#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykk s ILE 2 N 0.00 4.42 -0.19 4.25 1.09 -1.26 -5.00 121.20 124.51 1ykk s ILE 2 Ca 0.00 1.67 -0.02 0.00 -1.10 0.00 0.00 60.65 61.20 1ykk s ILE 2 Cb 0.00 -4.21 -0.01 0.00 -1.06 0.00 0.00 42.46 37.18 1ykk s ILE 2 CO 0.00 -0.30 -0.08 -1.61 -0.10 0.00 0.00 174.94 172.86 1ykk s GLU 3 N 3.59 3.38 0.31 2.79 0.41 -1.26 -5.12 118.70 122.81 1ykk s GLU 3 Ca 0.50 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 54.40 1ykk s GLU 3 Cb -0.17 -2.86 0.07 0.00 -1.78 0.00 0.00 34.13 29.39 1ykk s GLU 3 CO 0.14 -0.04 0.43 1.28 -0.49 0.00 0.00 175.26 176.58 1ykk n LEU 4 N 4.31 0.00 -4.74 1.80 4.32 -1.26 -5.03 117.00 116.39 1ykk n LEU 4 Ca -0.18 -0.78 -0.41 0.00 -0.02 0.00 0.00 56.01 54.61 1ykk n LEU 4 Cb 0.51 -0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1ykk n LEU 4 CO 0.30 -0.74 0.95 -0.76 -1.22 0.00 0.00 177.39 175.92 1ykk s LEU 5 N 0.00 4.43 0.36 2.23 1.43 -1.26 -4.97 118.68 120.91 1ykk s LEU 5 Ca 0.27 2.41 -0.27 0.00 -1.03 0.00 0.00 54.13 55.52 1ykk s LEU 5 Cb -0.01 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1ykk s LEU 5 CO 0.18 -0.47 1.17 -2.84 0.23 0.00 0.00 176.35 174.62 1ykk s PRO 6 N -0.51 4.24 0.39 1.29 0.02 -1.26 -5.00 135.00 134.17 1ykk s PRO 6 Ca 0.54 1.87 -0.26 0.00 0.02 0.00 0.00 61.00 63.17 1ykk s PRO 6 Cb -0.36 -2.84 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 1ykk s PRO 6 CO 0.41 -0.17 1.22 -2.00 -0.33 0.00 0.00 177.00 176.13 1ykk s GLU 7 N -2.04 4.07 0.15 5.54 2.12 -1.26 -4.94 118.70 122.34 1ykk s GLU 7 Ca 0.53 1.98 -0.32 0.00 0.36 0.00 0.00 54.97 57.52 1ykk s GLU 7 Cb -0.32 -2.76 -0.12 0.00 0.26 0.00 0.00 34.13 31.20 1ykk s GLU 7 CO 0.41 -0.35 1.77 2.41 -0.54 0.00 0.00 175.26 178.96 1ykk n THR 8 N 0.20 0.20 -2.09 -1.70 -1.04 -1.26 -4.94 114.28 103.66 1ykk n THR 8 Ca 0.03 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1ykk n THR 8 Cb 0.45 -2.01 0.01 0.00 -1.82 0.00 0.00 70.33 66.96 1ykk n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykk s PRO 9 N 2.02 3.54 0.54 -2.82 0.02 -1.26 -5.03 135.00 132.01 1ykk s PRO 9 Ca 0.79 1.94 -0.15 0.00 0.02 0.00 0.00 61.00 63.60 1ykk s PRO 9 Cb -0.52 -2.35 -0.07 0.00 0.02 0.00 0.00 34.50 31.58 1ykk s PRO 9 CO 0.36 -0.78 1.00 0.45 -0.33 0.00 0.00 177.00 177.70 1ykk s SER 10 N -1.22 6.53 0.06 2.53 0.15 -1.26 -5.09 113.70 115.40 1ykk s SER 10 Ca 0.66 1.54 -0.02 0.00 0.70 0.00 0.00 55.95 58.83 1ykk s SER 10 Cb -0.33 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.45 1ykk s SER 10 CO 0.39 -0.65 -0.00 -1.10 1.20 0.00 0.00 173.24 173.08 1ykk s GLN 11 N -4.32 0.67 0.61 5.44 -1.52 -1.19 -4.89 119.66 114.46 1ykk s GLN 11 Ca 0.58 -1.22 -0.19 0.00 -1.95 0.00 0.00 55.36 52.57 1ykk s GLN 11 Cb -0.10 0.22 -0.02 0.00 -0.22 0.00 0.00 33.01 32.89 1ykk s GLN 11 CO 0.36 -0.14 1.31 -0.08 -0.25 0.00 0.00 175.29 176.50 1ykk s THR 12 N -3.93 2.06 0.25 -0.19 -1.32 -1.21 -4.74 115.64 106.56 1ykk s THR 12 Ca 0.09 0.04 0.26 0.00 -1.21 0.00 0.00 61.69 60.87 1ykk s THR 12 Cb 0.08 -3.02 0.26 0.00 -1.51 0.00 0.00 72.50 68.31 1ykk s THR 12 CO -0.09 -0.01 1.93 0.00 -2.21 0.00 0.00 174.62 174.25 1ykk h ALA 13 N 0.85 1.11 0.00 11.08 0.00 -1.74 -3.49 119.26 127.07 1ykk h ALA 13 Ca -0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ykk h ALA 13 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ykk h ALA 13 CO 0.55 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1ykk n GLY 14 N -0.18 -1.67 0.29 0.00 0.00 -1.26 -4.10 105.19 98.27 1ykk n GLY 14 Ca -0.01 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.64 1ykk n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykk h PRO 15 N 0.00 0.00 -0.67 1.61 0.13 -1.93 -3.20 132.00 127.94 1ykk h PRO 15 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 1ykk h PRO 15 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1ykk h PRO 15 CO 0.00 0.05 0.26 0.66 -0.23 0.00 0.00 178.00 178.74 1ykk n TYR 16 N -3.32 2.06 0.19 1.56 4.01 -1.26 -4.68 117.16 115.73 1ykk n TYR 16 Ca -0.01 -1.77 0.10 0.00 -0.16 0.00 0.00 57.90 56.06 1ykk n TYR 16 Cb 0.21 -0.72 0.64 0.00 -0.31 0.00 0.00 39.34 39.16 1ykk n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykk h VAL 17 N 1.02 0.95 -0.01 -0.72 3.04 -1.70 -2.75 116.25 116.08 1ykk h VAL 17 Ca 0.42 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 66.06 1ykk h VAL 17 Cb 2.18 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.37 1ykk h VAL 17 CO 0.75 0.01 -0.18 0.45 -1.01 0.00 0.00 177.57 177.59 1ykk h HIS 18 N 0.03 0.01 0.00 3.17 3.86 -1.86 -1.96 115.15 118.40 1ykk h HIS 18 Ca 0.06 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1ykk h HIS 18 Cb 0.20 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1ykk h HIS 18 CO -0.00 0.19 -0.23 -0.84 0.86 0.00 0.00 177.93 177.92 1ykk h ILE 19 N 0.01 0.85 0.00 2.45 3.07 -1.73 -0.43 117.51 121.73 1ykk h ILE 19 Ca 0.00 -0.88 -0.07 0.00 1.55 0.00 0.00 64.86 65.45 1ykk h ILE 19 Cb 0.33 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.39 1ykk h ILE 19 CO 0.02 0.22 -1.88 0.61 -1.05 0.00 0.00 178.15 176.08 1ykk n GLY 20 N -0.51 -0.80 0.00 0.16 0.00 -1.07 -4.61 105.19 98.35 1ykk n GLY 20 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ykk n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykk n LEU 21 N -2.23 0.19 -2.98 0.99 4.77 -0.76 -4.85 117.00 112.13 1ykk n LEU 21 Ca -0.09 -0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 55.26 1ykk n LEU 21 Cb 0.60 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1ykk n LEU 21 CO 0.36 0.05 -0.00 0.00 -1.33 0.00 0.00 177.39 176.47 1ykk n ALA 22 N -0.58 0.71 -0.21 -1.18 0.00 -0.20 -4.98 120.51 114.07 1ykk n ALA 22 Ca 0.00 -2.50 0.02 0.00 0.00 0.00 0.00 53.44 50.95 1ykk n ALA 22 Cb 0.01 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.55 1ykk n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykk h LEU 23 N 3.31 0.01 -0.79 0.00 4.07 -1.74 -2.07 115.31 118.10 1ykk h LEU 23 Ca -0.00 0.12 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 1ykk h LEU 23 Cb 1.00 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1ykk h LEU 23 CO 0.35 0.00 0.06 -0.08 -1.08 0.00 0.00 178.44 177.69 1ykk h GLU 24 N 0.26 0.97 0.00 1.13 4.81 -1.88 -2.43 114.58 117.45 1ykk h GLU 24 Ca 0.34 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1ykk h GLU 24 Cb 0.52 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1ykk h GLU 24 CO -0.43 0.93 -0.40 0.00 -0.73 0.00 0.00 179.01 178.38 1ykk h ALA 25 N 1.14 1.19 -0.00 2.92 0.00 -1.84 -2.72 119.26 119.95 1ykk h ALA 25 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ykk h ALA 25 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ykk h ALA 25 CO 0.02 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 1ykk n ALA 26 N -2.39 2.72 -1.13 0.00 0.00 -0.81 -4.92 120.51 113.98 1ykk n ALA 26 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.10 1ykk n ALA 26 Cb 0.46 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1ykk n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykk n GLY 27 N 1.21 0.69 3.92 0.00 0.00 -1.03 -4.99 105.19 104.99 1ykk n GLY 27 Ca 0.17 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1ykk n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykk s ASN 28 N -2.52 6.37 0.24 1.61 0.01 -0.95 -5.05 114.94 114.65 1ykk s ASN 28 Ca 0.00 0.29 -0.31 0.00 -0.71 0.00 0.00 52.86 52.13 1ykk s ASN 28 Cb 0.00 -1.97 -0.11 0.00 0.41 0.00 0.00 41.25 39.58 1ykk s ASN 28 CO 0.00 0.12 1.60 -2.16 -1.51 0.00 0.00 177.10 175.14 1ykk s PRO 29 N -2.74 4.17 0.47 -0.60 0.04 -1.26 -4.24 135.00 130.83 1ykk s PRO 29 Ca 0.36 2.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.80 1ykk s PRO 29 Cb -0.12 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1ykk s PRO 29 CO 0.28 -0.62 0.84 0.95 0.04 0.00 0.00 177.00 178.48 1ykk s THR 30 N 0.54 4.79 0.75 1.26 -4.23 -1.26 -4.95 115.64 112.55 1ykk s THR 30 Ca 0.67 0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 61.69 1ykk s THR 30 Cb -0.46 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 69.68 1ykk s THR 30 CO 0.39 -0.74 1.06 -0.13 -0.54 0.00 0.00 174.62 174.66 1ykk s ARG 31 N -4.37 1.76 0.19 3.99 0.52 -1.26 -5.00 118.95 114.78 1ykk s ARG 31 Ca 0.51 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.08 1ykk s ARG 31 Cb -0.10 -2.16 0.18 0.00 0.52 0.00 0.00 34.95 33.39 1ykk s ARG 31 CO 0.39 -1.51 1.76 -0.44 0.02 0.00 0.00 175.30 175.52 1ykk h ASP 32 N -0.77 0.22 -3.25 0.23 3.32 -2.07 -3.39 116.42 110.71 1ykk h ASP 32 Ca -0.42 0.06 -0.65 0.00 0.02 0.00 0.00 57.03 56.03 1ykk h ASP 32 Cb 1.29 0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.51 1ykk h ASP 32 CO 0.50 0.16 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.24 1ykk s GLN 33 N -6.12 2.60 0.11 3.56 -0.21 -1.26 -5.12 119.66 113.21 1ykk s GLN 33 Ca -0.13 -0.86 0.10 0.00 0.02 0.00 0.00 55.36 54.50 1ykk s GLN 33 Cb 0.15 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1ykk s GLN 33 CO 0.73 -0.30 -0.26 -1.21 -2.12 0.00 0.00 175.29 172.13 1ykk s GLU 34 N 1.32 1.45 -0.51 2.91 0.41 -1.26 -5.10 118.70 117.91 1ykk s GLU 34 Ca 0.02 -1.29 -0.19 0.00 -0.41 0.00 0.00 54.97 53.09 1ykk s GLU 34 Cb -0.14 -1.87 0.06 0.00 -1.78 0.00 0.00 34.13 30.39 1ykk s GLU 34 CO -0.11 0.45 0.64 0.42 -0.49 0.00 0.00 175.26 176.17 1ykk s ILE 35 N -1.02 4.86 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.14 1ykk s ILE 35 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1ykk s ILE 35 Cb -0.10 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1ykk s ILE 35 CO 0.05 -0.83 0.00 1.87 0.00 0.00 0.00 174.94 176.03 1ykk n TRP 36 N 6.21 0.00 1.76 3.97 -0.00 -1.26 -4.46 117.44 123.65 1ykk n TRP 36 Ca -0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.53 1ykk n TRP 36 Cb 0.45 0.00 0.46 0.00 -0.00 0.00 0.00 31.31 32.23 1ykk n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykk n ASN 37 N 0.00 0.52 -4.19 5.87 6.94 -0.87 -1.94 115.26 121.59 1ykk n ASN 37 Ca 0.00 -1.55 -0.41 0.00 -0.02 0.00 0.00 54.58 52.61 1ykk n ASN 37 Cb 0.00 -0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.32 1ykk n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykk s ARG 38 N -1.93 2.94 0.11 -3.83 3.52 -1.26 -0.93 118.95 117.56 1ykk s ARG 38 Ca 0.28 -2.45 0.05 0.00 -0.13 0.00 0.00 55.73 53.48 1ykk s ARG 38 Cb 0.13 -4.00 -0.22 0.00 -1.56 0.00 0.00 34.95 29.30 1ykk s ARG 38 CO 0.22 -1.22 1.24 -0.07 -0.81 0.00 0.00 175.30 174.66 1ykk h LEU 39 N 7.41 0.07 -8.46 -0.88 4.07 -1.39 -3.46 115.31 112.67 1ykk h LEU 39 Ca 0.01 -0.07 -0.67 0.00 0.08 0.00 0.00 57.88 57.23 1ykk h LEU 39 Cb 0.99 -0.02 -0.31 0.00 1.08 0.00 0.00 40.66 42.40 1ykk h LEU 39 CO 0.74 1.06 -0.88 0.00 -1.08 0.00 0.00 178.44 178.28 1ykk s ALA 40 N -2.70 2.07 0.42 1.53 0.00 -1.21 -0.98 121.76 120.90 1ykk s ALA 40 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1ykk s ALA 40 Cb 0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1ykk s ALA 40 CO 0.83 0.41 0.75 0.15 0.00 0.00 0.00 175.76 177.90 1ykk s LYS 41 N -0.18 3.68 0.61 0.00 1.02 0.22 -4.81 119.74 120.28 1ykk s LYS 41 Ca -0.02 0.33 0.28 0.00 0.02 0.00 0.00 55.97 56.57 1ykk s LYS 41 Cb -0.13 -2.41 1.41 0.00 -0.52 0.00 0.00 37.83 36.18 1ykk s LYS 41 CO 0.03 -0.07 1.82 -1.35 -0.92 0.00 0.00 175.35 174.86 1ykk h PRO 42 N 0.95 0.00 -0.64 -1.68 0.11 -2.01 -1.78 132.00 126.95 1ykk h PRO 42 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ykk h PRO 42 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ykk h PRO 42 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ykk n ASP 43 N -3.46 4.80 -4.78 -2.05 5.75 -1.26 -4.97 116.55 110.59 1ykk n ASP 43 Ca 0.07 -2.61 -0.39 0.00 -0.01 0.00 0.00 54.79 51.85 1ykk n ASP 43 Cb 0.69 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 1ykk n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykk s ALA 44 N -2.18 3.45 0.53 2.12 0.00 -0.67 -5.05 121.76 119.96 1ykk s ALA 44 Ca 0.48 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 1ykk s ALA 44 Cb 0.33 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1ykk s ALA 44 CO 0.19 0.30 1.19 -1.25 0.00 0.00 0.00 175.76 176.18 1ykk s PRO 45 N -1.15 3.37 0.00 0.00 0.04 -1.26 -4.91 135.00 131.10 1ykk s PRO 45 Ca 0.36 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1ykk s PRO 45 Cb -0.23 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ykk s PRO 45 CO 0.26 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1ykk n GLY 46 N 0.42 1.44 3.64 0.56 0.00 -1.26 -4.59 105.19 105.41 1ykk n GLY 46 Ca 0.10 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1ykk n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 47 N -1.65 4.09 -0.14 1.61 2.12 -1.26 -4.95 118.70 118.52 1ykk s GLU 47 Ca 0.00 1.11 -0.29 0.00 0.36 0.00 0.00 54.97 56.14 1ykk s GLU 47 Cb 0.00 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1ykk s GLU 47 CO 0.00 -0.86 1.26 -1.01 -0.54 0.00 0.00 175.26 174.11 1ykk s HIS 48 N 3.59 2.91 0.17 5.30 3.76 -1.26 -1.90 115.29 127.85 1ykk s HIS 48 Ca 0.45 1.03 0.08 0.00 -0.15 0.00 0.00 55.06 56.47 1ykk s HIS 48 Cb -0.13 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 1ykk s HIS 48 CO 0.14 -1.67 -0.16 0.96 -0.85 0.00 0.00 174.74 173.16 1ykk s ILE 49 N 3.20 1.69 -0.15 0.60 -4.36 0.03 -4.47 121.20 117.75 1ykk s ILE 49 Ca 0.55 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 1ykk s ILE 49 Cb -0.23 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1ykk s ILE 49 CO 0.17 -0.45 -0.11 -0.22 0.24 0.00 0.00 174.94 174.57 1ykk s LEU 50 N -2.88 2.76 -0.11 0.37 2.96 -0.38 -2.01 118.68 119.39 1ykk s LEU 50 Ca 0.17 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1ykk s LEU 50 Cb -0.04 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1ykk s LEU 50 CO 0.06 0.13 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.36 1ykk s LEU 51 N 0.55 2.92 0.05 -0.68 1.43 0.74 -1.18 118.68 122.51 1ykk s LEU 51 Ca -0.07 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1ykk s LEU 51 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1ykk s LEU 51 CO 0.03 0.23 -0.03 -1.48 0.23 0.00 0.00 176.35 175.33 1ykk s LEU 52 N -0.01 2.45 -0.21 1.79 -0.00 -0.33 -0.59 118.68 121.78 1ykk s LEU 52 Ca -0.02 -0.92 -0.36 0.00 -0.00 0.00 0.00 54.13 52.82 1ykk s LEU 52 Cb -0.14 0.16 0.15 0.00 -0.00 0.00 0.00 46.19 46.37 1ykk s LEU 52 CO 0.04 -0.54 1.41 -0.83 -0.00 0.00 0.00 176.35 176.43 1ykk s GLY 53 N -2.71 -0.33 0.15 -3.48 0.00 -1.05 -0.11 107.32 99.80 1ykk s GLY 53 Ca 0.04 1.52 0.10 0.00 0.00 0.00 0.00 44.72 46.38 1ykk s GLY 53 CO -0.08 0.44 -0.24 1.20 0.00 0.00 0.00 173.10 174.42 1ykk s GLN 54 N -2.02 1.39 -0.13 2.90 -0.21 -1.25 -1.52 119.66 118.82 1ykk s GLN 54 Ca 0.13 -1.39 -0.01 0.00 0.02 0.00 0.00 55.36 54.11 1ykk s GLN 54 Cb 0.03 -1.74 -0.02 0.00 1.00 0.00 0.00 33.01 32.28 1ykk s GLN 54 CO -0.04 0.39 -0.11 0.08 -2.12 0.00 0.00 175.29 173.49 1ykk s VAL 55 N -1.40 3.28 0.05 1.09 1.01 -1.26 -1.10 120.40 122.06 1ykk s VAL 55 Ca 0.15 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ykk s VAL 55 Cb -0.09 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1ykk s VAL 55 CO 0.07 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.16 1ykk s TYR 56 N 0.21 2.42 0.19 5.22 1.51 0.78 -0.57 117.35 127.12 1ykk s TYR 56 Ca -0.07 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1ykk s TYR 56 Cb -0.15 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1ykk s TYR 56 CO 0.05 0.19 0.27 -0.40 -1.11 0.00 0.00 175.55 174.54 1ykk n ASP 57 N 1.64 0.28 0.07 2.29 5.68 0.20 -1.37 116.55 125.35 1ykk n ASP 57 Ca -0.17 -1.26 0.10 0.00 -0.50 0.00 0.00 54.79 52.96 1ykk n ASP 57 Cb 0.52 -0.18 0.41 0.00 -1.14 0.00 0.00 41.12 40.73 1ykk n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykk n GLY 58 N 3.03 -1.16 1.16 6.12 0.00 -1.26 -2.24 105.19 110.84 1ykk n GLY 58 Ca 0.04 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1ykk n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykk n ASN 59 N -1.90 3.51 -0.08 1.61 3.02 -1.26 -4.70 115.26 115.45 1ykk n ASN 59 Ca 0.03 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.58 1ykk n ASN 59 Cb 0.21 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1ykk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 60 N 1.49 0.49 3.91 7.41 0.00 -0.95 -5.04 105.19 112.50 1ykk n GLY 60 Ca 0.20 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1ykk n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykk s HIS 61 N -2.02 3.54 0.25 1.61 3.76 -1.26 -4.83 115.29 116.35 1ykk s HIS 61 Ca 0.00 0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.93 1ykk s HIS 61 Cb 0.00 -1.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.79 1ykk s HIS 61 CO 0.00 0.62 1.43 -0.51 -0.85 0.00 0.00 174.74 175.44 1ykk s LEU 62 N -2.17 4.39 -0.47 0.89 1.43 -1.26 -0.63 118.68 120.85 1ykk s LEU 62 Ca 0.30 2.67 -0.18 0.00 -1.03 0.00 0.00 54.13 55.90 1ykk s LEU 62 Cb -0.13 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.52 1ykk s LEU 62 CO 0.22 -0.70 0.50 -0.69 0.23 0.00 0.00 176.35 175.92 1ykk s VAL 63 N -0.05 5.04 -0.31 -1.59 1.01 0.27 -4.86 120.40 119.90 1ykk s VAL 63 Ca 0.59 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1ykk s VAL 63 Cb -0.42 -4.17 0.72 0.00 0.00 0.00 0.00 36.38 32.52 1ykk s VAL 63 CO 0.44 -0.62 1.76 0.54 0.00 0.00 0.00 175.10 177.22 1ykk n ARG 64 N 5.73 3.59 -0.66 2.72 1.74 -1.26 -4.31 116.66 124.21 1ykk n ARG 64 Ca -0.08 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 1ykk n ARG 64 Cb 0.46 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1ykk n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykk n ASP 65 N -0.23 0.12 -4.85 0.55 5.68 -1.18 -3.18 116.55 113.47 1ykk n ASP 65 Ca 0.39 -1.88 -0.32 0.00 -0.50 0.00 0.00 54.79 52.48 1ykk n ASP 65 Cb 1.34 -0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 41.11 1ykk n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykk s SER 66 N -1.03 6.58 -0.07 -1.12 1.04 -1.22 -4.53 113.70 113.34 1ykk s SER 66 Ca 0.05 1.54 -0.00 0.00 0.48 0.00 0.00 55.95 58.02 1ykk s SER 66 Cb 0.06 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1ykk s SER 66 CO -0.02 -0.61 -0.03 0.12 0.98 0.00 0.00 173.24 173.67 1ykk s PHE 67 N -2.68 0.83 0.03 5.02 5.36 0.97 -2.34 117.98 125.16 1ykk s PHE 67 Ca 0.58 -0.27 0.08 0.00 -0.96 0.00 0.00 56.93 56.36 1ykk s PHE 67 Cb -0.10 -0.83 -0.03 0.00 -0.34 0.00 0.00 43.02 41.73 1ykk s PHE 67 CO 0.34 -0.31 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.05 1ykk s LEU 68 N 1.58 2.31 -0.07 6.12 1.02 0.19 -0.73 118.68 129.10 1ykk s LEU 68 Ca -0.00 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1ykk s LEU 68 Cb -0.13 -1.38 -0.00 0.00 0.02 0.00 0.00 46.19 44.70 1ykk s LEU 68 CO -0.04 0.27 -0.20 -1.61 0.02 0.00 0.00 176.35 174.79 1ykk s GLU 69 N -1.15 2.32 0.09 1.70 2.02 -0.64 -1.10 118.70 121.93 1ykk s GLU 69 Ca 0.12 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.47 1ykk s GLU 69 Cb -0.10 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1ykk s GLU 69 CO 0.02 0.23 -0.22 0.14 0.02 0.00 0.00 175.26 175.45 1ykk s VAL 70 N 0.16 2.53 -0.09 2.63 -7.23 0.31 -0.96 120.40 117.74 1ykk s VAL 70 Ca -0.09 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1ykk s VAL 70 Cb -0.14 -2.09 0.04 0.00 0.56 0.00 0.00 36.38 34.74 1ykk s VAL 70 CO 0.05 0.21 0.06 0.86 -0.31 0.00 0.00 175.10 175.97 1ykk s TRP 71 N -1.00 0.19 0.04 2.82 -0.11 0.28 -2.34 118.94 118.83 1ykk s TRP 71 Ca 0.15 -0.01 -0.05 0.00 1.22 0.00 0.00 56.10 57.41 1ykk s TRP 71 Cb -0.10 -0.60 -0.02 0.00 -1.50 0.00 0.00 33.47 31.25 1ykk s TRP 71 CO 0.06 -0.32 0.07 1.14 -4.62 0.00 0.00 176.95 173.28 1ykk s GLN 72 N 2.13 0.59 0.73 5.86 -2.07 -0.41 -0.75 119.66 125.75 1ykk s GLN 72 Ca 0.04 -0.83 -0.11 0.00 -1.82 0.00 0.00 55.36 52.63 1ykk s GLN 72 Cb -0.14 0.23 0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1ykk s GLN 72 CO -0.05 -0.14 1.12 0.00 -1.32 0.00 0.00 175.29 174.89 1ykk s ALA 73 N -2.82 2.84 0.87 2.60 0.00 -1.26 -4.51 121.76 119.48 1ykk s ALA 73 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1ykk s ALA 73 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ykk s ALA 73 CO -0.06 -1.30 0.00 -0.40 0.00 0.00 0.00 175.76 174.01 1ykk n ASP 74 N -3.09 0.00 0.24 0.00 5.68 -0.06 -4.34 116.55 114.98 1ykk n ASP 74 Ca 0.07 -0.83 0.08 0.00 -0.50 0.00 0.00 54.79 53.61 1ykk n ASP 74 Cb 0.58 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.16 1ykk n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykk h ALA 75 N -1.71 1.63 0.00 2.12 0.00 -1.81 0.28 119.26 119.77 1ykk h ALA 75 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ykk h ALA 75 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ykk h ALA 75 CO 0.00 0.17 -0.33 0.09 0.00 0.00 0.00 179.25 179.18 1ykk n ASN 76 N -4.17 0.39 0.00 0.00 3.02 -1.26 -3.84 115.26 109.40 1ykk n ASN 76 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1ykk n ASN 76 Cb 0.21 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1ykk n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 77 N 1.47 0.95 3.54 7.41 0.00 -0.70 -4.72 105.19 113.14 1ykk n GLY 77 Ca 0.06 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1ykk n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykk s GLU 78 N -2.02 2.92 -0.28 1.61 2.02 -1.26 -4.69 118.70 116.99 1ykk s GLU 78 Ca 0.00 -0.57 -0.23 0.00 0.02 0.00 0.00 54.97 54.19 1ykk s GLU 78 Cb 0.00 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1ykk s GLU 78 CO 0.00 0.56 0.74 0.71 0.02 0.00 0.00 175.26 177.29 1ykk s TYR 79 N -0.53 3.25 -0.83 1.61 1.51 -1.26 -0.88 117.35 120.22 1ykk s TYR 79 Ca 0.08 0.86 -0.16 0.00 -1.01 0.00 0.00 57.07 56.84 1ykk s TYR 79 Cb -0.12 -3.07 0.19 0.00 -0.11 0.00 0.00 41.96 38.85 1ykk s TYR 79 CO 0.02 -0.46 0.85 -0.65 -1.11 0.00 0.00 175.55 174.20 1ykk s GLN 80 N 2.78 3.55 0.27 -0.62 -1.52 -1.26 -4.90 119.66 117.96 1ykk s GLN 80 Ca 0.31 -2.18 0.08 0.00 -1.95 0.00 0.00 55.36 51.62 1ykk s GLN 80 Cb -0.15 -4.55 0.34 0.00 -0.22 0.00 0.00 33.01 28.43 1ykk s GLN 80 CO 0.10 -1.44 1.61 0.38 -0.25 0.00 0.00 175.29 175.69 1ykk h ASP 81 N 8.18 0.10 -0.85 5.90 2.03 -1.98 -3.24 116.42 126.56 1ykk h ASP 81 Ca 0.08 -0.06 -0.40 0.00 -0.73 0.00 0.00 57.03 55.93 1ykk h ASP 81 Cb 1.04 -0.03 -0.07 0.00 -0.83 0.00 0.00 39.33 39.45 1ykk h ASP 81 CO 0.88 0.67 1.01 0.00 -1.03 0.00 0.00 179.24 180.77 1ykk s ALA 82 N -3.70 2.03 0.01 4.15 0.00 -1.26 -4.95 121.76 118.05 1ykk s ALA 82 Ca -0.02 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 1ykk s ALA 82 Cb 0.13 -4.55 -0.05 0.00 0.00 0.00 0.00 23.12 18.64 1ykk s ALA 82 CO 0.77 -4.41 1.33 -0.47 0.00 0.00 0.00 175.76 172.99 1ykk s TYR 83 N 8.33 3.04 -0.25 0.00 5.04 -1.26 -5.00 117.35 127.25 1ykk s TYR 83 Ca 0.62 0.97 -0.16 0.00 -2.44 0.00 0.00 57.07 56.06 1ykk s TYR 83 Cb -0.04 -3.59 0.07 0.00 0.35 0.00 0.00 41.96 38.75 1ykk s TYR 83 CO -0.04 -2.06 0.63 1.21 -1.34 0.00 0.00 175.55 173.95 1ykk s ASN 84 N 1.60 -0.81 0.00 4.32 3.84 -1.26 -5.04 114.94 117.59 1ykk s ASN 84 Ca 0.62 1.36 0.21 0.00 0.21 0.00 0.00 52.86 55.25 1ykk s ASN 84 Cb -0.30 1.26 1.03 0.00 -0.55 0.00 0.00 41.25 42.68 1ykk s ASN 84 CO 0.26 -0.23 1.66 0.18 -2.79 0.00 0.00 177.10 176.18 1ykk n LEU 85 N 3.97 0.00 0.12 3.21 4.77 -1.26 -2.47 117.00 125.34 1ykk n LEU 85 Ca -0.19 0.31 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 1ykk n LEU 85 Cb 0.58 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1ykk n LEU 85 CO 0.01 -0.10 0.33 -0.33 -1.33 0.00 0.00 177.39 175.98 1ykk h GLU 86 N 0.00 0.00 -7.02 3.23 5.08 -2.00 -3.47 114.58 110.41 1ykk h GLU 86 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1ykk h GLU 86 Cb 0.21 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.57 1ykk h GLU 86 CO 0.00 0.39 0.57 -0.80 -1.00 0.00 0.00 179.01 178.17 1ykk s ASN 87 N -6.25 5.72 0.31 1.42 0.01 -1.03 -4.93 114.94 110.19 1ykk s ASN 87 Ca 0.03 2.60 0.08 0.00 -0.71 0.00 0.00 52.86 54.86 1ykk s ASN 87 Cb 0.08 -2.63 0.49 0.00 0.41 0.00 0.00 41.25 39.61 1ykk s ASN 87 CO 0.75 -1.25 1.72 0.00 -1.51 0.00 0.00 177.10 176.81 1ykk h ALA 88 N 1.83 1.15 -3.54 0.60 0.00 -1.90 -3.44 119.26 113.96 1ykk h ALA 88 Ca -0.50 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 53.75 1ykk h ALA 88 Cb 1.27 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 1ykk h ALA 88 CO 0.59 0.58 -0.68 0.12 0.00 0.00 0.00 179.25 179.86 1ykk s PHE 89 N -4.12 -0.04 -0.08 0.00 5.36 -1.26 -0.61 117.98 117.23 1ykk s PHE 89 Ca -0.04 0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1ykk s PHE 89 Cb 0.13 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 1ykk s PHE 89 CO 0.76 -0.06 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.46 1ykk s ASN 90 N 0.51 2.61 0.18 6.13 0.01 -0.15 -4.99 114.94 119.23 1ykk s ASN 90 Ca -0.04 -0.46 0.23 0.00 -0.71 0.00 0.00 52.86 51.88 1ykk s ASN 90 Cb -0.06 -1.08 0.90 0.00 0.41 0.00 0.00 41.25 41.42 1ykk s ASN 90 CO -0.02 0.13 1.70 -1.20 -1.51 0.00 0.00 177.10 176.20 1ykk n SER 91 N 3.48 0.51 -4.56 -1.22 7.64 -1.22 -4.73 113.62 113.52 1ykk n SER 91 Ca -0.20 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 59.98 1ykk n SER 91 Cb 0.53 -0.72 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 1ykk n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykk s PHE 92 N -3.18 2.74 0.15 1.43 5.36 -1.26 -1.28 117.98 121.93 1ykk s PHE 92 Ca 0.07 -0.15 -0.24 0.00 -0.96 0.00 0.00 56.93 55.65 1ykk s PHE 92 Cb 0.11 -1.48 0.07 0.00 -0.34 0.00 0.00 43.02 41.38 1ykk s PHE 92 CO 0.42 0.38 0.68 0.20 -1.46 0.00 0.00 175.22 175.44 1ykk s GLY 93 N -1.87 -0.52 0.04 13.12 0.00 -0.99 -4.82 107.32 112.30 1ykk s GLY 93 Ca 0.19 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.42 1ykk s GLY 93 CO 0.11 0.15 -0.12 0.50 0.00 0.00 0.00 173.10 173.74 1ykk s ARG 94 N -3.65 0.75 0.27 2.90 0.52 -0.82 -0.53 118.95 118.39 1ykk s ARG 94 Ca 0.03 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.41 1ykk s ARG 94 Cb -0.02 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 1ykk s ARG 94 CO -0.09 0.16 0.42 -0.08 0.02 0.00 0.00 175.30 175.73 1ykk s THR 95 N -1.02 0.00 0.15 0.02 -1.32 -0.26 -2.04 115.64 111.17 1ykk s THR 95 Ca -0.02 -1.56 -0.24 0.00 -1.21 0.00 0.00 61.69 58.66 1ykk s THR 95 Cb -0.08 -2.39 0.07 0.00 -1.51 0.00 0.00 72.50 68.58 1ykk s THR 95 CO 0.01 0.00 0.70 0.00 -2.21 0.00 0.00 174.62 173.12 1ykk s ALA 96 N -3.73 -1.57 -0.17 11.08 0.00 -1.26 -0.64 121.76 125.47 1ykk s ALA 96 Ca 0.28 0.40 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1ykk s ALA 96 Cb 0.01 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1ykk s ALA 96 CO 0.13 -0.83 -0.05 0.95 0.00 0.00 0.00 175.76 175.96 1ykk s THR 97 N -3.64 3.67 0.50 0.00 -4.23 -0.99 -4.17 115.64 106.78 1ykk s THR 97 Ca 0.04 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1ykk s THR 97 Cb -0.02 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1ykk s THR 97 CO -0.07 0.48 0.17 0.42 -0.54 0.00 0.00 174.62 175.07 1ykk s THR 98 N 0.61 1.56 -0.15 3.99 -4.23 0.45 -3.13 115.64 114.74 1ykk s THR 98 Ca -0.03 -1.78 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 1ykk s THR 98 Cb -0.15 -2.34 0.35 0.00 1.34 0.00 0.00 72.50 71.71 1ykk s THR 98 CO 0.03 0.00 1.85 -0.26 -0.54 0.00 0.00 174.62 175.70 1ykk h PHE 99 N 1.18 0.00 0.12 3.99 0.04 -1.93 -2.89 116.94 117.45 1ykk h PHE 99 Ca -0.41 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.05 1ykk h PHE 99 Cb 1.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1ykk h PHE 99 CO 1.15 0.00 -1.62 -0.44 -0.60 0.00 0.00 178.31 176.80 1ykk h ASP 100 N 0.00 0.38 -3.43 2.17 3.32 -1.95 -3.43 116.42 113.49 1ykk h ASP 100 Ca 0.00 -0.86 -0.61 0.00 0.02 0.00 0.00 57.03 55.58 1ykk h ASP 100 Cb 0.61 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 39.63 1ykk h ASP 100 CO 0.00 1.70 -0.74 0.00 -1.72 0.00 0.00 179.24 178.49 1ykk s ALA 101 N -2.50 2.07 -2.00 3.45 0.00 -1.19 -4.98 121.76 116.61 1ykk s ALA 101 Ca -0.21 -2.21 0.17 0.00 0.00 0.00 0.00 51.96 49.71 1ykk s ALA 101 Cb 0.05 -1.80 1.02 0.00 0.00 0.00 0.00 23.12 22.39 1ykk s ALA 101 CO 0.76 -1.82 1.45 0.41 0.00 0.00 0.00 175.76 176.56 1ykk n GLY 102 N 4.23 -0.65 3.15 0.00 0.00 -1.10 -0.41 105.19 110.41 1ykk n GLY 102 Ca 0.03 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1ykk n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 103 N -2.00 2.91 0.42 1.61 2.12 -1.26 -4.54 118.70 117.96 1ykk s GLU 103 Ca 0.26 -0.81 -0.15 0.00 0.36 0.00 0.00 54.97 54.62 1ykk s GLU 103 Cb 0.12 -2.39 -0.08 0.00 0.26 0.00 0.00 34.13 32.04 1ykk s GLU 103 CO 0.20 -0.05 0.85 1.67 -0.54 0.00 0.00 175.26 177.39 1ykk s TRP 104 N 0.91 3.41 0.15 5.30 1.48 -0.58 -4.85 118.94 124.75 1ykk s TRP 104 Ca -0.05 1.31 0.07 0.00 -1.06 0.00 0.00 56.10 56.36 1ykk s TRP 104 Cb -0.15 -2.64 -0.04 0.00 -1.16 0.00 0.00 33.47 29.48 1ykk s TRP 104 CO -0.03 -0.12 -0.14 0.95 -4.06 0.00 0.00 176.95 173.54 1ykk s THR 105 N -2.30 1.47 -0.19 0.66 -4.23 -1.26 -2.52 115.64 107.27 1ykk s THR 105 Ca 0.56 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 1ykk s THR 105 Cb -0.10 -1.71 0.08 0.00 1.34 0.00 0.00 72.50 72.11 1ykk s THR 105 CO 0.24 -0.46 0.44 -0.22 -0.54 0.00 0.00 174.62 174.07 1ykk s LEU 106 N -2.71 -0.44 -0.29 4.79 2.96 0.24 -4.82 118.68 118.40 1ykk s LEU 106 Ca 0.13 0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1ykk s LEU 106 Cb -0.04 1.43 -0.00 0.00 0.50 0.00 0.00 46.19 48.08 1ykk s LEU 106 CO 0.04 -0.22 0.11 -1.00 -1.32 0.00 0.00 176.35 173.96 1ykk s HIS 107 N 2.05 3.15 0.00 5.38 3.76 -0.11 -0.18 115.29 129.34 1ykk s HIS 107 Ca -0.06 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1ykk s HIS 107 Cb -0.10 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1ykk s HIS 107 CO -0.13 -0.49 0.00 -2.37 -0.85 0.00 0.00 174.74 170.90 1ykk n THR 108 N 4.93 0.00 -4.34 1.30 5.66 -0.85 -1.13 114.28 119.85 1ykk n THR 108 Ca -0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 1ykk n THR 108 Cb 0.49 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.18 1ykk n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykk s VAL 109 N -2.75 3.04 -0.03 1.08 -7.23 -1.26 -0.79 120.40 112.45 1ykk s VAL 109 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 1ykk s VAL 109 Cb 0.00 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1ykk s VAL 109 CO 0.00 -0.22 1.43 -0.75 -0.31 0.00 0.00 175.10 175.25 1ykk s LYS 110 N -3.13 4.26 0.61 4.82 2.20 -0.80 -4.88 119.74 122.82 1ykk s LYS 110 Ca 0.27 1.97 -0.18 0.00 -0.36 0.00 0.00 55.97 57.67 1ykk s LYS 110 Cb -0.07 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1ykk s LYS 110 CO 0.16 -0.64 1.21 -1.25 -0.36 0.00 0.00 175.35 174.46 1ykk s PRO 111 N 2.83 2.88 0.75 4.03 0.04 -1.26 -4.21 135.00 140.06 1ykk s PRO 111 Ca 0.64 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 1ykk s PRO 111 Cb -0.31 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.42 1ykk s PRO 111 CO 0.25 -1.27 1.06 0.20 0.04 0.00 0.00 177.00 177.28 1ykk s GLY 112 N -1.67 1.73 0.16 0.56 0.00 0.89 -4.74 107.32 104.25 1ykk s GLY 112 Ca 0.77 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 1ykk s GLY 112 CO 0.35 -0.69 1.05 0.14 0.00 0.00 0.00 173.10 173.94 1ykk s VAL 113 N -3.33 4.08 -0.00 1.40 1.01 -1.26 -4.52 120.40 117.77 1ykk s VAL 113 Ca 0.64 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.46 1ykk s VAL 113 Cb -0.08 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1ykk s VAL 113 CO 0.46 0.30 -0.22 0.68 0.00 0.00 0.00 175.10 176.32 1ykk s VAL 114 N -0.17 1.71 0.24 2.92 -7.23 -1.25 -4.53 120.40 112.09 1ykk s VAL 114 Ca 0.48 -0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 1ykk s VAL 114 Cb -0.27 -1.43 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 1ykk s VAL 114 CO 0.33 0.43 0.70 0.20 -0.31 0.00 0.00 175.10 176.45 1ykk s ASN 115 N -0.66 6.94 1.01 4.85 -0.87 -1.26 -1.18 114.94 123.78 1ykk s ASN 115 Ca 0.08 1.33 -0.08 0.00 -1.57 0.00 0.00 52.86 52.62 1ykk s ASN 115 Cb -0.08 -2.39 0.11 0.00 -0.02 0.00 0.00 41.25 38.87 1ykk s ASN 115 CO -0.00 -0.03 0.60 -0.46 -2.57 0.00 0.00 177.10 174.64 1ykk n ASN 116 N 0.41 -0.13 0.04 -1.22 6.94 -0.55 -4.85 115.26 115.91 1ykk n ASN 116 Ca -0.01 -1.17 0.10 0.00 -0.02 0.00 0.00 54.58 53.47 1ykk n ASN 116 Cb 0.52 -0.47 0.54 0.00 -2.36 0.00 0.00 39.78 38.01 1ykk n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykk h ALA 117 N -1.95 1.99 -0.01 -2.53 0.00 -1.99 -1.47 119.26 113.30 1ykk h ALA 117 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ykk h ALA 117 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ykk h ALA 117 CO 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 1ykk n ALA 118 N -2.53 2.72 -0.74 0.00 0.00 -1.26 -4.93 120.51 113.77 1ykk n ALA 118 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ykk n ALA 118 Cb 0.24 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1ykk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykk n GLY 119 N 1.20 0.59 3.67 0.00 0.00 -0.55 -5.05 105.19 105.04 1ykk n GLY 119 Ca 0.18 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1ykk n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykk s VAL 120 N -2.00 5.16 0.11 1.61 1.01 -1.26 -4.78 120.40 120.25 1ykk s VAL 120 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 1ykk s VAL 120 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1ykk s VAL 120 CO 0.00 0.22 1.72 -2.16 0.00 0.00 0.00 175.10 174.88 1ykk s PRO 121 N 1.44 4.17 0.13 2.72 0.04 -1.26 -1.49 135.00 140.75 1ykk s PRO 121 Ca 0.22 2.46 -0.09 0.00 0.04 0.00 0.00 61.00 63.62 1ykk s PRO 121 Cb -0.15 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 1ykk s PRO 121 CO 0.09 -0.76 0.43 -1.64 0.04 0.00 0.00 177.00 175.16 1ykk s MET 122 N 2.43 3.75 0.72 4.56 -1.94 -0.32 -4.51 119.30 123.98 1ykk s MET 122 Ca 0.76 0.15 -0.14 0.00 -1.71 0.00 0.00 55.69 54.75 1ykk s MET 122 Cb -0.43 -2.89 0.04 0.00 2.01 0.00 0.00 34.83 33.55 1ykk s MET 122 CO 0.34 0.48 1.15 0.00 -0.01 0.00 0.00 175.02 176.98 1ykk s ALA 123 N -1.55 2.21 0.09 3.03 0.00 -1.26 -3.90 121.76 120.38 1ykk s ALA 123 Ca 0.38 0.66 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 1ykk s ALA 123 Cb -0.13 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 1ykk s ALA 123 CO 0.20 -1.71 1.65 -2.30 0.00 0.00 0.00 175.76 173.61 1ykk n PRO 124 N -2.82 2.12 -3.91 0.00 -0.02 -1.26 -4.83 135.00 124.27 1ykk n PRO 124 Ca 0.12 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1ykk n PRO 124 Cb 0.51 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1ykk n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykk s HIS 125 N 1.80 0.28 -0.13 6.00 -3.43 -1.26 -4.34 115.29 114.21 1ykk s HIS 125 Ca 0.83 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 1ykk s HIS 125 Cb -0.69 -0.06 0.02 0.00 -1.43 0.00 0.00 32.58 30.42 1ykk s HIS 125 CO 0.42 -0.63 -0.11 0.42 -2.00 0.00 0.00 174.74 172.84 1ykk s ILE 126 N -3.92 1.32 -0.15 -5.38 1.01 -0.83 -4.56 121.20 108.69 1ykk s ILE 126 Ca 0.11 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1ykk s ILE 126 Cb 0.04 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1ykk s ILE 126 CO -0.05 0.42 1.00 0.20 0.00 0.00 0.00 174.94 176.50 1ykk s ASN 127 N 1.52 7.17 -0.07 3.58 0.01 0.07 -1.16 114.94 126.06 1ykk s ASN 127 Ca 0.04 1.45 0.04 0.00 -0.71 0.00 0.00 52.86 53.68 1ykk s ASN 127 Cb -0.13 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1ykk s ASN 127 CO -0.09 -0.52 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.15 1ykk s ILE 128 N 2.41 2.43 -0.18 0.60 1.01 0.16 -0.55 121.20 127.09 1ykk s ILE 128 Ca 0.46 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1ykk s ILE 128 Cb -0.17 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1ykk s ILE 128 CO 0.14 0.56 -0.15 -0.44 0.00 0.00 0.00 174.94 175.05 1ykk s SER 129 N -0.12 3.56 -0.23 3.58 0.01 -0.14 -0.37 113.70 120.00 1ykk s SER 129 Ca -0.04 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.61 1ykk s SER 129 Cb -0.14 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1ykk s SER 129 CO 0.04 0.02 0.09 -0.22 0.41 0.00 0.00 173.24 173.58 1ykk s LEU 130 N 1.19 3.73 0.07 2.44 2.96 0.12 -1.63 118.68 127.57 1ykk s LEU 130 Ca 0.02 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1ykk s LEU 130 Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1ykk s LEU 130 CO -0.07 0.05 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.46 1ykk s PHE 131 N 1.12 1.71 -0.07 5.38 0.40 0.09 -1.89 117.98 124.72 1ykk s PHE 131 Ca 0.05 -0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 55.67 1ykk s PHE 131 Cb -0.14 -0.98 0.13 0.00 0.51 0.00 0.00 43.02 42.54 1ykk s PHE 131 CO 0.04 0.13 1.39 0.00 0.70 0.00 0.00 175.22 177.47 1ykk s ALA 132 N -0.97 -2.53 0.39 5.36 0.00 -1.26 -0.02 121.76 122.73 1ykk s ALA 132 Ca 0.06 0.66 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 1ykk s ALA 132 Cb -0.09 0.47 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 1ykk s ALA 132 CO 0.03 -1.10 1.20 -0.98 0.00 0.00 0.00 175.76 174.91 1ykk s ARG 133 N -2.08 4.09 0.00 0.00 1.70 -1.25 -2.68 118.95 118.73 1ykk s ARG 133 Ca 0.20 1.93 0.00 0.00 -0.47 0.00 0.00 55.73 57.39 1ykk s ARG 133 Cb 0.05 -2.75 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 1ykk s ARG 133 CO -0.05 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1ykk n GLY 134 N 0.69 1.72 3.22 3.88 0.00 -1.26 -4.98 105.19 108.46 1ykk n GLY 134 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ykk n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykk s ILE 135 N -2.42 4.15 0.16 -0.61 1.01 -1.09 -4.96 121.20 117.44 1ykk s ILE 135 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 60.65 58.82 1ykk s ILE 135 Cb 0.00 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1ykk s ILE 135 CO 0.00 -0.70 1.66 0.78 0.00 0.00 0.00 174.94 176.68 1ykk h ASN 136 N 8.41 0.83 -3.91 3.58 2.35 -1.89 -3.36 115.58 121.59 1ykk h ASN 136 Ca -0.21 -0.24 -0.43 0.00 -0.55 0.00 0.00 56.30 54.87 1ykk h ASN 136 Cb 1.07 -0.22 -0.30 0.00 0.05 0.00 0.00 38.32 38.92 1ykk h ASN 136 CO 0.82 0.85 -0.79 -0.51 -1.65 0.00 0.00 177.43 176.16 1ykk s ILE 137 N -5.28 0.83 0.54 2.81 2.07 -1.26 -3.16 121.20 117.75 1ykk s ILE 137 Ca -0.13 -0.41 -0.21 0.00 -1.41 0.00 0.00 60.65 58.49 1ykk s ILE 137 Cb 0.12 -0.73 -0.06 0.00 0.13 0.00 0.00 42.46 41.92 1ykk s ILE 137 CO 0.81 0.25 1.17 0.00 -1.91 0.00 0.00 174.94 175.26 1ykk n HIS 138 N 3.13 1.65 -3.61 3.50 1.44 -1.26 -5.00 115.22 115.06 1ykk n HIS 138 Ca -0.17 0.46 -0.36 0.00 -2.01 0.00 0.00 57.72 55.64 1ykk n HIS 138 Cb 0.55 -2.27 -0.08 0.00 0.12 0.00 0.00 29.99 28.30 1ykk n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykk s LEU 139 N -2.43 4.17 -0.18 2.39 1.43 -0.79 -4.91 118.68 118.35 1ykk s LEU 139 Ca 0.71 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1ykk s LEU 139 Cb -0.44 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1ykk s LEU 139 CO 0.50 0.07 0.13 -1.00 0.23 0.00 0.00 176.35 176.28 1ykk s HIS 140 N 0.83 3.44 0.25 0.29 3.76 -1.26 0.15 115.29 122.76 1ykk s HIS 140 Ca 0.11 0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 55.35 1ykk s HIS 140 Cb -0.13 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1ykk s HIS 140 CO 0.03 0.37 0.30 -0.08 -0.85 0.00 0.00 174.74 174.52 1ykk s THR 141 N 0.09 0.00 -0.03 1.30 -1.32 0.51 -0.07 115.64 116.12 1ykk s THR 141 Ca 0.09 -1.77 0.03 0.00 -1.21 0.00 0.00 61.69 58.83 1ykk s THR 141 Cb -0.11 -2.45 -0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1ykk s THR 141 CO -0.01 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.15 1ykk s ARG 142 N -3.84 1.21 -0.23 7.08 0.52 -1.26 -0.66 118.95 121.78 1ykk s ARG 142 Ca 0.33 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 55.02 1ykk s ARG 142 Cb 0.03 -1.11 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 1ykk s ARG 142 CO 0.15 0.18 0.18 -1.17 0.02 0.00 0.00 175.30 174.65 1ykk s LEU 143 N 0.07 4.14 0.39 2.53 0.20 -0.31 -4.71 118.68 120.99 1ykk s LEU 143 Ca -0.02 0.18 0.08 0.00 0.69 0.00 0.00 54.13 55.05 1ykk s LEU 143 Cb -0.09 -2.14 -0.07 0.00 -0.43 0.00 0.00 46.19 43.46 1ykk s LEU 143 CO 0.01 0.07 0.02 -0.31 -0.29 0.00 0.00 176.35 175.85 1ykk s TYR 144 N 0.94 2.52 0.01 5.38 1.51 1.00 -1.97 117.35 126.74 1ykk s TYR 144 Ca 0.09 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1ykk s TYR 144 Cb -0.13 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1ykk s TYR 144 CO 0.04 0.43 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.69 1ykk s PHE 145 N -2.65 2.62 -0.08 2.71 0.40 -1.26 0.01 117.98 119.73 1ykk s PHE 145 Ca 0.36 -0.22 0.30 0.00 -0.60 0.00 0.00 56.93 56.77 1ykk s PHE 145 Cb 0.06 -1.52 1.10 0.00 0.51 0.00 0.00 43.02 43.17 1ykk s PHE 145 CO 0.19 0.24 1.88 0.38 0.70 0.00 0.00 175.22 178.60 1ykk h ASP 146 N 4.75 0.00 -0.21 1.36 2.03 -1.74 -2.90 116.42 119.70 1ykk h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1ykk h ASP 146 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1ykk h ASP 146 CO 0.49 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.80 1ykk n ASP 147 N -3.01 1.78 -1.35 4.15 5.75 -1.26 -3.57 116.55 119.04 1ykk n ASP 147 Ca 0.02 -1.77 -0.10 0.00 -0.01 0.00 0.00 54.79 52.92 1ykk n ASP 147 Cb 0.35 -0.14 0.11 0.00 -1.03 0.00 0.00 41.12 40.42 1ykk n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykk n GLU 148 N 0.41 2.62 -0.31 0.11 -0.58 -1.10 -4.85 120.64 116.95 1ykk n GLU 148 Ca 0.16 -3.73 0.10 0.00 -0.42 0.00 0.00 57.16 53.27 1ykk n GLU 148 Cb 0.34 -1.96 0.33 0.00 -0.57 0.00 0.00 31.44 29.57 1ykk n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykk h ALA 149 N 1.60 1.71 -0.04 0.62 0.00 -1.72 0.11 119.26 121.54 1ykk h ALA 149 Ca 0.20 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1ykk h ALA 149 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1ykk h ALA 149 CO 0.42 0.03 -0.51 1.96 0.00 0.00 0.00 179.25 181.15 1ykk h GLN 150 N 0.80 0.10 0.07 0.00 4.20 -1.92 -2.96 115.11 115.41 1ykk h GLN 150 Ca 0.47 -0.06 -0.29 0.00 0.06 0.00 0.00 58.65 58.84 1ykk h GLN 150 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1ykk h GLN 150 CO -0.24 0.60 -1.50 0.00 -0.67 0.00 0.00 178.83 177.02 1ykk h ALA 151 N 1.39 0.42 -0.54 3.87 0.00 -1.66 -3.36 119.26 119.38 1ykk h ALA 151 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.70 1ykk h ALA 151 Cb 0.94 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1ykk h ALA 151 CO 0.07 1.28 0.20 -0.91 0.00 0.00 0.00 179.25 179.89 1ykk h ASN 152 N 0.04 0.73 0.68 0.00 2.35 -0.79 -2.72 115.58 115.86 1ykk h ASN 152 Ca -0.22 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1ykk h ASN 152 Cb 1.97 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 40.15 1ykk h ASN 152 CO 0.13 0.67 -0.15 0.00 -1.65 0.00 0.00 177.43 176.43 1ykk h ALA 153 N 1.43 1.11 -0.02 -0.83 0.00 -1.66 -3.05 119.26 116.25 1ykk h ALA 153 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ykk h ALA 153 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ykk h ALA 153 CO -0.01 0.19 -0.02 1.63 0.00 0.00 0.00 179.25 181.03 1ykk n LYS 154 N -3.43 1.81 -2.23 0.00 5.02 -1.05 -4.94 118.16 113.35 1ykk n LYS 154 Ca -0.01 -1.67 -0.42 0.00 -2.02 0.00 0.00 58.31 54.19 1ykk n LYS 154 Cb 0.32 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1ykk n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykk h PRO 156 N 8.17 0.00 0.02 0.00 0.13 -1.91 -1.71 132.00 136.70 1ykk h PRO 156 Ca -0.36 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1ykk h PRO 156 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ykk h PRO 156 CO 0.92 0.14 -0.35 0.28 -0.23 0.00 0.00 178.00 178.76 1ykk h VAL 157 N 0.00 1.55 0.00 1.56 2.07 -1.95 -3.12 116.25 116.35 1ykk h VAL 157 Ca -0.00 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 1ykk h VAL 157 Cb 0.30 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1ykk h VAL 157 CO 0.02 0.58 -0.23 0.25 0.02 0.00 0.00 177.57 178.20 1ykk h LEU 158 N -0.47 0.00 -0.43 2.57 5.85 -1.86 -2.01 115.31 118.95 1ykk h LEU 158 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ykk h LEU 158 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1ykk h LEU 158 CO 0.07 0.23 -0.05 0.59 -0.34 0.00 0.00 178.44 178.94 1ykk n ASN 159 N -3.87 0.72 0.03 1.25 3.02 -0.66 -3.28 115.26 112.46 1ykk n ASN 159 Ca -0.02 -1.01 0.12 0.00 -0.03 0.00 0.00 54.58 53.65 1ykk n ASN 159 Cb 0.32 -0.02 0.30 0.00 -0.61 0.00 0.00 39.78 39.78 1ykk n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykk n LEU 160 N -0.58 0.50 -4.53 3.41 4.77 -0.76 -4.64 117.00 115.17 1ykk n LEU 160 Ca 0.18 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 1ykk n LEU 160 Cb 0.26 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1ykk n LEU 160 CO 0.20 0.02 0.78 -0.63 -1.33 0.00 0.00 177.39 176.43 1ykk s ILE 161 N -3.06 4.36 0.27 -0.08 1.01 -1.21 -4.94 121.20 117.55 1ykk s ILE 161 Ca 0.10 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 1ykk s ILE 161 Cb 0.16 -4.54 0.34 0.00 0.01 0.00 0.00 42.46 38.43 1ykk s ILE 161 CO 0.67 -1.10 1.61 -0.33 0.00 0.00 0.00 174.94 175.78 1ykk h GLU 162 N 9.31 0.07 -5.00 2.79 5.08 -1.89 -3.41 114.58 121.53 1ykk h GLU 162 Ca -0.26 -0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.47 1ykk h GLU 162 Cb 1.07 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.15 1ykk h GLU 162 CO 1.09 0.05 -0.51 -0.65 -1.00 0.00 0.00 179.01 177.98 1ykk s GLN 163 N -6.07 4.01 0.62 2.33 -1.52 -1.26 -4.99 119.66 112.77 1ykk s GLN 163 Ca -0.13 -0.30 0.34 0.00 -1.95 0.00 0.00 55.36 53.32 1ykk s GLN 163 Cb 0.25 -3.59 1.93 0.00 -0.22 0.00 0.00 33.01 31.39 1ykk s GLN 163 CO 0.77 -0.05 2.22 -1.00 -0.25 0.00 0.00 175.29 176.98 1ykk h PRO 164 N 7.90 0.00 -0.07 2.91 0.13 -1.97 -1.85 132.00 139.05 1ykk h PRO 164 Ca -0.37 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.65 1ykk h PRO 164 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ykk h PRO 164 CO 0.61 0.00 -0.45 1.96 -0.23 0.00 0.00 178.00 179.88 1ykk h GLN 165 N 0.00 0.16 0.00 0.86 7.50 -1.96 -2.74 115.11 118.94 1ykk h GLN 165 Ca 0.02 -0.08 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 1ykk h GLN 165 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 1ykk h GLN 165 CO -0.00 0.59 -0.30 0.00 -1.50 0.00 0.00 178.83 177.62 1ykk h ARG 166 N 0.13 0.00 -0.05 1.46 3.08 -1.73 -3.26 114.38 114.01 1ykk h ARG 166 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ykk h ARG 166 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1ykk h ARG 166 CO 0.07 0.20 -0.47 0.00 -1.07 0.00 0.00 179.97 178.69 1ykk h ARG 167 N 0.00 0.11 0.00 0.04 3.08 -1.41 -2.99 114.38 113.21 1ykk h ARG 167 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ykk h ARG 167 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1ykk h ARG 167 CO 0.03 0.56 0.00 0.93 -1.07 0.00 0.00 179.97 180.42 1ykk h GLU 168 N 0.09 0.00 0.00 0.04 5.08 -1.59 -2.12 114.58 116.08 1ykk h GLU 168 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ykk h GLU 168 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1ykk h GLU 168 CO 0.07 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.87 1ykk h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.70 -2.99 112.91 110.68 1ykk h THR 169 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1ykk h THR 169 Cb 0.25 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1ykk h THR 169 CO 0.00 0.00 -0.10 0.18 -0.25 0.00 0.00 175.52 175.35 1ykk n LEU 170 N -2.92 2.00 -4.56 3.87 4.77 -0.80 -4.84 117.00 114.52 1ykk n LEU 170 Ca 0.02 -0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 54.95 1ykk n LEU 170 Cb 0.39 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1ykk n LEU 170 CO 0.29 0.34 -0.15 -0.63 -1.33 0.00 0.00 177.39 175.91 1ykk s ILE 171 N -2.14 5.29 0.12 -0.08 1.01 -1.13 -0.00 121.20 124.27 1ykk s ILE 171 Ca 0.30 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 1ykk s ILE 171 Cb 0.20 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 1ykk s ILE 171 CO 0.38 0.13 0.88 0.00 0.00 0.00 0.00 174.94 176.34 1ykk s ALA 172 N 1.74 3.32 -0.04 9.38 0.00 0.10 -4.88 121.76 131.38 1ykk s ALA 172 Ca 0.07 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1ykk s ALA 172 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1ykk s ALA 172 CO 0.11 0.08 0.63 0.15 0.00 0.00 0.00 175.76 176.73 1ykk s LYS 173 N -0.37 4.38 0.19 0.00 1.02 -0.77 -1.98 119.74 122.22 1ykk s LYS 173 Ca 0.42 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.89 1ykk s LYS 173 Cb -0.23 -3.40 -0.08 0.00 -0.52 0.00 0.00 37.83 33.60 1ykk s LYS 173 CO 0.28 0.20 1.01 0.50 -0.92 0.00 0.00 175.35 176.42 1ykk s ARG 174 N 0.36 4.72 0.32 1.68 3.52 -1.26 -0.41 118.95 127.87 1ykk s ARG 174 Ca 0.33 1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 57.49 1ykk s ARG 174 Cb -0.18 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1ykk s ARG 174 CO 0.17 0.28 0.46 0.00 -0.81 0.00 0.00 175.30 175.41 1ykk s GLU 176 N -2.66 1.84 -0.26 0.00 2.02 -1.26 -1.51 118.70 116.87 1ykk s GLU 176 Ca 0.25 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.89 1ykk s GLU 176 Cb -0.01 -1.78 0.06 0.00 0.10 0.00 0.00 34.13 32.50 1ykk s GLU 176 CO 0.18 -0.24 -0.11 0.08 0.02 0.00 0.00 175.26 175.19 1ykk s VAL 177 N 1.57 2.15 -1.41 2.63 1.01 -0.99 -4.79 120.40 120.58 1ykk s VAL 177 Ca 0.04 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.34 1ykk s VAL 177 Cb -0.13 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.04 1ykk s VAL 177 CO -0.08 -0.01 0.94 0.47 0.00 0.00 0.00 175.10 176.41 1ykk n ASP 178 N 4.44 -3.73 0.00 3.32 8.00 -1.26 -2.39 116.55 124.93 1ykk n ASP 178 Ca -0.14 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1ykk n ASP 178 Cb 0.42 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1ykk n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykk n GLY 179 N -1.67 1.32 3.76 0.44 0.00 -1.26 -5.02 105.19 102.76 1ykk n GLY 179 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1ykk n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykk s LYS 180 N -0.02 2.83 -0.04 1.61 2.20 -1.01 -5.08 119.74 120.23 1ykk s LYS 180 Ca 0.00 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 1ykk s LYS 180 Cb 0.00 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1ykk s LYS 180 CO 0.00 0.57 1.38 0.99 -0.36 0.00 0.00 175.35 177.93 1ykk s THR 181 N -1.36 3.86 0.11 3.43 2.01 -1.26 -2.34 115.64 120.09 1ykk s THR 181 Ca 0.28 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.51 1ykk s THR 181 Cb -0.12 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1ykk s THR 181 CO 0.21 -0.03 -0.12 0.00 -0.69 0.00 0.00 174.62 173.99 1ykk s ALA 182 N 2.74 1.32 -0.03 7.40 0.00 -0.57 -1.24 121.76 131.37 1ykk s ALA 182 Ca 0.62 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1ykk s ALA 182 Cb -0.29 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ykk s ALA 182 CO 0.24 0.02 -0.09 0.71 0.00 0.00 0.00 175.76 176.64 1ykk s TYR 183 N -2.39 1.04 -0.25 0.00 1.51 -0.33 -0.73 117.35 116.21 1ykk s TYR 183 Ca 0.08 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 1ykk s TYR 183 Cb -0.03 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1ykk s TYR 183 CO 0.01 -0.14 0.14 0.50 -1.11 0.00 0.00 175.55 174.96 1ykk s ARG 184 N 0.33 3.93 -0.33 -0.62 3.52 0.45 -1.19 118.95 125.04 1ykk s ARG 184 Ca -0.06 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1ykk s ARG 184 Cb -0.10 -3.49 0.10 0.00 -1.56 0.00 0.00 34.95 29.90 1ykk s ARG 184 CO 0.01 -0.05 0.10 0.12 -0.81 0.00 0.00 175.30 174.68 1ykk s PHE 185 N 1.32 2.30 -0.10 5.12 5.36 0.84 -1.85 117.98 130.98 1ykk s PHE 185 Ca 0.06 -2.17 -0.16 0.00 -0.96 0.00 0.00 56.93 53.71 1ykk s PHE 185 Cb -0.15 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1ykk s PHE 185 CO 0.06 -0.89 0.41 -0.51 -1.46 0.00 0.00 175.22 172.84 1ykk s ASP 186 N 1.27 6.65 -0.21 6.13 1.01 -1.26 -3.86 116.67 126.39 1ykk s ASP 186 Ca 0.11 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 54.08 1ykk s ASP 186 Cb -0.19 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1ykk s ASP 186 CO -0.18 0.11 0.04 -0.63 0.21 0.00 0.00 175.17 174.72 1ykk s ILE 187 N 0.16 4.29 -0.33 0.77 1.01 -0.26 -4.95 121.20 121.89 1ykk s ILE 187 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1ykk s ILE 187 Cb -0.15 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.40 1ykk s ILE 187 CO 0.09 0.40 0.09 -0.13 0.00 0.00 0.00 174.94 175.39 1ykk s ARG 188 N 1.09 2.58 0.23 2.79 0.52 -1.26 -0.16 118.95 124.74 1ykk s ARG 188 Ca 0.03 -1.20 -0.02 0.00 -0.52 0.00 0.00 55.73 54.02 1ykk s ARG 188 Cb -0.14 -3.42 0.25 0.00 0.52 0.00 0.00 34.95 32.16 1ykk s ARG 188 CO 0.03 -0.66 1.64 0.82 0.02 0.00 0.00 175.30 177.14 1ykk h ILE 189 N 6.23 1.28 -3.17 1.52 2.04 -1.49 0.21 117.51 124.12 1ykk h ILE 189 Ca -0.23 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.12 1ykk h ILE 189 Cb 1.08 1.36 -0.20 0.00 -0.74 0.00 0.00 36.82 38.32 1ykk h ILE 189 CO 0.59 0.45 -0.32 -1.58 0.00 0.00 0.00 178.15 177.29 1ykk s GLN 190 N -4.46 0.65 1.82 2.37 0.74 -1.26 -4.74 119.66 114.77 1ykk s GLN 190 Ca -0.08 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.05 1ykk s GLN 190 Cb 0.13 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1ykk s GLN 190 CO 0.82 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 1ykk n GLY 191 N 1.23 0.53 3.66 2.59 0.00 -1.26 -4.03 105.19 107.90 1ykk n GLY 191 Ca -0.22 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1ykk n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 192 N 0.00 4.14 -0.62 1.61 2.12 -1.26 -2.34 118.70 122.34 1ykk s GLU 192 Ca 0.00 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.65 1ykk s GLU 192 Cb 0.00 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1ykk s GLU 192 CO 0.00 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 1ykk n GLY 193 N 4.32 0.19 3.68 -1.50 0.00 -1.26 -4.96 105.19 105.66 1ykk n GLY 193 Ca 0.18 -0.61 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 1ykk n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykk n GLU 194 N -1.83 2.28 -2.11 1.61 2.13 -0.99 -4.63 120.64 117.10 1ykk n GLU 194 Ca -0.08 0.82 -0.41 0.00 0.66 0.00 0.00 57.16 58.15 1ykk n GLU 194 Cb 0.52 -2.63 -0.02 0.00 0.27 0.00 0.00 31.44 29.58 1ykk n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykk s THR 195 N 1.62 2.73 0.18 6.31 2.01 0.72 -4.96 115.64 124.25 1ykk s THR 195 Ca 0.81 0.72 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 1ykk s THR 195 Cb -0.65 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1ykk s THR 195 CO 0.39 0.16 1.29 -0.69 -0.69 0.00 0.00 174.62 175.09 1ykk s VAL 196 N -0.98 3.34 0.03 3.82 1.01 -1.26 -4.93 120.40 121.43 1ykk s VAL 196 Ca 0.50 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1ykk s VAL 196 Cb -0.40 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1ykk s VAL 196 CO 0.51 0.15 -0.26 -0.36 0.00 0.00 0.00 175.10 175.14 1ykk s PHE 197 N 0.28 2.33 0.26 5.22 0.08 -1.26 -4.69 117.98 120.20 1ykk s PHE 197 Ca 0.57 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 57.27 1ykk s PHE 197 Cb -0.35 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1ykk s PHE 197 CO 0.36 0.08 0.22 -0.06 -0.10 0.00 0.00 175.22 175.73 1ykk s PHE 198 N -0.75 3.10 -0.02 0.36 0.08 0.90 -4.98 117.98 116.67 1ykk s PHE 198 Ca 0.11 -0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.05 1ykk s PHE 198 Cb -0.10 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1ykk s PHE 198 CO 0.01 0.46 -0.08 0.34 -0.10 0.00 0.00 175.22 175.86 1ykk s ASP 199 N -3.88 1.01 0.00 1.36 3.68 -1.26 -4.22 116.67 113.36 1ykk s ASP 199 Ca 0.34 -0.15 0.00 0.00 2.13 0.00 0.00 52.55 54.87 1ykk s ASP 199 Cb -0.08 -0.22 0.00 0.00 -1.45 0.00 0.00 42.92 41.17 1ykk s ASP 199 CO 0.25 0.06 0.00 2.22 0.13 0.00 0.00 175.17 177.84