#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 3.84 -0.07 4.25 -1.09 -1.26 -5.05 121.20 121.83 1ykn s ILE 2 Ca 0.00 1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1ykn s ILE 2 Cb 0.00 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1ykn s ILE 2 CO 0.00 -0.07 0.06 -1.61 -1.23 0.00 0.00 174.94 172.09 1ykn s GLU 3 N 3.41 3.10 0.55 2.79 0.41 -1.26 -5.14 118.70 122.57 1ykn s GLU 3 Ca 0.65 -0.38 0.04 0.00 -0.41 0.00 0.00 54.97 54.88 1ykn s GLU 3 Cb -0.29 -2.90 0.04 0.00 -1.78 0.00 0.00 34.13 29.21 1ykn s GLU 3 CO 0.24 0.70 0.37 1.28 -0.49 0.00 0.00 175.26 177.36 1ykn n LEU 4 N 1.79 0.00 -4.70 1.80 4.32 -1.26 -5.04 117.00 113.91 1ykn n LEU 4 Ca -0.17 -2.95 -0.43 0.00 -0.02 0.00 0.00 56.01 52.44 1ykn n LEU 4 Cb 0.54 0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 1ykn n LEU 4 CO 0.32 -0.58 1.25 0.18 -1.22 0.00 0.00 177.39 177.34 1ykn n LEU 5 N 0.00 3.72 -4.77 2.23 4.77 -1.26 -4.98 117.00 116.71 1ykn n LEU 5 Ca -0.04 1.10 -0.39 0.00 -0.03 0.00 0.00 56.01 56.64 1ykn n LEU 5 Cb 0.64 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1ykn n LEU 5 CO 0.37 -0.04 0.90 -2.16 -1.33 0.00 0.00 177.39 175.13 1ykn s PRO 6 N 0.53 4.16 0.52 3.23 0.04 -1.26 -5.01 135.00 137.22 1ykn s PRO 6 Ca 0.73 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 63.56 1ykn s PRO 6 Cb -0.57 -2.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 1ykn s PRO 6 CO 0.39 -0.28 1.31 -2.00 0.04 0.00 0.00 177.00 176.47 1ykn s GLU 7 N -2.08 3.32 0.18 4.56 2.12 -1.26 -4.95 118.70 120.60 1ykn s GLU 7 Ca 0.54 2.13 -0.32 0.00 0.36 0.00 0.00 54.97 57.68 1ykn s GLU 7 Cb -0.35 -2.31 -0.11 0.00 0.26 0.00 0.00 34.13 31.61 1ykn s GLU 7 CO 0.45 -1.01 1.76 0.99 -0.54 0.00 0.00 175.26 176.90 1ykn s THR 8 N -1.36 2.18 0.67 -1.70 2.01 -1.26 -4.95 115.64 111.24 1ykn s THR 8 Ca 0.69 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 1ykn s THR 8 Cb -0.38 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1ykn s THR 8 CO 0.45 0.00 1.24 -2.84 -0.69 0.00 0.00 174.62 172.78 1ykn s PRO 9 N 1.66 2.47 0.55 4.92 0.02 -1.26 -5.02 135.00 138.34 1ykn s PRO 9 Ca 0.77 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 1ykn s PRO 9 Cb -0.49 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 1ykn s PRO 9 CO 0.33 -1.61 1.01 0.45 -0.33 0.00 0.00 177.00 176.85 1ykn s SER 10 N -1.71 6.33 0.10 2.53 0.15 -1.26 -5.09 113.70 114.75 1ykn s SER 10 Ca 0.78 1.61 -0.00 0.00 0.70 0.00 0.00 55.95 59.03 1ykn s SER 10 Cb -0.32 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 1ykn s SER 10 CO 0.41 -0.79 -0.00 -1.10 1.20 0.00 0.00 173.24 172.95 1ykn s GLN 11 N -4.26 0.82 0.61 5.44 -1.52 -1.20 -4.91 119.66 114.64 1ykn s GLN 11 Ca 0.59 -1.36 -0.19 0.00 -1.95 0.00 0.00 55.36 52.45 1ykn s GLN 11 Cb -0.12 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.74 1ykn s GLN 11 CO 0.37 -0.15 1.32 -2.37 -0.25 0.00 0.00 175.29 174.21 1ykn n THR 12 N -0.03 4.57 0.27 -0.19 5.66 -1.21 -4.80 114.28 118.56 1ykn n THR 12 Ca -0.10 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.55 1ykn n THR 12 Cb 0.62 -1.56 0.72 0.00 -1.55 0.00 0.00 70.33 68.57 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 0.86 1.08 -0.33 1.79 0.00 -1.73 -3.49 119.26 117.43 1ykn h ALA 13 Ca -0.51 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1ykn h ALA 13 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ykn h ALA 13 CO 0.54 0.10 -0.09 0.41 0.00 0.00 0.00 179.25 180.22 1ykn n GLY 14 N -0.30 -1.98 0.22 0.00 0.00 -1.26 -4.13 105.19 97.75 1ykn n GLY 14 Ca -0.01 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.14 0.16 -1.07 1.61 0.13 -1.93 -2.74 132.00 128.02 1ykn h PRO 15 Ca -0.01 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.53 1ykn h PRO 15 Cb 0.13 -0.02 -0.26 0.00 0.13 0.00 0.00 31.00 30.98 1ykn h PRO 15 CO 0.00 0.38 0.70 0.66 -0.23 0.00 0.00 178.00 179.52 1ykn n TYR 16 N -4.21 2.81 0.25 1.56 4.01 -1.26 -4.55 117.16 115.77 1ykn n TYR 16 Ca -0.01 -2.37 0.15 0.00 -0.16 0.00 0.00 57.90 55.50 1ykn n TYR 16 Cb 0.32 -1.16 0.83 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.96 0.61 -0.16 -0.72 3.04 -1.64 0.18 116.25 118.52 1ykn h VAL 17 Ca 0.55 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 66.29 1ykn h VAL 17 Cb 1.54 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1ykn h VAL 17 CO 1.25 0.00 0.14 0.45 -1.01 0.00 0.00 177.57 178.40 1ykn h HIS 18 N 0.00 0.00 -0.41 3.17 3.86 -1.87 -0.38 115.15 119.52 1ykn h HIS 18 Ca 0.04 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1ykn h HIS 18 Cb 0.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1ykn h HIS 18 CO 0.00 0.00 -0.03 -0.84 0.86 0.00 0.00 177.93 177.92 1ykn h ILE 19 N 0.00 1.23 0.00 2.45 3.07 -0.90 0.41 117.51 123.78 1ykn h ILE 19 Ca 0.08 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.51 1ykn h ILE 19 Cb 0.36 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 1ykn h ILE 19 CO -0.00 0.34 -1.71 0.61 -1.05 0.00 0.00 178.15 176.34 1ykn n GLY 20 N -0.67 -1.01 0.00 0.16 0.00 -0.60 -4.55 105.19 98.51 1ykn n GLY 20 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.07 0.06 -3.13 0.99 4.77 -0.25 -4.85 117.00 112.52 1ykn n LEU 21 Ca -0.02 -0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 55.46 1ykn n LEU 21 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1ykn n LEU 21 CO 0.45 0.02 -0.19 0.00 -1.33 0.00 0.00 177.39 176.34 1ykn n ALA 22 N -0.49 1.76 -0.10 -1.18 0.00 0.14 -4.96 120.51 115.68 1ykn n ALA 22 Ca 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 53.44 50.23 1ykn n ALA 22 Cb 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 3.38 -0.52 0.34 0.00 4.07 -1.75 -0.89 115.31 119.94 1ykn h LEU 23 Ca 0.06 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 1ykn h LEU 23 Cb 0.95 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 1ykn h LEU 23 CO 0.45 -0.18 -0.31 -0.08 -1.08 0.00 0.00 178.44 177.23 1ykn h GLU 24 N -0.08 -0.64 -0.08 1.13 4.81 -1.88 0.01 114.58 117.86 1ykn h GLU 24 Ca 0.18 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ykn h GLU 24 Cb 0.36 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ykn h GLU 24 CO -0.42 -0.43 0.22 0.00 -0.73 0.00 0.00 179.01 177.65 1ykn h ALA 25 N -0.14 1.42 -0.50 2.92 0.00 -1.70 0.32 119.26 121.58 1ykn h ALA 25 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ykn h ALA 25 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ykn h ALA 25 CO -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1ykn n ALA 26 N -2.08 2.75 -1.37 0.00 0.00 -0.08 -4.92 120.51 114.80 1ykn n ALA 26 Ca -0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.23 1ykn n ALA 26 Cb 0.30 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 1.08 1.25 3.91 0.00 0.00 0.11 -4.97 105.19 106.57 1ykn n GLY 27 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.12 6.34 0.43 1.61 0.01 -0.78 -5.00 114.94 115.43 1ykn s ASN 28 Ca 0.00 0.76 -0.24 0.00 -0.71 0.00 0.00 52.86 52.66 1ykn s ASN 28 Cb 0.00 -2.17 -0.08 0.00 0.41 0.00 0.00 41.25 39.42 1ykn s ASN 28 CO 0.00 -0.39 1.23 -2.16 -1.51 0.00 0.00 177.10 174.27 1ykn s PRO 29 N -4.25 3.85 0.55 -0.60 0.04 -1.26 -4.01 135.00 129.31 1ykn s PRO 29 Ca 0.45 1.96 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 1ykn s PRO 29 Cb -0.10 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.88 1ykn s PRO 29 CO 0.37 -0.53 0.80 0.95 0.04 0.00 0.00 177.00 178.64 1ykn s THR 30 N -1.39 3.37 0.73 1.26 -4.23 -1.26 -4.81 115.64 109.30 1ykn s THR 30 Ca 0.60 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1ykn s THR 30 Cb -0.33 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.32 1ykn s THR 30 CO 0.41 -0.25 1.01 -0.13 -0.54 0.00 0.00 174.62 175.13 1ykn s ARG 31 N -4.81 1.76 0.12 3.99 0.52 -1.26 -5.02 118.95 114.24 1ykn s ARG 31 Ca 0.53 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 1ykn s ARG 31 Cb -0.10 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 1ykn s ARG 31 CO 0.41 -1.44 1.72 -0.44 0.02 0.00 0.00 175.30 175.58 1ykn h ASP 32 N -0.61 0.31 -3.43 0.23 3.32 -2.07 -3.40 116.42 110.77 1ykn h ASP 32 Ca -0.40 -0.08 -0.67 0.00 0.02 0.00 0.00 57.03 55.91 1ykn h ASP 32 Cb 1.28 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 1ykn h ASP 32 CO 0.46 0.30 -0.75 -1.10 -1.72 0.00 0.00 179.24 176.43 1ykn s GLN 33 N -5.90 3.02 -0.01 3.56 -0.21 -1.26 -5.11 119.66 113.75 1ykn s GLN 33 Ca -0.13 -0.85 0.07 0.00 0.02 0.00 0.00 55.36 54.47 1ykn s GLN 33 Cb 0.09 -2.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 1ykn s GLN 33 CO 0.71 -0.32 -0.23 -1.21 -2.12 0.00 0.00 175.29 172.12 1ykn s GLU 34 N 1.37 1.83 -0.49 2.91 0.41 -1.26 -5.10 118.70 118.37 1ykn s GLU 34 Ca 0.02 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.47 1ykn s GLU 34 Cb -0.16 -1.79 0.03 0.00 -1.78 0.00 0.00 34.13 30.43 1ykn s GLU 34 CO -0.05 0.49 1.00 0.42 -0.49 0.00 0.00 175.26 176.63 1ykn s ILE 35 N -0.57 4.36 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.09 1ykn s ILE 35 Ca 0.09 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1ykn s ILE 35 Cb -0.09 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.87 1ykn s ILE 35 CO -0.01 -0.95 0.00 1.87 0.00 0.00 0.00 174.94 175.85 1ykn n TRP 36 N 7.48 0.00 0.27 3.97 -0.00 -1.26 -4.58 117.44 123.32 1ykn n TRP 36 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.62 1ykn n TRP 36 Cb 0.49 0.00 0.20 0.00 -0.00 0.00 0.00 31.31 32.00 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 3.01 -4.17 5.87 6.94 -0.90 -2.05 115.26 123.96 1ykn n ASN 37 Ca 0.00 -2.31 -0.39 0.00 -0.02 0.00 0.00 54.58 51.86 1ykn n ASN 37 Cb 0.00 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 36.86 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 -1.76 2.57 0.24 -3.83 3.52 -1.26 -0.67 118.95 117.76 1ykn s ARG 38 Ca 0.28 -2.15 0.16 0.00 -0.13 0.00 0.00 55.73 53.90 1ykn s ARG 38 Cb 0.19 -3.86 0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1ykn s ARG 38 CO 0.12 -1.18 1.30 -0.07 -0.81 0.00 0.00 175.30 174.66 1ykn h LEU 39 N 7.77 0.00 -7.99 -0.88 4.07 -0.51 -3.45 115.31 114.32 1ykn h LEU 39 Ca -0.08 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.25 1ykn h LEU 39 Cb 1.02 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 42.41 1ykn h LEU 39 CO 0.76 0.45 -0.85 0.00 -1.08 0.00 0.00 178.44 177.73 1ykn s ALA 40 N -2.99 2.03 0.81 1.53 0.00 -1.20 -1.11 121.76 120.83 1ykn s ALA 40 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1ykn s ALA 40 Cb 0.08 -1.06 0.08 0.00 0.00 0.00 0.00 23.12 22.22 1ykn s ALA 40 CO 0.76 -0.29 1.10 0.15 0.00 0.00 0.00 175.76 177.47 1ykn s LYS 41 N 1.28 1.98 0.56 0.00 1.02 0.22 -4.79 119.74 120.02 1ykn s LYS 41 Ca 0.02 1.15 0.24 0.00 0.02 0.00 0.00 55.97 57.40 1ykn s LYS 41 Cb -0.13 -1.87 1.55 0.00 -0.52 0.00 0.00 37.83 36.86 1ykn s LYS 41 CO -0.09 -1.83 2.17 -1.35 -0.92 0.00 0.00 175.35 173.32 1ykn h PRO 42 N -1.27 0.00 -0.93 -1.68 0.11 -2.00 -2.61 132.00 123.62 1ykn h PRO 42 Ca -0.44 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1ykn h PRO 42 Cb 1.24 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1ykn h PRO 42 CO 0.51 0.00 0.18 -0.40 -0.21 0.00 0.00 178.00 178.08 1ykn n ASP 43 N -4.14 3.27 -4.87 -2.05 5.75 -1.26 -4.91 116.55 108.34 1ykn n ASP 43 Ca -0.01 -2.61 -0.34 0.00 -0.01 0.00 0.00 54.79 51.82 1ykn n ASP 43 Cb 0.18 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.60 3.73 0.67 2.12 0.00 -0.99 -5.02 121.76 120.68 1ykn s ALA 44 Ca 0.25 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 1ykn s ALA 44 Cb 0.21 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1ykn s ALA 44 CO 0.06 0.58 1.21 -1.25 0.00 0.00 0.00 175.76 176.36 1ykn s PRO 45 N -2.03 2.50 0.00 0.00 0.04 -1.26 -4.89 135.00 129.36 1ykn s PRO 45 Ca 0.34 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ykn s PRO 45 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ykn s PRO 45 CO 0.19 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1ykn n GLY 46 N 0.40 -0.45 3.54 0.56 0.00 -1.26 -4.64 105.19 103.35 1ykn n GLY 46 Ca 0.13 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.19 3.56 0.15 1.61 2.12 -1.26 -4.97 118.70 119.72 1ykn s GLU 47 Ca 0.00 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1ykn s GLU 47 Cb 0.00 -3.79 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 1ykn s GLU 47 CO 0.00 -0.43 1.15 -1.01 -0.54 0.00 0.00 175.26 174.43 1ykn s HIS 48 N 1.78 3.50 0.13 5.30 3.76 -1.26 -2.44 115.29 126.06 1ykn s HIS 48 Ca 0.07 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 1ykn s HIS 48 Cb -0.17 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 1ykn s HIS 48 CO 0.11 -0.95 0.00 0.96 -0.85 0.00 0.00 174.74 174.01 1ykn s ILE 49 N 0.18 0.42 -0.11 0.60 -4.36 -0.60 -4.65 121.20 112.68 1ykn s ILE 49 Ca 0.53 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 1ykn s ILE 49 Cb -0.30 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 1ykn s ILE 49 CO 0.34 -0.63 -0.14 -0.22 0.24 0.00 0.00 174.94 174.53 1ykn s LEU 50 N -3.07 2.69 -0.10 0.37 2.96 -0.74 -2.57 118.68 118.22 1ykn s LEU 50 Ca 0.19 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1ykn s LEU 50 Cb 0.07 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1ykn s LEU 50 CO -0.01 0.20 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.37 1ykn s LEU 51 N 0.16 3.01 0.04 -0.68 1.43 -0.76 -0.62 118.68 121.25 1ykn s LEU 51 Ca -0.07 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1ykn s LEU 51 Cb -0.15 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1ykn s LEU 51 CO 0.05 0.27 0.23 -1.48 0.23 0.00 0.00 176.35 175.64 1ykn s LEU 52 N -0.24 1.21 0.07 1.79 -0.00 -0.90 -1.34 118.68 119.28 1ykn s LEU 52 Ca 0.03 -0.28 -0.27 0.00 -0.00 0.00 0.00 54.13 53.60 1ykn s LEU 52 Cb -0.13 1.07 0.09 0.00 -0.00 0.00 0.00 46.19 47.23 1ykn s LEU 52 CO 0.03 -0.56 1.13 -0.83 -0.00 0.00 0.00 176.35 176.12 1ykn s GLY 53 N -2.00 -0.25 0.39 -3.48 0.00 -1.14 -0.13 107.32 100.71 1ykn s GLY 53 Ca -0.06 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.00 1ykn s GLY 53 CO -0.03 0.80 0.03 1.20 0.00 0.00 0.00 173.10 175.10 1ykn s GLN 54 N -2.68 1.88 -0.06 2.90 -0.21 -1.25 -2.00 119.66 118.24 1ykn s GLN 54 Ca 0.16 -2.07 0.05 0.00 0.02 0.00 0.00 55.36 53.51 1ykn s GLN 54 Cb 0.01 -1.33 -0.02 0.00 1.00 0.00 0.00 33.01 32.68 1ykn s GLN 54 CO -0.00 -0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 172.91 1ykn s VAL 55 N -2.94 2.54 0.01 1.09 1.01 -1.26 -0.89 120.40 119.96 1ykn s VAL 55 Ca 0.32 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1ykn s VAL 55 Cb 0.09 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1ykn s VAL 55 CO 0.16 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.31 1ykn s TYR 56 N -0.33 1.87 0.00 5.22 1.51 -0.19 -0.78 117.35 124.65 1ykn s TYR 56 Ca 0.02 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1ykn s TYR 56 Cb -0.13 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1ykn s TYR 56 CO 0.02 0.02 0.00 -0.40 -1.11 0.00 0.00 175.55 174.08 1ykn n ASP 57 N 2.30 0.00 -0.34 2.29 5.68 -0.58 -1.79 116.55 124.11 1ykn n ASP 57 Ca -0.16 -0.68 0.14 0.00 -0.50 0.00 0.00 54.79 53.59 1ykn n ASP 57 Cb 0.53 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.14 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 5.00 -0.28 0.98 6.12 0.00 -1.26 -2.42 105.19 113.33 1ykn n GLY 58 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.16 3.02 0.00 1.61 3.02 -1.26 -4.79 115.26 116.70 1ykn n ASN 59 Ca 0.20 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1ykn n ASN 59 Cb 0.28 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.37 0.73 3.88 7.41 0.00 -1.02 -5.05 105.19 112.51 1ykn n GLY 60 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.05 3.55 0.65 1.61 3.76 -1.26 -4.87 115.29 116.69 1ykn s HIS 61 Ca 0.00 0.45 -0.17 0.00 -0.15 0.00 0.00 55.06 55.18 1ykn s HIS 61 Cb 0.00 -1.89 -0.00 0.00 1.11 0.00 0.00 32.58 31.79 1ykn s HIS 61 CO 0.00 0.69 1.25 -0.51 -0.85 0.00 0.00 174.74 175.32 1ykn s LEU 62 N -1.33 3.53 -0.40 0.89 1.43 -1.26 -1.52 118.68 120.01 1ykn s LEU 62 Ca 0.19 2.49 -0.06 0.00 -1.03 0.00 0.00 54.13 55.72 1ykn s LEU 62 Cb -0.12 -4.61 0.08 0.00 0.03 0.00 0.00 46.19 41.57 1ykn s LEU 62 CO 0.09 -1.96 0.20 -0.69 0.23 0.00 0.00 176.35 174.22 1ykn s VAL 63 N -1.61 3.79 -2.23 -1.59 1.01 0.04 -4.76 120.40 115.05 1ykn s VAL 63 Ca 0.79 -1.55 0.19 0.00 0.00 0.00 0.00 61.98 61.40 1ykn s VAL 63 Cb -0.33 -3.36 0.43 0.00 0.00 0.00 0.00 36.38 33.11 1ykn s VAL 63 CO 0.39 -0.48 1.46 0.54 0.00 0.00 0.00 175.10 177.01 1ykn n ARG 64 N 4.79 1.91 -0.24 2.72 1.74 -1.26 -4.21 116.66 122.11 1ykn n ARG 64 Ca -0.09 -1.39 0.08 0.00 -0.77 0.00 0.00 57.85 55.68 1ykn n ARG 64 Cb 0.43 -1.39 0.12 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.61 1.85 -4.85 0.55 5.68 -1.24 -3.26 116.55 115.89 1ykn n ASP 65 Ca 0.16 -2.96 -0.31 0.00 -0.50 0.00 0.00 54.79 51.18 1ykn n ASP 65 Cb 0.38 -0.40 0.04 0.00 -1.14 0.00 0.00 41.12 40.00 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 -2.58 5.66 -0.02 -1.12 1.04 -1.23 -4.66 113.70 110.80 1ykn s SER 66 Ca 0.27 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1ykn s SER 66 Cb 0.24 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 64.05 1ykn s SER 66 CO 0.01 -1.24 0.00 0.12 0.98 0.00 0.00 173.24 173.12 1ykn s PHE 67 N -3.17 0.19 -0.02 5.02 5.36 -0.64 -2.29 117.98 122.44 1ykn s PHE 67 Ca 0.57 0.03 0.03 0.00 -0.96 0.00 0.00 56.93 56.60 1ykn s PHE 67 Cb -0.12 -0.28 -0.00 0.00 -0.34 0.00 0.00 43.02 42.28 1ykn s PHE 67 CO 0.54 -0.08 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.60 1ykn s LEU 68 N 0.76 1.91 -0.02 6.12 1.02 -0.61 -1.40 118.68 126.46 1ykn s LEU 68 Ca -0.07 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 53.91 1ykn s LEU 68 Cb -0.10 -0.57 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 1ykn s LEU 68 CO -0.02 0.10 -0.10 -1.61 0.02 0.00 0.00 176.35 174.75 1ykn s GLU 69 N -0.05 2.53 0.16 1.70 2.02 -0.26 -2.08 118.70 122.72 1ykn s GLU 69 Ca 0.01 -0.70 0.08 0.00 0.02 0.00 0.00 54.97 54.38 1ykn s GLU 69 Cb -0.06 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1ykn s GLU 69 CO 0.00 0.62 -0.17 0.14 0.02 0.00 0.00 175.26 175.86 1ykn s VAL 70 N -0.87 1.73 -0.15 2.63 -7.23 -0.46 -0.51 120.40 115.54 1ykn s VAL 70 Ca 0.14 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1ykn s VAL 70 Cb -0.11 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.10 1ykn s VAL 70 CO 0.04 -0.33 0.33 0.86 -0.31 0.00 0.00 175.10 175.68 1ykn s TRP 71 N -2.07 -0.51 -0.02 2.82 -0.11 -0.50 -1.93 118.94 116.62 1ykn s TRP 71 Ca 0.15 1.10 -0.15 0.00 1.22 0.00 0.00 56.10 58.42 1ykn s TRP 71 Cb -0.05 0.14 0.02 0.00 -1.50 0.00 0.00 33.47 32.07 1ykn s TRP 71 CO 0.06 -0.34 0.32 1.14 -4.62 0.00 0.00 176.95 173.51 1ykn s GLN 72 N 1.80 0.67 0.65 5.86 -2.07 -0.36 -0.69 119.66 125.51 1ykn s GLN 72 Ca -0.06 -0.16 -0.16 0.00 -1.82 0.00 0.00 55.36 53.16 1ykn s GLN 72 Cb -0.10 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.11 1ykn s GLN 72 CO -0.10 -0.18 1.14 0.00 -1.32 0.00 0.00 175.29 174.82 1ykn s ALA 73 N -1.28 2.44 1.15 2.60 0.00 -1.26 -4.47 121.76 120.94 1ykn s ALA 73 Ca -0.13 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1ykn s ALA 73 Cb -0.05 -3.36 0.23 0.00 0.00 0.00 0.00 23.12 19.94 1ykn s ALA 73 CO 0.04 -1.31 0.94 -0.40 0.00 0.00 0.00 175.76 175.04 1ykn n ASP 74 N -2.25 -1.36 0.12 0.00 5.68 0.34 -4.37 116.55 114.71 1ykn n ASP 74 Ca 0.11 -1.14 0.17 0.00 -0.50 0.00 0.00 54.79 53.43 1ykn n ASP 74 Cb 0.51 -0.82 0.72 0.00 -1.14 0.00 0.00 41.12 40.39 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 -2.40 2.18 -0.22 2.12 0.00 -1.82 0.77 119.26 119.89 1ykn h ALA 75 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ykn h ALA 75 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ykn h ALA 75 CO 0.23 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 179.16 1ykn n ASN 76 N -4.23 1.19 -0.68 0.00 3.02 -1.26 -3.30 115.26 110.00 1ykn n ASN 76 Ca 0.04 -1.99 -0.06 0.00 -0.03 0.00 0.00 54.58 52.55 1ykn n ASN 76 Cb 0.41 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.86 0.17 3.28 7.41 0.00 -0.33 -4.67 105.19 111.91 1ykn n GLY 77 Ca 0.08 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.35 2.95 -0.25 1.61 2.02 -1.26 -4.69 118.70 114.73 1ykn s GLU 78 Ca 0.01 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 1ykn s GLU 78 Cb -0.00 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1ykn s GLU 78 CO 0.01 0.27 0.89 0.71 0.02 0.00 0.00 175.26 177.17 1ykn s TYR 79 N 0.13 3.30 -0.57 1.61 1.51 -1.26 -0.50 117.35 121.56 1ykn s TYR 79 Ca -0.11 1.19 -0.17 0.00 -1.01 0.00 0.00 57.07 56.97 1ykn s TYR 79 Cb -0.16 -3.16 0.12 0.00 -0.11 0.00 0.00 41.96 38.65 1ykn s TYR 79 CO 0.06 -0.46 0.60 -0.65 -1.11 0.00 0.00 175.55 174.00 1ykn s GLN 80 N 2.99 3.02 0.11 -0.62 -1.52 -1.26 -4.92 119.66 117.46 1ykn s GLN 80 Ca 0.38 -1.53 0.12 0.00 -1.95 0.00 0.00 55.36 52.37 1ykn s GLN 80 Cb -0.15 -4.29 -0.14 0.00 -0.22 0.00 0.00 33.01 28.21 1ykn s GLN 80 CO 0.08 -1.43 1.10 0.38 -0.25 0.00 0.00 175.29 175.17 1ykn h ASP 81 N 9.02 0.00 -1.43 5.90 2.03 -1.97 -3.25 116.42 126.72 1ykn h ASP 81 Ca -0.29 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.62 1ykn h ASP 81 Cb 1.09 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.57 1ykn h ASP 81 CO 1.07 0.82 1.12 0.00 -1.03 0.00 0.00 179.24 181.22 1ykn s ALA 82 N -2.78 1.77 0.20 4.15 0.00 -1.26 -4.94 121.76 118.90 1ykn s ALA 82 Ca -0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1ykn s ALA 82 Cb 0.09 -4.40 -0.08 0.00 0.00 0.00 0.00 23.12 18.72 1ykn s ALA 82 CO 0.80 -4.46 1.18 -0.47 0.00 0.00 0.00 175.76 172.81 1ykn s TYR 83 N 10.62 3.46 -0.29 0.00 5.04 -1.26 -5.01 117.35 129.92 1ykn s TYR 83 Ca 0.77 1.48 -0.15 0.00 -2.44 0.00 0.00 57.07 56.73 1ykn s TYR 83 Cb -0.12 -3.40 0.11 0.00 0.35 0.00 0.00 41.96 38.90 1ykn s TYR 83 CO 0.15 -1.06 0.76 1.21 -1.34 0.00 0.00 175.55 175.28 1ykn s ASN 84 N -0.03 -0.86 0.01 4.32 3.84 -1.26 -5.01 114.94 115.95 1ykn s ASN 84 Ca 0.51 1.33 0.05 0.00 0.21 0.00 0.00 52.86 54.97 1ykn s ASN 84 Cb -0.32 1.48 0.23 0.00 -0.55 0.00 0.00 41.25 42.09 1ykn s ASN 84 CO 0.37 -0.21 1.17 0.18 -2.79 0.00 0.00 177.10 175.82 1ykn n LEU 85 N 4.36 0.02 -0.50 3.21 4.77 -1.26 -2.42 117.00 125.17 1ykn n LEU 85 Ca -0.18 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1ykn n LEU 85 Cb 0.57 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.46 1ykn n LEU 85 CO -0.01 -0.43 0.66 -0.62 -1.33 0.00 0.00 177.39 175.66 1ykn n GLU 86 N -1.52 1.46 -2.59 3.23 1.02 -1.26 -4.94 120.64 116.04 1ykn n GLU 86 Ca 0.01 -1.01 -0.32 0.00 -0.02 0.00 0.00 57.16 55.82 1ykn n GLU 86 Cb 0.06 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1ykn n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykn s ASN 87 N -2.24 6.66 0.37 1.62 0.01 -1.02 -4.95 114.94 115.40 1ykn s ASN 87 Ca 0.29 1.49 0.18 0.00 -0.71 0.00 0.00 52.86 54.11 1ykn s ASN 87 Cb 0.20 -2.47 0.62 0.00 0.41 0.00 0.00 41.25 40.01 1ykn s ASN 87 CO 0.43 -0.49 1.71 0.00 -1.51 0.00 0.00 177.10 177.23 1ykn h ALA 88 N 1.21 0.96 -3.41 0.60 0.00 -1.92 -3.44 119.26 113.26 1ykn h ALA 88 Ca -0.47 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 53.84 1ykn h ALA 88 Cb 1.18 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.61 1ykn h ALA 88 CO 0.62 0.48 -0.64 0.12 0.00 0.00 0.00 179.25 179.84 1ykn s PHE 89 N -3.55 -0.09 -0.03 0.00 5.36 -1.26 0.73 117.98 119.14 1ykn s PHE 89 Ca 0.00 0.31 0.05 0.00 -0.96 0.00 0.00 56.93 56.34 1ykn s PHE 89 Cb 0.11 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1ykn s PHE 89 CO 0.69 -0.10 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.35 1ykn s ASN 90 N 0.74 2.34 0.12 6.13 0.01 -0.27 -4.96 114.94 119.06 1ykn s ASN 90 Ca -0.06 -0.38 0.24 0.00 -0.71 0.00 0.00 52.86 51.95 1ykn s ASN 90 Cb -0.08 -0.50 0.92 0.00 0.41 0.00 0.00 41.25 42.01 1ykn s ASN 90 CO -0.03 0.20 1.73 -1.20 -1.51 0.00 0.00 177.10 176.29 1ykn n SER 91 N 2.90 0.39 -4.53 -1.22 7.64 -1.23 -4.75 113.62 112.83 1ykn n SER 91 Ca -0.17 0.56 -0.28 0.00 1.01 0.00 0.00 58.87 60.00 1ykn n SER 91 Cb 0.53 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.11 2.56 0.31 1.43 5.36 -1.26 -1.22 117.98 122.05 1ykn s PHE 92 Ca 0.09 -0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 55.62 1ykn s PHE 92 Cb 0.13 -1.28 0.04 0.00 -0.34 0.00 0.00 43.02 41.56 1ykn s PHE 92 CO 0.46 0.48 0.79 0.20 -1.46 0.00 0.00 175.22 175.68 1ykn s GLY 93 N -2.61 0.11 0.05 13.12 0.00 -0.81 -4.86 107.32 112.31 1ykn s GLY 93 Ca 0.22 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1ykn s GLY 93 CO 0.13 -0.01 -0.06 0.50 0.00 0.00 0.00 173.10 173.67 1ykn s ARG 94 N -3.07 0.53 0.35 2.90 0.52 -0.87 -1.35 118.95 117.97 1ykn s ARG 94 Ca 0.14 -0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1ykn s ARG 94 Cb -0.05 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.35 1ykn s ARG 94 CO 0.08 -0.01 0.59 -0.08 0.02 0.00 0.00 175.30 175.91 1ykn s THR 95 N -2.16 0.00 0.07 0.02 -1.32 -0.89 -2.13 115.64 109.24 1ykn s THR 95 Ca -0.05 -1.36 -0.26 0.00 -1.21 0.00 0.00 61.69 58.81 1ykn s THR 95 Cb -0.05 -2.69 0.09 0.00 -1.51 0.00 0.00 72.50 68.34 1ykn s THR 95 CO -0.02 0.00 0.74 0.00 -2.21 0.00 0.00 174.62 173.13 1ykn s ALA 96 N -2.85 -1.71 -0.15 11.08 0.00 -1.26 -1.57 121.76 125.29 1ykn s ALA 96 Ca 0.24 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1ykn s ALA 96 Cb -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1ykn s ALA 96 CO 0.16 -0.71 -0.07 0.95 0.00 0.00 0.00 175.76 176.09 1ykn s THR 97 N -3.32 3.52 0.49 0.00 -4.23 -0.97 -4.02 115.64 107.12 1ykn s THR 97 Ca 0.02 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1ykn s THR 97 Cb -0.01 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1ykn s THR 97 CO -0.10 0.50 0.13 0.35 -0.54 0.00 0.00 174.62 174.95 1ykn n THR 98 N 3.62 0.00 0.15 3.99 -2.24 0.17 -3.47 114.28 116.51 1ykn n THR 98 Ca -0.18 -2.18 0.03 0.00 -2.27 0.00 0.00 64.05 59.45 1ykn n THR 98 Cb 0.52 0.28 0.39 0.00 -2.10 0.00 0.00 70.33 69.42 1ykn n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykn h PHE 99 N 1.05 0.14 -0.05 4.78 0.04 -1.92 -3.29 116.94 117.69 1ykn h PHE 99 Ca -0.37 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.34 1ykn h PHE 99 Cb 1.19 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1ykn h PHE 99 CO 0.00 0.36 -0.12 -0.44 -0.60 0.00 0.00 178.31 177.51 1ykn h ASP 100 N 0.12 0.18 -3.52 2.17 3.32 -1.96 -3.41 116.42 113.32 1ykn h ASP 100 Ca 0.02 -0.60 -0.67 0.00 0.02 0.00 0.00 57.03 55.80 1ykn h ASP 100 Cb 0.48 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 39.68 1ykn h ASP 100 CO 0.03 0.75 -0.71 0.00 -1.72 0.00 0.00 179.24 177.59 1ykn s ALA 101 N -3.83 2.81 -1.35 3.45 0.00 -1.24 -5.00 121.76 116.61 1ykn s ALA 101 Ca -0.16 -1.42 0.28 0.00 0.00 0.00 0.00 51.96 50.67 1ykn s ALA 101 Cb 0.02 -1.82 1.05 0.00 0.00 0.00 0.00 23.12 22.37 1ykn s ALA 101 CO 0.72 -0.79 1.76 0.41 0.00 0.00 0.00 175.76 177.86 1ykn n GLY 102 N 4.74 -1.13 3.31 0.00 0.00 -1.25 0.46 105.19 111.33 1ykn n GLY 102 Ca -0.16 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.72 3.03 0.45 1.61 2.12 -1.26 -4.54 118.70 117.38 1ykn s GLU 103 Ca 0.21 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 1ykn s GLU 103 Cb 0.19 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 32.16 1ykn s GLU 103 CO 0.54 0.28 0.68 1.67 -0.54 0.00 0.00 175.26 177.89 1ykn s TRP 104 N 0.14 3.31 0.06 5.30 1.48 -0.84 -4.79 118.94 123.59 1ykn s TRP 104 Ca -0.10 0.34 -0.04 0.00 -1.06 0.00 0.00 56.10 55.25 1ykn s TRP 104 Cb -0.16 -2.28 -0.02 0.00 -1.16 0.00 0.00 33.47 29.85 1ykn s TRP 104 CO 0.06 -0.31 0.05 0.95 -4.06 0.00 0.00 176.95 173.64 1ykn s THR 105 N -2.57 0.19 -0.11 0.66 -4.23 -1.26 -2.90 115.64 105.42 1ykn s THR 105 Ca 0.47 -1.52 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 1ykn s THR 105 Cb -0.10 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.40 1ykn s THR 105 CO 0.39 -0.84 0.28 -0.22 -0.54 0.00 0.00 174.62 173.69 1ykn s LEU 106 N -2.79 0.82 -0.10 4.79 2.96 -0.45 -4.82 118.68 119.09 1ykn s LEU 106 Ca 0.05 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1ykn s LEU 106 Cb 0.06 0.95 -0.02 0.00 0.50 0.00 0.00 46.19 47.68 1ykn s LEU 106 CO -0.10 -0.11 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.67 1ykn s HIS 107 N 0.34 2.74 0.00 5.38 3.76 0.16 -1.83 115.29 125.83 1ykn s HIS 107 Ca -0.02 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1ykn s HIS 107 Cb -0.03 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.89 1ykn s HIS 107 CO -0.01 -0.13 0.00 -2.37 -0.85 0.00 0.00 174.74 171.37 1ykn n THR 108 N 3.19 0.00 -4.24 1.30 5.66 -1.06 0.23 114.28 119.36 1ykn n THR 108 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 1ykn n THR 108 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.51 1.38 0.02 1.08 -7.23 -1.26 -1.56 120.40 110.32 1ykn s VAL 109 Ca 0.00 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 1ykn s VAL 109 Cb 0.00 -1.41 -0.07 0.00 0.56 0.00 0.00 36.38 35.45 1ykn s VAL 109 CO 0.00 -0.27 1.63 -0.75 -0.31 0.00 0.00 175.10 175.40 1ykn s LYS 110 N -2.22 4.20 0.44 4.82 2.20 -1.02 -4.90 119.74 123.26 1ykn s LYS 110 Ca 0.05 2.25 -0.24 0.00 -0.36 0.00 0.00 55.97 57.67 1ykn s LYS 110 Cb -0.08 -3.74 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 1ykn s LYS 110 CO 0.03 -0.76 1.20 -1.25 -0.36 0.00 0.00 175.35 174.22 1ykn s PRO 111 N 3.12 3.83 0.82 4.03 0.04 -1.26 -4.16 135.00 141.42 1ykn s PRO 111 Ca 0.73 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.52 1ykn s PRO 111 Cb -0.37 -2.53 0.19 0.00 0.04 0.00 0.00 34.50 31.83 1ykn s PRO 111 CO 0.31 -0.52 0.94 0.41 0.04 0.00 0.00 177.00 178.18 1ykn n GLY 112 N 0.56 -1.92 3.74 0.56 0.00 0.12 -4.75 105.19 103.49 1ykn n GLY 112 Ca 0.06 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1ykn n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykn s VAL 113 N -2.93 5.16 0.23 1.61 1.01 -1.26 -4.24 120.40 119.97 1ykn s VAL 113 Ca 0.56 0.94 0.11 0.00 0.00 0.00 0.00 61.98 63.59 1ykn s VAL 113 Cb -0.03 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1ykn s VAL 113 CO 0.41 0.36 -0.19 0.68 0.00 0.00 0.00 175.10 176.35 1ykn s VAL 114 N 0.41 2.57 0.18 2.92 -7.23 -1.26 -4.35 120.40 113.64 1ykn s VAL 114 Ca 0.26 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1ykn s VAL 114 Cb -0.15 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1ykn s VAL 114 CO 0.11 -0.23 0.35 0.20 -0.31 0.00 0.00 175.10 175.22 1ykn s ASN 115 N -3.04 6.37 1.05 4.85 0.01 -1.26 -1.00 114.94 121.93 1ykn s ASN 115 Ca 0.25 0.32 -0.18 0.00 -0.71 0.00 0.00 52.86 52.54 1ykn s ASN 115 Cb -0.07 -1.97 0.24 0.00 0.41 0.00 0.00 41.25 39.86 1ykn s ASN 115 CO 0.13 -0.00 1.29 0.54 -1.51 0.00 0.00 177.10 177.54 1ykn s ASN 116 N -3.17 2.28 0.46 -1.22 4.22 -0.37 -4.87 114.94 112.28 1ykn s ASN 116 Ca 0.37 0.26 0.25 0.00 -2.14 0.00 0.00 52.86 51.61 1ykn s ASN 116 Cb -0.11 -0.27 0.98 0.00 1.28 0.00 0.00 41.25 43.12 1ykn s ASN 116 CO 0.29 -3.25 1.85 0.00 -2.04 0.00 0.00 177.10 173.94 1ykn h ALA 117 N -2.00 1.02 -0.07 3.54 0.00 -1.98 -1.64 119.26 118.12 1ykn h ALA 117 Ca -0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ykn h ALA 117 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ykn h ALA 117 CO 0.32 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1ykn n ALA 118 N -2.21 2.54 -1.00 0.00 0.00 -1.26 -4.93 120.51 113.65 1ykn n ALA 118 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ykn n ALA 118 Cb 0.41 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.80 0.52 3.75 0.00 0.00 -0.62 -5.03 105.19 104.61 1ykn n GLY 119 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.09 5.28 0.36 1.61 1.01 -1.26 -4.77 120.40 120.54 1ykn s VAL 120 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 1ykn s VAL 120 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1ykn s VAL 120 CO 0.00 0.42 1.38 -2.84 0.00 0.00 0.00 175.10 174.06 1ykn s PRO 121 N 0.19 4.22 0.06 2.72 0.02 -1.26 -1.23 135.00 139.71 1ykn s PRO 121 Ca 0.18 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1ykn s PRO 121 Cb -0.13 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1ykn s PRO 121 CO 0.05 -0.35 0.18 -1.64 -0.33 0.00 0.00 177.00 174.90 1ykn s MET 122 N -1.96 3.31 0.77 5.54 -1.94 -0.17 -4.40 119.30 120.45 1ykn s MET 122 Ca 0.51 -0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 53.90 1ykn s MET 122 Cb -0.42 -2.97 0.06 0.00 2.01 0.00 0.00 34.83 33.50 1ykn s MET 122 CO 0.56 0.61 1.10 0.00 -0.01 0.00 0.00 175.02 177.28 1ykn s ALA 123 N -1.46 2.23 0.15 3.03 0.00 -1.26 -4.21 121.76 120.24 1ykn s ALA 123 Ca 0.33 0.31 -0.34 0.00 0.00 0.00 0.00 51.96 52.25 1ykn s ALA 123 Cb -0.13 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.56 1ykn s ALA 123 CO 0.26 -1.78 1.50 -2.30 0.00 0.00 0.00 175.76 173.44 1ykn n PRO 124 N -3.46 1.90 -3.96 0.00 -0.02 -1.26 -4.86 135.00 123.34 1ykn n PRO 124 Ca 0.09 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1ykn n PRO 124 Cb 0.53 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.71 0.36 -0.10 6.00 -3.43 -1.26 -4.35 115.29 113.23 1ykn s HIS 125 Ca 0.79 -0.78 0.03 0.00 -0.80 0.00 0.00 55.06 54.29 1ykn s HIS 125 Cb -0.74 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.25 1ykn s HIS 125 CO 0.41 -0.58 -0.18 0.42 -2.00 0.00 0.00 174.74 172.82 1ykn s ILE 126 N -3.93 2.65 -0.18 -5.38 1.01 -0.32 -4.58 121.20 110.47 1ykn s ILE 126 Ca 0.11 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 1ykn s ILE 126 Cb 0.05 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ykn s ILE 126 CO -0.06 0.55 0.65 0.20 0.00 0.00 0.00 174.94 176.28 1ykn s ASN 127 N 0.09 6.73 -0.09 3.58 0.01 0.13 -1.35 114.94 124.04 1ykn s ASN 127 Ca -0.08 0.88 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1ykn s ASN 127 Cb -0.15 -2.36 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ykn s ASN 127 CO 0.05 -0.26 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.59 1ykn s ILE 128 N 1.81 2.88 -0.21 0.60 1.01 -0.48 -1.41 121.20 125.39 1ykn s ILE 128 Ca 0.30 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1ykn s ILE 128 Cb -0.16 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1ykn s ILE 128 CO 0.11 0.56 0.01 -0.44 0.00 0.00 0.00 174.94 175.18 1ykn s SER 129 N -0.12 4.85 -0.11 3.58 0.01 0.33 -0.18 113.70 122.06 1ykn s SER 129 Ca -0.02 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1ykn s SER 129 Cb -0.14 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1ykn s SER 129 CO 0.04 0.04 0.05 -0.22 0.41 0.00 0.00 173.24 173.56 1ykn s LEU 130 N 1.14 3.84 0.01 2.44 2.96 -0.03 -1.10 118.68 127.93 1ykn s LEU 130 Ca 0.03 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1ykn s LEU 130 Cb -0.14 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1ykn s LEU 130 CO 0.02 0.35 -0.01 -0.36 -1.32 0.00 0.00 176.35 175.02 1ykn s PHE 131 N -0.70 0.13 0.01 5.38 0.40 -0.49 -2.05 117.98 120.65 1ykn s PHE 131 Ca 0.12 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 1ykn s PHE 131 Cb -0.12 -0.09 0.11 0.00 0.51 0.00 0.00 43.02 43.43 1ykn s PHE 131 CO 0.02 -0.09 1.25 0.00 0.70 0.00 0.00 175.22 177.11 1ykn s ALA 132 N -0.68 -2.22 0.28 5.36 0.00 -1.26 -1.61 121.76 121.62 1ykn s ALA 132 Ca -0.07 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1ykn s ALA 132 Cb -0.05 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1ykn s ALA 132 CO -0.00 -1.08 1.36 -0.98 0.00 0.00 0.00 175.76 175.05 1ykn s ARG 133 N -2.33 4.33 0.00 0.00 1.70 -1.26 -1.72 118.95 119.67 1ykn s ARG 133 Ca 0.19 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 57.68 1ykn s ARG 133 Cb 0.02 -3.10 0.00 0.00 -0.57 0.00 0.00 34.95 31.30 1ykn s ARG 133 CO -0.02 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 1ykn n GLY 134 N 1.50 1.34 3.24 3.88 0.00 -1.26 -4.98 105.19 108.91 1ykn n GLY 134 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 3.70 0.22 -0.61 1.01 -0.70 -4.97 121.20 117.47 1ykn s ILE 135 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1ykn s ILE 135 Cb 0.00 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 1ykn s ILE 135 CO 0.00 -0.29 1.53 0.78 0.00 0.00 0.00 174.94 176.96 1ykn h ASN 136 N 8.20 0.29 -3.57 3.58 2.35 -1.91 -3.34 115.58 121.18 1ykn h ASN 136 Ca -0.22 -0.17 -0.28 0.00 -0.55 0.00 0.00 56.30 55.08 1ykn h ASN 136 Cb 1.08 -0.08 -0.32 0.00 0.05 0.00 0.00 38.32 39.04 1ykn h ASN 136 CO 0.63 0.85 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.02 1ykn s ILE 137 N -3.69 -0.03 0.79 2.81 2.07 -1.26 -3.26 121.20 118.62 1ykn s ILE 137 Ca -0.04 0.16 -0.15 0.00 -1.41 0.00 0.00 60.65 59.21 1ykn s ILE 137 Cb 0.12 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.63 1ykn s ILE 137 CO 0.80 0.07 0.55 0.00 -1.91 0.00 0.00 174.94 174.46 1ykn n HIS 138 N 3.90 -0.79 -4.21 3.50 1.44 -1.26 -4.99 115.22 112.82 1ykn n HIS 138 Ca -0.24 0.32 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 1ykn n HIS 138 Cb 0.53 -1.90 -0.12 0.00 0.12 0.00 0.00 29.99 28.62 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 -0.87 3.33 -0.09 2.39 1.43 -0.87 -4.92 118.68 119.08 1ykn s LEU 139 Ca 0.64 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 1ykn s LEU 139 Cb -0.31 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1ykn s LEU 139 CO 0.60 0.13 0.33 -1.00 0.23 0.00 0.00 176.35 176.64 1ykn s HIS 140 N 0.63 3.59 0.31 0.29 3.76 -1.26 -0.85 115.29 121.76 1ykn s HIS 140 Ca -0.01 0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 55.65 1ykn s HIS 140 Cb -0.14 -2.29 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 1ykn s HIS 140 CO 0.02 0.45 0.40 -0.08 -0.85 0.00 0.00 174.74 174.68 1ykn s THR 141 N -0.30 0.00 0.03 1.30 -1.32 0.75 -1.80 115.64 114.29 1ykn s THR 141 Ca 0.20 -1.71 0.05 0.00 -1.21 0.00 0.00 61.69 59.02 1ykn s THR 141 Cb -0.14 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 1ykn s THR 141 CO 0.08 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.23 1ykn s ARG 142 N -3.36 0.94 -0.23 7.08 0.52 -1.26 -1.38 118.95 121.26 1ykn s ARG 142 Ca 0.33 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 1ykn s ARG 142 Cb 0.01 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.52 1ykn s ARG 142 CO 0.20 0.24 0.03 -1.17 0.02 0.00 0.00 175.30 174.61 1ykn s LEU 143 N -0.93 3.28 0.00 2.53 0.20 -0.45 -4.76 118.68 118.54 1ykn s LEU 143 Ca 0.02 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 54.65 1ykn s LEU 143 Cb -0.07 -1.86 0.05 0.00 -0.43 0.00 0.00 46.19 43.88 1ykn s LEU 143 CO 0.01 0.00 0.42 -1.22 -0.29 0.00 0.00 176.35 175.27 1ykn n TYR 144 N 4.67 -0.69 -4.80 5.38 4.02 0.56 -1.18 117.16 125.13 1ykn n TYR 144 Ca -0.17 -2.26 -0.29 0.00 -0.01 0.00 0.00 57.90 55.17 1ykn n TYR 144 Cb 0.51 -0.44 -0.14 0.00 -0.02 0.00 0.00 39.34 39.25 1ykn n TYR 144 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1ykn s PHE 145 N -2.65 2.25 -0.56 -0.72 0.40 -1.26 -0.91 117.98 114.53 1ykn s PHE 145 Ca 0.32 -0.40 0.26 0.00 -0.60 0.00 0.00 56.93 56.50 1ykn s PHE 145 Cb -0.03 -1.33 0.84 0.00 0.51 0.00 0.00 43.02 43.01 1ykn s PHE 145 CO 0.20 0.15 1.75 0.38 0.70 0.00 0.00 175.22 178.40 1ykn h ASP 146 N 4.68 0.00 -0.27 1.36 2.03 -1.80 -2.75 116.42 119.68 1ykn h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1ykn h ASP 146 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1ykn h ASP 146 CO 0.43 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.74 1ykn n ASP 147 N -2.43 1.48 -1.55 4.15 5.68 -1.26 -3.85 116.55 118.77 1ykn n ASP 147 Ca 0.04 -1.96 -0.13 0.00 -0.50 0.00 0.00 54.79 52.24 1ykn n ASP 147 Cb 0.38 -0.18 0.09 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.30 2.83 -0.15 0.11 -0.58 -1.04 -4.88 120.64 117.23 1ykn n GLU 148 Ca 0.10 -3.83 0.23 0.00 -0.42 0.00 0.00 57.16 53.24 1ykn n GLU 148 Cb 0.24 -2.01 0.64 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.77 2.54 0.09 0.62 0.00 -1.77 0.36 119.26 122.88 1ykn h ALA 149 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ykn h ALA 149 Cb 1.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ykn h ALA 149 CO 0.48 -0.77 -0.04 1.96 0.00 0.00 0.00 179.25 180.87 1ykn h GLN 150 N 0.14 -0.12 -0.00 0.00 4.20 -1.94 -2.68 115.11 114.70 1ykn h GLN 150 Ca 0.39 0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.95 1ykn h GLN 150 Cb 1.33 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1ykn h GLN 150 CO -0.06 0.28 -0.75 0.00 -0.67 0.00 0.00 178.83 177.63 1ykn h ALA 151 N 0.29 0.75 0.00 3.87 0.00 -1.86 -2.78 119.26 119.53 1ykn h ALA 151 Ca -0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1ykn h ALA 151 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ykn h ALA 151 CO 0.02 0.93 -0.08 -0.91 0.00 0.00 0.00 179.25 179.21 1ykn h ASN 152 N 0.01 0.00 1.20 0.00 2.35 -0.32 -2.50 115.58 116.31 1ykn h ASN 152 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1ykn h ASN 152 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1ykn h ASN 152 CO 0.10 0.08 -0.15 0.00 -1.65 0.00 0.00 177.43 175.81 1ykn n ALA 153 N -2.21 2.49 0.56 -0.83 0.00 -1.01 -2.82 120.51 116.70 1ykn n ALA 153 Ca -0.02 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1ykn n ALA 153 Cb 0.23 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1ykn n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ykn n LYS 154 N -2.03 1.24 -1.68 0.00 4.76 -0.97 -4.94 118.16 114.54 1ykn n LYS 154 Ca 0.05 -1.09 -0.43 0.00 -2.87 0.00 0.00 58.31 53.97 1ykn n LYS 154 Cb 0.41 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 1ykn n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykn n PRO 156 N 6.08 0.14 -0.10 0.00 -0.04 -1.26 -0.90 135.00 138.92 1ykn n PRO 156 Ca 0.19 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 1ykn n PRO 156 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 1ykn n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykn n VAL 157 N -1.41 1.57 -0.34 0.52 0.31 -1.26 -3.57 118.33 114.15 1ykn n VAL 157 Ca 0.08 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1ykn n VAL 157 Cb 0.24 -1.98 0.11 0.00 -0.91 0.00 0.00 33.84 31.31 1ykn n VAL 157 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ykn h LEU 158 N -0.85 0.99 0.00 7.52 4.07 -1.86 -0.87 115.31 124.31 1ykn h LEU 158 Ca -0.41 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1ykn h LEU 158 Cb 1.44 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ykn h LEU 158 CO -0.20 0.69 0.00 0.59 -1.08 0.00 0.00 178.44 178.44 1ykn n ASN 159 N -4.50 0.00 0.21 -0.43 3.02 -0.08 -2.33 115.26 111.16 1ykn n ASN 159 Ca 0.11 0.20 0.10 0.00 -0.03 0.00 0.00 54.58 54.97 1ykn n ASN 159 Cb 0.08 -0.33 0.32 0.00 -0.61 0.00 0.00 39.78 39.23 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 -8.85 3.41 3.38 -1.20 -3.42 115.31 108.63 1ykn h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ykn h LEU 160 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1ykn h LEU 160 CO 0.00 0.19 1.00 -0.63 0.09 0.00 0.00 178.44 179.09 1ykn s ILE 161 N -3.37 4.07 0.17 1.22 1.01 -0.98 -4.92 121.20 118.40 1ykn s ILE 161 Ca 0.03 1.15 -0.14 0.00 0.00 0.00 0.00 60.65 61.69 1ykn s ILE 161 Cb 0.08 -4.26 0.07 0.00 0.01 0.00 0.00 42.46 38.36 1ykn s ILE 161 CO 0.65 -0.68 1.75 -0.33 0.00 0.00 0.00 174.94 176.33 1ykn h GLU 162 N 9.80 0.31 -5.38 2.79 5.08 -1.88 -3.42 114.58 121.88 1ykn h GLU 162 Ca -0.26 -0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.48 1ykn h GLU 162 Cb 1.09 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 1ykn h GLU 162 CO 1.07 0.20 -0.24 -0.65 -1.00 0.00 0.00 179.01 178.39 1ykn s GLN 163 N -6.14 4.16 0.27 2.33 -1.52 -1.26 -4.99 119.66 112.51 1ykn s GLN 163 Ca -0.13 0.14 0.01 0.00 -1.95 0.00 0.00 55.36 53.43 1ykn s GLN 163 Cb 0.14 -3.54 0.57 0.00 -0.22 0.00 0.00 33.01 29.96 1ykn s GLN 163 CO 0.72 -0.02 1.79 -1.35 -0.25 0.00 0.00 175.29 176.18 1ykn h PRO 164 N 7.38 0.76 0.00 2.91 0.11 -1.99 -2.35 132.00 138.82 1ykn h PRO 164 Ca -0.36 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1ykn h PRO 164 Cb 1.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ykn h PRO 164 CO 0.71 0.50 -0.10 1.96 -0.21 0.00 0.00 178.00 180.86 1ykn h GLN 165 N 0.78 0.00 -0.01 1.05 7.50 -1.97 -2.08 115.11 120.39 1ykn h GLN 165 Ca 0.49 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.46 1ykn h GLN 165 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 1ykn h GLN 165 CO -0.32 0.10 -0.80 0.00 -1.50 0.00 0.00 178.83 176.30 1ykn h ARG 166 N 0.00 0.14 -0.15 1.46 3.08 -1.83 -3.24 114.38 113.85 1ykn h ARG 166 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1ykn h ARG 166 Cb 0.28 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ykn h ARG 166 CO 0.01 0.87 -0.15 0.00 -1.07 0.00 0.00 179.97 179.63 1ykn h ARG 167 N 0.08 0.24 -0.05 0.04 3.08 -1.37 -1.21 114.38 115.19 1ykn h ARG 167 Ca -0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1ykn h ARG 167 Cb 1.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1ykn h ARG 167 CO 0.12 0.39 -0.16 0.93 -1.07 0.00 0.00 179.97 180.18 1ykn h GLU 168 N 0.23 0.07 0.00 0.04 5.08 -1.56 -1.85 114.58 116.59 1ykn h GLU 168 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ykn h GLU 168 Cb 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ykn h GLU 168 CO 0.02 0.24 0.00 0.25 -1.00 0.00 0.00 179.01 178.52 1ykn n THR 169 N -4.31 0.88 0.88 1.13 -2.24 -0.46 -2.05 114.28 108.12 1ykn n THR 169 Ca -0.02 0.39 0.11 0.00 -2.27 0.00 0.00 64.05 62.27 1ykn n THR 169 Cb 0.25 -1.35 0.30 0.00 -2.10 0.00 0.00 70.33 67.42 1ykn n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ykn n LEU 170 N -2.28 2.43 -4.28 3.22 4.77 -0.69 -4.76 117.00 115.41 1ykn n LEU 170 Ca 0.01 -1.01 -0.38 0.00 -0.03 0.00 0.00 56.01 54.60 1ykn n LEU 170 Cb 0.17 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 1ykn n LEU 170 CO 0.17 0.50 -0.22 -0.63 -1.33 0.00 0.00 177.39 175.88 1ykn s ILE 171 N -1.71 3.90 0.31 -0.08 1.01 -0.87 -0.32 121.20 123.45 1ykn s ILE 171 Ca 0.35 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1ykn s ILE 171 Cb 0.20 -3.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 1ykn s ILE 171 CO 0.29 -0.26 1.16 0.00 0.00 0.00 0.00 174.94 176.13 1ykn s ALA 172 N 1.41 3.40 -0.32 9.38 0.00 -0.08 -4.84 121.76 130.70 1ykn s ALA 172 Ca -0.00 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 1ykn s ALA 172 Cb -0.20 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ykn s ALA 172 CO 0.03 -0.34 0.69 0.15 0.00 0.00 0.00 175.76 176.29 1ykn s LYS 173 N -1.66 3.86 0.25 0.00 -0.14 -0.53 -2.40 119.74 119.11 1ykn s LYS 173 Ca 0.47 0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 55.11 1ykn s LYS 173 Cb -0.34 -3.75 -0.11 0.00 -1.68 0.00 0.00 37.83 31.95 1ykn s LYS 173 CO 0.44 -0.67 1.53 0.50 -0.76 0.00 0.00 175.35 176.39 1ykn s ARG 174 N 2.78 4.20 0.01 1.68 3.52 -1.26 -0.39 118.95 129.49 1ykn s ARG 174 Ca 0.28 2.42 -0.00 0.00 -0.13 0.00 0.00 55.73 58.30 1ykn s ARG 174 Cb -0.14 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1ykn s ARG 174 CO 0.13 -0.54 0.01 0.00 -0.81 0.00 0.00 175.30 174.09 1ykn s GLU 176 N -2.02 0.74 -0.26 0.00 2.02 -1.26 -2.06 118.70 115.85 1ykn s GLU 176 Ca 0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1ykn s GLU 176 Cb -0.00 -0.75 0.08 0.00 0.10 0.00 0.00 34.13 33.56 1ykn s GLU 176 CO 0.01 -0.04 0.04 0.08 0.02 0.00 0.00 175.26 175.36 1ykn s VAL 177 N 0.72 1.01 -0.99 2.63 1.01 -0.21 -4.85 120.40 119.73 1ykn s VAL 177 Ca -0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 1ykn s VAL 177 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1ykn s VAL 177 CO 0.00 -0.40 0.83 0.47 0.00 0.00 0.00 175.10 176.01 1ykn n ASP 178 N 4.83 -2.96 0.00 3.32 8.00 -1.26 -1.70 116.55 126.78 1ykn n ASP 178 Ca -0.06 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1ykn n ASP 178 Cb 0.44 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 -1.26 0.12 3.68 0.44 0.00 -1.26 -4.96 105.19 101.94 1ykn n GLY 179 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.45 4.09 0.17 1.61 2.47 -0.69 -5.08 119.74 120.86 1ykn s LYS 180 Ca 0.00 -0.27 -0.32 0.00 -1.56 0.00 0.00 55.97 53.82 1ykn s LYS 180 Cb 0.00 -3.36 -0.12 0.00 -1.46 0.00 0.00 37.83 32.89 1ykn s LYS 180 CO 0.00 0.25 1.77 2.41 0.16 0.00 0.00 175.35 179.94 1ykn n THR 181 N 3.65 0.16 -4.15 3.43 -1.04 -1.26 -1.04 114.28 114.02 1ykn n THR 181 Ca -0.16 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.72 1ykn n THR 181 Cb 0.52 -2.03 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 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 1.86 0.86 0.01 2.41 0.00 -0.88 -1.79 121.76 124.23 1ykn s ALA 182 Ca 0.78 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1ykn s ALA 182 Cb -0.50 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1ykn s ALA 182 CO 0.35 -0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.45 1ykn s TYR 183 N -3.73 0.73 -0.09 0.00 1.51 0.21 -1.25 117.35 114.73 1ykn s TYR 183 Ca 0.12 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1ykn s TYR 183 Cb 0.06 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.43 1ykn s TYR 183 CO -0.06 -0.02 -0.04 0.50 -1.11 0.00 0.00 175.55 174.83 1ykn s ARG 184 N -0.60 3.04 -0.17 -0.62 3.52 0.47 -2.11 118.95 122.49 1ykn s ARG 184 Ca -0.00 -0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1ykn s ARG 184 Cb -0.05 -2.74 0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1ykn s ARG 184 CO 0.00 0.59 0.08 0.12 -0.81 0.00 0.00 175.30 175.28 1ykn s PHE 185 N -0.58 0.29 0.04 5.12 5.36 0.82 -1.45 117.98 127.58 1ykn s PHE 185 Ca 0.09 -0.37 -0.00 0.00 -0.96 0.00 0.00 56.93 55.69 1ykn s PHE 185 Cb -0.12 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.79 1ykn s PHE 185 CO 0.02 -0.52 0.18 -0.51 -1.46 0.00 0.00 175.22 172.93 1ykn s ASP 186 N 2.11 6.23 -0.11 6.13 1.01 -1.26 -3.92 116.67 126.86 1ykn s ASP 186 Ca 0.02 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1ykn s ASP 186 Cb -0.16 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1ykn s ASP 186 CO -0.09 0.20 -0.18 -0.63 0.21 0.00 0.00 175.17 174.68 1ykn s ILE 187 N -1.42 2.57 -0.28 0.77 1.01 -0.07 -4.91 121.20 118.87 1ykn s ILE 187 Ca 0.31 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1ykn s ILE 187 Cb -0.13 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1ykn s ILE 187 CO 0.24 0.54 -0.01 -0.13 0.00 0.00 0.00 174.94 175.58 1ykn s ARG 188 N 0.30 2.71 0.26 2.79 0.52 -1.26 -1.02 118.95 123.25 1ykn s ARG 188 Ca -0.14 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.05 1ykn s ARG 188 Cb -0.17 -3.13 0.35 0.00 0.52 0.00 0.00 34.95 32.52 1ykn s ARG 188 CO 0.07 -0.50 1.63 0.82 0.02 0.00 0.00 175.30 177.34 1ykn h ILE 189 N 6.22 1.34 -2.59 1.52 2.04 -1.63 0.11 117.51 124.52 1ykn h ILE 189 Ca -0.28 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 63.75 1ykn h ILE 189 Cb 1.09 1.82 -0.21 0.00 -0.74 0.00 0.00 36.82 38.78 1ykn h ILE 189 CO 0.56 0.52 -0.11 -1.58 0.00 0.00 0.00 178.15 177.54 1ykn s GLN 190 N -3.97 0.72 0.84 2.37 0.74 -1.26 -4.78 119.66 114.32 1ykn s GLN 190 Ca -0.04 0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1ykn s GLN 190 Cb 0.13 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.57 1ykn s GLN 190 CO 0.79 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.77 1ykn n GLY 191 N 1.85 -0.41 3.64 2.59 0.00 -1.26 -4.27 105.19 107.33 1ykn n GLY 191 Ca -0.18 -1.64 -0.52 0.00 0.00 0.00 0.00 46.02 43.68 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 1.43 -1.16 1.61 2.13 -1.26 -1.28 120.64 122.11 1ykn n GLU 192 Ca 0.00 0.52 -0.06 0.00 0.66 0.00 0.00 57.16 58.28 1ykn n GLU 192 Cb 0.00 -2.22 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 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 3.26 0.80 3.64 8.31 0.00 -1.26 -4.91 105.19 115.03 1ykn n GLY 193 Ca 0.20 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.43 1.74 -2.00 1.61 2.13 -0.40 -4.62 120.64 116.66 1ykn n GLU 194 Ca -0.06 0.63 -0.40 0.00 0.66 0.00 0.00 57.16 57.99 1ykn n GLU 194 Cb 0.24 -2.35 -0.01 0.00 0.27 0.00 0.00 31.44 29.59 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 0.97 2.50 0.17 6.31 2.01 0.37 -4.94 115.64 123.03 1ykn s THR 195 Ca 0.82 0.47 -0.31 0.00 0.31 0.00 0.00 61.69 62.99 1ykn s THR 195 Cb -0.80 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 1ykn s THR 195 CO 0.43 0.09 1.38 -0.69 -0.69 0.00 0.00 174.62 175.14 1ykn s VAL 196 N -1.19 3.12 0.06 3.82 1.01 -1.26 -4.95 120.40 121.00 1ykn s VAL 196 Ca 0.54 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.47 1ykn s VAL 196 Cb -0.41 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1ykn s VAL 196 CO 0.54 0.10 -0.26 -0.36 0.00 0.00 0.00 175.10 175.12 1ykn s PHE 197 N 0.57 2.34 0.34 5.22 0.08 -1.26 -4.68 117.98 120.58 1ykn s PHE 197 Ca 0.61 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.34 1ykn s PHE 197 Cb -0.38 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1ykn s PHE 197 CO 0.35 0.17 0.35 -0.06 -0.10 0.00 0.00 175.22 175.94 1ykn s PHE 198 N -0.85 2.95 -0.04 0.36 0.08 -0.75 -4.99 117.98 114.74 1ykn s PHE 198 Ca 0.12 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.89 1ykn s PHE 198 Cb -0.10 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1ykn s PHE 198 CO 0.03 0.10 -0.05 0.34 -0.10 0.00 0.00 175.22 175.54 1ykn s ASP 199 N -4.06 0.89 0.00 1.36 3.68 -1.26 -4.32 116.67 112.96 1ykn s ASP 199 Ca 0.43 -0.12 0.00 0.00 2.13 0.00 0.00 52.55 54.98 1ykn s ASP 199 Cb -0.07 -0.41 0.00 0.00 -1.45 0.00 0.00 42.92 40.99 1ykn s ASP 199 CO 0.28 -0.04 0.00 2.22 0.13 0.00 0.00 175.17 177.76