#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux n SER 2 N 0.00 0.00 -3.65 1.61 7.64 -1.26 -5.19 113.62 112.77 2yux n SER 2 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2yux n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2yux n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yux s SER 3 N 0.00 -0.32 0.34 6.43 0.15 -1.26 -5.15 113.70 113.88 2yux s SER 3 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2yux s SER 3 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2yux s SER 3 CO 0.00 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2yux n GLY 4 N -0.40 -3.26 1.03 9.45 0.00 -1.26 -5.05 105.19 105.71 2yux n GLY 4 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2yux n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yux n SER 5 N -2.75 0.00 -1.38 1.61 3.41 -1.26 -5.17 113.62 108.08 2yux n SER 5 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.65 2yux n SER 5 Cb 0.33 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 2yux n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yux n SER 6 N -2.00 -7.46 -3.56 4.04 7.64 -1.26 -5.05 113.62 105.96 2yux n SER 6 Ca 0.00 1.55 -0.15 0.00 1.01 0.00 0.00 58.87 61.28 2yux n SER 6 Cb 0.00 -4.54 -0.06 0.00 -1.01 0.00 0.00 64.21 58.60 2yux n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yux s GLY 7 N -5.97 -0.47 -0.18 0.23 0.00 -1.26 -5.15 107.32 94.52 2yux s GLY 7 Ca 0.00 1.73 -0.04 0.00 0.00 0.00 0.00 44.72 46.41 2yux s GLY 7 CO 0.00 1.21 0.19 0.00 0.00 0.00 0.00 173.10 174.50 2yux s ALA 8 N -0.73 -0.10 -0.70 3.20 0.00 -1.26 -5.09 121.76 117.08 2yux s ALA 8 Ca -0.06 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 2yux s ALA 8 Cb -0.02 -1.21 0.18 0.00 0.00 0.00 0.00 23.12 22.08 2yux s ALA 8 CO 0.05 -1.14 0.55 -1.12 0.00 0.00 0.00 175.76 174.10 2yux s SER 9 N 2.28 5.69 -0.06 0.00 0.01 -1.26 -4.85 113.70 115.50 2yux s SER 9 Ca 0.05 -2.86 -0.05 0.00 1.31 0.00 0.00 55.95 54.41 2yux s SER 9 Cb -0.15 -1.96 0.02 0.00 0.21 0.00 0.00 66.02 64.14 2yux s SER 9 CO -0.11 -0.42 0.10 -0.38 0.41 0.00 0.00 173.24 172.84 2yux n ILE 10 N 3.56 -9.55 -3.57 1.44 -0.00 -1.26 -5.10 119.36 104.89 2yux n ILE 10 Ca 0.10 1.95 -0.10 0.00 -0.00 0.00 0.00 62.75 64.70 2yux n ILE 10 Cb 0.40 -5.32 -0.05 0.00 -0.00 0.00 0.00 39.64 34.68 2yux n ILE 10 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2yux s ASP 11 N -0.42 -0.37 -0.12 4.38 2.15 -1.26 -5.05 116.67 115.99 2yux s ASP 11 Ca -0.11 0.34 -0.10 0.00 0.43 0.00 0.00 52.55 53.11 2yux s ASP 11 Cb 0.01 0.31 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2yux s ASP 11 CO 0.30 -0.38 0.17 -0.38 -0.17 0.00 0.00 175.17 174.71 2yux n ILE 12 N 0.58 -2.29 -4.37 4.11 5.41 -1.26 -4.97 119.36 116.57 2yux n ILE 12 Ca -0.10 0.34 -0.21 0.00 1.00 0.00 0.00 62.75 63.79 2yux n ILE 12 Cb 0.58 -2.86 -0.10 0.00 -0.71 0.00 0.00 39.64 36.55 2yux n ILE 12 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2yux s GLN 13 N -1.28 1.38 -0.31 0.38 -0.21 -1.26 -4.89 119.66 113.47 2yux s GLN 13 Ca 0.10 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 53.93 2yux s GLN 13 Cb -0.01 -1.33 0.09 0.00 1.00 0.00 0.00 33.01 32.77 2yux s GLN 13 CO 0.23 0.24 0.06 0.42 -2.12 0.00 0.00 175.29 174.13 2yux s ILE 14 N -2.55 1.36 0.74 1.08 1.01 -1.26 -5.07 121.20 116.51 2yux s ILE 14 Ca 0.22 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 2yux s ILE 14 Cb -0.03 -1.97 0.19 0.00 0.01 0.00 0.00 42.46 40.65 2yux s ILE 14 CO 0.08 -0.58 0.57 2.30 0.00 0.00 0.00 174.94 177.32 2yux n ILE 15 N 4.65 0.00 -2.19 2.92 -5.35 -1.26 -4.61 119.36 113.53 2yux n ILE 15 Ca -0.02 -0.18 0.06 0.00 -0.27 0.00 0.00 62.75 62.35 2yux n ILE 15 Cb 0.42 -0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 37.39 2yux n ILE 15 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2yux n ASP 16 N -4.25 -3.66 -4.12 7.28 8.00 -1.26 -4.86 116.55 113.68 2yux n ASP 16 Ca 0.08 0.46 -0.36 0.00 0.71 0.00 0.00 54.79 55.68 2yux n ASP 16 Cb 0.33 -1.29 0.09 0.00 -0.02 0.00 0.00 41.12 40.23 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yux n ARG 17 N -1.94 -0.66 -1.51 -1.24 1.74 -1.26 -4.81 116.66 106.98 2yux n ARG 17 Ca 0.00 -0.18 -0.30 0.00 -0.77 0.00 0.00 57.85 56.60 2yux n ARG 17 Cb 0.19 -1.30 0.21 0.00 -1.02 0.00 0.00 32.46 30.54 2yux n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yux s PRO 18 N -2.63 -0.16 0.24 5.56 0.04 -1.26 -4.97 135.00 131.82 2yux s PRO 18 Ca 0.45 -0.19 0.08 0.00 0.04 0.00 0.00 61.00 61.37 2yux s PRO 18 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2yux s PRO 18 CO 0.67 -2.99 0.11 0.20 0.04 0.00 0.00 177.00 175.04 2yux s GLY 19 N -4.36 1.54 0.99 0.56 0.00 -1.26 -4.66 107.32 100.13 2yux s GLY 19 Ca 0.72 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 43.82 2yux s GLY 19 CO 0.54 -1.51 1.17 2.56 0.00 0.00 0.00 173.10 175.87 2yux s PRO 20 N -3.64 0.46 0.35 2.90 0.04 -1.26 -4.63 135.00 129.23 2yux s PRO 20 Ca 0.32 0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.14 2yux s PRO 20 Cb -0.08 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 2yux s PRO 20 CO 0.23 -2.61 1.06 -1.25 0.04 0.00 0.00 177.00 174.47 2yux s PRO 21 N -5.45 4.36 0.17 0.56 0.04 -1.26 -4.73 135.00 128.69 2yux s PRO 21 Ca 0.68 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 63.06 2yux s PRO 21 Cb -0.11 -2.80 -0.00 0.00 0.04 0.00 0.00 34.50 31.62 2yux s PRO 21 CO 0.54 0.01 1.54 1.96 0.04 0.00 0.00 177.00 181.09 2yux h GLN 22 N 3.04 -0.04 -3.66 4.56 4.20 -1.61 -3.44 115.11 118.15 2yux h GLN 22 Ca -0.48 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 2yux h GLN 22 Cb 1.21 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.87 2yux h GLN 22 CO 0.64 -0.03 -0.25 -1.50 -0.67 0.00 0.00 178.83 177.03 2yux s ILE 23 N -5.62 0.10 -0.09 2.54 -1.16 -1.26 -4.96 121.20 110.74 2yux s ILE 23 Ca -0.13 -1.00 -0.02 0.00 -0.51 0.00 0.00 60.65 58.99 2yux s ILE 23 Cb 0.13 -1.38 0.04 0.00 0.61 0.00 0.00 42.46 41.86 2yux s ILE 23 CO 0.64 -0.46 0.04 -0.69 -2.81 0.00 0.00 174.94 171.66 2yux s VAL 24 N -3.86 0.15 0.37 4.00 1.01 -1.26 -0.37 120.40 120.44 2yux s VAL 24 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2yux s VAL 24 Cb 0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 2yux s VAL 24 CO -0.09 0.08 0.07 -1.59 0.00 0.00 0.00 175.10 173.56 2yux s LYS 25 N 2.05 1.80 -0.39 2.72 -2.85 0.61 -4.16 119.74 119.52 2yux s LYS 25 Ca 0.04 -2.05 -0.03 0.00 -1.00 0.00 0.00 55.97 52.93 2yux s LYS 25 Cb -0.13 -0.94 0.10 0.00 -2.06 0.00 0.00 37.83 34.80 2yux s LYS 25 CO -0.05 -0.27 0.17 0.42 0.10 0.00 0.00 175.35 175.72 2yux s ILE 26 N -3.18 3.24 0.29 3.79 1.01 -1.26 0.20 121.20 125.28 2yux s ILE 26 Ca 0.30 -1.96 0.01 0.00 0.00 0.00 0.00 60.65 59.01 2yux s ILE 26 Cb 0.07 -3.17 0.40 0.00 0.01 0.00 0.00 42.46 39.76 2yux s ILE 26 CO 0.14 -0.61 1.47 1.21 0.00 0.00 0.00 174.94 177.15 2yux n GLU 27 N 4.59 -0.08 0.00 2.79 0.00 0.20 -4.80 120.64 123.35 2yux n GLU 27 Ca -0.04 1.41 0.00 0.00 0.00 0.00 0.00 57.16 58.53 2yux n GLU 27 Cb 0.42 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 29.63 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 -5.39 0.00 -3.68 4.31 9.92 -1.13 -4.99 116.55 115.60 2yux n ASP 28 Ca 0.22 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.35 2yux n ASP 28 Cb 0.71 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.06 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 -0.33 0.07 2.53 0.11 -1.26 0.16 120.40 119.67 2yux s VAL 29 Ca 0.00 0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 2yux s VAL 29 Cb 0.00 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2yux s VAL 29 CO 0.00 0.10 -0.17 -1.66 -3.33 0.00 0.00 175.10 170.04 2yux s TRP 30 N 2.12 1.48 0.00 1.54 -2.14 0.53 -4.85 118.94 117.62 2yux s TRP 30 Ca -0.02 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.33 2yux s TRP 30 Cb -0.11 -0.84 0.00 0.00 -3.10 0.00 0.00 33.47 29.41 2yux s TRP 30 CO -0.09 0.10 0.00 0.41 -2.66 0.00 0.00 176.95 174.71 2yux n GLY 31 N 1.46 1.82 2.07 3.67 0.00 -0.94 0.10 105.19 113.38 2yux n GLY 31 Ca -0.19 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 11.95 2.73 -4.17 1.61 1.02 -1.26 -3.80 120.64 128.71 2yux n GLU 32 Ca 0.00 -3.45 -0.17 0.00 -0.02 0.00 0.00 57.16 53.52 2yux n GLU 32 Cb 0.00 -2.20 -0.15 0.00 -0.02 0.00 0.00 31.44 29.07 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 -2.30 0.68 0.10 1.62 0.01 0.29 -3.57 114.94 111.77 2yux s ASN 33 Ca 0.58 -0.10 0.10 0.00 -0.71 0.00 0.00 52.86 52.73 2yux s ASN 33 Cb 0.47 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 2yux s ASN 33 CO 0.02 0.05 -0.26 -0.69 -1.51 0.00 0.00 177.10 174.71 2yux s VAL 34 N 0.01 2.19 -0.20 1.60 1.01 -0.70 -0.35 120.40 123.96 2yux s VAL 34 Ca 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.35 2yux s VAL 34 Cb -0.04 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2yux s VAL 34 CO -0.00 0.17 -0.12 0.00 0.00 0.00 0.00 175.10 175.15 2yux s ALA 35 N -0.98 2.58 0.09 5.51 0.00 0.41 -1.60 121.76 127.77 2yux s ALA 35 Ca 0.13 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2yux s ALA 35 Cb -0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2yux s ALA 35 CO 0.05 -0.41 0.10 -0.51 0.00 0.00 0.00 175.76 174.98 2yux s LEU 36 N 1.38 3.86 -0.19 0.00 1.43 -0.30 0.62 118.68 125.47 2yux s LEU 36 Ca 0.05 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2yux s LEU 36 Cb -0.14 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2yux s LEU 36 CO -0.08 0.16 0.33 0.42 0.23 0.00 0.00 176.35 177.41 2yux s THR 37 N -1.44 -0.51 0.10 5.49 -4.23 0.52 -3.10 115.64 112.47 2yux s THR 37 Ca 0.30 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.98 2yux s THR 37 Cb -0.12 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2yux s THR 37 CO 0.23 -0.02 -0.22 -1.66 -0.54 0.00 0.00 174.62 172.40 2yux s TRP 38 N 2.49 1.92 0.40 3.99 -2.14 -0.60 0.22 118.94 125.23 2yux s TRP 38 Ca 0.05 -0.41 -0.02 0.00 2.66 0.00 0.00 56.10 58.39 2yux s TRP 38 Cb -0.14 -1.06 -0.03 0.00 -3.10 0.00 0.00 33.47 29.14 2yux s TRP 38 CO -0.12 0.23 0.64 0.95 -2.66 0.00 0.00 176.95 175.99 2yux s THR 39 N -1.11 5.03 0.76 0.66 -4.23 0.50 -4.69 115.64 112.56 2yux s THR 39 Ca 0.08 -0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2yux s THR 39 Cb -0.10 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.93 2yux s THR 39 CO 0.04 -0.67 1.08 -2.16 -0.54 0.00 0.00 174.62 172.38 2yux s PRO 40 N -4.47 2.38 0.27 3.99 0.04 -1.26 -3.07 135.00 132.88 2yux s PRO 40 Ca 0.43 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 2yux s PRO 40 Cb -0.10 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2yux s PRO 40 CO 0.39 -1.44 1.08 -1.25 0.04 0.00 0.00 177.00 175.83 2yux s PRO 41 N -5.12 4.66 0.00 0.56 0.04 -1.26 -3.66 135.00 130.21 2yux s PRO 41 Ca 0.60 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.63 2yux s PRO 41 Cb -0.14 -3.21 1.11 0.00 0.04 0.00 0.00 34.50 32.30 2yux s PRO 41 CO 0.54 0.23 1.74 1.63 0.04 0.00 0.00 177.00 181.18 2yux n LYS 42 N 1.32 0.25 -4.17 4.56 5.02 -1.26 -4.75 118.16 119.14 2yux n LYS 42 Ca -0.01 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 2yux n LYS 42 Cb 0.45 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.67 1.15 0.00 4.39 2.15 -1.26 -5.14 116.67 115.30 2yux s ASP 43 Ca 0.19 -0.99 0.00 0.00 0.43 0.00 0.00 52.55 52.18 2yux s ASP 43 Cb 0.15 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 2yux s ASP 43 CO 0.36 -0.45 0.00 -0.67 -0.17 0.00 0.00 175.17 174.24 2yux n ASP 44 N -0.00 0.00 0.00 -0.34 2.03 -1.26 -5.00 116.55 111.98 2yux n ASP 44 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2yux n ASP 44 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2yux n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yux n GLY 45 N 0.00 -1.83 0.41 0.27 0.00 -1.26 -4.97 105.19 97.80 2yux n GLY 45 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2yux n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yux h ASN 46 N 0.00 -1.48 -3.66 1.61 2.35 -1.97 -3.32 115.58 109.11 2yux h ASN 46 Ca 0.00 0.21 -0.68 0.00 -0.55 0.00 0.00 56.30 55.28 2yux h ASN 46 Cb 0.00 0.63 -0.35 0.00 0.05 0.00 0.00 38.32 38.65 2yux h ASN 46 CO 0.00 -0.39 -0.66 0.00 -1.65 0.00 0.00 177.43 174.73 2yux s ALA 47 N -5.82 2.93 -0.39 -0.83 0.00 -1.26 -5.06 121.76 111.33 2yux s ALA 47 Ca -0.15 -2.21 -0.28 0.00 0.00 0.00 0.00 51.96 49.32 2yux s ALA 47 Cb 0.11 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2yux s ALA 47 CO 0.64 -1.55 1.65 0.00 0.00 0.00 0.00 175.76 176.51 2yux s ALA 48 N 1.12 2.88 -0.30 0.00 0.00 -1.25 -4.89 121.76 119.33 2yux s ALA 48 Ca 0.03 0.02 -0.37 0.00 0.00 0.00 0.00 51.96 51.63 2yux s ALA 48 Cb -0.21 -4.01 -0.13 0.00 0.00 0.00 0.00 23.12 18.77 2yux s ALA 48 CO -0.04 -2.64 1.99 -0.89 0.00 0.00 0.00 175.76 174.17 2yux n ILE 49 N 7.26 0.28 -0.09 0.00 -0.00 -1.26 -4.70 119.36 120.84 2yux n ILE 49 Ca 0.20 -0.15 -0.13 0.00 -0.00 0.00 0.00 62.75 62.67 2yux n ILE 49 Cb 0.48 -1.46 -0.06 0.00 -0.00 0.00 0.00 39.64 38.59 2yux n ILE 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2yux n THR 50 N 5.96 1.48 -4.27 1.39 -1.04 -0.94 -5.00 114.28 111.86 2yux n THR 50 Ca 0.34 0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 62.22 2yux n THR 50 Cb 0.19 -2.22 -0.07 0.00 -1.82 0.00 0.00 70.33 66.40 2yux n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yux n GLY 51 N 1.50 2.79 2.84 3.41 0.00 -1.25 -4.60 105.19 109.88 2yux n GLY 51 Ca -0.21 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.32 0.81 -0.25 1.61 1.51 0.34 -1.84 117.35 116.20 2yux s TYR 52 Ca 0.40 -0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 56.01 2yux s TYR 52 Cb 0.02 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2yux s TYR 52 CO 0.28 -0.30 0.57 0.99 -1.11 0.00 0.00 175.55 175.98 2yux s THR 53 N 1.50 5.03 0.18 -0.71 2.01 -1.23 -3.58 115.64 118.83 2yux s THR 53 Ca -0.02 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.05 2yux s THR 53 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2yux s THR 53 CO -0.03 0.07 0.11 -0.63 -0.69 0.00 0.00 174.62 173.45 2yux s ILE 54 N 2.31 4.30 0.05 1.82 1.09 -0.90 -1.26 121.20 128.61 2yux s ILE 54 Ca 0.24 -1.20 -0.18 0.00 -1.10 0.00 0.00 60.65 58.41 2yux s ILE 54 Cb -0.16 -3.20 0.04 0.00 -1.06 0.00 0.00 42.46 38.08 2yux s ILE 54 CO 0.09 -0.14 0.41 -1.10 -0.10 0.00 0.00 174.94 174.11 2yux s GLN 55 N -3.15 0.94 0.08 2.79 -0.21 -1.20 -0.47 119.66 118.44 2yux s GLN 55 Ca 0.30 -0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.36 2yux s GLN 55 Cb -0.10 0.42 -0.03 0.00 1.00 0.00 0.00 33.01 34.30 2yux s GLN 55 CO 0.22 -0.33 -0.17 -1.59 -2.12 0.00 0.00 175.29 171.31 2yux s LYS 56 N -2.59 0.94 -0.27 2.91 -2.85 -1.26 -3.18 119.74 113.45 2yux s LYS 56 Ca -0.05 -1.04 -0.09 0.00 -1.00 0.00 0.00 55.97 53.79 2yux s LYS 56 Cb -0.01 -1.05 0.12 0.00 -2.06 0.00 0.00 37.83 34.83 2yux s LYS 56 CO -0.03 0.24 0.58 0.00 0.10 0.00 0.00 175.35 176.23 2yux s ALA 57 N -1.26 -1.76 1.19 0.59 0.00 -1.10 -3.68 121.76 115.74 2yux s ALA 57 Ca 0.02 2.08 -0.19 0.00 0.00 0.00 0.00 51.96 53.86 2yux s ALA 57 Cb -0.10 -1.63 0.28 0.00 0.00 0.00 0.00 23.12 21.68 2yux s ALA 57 CO 0.03 -0.87 1.13 -0.51 0.00 0.00 0.00 175.76 175.55 2yux s ASP 58 N 2.79 1.02 -0.14 0.00 1.01 -1.26 -1.24 116.67 118.85 2yux s ASP 58 Ca -0.05 0.56 0.07 0.00 0.71 0.00 0.00 52.55 53.85 2yux s ASP 58 Cb -0.12 -0.76 0.45 0.00 1.01 0.00 0.00 42.92 43.50 2yux s ASP 58 CO -0.17 -4.05 1.21 0.29 0.21 0.00 0.00 175.17 172.65 2yux n LYS 59 N -4.70 3.07 -0.10 8.23 4.76 -1.22 -1.61 118.16 126.58 2yux n LYS 59 Ca 0.14 -1.73 -0.24 0.00 -2.87 0.00 0.00 58.31 53.61 2yux n LYS 59 Cb 0.60 -1.91 -0.12 0.00 -1.84 0.00 0.00 35.03 31.76 2yux n LYS 59 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2yux n LYS 60 N 0.30 0.63 0.00 1.97 0.00 -1.26 -4.77 118.16 115.03 2yux n LYS 60 Ca 0.16 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 2yux n LYS 60 Cb 0.80 -1.60 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yux n SER 61 N -3.95 4.50 -1.13 -5.58 7.64 -1.25 -5.02 113.62 108.83 2yux n SER 61 Ca -0.43 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.34 2yux n SER 61 Cb 0.88 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 64.36 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 -2.16 -0.86 -4.13 1.43 2.81 -0.63 -5.00 117.12 108.57 2yux n MET 62 Ca 0.00 0.68 -0.36 0.00 -1.81 0.00 0.00 57.70 56.21 2yux n MET 62 Cb 0.49 -4.75 -0.08 0.00 -0.71 0.00 0.00 33.22 28.16 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 -3.95 3.28 -0.06 0.03 2.02 -1.26 -4.96 118.70 113.81 2yux s GLU 63 Ca 0.00 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 54.49 2yux s GLU 63 Cb 0.00 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 2yux s GLU 63 CO 0.00 0.69 0.62 -1.58 0.02 0.00 0.00 175.26 175.01 2yux s TRP 64 N -0.81 3.60 -0.17 1.61 0.52 -1.26 -4.27 118.94 118.15 2yux s TRP 64 Ca 0.13 1.15 0.14 0.00 0.02 0.00 0.00 56.10 57.55 2yux s TRP 64 Cb -0.12 -2.68 0.36 0.00 -1.15 0.00 0.00 33.47 29.88 2yux s TRP 64 CO 0.03 0.20 1.19 1.19 0.02 0.00 0.00 176.95 179.57 2yux n PHE 65 N 3.40 0.00 -1.53 -1.98 3.01 -1.24 -5.01 117.46 114.11 2yux n PHE 65 Ca -0.04 -1.26 0.00 0.00 1.01 0.00 0.00 57.45 57.16 2yux n PHE 65 Cb 0.51 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2yux n PHE 65 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2yux n THR 66 N -1.19 -5.11 0.00 4.37 -1.04 -1.26 -4.98 114.28 105.08 2yux n THR 66 Ca 0.17 2.28 0.00 0.00 -2.04 0.00 0.00 64.05 64.47 2yux n THR 66 Cb 0.68 -3.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.06 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 -0.63 0.00 -3.68 12.58 0.31 0.38 -4.73 118.33 122.55 2yux n VAL 67 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2yux n VAL 67 Cb 0.00 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 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 -1.96 0.07 0.03 2.52 2.07 -1.03 -4.98 121.20 117.91 2yux s ILE 68 Ca 0.00 -0.55 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 2yux s ILE 68 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 2yux s ILE 68 CO 0.00 -0.30 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.10 2yux s GLU 69 N -2.79 0.40 -1.18 3.50 2.02 -1.26 -2.11 118.70 117.28 2yux s GLU 69 Ca -0.03 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.09 2yux s GLU 69 Cb -0.00 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 2yux s GLU 69 CO -0.05 -0.07 0.77 0.72 0.02 0.00 0.00 175.26 176.65 2yux n HIS 70 N 1.23 -1.99 -4.90 1.61 8.25 -1.26 -4.95 115.22 113.22 2yux n HIS 70 Ca -0.22 0.62 -0.29 0.00 -0.26 0.00 0.00 57.72 57.57 2yux n HIS 70 Cb 0.56 -3.77 -0.17 0.00 1.12 0.00 0.00 29.99 27.73 2yux n HIS 70 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2yux s TYR 71 N -3.53 2.14 0.00 4.41 5.04 -1.23 -4.83 117.35 119.35 2yux s TYR 71 Ca 0.34 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2yux s TYR 71 Cb -0.10 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.73 2yux s TYR 71 CO 0.83 -0.39 0.00 0.72 -1.34 0.00 0.00 175.55 175.37 2yux n HIS 72 N 3.72 0.00 0.00 4.97 8.25 -1.26 0.13 115.22 131.03 2yux n HIS 72 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2yux n HIS 72 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2yux n HIS 72 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2yux n ARG 73 N 0.00 0.00 -0.54 -0.41 3.00 -1.26 -4.59 116.66 112.86 2yux n ARG 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2yux n ARG 73 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yux n THR 74 N 0.00 0.00 -3.81 5.15 -2.24 -1.26 -5.05 114.28 107.07 2yux n THR 74 Ca 0.00 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2yux n THR 74 Cb 0.00 0.40 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.81 -0.02 -0.22 3.42 1.04 -1.26 -1.55 113.70 114.30 2yux s SER 75 Ca 0.01 -1.09 -0.26 0.00 0.48 0.00 0.00 55.95 55.09 2yux s SER 75 Cb 0.01 0.84 0.07 0.00 0.10 0.00 0.00 66.02 67.04 2yux s SER 75 CO -0.01 -1.65 0.71 0.00 0.98 0.00 0.00 173.24 173.27 2yux s ALA 76 N -2.47 -1.77 -0.33 5.32 0.00 -1.18 -4.98 121.76 116.35 2yux s ALA 76 Ca 0.15 1.85 -0.08 0.00 0.00 0.00 0.00 51.96 53.89 2yux s ALA 76 Cb -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.20 2yux s ALA 76 CO 0.11 -0.35 0.12 0.99 0.00 0.00 0.00 175.76 176.63 2yux s THR 77 N 0.00 4.04 0.30 0.00 2.01 -1.26 -1.15 115.64 119.58 2yux s THR 77 Ca -0.03 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 60.85 2yux s THR 77 Cb -0.04 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2yux s THR 77 CO 0.03 -0.09 0.87 -0.63 -0.69 0.00 0.00 174.62 174.11 2yux s ILE 78 N 1.48 4.36 0.36 1.82 -1.09 -0.63 -4.89 121.20 122.61 2yux s ILE 78 Ca 0.01 1.59 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 2yux s ILE 78 Cb -0.18 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 2yux s ILE 78 CO 0.04 0.11 0.13 0.35 -1.23 0.00 0.00 174.94 174.34 2yux n THR 79 N 0.48 0.00 -3.52 2.92 -2.24 -1.26 -1.73 114.28 108.94 2yux n THR 79 Ca 0.01 -2.08 -0.20 0.00 -2.27 0.00 0.00 64.05 59.51 2yux n THR 79 Cb 0.51 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2yux n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yux n GLU 80 N -0.80 -1.36 -4.39 -0.78 1.02 -1.23 -4.99 120.64 108.12 2yux n GLU 80 Ca -0.05 0.86 -0.28 0.00 -0.02 0.00 0.00 57.16 57.67 2yux n GLU 80 Cb 0.54 -4.15 -0.13 0.00 -0.02 0.00 0.00 31.44 27.68 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 -5.30 2.34 -0.17 -4.62 1.43 -1.25 -5.11 118.68 106.01 2yux s LEU 81 Ca 0.21 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2yux s LEU 81 Cb -0.07 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 2yux s LEU 81 CO 0.83 0.16 0.12 -0.69 0.23 0.00 0.00 176.35 177.00 2yux s VAL 82 N -1.20 5.34 0.40 -1.59 1.01 -1.26 -4.72 120.40 118.37 2yux s VAL 82 Ca 0.15 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 2yux s VAL 82 Cb -0.10 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 2yux s VAL 82 CO 0.07 0.50 1.12 -0.63 0.00 0.00 0.00 175.10 176.15 2yux s ILE 83 N -0.07 3.39 0.00 2.22 1.01 -1.26 -3.91 121.20 122.58 2yux s ILE 83 Ca 0.10 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2yux s ILE 83 Cb -0.11 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2yux s ILE 83 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2yux n GLY 84 N 0.53 0.61 3.58 6.18 0.00 -1.00 -4.98 105.19 110.11 2yux n GLY 84 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.86 -0.29 0.10 1.61 0.01 -1.25 -5.02 114.94 107.23 2yux s ASN 85 Ca 0.00 -0.12 0.09 0.00 -0.71 0.00 0.00 52.86 52.12 2yux s ASN 85 Cb 0.00 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 42.02 2yux s ASN 85 CO 0.00 -0.67 -0.22 -1.83 -1.51 0.00 0.00 177.10 172.88 2yux s GLU 86 N -3.11 1.74 0.11 -0.60 1.03 -1.26 -1.35 118.70 115.26 2yux s GLU 86 Ca 0.08 -1.18 0.03 0.00 0.03 0.00 0.00 54.97 53.93 2yux s GLU 86 Cb -0.01 -2.05 -0.04 0.00 -0.80 0.00 0.00 34.13 31.23 2yux s GLU 86 CO -0.06 0.49 -0.09 0.71 -1.33 0.00 0.00 175.26 174.98 2yux s TYR 87 N -1.04 1.04 0.25 4.83 1.51 -1.13 -3.44 117.35 119.37 2yux s TYR 87 Ca 0.15 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 2yux s TYR 87 Cb -0.10 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 2yux s TYR 87 CO 0.07 -0.03 0.10 0.71 -1.11 0.00 0.00 175.55 175.29 2yux s TYR 88 N -2.94 2.92 -0.14 2.71 2.02 -0.37 -2.80 117.35 118.74 2yux s TYR 88 Ca 0.09 -0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.53 2yux s TYR 88 Cb 0.00 -1.31 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 2yux s TYR 88 CO -0.01 0.57 0.35 -0.06 -1.57 0.00 0.00 175.55 174.83 2yux s PHE 89 N -2.20 -0.45 -0.03 2.71 0.08 -1.26 -2.71 117.98 114.13 2yux s PHE 89 Ca 0.32 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.40 2yux s PHE 89 Cb -0.07 0.16 0.02 0.00 -0.57 0.00 0.00 43.02 42.56 2yux s PHE 89 CO 0.22 -0.25 0.00 -0.98 -0.10 0.00 0.00 175.22 174.12 2yux s ARG 90 N 0.78 0.27 -0.20 0.44 1.70 -1.19 -3.21 118.95 117.54 2yux s ARG 90 Ca -0.05 0.07 -0.09 0.00 -0.47 0.00 0.00 55.73 55.19 2yux s ARG 90 Cb -0.06 -0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 33.84 2yux s ARG 90 CO -0.06 -0.12 0.11 0.08 -1.08 0.00 0.00 175.30 174.24 2yux s VAL 91 N 0.92 5.22 0.50 4.99 1.01 -1.26 -3.26 120.40 128.52 2yux s VAL 91 Ca -0.09 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.09 2yux s VAL 91 Cb -0.13 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.90 2yux s VAL 91 CO -0.02 0.44 0.52 -0.36 0.00 0.00 0.00 175.10 175.68 2yux s PHE 92 N 0.43 2.05 -0.19 5.22 0.08 -0.39 -3.96 117.98 121.22 2yux s PHE 92 Ca 0.07 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.48 2yux s PHE 92 Cb -0.12 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2yux s PHE 92 CO -0.01 -0.54 -0.19 -1.12 -0.10 0.00 0.00 175.22 173.26 2yux s SER 93 N -4.34 3.24 0.46 1.36 0.01 -1.26 -3.57 113.70 109.59 2yux s SER 93 Ca 0.49 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 57.11 2yux s SER 93 Cb -0.04 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 2yux s SER 93 CO 0.30 -0.01 0.20 -1.61 0.41 0.00 0.00 173.24 172.52 2yux s GLU 94 N 1.28 2.23 0.00 12.44 0.41 -0.77 -3.36 118.70 130.93 2yux s GLU 94 Ca 0.04 -1.98 0.00 0.00 -0.41 0.00 0.00 54.97 52.62 2yux s GLU 94 Cb -0.13 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 2yux s GLU 94 CO -0.12 -0.27 0.00 -1.71 -0.49 0.00 0.00 175.26 172.67 2yux n ASN 95 N -1.36 0.00 0.00 -0.19 5.15 -1.26 -2.22 115.26 115.38 2yux n ASN 95 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2yux n ASN 95 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2yux n ASN 95 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2yux n MET 96 N 0.00 0.00 0.51 1.20 0.00 -1.26 -4.83 117.12 112.74 2yux n MET 96 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2yux n MET 96 Cb 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 33.22 32.94 2yux n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yux n GLY 98 N -1.65 -0.40 3.89 0.00 0.00 -1.26 -5.13 105.19 100.64 2yux n GLY 98 Ca -0.16 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2yux n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yux s LEU 99 N 0.00 4.12 0.43 0.99 2.01 -1.26 -3.87 118.68 121.10 2yux s LEU 99 Ca 0.00 0.00 -0.23 0.00 0.01 0.00 0.00 54.13 53.91 2yux s LEU 99 Cb 0.00 -2.68 -0.08 0.00 0.01 0.00 0.00 46.19 43.43 2yux s LEU 99 CO 0.00 0.01 1.09 -0.94 1.01 0.00 0.00 176.35 177.52 2yux s SER 100 N -3.48 6.51 0.43 2.29 1.04 -1.21 -4.84 113.70 114.44 2yux s SER 100 Ca 0.33 2.12 0.13 0.00 0.48 0.00 0.00 55.95 59.01 2yux s SER 100 Cb -0.10 -2.59 1.02 0.00 0.10 0.00 0.00 66.02 64.45 2yux s SER 100 CO 0.27 -0.67 1.99 -0.33 0.98 0.00 0.00 173.24 175.48 2yux h GLU 101 N 2.24 0.40 -3.94 4.02 5.08 -1.96 -3.42 114.58 117.00 2yux h GLU 101 Ca -0.49 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.67 2yux h GLU 101 Cb 1.23 -0.09 -0.22 0.00 0.50 0.00 0.00 28.75 30.17 2yux h GLU 101 CO 0.61 0.27 -0.70 0.16 -1.00 0.00 0.00 179.01 178.35 2yux s ASP 102 N -6.31 0.20 0.19 1.42 -4.77 -1.26 -5.16 116.67 100.98 2yux s ASP 102 Ca -0.08 -0.42 0.11 0.00 -3.30 0.00 0.00 52.55 48.86 2yux s ASP 102 Cb 0.19 0.08 -0.04 0.00 -1.09 0.00 0.00 42.92 42.06 2yux s ASP 102 CO 0.75 -0.25 -0.23 0.00 0.70 0.00 0.00 175.17 176.13 2yux s ALA 103 N -1.23 2.48 -0.67 2.11 0.00 -1.26 -4.42 121.76 118.76 2yux s ALA 103 Ca -0.14 -1.63 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 2yux s ALA 103 Cb -0.08 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.81 2yux s ALA 103 CO -0.01 0.41 0.93 0.99 0.00 0.00 0.00 175.76 178.07 2yux s THR 104 N -1.72 4.46 0.44 0.00 2.01 -1.25 -4.96 115.64 114.61 2yux s THR 104 Ca 0.20 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2yux s THR 104 Cb -0.08 -4.66 -0.09 0.00 0.01 0.00 0.00 72.50 67.69 2yux s THR 104 CO 0.10 -1.40 0.90 -0.32 -0.69 0.00 0.00 174.62 173.20 2yux s MET 105 N 3.66 4.02 0.08 4.92 1.75 -1.26 -4.16 119.30 128.31 2yux s MET 105 Ca 0.21 0.88 -0.31 0.00 -1.25 0.00 0.00 55.69 55.22 2yux s MET 105 Cb -0.17 -2.24 -0.10 0.00 2.84 0.00 0.00 34.83 35.15 2yux s MET 105 CO 0.08 -0.08 1.90 0.25 -0.65 0.00 0.00 175.02 176.51 2yux n THR 106 N -1.03 0.54 -0.65 10.11 -2.24 -1.20 -4.79 114.28 115.03 2yux n THR 106 Ca 0.05 -0.10 0.50 0.00 -2.27 0.00 0.00 64.05 62.24 2yux n THR 106 Cb 0.54 -2.20 0.79 0.00 -2.10 0.00 0.00 70.33 67.36 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 9.39 0.00 -4.42 -0.78 1.79 -1.94 -3.39 116.57 117.23 2yux h LYS 107 Ca -0.48 -0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.81 2yux h LYS 107 Cb 1.23 -0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.73 2yux h LYS 107 CO 0.94 0.00 -0.63 -1.21 -1.08 0.00 0.00 179.45 177.48 2yux s GLU 108 N -4.95 0.96 0.60 3.15 2.02 -1.26 -5.17 118.70 114.05 2yux s GLU 108 Ca -0.06 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.45 2yux s GLU 108 Cb 0.28 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.79 2yux s GLU 108 CO 0.88 -0.28 0.89 -1.54 0.02 0.00 0.00 175.26 175.23 2yux s SER 109 N -3.05 5.31 -0.25 -0.19 1.04 -1.26 -4.96 113.70 110.34 2yux s SER 109 Ca 0.25 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 2yux s SER 109 Cb 0.07 -1.34 -0.03 0.00 0.10 0.00 0.00 66.02 64.82 2yux s SER 109 CO 0.03 -1.21 0.06 0.00 0.98 0.00 0.00 173.24 173.10 2yux s ALA 110 N -2.98 3.15 -0.20 5.32 0.00 -1.12 -4.94 121.76 120.98 2yux s ALA 110 Ca 0.56 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2yux s ALA 110 Cb -0.10 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2yux s ALA 110 CO 0.43 -0.47 0.78 0.08 0.00 0.00 0.00 175.76 176.58 2yux s VAL 111 N 1.57 4.90 0.27 0.00 1.01 -1.26 -2.86 120.40 124.04 2yux s VAL 111 Ca 0.06 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 2yux s VAL 111 Cb -0.15 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2yux s VAL 111 CO 0.03 0.01 0.95 -0.63 0.00 0.00 0.00 175.10 175.47 2yux s ILE 112 N 2.35 4.08 -0.19 2.22 -1.09 -0.46 -4.95 121.20 123.17 2yux s ILE 112 Ca 0.35 1.95 -0.31 0.00 -2.23 0.00 0.00 60.65 60.41 2yux s ILE 112 Cb -0.16 -4.19 0.15 0.00 -1.58 0.00 0.00 42.46 36.68 2yux s ILE 112 CO 0.10 0.36 1.13 0.00 -1.23 0.00 0.00 174.94 175.30 2yux s ALA 113 N -1.34 -2.00 -0.29 9.38 0.00 -1.25 -2.38 121.76 123.87 2yux s ALA 113 Ca 0.45 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 2yux s ALA 113 Cb -0.24 -0.71 0.12 0.00 0.00 0.00 0.00 23.12 22.30 2yux s ALA 113 CO 0.29 -0.38 2.31 -2.13 0.00 0.00 0.00 175.76 175.85 2yux n ARG 114 N 0.41 1.87 -4.99 0.00 0.63 -1.26 -2.21 116.66 111.10 2yux n ARG 114 Ca -0.05 -1.53 -0.32 0.00 -0.92 0.00 0.00 57.85 55.03 2yux n ARG 114 Cb 0.59 -1.70 -0.15 0.00 0.45 0.00 0.00 32.46 31.65 2yux n ARG 114 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2yux s ASP 115 N 0.55 3.65 -0.14 6.15 2.15 -1.26 -4.86 116.67 122.90 2yux s ASP 115 Ca 0.37 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 2yux s ASP 115 Cb 0.25 -1.17 -0.02 0.00 -0.30 0.00 0.00 42.92 41.68 2yux s ASP 115 CO -0.05 0.23 -0.08 -0.83 -0.17 0.00 0.00 175.17 174.28 2yux s GLY 116 N -0.08 1.65 -0.13 2.66 0.00 -1.26 -4.57 107.32 105.58 2yux s GLY 116 Ca -0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 2yux s GLY 116 CO 0.04 -0.12 -0.01 1.25 0.00 0.00 0.00 173.10 174.26 2yux s LYS 117 N 0.34 3.45 0.00 2.90 2.47 -1.26 -5.10 119.74 122.54 2yux s LYS 117 Ca -0.07 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 53.89 2yux s LYS 117 Cb -0.15 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.31 2yux s LYS 117 CO 0.04 0.42 0.00 -0.89 0.16 0.00 0.00 175.35 175.08 2yux n ILE 118 N 3.01 0.00 0.00 5.43 -0.00 -1.26 -5.13 119.36 121.41 2yux n ILE 118 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 2yux n ILE 118 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 2yux n ILE 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2yux n TYR 119 N 0.00 0.00 0.00 1.39 4.19 -1.26 -5.26 117.16 116.22 2yux n TYR 119 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2yux n TYR 119 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2yux n TYR 119 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94