#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykn s ILE 2 N 0.00 4.22 -0.15 4.25 -1.09 -1.26 -5.04 121.20 122.13 1ykn s ILE 2 Ca 0.00 1.49 -0.05 0.00 -2.23 0.00 0.00 60.65 59.86 1ykn s ILE 2 Cb 0.00 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1ykn s ILE 2 CO 0.00 -0.10 0.03 -1.61 -1.23 0.00 0.00 174.94 172.03 1ykn s GLU 3 N 3.21 3.64 0.65 2.79 0.41 -1.26 -5.13 118.70 123.01 1ykn s GLU 3 Ca 0.56 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.79 1ykn s GLU 3 Cb -0.23 -3.05 0.11 0.00 -1.78 0.00 0.00 34.13 29.18 1ykn s GLU 3 CO 0.17 0.41 0.90 -0.51 -0.49 0.00 0.00 175.26 175.74 1ykn s LEU 4 N -0.04 3.03 0.36 1.80 1.02 -1.26 -5.04 118.68 118.55 1ykn s LEU 4 Ca 0.05 -0.65 -0.28 0.00 0.02 0.00 0.00 54.13 53.27 1ykn s LEU 4 Cb -0.12 -1.73 -0.10 0.00 0.02 0.00 0.00 46.19 44.25 1ykn s LEU 4 CO 0.01 -1.63 1.37 -0.76 0.02 0.00 0.00 176.35 175.37 1ykn s LEU 5 N -4.91 4.35 0.36 1.79 1.43 -1.26 -4.97 118.68 115.47 1ykn s LEU 5 Ca 0.64 2.82 -0.25 0.00 -1.03 0.00 0.00 54.13 56.32 1ykn s LEU 5 Cb -0.05 -3.70 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1ykn s LEU 5 CO 0.42 -0.72 0.96 -2.16 0.23 0.00 0.00 176.35 175.08 1ykn s PRO 6 N -1.99 4.43 0.37 1.29 0.04 -1.26 -5.02 135.00 132.86 1ykn s PRO 6 Ca 0.52 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 1ykn s PRO 6 Cb -0.42 -2.61 -0.11 0.00 0.04 0.00 0.00 34.50 31.40 1ykn s PRO 6 CO 0.56 0.13 1.48 -2.00 0.04 0.00 0.00 177.00 177.22 1ykn s GLU 7 N -2.39 4.13 0.09 4.56 2.12 -1.26 -4.96 118.70 120.98 1ykn s GLU 7 Ca 0.54 2.54 -0.32 0.00 0.36 0.00 0.00 54.97 58.10 1ykn s GLU 7 Cb -0.17 -2.98 -0.11 0.00 0.26 0.00 0.00 34.13 31.13 1ykn s GLU 7 CO 0.22 -0.51 1.84 2.41 -0.54 0.00 0.00 175.26 178.67 1ykn n THR 8 N 0.64 0.42 -1.52 -1.70 -1.04 -1.26 -4.91 114.28 104.90 1ykn n THR 8 Ca 0.02 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.61 1ykn n THR 8 Cb 0.39 -2.06 0.08 0.00 -1.82 0.00 0.00 70.33 66.92 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 2.98 2.32 0.55 -2.82 0.02 -1.26 -5.02 135.00 131.76 1ykn s PRO 9 Ca 0.84 1.65 -0.16 0.00 0.02 0.00 0.00 61.00 63.35 1ykn s PRO 9 Cb -0.52 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.07 1ykn s PRO 9 CO 0.40 -1.68 1.01 0.45 -0.33 0.00 0.00 177.00 176.86 1ykn s SER 10 N -2.19 6.32 0.02 2.53 0.15 -1.26 -5.10 113.70 114.17 1ykn s SER 10 Ca 0.72 1.65 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 1ykn s SER 10 Cb -0.27 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 1ykn s SER 10 CO 0.44 -0.80 0.05 -1.10 1.20 0.00 0.00 173.24 173.04 1ykn s GLN 11 N -4.10 0.46 0.64 5.44 -1.52 -1.21 -4.90 119.66 114.46 1ykn s GLN 11 Ca 0.60 -0.63 -0.17 0.00 -1.95 0.00 0.00 55.36 53.21 1ykn s GLN 11 Cb -0.12 0.18 -0.06 0.00 -0.22 0.00 0.00 33.01 32.79 1ykn s GLN 11 CO 0.34 -0.10 0.62 -2.37 -0.25 0.00 0.00 175.29 173.53 1ykn n THR 12 N 1.23 2.41 1.15 -0.19 5.66 -1.19 -4.77 114.28 118.58 1ykn n THR 12 Ca -0.22 -0.46 0.14 0.00 -3.05 0.00 0.00 64.05 60.46 1ykn n THR 12 Cb 0.56 -0.80 0.65 0.00 -1.55 0.00 0.00 70.33 69.19 1ykn n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykn n ALA 13 N -1.99 2.34 -0.39 1.79 0.00 -1.26 -5.02 120.51 115.98 1ykn n ALA 13 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ykn n ALA 13 Cb 0.48 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 1.25 -2.69 0.19 0.00 0.00 -1.26 -3.78 105.19 98.91 1ykn n GLY 14 Ca 0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.39 0.20 -1.00 1.61 0.13 -1.93 -2.84 132.00 127.78 1ykn h PRO 15 Ca -0.05 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 64.39 1ykn h PRO 15 Cb 0.38 -0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.21 1ykn h PRO 15 CO 0.02 0.60 0.75 0.66 -0.23 0.00 0.00 178.00 179.80 1ykn n TYR 16 N -4.02 3.14 0.08 1.56 4.01 -1.26 -4.59 117.16 116.09 1ykn n TYR 16 Ca -0.02 -2.36 0.19 0.00 -0.16 0.00 0.00 57.90 55.56 1ykn n TYR 16 Cb 0.48 -1.17 0.74 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.00 0.56 0.00 -0.72 3.04 -1.59 0.11 116.25 118.64 1ykn h VAL 17 Ca 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.31 1ykn h VAL 17 Cb 1.99 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 1ykn h VAL 17 CO 1.32 0.00 -0.04 0.45 -1.01 0.00 0.00 177.57 178.29 1ykn h HIS 18 N 0.00 0.00 -0.11 3.17 3.86 -1.85 -1.93 115.15 118.29 1ykn h HIS 18 Ca 0.19 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 1ykn h HIS 18 Cb 0.90 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1ykn h HIS 18 CO 0.00 0.04 -0.47 -0.84 0.86 0.00 0.00 177.93 177.52 1ykn h ILE 19 N 0.00 1.33 0.00 2.45 3.07 -1.01 0.12 117.51 123.47 1ykn h ILE 19 Ca -0.00 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.73 1ykn h ILE 19 Cb 0.18 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1ykn h ILE 19 CO 0.01 0.50 -1.44 0.61 -1.05 0.00 0.00 178.15 176.77 1ykn n GLY 20 N -0.02 -1.22 0.00 0.16 0.00 -0.79 -4.59 105.19 98.74 1ykn n GLY 20 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.37 0.46 -2.89 0.99 4.77 -0.83 -4.85 117.00 112.28 1ykn n LEU 21 Ca -0.01 -0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 55.24 1ykn n LEU 21 Cb 0.54 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1ykn n LEU 21 CO 0.43 0.12 0.07 0.00 -1.33 0.00 0.00 177.39 176.67 1ykn n ALA 22 N -0.26 -0.07 0.07 -1.18 0.00 0.41 -4.98 120.51 114.50 1ykn n ALA 22 Ca 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 53.44 51.40 1ykn n ALA 22 Cb 0.04 -1.14 0.42 0.00 0.00 0.00 0.00 19.45 18.77 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 3.72 0.33 0.66 0.00 4.07 -1.76 0.64 115.31 122.97 1ykn h LEU 23 Ca -0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1ykn h LEU 23 Cb 1.00 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.66 1ykn h LEU 23 CO 0.34 0.34 -0.32 -0.08 -1.08 0.00 0.00 178.44 177.64 1ykn h GLU 24 N 0.37 -0.86 -0.29 1.13 4.81 -1.87 0.37 114.58 118.24 1ykn h GLU 24 Ca 0.09 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1ykn h GLU 24 Cb 0.15 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ykn h GLU 24 CO -0.00 -0.57 0.26 0.00 -0.73 0.00 0.00 179.01 177.96 1ykn h ALA 25 N -1.37 2.06 0.00 2.92 0.00 -1.86 1.33 119.26 122.34 1ykn h ALA 25 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ykn h ALA 25 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ykn h ALA 25 CO 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1ykn n ALA 26 N -2.44 2.48 -2.98 0.00 0.00 0.20 -4.88 120.51 112.89 1ykn n ALA 26 Ca 0.04 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1ykn n ALA 26 Cb 0.42 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 1.06 -0.17 3.59 0.00 0.00 0.46 -4.98 105.19 105.14 1ykn n GLY 27 Ca 0.16 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.95 4.24 0.36 1.61 0.01 0.13 -5.02 114.94 113.31 1ykn s ASN 28 Ca 0.29 -0.74 -0.28 0.00 -0.71 0.00 0.00 52.86 51.42 1ykn s ASN 28 Cb -0.13 -0.68 -0.11 0.00 0.41 0.00 0.00 41.25 40.74 1ykn s ASN 28 CO 0.36 0.02 1.46 -0.81 -1.51 0.00 0.00 177.10 176.63 1ykn n PRO 29 N -0.70 2.57 -2.61 -0.60 -0.04 -1.26 -4.17 135.00 128.19 1ykn n PRO 29 Ca -0.07 0.90 -0.26 0.00 -0.04 0.00 0.00 63.50 64.03 1ykn n PRO 29 Cb 0.59 -2.61 0.02 0.00 -0.04 0.00 0.00 33.50 31.45 1ykn n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ykn s THR 30 N -0.96 4.20 0.45 0.52 -4.23 -1.26 -4.85 115.64 109.51 1ykn s THR 30 Ca 0.55 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1ykn s THR 30 Cb -0.50 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1ykn s THR 30 CO 0.61 -0.58 0.65 -0.13 -0.54 0.00 0.00 174.62 174.64 1ykn s ARG 31 N -4.81 2.95 0.29 3.99 0.52 -1.26 -5.01 118.95 115.62 1ykn s ARG 31 Ca 0.50 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 1ykn s ARG 31 Cb -0.10 -2.60 0.75 0.00 0.52 0.00 0.00 34.95 33.52 1ykn s ARG 31 CO 0.44 -0.31 1.66 -0.44 0.02 0.00 0.00 175.30 176.66 1ykn h ASP 32 N 0.42 0.12 -3.16 0.23 3.32 -2.07 -3.39 116.42 111.89 1ykn h ASP 32 Ca -0.45 0.19 -0.57 0.00 0.02 0.00 0.00 57.03 56.22 1ykn h ASP 32 Cb 1.26 0.23 -0.36 0.00 0.22 0.00 0.00 39.33 40.68 1ykn h ASP 32 CO 0.55 -0.12 -0.82 -1.10 -1.72 0.00 0.00 179.24 176.03 1ykn s GLN 33 N -5.90 1.92 -0.01 3.56 -0.21 -1.26 -5.13 119.66 112.63 1ykn s GLN 33 Ca -0.12 -0.43 0.06 0.00 0.02 0.00 0.00 55.36 54.90 1ykn s GLN 33 Cb 0.26 -1.88 -0.02 0.00 1.00 0.00 0.00 33.01 32.38 1ykn s GLN 33 CO 0.77 -0.26 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.28 1ykn s GLU 34 N 1.59 1.59 -0.46 2.91 0.41 -1.26 -5.11 118.70 118.36 1ykn s GLU 34 Ca 0.05 -0.73 -0.23 0.00 -0.41 0.00 0.00 54.97 53.65 1ykn s GLU 34 Cb -0.13 -1.55 0.03 0.00 -1.78 0.00 0.00 34.13 30.70 1ykn s GLU 34 CO -0.09 0.42 0.77 0.42 -0.49 0.00 0.00 175.26 176.29 1ykn s ILE 35 N -0.50 4.66 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.49 1ykn s ILE 35 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1ykn s ILE 35 Cb -0.08 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1ykn s ILE 35 CO -0.01 -0.75 0.00 1.87 0.00 0.00 0.00 174.94 176.06 1ykn n TRP 36 N 6.69 0.00 -0.85 3.97 -0.00 -1.26 -4.60 117.44 121.38 1ykn n TRP 36 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.59 1ykn n TRP 36 Cb 0.48 0.00 0.38 0.00 -0.00 0.00 0.00 31.31 32.17 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 5.38 -4.07 5.87 6.94 -0.97 -2.31 115.26 126.10 1ykn n ASN 37 Ca 0.00 -2.84 -0.35 0.00 -0.02 0.00 0.00 54.58 51.37 1ykn n ASN 37 Cb 0.00 -0.65 -0.12 0.00 -2.36 0.00 0.00 39.78 36.65 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 -2.58 2.14 0.18 -3.83 3.52 -1.26 -1.51 118.95 115.61 1ykn s ARG 38 Ca 0.53 -2.21 0.01 0.00 -0.13 0.00 0.00 55.73 53.92 1ykn s ARG 38 Cb 0.39 -3.55 0.06 0.00 -1.56 0.00 0.00 34.95 30.29 1ykn s ARG 38 CO 0.17 -1.10 1.43 -0.07 -0.81 0.00 0.00 175.30 174.92 1ykn h LEU 39 N 7.38 0.38 -8.60 -0.88 4.07 -1.35 -3.46 115.31 112.86 1ykn h LEU 39 Ca -0.07 -0.26 -0.66 0.00 0.08 0.00 0.00 57.88 56.97 1ykn h LEU 39 Cb 0.98 -0.11 -0.27 0.00 1.08 0.00 0.00 40.66 42.34 1ykn h LEU 39 CO 0.68 1.01 -0.77 0.00 -1.08 0.00 0.00 178.44 178.28 1ykn s ALA 40 N -3.50 2.62 0.54 1.53 0.00 -1.23 -1.28 121.76 120.44 1ykn s ALA 40 Ca -0.05 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1ykn s ALA 40 Cb 0.10 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 1ykn s ALA 40 CO 0.83 0.23 1.00 0.15 0.00 0.00 0.00 175.76 177.97 1ykn s LYS 41 N 0.39 3.85 0.45 0.00 1.02 0.44 -4.89 119.74 120.99 1ykn s LYS 41 Ca -0.11 0.90 0.35 0.00 0.02 0.00 0.00 55.97 57.14 1ykn s LYS 41 Cb -0.16 -2.12 1.49 0.00 -0.52 0.00 0.00 37.83 36.52 1ykn s LYS 41 CO 0.05 -0.35 1.52 -2.30 -0.92 0.00 0.00 175.35 173.34 1ykn n PRO 42 N -1.89 -0.03 -1.09 -1.68 -0.02 -1.26 -0.69 135.00 128.34 1ykn n PRO 42 Ca 0.06 1.19 -0.17 0.00 -2.02 0.00 0.00 63.50 62.56 1ykn n PRO 42 Cb 0.54 -2.41 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 1ykn n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ykn n ASP 43 N -4.51 3.43 -4.88 2.55 5.75 -1.26 -4.98 116.55 112.64 1ykn n ASP 43 Ca 0.40 -3.69 -0.30 0.00 -0.01 0.00 0.00 54.79 51.19 1ykn n ASP 43 Cb 1.60 -0.76 -0.03 0.00 -1.03 0.00 0.00 41.12 40.90 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 -3.31 3.45 0.71 2.12 0.00 0.14 -5.03 121.76 119.83 1ykn s ALA 44 Ca 0.53 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 1ykn s ALA 44 Cb 0.45 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1ykn s ALA 44 CO 0.06 0.11 1.12 -1.25 0.00 0.00 0.00 175.76 175.80 1ykn s PRO 45 N -3.67 2.48 0.00 0.00 0.04 -1.26 -4.89 135.00 127.70 1ykn s PRO 45 Ca 0.49 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ykn s PRO 45 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ykn s PRO 45 CO 0.30 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.25 1ykn n GLY 46 N -0.48 -1.95 3.50 0.56 0.00 -1.26 -4.62 105.19 100.94 1ykn n GLY 46 Ca 0.11 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.31 3.27 -0.04 1.61 2.12 -1.26 -4.98 118.70 119.10 1ykn s GLU 47 Ca 0.00 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1ykn s GLU 47 Cb 0.00 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1ykn s GLU 47 CO 0.00 -1.26 1.47 -1.01 -0.54 0.00 0.00 175.26 173.92 1ykn s HIS 48 N 3.24 2.53 0.13 5.30 3.76 -1.26 -2.13 115.29 126.85 1ykn s HIS 48 Ca 0.24 0.61 0.07 0.00 -0.15 0.00 0.00 55.06 55.83 1ykn s HIS 48 Cb -0.15 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 29.77 1ykn s HIS 48 CO 0.17 -2.87 -0.15 0.96 -0.85 0.00 0.00 174.74 172.01 1ykn s ILE 49 N 3.17 1.45 -0.13 0.60 -4.36 -0.68 -4.61 121.20 116.64 1ykn s ILE 49 Ca 0.66 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 59.24 1ykn s ILE 49 Cb -0.31 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1ykn s ILE 49 CO 0.26 -0.39 0.04 -0.22 0.24 0.00 0.00 174.94 174.87 1ykn s LEU 50 N -2.49 3.77 -0.07 0.37 2.96 -0.67 -1.69 118.68 120.86 1ykn s LEU 50 Ca 0.10 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1ykn s LEU 50 Cb -0.05 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1ykn s LEU 50 CO 0.04 0.31 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.43 1ykn s LEU 51 N -0.44 2.48 0.05 -0.68 1.43 0.33 -0.87 118.68 120.97 1ykn s LEU 51 Ca 0.09 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1ykn s LEU 51 Cb -0.12 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1ykn s LEU 51 CO 0.02 0.26 0.09 -1.48 0.23 0.00 0.00 176.35 175.46 1ykn s LEU 52 N -0.22 1.87 0.01 1.79 -0.00 -0.54 -1.45 118.68 120.14 1ykn s LEU 52 Ca -0.00 -0.63 -0.29 0.00 -0.00 0.00 0.00 54.13 53.20 1ykn s LEU 52 Cb -0.13 0.59 0.11 0.00 -0.00 0.00 0.00 46.19 46.76 1ykn s LEU 52 CO 0.03 -0.55 1.22 -0.83 -0.00 0.00 0.00 176.35 176.22 1ykn s GLY 53 N -2.35 -0.38 0.22 -3.48 0.00 -1.02 0.80 107.32 101.11 1ykn s GLY 53 Ca -0.02 0.61 0.09 0.00 0.00 0.00 0.00 44.72 45.40 1ykn s GLY 53 CO -0.06 0.11 -0.17 1.20 0.00 0.00 0.00 173.10 174.18 1ykn s GLN 54 N -2.60 1.42 -0.05 2.90 -0.21 -1.25 -1.06 119.66 118.82 1ykn s GLN 54 Ca 0.14 -1.62 0.03 0.00 0.02 0.00 0.00 55.36 53.93 1ykn s GLN 54 Cb 0.03 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.71 1ykn s GLN 54 CO -0.03 0.24 -0.14 0.08 -2.12 0.00 0.00 175.29 173.32 1ykn s VAL 55 N -2.73 1.22 0.07 1.09 1.01 -1.26 -0.88 120.40 118.92 1ykn s VAL 55 Ca 0.24 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1ykn s VAL 55 Cb -0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1ykn s VAL 55 CO 0.09 0.36 -0.23 -0.31 0.00 0.00 0.00 175.10 175.01 1ykn s TYR 56 N 0.26 2.03 0.67 5.22 1.51 -0.41 -0.02 117.35 126.61 1ykn s TYR 56 Ca -0.07 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1ykn s TYR 56 Cb -0.12 -1.18 0.12 0.00 -0.11 0.00 0.00 41.96 40.66 1ykn s TYR 56 CO 0.02 0.16 0.92 0.16 -1.11 0.00 0.00 175.55 175.70 1ykn s ASP 57 N -1.44 4.64 0.49 2.29 1.47 -0.87 -0.67 116.67 122.59 1ykn s ASP 57 Ca 0.10 -0.71 0.32 0.00 1.18 0.00 0.00 52.55 53.43 1ykn s ASP 57 Cb -0.10 0.33 1.72 0.00 -0.34 0.00 0.00 42.92 44.53 1ykn s ASP 57 CO 0.03 -1.68 1.96 1.23 0.68 0.00 0.00 175.17 177.39 1ykn h GLY 58 N -0.22 0.00 -0.21 2.12 0.00 -1.91 -2.41 103.07 100.45 1ykn h GLY 58 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ykn h GLY 58 CO 0.39 0.00 -0.37 0.70 0.00 0.00 0.00 176.54 177.26 1ykn n ASN 59 N -2.63 1.39 0.00 0.19 3.02 -1.26 -4.83 115.26 111.14 1ykn n ASN 59 Ca -0.02 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1ykn n ASN 59 Cb 0.08 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.38 0.94 3.81 7.41 0.00 -0.90 -5.06 105.19 112.76 1ykn n GLY 60 Ca 0.11 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 3.28 0.18 1.61 3.76 -1.26 -4.80 115.29 116.06 1ykn s HIS 61 Ca 0.00 0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.74 1ykn s HIS 61 Cb 0.00 -1.67 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 1ykn s HIS 61 CO 0.00 0.54 1.41 -0.51 -0.85 0.00 0.00 174.74 175.33 1ykn s LEU 62 N -2.31 4.39 -0.45 0.89 1.43 -1.26 -2.05 118.68 119.32 1ykn s LEU 62 Ca 0.30 2.48 -0.25 0.00 -1.03 0.00 0.00 54.13 55.63 1ykn s LEU 62 Cb -0.12 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1ykn s LEU 62 CO 0.22 -0.66 0.87 -0.69 0.23 0.00 0.00 176.35 176.32 1ykn s VAL 63 N 0.55 4.55 -1.57 -1.59 1.01 0.97 -4.89 120.40 119.43 1ykn s VAL 63 Ca 0.62 0.68 0.21 0.00 0.00 0.00 0.00 61.98 63.49 1ykn s VAL 63 Cb -0.39 -4.38 0.69 0.00 0.00 0.00 0.00 36.38 32.30 1ykn s VAL 63 CO 0.36 -0.76 1.59 0.54 0.00 0.00 0.00 175.10 176.83 1ykn n ARG 64 N 6.96 3.24 -1.69 2.72 1.74 -1.26 -4.32 116.66 124.05 1ykn n ARG 64 Ca 0.05 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1ykn n ARG 64 Cb 0.48 -1.73 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.42 1.71 -4.94 0.55 5.68 -1.24 -3.56 116.55 116.17 1ykn n ASP 65 Ca 0.25 -2.59 -0.24 0.00 -0.50 0.00 0.00 54.79 51.71 1ykn n ASP 65 Cb 0.76 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 40.35 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 -2.86 5.95 -0.02 -1.12 1.04 -1.22 -4.56 113.70 110.92 1ykn s SER 66 Ca 0.35 0.50 0.03 0.00 0.48 0.00 0.00 55.95 57.31 1ykn s SER 66 Cb 0.37 -1.78 -0.00 0.00 0.10 0.00 0.00 66.02 64.71 1ykn s SER 66 CO -0.10 -0.66 -0.11 0.12 0.98 0.00 0.00 173.24 173.47 1ykn s PHE 67 N -2.61 1.02 -0.02 5.02 5.36 -0.16 -2.65 117.98 123.93 1ykn s PHE 67 Ca 0.47 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1ykn s PHE 67 Cb -0.10 -0.68 0.00 0.00 -0.34 0.00 0.00 43.02 41.90 1ykn s PHE 67 CO 0.40 -0.05 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.53 1ykn s LEU 68 N -0.11 1.76 -0.00 6.12 1.02 -0.18 -1.52 118.68 125.77 1ykn s LEU 68 Ca 0.02 -0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.07 1ykn s LEU 68 Cb -0.06 -0.45 -0.03 0.00 0.02 0.00 0.00 46.19 45.67 1ykn s LEU 68 CO -0.00 0.04 -0.15 -1.61 0.02 0.00 0.00 176.35 174.65 1ykn s GLU 69 N 0.23 2.32 0.12 1.70 2.02 -0.55 -1.69 118.70 122.85 1ykn s GLU 69 Ca -0.03 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.20 1ykn s GLU 69 Cb -0.08 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1ykn s GLU 69 CO 0.00 0.58 -0.15 0.14 0.02 0.00 0.00 175.26 175.85 1ykn s VAL 70 N -0.85 1.39 -0.12 2.63 -7.23 -0.39 -1.07 120.40 114.75 1ykn s VAL 70 Ca 0.14 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1ykn s VAL 70 Cb -0.11 -1.51 0.06 0.00 0.56 0.00 0.00 36.38 35.39 1ykn s VAL 70 CO 0.04 -0.35 0.22 0.86 -0.31 0.00 0.00 175.10 175.56 1ykn s TRP 71 N -1.93 -0.32 0.02 2.82 -0.11 -0.42 -2.39 118.94 116.60 1ykn s TRP 71 Ca 0.08 0.75 -0.04 0.00 1.22 0.00 0.00 56.10 58.11 1ykn s TRP 71 Cb -0.06 -0.16 -0.01 0.00 -1.50 0.00 0.00 33.47 31.74 1ykn s TRP 71 CO 0.03 -0.36 0.05 1.14 -4.62 0.00 0.00 176.95 173.19 1ykn s GLN 72 N 2.37 0.44 0.73 5.86 -2.07 0.10 -1.17 119.66 125.91 1ykn s GLN 72 Ca 0.03 -0.59 -0.13 0.00 -1.82 0.00 0.00 55.36 52.85 1ykn s GLN 72 Cb -0.13 0.17 0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1ykn s GLN 72 CO -0.08 -0.09 1.11 0.00 -1.32 0.00 0.00 175.29 174.90 1ykn s ALA 73 N -1.76 2.31 0.99 2.60 0.00 -1.26 -4.49 121.76 120.15 1ykn s ALA 73 Ca -0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1ykn s ALA 73 Cb -0.07 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ykn s ALA 73 CO -0.01 -1.59 0.00 -0.40 0.00 0.00 0.00 175.76 173.75 1ykn n ASP 74 N -3.01 0.00 0.19 0.00 5.68 0.15 -4.41 116.55 115.15 1ykn n ASP 74 Ca 0.10 -0.85 0.14 0.00 -0.50 0.00 0.00 54.79 53.68 1ykn n ASP 74 Cb 0.52 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 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 -1.98 1.00 -0.68 2.12 0.00 -1.82 0.45 119.26 118.35 1ykn h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ykn h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ykn h ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1ykn n ASN 76 N -2.54 3.89 -0.03 0.00 3.02 -1.26 -3.34 115.26 115.01 1ykn n ASN 76 Ca 0.01 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1ykn n ASN 76 Cb 0.21 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1ykn n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 77 N 1.63 0.45 3.23 7.41 0.00 -0.52 -4.82 105.19 112.56 1ykn n GLY 77 Ca 0.24 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1ykn n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykn s GLU 78 N -3.96 2.31 -0.39 1.61 2.02 -1.26 -4.72 118.70 114.31 1ykn s GLU 78 Ca 0.00 -0.82 -0.28 0.00 0.02 0.00 0.00 54.97 53.89 1ykn s GLU 78 Cb 0.00 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1ykn s GLU 78 CO 0.00 0.34 1.06 0.71 0.02 0.00 0.00 175.26 177.39 1ykn s TYR 79 N -0.11 3.02 -0.94 1.61 1.51 -1.26 0.32 117.35 121.50 1ykn s TYR 79 Ca -0.04 0.92 -0.19 0.00 -1.01 0.00 0.00 57.07 56.75 1ykn s TYR 79 Cb -0.13 -3.94 0.12 0.00 -0.11 0.00 0.00 41.96 37.90 1ykn s TYR 79 CO 0.03 -0.96 1.17 -0.65 -1.11 0.00 0.00 175.55 174.04 1ykn s GLN 80 N 3.89 3.60 0.05 -0.62 -1.52 -1.26 -4.89 119.66 118.90 1ykn s GLN 80 Ca 0.44 -1.66 0.27 0.00 -1.95 0.00 0.00 55.36 52.46 1ykn s GLN 80 Cb -0.10 -4.98 0.83 0.00 -0.22 0.00 0.00 33.01 28.53 1ykn s GLN 80 CO 0.22 -1.84 1.67 -0.40 -0.25 0.00 0.00 175.29 174.69 1ykn n ASP 81 N 6.89 0.37 -4.45 5.90 5.75 -1.26 -3.29 116.55 126.46 1ykn n ASP 81 Ca 0.25 0.23 -0.44 0.00 -0.01 0.00 0.00 54.79 54.83 1ykn n ASP 81 Cb 0.49 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 1ykn n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykn s ALA 82 N -3.04 3.53 0.25 2.12 0.00 -1.26 -4.95 121.76 118.41 1ykn s ALA 82 Ca 0.11 -2.92 -0.31 0.00 0.00 0.00 0.00 51.96 48.85 1ykn s ALA 82 Cb 0.17 -4.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.10 1ykn s ALA 82 CO 0.62 -2.93 1.66 0.98 0.00 0.00 0.00 175.76 176.09 1ykn n TYR 83 N 6.32 2.81 -3.65 0.00 9.36 -1.26 -4.99 117.16 125.75 1ykn n TYR 83 Ca 0.27 0.15 -0.07 0.00 3.32 0.00 0.00 57.90 61.57 1ykn n TYR 83 Cb 0.48 -2.64 -0.08 0.00 -0.63 0.00 0.00 39.34 36.47 1ykn n TYR 83 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ykn s ASN 84 N 0.82 -0.88 0.59 2.98 3.84 -1.26 -5.03 114.94 116.00 1ykn s ASN 84 Ca 0.69 1.41 0.32 0.00 0.21 0.00 0.00 52.86 55.49 1ykn s ASN 84 Cb -0.50 1.30 1.86 0.00 -0.55 0.00 0.00 41.25 43.36 1ykn s ASN 84 CO 0.41 -0.23 2.24 -0.07 -2.79 0.00 0.00 177.10 176.66 1ykn h LEU 85 N 7.04 0.00 -0.08 3.21 3.38 -1.97 -2.19 115.31 124.70 1ykn h LEU 85 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ykn h LEU 85 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ykn h LEU 85 CO 0.18 0.02 -0.14 -0.62 0.09 0.00 0.00 178.44 177.98 1ykn n GLU 86 N -3.68 0.29 -1.87 1.13 1.02 -1.26 -4.93 120.64 111.34 1ykn n GLU 86 Ca -0.03 -0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 1ykn n GLU 86 Cb 0.11 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.76 5.17 0.23 1.62 0.01 -0.83 -4.92 114.94 113.46 1ykn s ASN 87 Ca 0.20 2.12 0.01 0.00 -0.71 0.00 0.00 52.86 54.48 1ykn s ASN 87 Cb 0.19 -2.57 0.25 0.00 0.41 0.00 0.00 41.25 39.53 1ykn s ASN 87 CO 0.54 -1.59 1.59 0.00 -1.51 0.00 0.00 177.10 176.12 1ykn h ALA 88 N 0.37 0.87 -3.51 0.60 0.00 -1.91 -3.44 119.26 112.24 1ykn h ALA 88 Ca -0.48 -0.47 -0.31 0.00 0.00 0.00 0.00 54.91 53.65 1ykn h ALA 88 Cb 1.26 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.62 1ykn h ALA 88 CO 0.54 0.66 -0.73 0.12 0.00 0.00 0.00 179.25 179.84 1ykn s PHE 89 N -4.08 0.11 -0.05 0.00 5.36 -1.26 -0.42 117.98 117.64 1ykn s PHE 89 Ca -0.06 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1ykn s PHE 89 Cb 0.12 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1ykn s PHE 89 CO 0.81 -0.10 -0.08 -0.80 -1.46 0.00 0.00 175.22 173.59 1ykn s ASN 90 N 1.06 4.56 0.00 6.13 0.01 -0.41 -4.96 114.94 121.34 1ykn s ASN 90 Ca -0.09 -0.07 0.27 0.00 -0.71 0.00 0.00 52.86 52.27 1ykn s ASN 90 Cb -0.13 -1.11 1.17 0.00 0.41 0.00 0.00 41.25 41.59 1ykn s ASN 90 CO -0.03 0.35 1.88 -1.20 -1.51 0.00 0.00 177.10 176.59 1ykn n SER 91 N 2.13 0.01 -4.40 -1.22 7.64 -1.21 -4.75 113.62 111.82 1ykn n SER 91 Ca -0.17 0.50 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 1ykn n SER 91 Cb 0.53 -0.51 -0.13 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.00 2.38 0.23 1.43 5.36 -1.26 -0.73 117.98 122.39 1ykn s PHE 92 Ca 0.13 -0.36 -0.21 0.00 -0.96 0.00 0.00 56.93 55.53 1ykn s PHE 92 Cb 0.18 -1.33 0.07 0.00 -0.34 0.00 0.00 43.02 41.59 1ykn s PHE 92 CO 0.50 0.27 0.95 0.20 -1.46 0.00 0.00 175.22 175.69 1ykn s GLY 93 N -1.74 0.09 0.01 13.12 0.00 -1.01 -4.86 107.32 112.93 1ykn s GLY 93 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1ykn s GLY 93 CO 0.05 1.17 0.07 0.50 0.00 0.00 0.00 173.10 174.89 1ykn s ARG 94 N -2.52 0.43 0.34 2.90 1.81 -0.98 -1.27 118.95 119.68 1ykn s ARG 94 Ca 0.18 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 53.65 1ykn s ARG 94 Cb -0.03 0.17 -0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1ykn s ARG 94 CO 0.06 -0.10 0.44 -0.08 -0.68 0.00 0.00 175.30 174.95 1ykn s THR 95 N -1.58 0.00 -0.01 0.02 -1.32 -0.68 -2.28 115.64 109.79 1ykn s THR 95 Ca -0.14 -1.67 -0.29 0.00 -1.21 0.00 0.00 61.69 58.39 1ykn s THR 95 Cb -0.08 -2.63 0.08 0.00 -1.51 0.00 0.00 72.50 68.36 1ykn s THR 95 CO -0.00 0.00 0.71 0.00 -2.21 0.00 0.00 174.62 173.12 1ykn s ALA 96 N -3.09 -1.75 -0.22 11.08 0.00 -1.26 -1.01 121.76 125.51 1ykn s ALA 96 Ca 0.32 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 1ykn s ALA 96 Cb 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1ykn s ALA 96 CO 0.22 -0.48 0.15 0.95 0.00 0.00 0.00 175.76 176.59 1ykn s THR 97 N -1.95 5.38 0.38 0.00 -4.23 -1.09 -4.26 115.64 109.88 1ykn s THR 97 Ca -0.06 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 1ykn s THR 97 Cb -0.00 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 1ykn s THR 97 CO 0.02 0.39 0.02 0.35 -0.54 0.00 0.00 174.62 174.86 1ykn n THR 98 N 3.94 0.00 -0.17 3.99 -2.24 0.86 -3.42 114.28 117.24 1ykn n THR 98 Ca -0.15 -1.84 -0.09 0.00 -2.27 0.00 0.00 64.05 59.69 1ykn n THR 98 Cb 0.52 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.26 0.85 0.13 4.78 0.04 -1.96 -2.91 116.94 119.12 1ykn h PHE 99 Ca -0.31 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.35 1ykn h PHE 99 Cb 0.97 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 1ykn h PHE 99 CO 0.00 0.79 -0.17 -0.44 -0.60 0.00 0.00 178.31 177.89 1ykn h ASP 100 N 0.67 -0.46 -3.83 2.17 3.32 -1.98 -3.38 116.42 112.92 1ykn h ASP 100 Ca 0.14 0.05 -0.67 0.00 0.02 0.00 0.00 57.03 56.57 1ykn h ASP 100 Cb 0.40 0.17 -0.38 0.00 0.22 0.00 0.00 39.33 39.74 1ykn h ASP 100 CO 0.01 -0.25 -0.61 0.00 -1.72 0.00 0.00 179.24 176.67 1ykn s ALA 101 N -6.12 3.14 -0.32 3.45 0.00 -1.19 -4.99 121.76 115.74 1ykn s ALA 101 Ca -0.15 -2.78 0.25 0.00 0.00 0.00 0.00 51.96 49.28 1ykn s ALA 101 Cb 0.07 -2.22 1.11 0.00 0.00 0.00 0.00 23.12 22.08 1ykn s ALA 101 CO 0.65 -1.84 1.76 0.78 0.00 0.00 0.00 175.76 177.11 1ykn h GLY 102 N 7.43 0.00 -5.14 0.00 0.00 -1.71 2.55 103.07 106.20 1ykn h GLY 102 Ca -0.07 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.58 1ykn h GLY 102 CO 0.63 0.00 -0.77 1.85 0.00 0.00 0.00 176.54 178.25 1ykn s GLU 103 N -3.43 2.79 0.25 4.80 2.12 -1.26 -4.58 118.70 119.39 1ykn s GLU 103 Ca 0.02 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 1ykn s GLU 103 Cb 0.09 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 1ykn s GLU 103 CO 0.38 0.48 0.44 1.67 -0.54 0.00 0.00 175.26 177.70 1ykn s TRP 104 N -0.36 3.48 0.04 5.30 1.48 -0.22 -4.68 118.94 123.98 1ykn s TRP 104 Ca 0.04 0.36 0.02 0.00 -1.06 0.00 0.00 56.10 55.46 1ykn s TRP 104 Cb -0.12 -1.88 -0.03 0.00 -1.16 0.00 0.00 33.47 30.28 1ykn s TRP 104 CO 0.02 0.30 -0.07 0.95 -4.06 0.00 0.00 176.95 174.09 1ykn s THR 105 N -2.00 0.51 -0.09 0.66 -4.23 -1.26 -2.44 115.64 106.79 1ykn s THR 105 Ca 0.39 -1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1ykn s THR 105 Cb -0.11 -0.67 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1ykn s THR 105 CO 0.30 -0.44 0.22 -0.22 -0.54 0.00 0.00 174.62 173.94 1ykn s LEU 106 N -1.70 0.55 -0.21 4.79 2.96 -0.53 -4.81 118.68 119.74 1ykn s LEU 106 Ca -0.09 0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1ykn s LEU 106 Cb -0.09 0.64 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 1ykn s LEU 106 CO -0.00 -0.15 0.05 -1.00 -1.32 0.00 0.00 176.35 173.92 1ykn s HIS 107 N 1.14 3.14 0.00 5.38 3.76 -0.57 -0.51 115.29 127.62 1ykn s HIS 107 Ca -0.08 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1ykn s HIS 107 Cb -0.10 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.47 1ykn s HIS 107 CO -0.07 -0.10 0.00 -2.37 -0.85 0.00 0.00 174.74 171.35 1ykn n THR 108 N 4.12 0.00 -4.47 1.30 5.66 -0.68 -0.98 114.28 119.23 1ykn n THR 108 Ca -0.16 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.60 1ykn n THR 108 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 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 -2.34 2.37 -0.05 1.08 -7.23 -1.26 -1.68 120.40 111.29 1ykn s VAL 109 Ca 0.00 -2.36 -0.30 0.00 -1.81 0.00 0.00 61.98 57.51 1ykn s VAL 109 Cb 0.00 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1ykn s VAL 109 CO 0.00 -0.39 1.26 -0.75 -0.31 0.00 0.00 175.10 174.91 1ykn s LYS 110 N -3.54 4.32 0.55 4.82 2.20 -0.91 -4.89 119.74 122.30 1ykn s LYS 110 Ca 0.30 1.75 -0.18 0.00 -0.36 0.00 0.00 55.97 57.48 1ykn s LYS 110 Cb -0.04 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1ykn s LYS 110 CO 0.14 -0.51 1.07 -1.25 -0.36 0.00 0.00 175.35 174.44 1ykn s PRO 111 N 2.39 3.45 0.95 4.03 0.04 -1.26 -4.21 135.00 140.39 1ykn s PRO 111 Ca 0.58 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1ykn s PRO 111 Cb -0.26 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.43 1ykn s PRO 111 CO 0.23 -0.72 1.30 0.20 0.04 0.00 0.00 177.00 178.05 1ykn s GLY 112 N -2.35 1.78 -0.03 0.56 0.00 0.03 -4.69 107.32 102.64 1ykn s GLY 112 Ca 0.66 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 1ykn s GLY 112 CO 0.30 -0.50 0.73 0.14 0.00 0.00 0.00 173.10 173.77 1ykn s VAL 113 N -3.84 4.94 0.09 1.40 1.01 -1.26 -4.49 120.40 118.24 1ykn s VAL 113 Ca 0.74 1.52 0.10 0.00 0.00 0.00 0.00 61.98 64.33 1ykn s VAL 113 Cb -0.04 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ykn s VAL 113 CO 0.52 0.29 -0.24 0.68 0.00 0.00 0.00 175.10 176.36 1ykn s VAL 114 N 0.50 2.44 0.34 2.92 -7.23 -1.26 -4.43 120.40 113.68 1ykn s VAL 114 Ca 0.38 -1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 1ykn s VAL 114 Cb -0.19 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 1ykn s VAL 114 CO 0.20 0.19 0.72 0.20 -0.31 0.00 0.00 175.10 176.11 1ykn s ASN 115 N -1.79 6.66 0.90 4.85 -0.87 -1.26 -1.38 114.94 122.05 1ykn s ASN 115 Ca 0.14 1.18 -0.12 0.00 -1.57 0.00 0.00 52.86 52.49 1ykn s ASN 115 Cb -0.10 -2.33 0.18 0.00 -0.02 0.00 0.00 41.25 38.97 1ykn s ASN 115 CO 0.06 -0.26 1.24 0.54 -2.57 0.00 0.00 177.10 176.11 1ykn s ASN 116 N -2.61 3.45 0.49 -1.22 4.22 -0.30 -4.88 114.94 114.08 1ykn s ASN 116 Ca 0.52 0.14 0.20 0.00 -2.14 0.00 0.00 52.86 51.58 1ykn s ASN 116 Cb -0.10 -0.28 1.23 0.00 1.28 0.00 0.00 41.25 43.38 1ykn s ASN 116 CO 0.23 -2.51 1.99 0.00 -2.04 0.00 0.00 177.10 174.77 1ykn h ALA 117 N -1.37 2.27 0.00 3.54 0.00 -1.99 -1.66 119.26 120.05 1ykn h ALA 117 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ykn h ALA 117 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ykn h ALA 117 CO 0.39 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1ykn n ALA 118 N -2.58 2.62 -1.00 0.00 0.00 -1.26 -4.95 120.51 113.34 1ykn n ALA 118 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ykn n ALA 118 Cb 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.81 0.64 3.75 0.00 0.00 -0.62 -5.04 105.19 104.73 1ykn n GLY 119 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.60 5.06 0.14 1.61 1.01 -1.26 -4.80 120.40 119.56 1ykn s VAL 120 Ca 0.00 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 1ykn s VAL 120 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1ykn s VAL 120 CO 0.00 0.39 1.42 -2.16 0.00 0.00 0.00 175.10 174.75 1ykn s PRO 121 N 0.13 4.30 0.31 2.72 0.04 -1.26 -1.15 135.00 140.09 1ykn s PRO 121 Ca 0.28 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1ykn s PRO 121 Cb -0.17 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1ykn s PRO 121 CO 0.14 -0.46 0.54 -1.64 0.04 0.00 0.00 177.00 175.62 1ykn s MET 122 N 0.90 3.54 0.85 4.56 -1.94 -0.48 -4.42 119.30 122.32 1ykn s MET 122 Ca 0.65 -0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.32 1ykn s MET 122 Cb -0.39 -2.67 0.10 0.00 2.01 0.00 0.00 34.83 33.88 1ykn s MET 122 CO 0.32 0.19 1.10 0.00 -0.01 0.00 0.00 175.02 176.62 1ykn s ALA 123 N -2.19 1.81 0.25 3.03 0.00 -1.26 -4.25 121.76 119.14 1ykn s ALA 123 Ca 0.41 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1ykn s ALA 123 Cb -0.10 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1ykn s ALA 123 CO 0.33 -2.18 1.67 -2.14 0.00 0.00 0.00 175.76 173.45 1ykn s PRO 124 N -4.87 4.12 0.10 0.00 0.02 -1.26 -4.89 135.00 128.22 1ykn s PRO 124 Ca 0.63 2.61 -0.18 0.00 0.02 0.00 0.00 61.00 64.08 1ykn s PRO 124 Cb -0.18 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.33 1ykn s PRO 124 CO 0.57 -0.71 0.43 -3.38 -0.33 0.00 0.00 177.00 173.58 1ykn s HIS 125 N 0.68 -0.27 -0.11 6.54 -3.43 -1.26 -4.30 115.29 113.13 1ykn s HIS 125 Ca 0.70 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 55.07 1ykn s HIS 125 Cb -0.49 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 1ykn s HIS 125 CO 0.39 -0.67 -0.22 0.42 -2.00 0.00 0.00 174.74 172.66 1ykn s ILE 126 N -3.29 2.18 0.02 -5.38 1.01 -0.25 -4.57 121.20 110.92 1ykn s ILE 126 Ca -0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 1ykn s ILE 126 Cb 0.01 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1ykn s ILE 126 CO -0.08 0.55 0.74 0.20 0.00 0.00 0.00 174.94 176.35 1ykn s ASN 127 N 0.45 7.15 0.01 3.58 0.01 -0.31 -0.90 114.94 124.92 1ykn s ASN 127 Ca -0.15 1.37 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 1ykn s ASN 127 Cb -0.17 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1ykn s ASN 127 CO 0.06 -0.00 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.88 1ykn s ILE 128 N 0.10 1.09 -0.04 0.60 1.01 -0.47 -1.31 121.20 122.19 1ykn s ILE 128 Ca 0.38 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1ykn s ILE 128 Cb -0.20 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1ykn s ILE 128 CO 0.21 0.17 -0.21 -0.44 0.00 0.00 0.00 174.94 174.68 1ykn s SER 129 N -0.68 2.55 -0.00 3.58 0.01 -0.23 -0.21 113.70 118.72 1ykn s SER 129 Ca 0.04 -0.41 0.08 0.00 1.31 0.00 0.00 55.95 56.96 1ykn s SER 129 Cb -0.06 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 1ykn s SER 129 CO 0.00 0.22 -0.24 -0.22 0.41 0.00 0.00 173.24 173.41 1ykn s LEU 130 N -0.24 2.07 0.15 2.44 2.96 0.11 -1.48 118.68 124.69 1ykn s LEU 130 Ca 0.01 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1ykn s LEU 130 Cb -0.11 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1ykn s LEU 130 CO 0.01 0.28 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.92 1ykn s PHE 131 N -0.62 1.15 0.00 5.38 0.40 -0.58 -1.49 117.98 122.22 1ykn s PHE 131 Ca 0.10 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 1ykn s PHE 131 Cb -0.09 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.80 1ykn s PHE 131 CO -0.00 -0.10 0.00 0.00 0.70 0.00 0.00 175.22 175.81 1ykn n ALA 132 N -0.18 0.00 -1.77 5.36 0.00 -1.26 -0.99 120.51 121.67 1ykn n ALA 132 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1ykn n ALA 132 Cb 0.62 0.00 -0.01 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 3.62 0.00 0.00 1.70 -1.25 -1.40 118.95 119.62 1ykn s ARG 133 Ca 0.00 1.70 0.00 0.00 -0.47 0.00 0.00 55.73 56.96 1ykn s ARG 133 Cb 0.00 -2.26 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 1ykn s ARG 133 CO 0.00 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 1ykn n GLY 134 N 0.32 2.71 3.40 3.88 0.00 -1.26 -4.97 105.19 109.26 1ykn n GLY 134 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.54 5.23 0.16 -0.61 1.01 -0.49 -4.98 121.20 118.98 1ykn s ILE 135 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1ykn s ILE 135 Cb 0.00 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1ykn s ILE 135 CO 0.00 -0.55 1.52 0.78 0.00 0.00 0.00 174.94 176.68 1ykn h ASN 136 N 8.74 0.98 -3.76 3.58 2.35 -1.90 -3.31 115.58 122.25 1ykn h ASN 136 Ca -0.28 -0.42 -0.31 0.00 -0.55 0.00 0.00 56.30 54.74 1ykn h ASN 136 Cb 1.11 -0.27 -0.30 0.00 0.05 0.00 0.00 38.32 38.91 1ykn h ASN 136 CO 0.86 1.21 -0.75 -0.51 -1.65 0.00 0.00 177.43 176.60 1ykn s ILE 137 N -4.49 0.28 0.70 2.81 2.07 -1.26 -3.15 121.20 118.16 1ykn s ILE 137 Ca -0.11 -0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 58.86 1ykn s ILE 137 Cb 0.12 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.46 1ykn s ILE 137 CO 0.87 0.10 1.27 -1.38 -1.91 0.00 0.00 174.94 173.89 1ykn s HIS 138 N 0.18 1.98 -0.20 3.50 -3.43 -1.26 -4.98 115.29 111.08 1ykn s HIS 138 Ca -0.02 1.54 -0.12 0.00 -0.80 0.00 0.00 55.06 55.67 1ykn s HIS 138 Cb -0.05 -3.64 -0.05 0.00 -1.43 0.00 0.00 32.58 27.42 1ykn s HIS 138 CO -0.00 -2.92 0.20 -0.51 -2.00 0.00 0.00 174.74 169.50 1ykn s LEU 139 N -4.80 4.20 -0.09 5.38 1.43 -0.55 -4.89 118.68 119.35 1ykn s LEU 139 Ca 0.80 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1ykn s LEU 139 Cb -0.35 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1ykn s LEU 139 CO 0.43 0.12 0.27 -1.00 0.23 0.00 0.00 176.35 176.40 1ykn s HIS 140 N 0.57 3.60 0.32 0.29 3.76 -1.26 0.09 115.29 122.67 1ykn s HIS 140 Ca 0.11 0.69 -0.07 0.00 -0.15 0.00 0.00 55.06 55.65 1ykn s HIS 140 Cb -0.12 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.42 1ykn s HIS 140 CO 0.01 0.57 0.50 -0.08 -0.85 0.00 0.00 174.74 174.90 1ykn s THR 141 N -0.65 0.00 -0.02 1.30 -1.32 0.71 -0.38 115.64 115.28 1ykn s THR 141 Ca 0.18 -1.49 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 1ykn s THR 141 Cb -0.14 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.30 1ykn s THR 141 CO 0.07 0.00 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.31 1ykn s ARG 142 N -3.22 0.47 -0.33 7.08 0.52 -1.26 -1.37 118.95 120.84 1ykn s ARG 142 Ca 0.27 -0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 55.19 1ykn s ARG 142 Cb -0.01 -0.50 -0.01 0.00 0.52 0.00 0.00 34.95 34.96 1ykn s ARG 142 CO 0.16 0.03 0.48 -1.17 0.02 0.00 0.00 175.30 174.82 1ykn s LEU 143 N 0.29 4.30 0.43 2.53 0.20 -0.08 -4.74 118.68 121.60 1ykn s LEU 143 Ca -0.03 0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.90 1ykn s LEU 143 Cb -0.07 -2.54 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1ykn s LEU 143 CO -0.00 -0.41 0.27 -0.31 -0.29 0.00 0.00 176.35 175.61 1ykn s TYR 144 N 2.30 2.50 0.07 5.38 1.51 0.27 -1.10 117.35 128.29 1ykn s TYR 144 Ca 0.18 -0.60 0.10 0.00 -1.01 0.00 0.00 57.07 55.74 1ykn s TYR 144 Cb -0.16 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1ykn s TYR 144 CO 0.12 -0.00 -0.26 -0.06 -1.11 0.00 0.00 175.55 174.24 1ykn s PHE 145 N -2.59 2.28 -0.95 2.71 0.40 -1.26 0.53 117.98 119.10 1ykn s PHE 145 Ca 0.42 -0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.62 1ykn s PHE 145 Cb 0.01 -1.32 0.93 0.00 0.51 0.00 0.00 43.02 43.15 1ykn s PHE 145 CO 0.24 0.19 1.73 -0.40 0.70 0.00 0.00 175.22 177.68 1ykn n ASP 146 N 1.49 0.27 -0.95 1.36 5.75 -0.97 -2.98 116.55 120.52 1ykn n ASP 146 Ca -0.17 0.27 0.07 0.00 -0.01 0.00 0.00 54.79 54.95 1ykn n ASP 146 Cb 0.52 -0.27 0.21 0.00 -1.03 0.00 0.00 41.12 40.55 1ykn n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ykn n ASP 147 N -1.62 2.76 -1.94 -1.12 5.68 -1.26 -3.79 116.55 115.26 1ykn n ASP 147 Ca 0.06 -2.12 -0.14 0.00 -0.50 0.00 0.00 54.79 52.10 1ykn n ASP 147 Cb 0.35 -0.37 0.05 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.75 2.81 -0.31 0.11 -0.58 -1.16 -4.83 120.64 117.43 1ykn n GLU 148 Ca 0.16 -3.83 0.13 0.00 -0.42 0.00 0.00 57.16 53.20 1ykn n GLU 148 Cb 0.48 -1.96 0.30 0.00 -0.57 0.00 0.00 31.44 29.69 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 2.03 1.48 0.53 0.62 0.00 -1.76 0.11 119.26 122.27 1ykn h ALA 149 Ca 0.19 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ykn h ALA 149 Cb 1.43 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ykn h ALA 149 CO 0.51 -0.26 -0.25 1.96 0.00 0.00 0.00 179.25 181.21 1ykn h GLN 150 N 0.50 -0.68 -0.49 0.00 4.20 -1.94 -2.29 115.11 114.41 1ykn h GLN 150 Ca 0.56 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.44 1ykn h GLN 150 Cb 1.00 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 1ykn h GLN 150 CO -0.48 -0.38 0.35 0.00 -0.67 0.00 0.00 178.83 177.65 1ykn h ALA 151 N -0.85 2.38 0.00 3.87 0.00 -1.85 -2.73 119.26 120.08 1ykn h ALA 151 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ykn h ALA 151 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ykn h ALA 151 CO 0.12 -0.51 -0.33 -0.91 0.00 0.00 0.00 179.25 177.61 1ykn h ASN 152 N 0.06 0.00 0.85 0.00 2.35 -0.60 -2.22 115.58 116.03 1ykn h ASN 152 Ca 0.23 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 1ykn h ASN 152 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1ykn h ASN 152 CO -0.02 0.33 -0.37 0.00 -1.65 0.00 0.00 177.43 175.72 1ykn h ALA 153 N 1.67 0.99 -0.01 -0.83 0.00 -1.09 -3.13 119.26 116.87 1ykn h ALA 153 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ykn h ALA 153 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ykn h ALA 153 CO 0.04 0.47 -0.75 1.63 0.00 0.00 0.00 179.25 180.64 1ykn n LYS 154 N -3.53 0.79 -1.68 0.00 4.76 -1.03 -4.91 118.16 112.56 1ykn n LYS 154 Ca -0.00 -0.36 -0.45 0.00 -2.87 0.00 0.00 58.31 54.63 1ykn n LYS 154 Cb 0.51 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 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 4.71 0.05 -0.10 0.00 -0.04 -1.26 -1.90 135.00 136.45 1ykn n PRO 156 Ca 0.18 0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.63 1ykn n PRO 156 Cb 0.31 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 1ykn n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykn h VAL 157 N 0.00 0.89 -0.86 0.52 2.07 -1.95 -3.27 116.25 113.65 1ykn h VAL 157 Ca 0.00 -2.09 0.13 0.00 0.82 0.00 0.00 66.70 65.57 1ykn h VAL 157 Cb 0.39 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1ykn h VAL 157 CO 0.00 0.30 0.56 0.25 0.02 0.00 0.00 177.57 178.70 1ykn h LEU 158 N -1.00 0.64 -0.39 2.57 5.85 -1.88 0.44 115.31 121.54 1ykn h LEU 158 Ca -0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ykn h LEU 158 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ykn h LEU 158 CO -0.18 0.34 0.00 0.59 -0.34 0.00 0.00 178.44 178.85 1ykn n ASN 159 N -4.54 0.32 0.09 1.25 3.02 -0.80 -1.93 115.26 112.66 1ykn n ASN 159 Ca 0.16 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.42 1ykn n ASN 159 Cb 0.44 -0.65 0.45 0.00 -0.61 0.00 0.00 39.78 39.41 1ykn n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykn n LEU 160 N -1.86 0.59 -4.60 3.41 4.77 0.15 -4.63 117.00 114.83 1ykn n LEU 160 Ca 0.02 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1ykn n LEU 160 Cb 0.17 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1ykn n LEU 160 CO 0.15 -0.28 0.79 -0.63 -1.33 0.00 0.00 177.39 176.09 1ykn s ILE 161 N -3.15 4.52 0.21 -0.08 1.01 -0.81 -4.97 121.20 117.93 1ykn s ILE 161 Ca 0.09 1.11 -0.09 0.00 0.00 0.00 0.00 60.65 61.76 1ykn s ILE 161 Cb 0.12 -4.39 0.16 0.00 0.01 0.00 0.00 42.46 38.36 1ykn s ILE 161 CO 0.50 -0.65 1.75 -0.33 0.00 0.00 0.00 174.94 176.20 1ykn h GLU 162 N 8.67 0.42 -4.83 2.79 5.08 -1.88 -3.41 114.58 121.43 1ykn h GLU 162 Ca -0.23 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.41 1ykn h GLU 162 Cb 1.08 -0.10 -0.19 0.00 0.50 0.00 0.00 28.75 30.04 1ykn h GLU 162 CO 1.01 0.28 -0.27 -0.65 -1.00 0.00 0.00 179.01 178.38 1ykn s GLN 163 N -6.08 3.21 0.33 2.33 -1.52 -1.26 -4.96 119.66 111.70 1ykn s GLN 163 Ca -0.13 -0.70 0.10 0.00 -1.95 0.00 0.00 55.36 52.68 1ykn s GLN 163 Cb 0.17 -3.92 0.98 0.00 -0.22 0.00 0.00 33.01 30.02 1ykn s GLN 163 CO 0.75 -0.74 1.63 -1.35 -0.25 0.00 0.00 175.29 175.33 1ykn h PRO 164 N 8.64 0.18 -0.86 2.91 0.11 -1.99 0.14 132.00 141.13 1ykn h PRO 164 Ca -0.27 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ykn h PRO 164 Cb 1.12 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1ykn h PRO 164 CO 0.76 0.12 0.57 1.96 -0.21 0.00 0.00 178.00 181.19 1ykn h GLN 165 N 0.19 1.09 -0.24 1.05 7.50 -1.96 -2.14 115.11 120.60 1ykn h GLN 165 Ca 0.68 -0.07 -0.10 0.00 0.50 0.00 0.00 58.65 59.67 1ykn h GLN 165 Cb 1.55 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 28.82 1ykn h GLN 165 CO -0.69 0.72 -0.27 0.00 -1.50 0.00 0.00 178.83 177.09 1ykn h ARG 166 N 1.13 0.47 -0.61 1.46 3.08 -1.12 -3.11 114.38 115.67 1ykn h ARG 166 Ca 0.33 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1ykn h ARG 166 Cb -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1ykn h ARG 166 CO -0.08 0.70 0.40 0.00 -1.07 0.00 0.00 179.97 179.92 1ykn h ARG 167 N 0.41 0.81 -0.68 0.04 3.08 -1.28 -1.64 114.38 115.12 1ykn h ARG 167 Ca 0.06 -0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.25 1ykn h ARG 167 Cb 0.69 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1ykn h ARG 167 CO 0.05 0.54 0.57 0.93 -1.07 0.00 0.00 179.97 180.99 1ykn h GLU 168 N 0.83 0.00 0.00 0.04 5.08 -1.46 -1.67 114.58 117.40 1ykn h GLU 168 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ykn h GLU 168 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1ykn h GLU 168 CO -0.05 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.75 1ykn h THR 169 N 0.00 0.00 -0.21 1.13 1.35 -1.41 -2.39 112.91 111.37 1ykn h THR 169 Ca 0.32 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1ykn h THR 169 Cb 1.45 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1ykn h THR 169 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 1ykn n LEU 170 N -3.06 1.38 -4.19 3.87 4.77 -0.63 -4.84 117.00 114.30 1ykn n LEU 170 Ca -0.02 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 1ykn n LEU 170 Cb 0.16 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1ykn n LEU 170 CO 0.23 0.32 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.61 1ykn s ILE 171 N -1.72 2.99 0.20 -0.08 1.01 -0.90 -0.56 121.20 122.14 1ykn s ILE 171 Ca 0.24 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1ykn s ILE 171 Cb 0.12 -2.62 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 1ykn s ILE 171 CO 0.18 0.04 1.23 0.00 0.00 0.00 0.00 174.94 176.38 1ykn s ALA 172 N 1.30 3.46 -0.25 9.38 0.00 0.19 -4.88 121.76 130.96 1ykn s ALA 172 Ca -0.03 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 1ykn s ALA 172 Cb -0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1ykn s ALA 172 CO -0.02 -0.42 0.57 0.15 0.00 0.00 0.00 175.76 176.04 1ykn s LYS 173 N -0.37 4.11 0.29 0.00 -0.14 -0.55 -2.28 119.74 120.80 1ykn s LYS 173 Ca 0.53 0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 55.29 1ykn s LYS 173 Cb -0.34 -3.64 -0.11 0.00 -1.68 0.00 0.00 37.83 32.06 1ykn s LYS 173 CO 0.38 -0.35 1.56 0.50 -0.76 0.00 0.00 175.35 176.68 1ykn s ARG 174 N 2.31 4.15 0.00 1.68 3.52 -1.26 -0.29 118.95 129.05 1ykn s ARG 174 Ca 0.24 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 1ykn s ARG 174 Cb -0.16 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1ykn s ARG 174 CO 0.09 -0.59 0.00 0.00 -0.81 0.00 0.00 175.30 173.99 1ykn s GLU 176 N -0.18 0.29 -0.22 0.00 2.02 -1.26 -2.41 118.70 116.94 1ykn s GLU 176 Ca 0.00 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.48 1ykn s GLU 176 Cb 0.00 0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.32 1ykn s GLU 176 CO 0.00 -0.10 -0.01 0.08 0.02 0.00 0.00 175.26 175.24 1ykn s VAL 177 N 0.75 1.08 -1.37 2.63 1.01 -1.08 -4.91 120.40 118.50 1ykn s VAL 177 Ca -0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1ykn s VAL 177 Cb -0.06 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1ykn s VAL 177 CO -0.05 -0.15 1.04 0.47 0.00 0.00 0.00 175.10 176.41 1ykn n ASP 178 N 4.84 -4.48 0.00 3.32 8.00 -1.26 -2.48 116.55 124.49 1ykn n ASP 178 Ca -0.11 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1ykn n ASP 178 Cb 0.45 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 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 -1.71 2.76 3.69 0.44 0.00 -1.26 -4.98 105.19 104.13 1ykn n GLY 179 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.06 4.36 0.22 1.61 2.47 -1.03 -5.03 119.74 122.28 1ykn s LYS 180 Ca 0.00 1.73 -0.32 0.00 -1.56 0.00 0.00 55.97 55.82 1ykn s LYS 180 Cb 0.00 -3.52 -0.12 0.00 -1.46 0.00 0.00 37.83 32.73 1ykn s LYS 180 CO 0.00 -0.43 1.71 2.41 0.16 0.00 0.00 175.35 179.20 1ykn n THR 181 N 4.50 0.16 -4.03 3.43 -1.04 -1.26 -2.64 114.28 113.40 1ykn n THR 181 Ca 0.11 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 1ykn n THR 181 Cb 0.46 -1.99 -0.13 0.00 -1.82 0.00 0.00 70.33 66.85 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 0.99 0.31 -0.04 2.41 0.00 -1.01 -1.66 121.76 122.76 1ykn s ALA 182 Ca 0.73 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.38 1ykn s ALA 182 Cb -0.50 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1ykn s ALA 182 CO 0.35 -0.00 -0.24 0.71 0.00 0.00 0.00 175.76 176.57 1ykn s TYR 183 N -0.68 2.42 -0.14 0.00 1.51 -0.05 -0.79 117.35 119.62 1ykn s TYR 183 Ca -0.05 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1ykn s TYR 183 Cb -0.05 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1ykn s TYR 183 CO -0.00 -0.05 0.02 0.50 -1.11 0.00 0.00 175.55 174.90 1ykn s ARG 184 N -0.50 3.52 -0.24 -0.62 3.52 0.61 -1.47 118.95 123.76 1ykn s ARG 184 Ca 0.07 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1ykn s ARG 184 Cb -0.11 -2.98 0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1ykn s ARG 184 CO 0.00 0.44 0.09 0.12 -0.81 0.00 0.00 175.30 175.15 1ykn s PHE 185 N -0.14 0.69 0.06 5.12 5.36 0.24 -1.48 117.98 127.83 1ykn s PHE 185 Ca 0.05 -0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 55.03 1ykn s PHE 185 Cb -0.12 -1.02 -0.06 0.00 -0.34 0.00 0.00 43.02 41.48 1ykn s PHE 185 CO 0.02 -0.71 0.38 -0.51 -1.46 0.00 0.00 175.22 172.94 1ykn s ASP 186 N 1.97 6.64 -0.17 6.13 1.01 -1.26 -3.91 116.67 127.08 1ykn s ASP 186 Ca 0.05 0.78 -0.03 0.00 0.71 0.00 0.00 52.55 54.06 1ykn s ASP 186 Cb -0.16 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1ykn s ASP 186 CO -0.22 0.20 -0.05 -0.63 0.21 0.00 0.00 175.17 174.68 1ykn s ILE 187 N -1.36 3.68 -0.31 0.77 1.01 -0.06 -4.97 121.20 119.97 1ykn s ILE 187 Ca 0.31 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1ykn s ILE 187 Cb -0.14 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.77 1ykn s ILE 187 CO 0.17 0.48 0.02 -0.13 0.00 0.00 0.00 174.94 175.49 1ykn s ARG 188 N 0.60 2.40 0.16 2.79 0.52 -1.26 -1.29 118.95 122.86 1ykn s ARG 188 Ca -0.03 -1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 53.74 1ykn s ARG 188 Cb -0.15 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.13 1ykn s ARG 188 CO 0.03 -0.66 1.65 0.82 0.02 0.00 0.00 175.30 177.15 1ykn h ILE 189 N 6.44 1.25 -3.75 1.52 2.04 -1.18 0.15 117.51 123.99 1ykn h ILE 189 Ca -0.20 -0.92 -0.17 0.00 1.00 0.00 0.00 64.86 64.57 1ykn h ILE 189 Cb 1.06 0.83 -0.22 0.00 -0.74 0.00 0.00 36.82 37.74 1ykn h ILE 189 CO 0.55 0.33 -0.62 -1.58 0.00 0.00 0.00 178.15 176.83 1ykn s GLN 190 N -5.23 0.31 0.00 2.37 0.74 -1.26 -4.77 119.66 111.81 1ykn s GLN 190 Ca -0.13 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1ykn s GLN 190 Cb 0.12 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1ykn s GLN 190 CO 0.81 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.90 1ykn n GLY 191 N 1.89 0.13 3.71 2.59 0.00 -1.26 -4.01 105.19 108.24 1ykn n GLY 191 Ca -0.21 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 4.49 -0.62 1.61 2.12 -1.26 -1.58 118.70 123.46 1ykn s GLU 192 Ca 0.00 1.64 0.00 0.00 0.36 0.00 0.00 54.97 56.97 1ykn s GLU 192 Cb 0.00 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1ykn s GLU 192 CO 0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1ykn n GLY 193 N 3.04 0.82 3.67 -1.50 0.00 -1.26 -4.94 105.19 105.02 1ykn n GLY 193 Ca 0.08 -0.58 -0.55 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.57 1.33 -1.66 1.61 2.13 -0.61 -4.68 120.64 116.19 1ykn n GLU 194 Ca -0.06 0.48 -0.44 0.00 0.66 0.00 0.00 57.16 57.80 1ykn n GLU 194 Cb 0.23 -2.25 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 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 5.09 1.51 -2.13 6.31 -1.04 0.54 -4.95 114.28 119.61 1ykn n THR 195 Ca 0.28 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 1ykn n THR 195 Cb 0.17 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.26 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 -0.62 2.77 0.01 12.58 1.01 -1.26 -4.95 120.40 129.93 1ykn s VAL 196 Ca 0.62 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.39 1ykn s VAL 196 Cb -0.64 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1ykn s VAL 196 CO 0.56 0.14 -0.20 -0.36 0.00 0.00 0.00 175.10 175.24 1ykn s PHE 197 N -1.22 1.77 0.33 5.22 0.08 -1.26 -4.77 117.98 118.12 1ykn s PHE 197 Ca 0.53 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 57.30 1ykn s PHE 197 Cb -0.38 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 1ykn s PHE 197 CO 0.49 0.02 0.42 -0.06 -0.10 0.00 0.00 175.22 175.99 1ykn s PHE 198 N -0.60 3.08 -0.02 0.36 0.08 0.48 -5.00 117.98 116.37 1ykn s PHE 198 Ca 0.07 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.92 1ykn s PHE 198 Cb -0.08 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1ykn s PHE 198 CO 0.00 0.06 -0.07 0.34 -0.10 0.00 0.00 175.22 175.46 1ykn s ASP 199 N -4.12 0.98 0.00 1.36 3.68 -1.26 -4.37 116.67 112.94 1ykn s ASP 199 Ca 0.43 -0.15 0.00 0.00 2.13 0.00 0.00 52.55 54.97 1ykn s ASP 199 Cb -0.09 -0.27 0.00 0.00 -1.45 0.00 0.00 42.92 41.11 1ykn s ASP 199 CO 0.30 0.04 0.00 2.22 0.13 0.00 0.00 175.17 177.86