#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 4.96 -0.14 4.25 -1.09 -1.26 -5.05 121.20 122.87 1ykk s ILE 2 Ca 0.00 1.39 -0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1ykk s ILE 2 Cb 0.00 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1ykk s ILE 2 CO 0.00 0.07 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.04 1ykk s GLU 3 N 2.04 3.35 0.59 2.79 0.41 -1.26 -5.13 118.70 121.50 1ykk s GLU 3 Ca 0.33 -0.70 0.02 0.00 -0.41 0.00 0.00 54.97 54.21 1ykk s GLU 3 Cb -0.16 -2.64 0.11 0.00 -1.78 0.00 0.00 34.13 29.66 1ykk s GLU 3 CO 0.11 0.16 0.82 1.28 -0.49 0.00 0.00 175.26 177.14 1ykk n LEU 4 N 3.68 0.00 -4.75 1.80 4.32 -1.26 -5.05 117.00 115.74 1ykk n LEU 4 Ca -0.18 -1.89 -0.41 0.00 -0.02 0.00 0.00 56.01 53.50 1ykk n LEU 4 Cb 0.52 -0.51 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1ykk n LEU 4 CO 0.30 -0.86 1.00 -0.76 -1.22 0.00 0.00 177.39 175.85 1ykk s LEU 5 N 0.00 4.42 0.36 2.23 1.43 -1.26 -4.97 118.68 120.89 1ykk s LEU 5 Ca 0.56 2.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.96 1ykk s LEU 5 Cb -0.03 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1ykk s LEU 5 CO 0.37 -0.55 1.14 -2.84 0.23 0.00 0.00 176.35 174.70 1ykk s PRO 6 N -0.88 4.28 0.42 1.29 0.02 -1.26 -5.00 135.00 133.86 1ykk s PRO 6 Ca 0.54 1.82 -0.25 0.00 0.02 0.00 0.00 61.00 63.13 1ykk s PRO 6 Cb -0.39 -2.85 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 1ykk s PRO 6 CO 0.45 -0.12 1.21 -2.00 -0.33 0.00 0.00 177.00 176.22 1ykk s GLU 7 N -2.02 3.93 0.14 5.54 2.12 -1.26 -4.94 118.70 122.21 1ykk s GLU 7 Ca 0.53 1.93 -0.31 0.00 0.36 0.00 0.00 54.97 57.48 1ykk s GLU 7 Cb -0.31 -2.63 -0.11 0.00 0.26 0.00 0.00 34.13 31.35 1ykk s GLU 7 CO 0.39 -0.45 1.77 0.99 -0.54 0.00 0.00 175.26 177.42 1ykk s THR 8 N -1.39 2.46 0.53 -1.70 2.01 -1.26 -4.93 115.64 111.36 1ykk s THR 8 Ca 0.59 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.47 1ykk s THR 8 Cb -0.33 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1ykk s THR 8 CO 0.41 0.00 1.30 -2.84 -0.69 0.00 0.00 174.62 172.81 1ykk s PRO 9 N 2.25 3.26 0.57 4.92 0.02 -1.26 -5.01 135.00 139.75 1ykk s PRO 9 Ca 0.78 2.10 -0.13 0.00 0.02 0.00 0.00 61.00 63.77 1ykk s PRO 9 Cb -0.46 -2.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 1ykk s PRO 9 CO 0.35 -1.05 1.01 0.45 -0.33 0.00 0.00 177.00 177.42 1ykk s SER 10 N -1.09 6.40 0.06 2.53 0.15 -1.26 -5.09 113.70 115.40 1ykk s SER 10 Ca 0.70 1.48 -0.04 0.00 0.70 0.00 0.00 55.95 58.79 1ykk s SER 10 Cb -0.37 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.43 1ykk s SER 10 CO 0.44 -0.74 0.05 -1.10 1.20 0.00 0.00 173.24 173.09 1ykk s GLN 11 N -4.69 0.67 0.70 5.44 -1.52 -1.16 -4.91 119.66 114.19 1ykk s GLN 11 Ca 0.57 -1.07 -0.16 0.00 -1.95 0.00 0.00 55.36 52.75 1ykk s GLN 11 Cb -0.11 0.25 0.02 0.00 -0.22 0.00 0.00 33.01 32.95 1ykk s GLN 11 CO 0.44 -0.16 1.26 -0.08 -0.25 0.00 0.00 175.29 176.50 1ykk s THR 12 N -3.66 2.09 0.01 -0.19 -1.32 -1.21 -4.73 115.64 106.63 1ykk s THR 12 Ca 0.04 0.05 0.31 0.00 -1.21 0.00 0.00 61.69 60.88 1ykk s THR 12 Cb 0.05 -2.81 0.36 0.00 -1.51 0.00 0.00 72.50 68.59 1ykk s THR 12 CO -0.09 -0.02 1.90 0.00 -2.21 0.00 0.00 174.62 174.20 1ykk h ALA 13 N 0.04 1.00 0.00 11.08 0.00 -1.73 -3.50 119.26 126.16 1ykk h ALA 13 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ykk h ALA 13 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ykk h ALA 13 CO 0.51 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1ykk n GLY 14 N 0.24 -1.91 0.22 0.00 0.00 -1.26 -4.00 105.19 98.48 1ykk n GLY 14 Ca 0.01 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.77 1.61 0.13 -1.94 -3.17 132.00 127.87 1ykk h PRO 15 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1ykk h PRO 15 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1ykk h PRO 15 CO 0.00 0.26 0.34 0.66 -0.23 0.00 0.00 178.00 179.03 1ykk n TYR 16 N -3.95 2.50 -0.25 1.56 4.01 -1.26 -4.63 117.16 115.13 1ykk n TYR 16 Ca -0.02 -1.37 0.20 0.00 -0.16 0.00 0.00 57.90 56.55 1ykk n TYR 16 Cb 0.33 -0.73 0.51 0.00 -0.31 0.00 0.00 39.34 39.14 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 2.17 0.66 -0.18 -0.72 3.04 -1.68 -2.32 116.25 117.21 1ykk h VAL 17 Ca 0.35 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.87 1ykk h VAL 17 Cb 2.41 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1ykk h VAL 17 CO 0.80 0.07 0.00 0.45 -1.01 0.00 0.00 177.57 177.88 1ykk h HIS 18 N 0.40 0.26 0.00 3.17 3.86 -1.85 -1.66 115.15 119.33 1ykk h HIS 18 Ca 0.49 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.66 1ykk h HIS 18 Cb 1.22 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1ykk h HIS 18 CO -0.00 0.28 -0.12 -0.84 0.86 0.00 0.00 177.93 178.11 1ykk h ILE 19 N 0.26 0.69 0.00 2.45 3.07 -1.64 0.89 117.51 123.23 1ykk h ILE 19 Ca 0.06 -0.48 -0.15 0.00 1.55 0.00 0.00 64.86 65.84 1ykk h ILE 19 Cb 0.18 1.29 -0.03 0.00 -0.27 0.00 0.00 36.82 37.99 1ykk h ILE 19 CO 0.00 0.11 -1.92 0.61 -1.05 0.00 0.00 178.15 175.91 1ykk n GLY 20 N -0.85 -0.76 0.01 0.16 0.00 -1.05 -4.62 105.19 98.08 1ykk n GLY 20 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.34 0.46 -2.88 0.99 4.77 -0.65 -4.83 117.00 112.51 1ykk n LEU 21 Ca -0.15 -0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 54.99 1ykk n LEU 21 Cb 0.74 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.85 1ykk n LEU 21 CO 0.33 0.11 0.08 0.00 -1.33 0.00 0.00 177.39 176.58 1ykk n ALA 22 N -0.56 -0.18 -0.26 -1.18 0.00 0.28 -4.96 120.51 113.64 1ykk n ALA 22 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 53.44 51.44 1ykk n ALA 22 Cb 0.01 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.45 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 3.77 0.54 -0.56 0.00 4.07 -1.75 -1.88 115.31 119.51 1ykk h LEU 23 Ca -0.07 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1ykk h LEU 23 Cb 1.00 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 1ykk h LEU 23 CO 0.34 0.31 -0.03 -0.08 -1.08 0.00 0.00 178.44 177.90 1ykk h GLU 24 N 0.67 1.01 0.00 1.13 4.81 -1.88 -2.42 114.58 117.91 1ykk h GLU 24 Ca 0.37 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ykk h GLU 24 Cb 0.36 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ykk h GLU 24 CO -0.26 1.02 -0.08 0.00 -0.73 0.00 0.00 179.01 178.96 1ykk h ALA 25 N 0.95 1.04 -0.02 2.92 0.00 -1.84 -2.28 119.26 120.03 1ykk h ALA 25 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ykk h ALA 25 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ykk h ALA 25 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1ykk n ALA 26 N -2.15 2.55 -1.05 0.00 0.00 -0.73 -4.94 120.51 114.19 1ykk n ALA 26 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 1ykk n ALA 26 Cb 0.32 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 0.39 3.91 0.00 0.00 -0.86 -4.98 105.19 104.87 1ykk n GLY 27 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.14 6.43 0.29 1.61 0.01 -0.95 -5.04 114.94 115.15 1ykk s ASN 28 Ca 0.00 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 52.45 1ykk s ASN 28 Cb 0.00 -2.09 -0.11 0.00 0.41 0.00 0.00 41.25 39.46 1ykk s ASN 28 CO 0.00 -0.13 1.47 -2.16 -1.51 0.00 0.00 177.10 174.78 1ykk s PRO 29 N -3.41 4.22 0.59 -0.60 0.04 -1.26 -4.29 135.00 130.28 1ykk s PRO 29 Ca 0.42 2.41 -0.06 0.00 0.04 0.00 0.00 61.00 63.81 1ykk s PRO 29 Cb -0.11 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1ykk s PRO 29 CO 0.29 -0.46 0.90 0.95 0.04 0.00 0.00 177.00 178.71 1ykk s THR 30 N -0.32 3.69 0.61 1.26 -4.23 -1.26 -4.93 115.64 110.46 1ykk s THR 30 Ca 0.58 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1ykk s THR 30 Cb -0.44 -3.46 0.08 0.00 1.34 0.00 0.00 72.50 70.02 1ykk s THR 30 CO 0.49 -0.47 0.85 -0.13 -0.54 0.00 0.00 174.62 174.81 1ykk s ARG 31 N -4.98 2.16 0.12 3.99 0.52 -1.26 -5.03 118.95 114.47 1ykk s ARG 31 Ca 0.54 -1.16 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 1ykk s ARG 31 Cb -0.11 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 1ykk s ARG 31 CO 0.45 -1.00 1.66 -0.44 0.02 0.00 0.00 175.30 175.98 1ykk h ASP 32 N -0.09 -0.57 -3.28 0.23 3.32 -2.07 -3.41 116.42 110.55 1ykk h ASP 32 Ca -0.37 0.09 -0.66 0.00 0.02 0.00 0.00 57.03 56.11 1ykk h ASP 32 Cb 1.28 0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.78 1ykk h ASP 32 CO 0.44 -0.25 -0.79 -1.10 -1.72 0.00 0.00 179.24 175.82 1ykk s GLN 33 N -6.11 3.24 0.13 3.56 -0.21 -1.26 -5.12 119.66 113.90 1ykk s GLN 33 Ca -0.15 -0.72 0.08 0.00 0.02 0.00 0.00 55.36 54.59 1ykk s GLN 33 Cb 0.09 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1ykk s GLN 33 CO 0.67 -0.03 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.40 1ykk s GLU 34 N 0.94 1.18 -0.43 2.91 0.41 -1.26 -5.12 118.70 117.33 1ykk s GLU 34 Ca -0.03 -1.26 -0.16 0.00 -0.41 0.00 0.00 54.97 53.11 1ykk s GLU 34 Cb -0.15 -1.36 0.03 0.00 -1.78 0.00 0.00 34.13 30.87 1ykk s GLU 34 CO -0.02 0.30 0.39 0.42 -0.49 0.00 0.00 175.26 175.86 1ykk s ILE 35 N -1.53 5.16 0.00 -1.63 1.01 -1.26 -5.04 121.20 117.92 1ykk s ILE 35 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1ykk s ILE 35 Cb -0.08 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ykk s ILE 35 CO 0.05 -0.42 0.00 1.87 0.00 0.00 0.00 174.94 176.44 1ykk n TRP 36 N 5.41 0.00 1.33 3.97 -0.00 -1.26 -4.45 117.44 122.44 1ykk n TRP 36 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.52 1ykk n TRP 36 Cb 0.47 0.00 0.64 0.00 -0.00 0.00 0.00 31.31 32.41 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 -1.13 0.00 -4.38 5.87 6.94 -0.48 -2.78 115.26 119.31 1ykk n ASN 37 Ca 0.00 -0.63 -0.45 0.00 -0.02 0.00 0.00 54.58 53.48 1ykk n ASN 37 Cb 0.00 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 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 -2.05 3.78 -0.01 -3.83 6.06 -1.26 -1.50 118.95 120.14 1ykk s ARG 38 Ca 0.32 -2.45 -0.21 0.00 -2.50 0.00 0.00 55.73 50.89 1ykk s ARG 38 Cb 0.15 -4.65 -0.24 0.00 0.06 0.00 0.00 34.95 30.27 1ykk s ARG 38 CO 0.26 -1.45 1.07 -0.07 -2.50 0.00 0.00 175.30 172.60 1ykk h LEU 39 N 8.43 0.48 -9.12 -0.88 4.07 -1.41 -3.46 115.31 113.42 1ykk h LEU 39 Ca 0.16 -0.78 -0.67 0.00 0.08 0.00 0.00 57.88 56.67 1ykk h LEU 39 Cb 0.99 -0.15 -0.18 0.00 1.08 0.00 0.00 40.66 42.40 1ykk h LEU 39 CO 0.94 1.20 -0.65 0.00 -1.08 0.00 0.00 178.44 178.86 1ykk s ALA 40 N -3.12 3.14 0.17 1.53 0.00 -1.12 -1.52 121.76 120.85 1ykk s ALA 40 Ca -0.14 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1ykk s ALA 40 Cb 0.03 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 1ykk s ALA 40 CO 0.81 0.48 0.53 0.15 0.00 0.00 0.00 175.76 177.73 1ykk s LYS 41 N -0.52 3.88 0.53 0.00 1.02 0.30 -4.79 119.74 120.16 1ykk s LYS 41 Ca 0.08 0.37 0.48 0.00 0.02 0.00 0.00 55.97 56.92 1ykk s LYS 41 Cb -0.12 -2.82 1.66 0.00 -0.52 0.00 0.00 37.83 36.03 1ykk s LYS 41 CO 0.02 0.42 1.50 -2.30 -0.92 0.00 0.00 175.35 174.07 1ykk n PRO 42 N 0.43 -0.00 -0.83 -1.68 -0.02 -1.26 -0.79 135.00 130.85 1ykk n PRO 42 Ca -0.03 1.05 0.04 0.00 -2.02 0.00 0.00 63.50 62.54 1ykk n PRO 42 Cb 0.52 -2.40 0.35 0.00 -0.02 0.00 0.00 33.50 31.95 1ykk n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ykk n ASP 43 N -3.87 5.15 -4.81 2.55 5.75 -1.26 -4.97 116.55 115.09 1ykk n ASP 43 Ca 0.43 -2.88 -0.36 0.00 -0.01 0.00 0.00 54.79 51.97 1ykk n ASP 43 Cb 1.93 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 41.28 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 -2.60 3.35 0.54 2.12 0.00 0.03 -5.05 121.76 120.14 1ykk s ALA 44 Ca 0.49 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1ykk s ALA 44 Cb 0.38 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1ykk s ALA 44 CO 0.14 0.29 1.11 -1.25 0.00 0.00 0.00 175.76 176.04 1ykk s PRO 45 N -2.09 3.42 0.00 0.00 0.04 -1.26 -4.93 135.00 130.18 1ykk s PRO 45 Ca 0.46 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ykk s PRO 45 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ykk s PRO 45 CO 0.21 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1ykk n GLY 46 N -0.01 1.15 3.60 0.56 0.00 -1.26 -4.58 105.19 104.65 1ykk n GLY 46 Ca 0.11 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.48 3.76 -0.11 1.61 2.12 -1.26 -4.95 118.70 118.39 1ykk s GLU 47 Ca 0.00 0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 1ykk s GLU 47 Cb 0.00 -3.89 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1ykk s GLU 47 CO 0.00 -1.33 1.44 -1.01 -0.54 0.00 0.00 175.26 173.82 1ykk s HIS 48 N 4.38 2.45 0.21 5.30 3.76 -1.26 -1.73 115.29 128.40 1ykk s HIS 48 Ca 0.48 0.63 0.10 0.00 -0.15 0.00 0.00 55.06 56.11 1ykk s HIS 48 Cb -0.08 -3.70 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 1ykk s HIS 48 CO 0.30 -2.70 -0.18 0.96 -0.85 0.00 0.00 174.74 172.26 1ykk s ILE 49 N 3.73 2.03 -0.14 0.60 -4.36 0.11 -4.60 121.20 118.58 1ykk s ILE 49 Ca 0.63 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1ykk s ILE 49 Cb -0.27 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 1ykk s ILE 49 CO 0.22 -0.40 -0.12 -0.22 0.24 0.00 0.00 174.94 174.66 1ykk s LEU 50 N -3.08 2.75 -0.11 0.37 2.96 -0.77 -2.31 118.68 118.48 1ykk s LEU 50 Ca 0.22 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1ykk s LEU 50 Cb -0.04 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1ykk s LEU 50 CO 0.09 0.15 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.40 1ykk s LEU 51 N 0.43 2.81 0.04 -0.68 1.43 0.50 -1.86 118.68 121.35 1ykk s LEU 51 Ca -0.09 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1ykk s LEU 51 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1ykk s LEU 51 CO 0.05 0.21 -0.01 -1.48 0.23 0.00 0.00 176.35 175.35 1ykk s LEU 52 N 0.08 2.33 -0.08 1.79 0.05 -1.06 -0.67 118.68 121.12 1ykk s LEU 52 Ca -0.05 -0.83 -0.32 0.00 0.05 0.00 0.00 54.13 52.98 1ykk s LEU 52 Cb -0.14 0.25 0.13 0.00 -2.05 0.00 0.00 46.19 44.38 1ykk s LEU 52 CO 0.04 -0.53 1.29 -0.83 -0.55 0.00 0.00 176.35 175.77 1ykk s GLY 53 N -2.53 -0.38 0.10 -3.48 0.00 -1.15 -1.45 107.32 98.42 1ykk s GLY 53 Ca 0.01 1.00 0.08 0.00 0.00 0.00 0.00 44.72 45.82 1ykk s GLY 53 CO -0.08 0.25 -0.21 1.20 0.00 0.00 0.00 173.10 174.26 1ykk s GLN 54 N -2.37 1.17 -0.20 2.90 -0.21 -1.26 -1.73 119.66 117.96 1ykk s GLN 54 Ca 0.13 -1.15 -0.04 0.00 0.02 0.00 0.00 55.36 54.32 1ykk s GLN 54 Cb 0.03 -1.43 -0.02 0.00 1.00 0.00 0.00 33.01 32.60 1ykk s GLN 54 CO -0.04 0.34 -0.02 0.08 -2.12 0.00 0.00 175.29 173.53 1ykk s VAL 55 N -1.12 3.77 -0.05 1.09 1.01 -1.26 -1.40 120.40 122.44 1ykk s VAL 55 Ca 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1ykk s VAL 55 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1ykk s VAL 55 CO 0.04 0.43 -0.07 -0.31 0.00 0.00 0.00 175.10 175.19 1ykk s TYR 56 N 1.07 2.92 0.00 5.22 1.51 0.77 -0.40 117.35 128.43 1ykk s TYR 56 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1ykk s TYR 56 Cb -0.14 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1ykk s TYR 56 CO 0.01 0.34 0.00 -0.40 -1.11 0.00 0.00 175.55 174.39 1ykk n ASP 57 N 2.02 0.00 0.00 2.29 5.68 0.02 -1.21 116.55 125.35 1ykk n ASP 57 Ca -0.17 -0.88 0.07 0.00 -0.50 0.00 0.00 54.79 53.31 1ykk n ASP 57 Cb 0.53 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.82 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 5.00 -1.01 0.86 6.12 0.00 -1.25 -2.20 105.19 112.70 1ykk n GLY 58 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.52 2.91 0.00 1.61 3.02 -1.26 -4.76 115.26 115.25 1ykk n ASN 59 Ca 0.03 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1ykk n ASN 59 Cb 0.17 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.09 0.47 3.88 7.41 0.00 -0.93 -5.04 105.19 112.06 1ykk n GLY 60 Ca 0.14 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 3.51 0.28 1.61 3.76 -1.26 -4.80 115.29 116.39 1ykk s HIS 61 Ca 0.00 0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 55.36 1ykk s HIS 61 Cb 0.00 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.45 1ykk s HIS 61 CO 0.00 0.43 1.31 -0.51 -0.85 0.00 0.00 174.74 175.12 1ykk s LEU 62 N -2.35 4.43 -0.55 0.89 1.43 -1.26 -0.80 118.68 120.46 1ykk s LEU 62 Ca 0.39 2.58 -0.16 0.00 -1.03 0.00 0.00 54.13 55.90 1ykk s LEU 62 Cb -0.13 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1ykk s LEU 62 CO 0.21 -0.52 0.53 -0.69 0.23 0.00 0.00 176.35 176.11 1ykk s VAL 63 N -0.66 5.18 -0.95 -1.59 1.01 0.46 -4.87 120.40 118.97 1ykk s VAL 63 Ca 0.52 -1.47 0.10 0.00 0.00 0.00 0.00 61.98 61.13 1ykk s VAL 63 Cb -0.39 -4.36 0.46 0.00 0.00 0.00 0.00 36.38 32.10 1ykk s VAL 63 CO 0.47 -0.91 1.27 0.54 0.00 0.00 0.00 175.10 176.47 1ykk n ARG 64 N 5.34 2.97 -0.38 2.72 1.74 -1.26 -3.99 116.66 123.80 1ykk n ARG 64 Ca -0.13 -1.80 0.02 0.00 -0.77 0.00 0.00 57.85 55.17 1ykk n ARG 64 Cb 0.40 -1.79 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.49 0.46 -4.81 0.55 5.68 -1.22 -3.32 116.55 114.38 1ykk n ASP 65 Ca 0.16 -2.12 -0.32 0.00 -0.50 0.00 0.00 54.79 52.01 1ykk n ASP 65 Cb 0.69 -0.22 0.03 0.00 -1.14 0.00 0.00 41.12 40.48 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 -1.26 5.62 -0.06 -1.12 1.04 -1.24 -4.63 113.70 112.05 1ykk s SER 66 Ca 0.06 1.71 -0.00 0.00 0.48 0.00 0.00 55.95 58.20 1ykk s SER 66 Cb 0.05 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1ykk s SER 66 CO 0.01 -1.28 -0.02 0.12 0.98 0.00 0.00 173.24 173.05 1ykk s PHE 67 N -2.75 0.68 -0.03 5.02 5.36 0.11 -2.68 117.98 123.70 1ykk s PHE 67 Ca 0.61 -0.18 0.07 0.00 -0.96 0.00 0.00 56.93 56.47 1ykk s PHE 67 Cb -0.15 -0.71 -0.02 0.00 -0.34 0.00 0.00 43.02 41.80 1ykk s PHE 67 CO 0.45 -0.26 -0.25 -0.51 -1.46 0.00 0.00 175.22 173.19 1ykk s LEU 68 N 1.45 2.05 -0.11 6.12 1.02 0.04 -0.40 118.68 128.84 1ykk s LEU 68 Ca -0.03 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.68 1ykk s LEU 68 Cb -0.13 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.75 1ykk s LEU 68 CO -0.03 0.29 -0.22 -1.61 0.02 0.00 0.00 176.35 174.81 1ykk s GLU 69 N -0.47 3.10 0.03 1.70 2.02 -0.41 -0.92 118.70 123.74 1ykk s GLU 69 Ca 0.06 -0.84 0.06 0.00 0.02 0.00 0.00 54.97 54.27 1ykk s GLU 69 Cb -0.11 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 1ykk s GLU 69 CO 0.00 0.14 -0.15 0.14 0.02 0.00 0.00 175.26 175.41 1ykk s VAL 70 N 0.45 2.99 -0.10 2.63 -7.23 -0.40 -0.78 120.40 117.96 1ykk s VAL 70 Ca -0.15 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1ykk s VAL 70 Cb -0.17 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1ykk s VAL 70 CO 0.06 0.37 0.03 0.86 -0.31 0.00 0.00 175.10 176.11 1ykk s TRP 71 N -0.92 0.54 0.07 2.82 -0.11 0.76 -2.74 118.94 119.35 1ykk s TRP 71 Ca 0.15 -0.22 -0.05 0.00 1.22 0.00 0.00 56.10 57.20 1ykk s TRP 71 Cb -0.11 -0.76 -0.02 0.00 -1.50 0.00 0.00 33.47 31.08 1ykk s TRP 71 CO 0.05 -0.37 0.08 1.14 -4.62 0.00 0.00 176.95 173.23 1ykk s GLN 72 N 2.01 0.72 0.64 5.86 -2.07 -0.79 -0.11 119.66 125.91 1ykk s GLN 72 Ca 0.04 -1.05 -0.08 0.00 -1.82 0.00 0.00 55.36 52.45 1ykk s GLN 72 Cb -0.14 0.27 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1ykk s GLN 72 CO -0.06 -0.19 0.97 0.00 -1.32 0.00 0.00 175.29 174.70 1ykk s ALA 73 N -3.76 3.16 0.92 2.60 0.00 -1.26 -4.56 121.76 118.86 1ykk s ALA 73 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1ykk s ALA 73 Cb 0.06 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1ykk s ALA 73 CO -0.10 -0.95 0.00 -0.40 0.00 0.00 0.00 175.76 174.31 1ykk n ASP 74 N -2.74 0.00 0.27 0.00 5.68 -0.19 -4.36 116.55 115.21 1ykk n ASP 74 Ca 0.05 -0.86 0.13 0.00 -0.50 0.00 0.00 54.79 53.62 1ykk n ASP 74 Cb 0.58 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.33 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 -1.81 1.32 -0.13 2.12 0.00 -1.81 0.46 119.26 119.42 1ykk h ALA 75 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ykk h ALA 75 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ykk h ALA 75 CO 0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1ykk n ASN 76 N -3.67 2.27 -0.79 0.00 3.02 -1.26 -3.92 115.26 110.91 1ykk n ASN 76 Ca -0.02 -1.77 -0.05 0.00 -0.03 0.00 0.00 54.58 52.71 1ykk n ASN 76 Cb 0.21 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.27 0.38 3.26 7.41 0.00 -0.72 -4.77 105.19 112.01 1ykk n GLY 77 Ca 0.17 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.67 1.90 -0.27 1.61 2.02 -1.26 -4.66 118.70 113.37 1ykk s GLU 78 Ca 0.05 -0.83 -0.21 0.00 0.02 0.00 0.00 54.97 54.00 1ykk s GLU 78 Cb -0.02 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 1ykk s GLU 78 CO 0.07 0.49 0.68 0.71 0.02 0.00 0.00 175.26 177.22 1ykk s TYR 79 N -0.51 3.26 -0.77 1.61 1.51 -1.26 -1.02 117.35 120.16 1ykk s TYR 79 Ca 0.08 0.80 -0.17 0.00 -1.01 0.00 0.00 57.07 56.77 1ykk s TYR 79 Cb -0.09 -2.96 0.15 0.00 -0.11 0.00 0.00 41.96 38.95 1ykk s TYR 79 CO -0.01 -0.40 0.84 -0.65 -1.11 0.00 0.00 175.55 174.22 1ykk s GLN 80 N 2.64 3.39 0.24 -0.62 -1.52 -1.26 -4.90 119.66 117.62 1ykk s GLN 80 Ca 0.28 -1.85 0.10 0.00 -1.95 0.00 0.00 55.36 51.94 1ykk s GLN 80 Cb -0.15 -4.51 0.19 0.00 -0.22 0.00 0.00 33.01 28.33 1ykk s GLN 80 CO 0.10 -1.51 1.51 0.38 -0.25 0.00 0.00 175.29 175.51 1ykk h ASP 81 N 8.60 0.00 -0.75 5.90 2.03 -1.98 -3.23 116.42 126.98 1ykk h ASP 81 Ca -0.03 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 55.86 1ykk h ASP 81 Cb 1.05 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 1ykk h ASP 81 CO 0.98 0.71 1.13 0.00 -1.03 0.00 0.00 179.24 181.03 1ykk s ALA 82 N -3.29 2.08 -0.03 4.15 0.00 -1.26 -4.95 121.76 118.47 1ykk s ALA 82 Ca -0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.69 1ykk s ALA 82 Cb 0.11 -4.59 -0.05 0.00 0.00 0.00 0.00 23.12 18.59 1ykk s ALA 82 CO 0.77 -4.51 1.45 -0.47 0.00 0.00 0.00 175.76 172.99 1ykk s TYR 83 N 8.65 2.65 -0.23 0.00 5.04 -1.26 -5.00 117.35 127.20 1ykk s TYR 83 Ca 0.63 0.69 -0.17 0.00 -2.44 0.00 0.00 57.07 55.78 1ykk s TYR 83 Cb -0.03 -3.71 0.06 0.00 0.35 0.00 0.00 41.96 38.64 1ykk s TYR 83 CO 0.02 -2.70 0.58 1.21 -1.34 0.00 0.00 175.55 173.32 1ykk s ASN 84 N 2.22 -0.67 0.22 4.32 3.84 -1.26 -5.06 114.94 118.55 1ykk s ASN 84 Ca 0.65 1.21 0.24 0.00 0.21 0.00 0.00 52.86 55.17 1ykk s ASN 84 Cb -0.31 1.17 0.92 0.00 -0.55 0.00 0.00 41.25 42.48 1ykk s ASN 84 CO 0.26 -0.21 1.72 0.18 -2.79 0.00 0.00 177.10 176.26 1ykk n LEU 85 N 3.38 0.64 0.17 3.21 4.77 -1.26 -2.75 117.00 125.15 1ykk n LEU 85 Ca -0.17 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1ykk n LEU 85 Cb 0.56 -0.50 0.30 0.00 -2.33 0.00 0.00 43.42 41.46 1ykk n LEU 85 CO 0.05 -0.41 0.85 -0.33 -1.33 0.00 0.00 177.39 176.22 1ykk h GLU 86 N 0.00 0.00 -7.04 3.23 5.08 -2.00 -3.46 114.58 110.39 1ykk h GLU 86 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1ykk h GLU 86 Cb 0.46 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.78 1ykk h GLU 86 CO 0.00 0.00 0.45 -0.80 -1.00 0.00 0.00 179.01 177.66 1ykk s ASN 87 N -5.39 6.02 0.27 1.42 0.01 -1.11 -4.96 114.94 111.20 1ykk s ASN 87 Ca 0.08 2.19 0.07 0.00 -0.71 0.00 0.00 52.86 54.50 1ykk s ASN 87 Cb 0.09 -2.59 0.38 0.00 0.41 0.00 0.00 41.25 39.53 1ykk s ASN 87 CO 0.63 -1.02 1.64 0.00 -1.51 0.00 0.00 177.10 176.84 1ykk h ALA 88 N 1.64 1.00 -3.69 0.60 0.00 -1.89 -3.44 119.26 113.47 1ykk h ALA 88 Ca -0.50 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 53.70 1ykk h ALA 88 Cb 1.25 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1ykk h ALA 88 CO 0.59 0.66 -0.71 0.12 0.00 0.00 0.00 179.25 179.91 1ykk s PHE 89 N -3.91 -0.01 -0.08 0.00 5.36 -1.26 -0.54 117.98 117.54 1ykk s PHE 89 Ca -0.04 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 55.98 1ykk s PHE 89 Cb 0.13 -0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1ykk s PHE 89 CO 0.78 -0.01 -0.12 -0.80 -1.46 0.00 0.00 175.22 173.61 1ykk s ASN 90 N 0.08 1.90 0.39 6.13 0.01 -0.57 -4.98 114.94 117.90 1ykk s ASN 90 Ca -0.01 -0.31 0.28 0.00 -0.71 0.00 0.00 52.86 52.11 1ykk s ASN 90 Cb -0.01 -0.85 1.15 0.00 0.41 0.00 0.00 41.25 41.95 1ykk s ASN 90 CO -0.00 0.01 1.83 0.28 -1.51 0.00 0.00 177.10 177.71 1ykk h SER 91 N 7.21 0.00 -2.75 -1.22 0.02 -1.80 -3.44 113.55 111.57 1ykk h SER 91 Ca -0.31 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.06 1ykk h SER 91 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 1ykk h SER 91 CO 0.47 0.00 -0.60 0.12 -1.14 0.00 0.00 176.83 175.67 1ykk s PHE 92 N -3.47 3.01 -0.14 3.45 5.36 -1.26 -1.89 117.98 123.05 1ykk s PHE 92 Ca 0.03 -0.07 -0.32 0.00 -0.96 0.00 0.00 56.93 55.61 1ykk s PHE 92 Cb 0.09 -1.45 0.13 0.00 -0.34 0.00 0.00 43.02 41.45 1ykk s PHE 92 CO 0.46 0.52 1.09 0.20 -1.46 0.00 0.00 175.22 176.04 1ykk s GLY 93 N -3.07 -0.31 0.02 13.12 0.00 -1.11 -4.78 107.32 111.20 1ykk s GLY 93 Ca 0.30 1.60 0.06 0.00 0.00 0.00 0.00 44.72 46.67 1ykk s GLY 93 CO 0.21 0.60 -0.18 0.50 0.00 0.00 0.00 173.10 174.24 1ykk s ARG 94 N -2.30 1.27 0.19 2.90 0.52 -1.12 -1.27 118.95 119.14 1ykk s ARG 94 Ca 0.06 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 1ykk s ARG 94 Cb -0.01 -1.30 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 1ykk s ARG 94 CO -0.05 0.34 0.19 -0.08 0.02 0.00 0.00 175.30 175.72 1ykk s THR 95 N -0.65 0.03 0.16 0.02 -1.32 -0.10 -1.38 115.64 112.41 1ykk s THR 95 Ca 0.06 -1.80 -0.20 0.00 -1.21 0.00 0.00 61.69 58.53 1ykk s THR 95 Cb -0.08 -2.26 0.05 0.00 -1.51 0.00 0.00 72.50 68.70 1ykk s THR 95 CO 0.01 -0.15 0.53 0.00 -2.21 0.00 0.00 174.62 172.81 1ykk s ALA 96 N -4.09 -1.28 -0.15 11.08 0.00 -1.26 -0.78 121.76 125.28 1ykk s ALA 96 Ca 0.30 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 1ykk s ALA 96 Cb 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1ykk s ALA 96 CO 0.08 -0.75 -0.08 0.95 0.00 0.00 0.00 175.76 175.95 1ykk s THR 97 N -3.79 3.42 0.53 0.00 -4.23 -1.09 -4.25 115.64 106.23 1ykk s THR 97 Ca 0.03 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1ykk s THR 97 Cb -0.00 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.38 1ykk s THR 97 CO -0.10 0.50 0.21 0.35 -0.54 0.00 0.00 174.62 175.03 1ykk n THR 98 N 3.71 0.00 0.18 3.99 -2.24 0.13 -3.39 114.28 116.66 1ykk n THR 98 Ca -0.18 -2.31 0.06 0.00 -2.27 0.00 0.00 64.05 59.35 1ykk n THR 98 Cb 0.52 0.23 0.27 0.00 -2.10 0.00 0.00 70.33 69.26 1ykk n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykk h PHE 99 N 0.97 0.00 0.00 4.78 0.04 -1.93 -2.90 116.94 117.89 1ykk h PHE 99 Ca -0.39 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.24 1ykk h PHE 99 Cb 1.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.41 1ykk h PHE 99 CO 0.00 0.37 -1.00 -0.44 -0.60 0.00 0.00 178.31 176.64 1ykk h ASP 100 N 0.00 0.00 -2.40 2.17 5.19 -1.96 -3.42 116.42 116.01 1ykk h ASP 100 Ca -0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 1ykk h ASP 100 Cb 1.00 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.15 1ykk h ASP 100 CO 0.05 0.57 -0.76 0.00 -3.12 0.00 0.00 179.24 175.98 1ykk s ALA 101 N -2.92 0.31 -2.00 3.45 0.00 -1.16 -5.01 121.76 114.42 1ykk s ALA 101 Ca 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 51.96 50.86 1ykk s ALA 101 Cb 0.08 -1.70 0.83 0.00 0.00 0.00 0.00 23.12 22.33 1ykk s ALA 101 CO 0.78 -1.96 1.30 0.41 0.00 0.00 0.00 175.76 176.29 1ykk n GLY 102 N 4.55 -0.65 3.31 0.00 0.00 -1.11 0.21 105.19 111.51 1ykk n GLY 102 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 2.50 0.11 1.61 2.12 -1.26 -4.56 118.70 117.22 1ykk s GLU 103 Ca 0.21 -0.87 -0.05 0.00 0.36 0.00 0.00 54.97 54.62 1ykk s GLU 103 Cb 0.10 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 32.24 1ykk s GLU 103 CO 0.16 0.44 0.35 1.67 -0.54 0.00 0.00 175.26 177.34 1ykk s TRP 104 N -0.30 3.50 0.10 5.30 1.48 -0.71 -4.70 118.94 123.61 1ykk s TRP 104 Ca 0.01 0.55 0.08 0.00 -1.06 0.00 0.00 56.10 55.68 1ykk s TRP 104 Cb -0.13 -2.00 -0.03 0.00 -1.16 0.00 0.00 33.47 30.15 1ykk s TRP 104 CO 0.02 0.47 -0.20 0.95 -4.06 0.00 0.00 176.95 174.14 1ykk s THR 105 N -1.58 1.62 -0.13 0.66 -4.23 -1.26 -2.96 115.64 107.76 1ykk s THR 105 Ca 0.38 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1ykk s THR 105 Cb -0.12 -1.48 0.06 0.00 1.34 0.00 0.00 72.50 72.29 1ykk s THR 105 CO 0.23 -0.09 0.27 -0.22 -0.54 0.00 0.00 174.62 174.27 1ykk s LEU 106 N -1.89 -0.06 -0.34 4.79 2.96 0.16 -4.81 118.68 119.48 1ykk s LEU 106 Ca 0.05 0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1ykk s LEU 106 Cb -0.10 0.76 0.01 0.00 0.50 0.00 0.00 46.19 47.37 1ykk s LEU 106 CO 0.04 -0.21 0.18 -1.00 -1.32 0.00 0.00 176.35 174.03 1ykk s HIS 107 N 1.99 3.21 0.06 5.38 3.76 -0.56 -0.37 115.29 128.76 1ykk s HIS 107 Ca -0.03 -0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 54.06 1ykk s HIS 107 Cb -0.11 -2.39 0.00 0.00 1.11 0.00 0.00 32.58 31.19 1ykk s HIS 107 CO -0.09 -0.57 0.09 -2.37 -0.85 0.00 0.00 174.74 170.96 1ykk n THR 108 N 4.98 0.00 -4.31 1.30 5.66 -0.98 -1.24 114.28 119.69 1ykk n THR 108 Ca -0.13 -0.27 -0.23 0.00 -3.05 0.00 0.00 64.05 60.37 1ykk n THR 108 Cb 0.47 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.36 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 -2.57 3.29 -0.05 1.08 -7.23 -1.26 -0.71 120.40 112.95 1ykk s VAL 109 Ca 0.04 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1ykk s VAL 109 Cb -0.00 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1ykk s VAL 109 CO 0.03 -0.37 1.35 -0.75 -0.31 0.00 0.00 175.10 175.05 1ykk s LYS 110 N -3.66 4.28 0.60 4.82 2.20 -0.71 -4.84 119.74 122.43 1ykk s LYS 110 Ca 0.31 1.86 -0.19 0.00 -0.36 0.00 0.00 55.97 57.59 1ykk s LYS 110 Cb -0.06 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1ykk s LYS 110 CO 0.19 -0.60 1.24 -1.25 -0.36 0.00 0.00 175.35 174.57 1ykk s PRO 111 N 2.74 2.91 0.82 4.03 0.04 -1.26 -4.22 135.00 140.05 1ykk s PRO 111 Ca 0.61 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.47 1ykk s PRO 111 Cb -0.28 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.50 1ykk s PRO 111 CO 0.23 -1.28 1.12 0.41 0.04 0.00 0.00 177.00 177.52 1ykk n GLY 112 N 0.62 -0.61 3.75 0.56 0.00 0.15 -4.73 105.19 104.92 1ykk n GLY 112 Ca 0.14 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1ykk n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykk s VAL 113 N -3.38 4.65 0.04 1.61 1.01 -1.26 -4.55 120.40 118.52 1ykk s VAL 113 Ca 0.67 1.68 0.06 0.00 0.00 0.00 0.00 61.98 64.39 1ykk s VAL 113 Cb -0.03 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1ykk s VAL 113 CO 0.46 0.38 -0.17 0.68 0.00 0.00 0.00 175.10 176.45 1ykk s VAL 114 N -0.22 1.36 0.33 2.92 -7.23 -1.26 -4.48 120.40 111.83 1ykk s VAL 114 Ca 0.39 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 1ykk s VAL 114 Cb -0.21 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 1ykk s VAL 114 CO 0.24 0.12 0.65 0.20 -0.31 0.00 0.00 175.10 176.00 1ykk s ASN 115 N -1.09 6.50 0.69 4.85 0.01 -1.26 -0.99 114.94 123.63 1ykk s ASN 115 Ca 0.04 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 1ykk s ASN 115 Cb -0.08 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1ykk s ASN 115 CO 0.01 -0.27 0.00 -0.46 -1.51 0.00 0.00 177.10 174.87 1ykk n ASN 116 N -1.01 0.00 0.15 -1.22 6.94 -0.41 -4.87 115.26 114.83 1ykk n ASN 116 Ca 0.00 -0.73 0.01 0.00 -0.02 0.00 0.00 54.58 53.84 1ykk n ASN 116 Cb 0.54 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 38.26 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 -1.87 1.27 -0.16 -2.53 0.00 -1.99 -2.90 119.26 111.09 1ykk h ALA 117 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ykk h ALA 117 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ykk h ALA 117 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1ykk n ALA 118 N -2.47 2.51 -0.87 0.00 0.00 -1.26 -4.92 120.51 113.51 1ykk n ALA 118 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ykk n ALA 118 Cb 0.44 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.93 1.09 3.70 0.00 0.00 -1.10 -5.03 105.19 104.79 1ykk n GLY 119 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.80 4.87 0.10 1.61 1.01 -1.26 -4.74 120.40 118.18 1ykk s VAL 120 Ca 0.00 1.90 -0.31 0.00 0.00 0.00 0.00 61.98 63.57 1ykk s VAL 120 Cb 0.00 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1ykk s VAL 120 CO 0.00 0.11 1.52 -2.16 0.00 0.00 0.00 175.10 174.57 1ykk s PRO 121 N 1.45 4.25 0.12 2.72 0.04 -1.26 -1.29 135.00 141.02 1ykk s PRO 121 Ca 0.47 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 1ykk s PRO 121 Cb -0.19 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 1ykk s PRO 121 CO 0.21 -0.59 0.47 -1.64 0.04 0.00 0.00 177.00 175.49 1ykk s MET 122 N 1.74 3.84 0.67 4.56 -1.94 -0.16 -4.49 119.30 123.51 1ykk s MET 122 Ca 0.69 0.29 -0.16 0.00 -1.71 0.00 0.00 55.69 54.80 1ykk s MET 122 Cb -0.39 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.52 1ykk s MET 122 CO 0.31 0.50 1.17 0.00 -0.01 0.00 0.00 175.02 176.99 1ykk s ALA 123 N -1.47 2.34 -0.13 3.03 0.00 -1.26 -3.99 121.76 120.28 1ykk s ALA 123 Ca 0.36 0.79 -0.35 0.00 0.00 0.00 0.00 51.96 52.76 1ykk s ALA 123 Cb -0.14 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 1ykk s ALA 123 CO 0.19 -1.49 1.89 -2.30 0.00 0.00 0.00 175.76 174.06 1ykk n PRO 124 N -2.34 1.98 -4.09 0.00 -0.02 -1.26 -4.86 135.00 124.40 1ykk n PRO 124 Ca 0.12 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1ykk n PRO 124 Cb 0.51 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.33 0.59 -0.10 6.00 -3.43 -1.26 -4.17 115.29 117.25 1ykk s HIS 125 Ca 0.95 -1.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.15 1ykk s HIS 125 Cb -0.74 -0.39 0.01 0.00 -1.43 0.00 0.00 32.58 30.03 1ykk s HIS 125 CO 0.53 -0.44 -0.17 0.42 -2.00 0.00 0.00 174.74 173.09 1ykk s ILE 126 N -3.95 1.56 -0.19 -5.38 1.01 -0.78 -4.56 121.20 108.90 1ykk s ILE 126 Ca 0.12 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 1ykk s ILE 126 Cb 0.08 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1ykk s ILE 126 CO -0.06 0.45 0.78 0.20 0.00 0.00 0.00 174.94 176.30 1ykk s ASN 127 N 0.79 6.86 -0.05 3.58 0.01 0.84 -1.10 114.94 125.87 1ykk s ASN 127 Ca -0.10 1.06 0.06 0.00 -0.71 0.00 0.00 52.86 53.17 1ykk s ASN 127 Cb -0.16 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1ykk s ASN 127 CO 0.01 -0.38 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.34 1ykk s ILE 128 N 2.20 2.11 -0.14 0.60 1.01 -0.42 -0.17 121.20 126.39 1ykk s ILE 128 Ca 0.35 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1ykk s ILE 128 Cb -0.16 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1ykk s ILE 128 CO 0.11 0.57 -0.21 -0.44 0.00 0.00 0.00 174.94 174.97 1ykk s SER 129 N -0.31 3.21 -0.19 3.58 0.01 0.04 -0.79 113.70 119.24 1ykk s SER 129 Ca 0.01 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 1ykk s SER 129 Cb -0.13 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.63 1ykk s SER 129 CO 0.02 0.09 -0.04 -0.22 0.41 0.00 0.00 173.24 173.50 1ykk s LEU 130 N 0.77 3.04 0.09 2.44 2.96 0.52 -1.29 118.68 127.20 1ykk s LEU 130 Ca -0.08 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1ykk s LEU 130 Cb -0.16 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1ykk s LEU 130 CO -0.01 0.07 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.50 1ykk s PHE 131 N 0.97 1.97 0.00 5.38 0.40 0.47 -1.99 117.98 125.17 1ykk s PHE 131 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1ykk s PHE 131 Cb -0.15 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.28 1ykk s PHE 131 CO 0.01 0.21 0.00 0.00 0.70 0.00 0.00 175.22 176.13 1ykk n ALA 132 N 1.27 0.00 -1.77 5.36 0.00 -1.26 0.10 120.51 124.21 1ykk n ALA 132 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1ykk n ALA 132 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1ykk n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ykk s ARG 133 N -2.00 4.36 0.00 0.00 1.70 -1.25 -2.42 118.95 119.34 1ykk s ARG 133 Ca 0.00 2.08 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1ykk s ARG 133 Cb 0.00 -3.03 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 1ykk s ARG 133 CO 0.00 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1ykk n GLY 134 N 0.86 2.33 3.28 3.88 0.00 -1.26 -4.98 105.19 109.30 1ykk n GLY 134 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.32 4.43 0.15 -0.61 1.01 -1.01 -4.95 121.20 117.90 1ykk s ILE 135 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 1ykk s ILE 135 Cb 0.00 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1ykk s ILE 135 CO 0.00 -0.60 1.60 0.78 0.00 0.00 0.00 174.94 176.72 1ykk h ASN 136 N 8.50 0.87 -3.50 3.58 2.35 -1.89 -3.36 115.58 122.12 1ykk h ASN 136 Ca -0.24 -0.31 -0.44 0.00 -0.55 0.00 0.00 56.30 54.77 1ykk h ASN 136 Cb 1.09 -0.23 -0.33 0.00 0.05 0.00 0.00 38.32 38.89 1ykk h ASN 136 CO 0.81 0.97 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.27 1ykk s ILE 137 N -5.01 0.72 0.56 2.81 2.07 -1.26 -3.00 121.20 118.08 1ykk s ILE 137 Ca -0.12 -0.25 -0.19 0.00 -1.41 0.00 0.00 60.65 58.68 1ykk s ILE 137 Cb 0.12 -0.69 -0.07 0.00 0.13 0.00 0.00 42.46 41.94 1ykk s ILE 137 CO 0.82 0.26 0.79 0.00 -1.91 0.00 0.00 174.94 174.90 1ykk n HIS 138 N 3.86 0.25 -3.76 3.50 1.44 -1.26 -5.00 115.22 114.25 1ykk n HIS 138 Ca -0.24 0.46 -0.35 0.00 -2.01 0.00 0.00 57.72 55.58 1ykk n HIS 138 Cb 0.52 -2.07 -0.08 0.00 0.12 0.00 0.00 29.99 28.47 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 -0.63 4.24 -0.14 2.39 1.43 -0.84 -4.90 118.68 120.23 1ykk s LEU 139 Ca 0.71 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1ykk s LEU 139 Cb -0.45 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1ykk s LEU 139 CO 0.51 0.22 0.10 -1.00 0.23 0.00 0.00 176.35 176.42 1ykk s HIS 140 N 0.13 3.44 0.31 0.29 3.76 -1.26 -0.36 115.29 121.61 1ykk s HIS 140 Ca 0.09 0.37 -0.07 0.00 -0.15 0.00 0.00 55.06 55.31 1ykk s HIS 140 Cb -0.11 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1ykk s HIS 140 CO -0.01 0.54 0.49 -0.08 -0.85 0.00 0.00 174.74 174.83 1ykk s THR 141 N -0.57 0.00 0.01 1.30 -1.32 0.03 -0.51 115.64 114.58 1ykk s THR 141 Ca 0.12 -1.50 0.03 0.00 -1.21 0.00 0.00 61.69 59.13 1ykk s THR 141 Cb -0.12 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 1ykk s THR 141 CO 0.02 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.20 1ykk s ARG 142 N -3.31 0.72 -0.31 7.08 0.52 -1.26 -1.30 118.95 121.09 1ykk s ARG 142 Ca 0.27 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 54.91 1ykk s ARG 142 Cb -0.01 -0.67 0.01 0.00 0.52 0.00 0.00 34.95 34.80 1ykk s ARG 142 CO 0.16 0.17 0.11 -1.17 0.02 0.00 0.00 175.30 174.59 1ykk s LEU 143 N -0.67 4.04 0.36 2.53 0.20 -0.26 -4.72 118.68 120.17 1ykk s LEU 143 Ca 0.01 -0.73 0.08 0.00 0.69 0.00 0.00 54.13 54.18 1ykk s LEU 143 Cb -0.06 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1ykk s LEU 143 CO 0.00 -0.22 0.32 -0.31 -0.29 0.00 0.00 176.35 175.85 1ykk s TYR 144 N 1.53 2.85 0.01 5.38 1.51 0.11 -1.87 117.35 126.86 1ykk s TYR 144 Ca 0.03 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1ykk s TYR 144 Cb -0.18 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1ykk s TYR 144 CO 0.04 0.09 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.36 1ykk s PHE 145 N -2.35 2.66 0.11 2.71 0.40 -1.26 0.25 117.98 120.51 1ykk s PHE 145 Ca 0.43 -0.19 0.27 0.00 -0.60 0.00 0.00 56.93 56.84 1ykk s PHE 145 Cb -0.05 -1.54 1.06 0.00 0.51 0.00 0.00 43.02 42.99 1ykk s PHE 145 CO 0.27 0.25 1.88 0.38 0.70 0.00 0.00 175.22 178.70 1ykk h ASP 146 N 4.78 0.00 -0.20 1.36 2.03 -1.77 -3.00 116.42 119.61 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 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1ykk h ASP 146 CO 0.50 0.15 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 1ykk n ASP 147 N -3.30 1.45 -1.97 4.15 5.75 -1.26 -3.67 116.55 117.70 1ykk n ASP 147 Ca 0.00 -1.79 -0.24 0.00 -0.01 0.00 0.00 54.79 52.76 1ykk n ASP 147 Cb 0.39 -0.13 0.05 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.22 3.27 -0.32 0.11 -0.58 -1.13 -4.86 120.64 117.34 1ykk n GLU 148 Ca 0.13 -3.92 0.10 0.00 -0.42 0.00 0.00 57.16 53.05 1ykk n GLU 148 Cb 0.27 -2.23 0.27 0.00 -0.57 0.00 0.00 31.44 29.18 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 2.04 1.45 -0.52 0.62 0.00 -1.76 -0.22 119.26 120.87 1ykk h ALA 149 Ca 0.39 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.29 1ykk h ALA 149 Cb 1.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ykk h ALA 149 CO 0.86 -0.07 -0.06 1.96 0.00 0.00 0.00 179.25 181.95 1ykk h GLN 150 N 0.69 0.95 -0.01 0.00 4.20 -1.93 -2.54 115.11 116.46 1ykk h GLN 150 Ca 0.52 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 1ykk h GLN 150 Cb 0.76 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1ykk h GLN 150 CO -0.37 0.99 -0.78 0.00 -0.67 0.00 0.00 178.83 178.00 1ykk h ALA 151 N 0.92 0.67 -0.01 3.87 0.00 -1.81 -3.19 119.26 119.71 1ykk h ALA 151 Ca 0.14 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1ykk h ALA 151 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ykk h ALA 151 CO 0.04 0.88 -0.52 -0.91 0.00 0.00 0.00 179.25 178.74 1ykk h ASN 152 N 0.09 0.04 1.17 0.00 2.35 -0.97 -2.23 115.58 116.03 1ykk h ASN 152 Ca -0.02 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1ykk h ASN 152 Cb 1.36 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1ykk h ASN 152 CO 0.11 0.55 -0.35 0.00 -1.65 0.00 0.00 177.43 176.10 1ykk h ALA 153 N 1.45 0.88 0.00 -0.83 0.00 -1.45 -3.24 119.26 116.07 1ykk h ALA 153 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ykk h ALA 153 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ykk h ALA 153 CO 0.07 0.44 -1.05 1.63 0.00 0.00 0.00 179.25 180.34 1ykk n LYS 154 N -3.34 0.10 -1.74 0.00 4.76 -1.13 -4.95 118.16 111.86 1ykk n LYS 154 Ca 0.01 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 1ykk n LYS 154 Cb 0.57 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1ykk n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykk h PRO 156 N 8.29 0.00 0.23 0.00 0.13 -1.92 -2.15 132.00 136.59 1ykk h PRO 156 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 1ykk h PRO 156 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 1ykk h PRO 156 CO 0.95 0.26 -1.45 0.28 -0.23 0.00 0.00 178.00 177.81 1ykk h VAL 157 N 0.00 1.25 -0.01 1.56 2.07 -1.95 -3.22 116.25 115.95 1ykk h VAL 157 Ca -0.00 -2.65 -0.10 0.00 0.82 0.00 0.00 66.70 64.77 1ykk h VAL 157 Cb 0.65 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1ykk h VAL 157 CO 0.03 0.80 -0.47 0.25 0.02 0.00 0.00 177.57 178.20 1ykk h LEU 158 N 0.08 0.02 -0.06 2.57 5.85 -1.89 -2.72 115.31 119.16 1ykk h LEU 158 Ca -0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ykk h LEU 158 Cb 2.10 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.13 1ykk h LEU 158 CO 0.25 0.49 -0.02 0.59 -0.34 0.00 0.00 178.44 179.41 1ykk n ASN 159 N -3.97 0.11 0.05 1.25 3.02 -0.81 -2.98 115.26 111.93 1ykk n ASN 159 Ca -0.02 -0.48 0.13 0.00 -0.03 0.00 0.00 54.58 54.18 1ykk n ASN 159 Cb 0.50 -0.16 0.38 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.12 0.53 -4.56 3.41 4.77 -1.03 -4.60 117.00 114.41 1ykk n LEU 160 Ca 0.17 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 1ykk n LEU 160 Cb 0.21 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1ykk n LEU 160 CO 0.22 -0.06 0.66 -0.63 -1.33 0.00 0.00 177.39 176.25 1ykk s ILE 161 N -3.08 4.56 0.19 -0.08 1.01 -1.16 -4.96 121.20 117.69 1ykk s ILE 161 Ca 0.10 0.62 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 1ykk s ILE 161 Cb 0.15 -4.38 0.17 0.00 0.01 0.00 0.00 42.46 38.41 1ykk s ILE 161 CO 0.63 -0.77 1.62 -0.33 0.00 0.00 0.00 174.94 176.09 1ykk h GLU 162 N 9.01 -0.07 -5.30 2.79 5.08 -1.89 -3.41 114.58 120.78 1ykk h GLU 162 Ca -0.24 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 1ykk h GLU 162 Cb 1.08 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1ykk h GLU 162 CO 0.99 -0.05 -0.22 -0.65 -1.00 0.00 0.00 179.01 178.09 1ykk s GLN 163 N -6.16 4.10 0.65 2.33 -1.52 -1.26 -4.99 119.66 112.81 1ykk s GLN 163 Ca -0.14 0.12 0.37 0.00 -1.95 0.00 0.00 55.36 53.76 1ykk s GLN 163 Cb 0.17 -3.59 2.06 0.00 -0.22 0.00 0.00 33.01 31.43 1ykk s GLN 163 CO 0.72 -0.14 2.21 -1.00 -0.25 0.00 0.00 175.29 176.83 1ykk h PRO 164 N 7.70 0.00 0.00 2.91 0.13 -1.98 -2.02 132.00 138.74 1ykk h PRO 164 Ca -0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 1ykk h PRO 164 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ykk h PRO 164 CO 0.69 0.00 -0.58 1.96 -0.23 0.00 0.00 178.00 179.84 1ykk h GLN 165 N 0.00 0.00 0.00 0.86 7.50 -1.96 -3.08 115.11 118.43 1ykk h GLN 165 Ca 0.02 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.11 1ykk h GLN 165 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1ykk h GLN 165 CO -0.00 0.58 -0.35 0.00 -1.50 0.00 0.00 178.83 177.56 1ykk h ARG 166 N 0.00 0.00 0.00 1.46 3.08 -1.77 -3.24 114.38 113.92 1ykk h ARG 166 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1ykk h ARG 166 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1ykk h ARG 166 CO 0.08 0.21 -0.45 0.00 -1.07 0.00 0.00 179.97 178.74 1ykk h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.53 -2.97 114.38 113.00 1ykk h ARG 167 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ykk h ARG 167 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ykk h ARG 167 CO 0.03 0.45 -0.14 0.93 -1.07 0.00 0.00 179.97 180.17 1ykk h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.61 -2.67 114.58 115.43 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 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ykk h GLU 168 CO 0.06 0.14 0.00 1.79 -1.00 0.00 0.00 179.01 180.00 1ykk h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.69 -2.49 112.91 111.19 1ykk h THR 169 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1ykk h THR 169 Cb 0.33 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1ykk h THR 169 CO 0.02 0.00 -0.18 0.18 -0.25 0.00 0.00 175.52 175.29 1ykk n LEU 170 N -2.64 2.21 -4.55 3.87 4.77 -1.00 -4.80 117.00 114.86 1ykk n LEU 170 Ca 0.02 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.84 1ykk n LEU 170 Cb 0.28 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1ykk n LEU 170 CO 0.24 0.38 -0.01 -0.63 -1.33 0.00 0.00 177.39 176.03 1ykk s ILE 171 N -2.21 5.21 0.12 -0.08 1.01 -0.94 0.07 121.20 124.38 1ykk s ILE 171 Ca 0.26 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 1ykk s ILE 171 Cb 0.19 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1ykk s ILE 171 CO 0.42 -0.02 1.04 0.00 0.00 0.00 0.00 174.94 176.37 1ykk s ALA 172 N 1.94 3.30 -0.01 9.38 0.00 0.14 -4.88 121.76 131.63 1ykk s ALA 172 Ca 0.10 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1ykk s ALA 172 Cb -0.17 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1ykk s ALA 172 CO 0.11 -0.15 0.72 0.15 0.00 0.00 0.00 175.76 176.59 1ykk s LYS 173 N 0.05 4.44 0.07 0.00 -0.14 -0.80 -2.15 119.74 121.21 1ykk s LYS 173 Ca 0.49 0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 55.74 1ykk s LYS 173 Cb -0.26 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.44 1ykk s LYS 173 CO 0.31 0.21 1.18 0.50 -0.76 0.00 0.00 175.35 176.79 1ykk s ARG 174 N 0.25 4.45 0.18 1.68 3.52 -1.26 -0.67 118.95 127.10 1ykk s ARG 174 Ca 0.37 1.74 -0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1ykk s ARG 174 Cb -0.19 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1ykk s ARG 174 CO 0.20 -0.22 0.24 0.00 -0.81 0.00 0.00 175.30 174.71 1ykk s GLU 176 N -2.43 1.05 -0.25 0.00 2.02 -1.26 -1.75 118.70 116.07 1ykk s GLU 176 Ca 0.15 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 55.00 1ykk s GLU 176 Cb -0.00 -1.04 0.05 0.00 0.10 0.00 0.00 34.13 33.24 1ykk s GLU 176 CO 0.11 -0.10 -0.10 0.08 0.02 0.00 0.00 175.26 175.27 1ykk s VAL 177 N 1.04 2.35 -1.41 2.63 1.01 -0.93 -4.78 120.40 120.32 1ykk s VAL 177 Ca -0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 1ykk s VAL 177 Cb -0.14 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1ykk s VAL 177 CO -0.00 0.06 0.85 0.47 0.00 0.00 0.00 175.10 176.48 1ykk n ASP 178 N 4.51 -3.01 -1.44 3.32 8.00 -1.26 -2.61 116.55 124.06 1ykk n ASP 178 Ca -0.15 -0.79 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 1ykk n ASP 178 Cb 0.44 -4.05 -0.01 0.00 -0.02 0.00 0.00 41.12 37.48 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 -1.65 -0.10 3.11 0.44 0.00 -1.26 -5.02 105.19 100.71 1ykk n GLY 179 Ca -0.14 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.58 0.83 0.08 1.61 2.47 -1.07 -5.12 119.74 113.96 1ykk s LYS 180 Ca 0.00 -0.66 -0.31 0.00 -1.56 0.00 0.00 55.97 53.44 1ykk s LYS 180 Cb 0.00 -0.80 -0.08 0.00 -1.46 0.00 0.00 37.83 35.49 1ykk s LYS 180 CO 0.00 0.20 1.59 0.99 0.16 0.00 0.00 175.35 178.28 1ykk s THR 181 N -0.78 3.08 0.06 3.43 2.01 -1.26 -2.19 115.64 119.98 1ykk s THR 181 Ca 0.00 0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 1ykk s THR 181 Cb -0.07 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1ykk s THR 181 CO 0.01 0.01 -0.01 0.00 -0.69 0.00 0.00 174.62 173.94 1ykk s ALA 182 N 2.24 0.48 -0.02 7.40 0.00 -0.72 -1.86 121.76 129.29 1ykk s ALA 182 Ca 0.71 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ykk s ALA 182 Cb -0.39 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1ykk s ALA 182 CO 0.31 -0.39 -0.07 0.71 0.00 0.00 0.00 175.76 176.32 1ykk s TYR 183 N -3.92 0.77 -0.23 0.00 1.51 -0.78 -1.20 117.35 113.50 1ykk s TYR 183 Ca 0.08 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1ykk s TYR 183 Cb 0.08 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 1ykk s TYR 183 CO -0.09 -0.07 0.06 0.50 -1.11 0.00 0.00 175.55 174.84 1ykk s ARG 184 N 0.13 3.72 -0.34 -0.62 3.52 0.15 -2.58 118.95 122.94 1ykk s ARG 184 Ca -0.02 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1ykk s ARG 184 Cb -0.07 -3.29 0.10 0.00 -1.56 0.00 0.00 34.95 30.14 1ykk s ARG 184 CO 0.00 -0.08 0.10 0.12 -0.81 0.00 0.00 175.30 174.63 1ykk s PHE 185 N 1.32 2.50 0.03 5.12 5.36 -0.53 -1.90 117.98 129.88 1ykk s PHE 185 Ca 0.05 -2.30 -0.16 0.00 -0.96 0.00 0.00 56.93 53.56 1ykk s PHE 185 Cb -0.15 -2.19 -0.06 0.00 -0.34 0.00 0.00 43.02 40.28 1ykk s PHE 185 CO 0.03 -0.89 0.47 -0.51 -1.46 0.00 0.00 175.22 172.86 1ykk s ASP 186 N 1.18 6.90 -0.18 6.13 1.01 -1.26 -4.08 116.67 126.37 1ykk s ASP 186 Ca 0.11 1.07 -0.02 0.00 0.71 0.00 0.00 52.55 54.42 1ykk s ASP 186 Cb -0.19 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 1ykk s ASP 186 CO -0.16 0.30 -0.07 -0.63 0.21 0.00 0.00 175.17 174.81 1ykk s ILE 187 N -1.11 3.31 -0.37 0.77 1.01 -0.49 -4.95 121.20 119.36 1ykk s ILE 187 Ca 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1ykk s ILE 187 Cb -0.18 -2.46 0.07 0.00 0.01 0.00 0.00 42.46 39.90 1ykk s ILE 187 CO 0.16 0.47 0.16 -0.13 0.00 0.00 0.00 174.94 175.59 1ykk s ARG 188 N 0.93 2.45 0.29 2.79 0.52 -1.26 -0.16 118.95 124.50 1ykk s ARG 188 Ca -0.01 -1.42 0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1ykk s ARG 188 Cb -0.15 -3.54 0.46 0.00 0.52 0.00 0.00 34.95 32.24 1ykk s ARG 188 CO 0.00 -0.84 1.78 0.82 0.02 0.00 0.00 175.30 177.09 1ykk h ILE 189 N 6.24 1.24 -3.04 1.52 2.04 -1.43 0.31 117.51 124.38 1ykk h ILE 189 Ca -0.20 -1.04 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 1ykk h ILE 189 Cb 1.07 1.10 -0.24 0.00 -0.74 0.00 0.00 36.82 38.02 1ykk h ILE 189 CO 0.66 0.35 -0.36 -1.58 0.00 0.00 0.00 178.15 177.22 1ykk s GLN 190 N -4.77 0.41 0.00 2.37 0.74 -1.26 -4.77 119.66 112.38 1ykk s GLN 190 Ca -0.08 0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.59 1ykk s GLN 190 Cb 0.15 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.45 1ykk s GLN 190 CO 0.79 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 1ykk n GLY 191 N 2.54 0.73 3.63 2.59 0.00 -1.26 -3.97 105.19 109.43 1ykk n GLY 191 Ca -0.15 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.65 -0.28 1.61 2.12 -1.26 -2.11 118.70 122.43 1ykk s GLU 192 Ca 0.00 1.94 -0.00 0.00 0.36 0.00 0.00 54.97 57.27 1ykk s GLU 192 Cb 0.00 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1ykk s GLU 192 CO 0.00 -1.48 0.01 0.41 -0.54 0.00 0.00 175.26 173.66 1ykk n GLY 193 N 4.99 0.26 3.68 -1.50 0.00 -1.26 -4.97 105.19 106.39 1ykk n GLY 193 Ca 0.22 -0.73 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.32 2.20 -2.25 1.61 2.13 -0.90 -4.64 120.64 117.47 1ykk n GLU 194 Ca -0.04 0.79 -0.41 0.00 0.66 0.00 0.00 57.16 58.16 1ykk n GLU 194 Cb 0.53 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 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 0.56 3.15 -0.01 6.31 2.01 0.10 -4.92 115.64 122.83 1ykk s THR 195 Ca 0.74 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 1ykk s THR 195 Cb -0.64 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1ykk s THR 195 CO 0.42 0.20 1.42 -0.69 -0.69 0.00 0.00 174.62 175.29 1ykk s VAL 196 N -0.53 3.71 0.02 3.82 1.01 -1.26 -4.95 120.40 122.22 1ykk s VAL 196 Ca 0.51 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1ykk s VAL 196 Cb -0.36 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ykk s VAL 196 CO 0.43 -0.02 -0.08 -0.36 0.00 0.00 0.00 175.10 175.07 1ykk s PHE 197 N 2.60 2.83 0.30 5.22 0.08 -1.26 -4.62 117.98 123.13 1ykk s PHE 197 Ca 0.64 -0.08 0.07 0.00 0.12 0.00 0.00 56.93 57.69 1ykk s PHE 197 Cb -0.31 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1ykk s PHE 197 CO 0.26 0.36 0.23 -0.06 -0.10 0.00 0.00 175.22 175.92 1ykk s PHE 198 N -1.02 2.95 -0.04 0.36 0.08 0.33 -4.99 117.98 115.66 1ykk s PHE 198 Ca 0.17 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1ykk s PHE 198 Cb -0.11 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1ykk s PHE 198 CO 0.08 0.34 -0.04 0.34 -0.10 0.00 0.00 175.22 175.84 1ykk s ASP 199 N -3.91 0.86 0.00 1.36 3.68 -1.26 -4.32 116.67 113.07 1ykk s ASP 199 Ca 0.37 -0.12 0.00 0.00 2.13 0.00 0.00 52.55 54.94 1ykk s ASP 199 Cb -0.06 -0.42 0.00 0.00 -1.45 0.00 0.00 42.92 40.99 1ykk s ASP 199 CO 0.25 -0.05 0.00 2.22 0.13 0.00 0.00 175.17 177.72