0.90 1.55 0.07 3.99 -4.23 0.40 -3.43 115.64 114.88 1ykm s THR 98 Ca -0.02 -1.50 0.21 0.00 -1.18 0.00 0.00 61.69 59.20 1ykm s THR 98 Cb -0.15 -2.05 0.18 0.00 1.34 0.00 0.00 72.50 71.82 1ykm s THR 98 CO 0.00 0.00 1.72 -0.26 -0.54 0.00 0.00 174.62 175.55 1ykm h PHE 99 N 0.72 0.00 0.06 3.99 0.04 -1.94 -3.01 116.94 116.80 1ykm h PHE 99 Ca -0.36 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.28 1ykm h PHE 99 Cb 1.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1ykm h PHE 99 CO 1.04 0.31 -0.62 -0.44 -0.60 0.00 0.00 178.31 178.00 1ykm h ASP 100 N 0.00 0.20 -4.05 2.17 3.32 -1.96 -3.41 116.42 112.69 1ykm h ASP 100 Ca -0.00 -0.90 -0.65 0.00 0.02 0.00 0.00 57.03 55.49 1ykm h ASP 100 Cb 0.91 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 40.00 1ykm h ASP 100 CO 0.04 1.27 -0.65 0.00 -1.72 0.00 0.00 179.24 178.19 1ykm s ALA 101 N -2.34 3.15 -1.84 3.45 0.00 -1.22 -4.97 121.76 117.99 1ykm s ALA 101 Ca -0.19 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 48.83 1ykm s ALA 101 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1ykm s ALA 101 CO 0.73 -1.88 0.72 0.41 0.00 0.00 0.00 175.76 175.74 1ykm n GLY 102 N 3.65 -0.47 2.99 0.00 0.00 -1.14 -0.46 105.19 109.77 1ykm n GLY 102 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 1.49 0.36 1.61 2.12 -1.26 -4.63 118.70 116.55 1ykm s GLU 103 Ca 0.00 -0.34 -0.13 0.00 0.36 0.00 0.00 54.97 54.87 1ykm s GLU 103 Cb 0.00 -1.28 -0.08 0.00 0.26 0.00 0.00 34.13 33.04 1ykm s GLU 103 CO 0.00 -0.01 0.75 1.67 -0.54 0.00 0.00 175.26 177.13 1ykm s TRP 104 N 0.76 3.42 0.05 5.30 1.48 -0.70 -4.80 118.94 124.44 1ykm s TRP 104 Ca -0.13 1.13 0.04 0.00 -1.06 0.00 0.00 56.10 56.08 1ykm s TRP 104 Cb -0.15 -2.49 -0.02 0.00 -1.16 0.00 0.00 33.47 29.64 1ykm s TRP 104 CO 0.02 0.01 -0.12 0.95 -4.06 0.00 0.00 176.95 173.75 1ykm s THR 105 N -2.16 0.96 -0.09 0.66 -4.23 -1.26 -2.66 115.64 106.86 1ykm s THR 105 Ca 0.53 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1ykm s THR 105 Cb -0.10 -0.92 0.05 0.00 1.34 0.00 0.00 72.50 72.86 1ykm s THR 105 CO 0.24 -0.18 0.20 -0.22 -0.54 0.00 0.00 174.62 174.12 1ykm s LEU 106 N -1.46 0.41 -0.31 4.79 2.96 0.69 -4.84 118.68 120.91 1ykm s LEU 106 Ca -0.03 0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1ykm s LEU 106 Cb -0.09 0.53 0.01 0.00 0.50 0.00 0.00 46.19 47.14 1ykm s LEU 106 CO 0.01 -0.18 0.11 -1.00 -1.32 0.00 0.00 176.35 173.97 1ykm s HIS 107 N 1.46 3.18 0.00 5.38 3.76 -0.40 -0.22 115.29 128.44 1ykm s HIS 107 Ca -0.07 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.83 1ykm s HIS 107 Cb -0.11 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1ykm s HIS 107 CO -0.07 -0.60 0.00 -2.37 -0.85 0.00 0.00 174.74 170.85 1ykm n THR 108 N 4.88 0.00 -4.37 1.30 5.66 -0.85 -1.34 114.28 119.57 1ykm n THR 108 Ca -0.14 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.60 1ykm n THR 108 Cb 0.47 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.55 2.79 -0.02 1.08 -7.23 -1.26 -0.91 120.40 112.29 1ykm s VAL 109 Ca 0.00 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 1ykm s VAL 109 Cb 0.00 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1ykm s VAL 109 CO 0.00 -0.17 1.49 -0.75 -0.31 0.00 0.00 175.10 175.36 1ykm s LYS 110 N -2.91 4.24 0.71 4.82 2.20 -0.80 -4.88 119.74 123.12 1ykm s LYS 110 Ca 0.24 2.04 -0.14 0.00 -0.36 0.00 0.00 55.97 57.75 1ykm s LYS 110 Cb -0.08 -3.71 0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1ykm s LYS 110 CO 0.13 -0.68 1.15 -1.25 -0.36 0.00 0.00 175.35 174.34 1ykm s PRO 111 N 2.99 2.36 0.63 4.03 0.04 -1.26 -4.22 135.00 139.57 1ykm s PRO 111 Ca 0.67 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1ykm s PRO 111 Cb -0.32 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1ykm s PRO 111 CO 0.27 -1.62 0.89 0.20 0.04 0.00 0.00 177.00 176.77 1ykm s GLY 112 N -2.39 1.78 0.10 0.56 0.00 0.03 -4.76 107.32 102.65 1ykm s GLY 112 Ca 0.70 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 1ykm s GLY 112 CO 0.45 -0.92 1.10 0.14 0.00 0.00 0.00 173.10 173.87 1ykm s VAL 113 N -2.98 4.14 0.13 1.40 1.01 -1.26 -4.56 120.40 118.28 1ykm s VAL 113 Ca 0.60 1.68 0.11 0.00 0.00 0.00 0.00 61.98 64.36 1ykm s VAL 113 Cb -0.09 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ykm s VAL 113 CO 0.41 0.21 -0.27 0.68 0.00 0.00 0.00 175.10 176.14 1ykm s VAL 114 N 0.41 2.22 0.24 2.92 -7.23 -1.25 -4.57 120.40 113.14 1ykm s VAL 114 Ca 0.53 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 1ykm s VAL 114 Cb -0.27 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 1ykm s VAL 114 CO 0.31 0.09 0.51 0.20 -0.31 0.00 0.00 175.10 175.91 1ykm s ASN 115 N -2.02 6.50 0.76 4.85 -0.87 -1.26 -0.96 114.94 121.95 1ykm s ASN 115 Ca 0.13 0.74 0.00 0.00 -1.57 0.00 0.00 52.86 52.16 1ykm s ASN 115 Cb -0.10 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1ykm s ASN 115 CO 0.06 -0.11 0.00 -0.46 -2.57 0.00 0.00 177.10 174.02 1ykm n ASN 116 N -0.51 0.00 0.15 -1.22 6.94 -0.70 -4.90 115.26 115.03 1ykm n ASN 116 Ca -0.01 -0.94 0.04 0.00 -0.02 0.00 0.00 54.58 53.64 1ykm n ASN 116 Cb 0.53 0.00 0.44 0.00 -2.36 0.00 0.00 39.78 38.39 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 -1.55 1.60 -0.00 -2.53 0.00 -2.00 -2.76 119.26 112.02 1ykm h ALA 117 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ykm h ALA 117 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ykm h ALA 117 CO 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.40 1ykm n ALA 118 N -2.50 2.83 -0.47 0.00 0.00 -1.26 -4.93 120.51 114.19 1ykm n ALA 118 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ykm n ALA 118 Cb 0.24 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.31 0.77 3.67 0.00 0.00 -1.04 -5.06 105.19 104.83 1ykm n GLY 119 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 5.09 0.12 1.61 1.01 -1.26 -4.80 120.40 120.13 1ykm s VAL 120 Ca 0.00 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1ykm s VAL 120 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1ykm s VAL 120 CO 0.00 0.17 1.58 -2.16 0.00 0.00 0.00 175.10 174.69 1ykm s PRO 121 N 1.62 4.22 0.16 2.72 0.04 -1.26 -1.71 135.00 140.79 1ykm s PRO 121 Ca 0.26 2.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.53 1ykm s PRO 121 Cb -0.16 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1ykm s PRO 121 CO 0.10 -0.64 0.45 -1.64 0.04 0.00 0.00 177.00 175.32 1ykm s MET 122 N 1.76 3.73 0.60 4.56 -1.94 -0.13 -4.54 119.30 123.35 1ykm s MET 122 Ca 0.71 0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 54.65 1ykm s MET 122 Cb -0.41 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 1ykm s MET 122 CO 0.31 0.43 1.10 0.00 -0.01 0.00 0.00 175.02 176.86 1ykm s ALA 123 N -1.65 2.61 -0.06 3.03 0.00 -1.26 -3.88 121.76 120.54 1ykm s ALA 123 Ca 0.42 0.61 -0.36 0.00 0.00 0.00 0.00 51.96 52.62 1ykm s ALA 123 Cb -0.12 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1ykm s ALA 123 CO 0.22 -0.98 1.70 -2.30 0.00 0.00 0.00 175.76 174.39 1ykm n PRO 124 N -1.91 1.73 -4.03 0.00 -0.02 -1.26 -4.86 135.00 124.65 1ykm n PRO 124 Ca 0.10 0.63 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1ykm n PRO 124 Cb 0.52 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.71 0.50 -0.16 6.00 -3.43 -1.26 -4.32 115.29 115.34 1ykm s HIS 125 Ca 0.90 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 1ykm s HIS 125 Cb -0.83 -0.28 0.03 0.00 -1.43 0.00 0.00 32.58 30.07 1ykm s HIS 125 CO 0.52 -0.52 -0.10 0.42 -2.00 0.00 0.00 174.74 173.07 1ykm s ILE 126 N -3.95 1.38 -0.15 -5.38 1.01 -0.81 -4.60 121.20 108.71 1ykm s ILE 126 Ca 0.13 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1ykm s ILE 126 Cb 0.06 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1ykm s ILE 126 CO -0.05 0.28 1.10 0.20 0.00 0.00 0.00 174.94 176.46 1ykm s ASN 127 N 1.54 7.11 -0.02 3.58 0.01 -0.37 -0.95 114.94 125.84 1ykm s ASN 127 Ca 0.02 1.56 0.07 0.00 -0.71 0.00 0.00 52.86 53.80 1ykm s ASN 127 Cb -0.14 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 1ykm s ASN 127 CO -0.09 -0.60 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.05 1ykm s ILE 128 N 2.72 2.43 -0.17 0.60 1.01 -0.25 -0.77 121.20 126.77 1ykm s ILE 128 Ca 0.49 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1ykm s ILE 128 Cb -0.19 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1ykm s ILE 128 CO 0.14 0.54 -0.14 -0.44 0.00 0.00 0.00 174.94 175.04 1ykm s SER 129 N -0.78 3.01 -0.22 3.58 0.01 -0.08 -0.96 113.70 118.26 1ykm s SER 129 Ca 0.11 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 1ykm s SER 129 Cb -0.10 -1.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 1ykm s SER 129 CO 0.00 -0.08 0.13 -0.22 0.41 0.00 0.00 173.24 173.48 1ykm s LEU 130 N 1.42 4.00 0.07 2.44 2.96 0.59 -1.37 118.68 128.80 1ykm s LEU 130 Ca 0.03 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.11 1ykm s LEU 130 Cb -0.14 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1ykm s LEU 130 CO -0.10 0.10 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.46 1ykm s PHE 131 N 0.85 1.81 0.00 5.38 0.40 0.63 -2.05 117.98 125.01 1ykm s PHE 131 Ca 0.06 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1ykm s PHE 131 Cb -0.13 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1ykm s PHE 131 CO 0.03 0.15 0.00 0.00 0.70 0.00 0.00 175.22 176.10 1ykm n ALA 132 N 1.44 0.00 -1.76 5.36 0.00 -1.26 0.34 120.51 124.63 1ykm n ALA 132 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1ykm n ALA 132 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 4.48 0.00 0.00 1.70 -1.26 -2.66 118.95 119.22 1ykm s ARG 133 Ca 0.00 1.97 0.00 0.00 -0.47 0.00 0.00 55.73 57.23 1ykm s ARG 133 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1ykm s ARG 133 CO 0.00 0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 1ykm n GLY 134 N 0.99 1.32 3.21 3.88 0.00 -1.26 -4.98 105.19 108.35 1ykm n GLY 134 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.49 3.95 0.13 -0.61 1.01 -1.09 -4.98 121.20 117.12 1ykm s ILE 135 Ca 0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 60.65 58.83 1ykm s ILE 135 Cb 0.00 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1ykm s ILE 135 CO 0.00 -0.62 1.56 0.78 0.00 0.00 0.00 174.94 176.66 1ykm h ASN 136 N 8.32 0.76 -3.64 3.58 2.35 -1.90 -3.37 115.58 121.68 1ykm h ASN 136 Ca -0.20 -0.33 -0.48 0.00 -0.55 0.00 0.00 56.30 54.75 1ykm h ASN 136 Cb 1.07 -0.21 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 1ykm h ASN 136 CO 0.77 0.90 -0.80 -0.51 -1.65 0.00 0.00 177.43 176.14 1ykm s ILE 137 N -4.93 0.97 0.60 2.81 2.07 -1.26 -3.23 121.20 118.23 1ykm s ILE 137 Ca -0.13 -0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 58.51 1ykm s ILE 137 Cb 0.10 -0.88 -0.06 0.00 0.13 0.00 0.00 42.46 41.76 1ykm s ILE 137 CO 0.81 0.31 0.83 0.00 -1.91 0.00 0.00 174.94 174.97 1ykm n HIS 138 N 3.55 0.33 -3.86 3.50 1.44 -1.26 -5.00 115.22 113.92 1ykm n HIS 138 Ca -0.21 0.43 -0.35 0.00 -2.01 0.00 0.00 57.72 55.58 1ykm n HIS 138 Cb 0.53 -2.07 -0.08 0.00 0.12 0.00 0.00 29.99 28.48 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 -1.28 4.16 -0.17 2.39 1.43 -0.87 -4.91 118.68 119.43 1ykm s LEU 139 Ca 0.74 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1ykm s LEU 139 Cb -0.42 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1ykm s LEU 139 CO 0.49 0.26 0.06 -1.00 0.23 0.00 0.00 176.35 176.38 1ykm s HIS 140 N -0.10 3.26 0.30 0.29 3.76 -1.26 -0.30 115.29 121.24 1ykm s HIS 140 Ca 0.09 0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1ykm s HIS 140 Cb -0.12 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 1ykm s HIS 140 CO 0.00 0.23 0.40 -0.08 -0.85 0.00 0.00 174.74 174.44 1ykm s THR 141 N 0.13 0.00 0.01 1.30 -1.32 -0.14 0.18 115.64 115.80 1ykm s THR 141 Ca 0.05 -1.67 0.03 0.00 -1.21 0.00 0.00 61.69 58.89 1ykm s THR 141 Cb -0.12 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1ykm s THR 141 CO 0.01 0.00 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.18 1ykm s ARG 142 N -3.48 0.80 -0.22 7.08 0.52 -1.26 -1.09 118.95 121.30 1ykm s ARG 142 Ca 0.31 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.95 1ykm s ARG 142 Cb 0.01 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1ykm s ARG 142 CO 0.17 0.20 0.07 -1.17 0.02 0.00 0.00 175.30 174.59 1ykm s LEU 143 N -0.62 3.62 0.38 2.53 0.20 -0.12 -4.74 118.68 119.92 1ykm s LEU 143 Ca 0.02 -0.07 0.08 0.00 0.69 0.00 0.00 54.13 54.84 1ykm s LEU 143 Cb -0.06 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.71 1ykm s LEU 143 CO 0.00 0.06 0.11 -0.31 -0.29 0.00 0.00 176.35 175.93 1ykm s TYR 144 N 1.03 2.60 -0.03 5.38 1.51 0.76 -1.92 117.35 126.69 1ykm s TYR 144 Ca 0.04 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1ykm s TYR 144 Cb -0.14 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1ykm s TYR 144 CO 0.03 0.31 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.59 1ykm s PHE 145 N -2.56 2.73 -0.58 2.71 0.40 -1.26 -0.25 117.98 119.17 1ykm s PHE 145 Ca 0.38 -0.14 0.25 0.00 -0.60 0.00 0.00 56.93 56.83 1ykm s PHE 145 Cb 0.02 -1.61 0.91 0.00 0.51 0.00 0.00 43.02 42.86 1ykm s PHE 145 CO 0.21 0.24 1.75 -0.40 0.70 0.00 0.00 175.22 177.72 1ykm n ASP 146 N 2.05 0.76 -0.81 1.36 5.75 -0.94 -2.85 116.55 121.88 1ykm n ASP 146 Ca -0.17 0.63 0.09 0.00 -0.01 0.00 0.00 54.79 55.34 1ykm n ASP 146 Cb 0.52 -0.81 0.27 0.00 -1.03 0.00 0.00 41.12 40.07 1ykm n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ykm n ASP 147 N -2.27 2.39 -1.49 -1.12 5.75 -1.26 -3.89 116.55 114.64 1ykm n ASP 147 Ca 0.04 -1.89 -0.13 0.00 -0.01 0.00 0.00 54.79 52.79 1ykm n ASP 147 Cb 0.32 -0.23 0.09 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.79 2.85 -0.28 0.11 -0.58 -1.13 -4.87 120.64 117.53 1ykm n GLU 148 Ca 0.17 -3.83 0.10 0.00 -0.42 0.00 0.00 57.16 53.17 1ykm n GLU 148 Cb 0.41 -2.03 0.35 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.73 1.76 -0.04 0.62 0.00 -1.75 0.54 119.26 122.11 1ykm h ALA 149 Ca 0.24 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1ykm h ALA 149 Cb 1.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ykm h ALA 149 CO 0.49 0.02 -0.59 1.96 0.00 0.00 0.00 179.25 181.12 1ykm h GLN 150 N 0.76 0.14 0.12 0.00 4.20 -1.94 -2.94 115.11 115.46 1ykm h GLN 150 Ca 0.44 -0.10 -0.29 0.00 0.06 0.00 0.00 58.65 58.76 1ykm h GLN 150 Cb 0.62 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1ykm h GLN 150 CO -0.20 0.69 -1.43 0.00 -0.67 0.00 0.00 178.83 177.22 1ykm h ALA 151 N 1.29 0.21 -0.29 3.87 0.00 -1.75 -3.34 119.26 119.25 1ykm h ALA 151 Ca -0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1ykm h ALA 151 Cb 1.07 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ykm h ALA 151 CO 0.09 1.08 0.05 -0.91 0.00 0.00 0.00 179.25 179.55 1ykm h ASN 152 N 0.07 0.38 0.73 0.00 2.35 -0.91 -2.64 115.58 115.56 1ykm h ASN 152 Ca -0.20 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1ykm h ASN 152 Cb 2.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 40.27 1ykm h ASN 152 CO 0.18 0.41 -0.23 0.00 -1.65 0.00 0.00 177.43 176.13 1ykm h ALA 153 N 1.65 1.10 -0.20 -0.83 0.00 -1.63 -3.16 119.26 116.19 1ykm h ALA 153 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ykm h ALA 153 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ykm h ALA 153 CO -0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 1ykm n LYS 154 N -3.52 1.88 -2.23 0.00 5.02 -1.02 -4.95 118.16 113.35 1ykm n LYS 154 Ca -0.01 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 1ykm n LYS 154 Cb 0.39 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1ykm n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykm h PRO 156 N 8.35 0.00 0.06 0.00 0.13 -1.91 -1.55 132.00 137.08 1ykm h PRO 156 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.67 1ykm h PRO 156 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ykm h PRO 156 CO 0.93 0.13 -0.46 0.28 -0.23 0.00 0.00 178.00 178.65 1ykm h VAL 157 N 0.00 1.57 0.00 1.56 2.07 -1.95 -3.19 116.25 116.31 1ykm h VAL 157 Ca -0.00 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 1ykm h VAL 157 Cb 0.34 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1ykm h VAL 157 CO 0.02 0.63 -0.27 0.25 0.02 0.00 0.00 177.57 178.22 1ykm h LEU 158 N -0.51 0.00 -0.24 2.57 5.85 -1.87 -2.25 115.31 118.87 1ykm h LEU 158 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ykm h LEU 158 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1ykm h LEU 158 CO 0.09 0.27 -0.04 0.59 -0.34 0.00 0.00 178.44 179.01 1ykm n ASN 159 N -3.92 0.41 0.09 1.25 3.02 -0.59 -3.26 115.26 112.26 1ykm n ASN 159 Ca -0.02 -0.84 0.12 0.00 -0.03 0.00 0.00 54.58 53.81 1ykm n ASN 159 Cb 0.35 -0.06 0.21 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.58 0.00 -8.84 3.41 3.38 -1.39 -3.43 115.31 109.03 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 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1ykm h LEU 160 CO 0.00 0.05 0.88 -0.63 0.09 0.00 0.00 178.44 178.83 1ykm s ILE 161 N -3.18 4.37 0.22 1.22 1.01 -1.20 -4.94 121.20 118.70 1ykm s ILE 161 Ca 0.07 1.47 -0.10 0.00 0.00 0.00 0.00 60.65 62.09 1ykm s ILE 161 Cb 0.12 -4.50 0.21 0.00 0.01 0.00 0.00 42.46 38.29 1ykm s ILE 161 CO 0.69 -0.74 1.67 -0.33 0.00 0.00 0.00 174.94 176.23 1ykm h GLU 162 N 8.64 0.15 -5.01 2.79 5.08 -1.90 -3.41 114.58 120.92 1ykm h GLU 162 Ca -0.22 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.50 1ykm h GLU 162 Cb 1.06 -0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.09 1ykm h GLU 162 CO 1.08 0.10 -0.56 -0.65 -1.00 0.00 0.00 179.01 177.97 1ykm s GLN 163 N -6.13 3.86 0.62 2.33 -1.52 -1.26 -5.00 119.66 112.56 1ykm s GLN 163 Ca -0.13 -0.38 0.32 0.00 -1.95 0.00 0.00 55.36 53.22 1ykm s GLN 163 Cb 0.19 -3.45 1.80 0.00 -0.22 0.00 0.00 33.01 31.34 1ykm s GLN 163 CO 0.74 -0.08 2.11 -1.00 -0.25 0.00 0.00 175.29 176.81 1ykm h PRO 164 N 7.93 0.00 0.00 2.91 0.13 -1.98 -2.12 132.00 138.88 1ykm h PRO 164 Ca -0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1ykm h PRO 164 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ykm h PRO 164 CO 0.60 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 180.01 1ykm h GLN 165 N 0.00 0.00 0.00 0.86 7.50 -1.97 -2.86 115.11 118.65 1ykm h GLN 165 Ca 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.20 1ykm h GLN 165 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1ykm h GLN 165 CO -0.00 0.32 -0.64 0.00 -1.50 0.00 0.00 178.83 177.01 1ykm h ARG 166 N 0.00 0.00 -0.01 1.46 3.08 -1.78 -3.32 114.38 113.81 1ykm h ARG 166 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1ykm h ARG 166 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1ykm h ARG 166 CO 0.04 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.48 1ykm h ARG 167 N 0.00 0.02 0.00 0.04 3.08 -1.53 -3.05 114.38 112.94 1ykm h ARG 167 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ykm h ARG 167 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1ykm h ARG 167 CO 0.00 0.48 0.00 0.93 -1.07 0.00 0.00 179.97 180.31 1ykm h GLU 168 N 0.02 0.00 0.00 0.04 5.08 -1.66 -2.51 114.58 115.54 1ykm h GLU 168 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ykm h GLU 168 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 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 -1.74 -2.93 112.91 110.71 1ykm h THR 169 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1ykm h THR 169 Cb 0.36 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1ykm h THR 169 CO 0.00 0.00 -0.20 0.18 -0.25 0.00 0.00 175.52 175.25 1ykm n LEU 170 N -2.81 1.63 -4.59 3.87 4.77 -0.94 -4.84 117.00 114.09 1ykm n LEU 170 Ca 0.03 -0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 55.09 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 0.29 0.29 0.03 -0.63 -1.33 0.00 0.00 177.39 176.04 1ykm s ILE 171 N -2.29 5.19 0.07 -0.08 1.01 -1.11 -0.17 121.20 123.82 1ykm s ILE 171 Ca 0.27 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 61.10 1ykm s ILE 171 Cb 0.20 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1ykm s ILE 171 CO 0.45 0.13 0.80 0.00 0.00 0.00 0.00 174.94 176.32 1ykm s ALA 172 N 2.03 3.36 -0.04 9.38 0.00 0.65 -4.91 121.76 132.23 1ykm s ALA 172 Ca 0.13 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1ykm s ALA 172 Cb -0.16 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1ykm s ALA 172 CO 0.10 0.08 0.63 0.15 0.00 0.00 0.00 175.76 176.72 1ykm s LYS 173 N -0.19 4.38 0.15 0.00 1.02 -0.78 -2.21 119.74 122.11 1ykm s LYS 173 Ca 0.39 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 1ykm s LYS 173 Cb -0.21 -3.40 -0.07 0.00 -0.52 0.00 0.00 37.83 33.63 1ykm s LYS 173 CO 0.24 0.22 0.99 0.50 -0.92 0.00 0.00 175.35 176.38 1ykm s ARG 174 N 0.31 4.70 0.29 1.68 3.52 -1.26 -0.48 118.95 127.71 1ykm s ARG 174 Ca 0.33 1.53 -0.03 0.00 -0.13 0.00 0.00 55.73 57.42 1ykm s ARG 174 Cb -0.18 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1ykm s ARG 174 CO 0.17 0.24 0.44 0.00 -0.81 0.00 0.00 175.30 175.34 1ykm s GLU 176 N -2.54 1.52 -0.26 0.00 2.02 -1.26 -1.74 118.70 116.44 1ykm s GLU 176 Ca 0.22 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.92 1ykm s GLU 176 Cb -0.01 -1.40 0.06 0.00 0.10 0.00 0.00 34.13 32.88 1ykm s GLU 176 CO 0.16 -0.10 -0.07 0.08 0.02 0.00 0.00 175.26 175.34 1ykm s VAL 177 N 1.09 1.99 -1.37 2.63 1.01 -1.01 -4.79 120.40 119.95 1ykm s VAL 177 Ca -0.07 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 1ykm s VAL 177 Cb -0.14 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1ykm s VAL 177 CO -0.01 -0.12 1.06 0.47 0.00 0.00 0.00 175.10 176.50 1ykm n ASP 178 N 4.48 -4.71 0.00 3.32 8.00 -1.26 -2.68 116.55 123.71 1ykm n ASP 178 Ca -0.11 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1ykm n ASP 178 Cb 0.43 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 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 -1.74 1.23 3.76 0.44 0.00 -1.26 -5.02 105.19 102.59 1ykm n GLY 179 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.02 2.91 -0.01 1.61 2.20 -1.09 -5.08 119.74 120.25 1ykm s LYS 180 Ca 0.00 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1ykm s LYS 180 Cb 0.00 -2.75 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 1ykm s LYS 180 CO 0.00 0.60 1.51 0.99 -0.36 0.00 0.00 175.35 178.10 1ykm s THR 181 N -1.26 3.57 0.09 3.43 2.01 -1.26 -2.39 115.64 119.82 1ykm s THR 181 Ca 0.25 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1ykm s THR 181 Cb -0.12 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1ykm s THR 181 CO 0.17 -0.03 -0.13 0.00 -0.69 0.00 0.00 174.62 173.95 1ykm s ALA 182 N 2.96 1.22 -0.05 7.40 0.00 -0.71 -1.10 121.76 131.48 1ykm s ALA 182 Ca 0.68 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1ykm s ALA 182 Cb -0.33 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ykm s ALA 182 CO 0.28 0.07 -0.11 0.71 0.00 0.00 0.00 175.76 176.71 1ykm s TYR 183 N -1.90 1.23 -0.25 0.00 1.51 -0.51 -1.11 117.35 116.32 1ykm s TYR 183 Ca 0.03 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 1ykm s TYR 183 Cb -0.06 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 1ykm s TYR 183 CO 0.02 -0.20 0.19 0.50 -1.11 0.00 0.00 175.55 174.95 1ykm s ARG 184 N 0.50 4.05 -0.32 -0.62 3.52 0.37 -1.93 118.95 124.52 1ykm s ARG 184 Ca -0.10 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1ykm s ARG 184 Cb -0.13 -3.57 0.10 0.00 -1.56 0.00 0.00 34.95 29.79 1ykm s ARG 184 CO 0.02 -0.01 0.09 0.12 -0.81 0.00 0.00 175.30 174.71 1ykm s PHE 185 N 1.26 2.10 -0.14 5.12 5.36 0.09 -1.87 117.98 129.90 1ykm s PHE 185 Ca 0.09 -1.98 -0.16 0.00 -0.96 0.00 0.00 56.93 53.92 1ykm s PHE 185 Cb -0.14 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1ykm s PHE 185 CO 0.06 -0.89 0.37 -0.51 -1.46 0.00 0.00 175.22 172.79 1ykm s ASP 186 N 1.47 6.54 -0.22 6.13 1.01 -1.26 -3.92 116.67 126.42 1ykm s ASP 186 Ca 0.10 0.64 -0.09 0.00 0.71 0.00 0.00 52.55 53.91 1ykm s ASP 186 Cb -0.18 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1ykm s ASP 186 CO -0.22 0.06 0.11 -0.63 0.21 0.00 0.00 175.17 174.70 1ykm s ILE 187 N 0.50 4.97 -0.33 0.77 1.01 -0.40 -4.96 121.20 122.76 1ykm s ILE 187 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 1ykm s ILE 187 Cb -0.14 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.10 1ykm s ILE 187 CO 0.07 0.39 0.06 -0.13 0.00 0.00 0.00 174.94 175.32 1ykm s ARG 188 N 0.89 2.39 0.14 2.79 0.52 -1.26 -0.66 118.95 123.75 1ykm s ARG 188 Ca 0.06 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 53.79 1ykm s ARG 188 Cb -0.13 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.03 1ykm s ARG 188 CO 0.03 -0.71 1.56 0.82 0.02 0.00 0.00 175.30 177.02 1ykm h ILE 189 N 6.39 1.27 -3.55 1.52 2.04 -1.57 0.08 117.51 123.69 1ykm h ILE 189 Ca -0.20 -1.16 -0.15 0.00 1.00 0.00 0.00 64.86 64.35 1ykm h ILE 189 Cb 1.06 1.10 -0.21 0.00 -0.74 0.00 0.00 36.82 38.04 1ykm h ILE 189 CO 0.57 0.40 -0.51 -1.58 0.00 0.00 0.00 178.15 177.03 1ykm s GLN 190 N -4.88 0.45 0.71 2.37 0.74 -1.26 -4.73 119.66 113.06 1ykm s GLN 190 Ca -0.12 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 54.89 1ykm s GLN 190 Cb 0.11 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.41 1ykm s GLN 190 CO 0.82 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 1ykm n GLY 191 N 1.53 0.45 3.68 2.59 0.00 -1.26 -3.99 105.19 108.18 1ykm n GLY 191 Ca -0.22 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 4.19 -0.87 1.61 2.12 -1.26 -2.60 118.70 121.88 1ykm s GLU 192 Ca 0.00 2.33 -0.00 0.00 0.36 0.00 0.00 54.97 57.65 1ykm s GLU 192 Cb 0.00 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1ykm s GLU 192 CO 0.00 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 1ykm n GLY 193 N 4.09 -0.05 3.66 -1.50 0.00 -1.26 -4.96 105.19 105.18 1ykm n GLY 193 Ca 0.17 -0.46 -0.47 0.00 0.00 0.00 0.00 46.02 45.26 1ykm n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykm n GLU 194 N -1.98 2.07 -2.21 1.61 2.13 -1.07 -4.70 120.64 116.48 1ykm n GLU 194 Ca -0.12 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.04 1ykm n GLU 194 Cb 0.59 -2.51 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 1ykm n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykm s THR 195 N 0.99 3.04 0.10 6.31 2.01 0.02 -4.95 115.64 123.16 1ykm s THR 195 Ca 0.80 0.95 -0.31 0.00 0.31 0.00 0.00 61.69 63.44 1ykm s THR 195 Cb -0.70 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 1ykm s THR 195 CO 0.39 0.19 1.34 -0.69 -0.69 0.00 0.00 174.62 175.16 1ykm s VAL 196 N -0.56 3.48 0.02 3.82 1.01 -1.26 -4.94 120.40 121.98 1ykm s VAL 196 Ca 0.52 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1ykm s VAL 196 Cb -0.37 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ykm s VAL 196 CO 0.44 0.08 -0.22 -0.36 0.00 0.00 0.00 175.10 175.05 1ykm s PHE 197 N 1.07 2.45 0.29 5.22 0.08 -1.26 -4.69 117.98 121.14 1ykm s PHE 197 Ca 0.63 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.42 1ykm s PHE 197 Cb -0.35 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1ykm s PHE 197 CO 0.30 0.15 0.23 -0.06 -0.10 0.00 0.00 175.22 175.74 1ykm s PHE 198 N -0.81 3.01 -0.03 0.36 0.08 0.13 -4.98 117.98 115.73 1ykm s PHE 198 Ca 0.12 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1ykm s PHE 198 Cb -0.10 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1ykm s PHE 198 CO 0.03 0.38 -0.06 0.34 -0.10 0.00 0.00 175.22 175.81 1ykm s ASP 199 N -3.90 0.93 0.00 1.36 3.68 -1.26 -4.24 116.67 113.24 1ykm s ASP 199 Ca 0.36 -0.14 0.00 0.00 2.13 0.00 0.00 52.55 54.91 1ykm s ASP 199 Cb -0.07 -0.33 0.00 0.00 -1.45 0.00 0.00 42.92 41.07 1ykm s ASP 199 CO 0.25 0.00 0.00 2.22 0.13 0.00 0.00 175.17 177.78