#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 4.71 -0.14 4.25 -1.09 -1.26 -5.02 121.20 122.65 1ykk s ILE 2 Ca 0.00 1.84 -0.00 0.00 -2.23 0.00 0.00 60.65 60.26 1ykk s ILE 2 Cb 0.00 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1ykk s ILE 2 CO 0.00 -0.18 -0.13 -1.61 -1.23 0.00 0.00 174.94 171.79 1ykk s GLU 3 N 3.13 3.37 0.45 2.79 0.41 -1.26 -5.13 118.70 122.46 1ykk s GLU 3 Ca 0.41 -0.69 0.02 0.00 -0.41 0.00 0.00 54.97 54.30 1ykk s GLU 3 Cb -0.15 -2.66 0.08 0.00 -1.78 0.00 0.00 34.13 29.63 1ykk s GLU 3 CO 0.07 0.17 0.61 1.28 -0.49 0.00 0.00 175.26 176.90 1ykk n LEU 4 N 3.66 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 115.71 1ykk n LEU 4 Ca -0.18 -1.48 -0.41 0.00 -0.02 0.00 0.00 56.01 53.92 1ykk n LEU 4 Cb 0.52 -0.38 -0.02 0.00 -1.62 0.00 0.00 43.42 41.93 1ykk n LEU 4 CO 0.30 -0.76 1.00 -0.76 -1.22 0.00 0.00 177.39 175.95 1ykk s LEU 5 N 0.00 4.42 0.42 2.23 1.43 -1.26 -4.97 118.68 120.95 1ykk s LEU 5 Ca 0.42 2.68 -0.22 0.00 -1.03 0.00 0.00 54.13 55.98 1ykk s LEU 5 Cb -0.03 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1ykk s LEU 5 CO 0.28 -0.56 1.01 -2.16 0.23 0.00 0.00 176.35 175.14 1ykk s PRO 6 N -1.52 4.13 0.43 1.29 0.04 -1.26 -5.02 135.00 133.09 1ykk s PRO 6 Ca 0.51 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1ykk s PRO 6 Cb -0.40 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 1ykk s PRO 6 CO 0.51 -0.14 1.13 -2.00 0.04 0.00 0.00 177.00 176.54 1ykk s GLU 7 N -2.82 3.94 0.17 4.56 2.12 -1.26 -4.98 118.70 120.44 1ykk s GLU 7 Ca 0.61 1.69 -0.32 0.00 0.36 0.00 0.00 54.97 57.31 1ykk s GLU 7 Cb -0.17 -2.49 -0.11 0.00 0.26 0.00 0.00 34.13 31.62 1ykk s GLU 7 CO 0.21 -0.38 1.66 0.99 -0.54 0.00 0.00 175.26 177.20 1ykk s THR 8 N -1.57 2.42 0.38 -1.70 2.01 -1.26 -4.94 115.64 110.98 1ykk s THR 8 Ca 0.61 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.59 1ykk s THR 8 Cb -0.27 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1ykk s THR 8 CO 0.33 0.02 1.22 -2.84 -0.69 0.00 0.00 174.62 172.66 1ykk s PRO 9 N 1.40 4.13 0.56 4.92 0.02 -1.26 -5.03 135.00 139.74 1ykk s PRO 9 Ca 0.73 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 63.58 1ykk s PRO 9 Cb -0.46 -2.81 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 1ykk s PRO 9 CO 0.32 -0.30 1.02 0.45 -0.33 0.00 0.00 177.00 178.16 1ykk s SER 10 N -0.90 6.20 0.05 2.53 0.15 -1.26 -5.08 113.70 115.39 1ykk s SER 10 Ca 0.55 1.68 -0.03 0.00 0.70 0.00 0.00 55.95 58.85 1ykk s SER 10 Cb -0.34 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 1ykk s SER 10 CO 0.44 -0.88 0.04 -1.10 1.20 0.00 0.00 173.24 172.94 1ykk s GLN 11 N -4.11 0.62 0.60 5.44 -1.52 -1.17 -4.87 119.66 114.65 1ykk s GLN 11 Ca 0.61 -1.01 -0.19 0.00 -1.95 0.00 0.00 55.36 52.82 1ykk s GLN 11 Cb -0.13 0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 1ykk s GLN 11 CO 0.35 -0.14 1.14 -2.37 -0.25 0.00 0.00 175.29 174.01 1ykk n THR 12 N 0.37 4.06 0.22 -0.19 5.66 -1.21 -4.79 114.28 118.40 1ykk n THR 12 Ca -0.16 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.42 1ykk n THR 12 Cb 0.60 -1.35 0.52 0.00 -1.55 0.00 0.00 70.33 68.55 1ykk n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykk h ALA 13 N 0.71 1.19 0.00 1.79 0.00 -1.74 -3.49 119.26 117.71 1ykk h ALA 13 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1ykk h ALA 13 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ykk h ALA 13 CO 0.53 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1ykk n GLY 14 N -0.28 -1.67 0.23 0.00 0.00 -1.26 -4.12 105.19 98.09 1ykk n GLY 14 Ca -0.01 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.88 1.61 0.13 -1.93 -3.17 132.00 127.77 1ykk h PRO 15 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1ykk h PRO 15 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1ykk h PRO 15 CO 0.00 0.20 0.50 0.66 -0.23 0.00 0.00 178.00 179.14 1ykk n TYR 16 N -3.99 2.82 0.20 1.56 4.01 -1.26 -4.65 117.16 115.85 1ykk n TYR 16 Ca -0.02 -2.32 0.06 0.00 -0.16 0.00 0.00 57.90 55.46 1ykk n TYR 16 Cb 0.28 -1.03 0.53 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.11 1.08 -0.26 -0.72 3.04 -1.70 -3.02 116.25 115.77 1ykk h VAL 17 Ca 0.54 -0.34 -0.05 0.00 -1.01 0.00 0.00 66.70 65.84 1ykk h VAL 17 Cb 1.76 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 1ykk h VAL 17 CO 1.17 0.11 -0.04 0.45 -1.01 0.00 0.00 177.57 178.24 1ykk h HIS 18 N 0.09 0.42 0.00 3.17 3.86 -1.86 -2.38 115.15 118.45 1ykk h HIS 18 Ca 0.02 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1ykk h HIS 18 Cb 0.16 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ykk h HIS 18 CO 0.00 0.45 -0.07 -0.84 0.86 0.00 0.00 177.93 178.33 1ykk h ILE 19 N 0.39 0.58 0.00 2.45 3.07 -1.76 0.98 117.51 123.22 1ykk h ILE 19 Ca 0.08 -0.32 -0.06 0.00 1.55 0.00 0.00 64.86 66.11 1ykk h ILE 19 Cb 0.32 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.07 1ykk h ILE 19 CO 0.01 0.07 -1.68 0.61 -1.05 0.00 0.00 178.15 176.12 1ykk n GLY 20 N -0.96 -0.62 0.00 0.16 0.00 -1.11 -4.54 105.19 98.12 1ykk n GLY 20 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.09 0.00 -3.06 0.99 4.77 -0.91 -4.83 117.00 111.86 1ykk n LEU 21 Ca -0.07 -0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 55.37 1ykk n LEU 21 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1ykk n LEU 21 CO 0.28 0.00 -0.07 0.00 -1.33 0.00 0.00 177.39 176.27 1ykk n ALA 22 N -1.03 1.21 -0.31 -1.18 0.00 0.29 -4.95 120.51 114.54 1ykk n ALA 22 Ca 0.00 -2.85 0.22 0.00 0.00 0.00 0.00 53.44 50.81 1ykk n ALA 22 Cb 0.00 -1.00 0.50 0.00 0.00 0.00 0.00 19.45 18.96 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 3.00 0.45 -0.11 0.00 4.07 -1.66 -1.47 115.31 119.59 1ykk h LEU 23 Ca 0.04 0.08 -0.24 0.00 0.08 0.00 0.00 57.88 57.84 1ykk h LEU 23 Cb 1.01 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.76 1ykk h LEU 23 CO 0.39 0.11 -0.94 -0.08 -1.08 0.00 0.00 178.44 176.84 1ykk h GLU 24 N 0.41 0.62 -0.08 1.13 4.81 -1.87 -2.22 114.58 117.38 1ykk h GLU 24 Ca 0.57 -0.62 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1ykk h GLU 24 Cb 1.44 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1ykk h GLU 24 CO -0.27 1.23 -0.36 0.00 -0.73 0.00 0.00 179.01 178.87 1ykk h ALA 25 N 0.57 1.23 0.12 2.92 0.00 -1.66 -3.11 119.26 119.33 1ykk h ALA 25 Ca -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ykk h ALA 25 Cb 1.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ykk h ALA 25 CO 0.18 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.90 1ykk h ALA 26 N 1.48 -0.16 0.00 0.00 0.00 -1.32 -3.48 119.26 115.79 1ykk h ALA 26 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ykk h ALA 26 Cb 0.72 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ykk h ALA 26 CO 0.05 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1ykk n GLY 27 N 0.26 1.51 3.92 0.00 0.00 -1.05 -5.07 105.19 104.76 1ykk n GLY 27 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.81 6.41 0.25 1.61 0.01 -0.86 -5.05 114.94 115.51 1ykk s ASN 28 Ca 0.00 0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 1ykk s ASN 28 Cb 0.00 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.53 1ykk s ASN 28 CO 0.00 -0.01 1.55 -2.16 -1.51 0.00 0.00 177.10 174.97 1ykk s PRO 29 N -3.13 4.18 0.62 -0.60 0.04 -1.26 -4.34 135.00 130.51 1ykk s PRO 29 Ca 0.39 2.46 -0.08 0.00 0.04 0.00 0.00 61.00 63.80 1ykk s PRO 29 Cb -0.11 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 1ykk s PRO 29 CO 0.28 -0.57 0.97 0.95 0.04 0.00 0.00 177.00 178.67 1ykk s THR 30 N 0.27 3.86 0.72 1.26 -4.23 -1.26 -4.96 115.64 111.30 1ykk s THR 30 Ca 0.64 0.29 -0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1ykk s THR 30 Cb -0.45 -3.56 0.14 0.00 1.34 0.00 0.00 72.50 69.97 1ykk s THR 30 CO 0.43 -0.64 0.99 0.54 -0.54 0.00 0.00 174.62 175.39 1ykk n ARG 31 N -2.71 -0.12 -0.21 3.99 1.74 -1.26 -5.02 116.66 113.08 1ykk n ARG 31 Ca 0.05 -2.67 -0.07 0.00 -0.77 0.00 0.00 57.85 54.39 1ykk n ARG 31 Cb 0.57 -0.66 0.03 0.00 -1.02 0.00 0.00 32.46 31.37 1ykk n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ykk h ASP 32 N -0.60 0.72 -3.12 0.55 3.32 -2.07 -3.41 116.42 111.80 1ykk h ASP 32 Ca -0.33 -0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.05 1ykk h ASP 32 Cb 1.21 -0.18 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 1ykk h ASP 32 CO 0.35 0.58 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.52 1ykk s GLN 33 N -5.93 2.30 0.02 3.56 -0.21 -1.26 -5.13 119.66 113.01 1ykk s GLN 33 Ca -0.13 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 54.76 1ykk s GLN 33 Cb 0.13 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1ykk s GLN 33 CO 0.77 -0.24 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.28 1ykk s GLU 34 N 1.49 1.50 -0.55 2.91 0.41 -1.26 -5.10 118.70 118.09 1ykk s GLU 34 Ca 0.05 -0.88 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 1ykk s GLU 34 Cb -0.13 -1.56 0.05 0.00 -1.78 0.00 0.00 34.13 30.71 1ykk s GLU 34 CO -0.11 0.41 0.86 0.42 -0.49 0.00 0.00 175.26 176.35 1ykk s ILE 35 N -0.70 4.51 0.00 -1.63 1.09 -1.26 -4.99 121.20 118.22 1ykk s ILE 35 Ca 0.08 0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 1ykk s ILE 35 Cb -0.09 -4.49 0.00 0.00 -1.06 0.00 0.00 42.46 36.82 1ykk s ILE 35 CO 0.01 -1.07 0.00 1.87 -0.10 0.00 0.00 174.94 175.65 1ykk n TRP 36 N 7.15 0.00 1.50 3.97 -0.00 -1.26 -4.45 117.44 124.35 1ykk n TRP 36 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.58 1ykk n TRP 36 Cb 0.47 0.00 0.41 0.00 -0.00 0.00 0.00 31.31 32.18 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 1.04 -4.29 5.87 6.94 -0.78 -1.77 115.26 122.28 1ykk n ASN 37 Ca 0.00 -1.64 -0.44 0.00 -0.02 0.00 0.00 54.58 52.48 1ykk n ASN 37 Cb 0.00 -0.07 -0.03 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 -1.86 3.63 0.09 -3.83 6.06 -1.26 -0.93 118.95 120.85 1ykk s ARG 38 Ca 0.29 -2.76 -0.06 0.00 -2.50 0.00 0.00 55.73 50.70 1ykk s ARG 38 Cb 0.15 -4.34 -0.24 0.00 0.06 0.00 0.00 34.95 30.58 1ykk s ARG 38 CO 0.23 -1.26 1.17 -0.07 -2.50 0.00 0.00 175.30 172.87 1ykk h LEU 39 N 7.22 0.51 -8.64 -0.88 4.07 -1.27 -3.45 115.31 112.87 1ykk h LEU 39 Ca 0.12 -0.50 -0.66 0.00 0.08 0.00 0.00 57.88 56.91 1ykk h LEU 39 Cb 0.96 -0.16 -0.27 0.00 1.08 0.00 0.00 40.66 42.27 1ykk h LEU 39 CO 0.83 1.36 -0.78 0.00 -1.08 0.00 0.00 178.44 178.77 1ykk s ALA 40 N -2.82 2.58 0.25 1.53 0.00 -1.15 -1.07 121.76 121.08 1ykk s ALA 40 Ca -0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1ykk s ALA 40 Cb 0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1ykk s ALA 40 CO 0.89 0.31 0.59 0.15 0.00 0.00 0.00 175.76 177.69 1ykk s LYS 41 N 0.17 3.84 0.53 0.00 1.02 0.04 -4.78 119.74 120.55 1ykk s LYS 41 Ca -0.08 0.35 0.46 0.00 0.02 0.00 0.00 55.97 56.72 1ykk s LYS 41 Cb -0.15 -2.60 1.68 0.00 -0.52 0.00 0.00 37.83 36.24 1ykk s LYS 41 CO 0.05 0.27 1.58 -1.35 -0.92 0.00 0.00 175.35 174.98 1ykk h PRO 42 N 2.43 0.00 -0.66 -1.68 0.11 -2.00 -0.64 132.00 129.56 1ykk h PRO 42 Ca -0.47 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1ykk h PRO 42 Cb 1.17 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1ykk h PRO 42 CO 0.68 0.00 0.06 -0.40 -0.21 0.00 0.00 178.00 178.13 1ykk n ASP 43 N -4.14 5.15 -4.79 -2.05 5.75 -1.26 -4.96 116.55 110.24 1ykk n ASP 43 Ca 0.44 -2.91 -0.38 0.00 -0.01 0.00 0.00 54.79 51.93 1ykk n ASP 43 Cb 1.91 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 41.25 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 -2.64 3.39 0.52 2.12 0.00 -0.25 -5.04 121.76 119.87 1ykk s ALA 44 Ca 0.50 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 1ykk s ALA 44 Cb 0.38 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1ykk s ALA 44 CO 0.14 0.29 1.20 -1.25 0.00 0.00 0.00 175.76 176.14 1ykk s PRO 45 N -1.66 3.40 0.00 0.00 0.04 -1.26 -4.92 135.00 130.61 1ykk s PRO 45 Ca 0.41 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1ykk s PRO 45 Cb -0.20 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1ykk s PRO 45 CO 0.24 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1ykk n GLY 46 N 0.46 0.81 3.58 0.56 0.00 -1.26 -4.57 105.19 104.76 1ykk n GLY 46 Ca 0.10 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.20 3.59 -0.09 1.61 2.12 -1.26 -4.95 118.70 118.51 1ykk s GLU 47 Ca 0.00 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 1ykk s GLU 47 Cb 0.00 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 1ykk s GLU 47 CO 0.00 -1.33 1.48 -1.01 -0.54 0.00 0.00 175.26 173.87 1ykk s HIS 48 N 4.10 2.39 0.26 5.30 3.76 -1.26 -1.74 115.29 128.09 1ykk s HIS 48 Ca 0.41 0.56 0.09 0.00 -0.15 0.00 0.00 55.06 55.97 1ykk s HIS 48 Cb -0.09 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 29.81 1ykk s HIS 48 CO 0.28 -2.91 -0.14 0.96 -0.85 0.00 0.00 174.74 172.08 1ykk s ILE 49 N 3.68 2.01 -0.15 0.60 -4.36 0.25 -4.50 121.20 118.72 1ykk s ILE 49 Ca 0.65 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1ykk s ILE 49 Cb -0.29 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1ykk s ILE 49 CO 0.24 -0.42 -0.17 -0.22 0.24 0.00 0.00 174.94 174.60 1ykk s LEU 50 N -3.44 2.37 -0.16 0.37 2.96 -0.02 -2.66 118.68 118.10 1ykk s LEU 50 Ca 0.28 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1ykk s LEU 50 Cb -0.01 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1ykk s LEU 50 CO 0.12 0.07 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.42 1ykk s LEU 51 N 0.87 3.19 0.05 -0.68 1.43 0.01 -1.12 118.68 122.43 1ykk s LEU 51 Ca -0.05 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1ykk s LEU 51 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1ykk s LEU 51 CO -0.02 0.16 0.01 -1.48 0.23 0.00 0.00 176.35 175.26 1ykk s LEU 52 N 0.41 2.27 0.00 1.79 -0.00 -0.86 -0.05 118.68 122.23 1ykk s LEU 52 Ca -0.04 -0.90 0.00 0.00 -0.00 0.00 0.00 54.13 53.19 1ykk s LEU 52 Cb -0.14 0.36 0.00 0.00 -0.00 0.00 0.00 46.19 46.40 1ykk s LEU 52 CO 0.03 -0.61 0.00 0.61 -0.00 0.00 0.00 176.35 176.39 1ykk n GLY 53 N 0.17 0.62 3.33 -3.48 0.00 -1.07 -0.54 105.19 104.22 1ykk n GLY 53 Ca -0.15 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1ykk n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ykk s GLN 54 N -2.00 1.25 -0.16 1.61 -0.21 -1.26 -1.36 119.66 117.53 1ykk s GLN 54 Ca 0.00 -1.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.06 1ykk s GLN 54 Cb 0.00 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 1ykk s GLN 54 CO 0.00 0.34 -0.06 0.08 -2.12 0.00 0.00 175.29 173.53 1ykk s VAL 55 N -1.44 3.66 0.01 1.09 1.01 -1.26 -1.66 120.40 121.81 1ykk s VAL 55 Ca 0.12 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1ykk s VAL 55 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1ykk s VAL 55 CO 0.06 0.49 -0.19 -0.31 0.00 0.00 0.00 175.10 175.15 1ykk s TYR 56 N 0.52 2.54 0.00 5.22 1.51 0.23 -0.58 117.35 126.79 1ykk s TYR 56 Ca -0.04 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1ykk s TYR 56 Cb -0.15 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1ykk s TYR 56 CO 0.03 0.18 0.00 -0.40 -1.11 0.00 0.00 175.55 174.25 1ykk n ASP 57 N 1.92 0.00 0.10 2.29 5.68 -0.53 -1.53 116.55 124.48 1ykk n ASP 57 Ca -0.16 -0.99 0.11 0.00 -0.50 0.00 0.00 54.79 53.24 1ykk n ASP 57 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 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 -1.17 1.05 6.12 0.00 -1.26 -2.37 105.19 112.56 1ykk n GLY 58 Ca 0.00 0.07 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 -2.08 3.23 -0.05 1.61 3.02 -1.26 -4.75 115.26 114.97 1ykk n ASN 59 Ca 0.02 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.58 1ykk n ASN 59 Cb 0.20 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.41 0.46 3.90 7.41 0.00 -1.00 -5.04 105.19 112.33 1ykk n GLY 60 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.01 3.56 0.21 1.61 3.76 -1.26 -4.86 115.29 116.29 1ykk s HIS 61 Ca 0.00 0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 55.01 1ykk s HIS 61 Cb 0.00 -1.86 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 1ykk s HIS 61 CO 0.00 0.65 1.48 -0.51 -0.85 0.00 0.00 174.74 175.51 1ykk s LEU 62 N -1.82 4.38 -0.54 0.89 1.43 -1.26 -1.46 118.68 120.30 1ykk s LEU 62 Ca 0.26 2.63 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 1ykk s LEU 62 Cb -0.13 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.55 1ykk s LEU 62 CO 0.17 -0.74 0.71 -0.69 0.23 0.00 0.00 176.35 176.03 1ykk s VAL 63 N 0.44 4.75 -0.60 -1.59 1.01 0.25 -4.90 120.40 119.76 1ykk s VAL 63 Ca 0.63 -0.44 0.12 0.00 0.00 0.00 0.00 61.98 62.29 1ykk s VAL 63 Cb -0.42 -4.39 0.64 0.00 0.00 0.00 0.00 36.38 32.20 1ykk s VAL 63 CO 0.39 -0.95 1.48 0.54 0.00 0.00 0.00 175.10 176.56 1ykk n ARG 64 N 6.51 3.89 -0.88 2.72 1.74 -1.26 -4.23 116.66 125.14 1ykk n ARG 64 Ca -0.06 -2.46 0.01 0.00 -0.77 0.00 0.00 57.85 54.58 1ykk n ARG 64 Cb 0.45 -2.03 0.01 0.00 -1.02 0.00 0.00 32.46 29.87 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 0.59 0.36 -4.86 0.55 5.68 -1.18 -3.23 116.55 114.47 1ykk n ASP 65 Ca 0.22 -1.98 -0.32 0.00 -0.50 0.00 0.00 54.79 52.22 1ykk n ASP 65 Cb 0.94 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.68 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 -1.35 6.45 -0.05 -1.12 1.04 -1.21 -4.55 113.70 112.91 1ykk s SER 66 Ca 0.13 1.48 0.01 0.00 0.48 0.00 0.00 55.95 58.04 1ykk s SER 66 Cb 0.15 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1ykk s SER 66 CO -0.06 -0.70 -0.04 0.12 0.98 0.00 0.00 173.24 173.54 1ykk s PHE 67 N -2.85 0.81 0.01 5.02 5.36 0.14 -2.38 117.98 124.08 1ykk s PHE 67 Ca 0.57 -0.25 0.07 0.00 -0.96 0.00 0.00 56.93 56.36 1ykk s PHE 67 Cb -0.10 -0.74 -0.02 0.00 -0.34 0.00 0.00 43.02 41.81 1ykk s PHE 67 CO 0.41 -0.24 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.20 1ykk s LEU 68 N 1.16 2.09 -0.04 6.12 1.02 0.36 -0.19 118.68 129.19 1ykk s LEU 68 Ca -0.07 -0.45 0.07 0.00 0.02 0.00 0.00 54.13 53.70 1ykk s LEU 68 Cb -0.14 -1.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.98 1ykk s LEU 68 CO -0.01 0.23 -0.25 -1.61 0.02 0.00 0.00 176.35 174.73 1ykk s GLU 69 N -0.78 2.35 -0.01 1.70 2.02 -0.41 -0.91 118.70 122.65 1ykk s GLU 69 Ca 0.08 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.26 1ykk s GLU 69 Cb -0.09 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 1ykk s GLU 69 CO 0.00 0.42 -0.23 0.14 0.02 0.00 0.00 175.26 175.62 1ykk s VAL 70 N -0.28 1.81 -0.12 2.63 -7.23 0.23 -1.11 120.40 116.32 1ykk s VAL 70 Ca 0.00 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1ykk s VAL 70 Cb -0.12 -1.51 0.04 0.00 0.56 0.00 0.00 36.38 35.35 1ykk s VAL 70 CO 0.02 0.48 0.00 0.86 -0.31 0.00 0.00 175.10 176.16 1ykk s TRP 71 N -0.56 0.93 0.04 2.82 -0.11 0.31 -2.11 118.94 120.25 1ykk s TRP 71 Ca 0.09 -0.51 -0.07 0.00 1.22 0.00 0.00 56.10 56.83 1ykk s TRP 71 Cb -0.09 -0.95 -0.01 0.00 -1.50 0.00 0.00 33.47 30.92 1ykk s TRP 71 CO -0.01 -0.46 0.13 1.14 -4.62 0.00 0.00 176.95 173.14 1ykk s GLN 72 N 1.89 0.64 0.70 5.86 -2.07 -0.71 -0.73 119.66 125.23 1ykk s GLN 72 Ca 0.03 -0.73 -0.11 0.00 -1.82 0.00 0.00 55.36 52.72 1ykk s GLN 72 Cb -0.14 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1ykk s GLN 72 CO -0.07 -0.17 1.09 0.00 -1.32 0.00 0.00 175.29 174.82 1ykk s ALA 73 N -2.70 2.91 1.00 2.60 0.00 -1.26 -4.52 121.76 119.79 1ykk s ALA 73 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ykk s ALA 73 Cb -0.01 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ykk s ALA 73 CO -0.05 -1.15 0.00 -0.40 0.00 0.00 0.00 175.76 174.17 1ykk n ASP 74 N -2.99 -0.07 0.26 0.00 5.68 -0.18 -4.31 116.55 114.93 1ykk n ASP 74 Ca 0.07 -0.82 0.12 0.00 -0.50 0.00 0.00 54.79 53.66 1ykk n ASP 74 Cb 0.57 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.24 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 -2.00 1.24 -0.08 2.12 0.00 -1.81 0.26 119.26 118.99 1ykk h ALA 75 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 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 0.00 0.09 0.00 0.00 0.00 179.25 179.51 1ykk n ASN 76 N -3.60 1.73 -0.32 0.00 3.02 -1.26 -3.79 115.26 111.03 1ykk n ASN 76 Ca -0.01 -1.62 -0.03 0.00 -0.03 0.00 0.00 54.58 52.89 1ykk n ASN 76 Cb 0.27 -0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 1.18 0.28 3.29 7.41 0.00 -0.88 -4.84 105.19 111.64 1ykk n GLY 77 Ca 0.18 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.98 2.38 -0.35 1.61 2.02 -1.26 -4.68 118.70 114.45 1ykk s GLU 78 Ca 0.00 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 53.84 1ykk s GLU 78 Cb 0.00 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.12 1ykk s GLU 78 CO 0.00 0.46 0.84 0.71 0.02 0.00 0.00 175.26 177.28 1ykk s TYR 79 N -0.35 3.13 -0.79 1.61 1.51 -1.26 -1.01 117.35 120.19 1ykk s TYR 79 Ca 0.02 0.72 -0.19 0.00 -1.01 0.00 0.00 57.07 56.61 1ykk s TYR 79 Cb -0.12 -3.43 0.12 0.00 -0.11 0.00 0.00 41.96 38.42 1ykk s TYR 79 CO 0.02 -0.71 0.95 -0.65 -1.11 0.00 0.00 175.55 174.05 1ykk s GLN 80 N 3.18 3.38 0.16 -0.62 -1.52 -1.26 -4.90 119.66 118.08 1ykk s GLN 80 Ca 0.34 -1.57 -0.02 0.00 -1.95 0.00 0.00 55.36 52.16 1ykk s GLN 80 Cb -0.13 -4.57 0.00 0.00 -0.22 0.00 0.00 33.01 28.09 1ykk s GLN 80 CO 0.16 -1.67 1.39 0.38 -0.25 0.00 0.00 175.29 175.30 1ykk h ASP 81 N 8.92 0.49 -1.03 5.90 2.03 -1.98 -3.26 116.42 127.50 1ykk h ASP 81 Ca -0.04 -0.35 -0.35 0.00 -0.73 0.00 0.00 57.03 55.57 1ykk h ASP 81 Cb 1.05 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.36 1ykk h ASP 81 CO 1.08 1.11 0.89 0.00 -1.03 0.00 0.00 179.24 181.29 1ykk s ALA 82 N -3.49 1.80 -0.04 4.15 0.00 -1.26 -4.94 121.76 117.97 1ykk s ALA 82 Ca -0.06 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 1ykk s ALA 82 Cb 0.10 -4.50 -0.04 0.00 0.00 0.00 0.00 23.12 18.69 1ykk s ALA 82 CO 0.85 -4.57 1.21 -0.47 0.00 0.00 0.00 175.76 172.77 1ykk s TYR 83 N 9.73 3.19 -0.20 0.00 5.04 -1.26 -5.00 117.35 128.85 1ykk s TYR 83 Ca 0.69 1.20 -0.14 0.00 -2.44 0.00 0.00 57.07 56.38 1ykk s TYR 83 Cb -0.08 -3.43 0.06 0.00 0.35 0.00 0.00 41.96 38.86 1ykk s TYR 83 CO 0.04 -1.36 0.51 1.21 -1.34 0.00 0.00 175.55 174.61 1ykk s ASN 84 N 1.47 -0.61 0.00 4.32 3.84 -1.26 -5.04 114.94 117.66 1ykk s ASN 84 Ca 0.56 1.08 0.20 0.00 0.21 0.00 0.00 52.86 54.91 1ykk s ASN 84 Cb -0.25 1.01 0.95 0.00 -0.55 0.00 0.00 41.25 42.40 1ykk s ASN 84 CO 0.23 -0.20 1.63 0.18 -2.79 0.00 0.00 177.10 176.15 1ykk n LEU 85 N 3.62 0.00 0.09 3.21 4.77 -1.26 -2.61 117.00 124.83 1ykk n LEU 85 Ca -0.18 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1ykk n LEU 85 Cb 0.56 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1ykk n LEU 85 CO 0.07 -0.12 0.30 -0.33 -1.33 0.00 0.00 177.39 175.98 1ykk h GLU 86 N 0.00 0.00 -7.08 3.23 5.08 -2.00 -3.47 114.58 110.33 1ykk h GLU 86 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1ykk h GLU 86 Cb 0.24 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.59 1ykk h GLU 86 CO 0.00 0.00 0.47 -0.80 -1.00 0.00 0.00 179.01 177.68 1ykk s ASN 87 N -4.75 5.39 0.16 1.42 0.01 -1.07 -4.95 114.94 111.15 1ykk s ASN 87 Ca 0.04 2.36 -0.07 0.00 -0.71 0.00 0.00 52.86 54.48 1ykk s ASN 87 Cb 0.11 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1ykk s ASN 87 CO 0.73 -1.45 1.49 0.00 -1.51 0.00 0.00 177.10 176.36 1ykk h ALA 88 N 1.09 0.63 -3.76 0.60 0.00 -1.91 -3.44 119.26 112.46 1ykk h ALA 88 Ca -0.50 -0.48 -0.35 0.00 0.00 0.00 0.00 54.91 53.58 1ykk h ALA 88 Cb 1.29 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 1ykk h ALA 88 CO 0.56 0.68 -0.76 0.12 0.00 0.00 0.00 179.25 179.85 1ykk s PHE 89 N -4.20 0.52 -0.10 0.00 5.36 -1.26 -0.78 117.98 117.52 1ykk s PHE 89 Ca -0.09 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 1ykk s PHE 89 Cb 0.11 -0.40 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 1ykk s PHE 89 CO 0.86 -0.06 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.57 1ykk s ASN 90 N 0.24 2.65 0.19 6.13 0.01 -0.23 -4.99 114.94 118.94 1ykk s ASN 90 Ca -0.03 -0.48 0.22 0.00 -0.71 0.00 0.00 52.86 51.87 1ykk s ASN 90 Cb -0.06 -1.21 0.90 0.00 0.41 0.00 0.00 41.25 41.28 1ykk s ASN 90 CO -0.00 0.08 1.68 -1.20 -1.51 0.00 0.00 177.10 176.15 1ykk n SER 91 N 3.84 0.53 -4.53 -1.22 7.64 -1.23 -4.70 113.62 113.95 1ykk n SER 91 Ca -0.20 0.61 -0.31 0.00 1.01 0.00 0.00 58.87 59.98 1ykk n SER 91 Cb 0.52 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.21 2.74 0.11 1.43 5.36 -1.26 -1.74 117.98 121.41 1ykk s PHE 92 Ca 0.06 -0.14 -0.25 0.00 -0.96 0.00 0.00 56.93 55.64 1ykk s PHE 92 Cb 0.10 -1.55 0.08 0.00 -0.34 0.00 0.00 43.02 41.31 1ykk s PHE 92 CO 0.40 0.32 0.67 0.20 -1.46 0.00 0.00 175.22 175.34 1ykk s GLY 93 N -1.42 -0.58 0.08 13.12 0.00 -0.90 -4.82 107.32 112.81 1ykk s GLY 93 Ca 0.16 0.67 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1ykk s GLY 93 CO 0.06 0.26 -0.18 0.50 0.00 0.00 0.00 173.10 173.74 1ykk s ARG 94 N -3.43 1.03 0.24 2.90 0.52 -0.73 -0.61 118.95 118.88 1ykk s ARG 94 Ca 0.01 -1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 54.04 1ykk s ARG 94 Cb -0.01 -1.19 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 1ykk s ARG 94 CO -0.11 0.28 0.45 -0.08 0.02 0.00 0.00 175.30 175.87 1ykk s THR 95 N -1.15 0.00 0.20 0.02 -1.32 -0.09 -1.86 115.64 111.44 1ykk s THR 95 Ca 0.04 -1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 58.91 1ykk s THR 95 Cb -0.10 -2.18 0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1ykk s THR 95 CO 0.03 -0.02 0.56 0.00 -2.21 0.00 0.00 174.62 172.99 1ykk s ALA 96 N -4.02 -1.13 -0.17 11.08 0.00 -1.26 -0.49 121.76 125.78 1ykk s ALA 96 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1ykk s ALA 96 Cb -0.00 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1ykk s ALA 96 CO 0.08 -0.82 -0.14 0.95 0.00 0.00 0.00 175.76 175.84 1ykk s THR 97 N -3.85 2.77 0.35 0.00 -4.23 -1.00 -4.15 115.64 105.53 1ykk s THR 97 Ca 0.07 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1ykk s THR 97 Cb -0.02 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1ykk s THR 97 CO -0.04 0.50 0.19 0.35 -0.54 0.00 0.00 174.62 175.09 1ykk n THR 98 N 4.17 0.00 0.37 3.99 -2.24 0.17 -3.10 114.28 117.64 1ykk n THR 98 Ca -0.19 -1.44 0.13 0.00 -2.27 0.00 0.00 64.05 60.28 1ykk n THR 98 Cb 0.52 -0.06 0.32 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.75 0.00 0.06 4.78 0.04 -1.92 -3.12 116.94 117.54 1ykk h PHE 99 Ca -0.24 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.18 1ykk h PHE 99 Cb 0.82 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 1ykk h PHE 99 CO 0.00 0.00 -2.05 -0.25 -0.60 0.00 0.00 178.31 175.41 1ykk n ASP 100 N -2.78 1.63 -3.85 2.17 8.00 -1.26 -4.73 116.55 115.72 1ykk n ASP 100 Ca 0.04 0.18 -0.30 0.00 0.71 0.00 0.00 54.79 55.42 1ykk n ASP 100 Cb 0.46 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 1ykk n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ykk s ALA 101 N -2.56 2.36 -1.59 2.24 0.00 -1.23 -4.98 121.76 116.02 1ykk s ALA 101 Ca -0.19 -2.40 0.21 0.00 0.00 0.00 0.00 51.96 49.57 1ykk s ALA 101 Cb 0.07 -1.87 1.10 0.00 0.00 0.00 0.00 23.12 22.42 1ykk s ALA 101 CO 0.76 -1.82 1.65 0.41 0.00 0.00 0.00 175.76 176.76 1ykk n GLY 102 N 4.09 -0.88 3.39 0.00 0.00 -1.18 0.45 105.19 111.06 1ykk n GLY 102 Ca 0.03 -0.11 -0.33 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 -2.41 2.94 0.25 1.61 2.12 -1.26 -4.62 118.70 117.33 1ykk s GLU 103 Ca 0.23 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 1ykk s GLU 103 Cb 0.14 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 32.00 1ykk s GLU 103 CO 0.29 0.38 0.58 1.67 -0.54 0.00 0.00 175.26 177.65 1ykk s TRP 104 N -0.10 3.42 0.05 5.30 1.48 -0.46 -4.76 118.94 123.86 1ykk s TRP 104 Ca -0.02 0.92 0.04 0.00 -1.06 0.00 0.00 56.10 55.97 1ykk s TRP 104 Cb -0.14 -2.30 -0.02 0.00 -1.16 0.00 0.00 33.47 29.85 1ykk s TRP 104 CO 0.04 0.23 -0.13 0.95 -4.06 0.00 0.00 176.95 173.98 1ykk s THR 105 N -1.87 0.99 -0.03 0.66 -4.23 -1.26 -2.60 115.64 107.29 1ykk s THR 105 Ca 0.48 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1ykk s THR 105 Cb -0.11 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1ykk s THR 105 CO 0.21 -0.10 0.06 -0.22 -0.54 0.00 0.00 174.62 174.03 1ykk s LEU 106 N -1.30 1.41 -0.29 4.79 2.96 0.93 -4.83 118.68 122.36 1ykk s LEU 106 Ca -0.01 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1ykk s LEU 106 Cb -0.08 0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.80 1ykk s LEU 106 CO 0.01 -0.07 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.95 1ykk s HIS 107 N 0.51 3.23 0.18 5.38 3.76 -0.10 -0.81 115.29 127.44 1ykk s HIS 107 Ca -0.04 -1.88 -0.04 0.00 -0.15 0.00 0.00 55.06 52.95 1ykk s HIS 107 Cb -0.06 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.58 1ykk s HIS 107 CO -0.02 -0.80 0.31 -2.37 -0.85 0.00 0.00 174.74 171.01 1ykk n THR 108 N 4.60 0.00 -3.98 1.30 5.66 -1.09 -0.87 114.28 119.91 1ykk n THR 108 Ca -0.14 -0.69 -0.22 0.00 -3.05 0.00 0.00 64.05 59.95 1ykk n THR 108 Cb 0.44 0.51 -0.05 0.00 -1.55 0.00 0.00 70.33 69.68 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 -2.59 3.41 -0.04 1.08 -7.23 -1.26 -0.59 120.40 113.18 1ykk s VAL 109 Ca 0.11 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1ykk s VAL 109 Cb -0.01 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 1ykk s VAL 109 CO 0.08 -0.20 1.14 -0.75 -0.31 0.00 0.00 175.10 175.06 1ykk s LYS 110 N -3.91 4.40 0.48 4.82 2.20 -0.71 -4.83 119.74 122.20 1ykk s LYS 110 Ca 0.38 1.60 -0.23 0.00 -0.36 0.00 0.00 55.97 57.37 1ykk s LYS 110 Cb -0.05 -3.51 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1ykk s LYS 110 CO 0.25 -0.35 1.25 -1.25 -0.36 0.00 0.00 175.35 174.89 1ykk s PRO 111 N 1.87 3.56 0.79 4.03 0.04 -1.26 -4.09 135.00 139.93 1ykk s PRO 111 Ca 0.54 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 1ykk s PRO 111 Cb -0.24 -2.39 0.12 0.00 0.04 0.00 0.00 34.50 32.03 1ykk s PRO 111 CO 0.23 -0.78 1.11 0.20 0.04 0.00 0.00 177.00 177.80 1ykk s GLY 112 N -1.14 1.72 0.18 0.56 0.00 0.87 -4.73 107.32 104.78 1ykk s GLY 112 Ca 0.66 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 1ykk s GLY 112 CO 0.41 -0.60 1.09 0.14 0.00 0.00 0.00 173.10 174.14 1ykk s VAL 113 N -3.43 3.90 0.05 1.40 1.01 -1.26 -4.49 120.40 117.57 1ykk s VAL 113 Ca 0.65 1.64 0.07 0.00 0.00 0.00 0.00 61.98 64.34 1ykk s VAL 113 Cb -0.08 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1ykk s VAL 113 CO 0.47 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 176.34 1ykk s VAL 114 N -0.24 1.55 0.27 2.92 -7.23 -1.25 -4.50 120.40 111.91 1ykk s VAL 114 Ca 0.49 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 59.41 1ykk s VAL 114 Cb -0.29 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 1ykk s VAL 114 CO 0.35 0.13 0.55 0.20 -0.31 0.00 0.00 175.10 176.02 1ykk s ASN 115 N -1.25 6.48 0.90 4.85 0.01 -1.26 -1.25 114.94 123.43 1ykk s ASN 115 Ca 0.06 0.76 -0.06 0.00 -0.71 0.00 0.00 52.86 52.91 1ykk s ASN 115 Cb -0.09 -2.16 0.09 0.00 0.41 0.00 0.00 41.25 39.50 1ykk s ASN 115 CO 0.02 -0.17 0.55 -0.46 -1.51 0.00 0.00 177.10 175.54 1ykk n ASN 116 N -0.74 0.16 -0.24 -1.22 0.23 -0.17 -4.88 115.26 108.40 1ykk n ASN 116 Ca -0.01 -1.28 0.06 0.00 -0.53 0.00 0.00 54.58 52.82 1ykk n ASN 116 Cb 0.53 -0.41 0.30 0.00 -2.08 0.00 0.00 39.78 38.13 1ykk n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ykk h ALA 117 N -1.61 1.62 0.00 -2.53 0.00 -1.99 -1.76 119.26 112.99 1ykk h ALA 117 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ykk h ALA 117 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ykk h ALA 117 CO 0.14 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1ykk n ALA 118 N -2.42 2.31 -0.22 0.00 0.00 -1.26 -4.90 120.51 114.02 1ykk n ALA 118 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ykk n ALA 118 Cb 0.22 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.28 0.64 3.71 0.00 0.00 -0.66 -5.07 105.19 105.09 1ykk n GLY 119 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.40 4.89 0.19 1.61 1.01 -1.26 -4.71 120.40 119.72 1ykk s VAL 120 Ca 0.00 1.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1ykk s VAL 120 Cb 0.00 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1ykk s VAL 120 CO 0.00 0.19 1.53 -2.84 0.00 0.00 0.00 175.10 173.98 1ykk s PRO 121 N 0.91 4.23 -0.02 2.72 0.02 -1.26 -1.00 135.00 140.60 1ykk s PRO 121 Ca 0.49 2.34 -0.05 0.00 0.02 0.00 0.00 61.00 63.80 1ykk s PRO 121 Cb -0.20 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1ykk s PRO 121 CO 0.26 -0.55 0.20 -1.64 -0.33 0.00 0.00 177.00 174.94 1ykk s MET 122 N 0.70 3.49 0.72 5.54 -1.94 -0.38 -4.40 119.30 123.04 1ykk s MET 122 Ca 0.67 -0.21 -0.14 0.00 -1.71 0.00 0.00 55.69 54.30 1ykk s MET 122 Cb -0.43 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.34 1ykk s MET 122 CO 0.35 0.68 1.14 0.00 -0.01 0.00 0.00 175.02 177.18 1ykk s ALA 123 N -1.27 2.22 -0.06 3.03 0.00 -1.26 -3.93 121.76 120.50 1ykk s ALA 123 Ca 0.25 0.62 -0.34 0.00 0.00 0.00 0.00 51.96 52.49 1ykk s ALA 123 Cb -0.13 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 1ykk s ALA 123 CO 0.15 -1.69 1.84 -2.30 0.00 0.00 0.00 175.76 173.76 1ykk n PRO 124 N -2.86 2.17 -4.03 0.00 -0.02 -1.26 -4.86 135.00 124.14 1ykk n PRO 124 Ca 0.11 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.30 1ykk n PRO 124 Cb 0.52 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.63 0.54 -0.10 6.00 -3.43 -1.26 -4.32 115.29 116.35 1ykk s HIS 125 Ca 0.91 -0.96 0.01 0.00 -0.80 0.00 0.00 55.06 54.22 1ykk s HIS 125 Cb -0.69 -0.27 0.02 0.00 -1.43 0.00 0.00 32.58 30.20 1ykk s HIS 125 CO 0.50 -0.55 -0.12 0.42 -2.00 0.00 0.00 174.74 172.99 1ykk s ILE 126 N -3.97 1.25 -0.18 -5.38 1.01 -0.82 -4.63 121.20 108.49 1ykk s ILE 126 Ca 0.15 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 1ykk s ILE 126 Cb 0.06 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1ykk s ILE 126 CO -0.04 0.39 0.86 0.20 0.00 0.00 0.00 174.94 176.36 1ykk s ASN 127 N 1.15 6.97 0.01 3.58 0.01 0.09 -0.95 114.94 125.79 1ykk s ASN 127 Ca -0.05 1.20 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 1ykk s ASN 127 Cb -0.14 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1ykk s ASN 127 CO -0.03 -0.43 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.30 1ykk s ILE 128 N 2.28 2.58 -0.14 0.60 1.01 -0.16 -0.53 121.20 126.83 1ykk s ILE 128 Ca 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1ykk s ILE 128 Cb -0.16 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.31 1ykk s ILE 128 CO 0.12 0.44 -0.11 -0.44 0.00 0.00 0.00 174.94 174.95 1ykk s SER 129 N -1.09 2.61 -0.22 3.58 0.01 -0.27 -1.27 113.70 117.04 1ykk s SER 129 Ca 0.13 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 1ykk s SER 129 Cb -0.10 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1ykk s SER 129 CO 0.02 -0.10 0.09 -0.22 0.41 0.00 0.00 173.24 173.45 1ykk s LEU 130 N 1.56 3.76 0.09 2.44 2.96 -0.10 -1.29 118.68 128.11 1ykk s LEU 130 Ca 0.04 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1ykk s LEU 130 Cb -0.13 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1ykk s LEU 130 CO -0.09 0.07 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.44 1ykk s PHE 131 N 1.01 1.75 0.00 5.38 0.40 0.73 -1.95 117.98 125.30 1ykk s PHE 131 Ca 0.05 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1ykk s PHE 131 Cb -0.14 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1ykk s PHE 131 CO 0.03 0.18 0.00 0.00 0.70 0.00 0.00 175.22 176.14 1ykk n ALA 132 N 1.17 0.00 -1.83 5.36 0.00 -1.26 0.24 120.51 124.19 1ykk n ALA 132 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1ykk n ALA 132 Cb 0.54 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 4.33 0.00 0.00 1.70 -1.25 -2.26 118.95 119.47 1ykk s ARG 133 Ca 0.00 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 57.49 1ykk s ARG 133 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1ykk s ARG 133 CO 0.00 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.36 1ykk n GLY 134 N 1.40 1.61 3.23 3.88 0.00 -1.26 -4.98 105.19 109.07 1ykk n GLY 134 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.33 4.26 0.17 -0.61 1.01 -0.96 -4.97 121.20 117.78 1ykk s ILE 135 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 60.65 58.85 1ykk s ILE 135 Cb 0.00 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1ykk s ILE 135 CO 0.00 -0.72 1.73 0.78 0.00 0.00 0.00 174.94 176.74 1ykk h ASN 136 N 8.46 0.79 -4.02 3.58 2.35 -1.90 -3.36 115.58 121.48 1ykk h ASN 136 Ca -0.22 -0.16 -0.45 0.00 -0.55 0.00 0.00 56.30 54.92 1ykk h ASN 136 Cb 1.08 -0.21 -0.30 0.00 0.05 0.00 0.00 38.32 38.94 1ykk h ASN 136 CO 0.84 0.74 -0.80 -0.51 -1.65 0.00 0.00 177.43 176.05 1ykk s ILE 137 N -5.58 0.95 0.57 2.81 2.07 -1.26 -3.05 121.20 117.70 1ykk s ILE 137 Ca -0.13 -0.49 -0.20 0.00 -1.41 0.00 0.00 60.65 58.42 1ykk s ILE 137 Cb 0.13 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 1ykk s ILE 137 CO 0.79 0.28 1.16 0.00 -1.91 0.00 0.00 174.94 175.26 1ykk n HIS 138 N 2.97 1.56 -3.57 3.50 1.44 -1.26 -4.99 115.22 114.87 1ykk n HIS 138 Ca -0.16 0.45 -0.36 0.00 -2.01 0.00 0.00 57.72 55.64 1ykk n HIS 138 Cb 0.55 -2.25 -0.08 0.00 0.12 0.00 0.00 29.99 28.33 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 -2.67 4.20 -0.21 2.39 1.43 -0.82 -4.91 118.68 118.09 1ykk s LEU 139 Ca 0.74 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 1ykk s LEU 139 Cb -0.43 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1ykk s LEU 139 CO 0.48 0.08 0.21 -1.00 0.23 0.00 0.00 176.35 176.35 1ykk s HIS 140 N 0.70 3.38 0.26 0.29 3.76 -1.26 -0.92 115.29 121.50 1ykk s HIS 140 Ca 0.14 0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 55.39 1ykk s HIS 140 Cb -0.13 -2.29 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1ykk s HIS 140 CO 0.04 0.15 0.33 -0.08 -0.85 0.00 0.00 174.74 174.32 1ykk s THR 141 N 0.80 0.00 0.02 1.30 -1.32 -0.40 0.20 115.64 116.24 1ykk s THR 141 Ca 0.11 -1.73 0.05 0.00 -1.21 0.00 0.00 61.69 58.91 1ykk s THR 141 Cb -0.13 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 1ykk s THR 141 CO 0.03 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.15 1ykk s ARG 142 N -3.79 1.17 -0.32 7.08 0.52 -1.26 -0.99 118.95 121.36 1ykk s ARG 142 Ca 0.32 -0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 1ykk s ARG 142 Cb 0.03 -1.18 0.01 0.00 0.52 0.00 0.00 34.95 34.32 1ykk s ARG 142 CO 0.15 0.31 0.13 -1.17 0.02 0.00 0.00 175.30 174.74 1ykk s LEU 143 N -0.82 4.13 0.40 2.53 0.20 -0.13 -4.74 118.68 120.25 1ykk s LEU 143 Ca 0.05 -0.70 0.08 0.00 0.69 0.00 0.00 54.13 54.25 1ykk s LEU 143 Cb -0.07 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1ykk s LEU 143 CO 0.01 -0.23 0.42 -0.31 -0.29 0.00 0.00 176.35 175.95 1ykk s TYR 144 N 1.55 2.79 -0.03 5.38 1.51 0.94 -1.94 117.35 127.55 1ykk s TYR 144 Ca 0.03 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1ykk s TYR 144 Cb -0.18 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1ykk s TYR 144 CO 0.05 -0.15 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.06 1ykk s PHE 145 N -2.40 2.48 0.31 2.71 0.40 -1.26 -0.28 117.98 119.94 1ykk s PHE 145 Ca 0.49 -0.35 0.29 0.00 -0.60 0.00 0.00 56.93 56.75 1ykk s PHE 145 Cb -0.06 -1.56 1.38 0.00 0.51 0.00 0.00 43.02 43.30 1ykk s PHE 145 CO 0.29 0.03 2.02 0.38 0.70 0.00 0.00 175.22 178.64 1ykk h ASP 146 N 5.47 0.00 -0.29 1.36 2.03 -1.77 -2.68 116.42 120.54 1ykk h ASP 146 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1ykk h ASP 146 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1ykk h ASP 146 CO 0.48 0.12 0.00 -0.90 -1.03 0.00 0.00 179.24 177.91 1ykk n ASP 147 N -3.44 1.55 -1.17 4.15 5.75 -1.26 -3.52 116.55 118.60 1ykk n ASP 147 Ca -0.01 -2.00 -0.02 0.00 -0.01 0.00 0.00 54.79 52.74 1ykk n ASP 147 Cb 0.29 -0.20 0.13 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.34 1.98 -0.10 0.11 -0.58 -1.01 -4.88 120.64 116.50 1ykk n GLU 148 Ca 0.10 -3.42 0.23 0.00 -0.42 0.00 0.00 57.16 53.65 1ykk n GLU 148 Cb 0.25 -1.64 0.68 0.00 -0.57 0.00 0.00 31.44 30.16 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 1.39 2.58 -0.06 0.62 0.00 -1.73 -0.53 119.26 121.53 1ykk h ALA 149 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ykk h ALA 149 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ykk h ALA 149 CO 0.22 -0.79 -0.06 1.96 0.00 0.00 0.00 179.25 180.58 1ykk h GLN 150 N 0.06 0.15 -0.37 0.00 4.20 -1.92 -2.80 115.11 114.42 1ykk h GLN 150 Ca 0.34 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 1ykk h GLN 150 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1ykk h GLN 150 CO -0.02 0.59 -0.27 0.00 -0.67 0.00 0.00 178.83 178.46 1ykk h ALA 151 N 0.55 0.82 -0.09 3.87 0.00 -1.79 -3.15 119.26 119.48 1ykk h ALA 151 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ykk h ALA 151 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ykk h ALA 151 CO 0.01 0.64 -0.10 -0.91 0.00 0.00 0.00 179.25 178.90 1ykk h ASN 152 N 0.67 0.12 1.76 0.00 2.35 -1.15 -1.76 115.58 117.57 1ykk h ASN 152 Ca 0.08 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1ykk h ASN 152 Cb 0.79 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1ykk h ASN 152 CO 0.07 0.24 -0.21 0.00 -1.65 0.00 0.00 177.43 175.88 1ykk h ALA 153 N 1.78 0.87 0.00 -0.83 0.00 -1.45 -3.26 119.26 116.36 1ykk h ALA 153 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ykk h ALA 153 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ykk h ALA 153 CO 0.01 0.26 -1.34 1.63 0.00 0.00 0.00 179.25 179.81 1ykk n LYS 154 N -3.16 0.26 -1.68 0.00 4.76 -1.02 -4.92 118.16 112.41 1ykk n LYS 154 Ca 0.03 -0.07 -0.47 0.00 -2.87 0.00 0.00 58.31 54.93 1ykk n LYS 154 Cb 0.61 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 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 9.44 0.00 0.04 0.00 0.13 -1.92 -1.86 132.00 137.84 1ykk h PRO 156 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1ykk h PRO 156 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1ykk h PRO 156 CO 0.95 0.10 -0.28 0.28 -0.23 0.00 0.00 178.00 178.82 1ykk h VAL 157 N 0.00 1.67 0.00 1.56 2.07 -1.94 -3.18 116.25 116.43 1ykk h VAL 157 Ca -0.00 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.15 1ykk h VAL 157 Cb 0.24 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1ykk h VAL 157 CO 0.01 0.62 -0.23 0.25 0.02 0.00 0.00 177.57 178.24 1ykk h LEU 158 N -0.73 0.00 -0.00 2.57 5.85 -1.86 -2.21 115.31 118.93 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 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ykk h LEU 158 CO 0.05 0.23 -0.02 0.59 -0.34 0.00 0.00 178.44 178.96 1ykk n ASN 159 N -4.10 0.02 -0.00 1.25 3.02 -0.71 -3.08 115.26 111.66 1ykk n ASN 159 Ca -0.02 0.40 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 1ykk n ASN 159 Cb 0.30 -0.45 0.66 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.47 0.02 -4.52 3.41 4.77 -0.83 -4.57 117.00 113.81 1ykk n LEU 160 Ca 0.08 0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 56.03 1ykk n LEU 160 Cb 0.33 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1ykk n LEU 160 CO 0.27 0.00 0.57 -0.63 -1.33 0.00 0.00 177.39 176.27 1ykk s ILE 161 N -2.84 4.61 0.21 -0.08 1.01 -1.18 -4.96 121.20 117.98 1ykk s ILE 161 Ca 0.19 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 1ykk s ILE 161 Cb 0.19 -4.38 0.22 0.00 0.01 0.00 0.00 42.46 38.50 1ykk s ILE 161 CO 0.51 -0.86 1.58 -0.33 0.00 0.00 0.00 174.94 175.85 1ykk h GLU 162 N 9.09 -0.07 -5.33 2.79 5.08 -1.89 -3.41 114.58 120.83 1ykk h GLU 162 Ca -0.26 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.50 1ykk h GLU 162 Cb 1.08 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.23 1ykk h GLU 162 CO 1.00 -0.05 -0.26 -0.65 -1.00 0.00 0.00 179.01 178.05 1ykk s GLN 163 N -6.07 4.14 0.32 2.33 -1.52 -1.26 -5.00 119.66 112.59 1ykk s GLN 163 Ca -0.14 0.10 0.07 0.00 -1.95 0.00 0.00 55.36 53.43 1ykk s GLN 163 Cb 0.19 -3.55 0.75 0.00 -0.22 0.00 0.00 33.01 30.18 1ykk s GLN 163 CO 0.72 -0.05 1.81 -1.35 -0.25 0.00 0.00 175.29 176.17 1ykk h PRO 164 N 7.49 0.75 -0.01 2.91 0.11 -1.98 -2.38 132.00 138.89 1ykk h PRO 164 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ykk h PRO 164 Cb 1.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ykk h PRO 164 CO 0.70 0.49 0.00 1.96 -0.21 0.00 0.00 178.00 180.95 1ykk h GLN 165 N 0.77 0.00 0.00 1.05 7.50 -1.96 -2.18 115.11 120.28 1ykk h GLN 165 Ca 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.67 1ykk h GLN 165 Cb 0.82 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.35 1ykk h GLN 165 CO -0.31 0.00 -0.36 0.00 -1.50 0.00 0.00 178.83 176.66 1ykk h ARG 166 N 0.00 0.00 -0.03 1.46 3.08 -1.83 -3.27 114.38 113.80 1ykk h ARG 166 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1ykk h ARG 166 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ykk h ARG 166 CO -0.00 0.05 -0.55 0.00 -1.07 0.00 0.00 179.97 178.40 1ykk h ARG 167 N 0.00 0.07 0.00 0.04 3.08 -1.44 -2.98 114.38 113.16 1ykk h ARG 167 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ykk h ARG 167 Cb 1.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1ykk h ARG 167 CO 0.01 0.61 -0.04 0.93 -1.07 0.00 0.00 179.97 180.40 1ykk h GLU 168 N 0.06 0.00 0.00 0.04 5.08 -1.61 -2.46 114.58 115.70 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 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ykk h GLU 168 CO 0.08 0.04 0.00 1.79 -1.00 0.00 0.00 179.01 179.92 1ykk h THR 169 N 0.00 0.00 -0.01 1.13 1.35 -1.70 -2.92 112.91 110.77 1ykk h THR 169 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1ykk h THR 169 Cb 0.15 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ykk h THR 169 CO 0.01 0.00 -0.61 0.18 -0.25 0.00 0.00 175.52 174.85 1ykk n LEU 170 N -2.59 1.34 -4.57 3.87 4.77 -0.92 -4.77 117.00 114.13 1ykk n LEU 170 Ca 0.03 -0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 1ykk n LEU 170 Cb 0.33 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1ykk n LEU 170 CO 0.26 0.27 0.30 -0.63 -1.33 0.00 0.00 177.39 176.27 1ykk s ILE 171 N -2.71 4.96 0.04 -0.08 1.01 -1.10 -0.04 121.20 123.28 1ykk s ILE 171 Ca 0.15 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 1ykk s ILE 171 Cb 0.18 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1ykk s ILE 171 CO 0.67 -0.23 0.99 0.00 0.00 0.00 0.00 174.94 176.37 1ykk s ALA 172 N 2.53 3.21 -0.03 9.38 0.00 0.62 -4.85 121.76 132.61 1ykk s ALA 172 Ca 0.22 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1ykk s ALA 172 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1ykk s ALA 172 CO 0.14 -0.18 0.97 0.15 0.00 0.00 0.00 175.76 176.84 1ykk s LYS 173 N 0.65 4.52 0.10 0.00 1.02 -0.69 -2.21 119.74 123.14 1ykk s LYS 173 Ca 0.51 1.38 -0.30 0.00 0.02 0.00 0.00 55.97 57.58 1ykk s LYS 173 Cb -0.22 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 33.55 1ykk s LYS 173 CO 0.29 -0.10 1.09 0.50 -0.92 0.00 0.00 175.35 176.21 1ykk s ARG 174 N 1.22 4.56 0.24 1.68 3.52 -1.26 -0.17 118.95 128.73 1ykk s ARG 174 Ca 0.50 1.65 -0.04 0.00 -0.13 0.00 0.00 55.73 57.71 1ykk s ARG 174 Cb -0.20 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1ykk s ARG 174 CO 0.25 -0.02 0.29 0.00 -0.81 0.00 0.00 175.30 175.01 1ykk s GLU 176 N -3.93 1.92 -0.34 0.00 2.02 -1.26 -1.71 118.70 115.40 1ykk s GLU 176 Ca 0.33 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.33 1ykk s GLU 176 Cb 0.03 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1ykk s GLU 176 CO 0.13 -0.49 0.10 0.08 0.02 0.00 0.00 175.26 175.10 1ykk s VAL 177 N 1.37 3.63 -1.48 2.63 1.01 -0.99 -4.69 120.40 121.87 1ykk s VAL 177 Ca -0.03 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1ykk s VAL 177 Cb -0.17 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ykk s VAL 177 CO -0.07 -0.23 0.78 0.47 0.00 0.00 0.00 175.10 176.05 1ykk n ASP 178 N 4.77 -5.82 -0.39 3.32 8.00 -1.26 -2.35 116.55 122.81 1ykk n ASP 178 Ca -0.12 -0.41 -0.05 0.00 0.71 0.00 0.00 54.79 54.93 1ykk n ASP 178 Cb 0.44 -4.67 -0.02 0.00 -0.02 0.00 0.00 41.12 36.85 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 -1.63 0.64 3.21 0.44 0.00 -1.26 -5.03 105.19 101.55 1ykk n GLY 179 Ca -0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.71 2.16 -0.03 1.61 2.47 -0.99 -5.10 119.74 117.16 1ykk s LYS 180 Ca 0.00 -0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 53.34 1ykk s LYS 180 Cb 0.00 -1.87 -0.07 0.00 -1.46 0.00 0.00 37.83 34.43 1ykk s LYS 180 CO 0.00 0.34 1.84 0.99 0.16 0.00 0.00 175.35 178.68 1ykk s THR 181 N -0.12 3.27 0.04 3.43 2.01 -1.26 -2.35 115.64 120.67 1ykk s THR 181 Ca -0.02 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1ykk s THR 181 Cb -0.12 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1ykk s THR 181 CO 0.03 -0.04 -0.15 0.00 -0.69 0.00 0.00 174.62 173.77 1ykk s ALA 182 N 4.57 1.22 -0.11 7.40 0.00 -0.69 -0.84 121.76 133.31 1ykk s ALA 182 Ca 0.82 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1ykk s ALA 182 Cb -0.37 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1ykk s ALA 182 CO 0.36 0.23 -0.14 0.71 0.00 0.00 0.00 175.76 176.92 1ykk s TYR 183 N -0.90 1.86 -0.26 0.00 1.51 -0.28 -0.45 117.35 118.83 1ykk s TYR 183 Ca 0.02 -0.88 -0.15 0.00 -1.01 0.00 0.00 57.07 55.05 1ykk s TYR 183 Cb -0.08 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1ykk s TYR 183 CO 0.01 -0.47 0.37 0.50 -1.11 0.00 0.00 175.55 174.85 1ykk s ARG 184 N 1.08 4.03 -0.31 -0.62 3.52 0.76 -2.03 118.95 125.39 1ykk s ARG 184 Ca -0.05 0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1ykk s ARG 184 Cb -0.14 -3.64 0.09 0.00 -1.56 0.00 0.00 34.95 29.70 1ykk s ARG 184 CO -0.03 -0.24 0.05 0.12 -0.81 0.00 0.00 175.30 174.39 1ykk s PHE 185 N 1.95 2.86 -0.08 5.12 5.36 0.30 -1.70 117.98 131.77 1ykk s PHE 185 Ca 0.15 -2.37 -0.14 0.00 -0.96 0.00 0.00 56.93 53.61 1ykk s PHE 185 Cb -0.16 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 1ykk s PHE 185 CO 0.10 -0.90 0.35 -0.51 -1.46 0.00 0.00 175.22 172.80 1ykk s ASP 186 N 1.22 6.62 -0.21 6.13 1.01 -1.26 -4.03 116.67 126.15 1ykk s ASP 186 Ca 0.07 0.73 -0.07 0.00 0.71 0.00 0.00 52.55 54.00 1ykk s ASP 186 Cb -0.18 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1ykk s ASP 186 CO -0.13 0.21 0.05 -0.63 0.21 0.00 0.00 175.17 174.88 1ykk s ILE 187 N -0.32 4.38 -0.38 0.77 1.01 -0.66 -4.97 121.20 121.02 1ykk s ILE 187 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1ykk s ILE 187 Cb -0.15 -3.00 0.09 0.00 0.01 0.00 0.00 42.46 39.41 1ykk s ILE 187 CO 0.09 0.40 0.16 -0.13 0.00 0.00 0.00 174.94 175.46 1ykk s ARG 188 N 1.02 2.15 0.27 2.79 0.52 -1.26 -0.60 118.95 123.84 1ykk s ARG 188 Ca 0.03 -1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 53.56 1ykk s ARG 188 Cb -0.14 -3.50 0.36 0.00 0.52 0.00 0.00 34.95 32.19 1ykk s ARG 188 CO 0.03 -0.95 1.93 0.82 0.02 0.00 0.00 175.30 177.15 1ykk h ILE 189 N 6.36 1.23 -3.39 1.52 2.04 -1.56 0.68 117.51 124.40 1ykk h ILE 189 Ca -0.16 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.09 1ykk h ILE 189 Cb 1.05 0.01 -0.20 0.00 -0.74 0.00 0.00 36.82 36.94 1ykk h ILE 189 CO 0.66 0.24 -0.41 -1.58 0.00 0.00 0.00 178.15 177.06 1ykk s GLN 190 N -5.90 0.58 0.84 2.37 0.74 -1.26 -4.71 119.66 112.32 1ykk s GLN 190 Ca -0.12 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1ykk s GLN 190 Cb 0.17 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.53 1ykk s GLN 190 CO 0.81 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1ykk n GLY 191 N 1.23 0.39 3.69 2.59 0.00 -1.26 -4.19 105.19 107.64 1ykk n GLY 191 Ca -0.22 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 4.29 -0.11 1.61 2.12 -1.26 -2.64 118.70 122.72 1ykk s GLU 192 Ca 0.00 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.23 1ykk s GLU 192 Cb 0.00 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1ykk s GLU 192 CO 0.00 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1ykk n GLY 193 N 3.59 0.42 3.68 -1.50 0.00 -1.26 -4.98 105.19 105.14 1ykk n GLY 193 Ca 0.13 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.42 2.33 -2.11 1.61 2.13 -1.08 -4.59 120.64 116.51 1ykk n GLU 194 Ca -0.01 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 58.24 1ykk n GLU 194 Cb 0.18 -2.65 -0.02 0.00 0.27 0.00 0.00 31.44 29.21 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 1.63 2.73 0.06 6.31 2.01 0.23 -4.94 115.64 123.68 1ykk s THR 195 Ca 0.81 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 63.22 1ykk s THR 195 Cb -0.63 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1ykk s THR 195 CO 0.39 0.16 1.33 -0.69 -0.69 0.00 0.00 174.62 175.13 1ykk s VAL 196 N -0.97 3.66 -0.00 3.82 1.01 -1.26 -4.96 120.40 121.70 1ykk s VAL 196 Ca 0.50 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.69 1ykk s VAL 196 Cb -0.40 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1ykk s VAL 196 CO 0.51 0.06 -0.18 -0.36 0.00 0.00 0.00 175.10 175.13 1ykk s PHE 197 N 1.52 2.56 0.31 5.22 0.08 -1.26 -4.67 117.98 121.75 1ykk s PHE 197 Ca 0.62 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.49 1ykk s PHE 197 Cb -0.33 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 1ykk s PHE 197 CO 0.28 0.18 0.32 -0.06 -0.10 0.00 0.00 175.22 175.84 1ykk s PHE 198 N -0.80 3.04 -0.02 0.36 0.08 0.13 -4.98 117.98 115.78 1ykk s PHE 198 Ca 0.13 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1ykk s PHE 198 Cb -0.10 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1ykk s PHE 198 CO 0.02 0.22 -0.04 0.34 -0.10 0.00 0.00 175.22 175.67 1ykk s ASP 199 N -4.01 0.66 0.00 1.36 3.68 -1.26 -4.28 116.67 112.83 1ykk s ASP 199 Ca 0.40 -0.09 0.00 0.00 2.13 0.00 0.00 52.55 54.99 1ykk s ASP 199 Cb -0.07 -0.24 0.00 0.00 -1.45 0.00 0.00 42.92 41.16 1ykk s ASP 199 CO 0.27 -0.02 0.00 2.22 0.13 0.00 0.00 175.17 177.77