#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 5.08 -0.17 4.25 -1.09 -1.26 -5.03 121.20 122.98 1ykn s ILE 2 Ca 0.00 1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 59.44 1ykn s ILE 2 Cb 0.00 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1ykn s ILE 2 CO 0.00 0.18 0.02 -1.61 -1.23 0.00 0.00 174.94 172.30 1ykn s GLU 3 N 1.51 3.84 0.59 2.79 0.41 -1.26 -5.13 118.70 121.44 1ykn s GLU 3 Ca 0.27 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 1ykn s GLU 3 Cb -0.16 -3.08 0.12 0.00 -1.78 0.00 0.00 34.13 29.23 1ykn s GLU 3 CO 0.11 0.27 0.81 1.28 -0.49 0.00 0.00 175.26 177.23 1ykn n LEU 4 N 3.50 0.00 -4.77 1.80 4.32 -1.26 -5.06 117.00 115.53 1ykn n LEU 4 Ca -0.17 -1.72 -0.40 0.00 -0.02 0.00 0.00 56.01 53.70 1ykn n LEU 4 Cb 0.52 -0.52 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1ykn n LEU 4 CO 0.34 -0.89 1.01 -0.76 -1.22 0.00 0.00 177.39 175.88 1ykn s LEU 5 N 0.00 4.27 0.42 2.23 1.43 -1.26 -4.99 118.68 120.78 1ykn s LEU 5 Ca 0.54 2.78 -0.24 0.00 -1.03 0.00 0.00 54.13 56.18 1ykn s LEU 5 Cb -0.03 -3.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.31 1ykn s LEU 5 CO 0.36 -0.82 1.09 -2.84 0.23 0.00 0.00 176.35 174.37 1ykn s PRO 6 N -2.13 4.02 0.42 1.29 0.02 -1.26 -5.02 135.00 132.34 1ykn s PRO 6 Ca 0.55 1.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.92 1ykn s PRO 6 Cb -0.41 -2.49 -0.08 0.00 0.02 0.00 0.00 34.50 31.54 1ykn s PRO 6 CO 0.54 -0.29 1.21 -2.00 -0.33 0.00 0.00 177.00 176.13 1ykn s GLU 7 N -2.57 3.95 0.11 5.54 2.12 -1.26 -4.95 118.70 121.64 1ykn s GLU 7 Ca 0.60 1.93 -0.33 0.00 0.36 0.00 0.00 54.97 57.53 1ykn s GLU 7 Cb -0.24 -2.65 -0.13 0.00 0.26 0.00 0.00 34.13 31.37 1ykn s GLU 7 CO 0.30 -0.43 1.69 2.41 -0.54 0.00 0.00 175.26 178.69 1ykn n THR 8 N -0.03 0.17 -2.08 -1.70 -1.04 -1.26 -4.92 114.28 103.42 1ykn n THR 8 Ca 0.05 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.68 1ykn n THR 8 Cb 0.46 -1.73 0.02 0.00 -1.82 0.00 0.00 70.33 67.25 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 1.81 3.12 0.65 -2.82 0.01 -1.26 -5.02 135.00 131.49 1ykn s PRO 9 Ca 0.82 1.60 -0.16 0.00 0.01 0.00 0.00 61.00 63.27 1ykn s PRO 9 Cb -0.63 -1.97 -0.01 0.00 0.01 0.00 0.00 34.50 31.90 1ykn s PRO 9 CO 0.40 -1.03 1.14 0.45 0.01 0.00 0.00 177.00 177.97 1ykn s SER 10 N -1.93 5.04 0.09 2.53 0.15 -1.26 -5.09 113.70 113.23 1ykn s SER 10 Ca 0.72 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1ykn s SER 10 Cb -0.24 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 1ykn s SER 10 CO 0.32 -1.68 -0.03 -1.10 1.20 0.00 0.00 173.24 171.95 1ykn s GLN 11 N -3.84 0.77 0.62 5.44 -1.52 -1.22 -4.93 119.66 114.99 1ykn s GLN 11 Ca 0.70 -1.32 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1ykn s GLN 11 Cb -0.24 0.04 -0.02 0.00 -0.22 0.00 0.00 33.01 32.57 1ykn s GLN 11 CO 0.39 -0.10 1.23 -0.08 -0.25 0.00 0.00 175.29 176.48 1ykn s THR 12 N -3.82 2.45 -0.63 -0.19 -1.32 -1.23 -4.79 115.64 106.10 1ykn s THR 12 Ca 0.12 0.27 0.25 0.00 -1.21 0.00 0.00 61.69 61.13 1ykn s THR 12 Cb 0.07 -3.08 0.27 0.00 -1.51 0.00 0.00 72.50 68.24 1ykn s THR 12 CO -0.05 -0.07 1.75 0.00 -2.21 0.00 0.00 174.62 174.04 1ykn n ALA 13 N -1.77 2.00 -0.68 11.08 0.00 -1.26 -4.99 120.51 124.88 1ykn n ALA 13 Ca 0.14 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1ykn n ALA 13 Cb 0.49 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 1ykn n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykn n GLY 14 N 0.71 -2.50 0.28 0.00 0.00 -1.26 -4.08 105.19 98.33 1ykn n GLY 14 Ca 0.04 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.66 0.00 -0.29 1.61 0.13 -1.93 -2.96 132.00 127.91 1ykn h PRO 15 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1ykn h PRO 15 Cb 0.64 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.69 1ykn h PRO 15 CO 0.03 0.02 -0.11 0.66 -0.23 0.00 0.00 178.00 178.37 1ykn n TYR 16 N -4.08 0.91 -0.33 1.56 4.01 -1.26 -4.72 117.16 113.25 1ykn n TYR 16 Ca -0.03 -1.47 0.22 0.00 -0.16 0.00 0.00 57.90 56.46 1ykn n TYR 16 Cb 0.10 -0.43 0.49 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.05 0.52 -0.59 -0.72 3.04 -1.66 0.47 116.25 118.37 1ykn h VAL 17 Ca 0.16 -0.14 0.17 0.00 -1.01 0.00 0.00 66.70 65.88 1ykn h VAL 17 Cb 1.54 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 1ykn h VAL 17 CO 0.31 0.08 0.51 0.45 -1.01 0.00 0.00 177.57 177.91 1ykn h HIS 18 N 0.41 0.00 0.00 3.17 3.86 -1.86 0.23 115.15 120.97 1ykn h HIS 18 Ca 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.81 1ykn h HIS 18 Cb 1.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.95 1ykn h HIS 18 CO -0.00 0.00 0.00 -0.84 0.86 0.00 0.00 177.93 177.95 1ykn h ILE 19 N 0.00 0.00 0.00 2.45 3.07 -0.28 0.02 117.51 122.77 1ykn h ILE 19 Ca 0.28 -0.58 -0.11 0.00 1.55 0.00 0.00 64.86 66.00 1ykn h ILE 19 Cb 1.30 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 39.36 1ykn h ILE 19 CO -0.00 0.00 -1.79 0.61 -1.05 0.00 0.00 178.15 175.91 1ykn n GLY 20 N 0.57 -0.68 0.00 0.16 0.00 0.21 -4.57 105.19 100.88 1ykn n GLY 20 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.23 0.70 -2.89 0.99 4.77 0.58 -4.85 117.00 114.06 1ykn n LEU 21 Ca -0.11 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 54.95 1ykn n LEU 21 Cb 0.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1ykn n LEU 21 CO 0.30 0.17 0.08 0.00 -1.33 0.00 0.00 177.39 176.61 1ykn n ALA 22 N -0.19 -0.04 -0.16 -1.18 0.00 -0.02 -4.96 120.51 113.97 1ykn n ALA 22 Ca 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 53.44 51.31 1ykn n ALA 22 Cb 0.02 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 3.64 -0.87 0.46 0.00 4.07 -1.79 -1.10 115.31 119.72 1ykn h LEU 23 Ca -0.06 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1ykn h LEU 23 Cb 1.01 0.46 -0.02 0.00 1.08 0.00 0.00 40.66 43.19 1ykn h LEU 23 CO 0.33 -0.27 -0.44 -0.08 -1.08 0.00 0.00 178.44 176.90 1ykn h GLU 24 N -0.14 -0.86 0.00 1.13 4.81 -1.88 -1.62 114.58 116.01 1ykn h GLU 24 Ca 0.22 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1ykn h GLU 24 Cb 0.50 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ykn h GLU 24 CO -0.58 -0.57 0.34 0.00 -0.73 0.00 0.00 179.01 177.47 1ykn h ALA 25 N -1.05 1.33 -0.01 2.92 0.00 -1.85 2.53 119.26 123.13 1ykn h ALA 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ykn h ALA 25 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ykn h ALA 25 CO -0.04 -0.33 -0.13 0.00 0.00 0.00 0.00 179.25 178.75 1ykn n ALA 26 N -1.84 2.82 -2.30 0.00 0.00 -0.44 -4.94 120.51 113.81 1ykn n ALA 26 Ca -0.02 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1ykn n ALA 26 Cb 0.38 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 1.26 -0.28 3.80 0.00 0.00 0.85 -5.01 105.19 105.81 1ykn n GLY 27 Ca 0.15 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.30 5.22 0.40 1.61 0.01 -0.65 -5.03 114.94 114.21 1ykn s ASN 28 Ca 0.00 -0.43 -0.26 0.00 -0.71 0.00 0.00 52.86 51.47 1ykn s ASN 28 Cb -0.00 -1.13 -0.08 0.00 0.41 0.00 0.00 41.25 40.44 1ykn s ASN 28 CO 0.00 -0.14 1.22 -2.16 -1.51 0.00 0.00 177.10 174.51 1ykn s PRO 29 N -3.86 4.03 0.62 -0.60 0.04 -1.26 -4.08 135.00 129.89 1ykn s PRO 29 Ca 0.35 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 1ykn s PRO 29 Cb -0.07 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.79 1ykn s PRO 29 CO 0.24 -0.38 0.93 0.95 0.04 0.00 0.00 177.00 178.78 1ykn s THR 30 N -1.35 3.15 0.63 1.26 -4.23 -1.26 -4.83 115.64 109.01 1ykn s THR 30 Ca 0.57 -0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1ykn s THR 30 Cb -0.34 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.30 1ykn s THR 30 CO 0.43 -0.28 0.88 -0.13 -0.54 0.00 0.00 174.62 174.97 1ykn s ARG 31 N -5.05 2.20 0.22 3.99 0.52 -1.26 -5.02 118.95 114.54 1ykn s ARG 31 Ca 0.56 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 1ykn s ARG 31 Cb -0.11 -2.40 0.24 0.00 0.52 0.00 0.00 34.95 33.20 1ykn s ARG 31 CO 0.44 -1.03 1.84 -0.44 0.02 0.00 0.00 175.30 176.14 1ykn h ASP 32 N -0.21 0.74 -3.32 0.23 3.32 -2.07 -3.39 116.42 111.71 1ykn h ASP 32 Ca -0.40 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 55.99 1ykn h ASP 32 Cb 1.29 -0.15 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 1ykn h ASP 32 CO 0.49 0.49 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.56 1ykn s GLN 33 N -6.10 2.68 0.09 3.56 -0.21 -1.26 -5.12 119.66 113.30 1ykn s GLN 33 Ca -0.13 -0.97 0.09 0.00 0.02 0.00 0.00 55.36 54.38 1ykn s GLN 33 Cb 0.16 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 1ykn s GLN 33 CO 0.77 -0.33 -0.24 -1.21 -2.12 0.00 0.00 175.29 172.16 1ykn s GLU 34 N 1.25 1.40 -0.30 2.91 0.41 -1.26 -5.11 118.70 118.00 1ykn s GLU 34 Ca 0.01 -1.19 -0.19 0.00 -0.41 0.00 0.00 54.97 53.18 1ykn s GLU 34 Cb -0.15 -1.72 -0.01 0.00 -1.78 0.00 0.00 34.13 30.47 1ykn s GLU 34 CO -0.10 0.42 0.59 0.42 -0.49 0.00 0.00 175.26 176.09 1ykn s ILE 35 N -1.00 4.98 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.29 1ykn s ILE 35 Ca 0.11 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1ykn s ILE 35 Cb -0.10 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ykn s ILE 35 CO 0.04 -0.10 0.00 1.87 0.00 0.00 0.00 174.94 176.75 1ykn n TRP 36 N 5.79 0.00 -0.35 3.97 -0.00 -1.26 -4.65 117.44 120.94 1ykn n TRP 36 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.55 1ykn n TRP 36 Cb 0.49 0.00 0.31 0.00 -0.00 0.00 0.00 31.31 32.11 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 4.34 -4.00 5.87 6.94 -1.07 -1.79 115.26 125.56 1ykn n ASN 37 Ca 0.00 -2.50 -0.31 0.00 -0.02 0.00 0.00 54.58 51.75 1ykn n ASN 37 Cb 0.00 -0.57 -0.14 0.00 -2.36 0.00 0.00 39.78 36.71 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 -2.01 1.89 0.11 -3.83 3.52 -1.26 -0.86 118.95 116.50 1ykn s ARG 38 Ca 0.44 -2.34 -0.10 0.00 -0.13 0.00 0.00 55.73 53.60 1ykn s ARG 38 Cb 0.30 -3.35 -0.15 0.00 -1.56 0.00 0.00 34.95 30.19 1ykn s ARG 38 CO 0.18 -1.06 1.27 -0.07 -0.81 0.00 0.00 175.30 174.82 1ykn h LEU 39 N 7.00 0.80 -8.61 -0.88 4.07 -1.03 -3.44 115.31 113.20 1ykn h LEU 39 Ca -0.06 -0.59 -0.65 0.00 0.08 0.00 0.00 57.88 56.65 1ykn h LEU 39 Cb 0.95 -0.24 -0.26 0.00 1.08 0.00 0.00 40.66 42.18 1ykn h LEU 39 CO 0.64 1.39 -0.75 0.00 -1.08 0.00 0.00 178.44 178.64 1ykn s ALA 40 N -3.47 2.67 0.74 1.53 0.00 -1.21 -0.79 121.76 121.24 1ykn s ALA 40 Ca -0.09 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1ykn s ALA 40 Cb 0.08 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1ykn s ALA 40 CO 0.90 0.18 1.11 0.15 0.00 0.00 0.00 175.76 178.10 1ykn s LYS 41 N 0.46 2.36 0.58 0.00 1.02 0.23 -4.81 119.74 119.58 1ykn s LYS 41 Ca -0.09 1.34 0.28 0.00 0.02 0.00 0.00 55.97 57.52 1ykn s LYS 41 Cb -0.16 -1.90 1.53 0.00 -0.52 0.00 0.00 37.83 36.78 1ykn s LYS 41 CO 0.04 -1.59 2.00 -1.35 -0.92 0.00 0.00 175.35 173.53 1ykn h PRO 42 N -0.66 0.00 -0.36 -1.68 0.11 -2.00 -2.05 132.00 125.36 1ykn h PRO 42 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ykn h PRO 42 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ykn h PRO 42 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 1ykn n ASP 43 N -3.90 2.79 -4.77 -2.05 5.75 -1.26 -4.96 116.55 108.16 1ykn n ASP 43 Ca 0.06 -1.91 -0.38 0.00 -0.01 0.00 0.00 54.79 52.55 1ykn n ASP 43 Cb 0.52 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.53 3.01 0.37 2.12 0.00 -0.77 -5.01 121.76 119.95 1ykn s ALA 44 Ca 0.36 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1ykn s ALA 44 Cb 0.20 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1ykn s ALA 44 CO 0.28 -0.74 1.38 -1.25 0.00 0.00 0.00 175.76 175.43 1ykn s PRO 45 N -2.61 4.14 0.00 0.00 0.04 -1.26 -4.93 135.00 130.38 1ykn s PRO 45 Ca 0.63 2.34 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1ykn s PRO 45 Cb -0.31 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ykn s PRO 45 CO 0.38 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1ykn n GLY 46 N 0.64 1.59 3.60 0.56 0.00 -1.26 -4.61 105.19 105.71 1ykn n GLY 46 Ca 0.01 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.44 3.74 0.27 1.61 2.12 -1.26 -4.96 118.70 118.78 1ykn s GLU 47 Ca 0.00 0.54 -0.30 0.00 0.36 0.00 0.00 54.97 55.58 1ykn s GLU 47 Cb 0.00 -3.87 -0.09 0.00 0.26 0.00 0.00 34.13 30.42 1ykn s GLU 47 CO 0.00 -1.22 1.10 -1.01 -0.54 0.00 0.00 175.26 173.59 1ykn s HIS 48 N 4.05 3.58 0.04 5.30 3.76 -1.26 -1.98 115.29 128.78 1ykn s HIS 48 Ca 0.44 1.68 -0.04 0.00 -0.15 0.00 0.00 55.06 56.99 1ykn s HIS 48 Cb -0.09 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.29 1ykn s HIS 48 CO 0.27 -0.57 0.05 0.96 -0.85 0.00 0.00 174.74 174.60 1ykn s ILE 49 N -1.04 0.15 -0.14 0.60 -4.36 0.14 -4.67 121.20 111.89 1ykn s ILE 49 Ca 0.45 -1.27 -0.06 0.00 -0.26 0.00 0.00 60.65 59.51 1ykn s ILE 49 Cb -0.32 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 1ykn s ILE 49 CO 0.40 -0.70 0.07 -0.22 0.24 0.00 0.00 174.94 174.74 1ykn s LEU 50 N -2.30 3.96 -0.07 0.37 2.96 0.74 -2.42 118.68 121.92 1ykn s LEU 50 Ca -0.03 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1ykn s LEU 50 Cb 0.01 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1ykn s LEU 50 CO -0.06 0.31 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.36 1ykn s LEU 51 N -0.43 2.63 0.07 -0.68 1.43 -0.03 -0.70 118.68 120.97 1ykn s LEU 51 Ca 0.10 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1ykn s LEU 51 Cb -0.12 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1ykn s LEU 51 CO 0.02 0.28 0.17 -1.48 0.23 0.00 0.00 176.35 175.57 1ykn s LEU 52 N -0.34 1.51 -0.05 1.79 -0.00 -0.23 -1.83 118.68 119.53 1ykn s LEU 52 Ca 0.03 -0.58 -0.31 0.00 -0.00 0.00 0.00 54.13 53.27 1ykn s LEU 52 Cb -0.13 0.92 0.12 0.00 -0.00 0.00 0.00 46.19 47.11 1ykn s LEU 52 CO 0.02 -0.65 1.27 -0.83 -0.00 0.00 0.00 176.35 176.17 1ykn s GLY 53 N -2.56 -0.39 0.48 -3.48 0.00 -1.06 -0.73 107.32 99.58 1ykn s GLY 53 Ca 0.01 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.67 1ykn s GLY 53 CO -0.08 0.21 0.11 1.20 0.00 0.00 0.00 173.10 174.54 1ykn s GLN 54 N -2.43 2.17 -0.03 2.90 -0.21 -1.26 -0.93 119.66 119.88 1ykn s GLN 54 Ca 0.13 -2.17 0.01 0.00 0.02 0.00 0.00 55.36 53.35 1ykn s GLN 54 Cb 0.04 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.32 1ykn s GLN 54 CO -0.04 -0.31 -0.04 0.08 -2.12 0.00 0.00 175.29 172.87 1ykn s VAL 55 N -2.78 0.39 0.12 1.09 1.01 -1.26 -1.46 120.40 117.51 1ykn s VAL 55 Ca 0.23 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.21 1ykn s VAL 55 Cb 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1ykn s VAL 55 CO 0.13 0.16 -0.25 -0.31 0.00 0.00 0.00 175.10 174.83 1ykn s TYR 56 N 0.57 2.35 0.30 5.22 1.51 0.57 0.04 117.35 127.91 1ykn s TYR 56 Ca -0.07 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1ykn s TYR 56 Cb -0.10 -1.28 0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1ykn s TYR 56 CO -0.00 0.32 0.41 -0.40 -1.11 0.00 0.00 175.55 174.77 1ykn n ASP 57 N 1.00 0.81 0.00 2.29 5.68 -0.54 -1.84 116.55 123.96 1ykn n ASP 57 Ca -0.17 -1.63 0.05 0.00 -0.50 0.00 0.00 54.79 52.54 1ykn n ASP 57 Cb 0.53 -0.24 0.27 0.00 -1.14 0.00 0.00 41.12 40.54 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 1.62 -0.66 0.68 6.12 0.00 -1.26 -2.17 105.19 109.51 1ykn n GLY 58 Ca 0.08 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.30 3.20 0.00 1.61 3.02 -1.26 -4.79 115.26 115.74 1ykn n ASN 59 Ca 0.05 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1ykn n ASN 59 Cb 0.09 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 0.03 1.45 3.80 7.41 0.00 -0.92 -5.02 105.19 111.93 1ykn n GLY 60 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.36 3.59 0.25 1.61 3.76 -1.26 -4.78 115.29 115.09 1ykn s HIS 61 Ca 0.00 1.64 -0.30 0.00 -0.15 0.00 0.00 55.06 56.25 1ykn s HIS 61 Cb 0.00 -2.83 -0.09 0.00 1.11 0.00 0.00 32.58 30.77 1ykn s HIS 61 CO 0.00 0.16 1.31 -0.51 -0.85 0.00 0.00 174.74 174.85 1ykn s LEU 62 N -2.33 4.43 -0.36 0.89 1.43 -1.26 -1.47 118.68 120.01 1ykn s LEU 62 Ca 0.51 2.51 -0.22 0.00 -1.03 0.00 0.00 54.13 55.91 1ykn s LEU 62 Cb -0.16 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1ykn s LEU 62 CO 0.21 -0.52 0.70 -0.69 0.23 0.00 0.00 176.35 176.28 1ykn s VAL 63 N -0.39 4.82 -1.78 -1.59 1.01 0.11 -4.83 120.40 117.74 1ykn s VAL 63 Ca 0.54 0.72 0.20 0.00 0.00 0.00 0.00 61.98 63.44 1ykn s VAL 63 Cb -0.38 -4.14 0.54 0.00 0.00 0.00 0.00 36.38 32.40 1ykn s VAL 63 CO 0.43 -0.37 1.45 0.54 0.00 0.00 0.00 175.10 177.16 1ykn n ARG 64 N 6.21 2.70 -0.75 2.72 1.74 -1.26 -4.30 116.66 123.72 1ykn n ARG 64 Ca 0.01 -2.47 0.05 0.00 -0.77 0.00 0.00 57.85 54.67 1ykn n ARG 64 Cb 0.48 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.37 1.29 -4.86 0.55 5.68 -1.25 -3.29 116.55 116.05 1ykn n ASP 65 Ca 0.21 -2.80 -0.31 0.00 -0.50 0.00 0.00 54.79 51.38 1ykn n ASP 65 Cb 0.57 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 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 -2.36 6.57 0.01 -1.12 1.04 -1.25 -4.53 113.70 112.06 1ykn s SER 66 Ca 0.28 1.37 0.07 0.00 0.48 0.00 0.00 55.95 58.16 1ykn s SER 66 Cb 0.29 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1ykn s SER 66 CO -0.07 -0.51 -0.22 0.12 0.98 0.00 0.00 173.24 173.54 1ykn s PHE 67 N -2.53 1.92 0.02 5.02 5.36 0.30 -2.92 117.98 125.16 1ykn s PHE 67 Ca 0.55 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 1ykn s PHE 67 Cb -0.10 -1.20 -0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1ykn s PHE 67 CO 0.32 0.03 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.53 1ykn s LEU 68 N -0.81 2.16 -0.01 6.12 1.02 -0.80 -1.79 118.68 124.57 1ykn s LEU 68 Ca 0.08 -0.38 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1ykn s LEU 68 Cb -0.09 -0.20 -0.01 0.00 0.02 0.00 0.00 46.19 45.91 1ykn s LEU 68 CO 0.00 -0.10 -0.12 -1.61 0.02 0.00 0.00 176.35 174.54 1ykn s GLU 69 N -1.02 1.02 0.01 1.70 2.02 -0.94 -2.24 118.70 119.25 1ykn s GLU 69 Ca -0.05 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.56 1ykn s GLU 69 Cb -0.07 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 1ykn s GLU 69 CO 0.00 0.26 -0.19 0.14 0.02 0.00 0.00 175.26 175.49 1ykn s VAL 70 N -0.26 1.49 -0.04 2.63 -7.23 -0.54 -1.00 120.40 115.45 1ykn s VAL 70 Ca 0.04 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1ykn s VAL 70 Cb -0.05 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1ykn s VAL 70 CO -0.00 0.29 -0.02 0.86 -0.31 0.00 0.00 175.10 175.91 1ykn s TRP 71 N -0.62 0.54 0.04 2.82 -0.11 -0.43 -2.27 118.94 118.91 1ykn s TRP 71 Ca 0.07 -0.10 -0.13 0.00 1.22 0.00 0.00 56.10 57.16 1ykn s TRP 71 Cb -0.08 -0.56 0.02 0.00 -1.50 0.00 0.00 33.47 31.35 1ykn s TRP 71 CO 0.00 -0.18 0.28 1.14 -4.62 0.00 0.00 176.95 173.58 1ykn s GLN 72 N 1.08 0.78 0.74 5.86 -2.07 -0.22 -1.85 119.66 123.98 1ykn s GLN 72 Ca -0.09 -0.53 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 1ykn s GLN 72 Cb -0.14 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1ykn s GLN 72 CO -0.01 -0.25 1.08 0.00 -1.32 0.00 0.00 175.29 174.79 1ykn s ALA 73 N -2.56 2.45 1.00 2.60 0.00 -1.26 -4.42 121.76 119.56 1ykn s ALA 73 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1ykn s ALA 73 Cb -0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1ykn s ALA 73 CO -0.03 -1.52 0.00 -0.40 0.00 0.00 0.00 175.76 173.81 1ykn n ASP 74 N -3.32 -0.03 0.00 0.00 5.68 0.67 -4.35 116.55 115.20 1ykn n ASP 74 Ca 0.08 -0.57 0.06 0.00 -0.50 0.00 0.00 54.79 53.87 1ykn n ASP 74 Cb 0.53 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.79 1ykn n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykn n ALA 75 N -3.00 1.62 -0.39 2.12 0.00 -1.26 -1.56 120.51 118.04 1ykn n ALA 75 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1ykn n ALA 75 Cb 0.00 -1.21 0.21 0.00 0.00 0.00 0.00 19.45 18.46 1ykn n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ykn n ASN 76 N -1.45 3.41 -0.25 0.00 3.02 -1.26 -4.13 115.26 114.60 1ykn n ASN 76 Ca 0.04 -2.22 -0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1ykn n ASN 76 Cb 0.14 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.54 0.60 3.10 7.41 0.00 -0.87 -4.81 105.19 111.16 1ykn n GLY 77 Ca 0.16 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.44 2.09 -0.16 1.61 2.02 -1.26 -4.78 118.70 113.77 1ykn s GLU 78 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1ykn s GLU 78 Cb -0.00 -1.68 -0.00 0.00 0.10 0.00 0.00 34.13 32.55 1ykn s GLU 78 CO 0.00 0.11 1.01 0.71 0.02 0.00 0.00 175.26 177.11 1ykn s TYR 79 N 0.47 3.43 -0.52 1.61 1.51 -1.26 -0.24 117.35 122.34 1ykn s TYR 79 Ca -0.14 1.52 -0.18 0.00 -1.01 0.00 0.00 57.07 57.26 1ykn s TYR 79 Cb -0.16 -3.21 0.08 0.00 -0.11 0.00 0.00 41.96 38.56 1ykn s TYR 79 CO 0.05 -0.34 0.58 -0.65 -1.11 0.00 0.00 175.55 174.09 1ykn s GLN 80 N 2.54 3.06 0.19 -0.62 -1.52 -1.26 -4.94 119.66 117.12 1ykn s GLN 80 Ca 0.46 -1.14 0.13 0.00 -1.95 0.00 0.00 55.36 52.86 1ykn s GLN 80 Cb -0.17 -4.16 -0.05 0.00 -0.22 0.00 0.00 33.01 28.41 1ykn s GLN 80 CO 0.12 -1.26 1.26 0.38 -0.25 0.00 0.00 175.29 175.55 1ykn h ASP 81 N 8.98 0.00 -1.77 5.90 2.03 -1.98 -3.21 116.42 126.37 1ykn h ASP 81 Ca -0.28 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.53 1ykn h ASP 81 Cb 1.10 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.54 1ykn h ASP 81 CO 0.98 0.66 1.18 0.00 -1.03 0.00 0.00 179.24 181.03 1ykn s ALA 82 N -2.88 2.29 0.08 4.15 0.00 -1.26 -4.92 121.76 119.23 1ykn s ALA 82 Ca 0.02 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1ykn s ALA 82 Cb 0.08 -4.36 -0.05 0.00 0.00 0.00 0.00 23.12 18.79 1ykn s ALA 82 CO 0.78 -3.87 1.05 -0.47 0.00 0.00 0.00 175.76 173.25 1ykn s TYR 83 N 7.95 3.64 -0.27 0.00 5.04 -1.26 -5.00 117.35 127.45 1ykn s TYR 83 Ca 0.57 1.62 -0.13 0.00 -2.44 0.00 0.00 57.07 56.69 1ykn s TYR 83 Cb -0.09 -3.20 0.09 0.00 0.35 0.00 0.00 41.96 39.11 1ykn s TYR 83 CO 0.12 -0.37 0.63 1.21 -1.34 0.00 0.00 175.55 175.80 1ykn s ASN 84 N 0.50 -0.91 0.00 4.32 3.84 -1.26 -5.04 114.94 116.40 1ykn s ASN 84 Ca 0.52 1.43 0.13 0.00 0.21 0.00 0.00 52.86 55.15 1ykn s ASN 84 Cb -0.25 1.59 0.56 0.00 -0.55 0.00 0.00 41.25 42.60 1ykn s ASN 84 CO 0.30 -0.23 1.42 0.18 -2.79 0.00 0.00 177.10 175.98 1ykn n LEU 85 N 4.73 0.01 0.08 3.21 4.77 -1.26 -2.25 117.00 126.28 1ykn n LEU 85 Ca -0.17 0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 1ykn n LEU 85 Cb 0.55 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1ykn n LEU 85 CO -0.01 -0.28 0.14 -0.33 -1.33 0.00 0.00 177.39 175.57 1ykn h GLU 86 N 0.00 0.38 -6.68 3.23 5.08 -2.00 -3.47 114.58 111.12 1ykn h GLU 86 Ca 0.00 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 57.34 1ykn h GLU 86 Cb 0.22 0.13 0.17 0.00 0.50 0.00 0.00 28.75 29.78 1ykn h GLU 86 CO 0.00 1.12 -0.14 0.09 -1.00 0.00 0.00 179.01 179.08 1ykn n ASN 87 N -3.70 -0.20 0.15 1.42 3.02 -0.95 -4.94 115.26 110.05 1ykn n ASN 87 Ca -0.07 0.75 0.02 0.00 -0.03 0.00 0.00 54.58 55.25 1ykn n ASN 87 Cb 0.87 -1.28 0.16 0.00 -0.61 0.00 0.00 39.78 38.92 1ykn n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ykn h ALA 88 N 0.27 0.80 -3.39 5.41 0.00 -1.91 -3.44 119.26 117.01 1ykn h ALA 88 Ca -0.47 -0.48 -0.41 0.00 0.00 0.00 0.00 54.91 53.55 1ykn h ALA 88 Cb 1.38 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.73 1ykn h ALA 88 CO 0.48 0.66 -0.77 0.12 0.00 0.00 0.00 179.25 179.74 1ykn s PHE 89 N -3.28 0.70 -0.03 0.00 5.36 -1.26 0.78 117.98 120.24 1ykn s PHE 89 Ca 0.01 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 1ykn s PHE 89 Cb 0.10 -0.70 -0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1ykn s PHE 89 CO 0.73 -0.24 -0.07 -0.80 -1.46 0.00 0.00 175.22 173.38 1ykn s ASN 90 N 1.28 4.62 0.30 6.13 0.01 0.03 -4.98 114.94 122.33 1ykn s ASN 90 Ca -0.06 -0.09 0.26 0.00 -0.71 0.00 0.00 52.86 52.26 1ykn s ASN 90 Cb -0.14 -1.11 0.87 0.00 0.41 0.00 0.00 41.25 41.28 1ykn s ASN 90 CO -0.02 0.32 1.76 0.28 -1.51 0.00 0.00 177.10 177.93 1ykn h SER 91 N 4.89 0.00 -3.23 -1.22 0.02 -1.76 -3.44 113.55 108.80 1ykn h SER 91 Ca -0.48 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.80 1ykn h SER 91 Cb 1.17 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.58 1ykn h SER 91 CO 0.53 0.00 -0.61 0.12 -1.14 0.00 0.00 176.83 175.73 1ykn s PHE 92 N -3.26 3.20 0.24 3.45 5.36 -1.26 -1.06 117.98 124.66 1ykn s PHE 92 Ca 0.07 0.19 -0.22 0.00 -0.96 0.00 0.00 56.93 56.01 1ykn s PHE 92 Cb 0.10 -1.76 0.03 0.00 -0.34 0.00 0.00 43.02 41.06 1ykn s PHE 92 CO 0.54 0.50 0.70 0.20 -1.46 0.00 0.00 175.22 175.70 1ykn s GLY 93 N -1.26 -0.23 0.04 13.12 0.00 -0.96 -4.86 107.32 113.16 1ykn s GLY 93 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.82 1ykn s GLY 93 CO 0.07 -0.02 -0.06 0.50 0.00 0.00 0.00 173.10 173.59 1ykn s ARG 94 N -3.85 0.46 0.11 2.90 0.52 -0.74 -1.47 118.95 116.89 1ykn s ARG 94 Ca 0.08 -0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1ykn s ARG 94 Cb -0.05 -0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.31 1ykn s ARG 94 CO 0.02 0.01 0.18 -2.37 0.02 0.00 0.00 175.30 173.16 1ykn n THR 95 N 1.43 0.00 -3.54 0.02 5.66 -0.95 -2.58 114.28 114.31 1ykn n THR 95 Ca -0.23 -0.46 -0.07 0.00 -3.05 0.00 0.00 64.05 60.25 1ykn n THR 95 Cb 0.55 0.33 -0.02 0.00 -1.55 0.00 0.00 70.33 69.64 1ykn n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykn s ALA 96 N -1.71 -1.89 -0.08 1.79 0.00 -1.26 -1.91 121.76 116.69 1ykn s ALA 96 Ca 0.07 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1ykn s ALA 96 Cb -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1ykn s ALA 96 CO 0.05 -0.69 -0.03 0.95 0.00 0.00 0.00 175.76 176.04 1ykn s THR 97 N -2.92 3.99 0.24 0.00 -4.23 -1.15 -4.19 115.64 107.38 1ykn s THR 97 Ca 0.07 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1ykn s THR 97 Cb -0.01 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1ykn s THR 97 CO -0.07 0.59 0.05 0.35 -0.54 0.00 0.00 174.62 175.00 1ykn n THR 98 N 2.31 0.00 -0.13 3.99 -2.24 0.26 -3.75 114.28 114.72 1ykn n THR 98 Ca -0.18 -1.29 -0.02 0.00 -2.27 0.00 0.00 64.05 60.29 1ykn n THR 98 Cb 0.53 0.39 0.22 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.28 0.83 0.00 4.78 0.04 -1.93 -3.01 116.94 118.95 1ykn h PHE 99 Ca -0.19 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.47 1ykn h PHE 99 Cb 0.67 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1ykn h PHE 99 CO 0.00 0.66 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.70 1ykn h ASP 100 N 0.81 0.19 -3.58 2.17 3.32 -1.96 -3.41 116.42 113.96 1ykn h ASP 100 Ca 0.19 -0.80 -0.70 0.00 0.02 0.00 0.00 57.03 55.74 1ykn h ASP 100 Cb 0.20 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 39.33 1ykn h ASP 100 CO -0.01 0.97 -0.21 0.00 -1.72 0.00 0.00 179.24 178.27 1ykn s ALA 101 N -3.02 4.01 -0.69 3.45 0.00 -1.20 -4.95 121.76 119.36 1ykn s ALA 101 Ca -0.16 -3.66 0.11 0.00 0.00 0.00 0.00 51.96 48.24 1ykn s ALA 101 Cb 0.00 -2.74 0.54 0.00 0.00 0.00 0.00 23.12 20.92 1ykn s ALA 101 CO 0.74 -2.14 1.33 0.41 0.00 0.00 0.00 175.76 176.10 1ykn n GLY 102 N 2.66 -0.74 3.45 0.00 0.00 -1.14 0.92 105.19 110.35 1ykn n GLY 102 Ca 0.17 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.21 2.25 0.37 1.61 2.12 -1.26 -4.55 118.70 116.03 1ykn s GLU 103 Ca 0.00 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.55 1ykn s GLU 103 Cb 0.04 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 1ykn s GLU 103 CO 0.13 0.58 0.33 1.67 -0.54 0.00 0.00 175.26 177.42 1ykn s TRP 104 N -0.81 2.82 0.00 5.30 1.48 -0.11 -4.65 118.94 122.98 1ykn s TRP 104 Ca 0.13 -0.38 -0.09 0.00 -1.06 0.00 0.00 56.10 54.70 1ykn s TRP 104 Cb -0.10 -1.96 0.01 0.00 -1.16 0.00 0.00 33.47 30.26 1ykn s TRP 104 CO 0.03 0.05 0.19 0.95 -4.06 0.00 0.00 176.95 174.11 1ykn s THR 105 N -2.37 0.08 0.01 0.66 -4.23 -1.26 -2.56 115.64 105.97 1ykn s THR 105 Ca 0.44 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1ykn s THR 105 Cb -0.05 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 1ykn s THR 105 CO 0.27 -0.37 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.72 1ykn s LEU 106 N -1.48 2.06 -0.21 4.79 2.96 -0.76 -4.79 118.68 121.26 1ykn s LEU 106 Ca -0.13 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1ykn s LEU 106 Cb -0.06 -0.15 0.04 0.00 0.50 0.00 0.00 46.19 46.52 1ykn s LEU 106 CO 0.02 -0.03 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.86 1ykn s HIS 107 N -0.40 2.97 0.00 5.38 3.76 -0.04 -0.85 115.29 126.11 1ykn s HIS 107 Ca -0.02 -1.92 0.00 0.00 -0.15 0.00 0.00 55.06 52.97 1ykn s HIS 107 Cb -0.03 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1ykn s HIS 107 CO -0.00 -0.84 0.00 -2.37 -0.85 0.00 0.00 174.74 170.68 1ykn n THR 108 N 4.54 0.00 -4.29 1.30 5.66 -1.01 -0.45 114.28 120.03 1ykn n THR 108 Ca -0.18 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 1ykn n THR 108 Cb 0.47 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.63 1.62 -0.00 1.08 -7.23 -1.26 0.25 120.40 113.22 1ykn s VAL 109 Ca 0.00 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1ykn s VAL 109 Cb 0.00 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 1ykn s VAL 109 CO 0.00 -0.30 1.59 -0.75 -0.31 0.00 0.00 175.10 175.33 1ykn s LYS 110 N -2.56 4.21 0.62 4.82 2.20 -0.84 -4.86 119.74 123.33 1ykn s LYS 110 Ca 0.11 2.18 -0.17 0.00 -0.36 0.00 0.00 55.97 57.73 1ykn s LYS 110 Cb -0.06 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1ykn s LYS 110 CO 0.05 -0.75 1.13 -1.25 -0.36 0.00 0.00 175.35 174.17 1ykn s PRO 111 N 3.22 2.94 0.78 4.03 0.04 -1.26 -4.17 135.00 140.58 1ykn s PRO 111 Ca 0.71 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 1ykn s PRO 111 Cb -0.35 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.39 1ykn s PRO 111 CO 0.29 -1.16 1.07 0.20 0.04 0.00 0.00 177.00 177.44 1ykn s GLY 112 N -2.23 1.76 0.09 0.56 0.00 -0.60 -4.73 107.32 102.16 1ykn s GLY 112 Ca 0.70 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 1ykn s GLY 112 CO 0.37 -1.11 1.01 0.14 0.00 0.00 0.00 173.10 173.50 1ykn s VAL 113 N -3.29 4.46 0.20 1.40 1.01 -1.26 -4.35 120.40 118.57 1ykn s VAL 113 Ca 0.69 1.94 0.11 0.00 0.00 0.00 0.00 61.98 64.72 1ykn s VAL 113 Cb -0.04 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1ykn s VAL 113 CO 0.46 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 176.28 1ykn s VAL 114 N 0.35 2.51 0.16 2.92 -7.23 -1.26 -4.41 120.40 113.44 1ykn s VAL 114 Ca 0.50 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1ykn s VAL 114 Cb -0.24 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 1ykn s VAL 114 CO 0.30 -0.16 0.41 0.20 -0.31 0.00 0.00 175.10 175.54 1ykn s ASN 115 N -2.83 6.51 0.97 4.85 0.01 -1.26 0.47 114.94 123.66 1ykn s ASN 115 Ca 0.23 0.65 -0.08 0.00 -0.71 0.00 0.00 52.86 52.95 1ykn s ASN 115 Cb -0.08 -2.11 0.11 0.00 0.41 0.00 0.00 41.25 39.58 1ykn s ASN 115 CO 0.11 0.02 0.64 -0.46 -1.51 0.00 0.00 177.10 175.91 1ykn n ASN 116 N 0.02 0.10 0.08 -1.22 6.94 -0.17 -4.87 115.26 116.14 1ykn n ASN 116 Ca -0.02 -1.26 0.12 0.00 -0.02 0.00 0.00 54.58 53.40 1ykn n ASN 116 Cb 0.52 -0.49 0.46 0.00 -2.36 0.00 0.00 39.78 37.91 1ykn n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykn n ALA 117 N -3.39 1.99 -0.12 -2.53 0.00 -1.26 -1.19 120.51 114.02 1ykn n ALA 117 Ca -0.10 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1ykn n ALA 117 Cb 0.29 -1.41 0.29 0.00 0.00 0.00 0.00 19.45 18.62 1ykn n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ykn n ALA 118 N -1.70 2.60 -0.98 0.00 0.00 -1.26 -4.95 120.51 114.22 1ykn n ALA 118 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1ykn n ALA 118 Cb 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.36 0.43 3.77 0.00 0.00 -0.33 -5.04 105.19 105.39 1ykn n GLY 119 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.99 4.61 0.26 1.61 1.01 -1.26 -4.76 120.40 119.88 1ykn s VAL 120 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1ykn s VAL 120 Cb 0.00 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1ykn s VAL 120 CO 0.00 0.46 1.38 -2.84 0.00 0.00 0.00 175.10 174.11 1ykn s PRO 121 N -0.67 4.31 0.04 2.72 0.02 -1.26 -1.00 135.00 139.16 1ykn s PRO 121 Ca 0.35 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1ykn s PRO 121 Cb -0.21 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1ykn s PRO 121 CO 0.23 -0.33 0.20 -1.64 -0.33 0.00 0.00 177.00 175.13 1ykn s MET 122 N -0.69 3.45 0.82 5.54 -1.94 0.18 -4.48 119.30 122.17 1ykn s MET 122 Ca 0.56 -0.38 -0.13 0.00 -1.71 0.00 0.00 55.69 54.03 1ykn s MET 122 Cb -0.40 -3.06 0.09 0.00 2.01 0.00 0.00 34.83 33.47 1ykn s MET 122 CO 0.45 0.63 1.20 0.00 -0.01 0.00 0.00 175.02 177.29 1ykn s ALA 123 N -1.44 1.80 0.23 3.03 0.00 -1.26 -4.19 121.76 119.93 1ykn s ALA 123 Ca 0.32 0.82 -0.32 0.00 0.00 0.00 0.00 51.96 52.78 1ykn s ALA 123 Cb -0.13 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 1ykn s ALA 123 CO 0.24 -2.34 1.68 -2.30 0.00 0.00 0.00 175.76 173.05 1ykn n PRO 124 N -3.39 2.70 -4.18 0.00 -0.02 -1.26 -4.85 135.00 124.00 1ykn n PRO 124 Ca 0.13 0.97 -0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1ykn n PRO 124 Cb 0.51 -2.80 -0.07 0.00 -0.02 0.00 0.00 33.50 31.12 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 0.85 1.28 -0.08 6.00 -3.43 -1.26 -4.43 115.29 114.22 1ykn s HIS 125 Ca 0.73 -1.40 0.03 0.00 -0.80 0.00 0.00 55.06 53.61 1ykn s HIS 125 Cb -0.52 -0.42 0.01 0.00 -1.43 0.00 0.00 32.58 30.22 1ykn s HIS 125 CO 0.37 -0.89 -0.15 0.42 -2.00 0.00 0.00 174.74 172.49 1ykn s ILE 126 N -3.60 1.38 -0.09 -5.38 1.01 0.33 -4.65 121.20 110.20 1ykn s ILE 126 Ca 0.36 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 1ykn s ILE 126 Cb 0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1ykn s ILE 126 CO 0.20 0.41 0.77 0.20 0.00 0.00 0.00 174.94 176.51 1ykn s ASN 127 N 0.64 7.01 -0.06 3.58 0.01 -0.77 0.45 114.94 125.80 1ykn s ASN 127 Ca -0.14 1.23 0.05 0.00 -0.71 0.00 0.00 52.86 53.29 1ykn s ASN 127 Cb -0.16 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ykn s ASN 127 CO 0.04 -0.22 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.57 1ykn s ILE 128 N 1.24 1.80 -0.15 0.60 1.01 -0.53 -1.32 121.20 123.86 1ykn s ILE 128 Ca 0.39 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 1ykn s ILE 128 Cb -0.18 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1ykn s ILE 128 CO 0.18 0.51 -0.14 -0.44 0.00 0.00 0.00 174.94 175.04 1ykn s SER 129 N -0.01 3.80 -0.12 3.58 0.01 -0.17 -0.40 113.70 120.39 1ykn s SER 129 Ca -0.06 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 1ykn s SER 129 Cb -0.13 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 1ykn s SER 129 CO 0.04 0.11 -0.07 -0.22 0.41 0.00 0.00 173.24 173.51 1ykn s LEU 130 N 0.67 3.12 0.12 2.44 2.96 0.11 -2.22 118.68 125.89 1ykn s LEU 130 Ca -0.07 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1ykn s LEU 130 Cb -0.16 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1ykn s LEU 130 CO 0.02 0.23 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.80 1ykn s PHE 131 N -0.00 1.29 0.00 5.38 0.40 -0.74 -1.91 117.98 122.40 1ykn s PHE 131 Ca -0.01 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 1ykn s PHE 131 Cb -0.14 -0.68 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1ykn s PHE 131 CO 0.03 0.10 0.00 0.00 0.70 0.00 0.00 175.22 176.05 1ykn n ALA 132 N 0.37 0.00 -1.75 5.36 0.00 -1.26 -0.54 120.51 122.69 1ykn n ALA 132 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1ykn n ALA 132 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 1ykn n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ykn s ARG 133 N -2.00 3.14 0.00 0.00 1.70 -1.25 -1.74 118.95 118.79 1ykn s ARG 133 Ca 0.00 2.06 0.00 0.00 -0.47 0.00 0.00 55.73 57.32 1ykn s ARG 133 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.21 1ykn s ARG 133 CO 0.00 -1.13 0.00 0.41 -1.08 0.00 0.00 175.30 173.50 1ykn n GLY 134 N 0.66 3.11 3.47 3.88 0.00 -1.26 -4.95 105.19 110.09 1ykn n GLY 134 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.53 5.25 0.18 -0.61 1.01 -0.71 -4.96 121.20 119.83 1ykn s ILE 135 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1ykn s ILE 135 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 1ykn s ILE 135 CO 0.00 -0.28 1.44 0.78 0.00 0.00 0.00 174.94 176.88 1ykn h ASN 136 N 8.62 0.43 -3.59 3.58 2.35 -1.91 -3.37 115.58 121.70 1ykn h ASN 136 Ca -0.28 -0.29 -0.28 0.00 -0.55 0.00 0.00 56.30 54.90 1ykn h ASN 136 Cb 1.12 -0.13 -0.32 0.00 0.05 0.00 0.00 38.32 39.04 1ykn h ASN 136 CO 0.72 1.03 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.29 1ykn s ILE 137 N -3.57 -0.01 0.79 2.81 2.07 -1.26 -3.41 121.20 118.61 1ykn s ILE 137 Ca -0.05 0.14 -0.14 0.00 -1.41 0.00 0.00 60.65 59.18 1ykn s ILE 137 Cb 0.10 -0.08 0.05 0.00 0.13 0.00 0.00 42.46 42.66 1ykn s ILE 137 CO 0.83 0.07 1.00 0.00 -1.91 0.00 0.00 174.94 174.94 1ykn n HIS 138 N 3.84 0.68 -3.87 3.50 1.44 -1.26 -4.97 115.22 114.58 1ykn n HIS 138 Ca -0.23 0.38 -0.35 0.00 -2.01 0.00 0.00 57.72 55.51 1ykn n HIS 138 Cb 0.53 -2.06 -0.10 0.00 0.12 0.00 0.00 29.99 28.48 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 -4.02 3.86 -0.12 2.39 1.43 -0.80 -4.90 118.68 116.52 1ykn s LEU 139 Ca 0.71 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1ykn s LEU 139 Cb -0.31 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1ykn s LEU 139 CO 0.53 0.12 0.20 -1.00 0.23 0.00 0.00 176.35 176.43 1ykn s HIS 140 N 0.72 3.58 0.33 0.29 3.76 -1.26 0.09 115.29 122.79 1ykn s HIS 140 Ca 0.05 0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 1ykn s HIS 140 Cb -0.13 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.48 1ykn s HIS 140 CO 0.02 0.59 0.44 -2.37 -0.85 0.00 0.00 174.74 172.57 1ykn n THR 141 N 2.38 0.00 -3.96 1.30 5.66 0.46 -1.21 114.28 118.91 1ykn n THR 141 Ca -0.17 -1.75 -0.14 0.00 -3.05 0.00 0.00 64.05 58.93 1ykn n THR 141 Cb 0.54 1.05 -0.15 0.00 -1.55 0.00 0.00 70.33 70.22 1ykn n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ykn s ARG 142 N -2.82 0.19 -0.32 1.09 0.52 -1.26 -1.45 118.95 114.90 1ykn s ARG 142 Ca 0.29 -0.03 -0.12 0.00 -0.52 0.00 0.00 55.73 55.35 1ykn s ARG 142 Cb -0.01 -0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 1ykn s ARG 142 CO 0.20 -0.01 0.22 -1.17 0.02 0.00 0.00 175.30 174.56 1ykn s LEU 143 N 0.26 4.35 0.51 2.53 0.20 0.17 -4.77 118.68 121.93 1ykn s LEU 143 Ca -0.02 -0.35 0.09 0.00 0.69 0.00 0.00 54.13 54.54 1ykn s LEU 143 Cb -0.04 -2.11 0.05 0.00 -0.43 0.00 0.00 46.19 43.65 1ykn s LEU 143 CO -0.01 -0.19 0.66 -0.31 -0.29 0.00 0.00 176.35 176.21 1ykn s TYR 144 N 1.72 1.96 -0.14 5.38 1.51 -0.03 -0.51 117.35 127.24 1ykn s TYR 144 Ca 0.06 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1ykn s TYR 144 Cb -0.17 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1ykn s TYR 144 CO 0.10 -0.79 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.52 1ykn s PHE 145 N -2.56 2.74 0.58 2.71 0.40 -1.26 0.34 117.98 120.92 1ykn s PHE 145 Ca 0.56 -1.04 0.42 0.00 -0.60 0.00 0.00 56.93 56.27 1ykn s PHE 145 Cb -0.07 -1.85 2.23 0.00 0.51 0.00 0.00 43.02 43.84 1ykn s PHE 145 CO 0.35 -0.46 2.31 0.38 0.70 0.00 0.00 175.22 178.50 1ykn h ASP 146 N 7.16 0.00 -0.43 1.36 2.03 -1.63 -1.68 116.42 123.23 1ykn h ASP 146 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1ykn h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1ykn h ASP 146 CO 0.55 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.87 1ykn n ASP 147 N -3.15 2.43 -2.03 4.15 5.75 -1.26 -3.86 116.55 118.57 1ykn n ASP 147 Ca -0.02 -1.97 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 1ykn n ASP 147 Cb 0.11 -0.29 0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1ykn n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykn n GLU 148 N 0.82 3.60 -0.24 0.11 -0.58 -0.63 -4.87 120.64 118.85 1ykn n GLU 148 Ca 0.16 -4.15 0.03 0.00 -0.42 0.00 0.00 57.16 52.78 1ykn n GLU 148 Cb 0.39 -2.28 0.16 0.00 -0.57 0.00 0.00 31.44 29.14 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 2.18 0.94 0.28 0.62 0.00 -1.76 0.16 119.26 121.69 1ykn h ALA 149 Ca 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1ykn h ALA 149 Cb 1.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ykn h ALA 149 CO 0.78 -0.22 -0.14 0.37 0.00 0.00 0.00 179.25 180.04 1ykn h GLN 150 N 0.40 -0.37 0.00 0.00 4.15 -1.93 -2.08 115.11 115.29 1ykn h GLN 150 Ca 0.37 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.75 1ykn h GLN 150 Cb 0.55 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1ykn h GLN 150 CO -0.39 -0.13 -0.32 0.00 -1.93 0.00 0.00 178.83 176.06 1ykn h ALA 151 N 0.12 1.21 0.00 3.38 0.00 -1.88 -2.79 119.26 119.31 1ykn h ALA 151 Ca -0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1ykn h ALA 151 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ykn h ALA 151 CO 0.06 0.40 -0.24 -0.91 0.00 0.00 0.00 179.25 178.57 1ykn h ASN 152 N 0.00 0.00 0.91 0.00 2.35 -0.46 -1.71 115.58 116.67 1ykn h ASN 152 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1ykn h ASN 152 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1ykn h ASN 152 CO 0.04 0.24 -0.38 0.00 -1.65 0.00 0.00 177.43 175.68 1ykn h ALA 153 N 1.76 0.96 -0.29 -0.83 0.00 -1.09 -2.90 119.26 116.88 1ykn h ALA 153 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ykn h ALA 153 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ykn h ALA 153 CO 0.03 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1ykn n LYS 154 N -3.49 2.13 -2.18 0.00 5.02 -0.72 -4.94 118.16 113.98 1ykn n LYS 154 Ca 0.00 -1.93 -0.42 0.00 -2.02 0.00 0.00 58.31 53.94 1ykn n LYS 154 Cb 0.53 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1ykn n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykn n PRO 156 N 3.77 0.00 -0.10 0.00 -0.04 -1.26 -1.24 135.00 136.13 1ykn n PRO 156 Ca 0.11 0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 1ykn n PRO 156 Cb 0.42 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.50 1.50 -0.13 0.52 0.31 -1.26 -3.41 118.33 114.36 1ykn n VAL 157 Ca 0.04 0.02 0.15 0.00 -0.01 0.00 0.00 64.34 64.54 1ykn n VAL 157 Cb 0.22 -2.13 0.52 0.00 -0.91 0.00 0.00 33.84 31.54 1ykn n VAL 157 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ykn h LEU 158 N -1.00 0.34 -1.70 7.52 5.85 -1.88 -2.37 115.31 122.07 1ykn h LEU 158 Ca -0.28 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ykn h LEU 158 Cb 1.11 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ykn h LEU 158 CO -0.17 0.18 -0.04 0.78 -0.34 0.00 0.00 178.44 178.85 1ykn h ASN 159 N 0.37 0.00 0.72 1.25 2.35 -1.26 -2.57 115.58 116.44 1ykn h ASN 159 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1ykn h ASN 159 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1ykn h ASN 159 CO -0.10 0.04 0.00 -0.07 -1.65 0.00 0.00 177.43 175.66 1ykn h LEU 160 N 0.00 0.00 -9.04 1.61 3.38 -1.44 -3.42 115.31 106.40 1ykn h LEU 160 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1ykn h LEU 160 Cb 0.45 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1ykn h LEU 160 CO 0.01 0.00 0.73 -0.63 0.09 0.00 0.00 178.44 178.64 1ykn s ILE 161 N -3.45 4.68 0.22 1.22 1.01 -0.97 -4.93 121.20 118.98 1ykn s ILE 161 Ca 0.03 1.85 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 1ykn s ILE 161 Cb 0.09 -4.29 0.17 0.00 0.01 0.00 0.00 42.46 38.44 1ykn s ILE 161 CO 0.41 -0.23 1.82 -0.33 0.00 0.00 0.00 174.94 176.62 1ykn h GLU 162 N 7.65 0.75 -5.05 2.79 5.08 -1.89 -3.42 114.58 120.49 1ykn h GLU 162 Ca -0.20 -0.05 -0.64 0.00 -1.00 0.00 0.00 59.36 57.47 1ykn h GLU 162 Cb 1.07 -0.17 -0.16 0.00 0.50 0.00 0.00 28.75 29.99 1ykn h GLU 162 CO 0.97 0.50 -0.27 -0.65 -1.00 0.00 0.00 179.01 178.55 1ykn s GLN 163 N -6.08 3.80 0.35 2.33 -1.52 -1.26 -4.99 119.66 112.28 1ykn s GLN 163 Ca -0.13 -0.20 0.09 0.00 -1.95 0.00 0.00 55.36 53.18 1ykn s GLN 163 Cb 0.17 -3.73 0.83 0.00 -0.22 0.00 0.00 33.01 30.07 1ykn s GLN 163 CO 0.77 -0.39 1.84 -1.35 -0.25 0.00 0.00 175.29 175.91 1ykn h PRO 164 N 8.33 0.66 -0.32 2.91 0.11 -1.99 0.74 132.00 142.43 1ykn h PRO 164 Ca -0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1ykn h PRO 164 Cb 1.15 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1ykn h PRO 164 CO 0.66 0.43 0.14 1.96 -0.21 0.00 0.00 178.00 180.99 1ykn h GLN 165 N 0.67 0.45 0.00 1.05 7.50 -1.97 -2.68 115.11 120.13 1ykn h GLN 165 Ca 0.49 -0.05 -0.15 0.00 0.50 0.00 0.00 58.65 59.44 1ykn h GLN 165 Cb 0.85 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.26 1ykn h GLN 165 CO -0.25 0.36 -0.70 0.00 -1.50 0.00 0.00 178.83 176.75 1ykn h ARG 166 N 0.45 0.00 0.00 1.46 3.08 -1.25 -3.05 114.38 115.07 1ykn h ARG 166 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1ykn h ARG 166 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ykn h ARG 166 CO -0.01 0.70 -0.21 0.00 -1.07 0.00 0.00 179.97 179.38 1ykn h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.39 -1.75 114.38 114.36 1ykn h ARG 167 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ykn h ARG 167 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1ykn h ARG 167 CO 0.09 0.21 0.00 0.93 -1.07 0.00 0.00 179.97 180.13 1ykn h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.53 -2.11 114.58 116.06 1ykn h GLU 168 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ykn h GLU 168 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ykn h GLU 168 CO 0.03 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.29 1ykn n THR 169 N -2.81 0.67 -0.13 1.13 -2.24 -0.66 -2.47 114.28 107.78 1ykn n THR 169 Ca -0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1ykn n THR 169 Cb 0.16 -0.86 0.29 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.12 3.71 -4.41 3.22 4.77 -0.79 -4.77 117.00 116.60 1ykn n LEU 170 Ca 0.04 -1.86 -0.36 0.00 -0.03 0.00 0.00 56.01 53.80 1ykn n LEU 170 Cb 0.32 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 1ykn n LEU 170 CO 0.24 0.79 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.15 1ykn s ILE 171 N -1.43 4.10 -0.05 -0.08 1.01 -1.03 -0.85 121.20 122.87 1ykn s ILE 171 Ca 0.43 -0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1ykn s ILE 171 Cb 0.25 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1ykn s ILE 171 CO 0.25 0.35 0.73 0.00 0.00 0.00 0.00 174.94 176.28 1ykn s ALA 172 N 1.58 3.33 -0.33 9.38 0.00 0.15 -4.86 121.76 131.01 1ykn s ALA 172 Ca 0.06 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 1ykn s ALA 172 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1ykn s ALA 172 CO 0.02 -0.09 0.72 0.15 0.00 0.00 0.00 175.76 176.56 1ykn s LYS 173 N 0.72 3.82 0.47 0.00 1.02 -0.23 -1.61 119.74 123.92 1ykn s LYS 173 Ca 0.39 0.32 -0.24 0.00 0.02 0.00 0.00 55.97 56.46 1ykn s LYS 173 Cb -0.18 -3.77 -0.08 0.00 -0.52 0.00 0.00 37.83 33.28 1ykn s LYS 173 CO 0.19 -0.72 1.27 -2.13 -0.92 0.00 0.00 175.35 173.04 1ykn n ARG 174 N 6.16 1.79 -3.62 1.68 0.63 -1.26 -0.95 116.66 121.09 1ykn n ARG 174 Ca 0.01 0.65 -0.07 0.00 -0.92 0.00 0.00 57.85 57.52 1ykn n ARG 174 Cb 0.48 -2.41 0.03 0.00 0.45 0.00 0.00 32.46 31.01 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 -2.08 1.01 -0.21 0.00 2.02 -1.26 -1.61 118.70 116.57 1ykn s GLU 176 Ca 0.16 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1ykn s GLU 176 Cb -0.04 -0.94 0.05 0.00 0.10 0.00 0.00 34.13 33.30 1ykn s GLU 176 CO 0.10 0.02 -0.07 0.08 0.02 0.00 0.00 175.26 175.40 1ykn s VAL 177 N 0.57 1.50 -1.20 2.63 1.01 0.28 -4.82 120.40 120.37 1ykn s VAL 177 Ca -0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1ykn s VAL 177 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1ykn s VAL 177 CO 0.01 0.03 0.90 0.47 0.00 0.00 0.00 175.10 176.51 1ykn n ASP 178 N 4.71 -2.82 0.00 3.32 8.00 -1.26 -2.22 116.55 126.29 1ykn n ASP 178 Ca -0.13 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1ykn n ASP 178 Cb 0.46 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -1.29 0.37 3.69 0.44 0.00 -1.26 -4.95 105.19 102.19 1ykn n GLY 179 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.61 3.99 0.09 1.61 2.47 -0.94 -5.10 119.74 121.25 1ykn s LYS 180 Ca 0.00 -0.29 -0.31 0.00 -1.56 0.00 0.00 55.97 53.81 1ykn s LYS 180 Cb 0.00 -3.27 -0.10 0.00 -1.46 0.00 0.00 37.83 33.00 1ykn s LYS 180 CO 0.00 0.33 1.87 2.41 0.16 0.00 0.00 175.35 180.13 1ykn n THR 181 N 3.38 0.48 -4.12 3.43 -1.04 -1.26 -0.55 114.28 114.59 1ykn n THR 181 Ca -0.17 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 1ykn n THR 181 Cb 0.52 -2.15 -0.13 0.00 -1.82 0.00 0.00 70.33 66.76 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 3.25 0.55 -0.10 2.41 0.00 -0.64 -0.18 121.76 127.06 1ykn s ALA 182 Ca 0.85 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1ykn s ALA 182 Cb -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1ykn s ALA 182 CO 0.40 0.05 -0.17 0.71 0.00 0.00 0.00 175.76 176.75 1ykn s TYR 183 N -0.80 2.69 0.03 0.00 1.51 0.13 -1.42 117.35 119.49 1ykn s TYR 183 Ca -0.04 -0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 1ykn s TYR 183 Cb -0.06 -1.74 -0.06 0.00 -0.11 0.00 0.00 41.96 39.98 1ykn s TYR 183 CO 0.00 -0.17 0.49 0.50 -1.11 0.00 0.00 175.55 175.26 1ykn s ARG 184 N 0.06 4.07 -0.32 -0.62 3.52 -0.13 -1.06 118.95 124.47 1ykn s ARG 184 Ca -0.07 0.58 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 1ykn s ARG 184 Cb -0.15 -3.24 0.16 0.00 -1.56 0.00 0.00 34.95 30.16 1ykn s ARG 184 CO 0.05 0.65 0.40 0.12 -0.81 0.00 0.00 175.30 175.71 1ykn s PHE 185 N -1.04 -0.82 0.23 5.12 5.36 0.09 -1.07 117.98 125.85 1ykn s PHE 185 Ca 0.26 -0.02 -0.14 0.00 -0.96 0.00 0.00 56.93 56.07 1ykn s PHE 185 Cb -0.18 -0.22 -0.08 0.00 -0.34 0.00 0.00 43.02 42.20 1ykn s PHE 185 CO 0.16 -0.99 0.63 -0.51 -1.46 0.00 0.00 175.22 173.05 1ykn s ASP 186 N 2.20 6.79 -0.18 6.13 1.01 -1.26 -4.12 116.67 127.23 1ykn s ASP 186 Ca 0.12 1.14 0.01 0.00 0.71 0.00 0.00 52.55 54.52 1ykn s ASP 186 Cb -0.13 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1ykn s ASP 186 CO -0.23 -0.05 -0.15 -0.63 0.21 0.00 0.00 175.17 174.33 1ykn s ILE 187 N -1.72 1.83 -0.48 0.77 1.01 -0.54 -4.92 121.20 117.15 1ykn s ILE 187 Ca 0.46 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1ykn s ILE 187 Cb -0.13 -1.76 0.09 0.00 0.01 0.00 0.00 42.46 40.67 1ykn s ILE 187 CO 0.20 0.37 0.39 -0.13 0.00 0.00 0.00 174.94 175.76 1ykn s ARG 188 N 1.35 2.89 0.44 2.79 0.52 -1.26 -0.31 118.95 125.36 1ykn s ARG 188 Ca 0.02 -1.46 0.11 0.00 -0.52 0.00 0.00 55.73 53.88 1ykn s ARG 188 Cb -0.14 -4.09 0.99 0.00 0.52 0.00 0.00 34.95 32.22 1ykn s ARG 188 CO -0.10 -1.08 2.05 0.82 0.02 0.00 0.00 175.30 177.00 1ykn h ILE 189 N 5.86 1.01 -2.54 1.52 2.04 -1.66 -0.53 117.51 123.21 1ykn h ILE 189 Ca -0.27 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1ykn h ILE 189 Cb 1.10 0.57 -0.21 0.00 -0.74 0.00 0.00 36.82 37.54 1ykn h ILE 189 CO 0.89 0.07 -0.09 -1.58 0.00 0.00 0.00 178.15 177.44 1ykn s GLN 190 N -5.38 0.73 0.81 2.37 0.74 -1.26 -4.76 119.66 112.91 1ykn s GLN 190 Ca -0.07 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1ykn s GLN 190 Cb 0.18 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.64 1ykn s GLN 190 CO 0.73 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 1ykn n GLY 191 N 1.86 0.18 3.70 2.59 0.00 -1.26 -4.21 105.19 108.05 1ykn n GLY 191 Ca -0.17 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1ykn n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 192 N 0.00 4.14 -0.58 1.61 2.12 -1.26 -1.59 118.70 123.14 1ykn s GLU 192 Ca 0.00 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.89 1ykn s GLU 192 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1ykn s GLU 192 CO 0.00 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 1ykn n GLY 193 N 4.11 0.78 3.67 -1.50 0.00 -1.26 -4.93 105.19 106.07 1ykn n GLY 193 Ca 0.17 -0.81 -0.49 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.80 1.95 -1.72 1.61 2.13 -0.62 -4.59 120.64 116.60 1ykn n GLU 194 Ca -0.06 0.71 -0.40 0.00 0.66 0.00 0.00 57.16 58.08 1ykn n GLU 194 Cb 0.19 -2.49 0.03 0.00 0.27 0.00 0.00 31.44 29.44 1ykn n GLU 194 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ykn n THR 195 N 4.24 3.08 -2.29 6.31 -1.04 -0.21 -4.95 114.28 119.43 1ykn n THR 195 Ca 0.21 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.34 1ykn n THR 195 Cb 0.26 -1.64 -0.02 0.00 -1.82 0.00 0.00 70.33 67.12 1ykn n THR 195 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ykn s VAL 196 N -1.25 3.15 0.03 12.58 1.01 -1.26 -4.95 120.40 129.71 1ykn s VAL 196 Ca 0.65 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.64 1ykn s VAL 196 Cb -0.46 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ykn s VAL 196 CO 0.54 0.08 -0.15 -0.36 0.00 0.00 0.00 175.10 175.22 1ykn s PHE 197 N -1.42 1.28 0.39 5.22 0.08 -1.26 -4.71 117.98 117.56 1ykn s PHE 197 Ca 0.57 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 57.37 1ykn s PHE 197 Cb -0.31 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1ykn s PHE 197 CO 0.38 0.03 0.22 -0.06 -0.10 0.00 0.00 175.22 175.69 1ykn s PHE 198 N -0.73 2.67 -0.01 0.36 0.08 -0.35 -5.00 117.98 114.99 1ykn s PHE 198 Ca 0.03 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1ykn s PHE 198 Cb -0.07 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1ykn s PHE 198 CO 0.01 0.15 -0.03 0.34 -0.10 0.00 0.00 175.22 175.59 1ykn s ASP 199 N -3.95 0.54 0.00 1.36 3.68 -1.26 -4.32 116.67 112.72 1ykn s ASP 199 Ca 0.42 -0.07 0.00 0.00 2.13 0.00 0.00 52.55 55.03 1ykn s ASP 199 Cb 0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.33 1ykn s ASP 199 CO 0.24 0.00 0.00 2.22 0.13 0.00 0.00 175.17 177.76