#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykn s ILE 2 N 0.00 4.57 -0.22 4.25 -1.09 -1.26 -5.03 121.20 122.41 1ykn s ILE 2 Ca 0.00 1.88 -0.07 0.00 -2.23 0.00 0.00 60.65 60.23 1ykn s ILE 2 Cb 0.00 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1ykn s ILE 2 CO 0.00 -0.13 0.06 -1.61 -1.23 0.00 0.00 174.94 172.03 1ykn s GLU 3 N 3.04 3.75 0.75 2.79 0.41 -1.26 -5.14 118.70 123.04 1ykn s GLU 3 Ca 0.48 -0.44 -0.05 0.00 -0.41 0.00 0.00 54.97 54.55 1ykn s GLU 3 Cb -0.18 -3.26 0.12 0.00 -1.78 0.00 0.00 34.13 29.04 1ykn s GLU 3 CO 0.11 -0.02 1.04 -0.51 -0.49 0.00 0.00 175.26 175.39 1ykn s LEU 4 N 1.15 2.92 0.38 1.80 1.02 -1.26 -5.03 118.68 119.66 1ykn s LEU 4 Ca 0.04 -0.05 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 1ykn s LEU 4 Cb -0.14 -2.34 -0.11 0.00 0.02 0.00 0.00 46.19 43.62 1ykn s LEU 4 CO 0.03 -1.92 1.47 0.18 0.02 0.00 0.00 176.35 176.13 1ykn n LEU 5 N -2.99 4.71 -4.79 1.79 4.77 -1.26 -4.97 117.00 114.26 1ykn n LEU 5 Ca 0.13 1.22 -0.34 0.00 -0.03 0.00 0.00 56.01 56.99 1ykn n LEU 5 Cb 0.60 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1ykn n LEU 5 CO 0.45 0.10 0.74 -2.84 -1.33 0.00 0.00 177.39 174.52 1ykn s PRO 6 N -2.10 3.60 0.30 3.23 0.02 -1.26 -5.01 135.00 133.79 1ykn s PRO 6 Ca 0.54 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 1ykn s PRO 6 Cb -0.48 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.89 1ykn s PRO 6 CO 0.64 -0.61 1.17 -2.00 -0.33 0.00 0.00 177.00 175.86 1ykn s GLU 7 N -3.28 4.51 0.02 5.54 2.12 -1.26 -4.92 118.70 121.43 1ykn s GLU 7 Ca 0.69 1.93 -0.36 0.00 0.36 0.00 0.00 54.97 57.60 1ykn s GLU 7 Cb -0.19 -3.11 -0.15 0.00 0.26 0.00 0.00 34.13 30.94 1ykn s GLU 7 CO 0.23 0.05 1.59 2.41 -0.54 0.00 0.00 175.26 179.01 1ykn n THR 8 N 0.98 0.17 -1.61 -1.70 -1.04 -1.26 -4.92 114.28 104.90 1ykn n THR 8 Ca -0.00 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.63 1ykn n THR 8 Cb 0.44 -1.34 0.07 0.00 -1.82 0.00 0.00 70.33 67.68 1ykn n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykn s PRO 9 N 1.83 2.40 0.49 -2.82 0.02 -1.26 -5.02 135.00 130.64 1ykn s PRO 9 Ca 0.86 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 63.50 1ykn s PRO 9 Cb -0.82 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 31.75 1ykn s PRO 9 CO 0.48 -1.64 0.96 0.45 -0.33 0.00 0.00 177.00 176.92 1ykn s SER 10 N -1.91 6.67 0.12 2.53 0.15 -1.26 -5.09 113.70 114.91 1ykn s SER 10 Ca 0.75 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.97 1ykn s SER 10 Cb -0.30 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.47 1ykn s SER 10 CO 0.42 -0.53 -0.03 -1.10 1.20 0.00 0.00 173.24 173.20 1ykn s GLN 11 N -3.88 0.92 0.67 5.44 -1.52 -1.23 -4.92 119.66 115.13 1ykn s GLN 11 Ca 0.59 -1.40 -0.17 0.00 -1.95 0.00 0.00 55.36 52.42 1ykn s GLN 11 Cb -0.10 -0.16 -0.01 0.00 -0.22 0.00 0.00 33.01 32.53 1ykn s GLN 11 CO 0.28 -0.08 1.18 -2.37 -0.25 0.00 0.00 175.29 174.05 1ykn n THR 12 N -0.10 4.18 0.22 -0.19 5.66 -1.21 -4.79 114.28 118.06 1ykn n THR 12 Ca -0.10 -0.45 0.11 0.00 -3.05 0.00 0.00 64.05 60.56 1ykn n THR 12 Cb 0.62 -1.35 0.36 0.00 -1.55 0.00 0.00 70.33 68.41 1ykn n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykn h ALA 13 N 0.26 0.95 0.00 1.79 0.00 -1.73 -3.49 119.26 117.04 1ykn h ALA 13 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ykn h ALA 13 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ykn h ALA 13 CO 0.51 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1ykn n GLY 14 N 0.60 -1.60 0.26 0.00 0.00 -1.26 -4.20 105.19 99.00 1ykn n GLY 14 Ca 0.02 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.66 1ykn n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykn h PRO 15 N 0.00 0.00 -0.67 1.61 0.13 -1.93 -3.16 132.00 127.99 1ykn h PRO 15 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1ykn h PRO 15 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1ykn h PRO 15 CO 0.00 0.00 -0.73 0.66 -0.23 0.00 0.00 178.00 177.70 1ykn n TYR 16 N -2.92 2.43 0.30 1.56 4.01 -1.26 -4.60 117.16 116.68 1ykn n TYR 16 Ca -0.00 -2.15 0.19 0.00 -0.16 0.00 0.00 57.90 55.77 1ykn n TYR 16 Cb 0.22 -0.36 0.84 0.00 -0.31 0.00 0.00 39.34 39.74 1ykn n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykn h VAL 17 N 2.00 0.00 0.00 -0.72 3.04 -1.71 0.74 116.25 119.59 1ykn h VAL 17 Ca 0.33 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1ykn h VAL 17 Cb 1.46 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1ykn h VAL 17 CO 0.69 0.00 -0.08 0.45 -1.01 0.00 0.00 177.57 177.62 1ykn h HIS 18 N 0.00 0.00 0.00 3.17 3.86 -1.86 -0.28 115.15 120.04 1ykn h HIS 18 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1ykn h HIS 18 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1ykn h HIS 18 CO 0.00 0.08 -0.26 -0.84 0.86 0.00 0.00 177.93 177.77 1ykn h ILE 19 N 0.00 0.59 0.00 2.45 3.07 -1.09 -1.61 117.51 120.92 1ykn h ILE 19 Ca -0.00 -1.25 -0.10 0.00 1.55 0.00 0.00 64.86 65.05 1ykn h ILE 19 Cb 0.27 1.85 -0.02 0.00 -0.27 0.00 0.00 36.82 38.65 1ykn h ILE 19 CO 0.01 0.25 -1.87 0.61 -1.05 0.00 0.00 178.15 176.10 1ykn n GLY 20 N 0.30 -0.76 0.00 0.16 0.00 -1.07 -4.70 105.19 99.11 1ykn n GLY 20 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.69 1ykn n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykn n LEU 21 N -2.25 0.07 -3.01 0.99 4.77 -0.14 -4.84 117.00 112.58 1ykn n LEU 21 Ca -0.11 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.25 1ykn n LEU 21 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1ykn n LEU 21 CO 0.34 0.02 -0.06 0.00 -1.33 0.00 0.00 177.39 176.36 1ykn n ALA 22 N -1.06 0.06 -0.06 -1.18 0.00 -0.62 -4.96 120.51 112.69 1ykn n ALA 22 Ca 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 53.44 51.46 1ykn n ALA 22 Cb 0.03 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1ykn n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykn h LEU 23 N 5.14 0.03 0.70 0.00 4.07 -1.83 -0.19 115.31 123.23 1ykn h LEU 23 Ca 0.13 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1ykn h LEU 23 Cb 1.02 0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.81 1ykn h LEU 23 CO 0.18 0.05 -0.35 -0.08 -1.08 0.00 0.00 178.44 177.16 1ykn h GLU 24 N 0.16 -0.92 -0.43 1.13 4.81 -1.88 -1.36 114.58 116.09 1ykn h GLU 24 Ca 0.12 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1ykn h GLU 24 Cb 0.11 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1ykn h GLU 24 CO -0.15 -0.61 0.56 0.00 -0.73 0.00 0.00 179.01 178.08 1ykn h ALA 25 N -1.54 2.12 -0.01 2.92 0.00 -1.91 2.87 119.26 123.71 1ykn h ALA 25 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ykn h ALA 25 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ykn h ALA 25 CO 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1ykn n ALA 26 N -2.23 2.62 -3.63 0.00 0.00 -0.09 -4.92 120.51 112.26 1ykn n ALA 26 Ca 0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1ykn n ALA 26 Cb 0.73 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.93 1ykn n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykn n GLY 27 N 1.10 -0.35 3.27 0.00 0.00 0.96 -4.98 105.19 105.18 1ykn n GLY 27 Ca 0.21 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1ykn n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykn s ASN 28 N -4.18 2.05 0.39 1.61 0.01 -0.93 -5.04 114.94 108.85 1ykn s ASN 28 Ca 0.11 -0.95 -0.27 0.00 -0.71 0.00 0.00 52.86 51.04 1ykn s ASN 28 Cb -0.05 -0.06 -0.10 0.00 0.41 0.00 0.00 41.25 41.45 1ykn s ASN 28 CO 0.78 -0.23 1.44 -2.16 -1.51 0.00 0.00 177.10 175.41 1ykn s PRO 29 N -3.39 4.00 0.52 -0.60 0.04 -1.26 -4.14 135.00 130.18 1ykn s PRO 29 Ca 0.16 2.46 -0.03 0.00 0.04 0.00 0.00 61.00 63.62 1ykn s PRO 29 Cb -0.01 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 1ykn s PRO 29 CO 0.03 -0.57 0.79 0.95 0.04 0.00 0.00 177.00 178.24 1ykn s THR 30 N -1.16 3.92 0.50 1.26 -4.23 -1.26 -4.81 115.64 109.86 1ykn s THR 30 Ca 0.55 -0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1ykn s THR 30 Cb -0.44 -3.50 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1ykn s THR 30 CO 0.59 -0.44 0.69 -0.13 -0.54 0.00 0.00 174.62 174.78 1ykn s ARG 31 N -4.78 2.57 0.16 3.99 0.52 -1.26 -5.01 118.95 115.15 1ykn s ARG 31 Ca 0.51 -1.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.29 1ykn s ARG 31 Cb -0.10 -2.66 0.08 0.00 0.52 0.00 0.00 34.95 32.78 1ykn s ARG 31 CO 0.42 -0.57 1.74 -0.44 0.02 0.00 0.00 175.30 176.48 1ykn h ASP 32 N 0.36 0.10 -3.46 0.23 3.32 -2.07 -3.40 116.42 111.51 1ykn h ASP 32 Ca -0.37 0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.06 1ykn h ASP 32 Cb 1.28 0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.58 1ykn h ASP 32 CO 0.45 0.09 -0.72 -1.10 -1.72 0.00 0.00 179.24 176.23 1ykn s GLN 33 N -6.16 3.07 0.01 3.56 -0.21 -1.26 -5.12 119.66 113.55 1ykn s GLN 33 Ca -0.13 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 54.50 1ykn s GLN 33 Cb 0.13 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 1ykn s GLN 33 CO 0.71 -0.32 -0.25 -1.21 -2.12 0.00 0.00 175.29 172.10 1ykn s GLU 34 N 1.40 1.86 -0.41 2.91 0.41 -1.26 -5.10 118.70 118.52 1ykn s GLU 34 Ca 0.03 -0.95 -0.22 0.00 -0.41 0.00 0.00 54.97 53.42 1ykn s GLU 34 Cb -0.16 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.32 1ykn s GLU 34 CO -0.03 0.51 0.70 0.42 -0.49 0.00 0.00 175.26 176.36 1ykn s ILE 35 N -0.67 4.78 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.44 1ykn s ILE 35 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1ykn s ILE 35 Cb -0.09 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1ykn s ILE 35 CO 0.00 -0.52 0.00 1.87 0.00 0.00 0.00 174.94 176.29 1ykn n TRP 36 N 6.35 0.00 -0.66 3.97 -0.00 -1.26 -4.63 117.44 121.21 1ykn n TRP 36 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.59 1ykn n TRP 36 Cb 0.48 0.00 0.37 0.00 -0.00 0.00 0.00 31.31 32.16 1ykn n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykn n ASN 37 N 0.00 4.98 -4.04 5.87 6.94 -1.02 -2.85 115.26 125.15 1ykn n ASN 37 Ca 0.00 -2.54 -0.34 0.00 -0.02 0.00 0.00 54.58 51.68 1ykn n ASN 37 Cb 0.00 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 36.70 1ykn n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykn s ARG 38 N -2.04 2.32 0.16 -3.83 3.52 -1.26 -0.64 118.95 117.18 1ykn s ARG 38 Ca 0.52 -2.56 0.01 0.00 -0.13 0.00 0.00 55.73 53.58 1ykn s ARG 38 Cb 0.35 -3.56 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1ykn s ARG 38 CO 0.23 -1.14 1.38 -0.07 -0.81 0.00 0.00 175.30 174.89 1ykn h LEU 39 N 6.83 0.32 -8.46 -0.88 4.07 -1.34 -3.45 115.31 112.41 1ykn h LEU 39 Ca -0.04 -0.25 -0.67 0.00 0.08 0.00 0.00 57.88 57.00 1ykn h LEU 39 Cb 0.93 -0.10 -0.31 0.00 1.08 0.00 0.00 40.66 42.27 1ykn h LEU 39 CO 0.70 1.04 -0.84 0.00 -1.08 0.00 0.00 178.44 178.26 1ykn s ALA 40 N -3.28 2.34 0.64 1.53 0.00 -1.17 -0.95 121.76 120.87 1ykn s ALA 40 Ca -0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1ykn s ALA 40 Cb 0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1ykn s ALA 40 CO 0.83 0.29 1.04 0.15 0.00 0.00 0.00 175.76 178.07 1ykn s LYS 41 N 0.28 3.41 0.55 0.00 1.02 0.18 -4.79 119.74 120.38 1ykn s LYS 41 Ca -0.14 0.80 0.36 0.00 0.02 0.00 0.00 55.97 57.01 1ykn s LYS 41 Cb -0.17 -2.05 1.54 0.00 -0.52 0.00 0.00 37.83 36.62 1ykn s LYS 41 CO 0.07 -0.72 1.80 -1.35 -0.92 0.00 0.00 175.35 174.23 1ykn h PRO 42 N -0.43 0.00 -0.64 -1.68 0.11 -2.00 0.21 132.00 127.57 1ykn h PRO 42 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ykn h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ykn h PRO 42 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1ykn n ASP 43 N -4.14 4.81 -4.75 -2.05 5.75 -1.26 -4.94 116.55 109.97 1ykn n ASP 43 Ca 0.24 -2.57 -0.40 0.00 -0.01 0.00 0.00 54.79 52.05 1ykn n ASP 43 Cb 1.22 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 40.66 1ykn n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykn s ALA 44 N -2.10 3.38 0.48 2.12 0.00 0.75 -5.00 121.76 121.38 1ykn s ALA 44 Ca 0.49 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 1ykn s ALA 44 Cb 0.34 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 20.09 1ykn s ALA 44 CO 0.20 -0.06 1.24 -1.25 0.00 0.00 0.00 175.76 175.89 1ykn s PRO 45 N -1.20 3.61 0.00 0.00 0.04 -1.26 -4.89 135.00 131.29 1ykn s PRO 45 Ca 0.44 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1ykn s PRO 45 Cb -0.30 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1ykn s PRO 45 CO 0.38 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1ykn n GLY 46 N 0.56 1.68 3.58 0.56 0.00 -1.26 -4.70 105.19 105.61 1ykn n GLY 46 Ca 0.08 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1ykn n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 47 N -1.46 3.53 -0.02 1.61 2.12 -1.26 -4.99 118.70 118.22 1ykn s GLU 47 Ca 0.00 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.28 1ykn s GLU 47 Cb 0.00 -4.00 -0.06 0.00 0.26 0.00 0.00 34.13 30.33 1ykn s GLU 47 CO 0.00 -1.63 1.54 -1.01 -0.54 0.00 0.00 175.26 173.63 1ykn s HIS 48 N 4.81 2.41 0.14 5.30 3.76 -1.26 -2.43 115.29 128.02 1ykn s HIS 48 Ca 0.43 0.48 0.08 0.00 -0.15 0.00 0.00 55.06 55.89 1ykn s HIS 48 Cb -0.08 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 1ykn s HIS 48 CO 0.26 -3.25 -0.19 0.96 -0.85 0.00 0.00 174.74 171.67 1ykn s ILE 49 N 3.21 1.73 -0.14 0.60 -4.36 -0.48 -4.66 121.20 117.10 1ykn s ILE 49 Ca 0.69 -1.76 -0.04 0.00 -0.26 0.00 0.00 60.65 59.27 1ykn s ILE 49 Cb -0.33 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 1ykn s ILE 49 CO 0.28 -0.24 0.00 -0.22 0.24 0.00 0.00 174.94 175.01 1ykn s LEU 50 N -2.37 3.51 -0.05 0.37 2.96 -0.65 -2.04 118.68 120.40 1ykn s LEU 50 Ca 0.12 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1ykn s LEU 50 Cb -0.07 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1ykn s LEU 50 CO 0.05 0.23 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.41 1ykn s LEU 51 N 0.02 2.72 0.10 -0.68 1.43 -0.33 -1.36 118.68 120.57 1ykn s LEU 51 Ca 0.03 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1ykn s LEU 51 Cb -0.13 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ykn s LEU 51 CO 0.02 0.33 0.19 -1.48 0.23 0.00 0.00 176.35 175.64 1ykn s LEU 52 N -0.66 1.41 0.00 1.79 -0.00 -0.56 -1.04 118.68 119.63 1ykn s LEU 52 Ca 0.10 -0.69 0.00 0.00 -0.00 0.00 0.00 54.13 53.54 1ykn s LEU 52 Cb -0.11 1.02 0.00 0.00 -0.00 0.00 0.00 46.19 47.10 1ykn s LEU 52 CO 0.01 -0.74 0.00 0.61 -0.00 0.00 0.00 176.35 176.22 1ykn n GLY 53 N -0.07 0.42 3.55 -3.48 0.00 -0.97 -0.07 105.19 104.56 1ykn n GLY 53 Ca -0.14 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1ykn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ykn s GLN 54 N -2.00 1.82 -0.04 1.61 -0.21 -1.25 -0.80 119.66 118.79 1ykn s GLN 54 Ca 0.00 -2.01 0.03 0.00 0.02 0.00 0.00 55.36 53.40 1ykn s GLN 54 Cb 0.00 -1.36 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1ykn s GLN 54 CO 0.00 -0.08 -0.12 0.08 -2.12 0.00 0.00 175.29 173.06 1ykn s VAL 55 N -2.92 1.03 0.11 1.09 1.01 -1.26 -0.40 120.40 119.06 1ykn s VAL 55 Ca 0.35 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1ykn s VAL 55 Cb 0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1ykn s VAL 55 CO 0.17 0.32 -0.22 -0.31 0.00 0.00 0.00 175.10 175.05 1ykn s TYR 56 N 0.33 1.92 0.18 5.22 1.51 -0.49 -1.05 117.35 124.96 1ykn s TYR 56 Ca -0.07 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1ykn s TYR 56 Cb -0.12 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1ykn s TYR 56 CO 0.02 0.23 0.24 -0.40 -1.11 0.00 0.00 175.55 174.53 1ykn n ASP 57 N 1.07 0.50 0.00 2.29 5.68 -0.34 -1.61 116.55 124.14 1ykn n ASP 57 Ca -0.19 -1.38 0.05 0.00 -0.50 0.00 0.00 54.79 52.77 1ykn n ASP 57 Cb 0.53 -0.14 0.21 0.00 -1.14 0.00 0.00 41.12 40.59 1ykn n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykn n GLY 58 N 2.99 -0.82 0.42 6.12 0.00 -1.26 -1.41 105.19 111.24 1ykn n GLY 58 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1ykn n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykn n ASN 59 N -1.48 1.81 0.00 1.61 3.02 -1.26 -4.75 115.26 114.21 1ykn n ASN 59 Ca 0.03 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1ykn n ASN 59 Cb 0.11 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1ykn n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 60 N 1.26 0.89 3.80 7.41 0.00 -0.50 -5.06 105.19 113.00 1ykn n GLY 60 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ykn n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykn s HIS 61 N -2.02 3.32 0.33 1.61 3.76 -1.26 -4.78 115.29 116.26 1ykn s HIS 61 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 1ykn s HIS 61 Cb 0.00 -1.74 -0.11 0.00 1.11 0.00 0.00 32.58 31.84 1ykn s HIS 61 CO 0.00 0.56 1.50 -0.51 -0.85 0.00 0.00 174.74 175.44 1ykn s LEU 62 N -1.84 4.34 -0.60 0.89 1.43 -1.26 -1.20 118.68 120.44 1ykn s LEU 62 Ca 0.24 2.94 -0.19 0.00 -1.03 0.00 0.00 54.13 56.10 1ykn s LEU 62 Cb -0.12 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.56 1ykn s LEU 62 CO 0.16 -0.83 0.71 -0.69 0.23 0.00 0.00 176.35 175.92 1ykn s VAL 63 N -0.66 4.85 -2.07 -1.59 1.01 -0.21 -4.84 120.40 116.89 1ykn s VAL 63 Ca 0.56 -1.06 0.28 0.00 0.00 0.00 0.00 61.98 61.77 1ykn s VAL 63 Cb -0.46 -4.49 0.51 0.00 0.00 0.00 0.00 36.38 31.94 1ykn s VAL 63 CO 0.55 -1.12 1.79 0.54 0.00 0.00 0.00 175.10 176.86 1ykn n ARG 64 N 6.24 1.16 -0.92 2.72 1.74 -1.26 -4.30 116.66 122.04 1ykn n ARG 64 Ca -0.09 -0.56 0.02 0.00 -0.77 0.00 0.00 57.85 56.45 1ykn n ARG 64 Cb 0.42 -1.49 0.16 0.00 -1.02 0.00 0.00 32.46 30.54 1ykn n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykn n ASP 65 N -0.43 1.94 -4.93 0.55 5.68 -1.26 -3.19 116.55 114.91 1ykn n ASP 65 Ca 0.17 -3.58 -0.25 0.00 -0.50 0.00 0.00 54.79 50.63 1ykn n ASP 65 Cb 0.30 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.80 1ykn n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykn s SER 66 N -3.11 6.24 -0.01 -1.12 1.04 -1.23 -4.50 113.70 111.01 1ykn s SER 66 Ca 0.39 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.46 1ykn s SER 66 Cb 0.38 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 1ykn s SER 66 CO -0.07 -0.43 -0.14 0.12 0.98 0.00 0.00 173.24 173.70 1ykn s PHE 67 N -2.49 1.25 0.01 5.02 5.36 -0.20 -2.46 117.98 124.46 1ykn s PHE 67 Ca 0.43 -0.25 0.04 0.00 -0.96 0.00 0.00 56.93 56.19 1ykn s PHE 67 Cb -0.10 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.76 1ykn s PHE 67 CO 0.39 -0.04 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.48 1ykn s LEU 68 N -0.26 2.08 -0.08 6.12 1.02 -0.33 -1.69 118.68 125.54 1ykn s LEU 68 Ca 0.04 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 53.92 1ykn s LEU 68 Cb -0.06 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.52 1ykn s LEU 68 CO -0.00 0.11 -0.20 -1.61 0.02 0.00 0.00 176.35 174.67 1ykn s GLU 69 N -0.60 2.46 0.16 1.70 2.02 -0.59 -2.30 118.70 121.55 1ykn s GLU 69 Ca 0.04 -0.72 0.10 0.00 0.02 0.00 0.00 54.97 54.40 1ykn s GLU 69 Cb -0.06 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1ykn s GLU 69 CO 0.00 0.17 -0.18 0.14 0.02 0.00 0.00 175.26 175.41 1ykn s VAL 70 N 0.34 2.77 -0.05 2.63 -7.23 -0.11 -1.61 120.40 117.14 1ykn s VAL 70 Ca -0.14 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1ykn s VAL 70 Cb -0.16 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1ykn s VAL 70 CO 0.06 -0.03 0.09 0.86 -0.31 0.00 0.00 175.10 175.77 1ykn s TRP 71 N -1.46 -0.05 0.04 2.82 -0.11 -0.53 -2.24 118.94 117.41 1ykn s TRP 71 Ca 0.21 0.34 -0.11 0.00 1.22 0.00 0.00 56.10 57.75 1ykn s TRP 71 Cb -0.09 -0.25 0.01 0.00 -1.50 0.00 0.00 33.47 31.63 1ykn s TRP 71 CO 0.11 -0.16 0.23 1.14 -4.62 0.00 0.00 176.95 173.64 1ykn s GLN 72 N 1.56 0.72 0.75 5.86 -2.07 -0.24 -1.32 119.66 124.91 1ykn s GLN 72 Ca -0.04 -0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 1ykn s GLN 72 Cb -0.12 0.30 0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1ykn s GLN 72 CO -0.04 -0.21 1.08 0.00 -1.32 0.00 0.00 175.29 174.79 1ykn s ALA 73 N -2.51 2.39 1.00 2.60 0.00 -1.26 -4.54 121.76 119.44 1ykn s ALA 73 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1ykn s ALA 73 Cb -0.01 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ykn s ALA 73 CO -0.03 -1.57 0.00 -0.40 0.00 0.00 0.00 175.76 173.76 1ykn n ASP 74 N -3.37 -0.69 0.26 0.00 5.68 0.15 -4.39 116.55 114.19 1ykn n ASP 74 Ca 0.08 -0.57 0.14 0.00 -0.50 0.00 0.00 54.79 53.94 1ykn n ASP 74 Cb 0.54 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.15 1ykn n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykn h ALA 75 N -2.00 1.06 -0.12 2.12 0.00 -1.84 -1.04 119.26 117.43 1ykn h ALA 75 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ykn h ALA 75 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ykn h ALA 75 CO 0.00 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1ykn n ASN 76 N -3.30 1.19 0.00 0.00 3.02 -1.26 -3.63 115.26 111.28 1ykn n ASN 76 Ca -0.00 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1ykn n ASN 76 Cb 0.33 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1ykn n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 77 N 1.03 0.38 3.26 7.41 0.00 -0.52 -4.74 105.19 112.01 1ykn n GLY 77 Ca 0.15 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1ykn n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykn s GLU 78 N -3.77 2.24 -0.07 1.61 2.02 -1.25 -4.63 118.70 114.85 1ykn s GLU 78 Ca 0.00 -0.86 -0.22 0.00 0.02 0.00 0.00 54.97 53.91 1ykn s GLU 78 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1ykn s GLU 78 CO 0.00 0.42 0.64 0.71 0.02 0.00 0.00 175.26 177.06 1ykn s TYR 79 N -0.30 3.57 -0.44 1.61 1.51 -1.26 0.32 117.35 122.37 1ykn s TYR 79 Ca 0.01 1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 1ykn s TYR 79 Cb -0.12 -2.73 0.11 0.00 -0.11 0.00 0.00 41.96 39.11 1ykn s TYR 79 CO 0.02 0.13 0.27 -0.65 -1.11 0.00 0.00 175.55 174.21 1ykn s GLN 80 N 0.67 2.21 0.27 -0.62 -1.52 -1.26 -4.95 119.66 114.46 1ykn s GLN 80 Ca 0.34 -1.80 0.24 0.00 -1.95 0.00 0.00 55.36 52.20 1ykn s GLN 80 Cb -0.17 -3.74 0.46 0.00 -0.22 0.00 0.00 33.01 29.34 1ykn s GLN 80 CO 0.16 -1.13 1.55 0.38 -0.25 0.00 0.00 175.29 176.00 1ykn h ASP 81 N 8.23 0.00 -0.91 5.90 2.03 -1.98 -3.31 116.42 126.38 1ykn h ASP 81 Ca -0.17 -0.04 -0.51 0.00 -0.73 0.00 0.00 57.03 55.59 1ykn h ASP 81 Cb 1.06 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 1ykn h ASP 81 CO 0.77 0.02 1.39 0.00 -1.03 0.00 0.00 179.24 180.39 1ykn s ALA 82 N -3.18 2.46 0.33 4.15 0.00 -1.26 -4.95 121.76 119.32 1ykn s ALA 82 Ca 0.07 -2.17 -0.28 0.00 0.00 0.00 0.00 51.96 49.57 1ykn s ALA 82 Cb 0.10 -4.57 -0.10 0.00 0.00 0.00 0.00 23.12 18.55 1ykn s ALA 82 CO 0.67 -4.02 1.26 -0.47 0.00 0.00 0.00 175.76 173.19 1ykn s TYR 83 N 6.72 3.13 -0.29 0.00 5.04 -1.26 -5.00 117.35 125.69 1ykn s TYR 83 Ca 0.56 1.48 -0.16 0.00 -2.44 0.00 0.00 57.07 56.51 1ykn s TYR 83 Cb -0.01 -3.58 0.14 0.00 0.35 0.00 0.00 41.96 38.85 1ykn s TYR 83 CO -0.02 -1.59 0.93 1.21 -1.34 0.00 0.00 175.55 174.74 1ykn s ASN 84 N -0.64 -0.57 0.09 4.32 3.84 -1.26 -5.06 114.94 115.66 1ykn s ASN 84 Ca 0.49 0.92 0.17 0.00 0.21 0.00 0.00 52.86 54.65 1ykn s ASN 84 Cb -0.37 1.24 0.71 0.00 -0.55 0.00 0.00 41.25 42.28 1ykn s ASN 84 CO 0.49 -0.14 1.52 0.18 -2.79 0.00 0.00 177.10 176.36 1ykn n LEU 85 N 3.81 0.23 0.15 3.21 4.77 -1.26 -2.35 117.00 125.57 1ykn n LEU 85 Ca -0.19 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1ykn n LEU 85 Cb 0.58 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1ykn n LEU 85 CO 0.02 -0.39 0.52 -0.33 -1.33 0.00 0.00 177.39 175.87 1ykn h GLU 86 N 0.00 0.00 -7.07 3.23 5.08 -2.00 -3.47 114.58 110.36 1ykn h GLU 86 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1ykn h GLU 86 Cb 0.26 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.64 1ykn h GLU 86 CO 0.00 0.38 0.54 -0.80 -1.00 0.00 0.00 179.01 178.13 1ykn s ASN 87 N -6.37 5.25 0.27 1.42 0.01 -0.99 -4.92 114.94 109.62 1ykn s ASN 87 Ca 0.04 2.58 0.14 0.00 -0.71 0.00 0.00 52.86 54.91 1ykn s ASN 87 Cb 0.07 -2.62 0.22 0.00 0.41 0.00 0.00 41.25 39.33 1ykn s ASN 87 CO 0.73 -1.56 1.51 0.00 -1.51 0.00 0.00 177.10 176.27 1ykn h ALA 88 N 1.23 0.73 -3.39 0.60 0.00 -1.90 -3.44 119.26 113.09 1ykn h ALA 88 Ca -0.51 -0.53 -0.41 0.00 0.00 0.00 0.00 54.91 53.46 1ykn h ALA 88 Cb 1.30 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 1ykn h ALA 88 CO 0.56 0.73 -0.77 0.12 0.00 0.00 0.00 179.25 179.89 1ykn s PHE 89 N -3.16 0.70 -0.00 0.00 5.36 -1.26 0.47 117.98 120.09 1ykn s PHE 89 Ca 0.02 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.83 1ykn s PHE 89 Cb 0.10 -0.69 -0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1ykn s PHE 89 CO 0.74 -0.23 -0.08 -0.80 -1.46 0.00 0.00 175.22 173.39 1ykn s ASN 90 N 1.26 4.52 0.11 6.13 0.01 -0.12 -4.97 114.94 121.88 1ykn s ASN 90 Ca -0.06 -0.17 0.26 0.00 -0.71 0.00 0.00 52.86 52.19 1ykn s ASN 90 Cb -0.14 -1.03 0.79 0.00 0.41 0.00 0.00 41.25 41.29 1ykn s ASN 90 CO -0.02 0.29 1.68 -1.20 -1.51 0.00 0.00 177.10 176.34 1ykn n SER 91 N 1.64 0.53 -4.40 -1.22 7.64 -1.25 -4.75 113.62 111.81 1ykn n SER 91 Ca -0.16 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.77 1ykn n SER 91 Cb 0.52 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 1ykn n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykn s PHE 92 N -3.07 2.49 0.36 1.43 5.36 -1.26 -1.08 117.98 122.21 1ykn s PHE 92 Ca 0.11 -0.31 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 1ykn s PHE 92 Cb 0.15 -1.52 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 1ykn s PHE 92 CO 0.62 0.11 0.59 0.41 -1.46 0.00 0.00 175.22 175.48 1ykn n GLY 93 N 2.14 1.74 3.04 13.12 0.00 -0.95 -4.82 105.19 119.45 1ykn n GLY 93 Ca -0.16 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1ykn n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ykn s ARG 94 N -2.57 0.41 0.34 1.61 1.81 -1.13 -0.93 118.95 118.49 1ykn s ARG 94 Ca 0.25 -0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 53.53 1ykn s ARG 94 Cb -0.02 0.16 0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1ykn s ARG 94 CO 0.18 -0.09 0.69 -0.08 -0.68 0.00 0.00 175.30 175.32 1ykn s THR 95 N -1.66 0.00 0.05 0.02 -1.32 -0.97 -2.43 115.64 109.32 1ykn s THR 95 Ca -0.13 -1.14 -0.27 0.00 -1.21 0.00 0.00 61.69 58.93 1ykn s THR 95 Cb -0.08 -2.57 0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1ykn s THR 95 CO -0.01 0.00 0.66 0.00 -2.21 0.00 0.00 174.62 173.06 1ykn s ALA 96 N -2.98 -1.70 0.08 11.08 0.00 -1.26 -1.18 121.76 125.81 1ykn s ALA 96 Ca 0.18 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1ykn s ALA 96 Cb -0.04 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1ykn s ALA 96 CO 0.12 -0.56 0.13 0.95 0.00 0.00 0.00 175.76 176.39 1ykn s THR 97 N -2.43 4.81 0.31 0.00 -4.23 -1.03 -4.38 115.64 108.70 1ykn s THR 97 Ca -0.05 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1ykn s THR 97 Cb -0.01 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1ykn s THR 97 CO -0.01 0.11 0.26 0.42 -0.54 0.00 0.00 174.62 174.85 1ykn s THR 98 N -1.46 0.00 0.12 3.99 -4.23 0.13 -3.53 115.64 110.66 1ykn s THR 98 Ca 0.31 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.64 1ykn s THR 98 Cb -0.12 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 1ykn s THR 98 CO 0.24 0.00 1.74 -0.26 -0.54 0.00 0.00 174.62 175.80 1ykn h PHE 99 N 2.23 0.06 -0.55 3.99 0.04 -1.95 -3.08 116.94 117.68 1ykn h PHE 99 Ca -0.27 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.44 1ykn h PHE 99 Cb 1.24 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 1ykn h PHE 99 CO 1.45 0.02 0.08 -0.44 -0.60 0.00 0.00 178.31 178.82 1ykn h ASP 100 N 0.11 0.88 -4.34 2.17 3.32 -1.98 -3.37 116.42 113.21 1ykn h ASP 100 Ca 0.07 -0.26 -0.64 0.00 0.02 0.00 0.00 57.03 56.22 1ykn h ASP 100 Cb 0.06 -0.23 -0.41 0.00 0.22 0.00 0.00 39.33 38.97 1ykn h ASP 100 CO -0.09 0.92 -0.63 0.00 -1.72 0.00 0.00 179.24 177.71 1ykn s ALA 101 N -5.18 3.26 -0.66 3.45 0.00 -1.17 -4.97 121.76 116.49 1ykn s ALA 101 Ca -0.12 -3.25 0.16 0.00 0.00 0.00 0.00 51.96 48.75 1ykn s ALA 101 Cb 0.12 -2.15 0.73 0.00 0.00 0.00 0.00 23.12 21.82 1ykn s ALA 101 CO 0.82 -2.02 1.49 0.41 0.00 0.00 0.00 175.76 176.46 1ykn n GLY 102 N 3.13 -0.96 3.51 0.00 0.00 -1.19 0.18 105.19 109.87 1ykn n GLY 102 Ca 0.05 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ykn n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 103 N -3.22 2.35 0.29 1.61 2.12 -1.26 -4.54 118.70 116.04 1ykn s GLU 103 Ca 0.03 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.61 1ykn s GLU 103 Cb 0.07 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 1ykn s GLU 103 CO 0.24 0.58 0.23 1.67 -0.54 0.00 0.00 175.26 177.44 1ykn s TRP 104 N -0.90 3.00 0.03 5.30 1.48 0.02 -4.69 118.94 123.18 1ykn s TRP 104 Ca 0.15 -0.20 -0.06 0.00 -1.06 0.00 0.00 56.10 54.93 1ykn s TRP 104 Cb -0.11 -1.57 -0.01 0.00 -1.16 0.00 0.00 33.47 30.63 1ykn s TRP 104 CO 0.05 0.38 0.11 0.95 -4.06 0.00 0.00 176.95 174.37 1ykn s THR 105 N -2.22 0.12 -0.04 0.66 -4.23 -1.26 -2.28 115.64 106.40 1ykn s THR 105 Ca 0.36 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1ykn s THR 105 Cb -0.07 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 73.01 1ykn s THR 105 CO 0.25 -0.55 0.09 -0.22 -0.54 0.00 0.00 174.62 173.65 1ykn s LEU 106 N -1.95 1.35 -0.19 4.79 2.96 -0.20 -4.80 118.68 120.63 1ykn s LEU 106 Ca -0.07 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1ykn s LEU 106 Cb -0.03 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.87 1ykn s LEU 106 CO -0.03 -0.07 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.89 1ykn s HIS 107 N 0.50 2.99 0.00 5.38 3.76 0.18 -1.19 115.29 126.92 1ykn s HIS 107 Ca -0.04 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1ykn s HIS 107 Cb -0.05 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1ykn s HIS 107 CO -0.02 -0.27 0.00 -2.37 -0.85 0.00 0.00 174.74 171.23 1ykn n THR 108 N 4.18 0.00 -4.46 1.30 5.66 -0.87 -1.02 114.28 119.07 1ykn n THR 108 Ca -0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.60 1ykn n THR 108 Cb 0.52 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 1ykn n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykn s VAL 109 N -2.21 1.39 0.10 1.08 -7.23 -1.26 -1.38 120.40 110.89 1ykn s VAL 109 Ca 0.00 -1.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 1ykn s VAL 109 Cb 0.00 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.61 1ykn s VAL 109 CO 0.00 0.08 1.80 -0.75 -0.31 0.00 0.00 175.10 175.92 1ykn s LYS 110 N -1.23 4.15 0.70 4.82 2.20 -1.02 -4.90 119.74 124.46 1ykn s LYS 110 Ca 0.04 2.53 -0.14 0.00 -0.36 0.00 0.00 55.97 58.05 1ykn s LYS 110 Cb -0.08 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1ykn s LYS 110 CO 0.02 -0.83 1.11 -1.25 -0.36 0.00 0.00 175.35 174.04 1ykn s PRO 111 N 2.89 2.57 0.81 4.03 0.04 -1.26 -4.35 135.00 139.73 1ykn s PRO 111 Ca 0.80 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 1ykn s PRO 111 Cb -0.44 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.31 1ykn s PRO 111 CO 0.36 -1.43 1.12 0.20 0.04 0.00 0.00 177.00 177.29 1ykn s GLY 112 N -2.80 1.75 0.03 0.56 0.00 -0.51 -4.75 107.32 101.60 1ykn s GLY 112 Ca 0.66 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 1ykn s GLY 112 CO 0.46 -0.74 1.04 0.14 0.00 0.00 0.00 173.10 174.00 1ykn s VAL 113 N -3.44 4.59 0.08 1.40 1.01 -1.26 -4.36 120.40 118.42 1ykn s VAL 113 Ca 0.68 1.89 0.08 0.00 0.00 0.00 0.00 61.98 64.63 1ykn s VAL 113 Cb -0.06 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1ykn s VAL 113 CO 0.48 0.16 -0.19 0.68 0.00 0.00 0.00 175.10 176.22 1ykn s VAL 114 N 0.91 2.72 0.51 2.92 -7.23 -1.26 -4.47 120.40 114.50 1ykn s VAL 114 Ca 0.53 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 1ykn s VAL 114 Cb -0.24 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1ykn s VAL 114 CO 0.29 0.22 0.81 0.20 -0.31 0.00 0.00 175.10 176.31 1ykn s ASN 115 N -1.77 6.10 0.81 4.85 0.01 -1.26 -1.45 114.94 122.22 1ykn s ASN 115 Ca 0.16 0.87 -0.06 0.00 -0.71 0.00 0.00 52.86 53.12 1ykn s ASN 115 Cb -0.10 -2.11 0.15 0.00 0.41 0.00 0.00 41.25 39.59 1ykn s ASN 115 CO 0.07 -0.70 0.94 -0.46 -1.51 0.00 0.00 177.10 175.45 1ykn n ASN 116 N -2.34 0.69 0.27 -1.22 6.94 -0.53 -4.88 115.26 114.19 1ykn n ASN 116 Ca 0.02 -1.71 0.15 0.00 -0.02 0.00 0.00 54.58 53.01 1ykn n ASN 116 Cb 0.56 -0.66 0.71 0.00 -2.36 0.00 0.00 39.78 38.02 1ykn n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykn h ALA 117 N -1.10 1.08 -0.41 -2.53 0.00 -1.99 -2.39 119.26 111.91 1ykn h ALA 117 Ca -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ykn h ALA 117 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ykn h ALA 117 CO 0.28 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1ykn n ALA 118 N -2.18 2.44 -1.02 0.00 0.00 -1.26 -4.94 120.51 113.55 1ykn n ALA 118 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 1ykn n ALA 118 Cb 0.29 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1ykn n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykn n GLY 119 N 1.24 0.45 3.64 0.00 0.00 -0.90 -5.04 105.19 104.57 1ykn n GLY 119 Ca 0.16 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1ykn n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykn s VAL 120 N -2.01 5.28 0.32 1.61 1.01 -1.26 -4.83 120.40 120.52 1ykn s VAL 120 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1ykn s VAL 120 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1ykn s VAL 120 CO 0.00 0.27 1.50 -2.16 0.00 0.00 0.00 175.10 174.71 1ykn s PRO 121 N 1.45 4.17 0.15 2.72 0.04 -1.26 -1.45 135.00 140.81 1ykn s PRO 121 Ca 0.11 2.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 1ykn s PRO 121 Cb -0.15 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1ykn s PRO 121 CO 0.08 -0.51 0.36 -1.64 0.04 0.00 0.00 177.00 175.33 1ykn s MET 122 N -1.23 3.57 0.75 4.56 -1.94 -0.53 -4.32 119.30 120.17 1ykn s MET 122 Ca 0.57 -0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.25 1ykn s MET 122 Cb -0.45 -2.86 0.04 0.00 2.01 0.00 0.00 34.83 33.56 1ykn s MET 122 CO 0.53 0.46 1.08 0.00 -0.01 0.00 0.00 175.02 177.08 1ykn s ALA 123 N -1.71 2.40 0.00 3.03 0.00 -1.26 -4.21 121.76 120.01 1ykn s ALA 123 Ca 0.40 0.15 -0.35 0.00 0.00 0.00 0.00 51.96 52.16 1ykn s ALA 123 Cb -0.12 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1ykn s ALA 123 CO 0.26 -1.57 1.66 -2.30 0.00 0.00 0.00 175.76 173.82 1ykn n PRO 124 N -3.38 1.86 -3.91 0.00 -0.02 -1.26 -4.86 135.00 123.43 1ykn n PRO 124 Ca 0.08 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1ykn n PRO 124 Cb 0.53 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1ykn n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykn s HIS 125 N 2.27 0.23 -0.13 6.00 -3.43 -1.26 -4.44 115.29 114.54 1ykn s HIS 125 Ca 0.87 -0.69 -0.01 0.00 -0.80 0.00 0.00 55.06 54.43 1ykn s HIS 125 Cb -0.78 -0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 30.21 1ykn s HIS 125 CO 0.48 -0.51 -0.09 0.42 -2.00 0.00 0.00 174.74 173.04 1ykn s ILE 126 N -3.86 3.44 -0.07 -5.38 1.01 -0.48 -4.61 121.20 111.26 1ykn s ILE 126 Ca 0.05 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 1ykn s ILE 126 Cb 0.05 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1ykn s ILE 126 CO -0.11 0.52 0.62 0.20 0.00 0.00 0.00 174.94 176.17 1ykn s ASN 127 N 0.17 6.90 0.01 3.58 0.01 -0.44 -1.25 114.94 123.92 1ykn s ASN 127 Ca -0.05 1.08 0.07 0.00 -0.71 0.00 0.00 52.86 53.25 1ykn s ASN 127 Cb -0.14 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ykn s ASN 127 CO 0.04 -0.04 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.76 1ykn s ILE 128 N 0.53 1.63 -0.11 0.60 1.01 -0.23 -1.45 121.20 123.18 1ykn s ILE 128 Ca 0.33 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1ykn s ILE 128 Cb -0.17 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1ykn s ILE 128 CO 0.16 0.35 -0.14 -0.44 0.00 0.00 0.00 174.94 174.87 1ykn s SER 129 N -0.77 2.40 -0.14 3.58 0.01 -0.63 -0.47 113.70 117.69 1ykn s SER 129 Ca 0.08 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1ykn s SER 129 Cb -0.08 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 1ykn s SER 129 CO 0.00 -0.01 -0.04 -0.22 0.41 0.00 0.00 173.24 173.38 1ykn s LEU 130 N 1.14 3.28 0.09 2.44 2.96 0.12 -1.54 118.68 127.17 1ykn s LEU 130 Ca -0.04 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1ykn s LEU 130 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1ykn s LEU 130 CO -0.04 0.22 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.69 1ykn s PHE 131 N 0.06 1.45 0.00 5.38 0.40 -0.68 -1.63 117.98 122.95 1ykn s PHE 131 Ca 0.00 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1ykn s PHE 131 Cb -0.13 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1ykn s PHE 131 CO 0.03 0.12 0.00 0.00 0.70 0.00 0.00 175.22 176.07 1ykn n ALA 132 N 1.10 0.00 -1.70 5.36 0.00 -1.26 -1.04 120.51 122.97 1ykn n ALA 132 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1ykn n ALA 132 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1ykn n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ykn n ARG 133 N -0.21 1.90 0.00 0.00 1.85 -1.24 -1.68 116.66 117.28 1ykn n ARG 133 Ca 0.00 0.68 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 1ykn n ARG 133 Cb 0.00 -2.39 0.00 0.00 -1.05 0.00 0.00 32.46 29.02 1ykn n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ykn n GLY 134 N 0.82 1.99 3.23 2.89 0.00 -1.26 -4.97 105.19 107.89 1ykn n GLY 134 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1ykn n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykn s ILE 135 N -2.39 3.67 0.23 -0.61 1.01 -0.68 -4.98 121.20 117.46 1ykn s ILE 135 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.32 1ykn s ILE 135 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 1ykn s ILE 135 CO 0.00 -0.33 1.52 0.78 0.00 0.00 0.00 174.94 176.91 1ykn h ASN 136 N 8.20 0.13 -3.44 3.58 2.35 -1.91 -3.34 115.58 121.15 1ykn h ASN 136 Ca -0.21 -0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.17 1ykn h ASN 136 Cb 1.07 -0.04 -0.33 0.00 0.05 0.00 0.00 38.32 39.07 1ykn h ASN 136 CO 0.64 0.78 -0.67 -0.51 -1.65 0.00 0.00 177.43 176.03 1ykn s ILE 137 N -3.50 -0.07 1.05 2.81 2.07 -1.26 -3.28 121.20 119.02 1ykn s ILE 137 Ca -0.02 0.22 -0.16 0.00 -1.41 0.00 0.00 60.65 59.28 1ykn s ILE 137 Cb 0.12 -0.16 0.07 0.00 0.13 0.00 0.00 42.46 42.61 1ykn s ILE 137 CO 0.79 0.09 0.12 0.00 -1.91 0.00 0.00 174.94 174.04 1ykn n HIS 138 N 4.33 -1.52 -5.02 3.50 1.44 -1.26 -5.00 115.22 111.69 1ykn n HIS 138 Ca -0.24 0.18 -0.32 0.00 -2.01 0.00 0.00 57.72 55.32 1ykn n HIS 138 Cb 0.51 -1.65 -0.14 0.00 0.12 0.00 0.00 29.99 28.83 1ykn n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykn s LEU 139 N -0.85 2.51 -0.08 2.39 1.43 -0.65 -4.91 118.68 118.52 1ykn s LEU 139 Ca 0.56 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1ykn s LEU 139 Cb -0.15 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1ykn s LEU 139 CO 0.67 0.33 -0.09 -1.00 0.23 0.00 0.00 176.35 176.49 1ykn s HIS 140 N -0.64 2.89 0.25 0.29 3.76 -1.26 -0.70 115.29 119.89 1ykn s HIS 140 Ca 0.10 -0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 1ykn s HIS 140 Cb -0.11 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 1ykn s HIS 140 CO 0.00 0.23 0.46 -0.08 -0.85 0.00 0.00 174.74 174.50 1ykn s THR 141 N -0.60 0.00 0.02 1.30 -1.32 0.38 -0.42 115.64 115.00 1ykn s THR 141 Ca 0.09 -1.46 0.05 0.00 -1.21 0.00 0.00 61.69 59.16 1ykn s THR 141 Cb -0.12 -2.28 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1ykn s THR 141 CO 0.02 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.13 1ykn s ARG 142 N -3.92 1.19 -0.22 7.08 0.52 -1.26 -1.07 118.95 121.28 1ykn s ARG 142 Ca 0.24 -0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1ykn s ARG 142 Cb -0.00 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 1ykn s ARG 142 CO 0.10 0.32 0.08 -1.17 0.02 0.00 0.00 175.30 174.65 1ykn s LEU 143 N -0.78 3.66 0.45 2.53 0.20 -0.38 -4.73 118.68 119.63 1ykn s LEU 143 Ca 0.05 -0.06 0.05 0.00 0.69 0.00 0.00 54.13 54.86 1ykn s LEU 143 Cb -0.07 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1ykn s LEU 143 CO 0.00 0.06 0.06 -0.31 -0.29 0.00 0.00 176.35 175.87 1ykn s TYR 144 N 1.06 2.30 -0.06 5.38 1.51 0.06 -1.38 117.35 126.22 1ykn s TYR 144 Ca 0.04 -0.75 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1ykn s TYR 144 Cb -0.14 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1ykn s TYR 144 CO 0.03 0.30 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.52 1ykn s PHE 145 N -2.74 1.91 -0.04 2.71 0.40 -1.26 0.05 117.98 119.00 1ykn s PHE 145 Ca 0.27 -0.61 0.30 0.00 -0.60 0.00 0.00 56.93 56.30 1ykn s PHE 145 Cb 0.06 -1.29 1.41 0.00 0.51 0.00 0.00 43.02 43.71 1ykn s PHE 145 CO 0.14 -0.22 1.90 0.38 0.70 0.00 0.00 175.22 178.13 1ykn h ASP 146 N 6.36 0.00 -0.31 1.36 2.03 -1.60 -1.43 116.42 122.84 1ykn h ASP 146 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1ykn h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1ykn h ASP 146 CO 0.47 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.78 1ykn n ASP 147 N -2.63 1.73 -1.90 4.15 5.68 -1.26 -3.72 116.55 118.60 1ykn n ASP 147 Ca -0.00 -2.02 -0.22 0.00 -0.50 0.00 0.00 54.79 52.05 1ykn n ASP 147 Cb 0.17 -0.23 0.05 0.00 -1.14 0.00 0.00 41.12 39.98 1ykn n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykn n GLU 148 N 0.40 3.22 -0.15 0.11 -0.58 -0.54 -4.88 120.64 118.22 1ykn n GLU 148 Ca 0.10 -3.92 -0.02 0.00 -0.42 0.00 0.00 57.16 52.90 1ykn n GLU 148 Cb 0.28 -2.20 0.06 0.00 -0.57 0.00 0.00 31.44 29.01 1ykn n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykn h ALA 149 N 1.99 0.53 0.00 0.62 0.00 -1.73 0.11 119.26 120.78 1ykn h ALA 149 Ca 0.37 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1ykn h ALA 149 Cb 1.40 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1ykn h ALA 149 CO 0.80 -0.32 -0.26 1.96 0.00 0.00 0.00 179.25 181.42 1ykn h GLN 150 N 0.21 0.00 0.16 0.00 4.20 -1.94 -1.57 115.11 116.18 1ykn h GLN 150 Ca 0.25 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.70 1ykn h GLN 150 Cb 0.33 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.13 1ykn h GLN 150 CO -0.33 0.26 -1.20 0.00 -0.67 0.00 0.00 178.83 176.88 1ykn h ALA 151 N 1.74 -0.00 -0.96 3.87 0.00 -1.72 -3.17 119.26 119.02 1ykn h ALA 151 Ca -0.00 -0.88 0.21 0.00 0.00 0.00 0.00 54.91 54.23 1ykn h ALA 151 Cb 0.53 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1ykn h ALA 151 CO 0.03 0.63 0.62 -0.91 0.00 0.00 0.00 179.25 179.62 1ykn h ASN 152 N -0.22 0.51 0.03 0.00 2.35 -0.55 -2.13 115.58 115.58 1ykn h ASN 152 Ca -0.23 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1ykn h ASN 152 Cb 1.82 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.15 1ykn h ASN 152 CO 0.15 0.18 -0.06 0.00 -1.65 0.00 0.00 177.43 176.05 1ykn h ALA 153 N 1.62 1.77 -0.02 -0.83 0.00 -1.26 -2.98 119.26 117.55 1ykn h ALA 153 Ca 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ykn h ALA 153 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ykn h ALA 153 CO -0.25 0.18 -0.29 1.63 0.00 0.00 0.00 179.25 180.52 1ykn n LYS 154 N -4.40 1.57 -1.81 0.00 5.02 -0.84 -4.90 118.16 112.80 1ykn n LYS 154 Ca -0.02 -1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 1ykn n LYS 154 Cb 0.18 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1ykn n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykn h PRO 156 N 7.01 0.00 0.00 0.00 0.13 -1.90 -2.00 132.00 135.24 1ykn h PRO 156 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1ykn h PRO 156 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ykn h PRO 156 CO 0.94 0.00 -0.24 0.28 -0.23 0.00 0.00 178.00 178.75 1ykn h VAL 157 N 0.00 1.14 -0.18 1.56 2.07 -1.94 -3.26 116.25 115.64 1ykn h VAL 157 Ca 0.00 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.61 1ykn h VAL 157 Cb 0.43 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1ykn h VAL 157 CO 0.00 0.39 0.12 0.25 0.02 0.00 0.00 177.57 178.35 1ykn h LEU 158 N -1.00 0.10 0.00 2.57 5.85 -1.89 -1.93 115.31 119.02 1ykn h LEU 158 Ca -0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ykn h LEU 158 Cb 0.80 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1ykn h LEU 158 CO -0.03 0.07 0.00 0.59 -0.34 0.00 0.00 178.44 178.73 1ykn n ASN 159 N -4.50 0.00 0.15 1.25 3.02 -0.76 -2.39 115.26 112.03 1ykn n ASN 159 Ca 0.01 0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.74 1ykn n ASN 159 Cb 0.17 -0.29 0.13 0.00 -0.61 0.00 0.00 39.78 39.19 1ykn n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykn h LEU 160 N 0.00 0.00 -8.72 3.41 3.38 -1.39 -3.43 115.31 108.57 1ykn h LEU 160 Ca 0.00 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.39 1ykn h LEU 160 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1ykn h LEU 160 CO 0.00 0.01 1.01 -0.63 0.09 0.00 0.00 178.44 178.92 1ykn s ILE 161 N -3.25 4.01 0.27 1.22 1.01 -1.01 -4.93 121.20 118.53 1ykn s ILE 161 Ca 0.05 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1ykn s ILE 161 Cb 0.08 -4.43 0.25 0.00 0.01 0.00 0.00 42.46 38.37 1ykn s ILE 161 CO 0.71 -0.95 1.75 -0.33 0.00 0.00 0.00 174.94 176.12 1ykn h GLU 162 N 10.11 0.58 -4.81 2.79 5.08 -1.88 -3.42 114.58 123.02 1ykn h GLU 162 Ca -0.25 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.40 1ykn h GLU 162 Cb 1.08 -0.13 -0.22 0.00 0.50 0.00 0.00 28.75 29.99 1ykn h GLU 162 CO 1.12 0.38 -0.56 -0.65 -1.00 0.00 0.00 179.01 178.31 1ykn s GLN 163 N -5.95 3.46 0.34 2.33 -1.52 -1.26 -4.99 119.66 112.06 1ykn s GLN 163 Ca -0.12 -0.64 0.13 0.00 -1.95 0.00 0.00 55.36 52.78 1ykn s GLN 163 Cb 0.22 -3.55 1.07 0.00 -0.22 0.00 0.00 33.01 30.53 1ykn s GLN 163 CO 0.78 -0.36 1.63 -1.35 -0.25 0.00 0.00 175.29 175.74 1ykn h PRO 164 N 8.34 0.19 -0.08 2.91 0.10 -1.98 -1.80 132.00 139.68 1ykn h PRO 164 Ca -0.33 -0.01 0.02 0.00 0.10 0.00 0.00 66.00 65.78 1ykn h PRO 164 Cb 1.16 -0.04 -0.00 0.00 0.10 0.00 0.00 31.00 32.21 1ykn h PRO 164 CO 0.60 0.12 0.08 1.96 0.10 0.00 0.00 178.00 180.86 1ykn h GLN 165 N 0.19 0.00 0.07 1.05 7.50 -1.97 -1.69 115.11 120.26 1ykn h GLN 165 Ca 0.72 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.62 1ykn h GLN 165 Cb 1.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.21 1ykn h GLN 165 CO -0.68 0.00 -1.19 0.00 -1.50 0.00 0.00 178.83 175.46 1ykn h ARG 166 N 0.00 0.16 -0.48 1.46 3.08 -1.73 -3.15 114.38 113.71 1ykn h ARG 166 Ca 0.04 -0.27 0.10 0.00 0.07 0.00 0.00 59.98 59.92 1ykn h ARG 166 Cb 0.19 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1ykn h ARG 166 CO -0.00 1.10 0.33 0.00 -1.07 0.00 0.00 179.97 180.33 1ykn h ARG 167 N 0.04 0.20 0.00 0.04 3.08 -1.29 -1.65 114.38 114.81 1ykn h ARG 167 Ca -0.10 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1ykn h ARG 167 Cb 1.90 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 1ykn h ARG 167 CO 0.17 0.13 -0.34 0.93 -1.07 0.00 0.00 179.97 179.79 1ykn h GLU 168 N 0.20 0.00 0.00 0.04 5.08 -1.54 -0.91 114.58 117.46 1ykn h GLU 168 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ykn h GLU 168 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ykn h GLU 168 CO -0.04 0.34 0.04 1.79 -1.00 0.00 0.00 179.01 180.14 1ykn h THR 169 N 0.00 0.00 -0.28 1.13 1.35 -1.44 -2.18 112.91 111.49 1ykn h THR 169 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ykn h THR 169 Cb 0.62 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1ykn h THR 169 CO 0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1ykn n LEU 170 N -2.42 3.01 -4.48 3.87 4.77 -0.35 -4.81 117.00 116.59 1ykn n LEU 170 Ca -0.02 -1.24 -0.41 0.00 -0.03 0.00 0.00 56.01 54.32 1ykn n LEU 170 Cb 0.08 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1ykn n LEU 170 CO 0.11 0.62 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.03 1ykn s ILE 171 N -1.64 5.08 0.18 -0.08 1.01 -0.82 -0.76 121.20 124.17 1ykn s ILE 171 Ca 0.36 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 1ykn s ILE 171 Cb 0.21 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.93 1ykn s ILE 171 CO 0.30 -0.08 0.99 0.00 0.00 0.00 0.00 174.94 176.16 1ykn s ALA 172 N 1.68 3.32 -0.38 9.38 0.00 0.11 -4.84 121.76 131.02 1ykn s ALA 172 Ca 0.05 0.66 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 1ykn s ALA 172 Cb -0.18 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1ykn s ALA 172 CO 0.09 0.02 0.93 0.15 0.00 0.00 0.00 175.76 176.95 1ykn s LYS 173 N -0.62 3.81 0.30 0.00 1.02 -0.69 -1.52 119.74 122.03 1ykn s LYS 173 Ca 0.45 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.68 1ykn s LYS 173 Cb -0.26 -3.82 -0.12 0.00 -0.52 0.00 0.00 37.83 33.11 1ykn s LYS 173 CO 0.32 -0.98 1.53 -2.13 -0.92 0.00 0.00 175.35 173.17 1ykn n ARG 174 N 6.84 2.54 -3.02 1.68 0.63 -1.26 -1.18 116.66 122.88 1ykn n ARG 174 Ca 0.07 0.90 -0.07 0.00 -0.92 0.00 0.00 57.85 57.83 1ykn n ARG 174 Cb 0.48 -2.64 0.01 0.00 0.45 0.00 0.00 32.46 30.76 1ykn n ARG 174 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ykn s GLU 176 N -2.20 1.58 -0.22 0.00 2.02 -1.26 -1.57 118.70 117.04 1ykn s GLU 176 Ca 0.14 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1ykn s GLU 176 Cb -0.03 -1.35 0.05 0.00 0.10 0.00 0.00 34.13 32.90 1ykn s GLU 176 CO 0.10 -0.02 -0.09 0.08 0.02 0.00 0.00 175.26 175.35 1ykn s VAL 177 N 0.80 1.76 -0.85 2.63 1.01 -0.64 -4.88 120.40 120.23 1ykn s VAL 177 Ca -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1ykn s VAL 177 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1ykn s VAL 177 CO 0.02 0.06 0.62 0.47 0.00 0.00 0.00 175.10 176.27 1ykn n ASP 178 N 4.61 -5.02 0.00 3.32 8.00 -1.26 -1.92 116.55 124.29 1ykn n ASP 178 Ca -0.14 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1ykn n ASP 178 Cb 0.45 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 1ykn n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykn n GLY 179 N -1.69 0.70 3.78 0.44 0.00 -1.26 -4.98 105.19 102.19 1ykn n GLY 179 Ca -0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1ykn n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykn s LYS 180 N -0.21 3.92 0.18 1.61 2.20 -0.81 -5.08 119.74 121.56 1ykn s LYS 180 Ca 0.00 -0.16 -0.32 0.00 -0.36 0.00 0.00 55.97 55.13 1ykn s LYS 180 Cb 0.00 -3.34 -0.12 0.00 -1.51 0.00 0.00 37.83 32.86 1ykn s LYS 180 CO 0.00 0.47 1.73 2.41 -0.36 0.00 0.00 175.35 179.61 1ykn n THR 181 N 2.95 0.10 -4.11 3.43 -1.04 -1.26 -1.62 114.28 112.72 1ykn n THR 181 Ca -0.17 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 61.73 1ykn n THR 181 Cb 0.53 -1.95 -0.10 0.00 -1.82 0.00 0.00 70.33 66.99 1ykn n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ykn s ALA 182 N 1.55 0.64 -0.06 2.41 0.00 -0.61 -1.64 121.76 124.05 1ykn s ALA 182 Ca 0.78 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1ykn s ALA 182 Cb -0.53 0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1ykn s ALA 182 CO 0.35 -0.28 -0.06 0.71 0.00 0.00 0.00 175.76 176.48 1ykn s TYR 183 N -3.39 0.98 0.01 0.00 1.51 -0.46 -0.68 117.35 115.31 1ykn s TYR 183 Ca 0.05 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 1ykn s TYR 183 Cb 0.04 -0.85 -0.06 0.00 -0.11 0.00 0.00 41.96 40.99 1ykn s TYR 183 CO -0.07 -0.28 0.42 0.50 -1.11 0.00 0.00 175.55 175.02 1ykn s ARG 184 N 1.14 3.92 -0.19 -0.62 3.52 -0.33 -1.49 118.95 124.91 1ykn s ARG 184 Ca -0.07 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.90 1ykn s ARG 184 Cb -0.14 -3.20 0.08 0.00 -1.56 0.00 0.00 34.95 30.13 1ykn s ARG 184 CO -0.01 0.68 0.17 0.12 -0.81 0.00 0.00 175.30 175.44 1ykn s PHE 185 N -1.11 -0.09 -0.14 5.12 5.36 0.89 -1.71 117.98 126.31 1ykn s PHE 185 Ca 0.25 0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.13 1ykn s PHE 185 Cb -0.17 -0.49 -0.05 0.00 -0.34 0.00 0.00 43.02 41.98 1ykn s PHE 185 CO 0.14 -0.56 0.20 -0.51 -1.46 0.00 0.00 175.22 173.04 1ykn s ASP 186 N 2.25 6.39 -0.11 6.13 1.01 -1.26 -3.85 116.67 127.23 1ykn s ASP 186 Ca 0.05 0.46 -0.05 0.00 0.71 0.00 0.00 52.55 53.72 1ykn s ASP 186 Cb -0.16 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1ykn s ASP 186 CO -0.11 0.26 0.09 -0.63 0.21 0.00 0.00 175.17 174.99 1ykn s ILE 187 N -0.26 5.07 -0.31 0.77 1.01 0.47 -4.93 121.20 123.02 1ykn s ILE 187 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1ykn s ILE 187 Cb -0.12 -3.19 0.09 0.00 0.01 0.00 0.00 42.46 39.24 1ykn s ILE 187 CO 0.03 0.61 0.00 -0.13 0.00 0.00 0.00 174.94 175.45 1ykn s ARG 188 N -0.91 1.61 0.31 2.79 0.52 -1.26 -1.40 118.95 120.61 1ykn s ARG 188 Ca 0.14 -1.58 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1ykn s ARG 188 Cb -0.12 -2.95 0.51 0.00 0.52 0.00 0.00 34.95 32.91 1ykn s ARG 188 CO 0.03 -0.82 1.73 0.82 0.02 0.00 0.00 175.30 177.08 1ykn h ILE 189 N 6.64 1.30 -2.51 1.52 2.04 -1.59 0.42 117.51 125.34 1ykn h ILE 189 Ca -0.10 -1.46 -0.09 0.00 1.00 0.00 0.00 64.86 64.21 1ykn h ILE 189 Cb 1.03 1.67 -0.21 0.00 -0.74 0.00 0.00 36.82 38.56 1ykn h ILE 189 CO 0.49 0.43 -0.08 -1.58 0.00 0.00 0.00 178.15 177.41 1ykn s GLN 190 N -4.17 0.73 0.00 2.37 0.74 -1.26 -4.72 119.66 113.34 1ykn s GLN 190 Ca -0.04 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.76 1ykn s GLN 190 Cb 0.14 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.59 1ykn s GLN 190 CO 0.76 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 1ykn n GLY 191 N 1.98 0.24 3.67 2.59 0.00 -1.26 -3.99 105.19 108.42 1ykn n GLY 191 Ca -0.17 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 1ykn n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykn n GLU 192 N 0.00 2.72 -1.68 1.61 2.13 -1.26 -1.58 120.64 122.58 1ykn n GLU 192 Ca 0.00 1.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.75 1ykn n GLU 192 Cb 0.00 -2.92 -0.01 0.00 0.27 0.00 0.00 31.44 28.78 1ykn n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ykn n GLY 193 N 4.44 0.47 3.67 8.31 0.00 -1.26 -4.91 105.19 115.91 1ykn n GLY 193 Ca 0.20 -0.68 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 1ykn n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykn n GLU 194 N -2.18 1.94 -1.82 1.61 2.13 -0.61 -4.65 120.64 117.06 1ykn n GLU 194 Ca -0.07 0.71 -0.42 0.00 0.66 0.00 0.00 57.16 58.04 1ykn n GLU 194 Cb 0.40 -2.49 -0.02 0.00 0.27 0.00 0.00 31.44 29.60 1ykn n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykn s THR 195 N 2.47 2.23 0.18 6.31 2.01 0.14 -4.93 115.64 124.06 1ykn s THR 195 Ca 0.87 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.74 1ykn s THR 195 Cb -0.76 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1ykn s THR 195 CO 0.48 0.02 1.47 -0.69 -0.69 0.00 0.00 174.62 175.21 1ykn s VAL 196 N 0.64 2.81 0.13 3.82 1.01 -1.26 -4.94 120.40 122.60 1ykn s VAL 196 Ca 0.68 0.61 0.10 0.00 0.00 0.00 0.00 61.98 63.38 1ykn s VAL 196 Cb -0.47 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ykn s VAL 196 CO 0.38 0.07 -0.25 -0.36 0.00 0.00 0.00 175.10 174.94 1ykn s PHE 197 N 0.70 2.18 0.32 5.22 0.08 -1.26 -4.72 117.98 120.49 1ykn s PHE 197 Ca 0.65 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.39 1ykn s PHE 197 Cb -0.41 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1ykn s PHE 197 CO 0.35 0.32 0.15 -0.06 -0.10 0.00 0.00 175.22 175.88 1ykn s PHE 198 N -1.15 2.78 -0.02 0.36 0.08 0.44 -4.98 117.98 115.50 1ykn s PHE 198 Ca 0.13 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.90 1ykn s PHE 198 Cb -0.10 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1ykn s PHE 198 CO 0.06 0.39 -0.09 0.34 -0.10 0.00 0.00 175.22 175.81 1ykn s ASP 199 N -3.84 1.20 0.00 1.36 3.68 -1.26 -4.35 116.67 113.46 1ykn s ASP 199 Ca 0.37 -0.18 0.00 0.00 2.13 0.00 0.00 52.55 54.86 1ykn s ASP 199 Cb -0.04 -0.24 0.00 0.00 -1.45 0.00 0.00 42.92 41.18 1ykn s ASP 199 CO 0.23 0.09 0.00 2.22 0.13 0.00 0.00 175.17 177.84