#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux s SER 2 N 0.00 -0.24 -0.11 1.61 1.04 -1.26 -5.19 113.70 109.55 2yux s SER 2 Ca 0.00 -0.36 -0.32 0.00 0.48 0.00 0.00 55.95 55.74 2yux s SER 2 Cb 0.00 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.77 2yux s SER 2 CO 0.00 -0.96 1.11 -0.94 0.98 0.00 0.00 173.24 173.43 2yux s SER 3 N -2.86 -0.20 0.00 7.02 1.04 -1.26 -5.18 113.70 112.26 2yux s SER 3 Ca 0.10 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2yux s SER 3 Cb -0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2yux s SER 3 CO 0.01 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2yux n GLY 4 N -0.19 -0.36 3.26 7.32 0.00 -1.26 -5.16 105.19 108.81 2yux n GLY 4 Ca -0.03 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2yux n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yux s SER 5 N -4.00 -0.08 0.29 1.61 1.04 -1.26 -5.18 113.70 106.12 2yux s SER 5 Ca 0.00 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.05 2yux s SER 5 Cb 0.00 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 2yux s SER 5 CO 0.00 -0.75 0.07 -0.55 0.98 0.00 0.00 173.24 172.99 2yux s SER 6 N -2.64 1.81 0.00 7.02 0.15 -1.26 -4.93 113.70 113.85 2yux s SER 6 Ca 0.02 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2yux s SER 6 Cb 0.02 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2yux s SER 6 CO -0.10 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.29 2yux n GLY 7 N -0.58 2.01 3.02 9.45 0.00 -1.26 -4.93 105.19 112.91 2yux n GLY 7 Ca -0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2yux n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yux n ALA 8 N 0.00 -2.82 -1.46 4.61 0.00 -1.26 -4.78 120.51 114.79 2yux n ALA 8 Ca 0.00 0.69 -0.47 0.00 0.00 0.00 0.00 53.44 53.66 2yux n ALA 8 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 2yux n ALA 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yux n SER 9 N 0.15 -0.40 -4.71 0.00 7.64 -1.26 -4.83 113.62 110.20 2yux n SER 9 Ca 0.03 1.15 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 2yux n SER 9 Cb 0.42 -1.06 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2yux n SER 9 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2yux s ILE 10 N -1.00 3.74 0.11 0.44 2.07 -1.26 -5.00 121.20 120.29 2yux s ILE 10 Ca 0.63 1.25 -0.17 0.00 -1.41 0.00 0.00 60.65 60.94 2yux s ILE 10 Cb -0.86 -3.80 0.04 0.00 0.13 0.00 0.00 42.46 37.97 2yux s ILE 10 CO 0.57 0.10 0.42 -1.81 -1.91 0.00 0.00 174.94 172.31 2yux s ASP 11 N 1.08 -0.28 -1.16 4.50 1.11 -1.26 -5.07 116.67 115.59 2yux s ASP 11 Ca 0.61 -0.21 -0.21 0.00 0.18 0.00 0.00 52.55 52.92 2yux s ASP 11 Cb -0.32 0.48 0.01 0.00 1.07 0.00 0.00 42.92 44.15 2yux s ASP 11 CO 0.30 -0.82 1.75 -0.63 1.18 0.00 0.00 175.17 176.94 2yux s ILE 12 N -3.49 3.85 0.16 0.77 1.01 -1.26 -4.95 121.20 117.29 2yux s ILE 12 Ca 0.01 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.32 2yux s ILE 12 Cb 0.01 -4.86 -0.07 0.00 0.01 0.00 0.00 42.46 37.55 2yux s ILE 12 CO -0.10 -1.62 0.52 0.00 0.00 0.00 0.00 174.94 173.75 2yux s GLN 13 N 5.31 3.89 0.00 2.79 -2.07 -1.26 -5.08 119.66 123.24 2yux s GLN 13 Ca 0.58 0.38 0.00 0.00 -1.82 0.00 0.00 55.36 54.50 2yux s GLN 13 Cb 0.01 -2.87 0.00 0.00 -1.09 0.00 0.00 33.01 29.05 2yux s GLN 13 CO 0.04 0.45 0.00 -0.89 -1.32 0.00 0.00 175.29 173.57 2yux n ILE 14 N 0.58 0.00 -3.46 3.63 5.41 -1.26 -4.96 119.36 119.30 2yux n ILE 14 Ca -0.04 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.45 2yux n ILE 14 Cb 0.52 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.46 2yux n ILE 14 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yux n ILE 15 N 0.00 -2.92 -4.12 1.39 2.08 -1.26 -4.79 119.36 109.73 2yux n ILE 15 Ca 0.00 0.01 -0.28 0.00 0.56 0.00 0.00 62.75 63.05 2yux n ILE 15 Cb 0.00 -2.63 -0.03 0.00 -0.75 0.00 0.00 39.64 36.23 2yux n ILE 15 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 2yux s ASP 16 N -2.29 4.49 -0.15 4.38 -4.77 -1.26 -4.20 116.67 112.87 2yux s ASP 16 Ca 0.11 -1.34 -0.10 0.00 -3.30 0.00 0.00 52.55 47.92 2yux s ASP 16 Cb -0.01 0.40 0.04 0.00 -1.09 0.00 0.00 42.92 42.25 2yux s ASP 16 CO 0.76 -1.01 0.20 0.54 0.70 0.00 0.00 175.17 176.36 2yux n ARG 17 N -1.61 -4.38 0.17 2.11 1.74 -1.26 -4.85 116.66 108.57 2yux n ARG 17 Ca -0.06 3.30 0.13 0.00 -0.77 0.00 0.00 57.85 60.45 2yux n ARG 17 Cb 0.65 -4.63 0.44 0.00 -1.02 0.00 0.00 32.46 27.90 2yux n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2yux h PRO 18 N 4.25 0.00 0.00 5.56 0.13 -1.90 -3.49 132.00 136.54 2yux h PRO 18 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2yux h PRO 18 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2yux h PRO 18 CO 0.01 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.19 2yux n GLY 19 N 0.63 -1.58 3.78 1.56 0.00 -1.26 -4.77 105.19 103.55 2yux n GLY 19 Ca 0.03 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2yux n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yux s PRO 20 N 0.00 0.53 0.60 1.61 0.04 -1.26 -3.95 135.00 132.57 2yux s PRO 20 Ca 0.00 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 60.94 2yux s PRO 20 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2yux s PRO 20 CO 0.00 -2.56 1.05 -1.25 0.04 0.00 0.00 177.00 174.28 2yux s PRO 21 N -5.45 3.33 0.11 0.56 0.04 -1.26 -4.78 135.00 127.55 2yux s PRO 21 Ca 0.68 1.14 -0.34 0.00 0.04 0.00 0.00 61.00 62.52 2yux s PRO 21 Cb -0.11 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2yux s PRO 21 CO 0.54 -0.79 1.56 1.96 0.04 0.00 0.00 177.00 180.30 2yux h GLN 22 N 0.33 -0.72 -3.92 4.56 4.20 -1.61 -3.45 115.11 114.51 2yux h GLN 22 Ca -0.46 0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.20 2yux h GLN 22 Cb 1.21 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 29.02 2yux h GLN 22 CO 0.58 -0.48 -0.42 -1.50 -0.67 0.00 0.00 178.83 176.33 2yux s ILE 23 N -5.79 0.14 -0.13 2.54 -1.16 -1.26 -4.96 121.20 110.59 2yux s ILE 23 Ca -0.16 -1.34 -0.03 0.00 -0.51 0.00 0.00 60.65 58.61 2yux s ILE 23 Cb 0.06 -1.48 0.04 0.00 0.61 0.00 0.00 42.46 41.70 2yux s ILE 23 CO 0.61 -0.64 0.04 -0.69 -2.81 0.00 0.00 174.94 171.45 2yux s VAL 24 N -3.90 0.25 0.43 4.00 1.01 -1.26 -0.35 120.40 120.59 2yux s VAL 24 Ca 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2yux s VAL 24 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2yux s VAL 24 CO -0.09 -0.01 0.05 -0.54 0.00 0.00 0.00 175.10 174.51 2yux s LYS 25 N 2.00 1.99 -0.34 2.72 1.02 0.55 -4.02 119.74 123.67 2yux s LYS 25 Ca 0.03 -2.21 0.03 0.00 0.02 0.00 0.00 55.97 53.83 2yux s LYS 25 Cb -0.14 -1.18 0.09 0.00 -0.52 0.00 0.00 37.83 36.08 2yux s LYS 25 CO -0.07 -0.31 0.05 0.42 -0.92 0.00 0.00 175.35 174.52 2yux s ILE 26 N -3.01 2.40 0.30 2.17 1.01 -1.26 0.19 121.20 123.00 2yux s ILE 26 Ca 0.21 -2.20 0.06 0.00 0.00 0.00 0.00 60.65 58.72 2yux s ILE 26 Cb 0.04 -2.71 0.37 0.00 0.01 0.00 0.00 42.46 40.18 2yux s ILE 26 CO 0.11 -0.53 1.44 1.21 0.00 0.00 0.00 174.94 177.17 2yux n GLU 27 N 4.32 -0.07 0.00 2.79 0.00 0.11 -4.79 120.64 123.01 2yux n GLU 27 Ca 0.01 1.35 0.00 0.00 0.00 0.00 0.00 57.16 58.51 2yux n GLU 27 Cb 0.42 -2.21 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2yux n GLU 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2yux n ASP 28 N -5.29 0.00 -3.68 4.31 9.92 -1.15 -4.99 116.55 115.67 2yux n ASP 28 Ca 0.25 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.38 2yux n ASP 28 Cb 0.82 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.17 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2yux s VAL 29 N -2.00 -0.32 0.06 2.53 0.11 -1.26 0.13 120.40 119.64 2yux s VAL 29 Ca 0.00 0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 2yux s VAL 29 Cb 0.00 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2yux s VAL 29 CO 0.00 0.10 -0.13 -1.66 -3.33 0.00 0.00 175.10 170.08 2yux s TRP 30 N 2.12 1.13 0.00 1.54 -2.14 0.56 -4.58 118.94 117.58 2yux s TRP 30 Ca -0.02 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.31 2yux s TRP 30 Cb -0.11 -0.65 0.00 0.00 -3.10 0.00 0.00 33.47 29.61 2yux s TRP 30 CO -0.09 0.03 0.00 0.41 -2.66 0.00 0.00 176.95 174.64 2yux n GLY 31 N 1.48 1.89 1.29 3.67 0.00 0.26 0.93 105.19 114.71 2yux n GLY 31 Ca -0.20 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2yux n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yux n GLU 32 N 12.62 2.54 -4.32 1.61 1.02 -1.26 -3.76 120.64 129.09 2yux n GLU 32 Ca 0.00 -3.04 -0.28 0.00 -0.02 0.00 0.00 57.16 53.83 2yux n GLU 32 Cb 0.00 -1.92 -0.17 0.00 -0.02 0.00 0.00 31.44 29.33 2yux n GLU 32 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yux s ASN 33 N -2.00 2.30 0.24 1.62 0.01 0.27 -3.64 114.94 113.73 2yux s ASN 33 Ca 0.46 -0.39 0.07 0.00 -0.71 0.00 0.00 52.86 52.30 2yux s ASN 33 Cb 0.40 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 2yux s ASN 33 CO 0.06 -0.02 0.15 -0.69 -1.51 0.00 0.00 177.10 175.09 2yux s VAL 34 N 1.13 4.27 -0.14 1.60 1.01 -0.86 -0.32 120.40 127.09 2yux s VAL 34 Ca -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2yux s VAL 34 Cb -0.14 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2yux s VAL 34 CO -0.03 -0.31 -0.15 0.00 0.00 0.00 0.00 175.10 174.61 2yux s ALA 35 N -2.09 1.87 0.11 5.51 0.00 0.35 -1.36 121.76 126.14 2yux s ALA 35 Ca 0.32 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2yux s ALA 35 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2yux s ALA 35 CO 0.24 -0.32 0.12 -0.51 0.00 0.00 0.00 175.76 175.28 2yux s LEU 36 N 1.38 3.89 -0.24 0.00 1.43 -1.15 0.08 118.68 124.07 2yux s LEU 36 Ca 0.03 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2yux s LEU 36 Cb -0.13 -2.53 0.13 0.00 0.03 0.00 0.00 46.19 43.68 2yux s LEU 36 CO -0.09 0.13 0.34 0.42 0.23 0.00 0.00 176.35 177.38 2yux s THR 37 N -1.53 -0.52 0.16 5.49 -4.23 0.50 -3.86 115.64 111.65 2yux s THR 37 Ca 0.31 -0.14 0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2yux s THR 37 Cb -0.12 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2yux s THR 37 CO 0.23 -0.19 -0.17 -1.66 -0.54 0.00 0.00 174.62 172.30 2yux s TRP 38 N 2.48 2.50 0.30 3.99 -2.14 -1.20 0.21 118.94 125.08 2yux s TRP 38 Ca 0.11 -0.28 0.02 0.00 2.66 0.00 0.00 56.10 58.61 2yux s TRP 38 Cb -0.15 -1.26 -0.03 0.00 -3.10 0.00 0.00 33.47 28.92 2yux s TRP 38 CO -0.18 0.47 0.47 0.95 -2.66 0.00 0.00 176.95 176.00 2yux s THR 39 N -1.51 5.17 0.78 0.66 -4.23 0.53 -4.85 115.64 112.19 2yux s THR 39 Ca 0.21 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 2yux s THR 39 Cb -0.09 -3.85 0.06 0.00 1.34 0.00 0.00 72.50 69.96 2yux s THR 39 CO 0.12 -0.45 1.09 -2.16 -0.54 0.00 0.00 174.62 172.68 2yux s PRO 40 N -4.13 2.20 0.48 3.99 0.04 -1.26 -3.03 135.00 133.28 2yux s PRO 40 Ca 0.38 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 2yux s PRO 40 Cb -0.09 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2yux s PRO 40 CO 0.33 -1.55 1.04 -1.25 0.04 0.00 0.00 177.00 175.61 2yux s PRO 41 N -5.14 3.84 0.00 0.56 0.04 -1.26 -3.66 135.00 129.38 2yux s PRO 41 Ca 0.60 1.38 0.27 0.00 0.04 0.00 0.00 61.00 63.29 2yux s PRO 41 Cb -0.14 -2.15 0.85 0.00 0.04 0.00 0.00 34.50 33.09 2yux s PRO 41 CO 0.54 -0.40 1.63 1.63 0.04 0.00 0.00 177.00 180.44 2yux n LYS 42 N -0.86 0.55 -3.67 4.56 5.02 -1.26 -4.57 118.16 117.93 2yux n LYS 42 Ca 0.09 -0.28 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 2yux n LYS 42 Cb 0.52 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 2yux n LYS 42 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2yux s ASP 43 N -2.64 5.45 -0.38 4.39 2.15 -1.26 -4.97 116.67 119.40 2yux s ASP 43 Ca 0.22 -2.41 0.02 0.00 0.43 0.00 0.00 52.55 50.81 2yux s ASP 43 Cb 0.19 -1.90 0.16 0.00 -0.30 0.00 0.00 42.92 41.06 2yux s ASP 43 CO 0.55 -0.50 0.31 1.51 -0.17 0.00 0.00 175.17 176.87 2yux s ASP 44 N 1.54 1.92 0.00 -0.34 -4.77 -1.26 -4.71 116.67 109.05 2yux s ASP 44 Ca 0.12 -2.37 0.00 0.00 -3.30 0.00 0.00 52.55 47.00 2yux s ASP 44 Cb -0.21 -0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.47 2yux s ASP 44 CO -0.03 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2yux n GLY 45 N 3.61 -0.18 2.77 2.12 0.00 -1.26 -4.92 105.19 107.33 2yux n GLY 45 Ca 0.18 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2yux n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yux n ASN 46 N -2.16 6.85 0.00 1.61 4.13 -1.26 -4.95 115.26 119.48 2yux n ASN 46 Ca 0.00 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.45 2yux n ASN 46 Cb 0.00 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yux n ALA 47 N -0.55 0.00 -3.67 5.41 0.00 -1.26 -4.26 120.51 116.18 2yux n ALA 47 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 2yux n ALA 47 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.66 2yux n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yux s ALA 48 N -2.00 1.07 -0.35 0.00 0.00 -1.26 -4.97 121.76 114.25 2yux s ALA 48 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 51.96 50.39 2yux s ALA 48 Cb 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 23.12 21.56 2yux s ALA 48 CO 0.00 -1.52 2.00 -0.89 0.00 0.00 0.00 175.76 175.35 2yux n ILE 49 N 5.04 0.21 0.08 0.00 -0.00 -1.26 -4.23 119.36 119.19 2yux n ILE 49 Ca -0.05 -0.13 -0.19 0.00 -0.00 0.00 0.00 62.75 62.37 2yux n ILE 49 Cb 0.44 -1.28 -0.15 0.00 -0.00 0.00 0.00 39.64 38.65 2yux n ILE 49 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2yux h THR 50 N 6.32 1.11 0.00 1.39 2.02 -1.36 -3.47 112.91 118.92 2yux h THR 50 Ca -0.32 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.15 2yux h THR 50 Cb 1.34 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.54 2yux h THR 50 CO 1.01 0.83 0.00 0.61 0.37 0.00 0.00 175.52 178.34 2yux n GLY 51 N 1.73 -0.93 3.62 2.16 0.00 -1.18 -4.84 105.19 105.75 2yux n GLY 51 Ca -0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2yux n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yux s TYR 52 N -4.00 -0.36 0.13 1.61 2.02 -1.26 -1.39 117.35 114.10 2yux s TYR 52 Ca 0.00 0.05 0.10 0.00 -0.37 0.00 0.00 57.07 56.85 2yux s TYR 52 Cb 0.00 0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 42.14 2yux s TYR 52 CO 0.00 -0.98 -0.25 0.99 -1.57 0.00 0.00 175.55 173.74 2yux s THR 53 N -3.74 2.12 -0.02 -0.71 2.01 -1.26 -2.26 115.64 111.79 2yux s THR 53 Ca 0.06 -1.74 0.04 0.00 0.31 0.00 0.00 61.69 60.36 2yux s THR 53 Cb -0.03 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2yux s THR 53 CO -0.04 0.02 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.16 2yux s ILE 54 N -1.18 1.03 -0.12 1.82 1.09 -1.18 -1.94 121.20 120.71 2yux s ILE 54 Ca 0.13 -0.52 -0.05 0.00 -1.10 0.00 0.00 60.65 59.10 2yux s ILE 54 Cb -0.10 -0.88 0.06 0.00 -1.06 0.00 0.00 42.46 40.48 2yux s ILE 54 CO 0.06 0.30 0.25 -1.10 -0.10 0.00 0.00 174.94 174.35 2yux s GLN 55 N -0.09 0.17 0.28 2.79 -0.21 -0.89 -1.73 119.66 119.98 2yux s GLN 55 Ca 0.01 0.64 0.09 0.00 0.02 0.00 0.00 55.36 56.12 2yux s GLN 55 Cb -0.07 -0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 2yux s GLN 55 CO 0.00 -0.23 0.07 -1.59 -2.12 0.00 0.00 175.29 171.42 2yux s LYS 56 N 1.87 2.45 0.11 2.91 -2.85 -1.25 -1.28 119.74 121.70 2yux s LYS 56 Ca -0.04 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.45 2yux s LYS 56 Cb -0.11 -2.25 0.01 0.00 -2.06 0.00 0.00 37.83 33.42 2yux s LYS 56 CO -0.08 0.33 0.29 0.00 0.10 0.00 0.00 175.35 175.98 2yux s ALA 57 N -2.30 -0.49 0.30 0.59 0.00 -1.04 -1.83 121.76 116.99 2yux s ALA 57 Ca 0.33 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.92 2yux s ALA 57 Cb -0.06 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2yux s ALA 57 CO 0.21 -0.59 0.43 0.16 0.00 0.00 0.00 175.76 175.98 2yux s ASP 58 N -2.85 6.12 -0.25 0.00 1.47 -1.24 -1.62 116.67 118.30 2yux s ASP 58 Ca 0.06 -0.06 0.04 0.00 1.18 0.00 0.00 52.55 53.77 2yux s ASP 58 Cb 0.03 -1.51 0.45 0.00 -0.34 0.00 0.00 42.92 41.55 2yux s ASP 58 CO -0.10 -0.29 1.50 0.29 0.68 0.00 0.00 175.17 177.26 2yux n LYS 59 N -1.56 2.28 -0.08 2.11 4.76 -1.22 -1.28 118.16 123.17 2yux n LYS 59 Ca -0.04 -1.94 -0.13 0.00 -2.87 0.00 0.00 58.31 53.33 2yux n LYS 59 Cb 0.58 -1.82 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 2yux n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2yux n LYS 60 N -0.28 0.41 -0.46 1.97 4.01 -1.26 -4.78 118.16 117.76 2yux n LYS 60 Ca 0.32 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2yux n LYS 60 Cb 1.14 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2yux n SER 61 N -3.14 0.00 -3.87 4.39 7.64 -1.25 -5.00 113.62 112.40 2yux n SER 61 Ca -0.30 -1.75 -0.32 0.00 1.01 0.00 0.00 58.87 57.51 2yux n SER 61 Cb 0.80 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 2yux n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yux n MET 62 N 0.00 -1.02 -2.60 1.43 2.81 -0.40 -4.81 117.12 112.53 2yux n MET 62 Ca 0.00 0.10 -0.43 0.00 -1.81 0.00 0.00 57.70 55.57 2yux n MET 62 Cb 0.65 -4.04 -0.02 0.00 -0.71 0.00 0.00 33.22 29.10 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2yux s GLU 63 N -6.10 4.31 -0.20 0.03 2.02 -1.26 -4.82 118.70 112.69 2yux s GLU 63 Ca 0.62 1.46 -0.16 0.00 0.02 0.00 0.00 54.97 56.91 2yux s GLU 63 Cb -0.36 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2yux s GLU 63 CO 0.77 -0.53 0.42 -1.58 0.02 0.00 0.00 175.26 174.36 2yux s TRP 64 N 2.77 3.37 -0.18 1.61 0.52 -1.26 -3.64 118.94 122.13 2yux s TRP 64 Ca 0.49 0.65 0.00 0.00 0.02 0.00 0.00 56.10 57.26 2yux s TRP 64 Cb -0.18 -2.56 0.04 0.00 -1.15 0.00 0.00 33.47 29.62 2yux s TRP 64 CO 0.13 -0.03 -0.10 -0.06 0.02 0.00 0.00 176.95 176.91 2yux s PHE 65 N 1.38 2.22 -0.47 -1.98 0.40 -0.76 -5.00 117.98 113.77 2yux s PHE 65 Ca 0.20 -1.41 -0.46 0.00 -0.60 0.00 0.00 56.93 54.66 2yux s PHE 65 Cb -0.15 -1.56 -0.19 0.00 0.51 0.00 0.00 43.02 41.62 2yux s PHE 65 CO 0.08 -0.70 1.69 2.41 0.70 0.00 0.00 175.22 179.40 2yux n THR 66 N 4.74 0.04 -0.11 0.64 -1.04 -1.26 -3.82 114.28 113.46 2yux n THR 66 Ca -0.15 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 2yux n THR 66 Cb 0.48 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 68.28 2yux n THR 66 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2yux n VAL 67 N 4.40 1.53 -3.88 12.58 0.31 -0.71 -4.99 118.33 127.57 2yux n VAL 67 Ca 0.33 -0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2yux n VAL 67 Cb -0.03 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 30.82 2yux n VAL 67 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2yux s ILE 68 N -2.40 0.06 -0.07 2.52 2.07 -1.16 -5.02 121.20 117.21 2yux s ILE 68 Ca -0.31 -1.18 -0.14 0.00 -1.41 0.00 0.00 60.65 57.61 2yux s ILE 68 Cb 0.08 -1.72 0.03 0.00 0.13 0.00 0.00 42.46 40.98 2yux s ILE 68 CO 0.56 -0.27 0.33 -1.61 -1.91 0.00 0.00 174.94 172.04 2yux s GLU 69 N -3.93 0.55 -1.11 3.50 2.02 -1.26 -3.12 118.70 115.35 2yux s GLU 69 Ca 0.14 0.12 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 2yux s GLU 69 Cb 0.02 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 2yux s GLU 69 CO -0.02 -0.12 0.90 0.72 0.02 0.00 0.00 175.26 176.76 2yux n HIS 70 N 2.01 -2.31 -1.28 1.61 8.25 -1.21 -5.01 115.22 117.29 2yux n HIS 70 Ca -0.18 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 2yux n HIS 70 Cb 0.57 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.46 2yux n HIS 70 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2yux n TYR 71 N -3.59 -1.76 0.05 4.41 9.36 -0.96 -4.87 117.16 119.80 2yux n TYR 71 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 2yux n TYR 71 Cb 0.63 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 2yux n TYR 71 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2yux n HIS 72 N -0.78 -0.92 -0.63 2.98 -0.00 -1.26 -3.97 115.22 110.63 2yux n HIS 72 Ca 0.00 0.16 -0.30 0.00 0.46 0.00 0.00 57.72 58.04 2yux n HIS 72 Cb 0.00 0.59 0.18 0.00 -0.12 0.00 0.00 29.99 30.64 2yux n HIS 72 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2yux n ARG 73 N -2.80 -1.87 0.00 1.57 5.12 -1.26 -4.83 116.66 112.59 2yux n ARG 73 Ca 0.00 -0.54 0.08 0.00 -1.93 0.00 0.00 57.85 55.46 2yux n ARG 73 Cb 0.00 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2yux n THR 74 N -4.51 0.00 -4.59 0.55 -2.24 -1.26 -4.88 114.28 97.36 2yux n THR 74 Ca 0.02 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 2yux n THR 74 Cb 0.59 1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 69.87 2yux n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yux s SER 75 N -1.85 1.52 -0.03 3.42 1.04 -1.26 -3.22 113.70 113.32 2yux s SER 75 Ca 0.14 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 2yux s SER 75 Cb 0.13 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.09 2yux s SER 75 CO 0.39 0.16 0.07 0.00 0.98 0.00 0.00 173.24 174.84 2yux s ALA 76 N -0.30 -0.16 -0.23 5.32 0.00 -1.25 -5.01 121.76 120.12 2yux s ALA 76 Ca 0.05 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 2yux s ALA 76 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2yux s ALA 76 CO -0.00 -0.05 0.52 0.99 0.00 0.00 0.00 175.76 177.22 2yux s THR 77 N 0.17 5.08 0.37 0.00 2.01 -1.26 -2.92 115.64 119.09 2yux s THR 77 Ca -0.01 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 62.72 2yux s THR 77 Cb -0.02 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 2yux s THR 77 CO -0.00 0.12 0.85 -0.63 -0.69 0.00 0.00 174.62 174.27 2yux s ILE 78 N 2.02 4.51 0.37 1.82 -1.09 -0.47 -4.88 121.20 123.49 2yux s ILE 78 Ca 0.22 1.27 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 2yux s ILE 78 Cb -0.15 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2yux s ILE 78 CO 0.09 -0.21 0.17 0.42 -1.23 0.00 0.00 174.94 174.17 2yux s THR 79 N -2.04 0.42 -0.89 2.92 -4.23 -1.26 -2.02 115.64 108.54 2yux s THR 79 Ca 0.57 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2yux s THR 79 Cb -0.10 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2yux s THR 79 CO 0.16 0.00 0.78 -0.62 -0.54 0.00 0.00 174.62 174.39 2yux n GLU 80 N -0.79 -1.63 -4.58 3.99 1.02 -1.24 -5.00 120.64 112.40 2yux n GLU 80 Ca -0.02 1.13 -0.24 0.00 -0.02 0.00 0.00 57.16 58.01 2yux n GLU 80 Cb 0.64 -5.37 -0.16 0.00 -0.02 0.00 0.00 31.44 26.54 2yux n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2yux s LEU 81 N -4.79 1.74 -0.09 -4.62 1.43 -1.25 -5.11 118.68 105.99 2yux s LEU 81 Ca 0.20 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.80 2yux s LEU 81 Cb -0.04 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 2yux s LEU 81 CO 0.77 0.07 0.67 -0.69 0.23 0.00 0.00 176.35 177.39 2yux s VAL 82 N 0.40 5.06 0.01 -1.59 1.01 -1.26 -4.58 120.40 119.45 2yux s VAL 82 Ca -0.09 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2yux s VAL 82 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2yux s VAL 82 CO 0.02 0.25 1.35 -0.63 0.00 0.00 0.00 175.10 176.09 2yux s ILE 83 N 0.88 3.78 0.00 2.22 1.01 -1.26 -3.91 121.20 123.92 2yux s ILE 83 Ca 0.35 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2yux s ILE 83 Cb -0.17 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2yux s ILE 83 CO 0.16 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2yux n GLY 84 N 3.55 0.83 3.59 6.18 0.00 -1.22 -5.00 105.19 113.13 2yux n GLY 84 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 2yux n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yux s ASN 85 N -1.10 -0.17 0.07 1.61 0.01 -1.25 -5.05 114.94 109.06 2yux s ASN 85 Ca 0.00 -0.06 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 2yux s ASN 85 Cb 0.00 0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.84 2yux s ASN 85 CO 0.00 -0.37 -0.05 -1.83 -1.51 0.00 0.00 177.10 173.34 2yux s GLU 86 N -2.62 2.41 0.07 -0.60 1.03 -1.26 -2.37 118.70 115.36 2yux s GLU 86 Ca 0.10 -0.87 0.02 0.00 0.03 0.00 0.00 54.97 54.25 2yux s GLU 86 Cb 0.00 -2.46 -0.03 0.00 -0.80 0.00 0.00 34.13 30.84 2yux s GLU 86 CO -0.05 0.54 -0.08 0.71 -1.33 0.00 0.00 175.26 175.06 2yux s TYR 87 N -1.21 0.81 0.40 4.83 1.51 -1.15 -3.43 117.35 119.12 2yux s TYR 87 Ca 0.22 -0.63 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 2yux s TYR 87 Cb -0.11 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2yux s TYR 87 CO 0.14 -0.08 0.26 0.71 -1.11 0.00 0.00 175.55 175.47 2yux s TYR 88 N -2.12 2.68 0.03 2.71 2.02 -0.64 -2.63 117.35 119.40 2yux s TYR 88 Ca -0.02 -0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 56.01 2yux s TYR 88 Cb -0.05 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.54 2yux s TYR 88 CO -0.01 0.08 0.37 -0.06 -1.57 0.00 0.00 175.55 174.36 2yux s PHE 89 N -2.51 -0.21 -0.17 2.71 0.08 -1.26 -2.50 117.98 114.12 2yux s PHE 89 Ca 0.43 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.61 2yux s PHE 89 Cb -0.00 0.16 0.07 0.00 -0.57 0.00 0.00 43.02 42.68 2yux s PHE 89 CO 0.25 -0.51 0.36 1.03 -0.10 0.00 0.00 175.22 176.25 2yux s ARG 90 N -2.17 0.28 -0.02 0.44 0.52 -0.40 -3.46 118.95 114.14 2yux s ARG 90 Ca -0.07 0.87 0.02 0.00 -0.52 0.00 0.00 55.73 56.03 2yux s ARG 90 Cb -0.02 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 2yux s ARG 90 CO -0.01 -0.23 -0.06 0.08 0.02 0.00 0.00 175.30 175.10 2yux s VAL 91 N 2.21 3.74 0.00 3.52 1.01 -1.26 -2.09 120.40 127.54 2yux s VAL 91 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2yux s VAL 91 Cb -0.11 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2yux s VAL 91 CO -0.11 0.45 0.00 0.49 0.00 0.00 0.00 175.10 175.92 2yux n PHE 92 N 1.71 -0.03 -3.80 5.22 3.01 -0.82 -3.42 117.46 119.33 2yux n PHE 92 Ca -0.16 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.09 2yux n PHE 92 Cb 0.53 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.82 2yux n PHE 92 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2yux s SER 93 N 0.53 1.28 0.13 4.37 0.01 -1.25 -4.11 113.70 114.66 2yux s SER 93 Ca 0.00 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 2yux s SER 93 Cb 0.00 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2yux s SER 93 CO 0.00 -0.18 0.31 -1.61 0.41 0.00 0.00 173.24 172.16 2yux s GLU 94 N 1.80 3.50 0.00 12.44 0.41 -0.49 -3.95 118.70 132.41 2yux s GLU 94 Ca 0.02 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 2yux s GLU 94 Cb -0.13 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 2yux s GLU 94 CO -0.04 0.51 0.00 0.27 -0.49 0.00 0.00 175.26 175.51 2yux n ASN 95 N -0.18 0.00 0.02 -0.19 6.94 -1.25 -0.96 115.26 119.64 2yux n ASN 95 Ca -0.05 -0.37 -0.06 0.00 -0.02 0.00 0.00 54.58 54.08 2yux n ASN 95 Cb 0.52 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.06 2yux n ASN 95 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yux h MET 96 N 0.00 0.48 0.00 -3.83 -0.00 -1.97 -3.34 114.93 106.27 2yux h MET 96 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 59.70 59.44 2yux h MET 96 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2yux h MET 96 CO 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 176.91 177.74 2yux n GLY 98 N 0.58 -0.63 0.00 0.00 0.00 -1.25 -5.06 105.19 98.83 2yux n GLY 98 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2yux n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yux n LEU 99 N 0.00 0.00 -4.45 0.99 4.32 -1.25 -3.77 117.00 112.83 2yux n LEU 99 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2yux n LEU 99 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 2yux n LEU 99 CO 0.00 0.00 -0.51 -0.94 -1.22 0.00 0.00 177.39 174.72 2yux s SER 100 N -1.00 3.70 0.50 -1.43 1.04 -1.26 -4.79 113.70 110.46 2yux s SER 100 Ca 0.00 -0.56 0.18 0.00 0.48 0.00 0.00 55.95 56.05 2yux s SER 100 Cb 0.00 -0.48 1.24 0.00 0.10 0.00 0.00 66.02 66.88 2yux s SER 100 CO 0.00 0.20 2.06 -0.33 0.98 0.00 0.00 173.24 176.15 2yux h GLU 101 N 4.05 0.12 -4.84 4.02 4.39 -1.99 -3.43 114.58 116.89 2yux h GLU 101 Ca -0.49 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 58.84 2yux h GLU 101 Cb 1.16 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.64 2yux h GLU 101 CO 0.45 0.08 -0.59 0.34 -1.16 0.00 0.00 179.01 178.12 2yux s ASP 102 N -6.58 1.19 0.09 1.42 2.15 -1.26 -5.17 116.67 108.51 2yux s ASP 102 Ca -0.06 -1.46 0.05 0.00 0.43 0.00 0.00 52.55 51.51 2yux s ASP 102 Cb 0.18 0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2yux s ASP 102 CO 0.71 -0.81 -0.12 0.00 -0.17 0.00 0.00 175.17 174.77 2yux s ALA 103 N -3.75 1.16 -0.65 3.66 0.00 -1.26 -4.48 121.76 116.45 2yux s ALA 103 Ca 0.37 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2yux s ALA 103 Cb 0.06 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.20 2yux s ALA 103 CO 0.15 0.08 0.97 0.99 0.00 0.00 0.00 175.76 177.95 2yux s THR 104 N -1.78 4.31 0.26 0.00 2.01 -1.22 -4.90 115.64 114.32 2yux s THR 104 Ca 0.01 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 2yux s THR 104 Cb -0.07 -4.67 -0.09 0.00 0.01 0.00 0.00 72.50 67.68 2yux s THR 104 CO 0.02 -1.42 0.82 -0.32 -0.69 0.00 0.00 174.62 173.03 2yux s MET 105 N 4.11 4.43 -0.02 4.92 0.00 -1.26 -3.99 119.30 127.48 2yux s MET 105 Ca 0.24 1.09 -0.36 0.00 0.00 0.00 0.00 55.69 56.66 2yux s MET 105 Cb -0.16 -2.88 -0.15 0.00 0.00 0.00 0.00 34.83 31.64 2yux s MET 105 CO 0.12 0.36 1.60 0.25 0.00 0.00 0.00 175.02 177.35 2yux n THR 106 N 0.74 0.19 -0.66 10.11 -2.24 -1.22 -4.74 114.28 116.46 2yux n THR 106 Ca -0.01 -0.03 0.51 0.00 -2.27 0.00 0.00 64.05 62.25 2yux n THR 106 Cb 0.50 -1.29 0.81 0.00 -2.10 0.00 0.00 70.33 68.24 2yux n THR 106 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2yux h LYS 107 N 6.46 0.00 -4.61 -0.78 1.79 -1.94 -3.39 116.57 114.10 2yux h LYS 107 Ca -0.47 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.75 2yux h LYS 107 Cb 1.30 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.80 2yux h LYS 107 CO 0.88 0.00 -0.63 -1.21 -1.08 0.00 0.00 179.45 177.42 2yux s GLU 108 N -4.85 1.18 0.62 3.15 2.02 -1.26 -5.17 118.70 114.39 2yux s GLU 108 Ca -0.05 -1.61 -0.01 0.00 0.02 0.00 0.00 54.97 53.32 2yux s GLU 108 Cb 0.26 0.18 0.06 0.00 0.10 0.00 0.00 34.13 34.72 2yux s GLU 108 CO 0.87 -0.35 0.87 -1.54 0.02 0.00 0.00 175.26 175.14 2yux s SER 109 N -3.16 4.99 -0.22 -0.19 1.04 -1.26 -4.95 113.70 109.96 2yux s SER 109 Ca 0.36 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 2yux s SER 109 Cb 0.07 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 2yux s SER 109 CO 0.10 -1.39 -0.02 0.00 0.98 0.00 0.00 173.24 172.91 2yux s ALA 110 N -2.95 2.90 -0.41 5.32 0.00 -1.08 -4.95 121.76 120.58 2yux s ALA 110 Ca 0.60 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 2yux s ALA 110 Cb -0.10 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.29 2yux s ALA 110 CO 0.41 -0.35 0.83 0.08 0.00 0.00 0.00 175.76 176.73 2yux s VAL 111 N 1.35 4.63 0.36 0.00 1.01 -1.26 -2.94 120.40 123.55 2yux s VAL 111 Ca 0.04 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 2yux s VAL 111 Cb -0.14 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2yux s VAL 111 CO -0.01 -0.63 1.24 -0.63 0.00 0.00 0.00 175.10 175.07 2yux s ILE 112 N 3.36 2.91 0.08 2.22 -1.09 -1.00 -4.96 121.20 122.72 2yux s ILE 112 Ca 0.33 0.86 -0.26 0.00 -2.23 0.00 0.00 60.65 59.35 2yux s ILE 112 Cb -0.12 -3.52 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 2yux s ILE 112 CO 0.21 0.16 0.72 0.00 -1.23 0.00 0.00 174.94 174.80 2yux s ALA 113 N -1.23 -1.70 -0.35 9.38 0.00 -1.25 -3.39 121.76 123.21 2yux s ALA 113 Ca 0.52 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 2yux s ALA 113 Cb -0.36 0.62 0.16 0.00 0.00 0.00 0.00 23.12 23.54 2yux s ALA 113 CO 0.47 -0.70 2.26 -2.13 0.00 0.00 0.00 175.76 175.66 2yux n ARG 114 N -0.23 1.98 -3.61 0.00 0.00 -1.26 -0.57 116.66 112.98 2yux n ARG 114 Ca -0.14 -1.79 -0.14 0.00 -0.00 0.00 0.00 57.85 55.79 2yux n ARG 114 Cb 0.63 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.26 2yux n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2yux s ASP 115 N 0.24 -0.40 0.00 6.15 1.11 -1.26 -4.77 116.67 117.74 2yux s ASP 115 Ca 0.40 0.16 0.00 0.00 0.18 0.00 0.00 52.55 53.29 2yux s ASP 115 Cb 0.29 0.47 0.00 0.00 1.07 0.00 0.00 42.92 44.74 2yux s ASP 115 CO -0.06 -0.68 0.00 0.61 1.18 0.00 0.00 175.17 176.22 2yux n GLY 116 N 0.53 -0.99 4.53 0.21 0.00 -1.26 -4.35 105.19 103.86 2yux n GLY 116 Ca -0.19 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2yux n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yux n LYS 117 N -1.58 -0.33 -3.56 1.61 4.76 -1.26 -4.61 118.16 113.20 2yux n LYS 117 Ca 0.00 0.21 -0.41 0.00 -2.87 0.00 0.00 58.31 55.25 2yux n LYS 117 Cb 0.00 -0.40 -0.08 0.00 -1.84 0.00 0.00 35.03 32.72 2yux n LYS 117 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2yux s ILE 118 N -0.51 4.32 -0.56 -0.18 1.01 -1.26 -4.87 121.20 119.15 2yux s ILE 118 Ca 0.00 -2.28 0.16 0.00 0.00 0.00 0.00 60.65 58.52 2yux s ILE 118 Cb 0.00 -3.80 0.71 0.00 0.01 0.00 0.00 42.46 39.38 2yux s ILE 118 CO 0.00 -0.86 1.62 0.00 0.00 0.00 0.00 174.94 175.71 2yux n TYR 119 N 4.29 1.58 0.00 3.97 9.36 -1.26 -5.33 117.16 129.77 2yux n TYR 119 Ca 0.01 -0.71 0.00 0.00 3.32 0.00 0.00 57.90 60.52 2yux n TYR 119 Cb 0.41 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 2yux n TYR 119 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44