#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 -0.90 0.09 1.61 0.15 -1.26 -5.17 113.70 108.22 2yux s SER 2 Ca 0.00 1.41 -0.26 0.00 0.70 0.00 0.00 55.95 57.80 2yux s SER 2 Cb 0.00 1.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.86 2yux s SER 2 CO 0.00 -0.22 0.91 -0.44 1.20 0.00 0.00 173.24 174.69 2yux s SER 3 N 1.75 -0.27 0.00 5.45 0.01 -1.26 -5.19 113.70 114.20 2yux s SER 3 Ca -0.09 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2yux s SER 3 Cb -0.06 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2yux s SER 3 CO -0.19 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2yux n GLY 4 N -0.38 3.75 3.24 3.44 0.00 -1.26 -5.17 105.19 108.81 2yux n GLY 4 Ca -0.08 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.30 -0.12 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.21 2yux s SER 5 Ca 0.00 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 2yux s SER 5 Cb 0.00 1.13 0.14 0.00 0.10 0.00 0.00 66.02 67.39 2yux s SER 5 CO 0.00 -0.02 0.94 -0.44 0.98 0.00 0.00 173.24 174.69 2yux s SER 6 N 2.01 -0.57 0.00 7.02 0.01 -1.26 -5.15 113.70 115.76 2yux s SER 6 Ca -0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2yux s SER 6 Cb -0.01 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.44 2yux s SER 6 CO -0.16 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2yux n GLY 7 N 3.77 2.95 3.62 3.44 0.00 -1.26 -5.19 105.19 112.52 2yux n GLY 7 Ca -0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 2yux n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yux s ALA 8 N 0.00 -2.06 -0.39 4.61 0.00 -1.26 -5.09 121.76 117.56 2yux s ALA 8 Ca 0.00 1.75 0.09 0.00 0.00 0.00 0.00 51.96 53.80 2yux s ALA 8 Cb 0.00 -0.96 0.29 0.00 0.00 0.00 0.00 23.12 22.44 2yux s ALA 8 CO 0.00 -0.35 0.63 0.45 0.00 0.00 0.00 175.76 176.49 2yux n SER 9 N 0.41 0.18 -3.57 0.00 2.88 -1.26 -5.09 113.62 107.17 2yux n SER 9 Ca -0.02 -2.86 -0.15 0.00 -1.33 0.00 0.00 58.87 54.50 2yux n SER 9 Cb 0.58 -0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2yux n SER 9 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2yux s ILE 10 N -1.49 0.00 -0.52 2.46 2.07 -1.26 -5.11 121.20 117.34 2yux s ILE 10 Ca 0.36 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.64 2yux s ILE 10 Cb 0.24 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.97 2yux s ILE 10 CO -0.10 0.00 0.30 -1.81 -1.91 0.00 0.00 174.94 171.42 2yux s ASP 11 N -0.58 4.01 -1.14 4.50 1.11 -1.26 -5.03 116.67 118.28 2yux s ASP 11 Ca -0.05 -3.05 -0.22 0.00 0.18 0.00 0.00 52.55 49.41 2yux s ASP 11 Cb -0.02 -1.35 -0.03 0.00 1.07 0.00 0.00 42.92 42.58 2yux s ASP 11 CO 0.05 -0.21 1.85 -0.63 1.18 0.00 0.00 175.17 177.41 2yux s ILE 12 N -0.28 3.68 -0.88 0.77 1.01 -1.26 -4.86 121.20 119.38 2yux s ILE 12 Ca 0.20 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2yux s ILE 12 Cb -0.19 -4.64 0.23 0.00 0.01 0.00 0.00 42.46 37.87 2yux s ILE 12 CO -0.04 -1.29 0.82 -1.10 0.00 0.00 0.00 174.94 173.33 2yux s GLN 13 N 5.97 3.64 -0.41 2.79 -0.21 -1.26 -4.97 119.66 125.21 2yux s GLN 13 Ca 0.64 -2.70 0.04 0.00 0.02 0.00 0.00 55.36 53.35 2yux s GLN 13 Cb -0.01 -4.37 0.11 0.00 1.00 0.00 0.00 33.01 29.74 2yux s GLN 13 CO 0.07 -1.27 0.13 0.42 -2.12 0.00 0.00 175.29 172.53 2yux s ILE 14 N -0.29 2.43 0.50 1.08 1.01 -1.26 -5.09 121.20 119.58 2yux s ILE 14 Ca 0.21 -2.69 -0.22 0.00 0.00 0.00 0.00 60.65 57.96 2yux s ILE 14 Cb -0.11 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 2yux s ILE 14 CO -0.08 -0.67 1.23 0.27 0.00 0.00 0.00 174.94 175.68 2yux s ILE 15 N 0.48 2.74 0.00 2.92 -5.25 -1.26 -5.00 121.20 115.83 2yux s ILE 15 Ca 0.13 0.54 0.00 0.00 -0.99 0.00 0.00 60.65 60.33 2yux s ILE 15 Cb -0.22 -3.27 0.00 0.00 2.95 0.00 0.00 42.46 41.93 2yux s ILE 15 CO -0.05 -0.02 0.00 -0.67 -1.79 0.00 0.00 174.94 172.41 2yux n ASP 16 N -0.81 0.00 -4.50 4.36 -0.08 -1.26 -5.13 116.55 109.12 2yux n ASP 16 Ca 0.09 0.00 -0.50 0.00 -1.51 0.00 0.00 54.79 52.87 2yux n ASP 16 Cb 0.47 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.89 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux n ARG 17 N -0.24 0.56 -2.50 -0.67 1.74 -1.26 -4.88 116.66 109.41 2yux n ARG 17 Ca 0.00 0.20 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 2yux n ARG 17 Cb 0.00 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 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 -0.68 4.66 1.02 5.56 0.04 -1.26 -5.02 135.00 139.30 2yux s PRO 18 Ca 0.71 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2yux s PRO 18 Cb -0.94 -3.19 0.21 0.00 0.04 0.00 0.00 34.50 30.63 2yux s PRO 18 CO 0.56 0.24 1.25 0.20 0.04 0.00 0.00 177.00 179.28 2yux s GLY 19 N -0.92 1.71 0.96 0.56 0.00 -1.26 -4.27 107.32 104.09 2yux s GLY 19 Ca 0.44 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 2yux s GLY 19 CO 0.40 -0.30 1.16 2.56 0.00 0.00 0.00 173.10 176.92 2yux s PRO 20 N -5.72 0.74 0.46 2.90 0.04 -1.26 -4.51 135.00 127.65 2yux s PRO 20 Ca 0.72 0.14 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 2yux s PRO 20 Cb -0.06 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2yux s PRO 20 CO 0.54 -2.44 1.04 -1.25 0.04 0.00 0.00 177.00 174.94 2yux s PRO 21 N -5.39 3.92 0.28 0.56 0.04 -1.26 -4.88 135.00 128.26 2yux s PRO 21 Ca 0.66 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2yux s PRO 21 Cb -0.12 -2.24 0.61 0.00 0.04 0.00 0.00 34.50 32.78 2yux s PRO 21 CO 0.54 -0.34 1.61 1.96 0.04 0.00 0.00 177.00 180.80 2yux h GLN 22 N 1.87 0.08 -2.84 4.56 4.20 -1.67 -3.44 115.11 117.86 2yux h GLN 22 Ca -0.49 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.27 2yux h GLN 22 Cb 1.22 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.89 2yux h GLN 22 CO 0.60 0.05 0.28 -1.50 -0.67 0.00 0.00 178.83 177.59 2yux s ILE 23 N -6.05 0.00 -0.06 2.54 -1.16 -1.26 -4.99 121.20 110.22 2yux s ILE 23 Ca -0.13 -0.48 -0.02 0.00 -0.51 0.00 0.00 60.65 59.50 2yux s ILE 23 Cb 0.26 -1.53 0.04 0.00 0.61 0.00 0.00 42.46 41.84 2yux s ILE 23 CO 0.77 0.00 0.09 -0.69 -2.81 0.00 0.00 174.94 172.30 2yux s VAL 24 N -3.69 -0.15 0.42 4.00 1.01 -1.26 -1.27 120.40 119.45 2yux s VAL 24 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2yux s VAL 24 Cb -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2yux s VAL 24 CO -0.03 0.15 0.06 -0.54 0.00 0.00 0.00 175.10 174.75 2yux s LYS 25 N 2.20 1.95 -0.29 2.72 1.02 0.54 -4.19 119.74 123.69 2yux s LYS 25 Ca 0.04 -2.18 0.02 0.00 0.02 0.00 0.00 55.97 53.87 2yux s LYS 25 Cb -0.12 -1.06 0.06 0.00 -0.52 0.00 0.00 37.83 36.20 2yux s LYS 25 CO -0.04 -0.33 -0.05 0.42 -0.92 0.00 0.00 175.35 174.43 2yux s ILE 26 N -3.07 2.44 0.26 2.17 1.01 -1.26 0.17 121.20 122.92 2yux s ILE 26 Ca 0.23 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.15 2yux s ILE 26 Cb 0.05 -2.49 0.30 0.00 0.01 0.00 0.00 42.46 40.32 2yux s ILE 26 CO 0.12 -0.15 1.63 -0.33 0.00 0.00 0.00 174.94 176.21 2yux h GLU 27 N 7.82 0.11 0.00 2.79 4.39 0.11 -3.47 114.58 126.33 2yux h GLU 27 Ca -0.17 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2yux h GLU 27 Cb 1.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2yux h GLU 27 CO 0.50 0.07 0.00 -3.47 -1.16 0.00 0.00 179.01 174.95 2yux n ASP 28 N -5.34 0.00 -3.70 1.42 -0.08 -1.06 -4.98 116.55 102.81 2yux n ASP 28 Ca 0.16 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.31 2yux n ASP 28 Cb 0.53 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.86 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux s VAL 29 N -2.08 -0.21 0.08 5.18 0.11 -1.26 0.13 120.40 122.35 2yux s VAL 29 Ca 0.00 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2yux s VAL 29 Cb 0.00 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2yux s VAL 29 CO 0.00 0.08 -0.06 -1.66 -3.33 0.00 0.00 175.10 170.13 2yux s TRP 30 N 1.80 0.78 0.00 1.54 -2.14 -0.52 -4.58 118.94 115.82 2yux s TRP 30 Ca -0.05 -0.88 0.00 0.00 2.66 0.00 0.00 56.10 57.83 2yux s TRP 30 Cb -0.11 -0.47 0.00 0.00 -3.10 0.00 0.00 33.47 29.79 2yux s TRP 30 CO -0.09 -0.18 0.00 0.41 -2.66 0.00 0.00 176.95 174.43 2yux n GLY 31 N 0.20 1.90 2.19 3.67 0.00 -1.22 -0.20 105.19 111.72 2yux n GLY 31 Ca -0.14 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 12.47 3.37 -3.88 1.61 1.02 -1.26 -4.29 120.64 129.68 2yux n GLU 32 Ca 0.00 -4.02 -0.11 0.00 -0.02 0.00 0.00 57.16 53.01 2yux n GLU 32 Cb 0.00 -2.28 -0.12 0.00 -0.02 0.00 0.00 31.44 29.03 2yux n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yux s ASN 33 N -3.13 0.01 0.07 1.62 2.20 0.72 -3.12 114.94 113.30 2yux s ASN 33 Ca 0.53 -0.08 0.09 0.00 -0.94 0.00 0.00 52.86 52.47 2yux s ASN 33 Cb 0.43 0.18 -0.03 0.00 -2.00 0.00 0.00 41.25 39.83 2yux s ASN 33 CO -0.02 -0.20 -0.26 -0.69 -2.94 0.00 0.00 177.10 172.99 2yux s VAL 34 N -0.72 2.11 -0.25 3.54 1.01 -0.94 -1.44 120.40 123.71 2yux s VAL 34 Ca -0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 2yux s VAL 34 Cb -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2yux s VAL 34 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.38 2yux s ALA 35 N -0.87 2.89 0.14 5.51 0.00 0.35 0.61 121.76 130.38 2yux s ALA 35 Ca 0.12 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2yux s ALA 35 Cb -0.10 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2yux s ALA 35 CO 0.03 -0.69 0.22 -0.51 0.00 0.00 0.00 175.76 174.81 2yux s LEU 36 N 1.46 4.16 -0.23 0.00 1.43 -1.15 0.14 118.68 124.49 2yux s LEU 36 Ca 0.03 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2yux s LEU 36 Cb -0.16 -2.75 0.12 0.00 0.03 0.00 0.00 46.19 43.43 2yux s LEU 36 CO -0.01 0.08 0.30 0.42 0.23 0.00 0.00 176.35 177.37 2yux s THR 37 N -1.69 -0.45 0.15 5.49 -4.23 0.46 -3.88 115.64 111.49 2yux s THR 37 Ca 0.33 -0.16 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 2yux s THR 37 Cb -0.11 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2yux s THR 37 CO 0.27 -0.21 -0.16 -1.66 -0.54 0.00 0.00 174.62 172.31 2yux s TRP 38 N 2.42 2.53 0.37 3.99 -2.14 -1.16 0.20 118.94 125.15 2yux s TRP 38 Ca 0.10 -0.27 0.00 0.00 2.66 0.00 0.00 56.10 58.59 2yux s TRP 38 Cb -0.15 -1.30 -0.03 0.00 -3.10 0.00 0.00 33.47 28.89 2yux s TRP 38 CO -0.17 0.44 0.57 0.95 -2.66 0.00 0.00 176.95 176.09 2yux s THR 39 N -1.39 4.91 0.81 0.66 -4.23 -0.40 -4.84 115.64 111.17 2yux s THR 39 Ca 0.20 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 2yux s THR 39 Cb -0.10 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.03 2yux s THR 39 CO 0.12 -0.53 1.10 -2.16 -0.54 0.00 0.00 174.62 172.61 2yux s PRO 40 N -4.37 1.94 0.63 3.99 0.04 -1.26 -3.83 135.00 132.14 2yux s PRO 40 Ca 0.42 0.58 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 2yux s PRO 40 Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2yux s PRO 40 CO 0.37 -1.70 1.05 -1.25 0.04 0.00 0.00 177.00 175.50 2yux s PRO 41 N -5.18 3.22 0.00 0.56 0.04 -1.26 -3.84 135.00 128.54 2yux s PRO 41 Ca 0.61 1.09 0.24 0.00 0.04 0.00 0.00 61.00 62.98 2yux s PRO 41 Cb -0.14 -2.02 0.28 0.00 0.04 0.00 0.00 34.50 32.66 2yux s PRO 41 CO 0.54 -0.88 1.26 1.63 0.04 0.00 0.00 177.00 179.59 2yux n LYS 42 N -2.42 0.28 0.00 4.56 5.02 -1.26 -4.46 118.16 119.88 2yux n LYS 42 Ca 0.08 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2yux n LYS 42 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2yux n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2yux n ASP 43 N -1.19 0.00 -4.12 4.39 2.03 -1.26 -4.96 116.55 111.44 2yux n ASP 43 Ca 0.07 0.26 -0.45 0.00 0.52 0.00 0.00 54.79 55.18 2yux n ASP 43 Cb 0.35 -0.41 0.01 0.00 -0.72 0.00 0.00 41.12 40.34 2yux n ASP 43 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2yux n ASP 44 N -1.96 -3.45 -2.81 1.67 -0.08 -1.26 -4.89 116.55 103.78 2yux n ASP 44 Ca 0.00 -1.29 -0.08 0.00 -1.51 0.00 0.00 54.79 51.91 2yux n ASP 44 Cb 0.00 -1.55 0.02 0.00 2.34 0.00 0.00 41.12 41.92 2yux n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yux n GLY 45 N -2.15 0.02 0.00 0.27 0.00 -1.26 -4.99 105.19 97.08 2yux n GLY 45 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2yux n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yux n ASN 46 N 2.25 0.00 -3.75 1.61 2.85 -1.26 -4.82 115.26 112.14 2yux n ASN 46 Ca 0.14 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.38 2yux n ASN 46 Cb 0.59 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.43 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yux s ALA 47 N 0.00 0.67 -0.50 5.20 0.00 -1.26 -5.06 121.76 120.81 2yux s ALA 47 Ca 0.00 -0.16 -0.44 0.00 0.00 0.00 0.00 51.96 51.36 2yux s ALA 47 Cb 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 23.12 22.14 2yux s ALA 47 CO 0.00 -0.57 2.13 0.00 0.00 0.00 0.00 175.76 177.32 2yux n ALA 48 N 5.16 0.21 -1.52 0.00 0.00 -1.26 -4.56 120.51 118.54 2yux n ALA 48 Ca -0.07 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 2yux n ALA 48 Cb 0.50 -2.09 -0.14 0.00 0.00 0.00 0.00 19.45 17.72 2yux n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yux n ILE 49 N 6.47 -0.02 -0.15 0.00 -0.00 -1.26 -4.71 119.36 119.69 2yux n ILE 49 Ca 0.54 -0.39 -0.06 0.00 -0.00 0.00 0.00 62.75 62.85 2yux n ILE 49 Cb -0.04 -1.02 0.01 0.00 -0.00 0.00 0.00 39.64 38.58 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 7.59 0.26 0.00 1.39 2.02 -1.79 -3.48 112.91 118.90 2yux h THR 50 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2yux h THR 50 Cb 1.20 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2yux h THR 50 CO 1.36 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.86 2yux n GLY 51 N -1.42 1.52 3.41 2.16 0.00 -1.24 -4.57 105.19 105.05 2yux n GLY 51 Ca 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.11 -0.96 0.00 1.61 1.51 -1.26 -3.44 117.35 114.70 2yux s TYR 52 Ca 0.00 1.79 -0.28 0.00 -1.01 0.00 0.00 57.07 57.57 2yux s TYR 52 Cb 0.00 0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 42.29 2yux s TYR 52 CO 0.00 -0.53 0.90 0.99 -1.11 0.00 0.00 175.55 175.80 2yux s THR 53 N 2.48 4.85 -0.01 -0.71 2.01 -1.23 -4.19 115.64 118.85 2yux s THR 53 Ca -0.05 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.86 2yux s THR 53 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2yux s THR 53 CO -0.15 0.22 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.35 2yux s ILE 54 N 0.73 4.04 -0.02 1.82 1.09 -0.69 -0.15 121.20 128.02 2yux s ILE 54 Ca 0.47 -0.62 -0.00 0.00 -1.10 0.00 0.00 60.65 59.40 2yux s ILE 54 Cb -0.21 -2.79 0.03 0.00 -1.06 0.00 0.00 42.46 38.44 2yux s ILE 54 CO 0.26 0.40 0.03 -1.10 -0.10 0.00 0.00 174.94 174.42 2yux s GLN 55 N -1.48 0.03 0.11 2.79 -0.21 -0.94 -0.61 119.66 119.35 2yux s GLN 55 Ca 0.19 0.19 0.06 0.00 0.02 0.00 0.00 55.36 55.81 2yux s GLN 55 Cb -0.11 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.53 2yux s GLN 55 CO 0.09 -0.18 -0.05 -1.59 -2.12 0.00 0.00 175.29 171.44 2yux s LYS 56 N 1.19 2.34 0.04 2.91 -2.85 -1.25 -2.07 119.74 120.04 2yux s LYS 56 Ca -0.08 -0.95 -0.19 0.00 -1.00 0.00 0.00 55.97 53.75 2yux s LYS 56 Cb -0.13 -2.41 0.04 0.00 -2.06 0.00 0.00 37.83 33.27 2yux s LYS 56 CO -0.03 0.52 0.43 0.00 0.10 0.00 0.00 175.35 176.37 2yux s ALA 57 N -1.31 -1.08 0.37 0.59 0.00 -1.09 -2.49 121.76 116.75 2yux s ALA 57 Ca 0.24 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.68 2yux s ALA 57 Cb -0.11 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 2yux s ALA 57 CO 0.16 -0.44 0.48 0.16 0.00 0.00 0.00 175.76 176.12 2yux s ASP 58 N -1.91 5.74 -0.23 0.00 1.47 -1.26 -0.25 116.67 120.24 2yux s ASP 58 Ca -0.06 -0.33 0.04 0.00 1.18 0.00 0.00 52.55 53.37 2yux s ASP 58 Cb -0.01 -0.97 0.40 0.00 -0.34 0.00 0.00 42.92 42.00 2yux s ASP 58 CO -0.01 -0.55 1.45 0.29 0.68 0.00 0.00 175.17 177.02 2yux n LYS 59 N -1.68 2.05 -0.07 2.11 5.02 -1.25 -1.06 118.16 123.27 2yux n LYS 59 Ca 0.03 -1.71 -0.14 0.00 -2.02 0.00 0.00 58.31 54.46 2yux n LYS 59 Cb 0.59 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 2yux n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yux n LYS 60 N -0.25 0.31 0.00 1.97 5.02 -1.26 -4.78 118.16 119.18 2yux n LYS 60 Ca 0.30 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2yux n LYS 60 Cb 1.08 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2yux n SER 61 N -3.51 0.60 -3.20 4.39 7.64 -1.25 -5.00 113.62 113.30 2yux n SER 61 Ca -0.28 -0.87 -0.19 0.00 1.01 0.00 0.00 58.87 58.55 2yux n SER 61 Cb 0.71 0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 64.07 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 -0.17 -2.69 -2.94 1.43 2.81 -0.22 -4.88 117.12 110.46 2yux n MET 62 Ca 0.00 0.31 -0.40 0.00 -1.81 0.00 0.00 57.70 55.80 2yux n MET 62 Cb 0.04 -4.92 -0.05 0.00 -0.71 0.00 0.00 33.22 27.58 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 -5.80 4.53 -0.24 0.03 0.41 -1.26 -4.87 118.70 111.50 2yux s GLU 63 Ca 0.31 1.13 -0.09 0.00 -0.41 0.00 0.00 54.97 55.91 2yux s GLU 63 Cb -0.17 -3.36 -0.04 0.00 -1.78 0.00 0.00 34.13 28.78 2yux s GLU 63 CO 0.38 0.29 0.12 -1.58 -0.49 0.00 0.00 175.26 173.97 2yux s TRP 64 N -0.11 3.21 -0.20 1.61 0.52 -1.26 -3.82 118.94 118.89 2yux s TRP 64 Ca 0.40 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.51 2yux s TRP 64 Cb -0.21 -2.24 0.04 0.00 -1.15 0.00 0.00 33.47 29.90 2yux s TRP 64 CO 0.24 -0.09 -0.14 -0.06 0.02 0.00 0.00 176.95 176.92 2yux s PHE 65 N 1.23 2.68 -0.50 -1.98 0.40 -1.04 -4.97 117.98 113.79 2yux s PHE 65 Ca 0.06 -1.71 -0.45 0.00 -0.60 0.00 0.00 56.93 54.23 2yux s PHE 65 Cb -0.14 -1.79 -0.19 0.00 0.51 0.00 0.00 43.02 41.40 2yux s PHE 65 CO 0.05 -0.78 1.88 2.41 0.70 0.00 0.00 175.22 179.48 2yux n THR 66 N 4.62 0.00 -0.06 0.64 -1.04 -1.26 -3.76 114.28 113.42 2yux n THR 66 Ca -0.17 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 2yux n THR 66 Cb 0.47 -0.50 -0.13 0.00 -1.82 0.00 0.00 70.33 68.36 2yux n THR 66 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2yux h VAL 67 N 6.04 0.89 -2.29 12.58 2.07 -1.24 -3.49 116.25 130.81 2yux h VAL 67 Ca -0.26 -2.26 -0.07 0.00 0.82 0.00 0.00 66.70 64.93 2yux h VAL 67 Cb 1.39 2.40 -0.21 0.00 -1.52 0.00 0.00 31.29 33.35 2yux h VAL 67 CO 1.04 0.53 0.02 -0.51 0.02 0.00 0.00 177.57 178.66 2yux s ILE 68 N -2.42 0.01 0.19 4.57 2.07 -1.17 -4.98 121.20 119.47 2yux s ILE 68 Ca -0.26 -0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 2yux s ILE 68 Cb 0.06 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.74 2yux s ILE 68 CO 0.67 -0.03 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.91 2yux s GLU 69 N -0.25 1.29 -1.34 3.50 2.02 -1.26 -1.71 118.70 120.95 2yux s GLU 69 Ca -0.04 -1.54 -0.18 0.00 0.02 0.00 0.00 54.97 53.22 2yux s GLU 69 Cb -0.03 -1.11 0.02 0.00 0.10 0.00 0.00 34.13 33.11 2yux s GLU 69 CO 0.04 0.19 0.44 0.72 0.02 0.00 0.00 175.26 176.66 2yux n HIS 70 N -0.24 -1.42 -1.09 1.61 8.25 -1.26 -4.93 115.22 116.14 2yux n HIS 70 Ca -0.09 0.35 -0.04 0.00 -0.26 0.00 0.00 57.72 57.68 2yux n HIS 70 Cb 0.60 -2.95 0.03 0.00 1.12 0.00 0.00 29.99 28.79 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 -4.76 -3.93 0.00 4.41 9.36 -1.26 -4.84 117.16 116.14 2yux n TYR 71 Ca -0.20 -0.17 0.00 0.00 3.32 0.00 0.00 57.90 60.85 2yux n TYR 71 Cb 0.62 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 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 -2.31 0.00 -0.44 2.98 -0.00 -1.26 -3.63 115.22 110.55 2yux n HIS 72 Ca 0.02 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.92 2yux n HIS 72 Cb 0.08 0.25 0.24 0.00 -0.12 0.00 0.00 29.99 30.45 2yux n HIS 72 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2yux n ARG 73 N -2.46 -3.03 -0.10 1.57 3.00 -1.26 -4.84 116.66 109.54 2yux n ARG 73 Ca 0.00 -0.88 0.09 0.00 -0.00 0.00 0.00 57.85 57.06 2yux n ARG 73 Cb 0.00 -1.92 0.14 0.00 0.00 0.00 0.00 32.46 30.68 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 -5.09 0.33 -4.13 5.15 -2.24 -1.26 -4.78 114.28 102.27 2yux n THR 74 Ca 0.05 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 2yux n THR 74 Cb 0.55 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.37 0.56 -0.06 3.42 1.04 -1.26 -2.98 113.70 113.06 2yux s SER 75 Ca 0.27 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 2yux s SER 75 Cb 0.17 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.25 2yux s SER 75 CO 0.24 0.05 0.15 0.00 0.98 0.00 0.00 173.24 174.66 2yux s ALA 76 N -0.16 -0.36 -0.32 5.32 0.00 -1.25 -5.02 121.76 119.97 2yux s ALA 76 Ca 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 2yux s ALA 76 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2yux s ALA 76 CO -0.00 -0.08 0.54 0.99 0.00 0.00 0.00 175.76 177.20 2yux s THR 77 N 0.19 5.01 0.72 0.00 2.01 -1.26 -2.92 115.64 119.39 2yux s THR 77 Ca -0.01 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 2yux s THR 77 Cb -0.02 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.58 2yux s THR 77 CO -0.00 -0.13 1.07 -0.63 -0.69 0.00 0.00 174.62 174.24 2yux s ILE 78 N 2.42 3.76 0.11 1.82 -1.09 0.20 -4.83 121.20 123.60 2yux s ILE 78 Ca 0.21 0.57 0.03 0.00 -2.23 0.00 0.00 60.65 59.22 2yux s ILE 78 Cb -0.15 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 2yux s ILE 78 CO 0.12 -0.75 0.09 0.35 -1.23 0.00 0.00 174.94 173.53 2yux n THR 79 N -3.18 0.00 -3.60 2.92 -2.24 -1.26 -2.22 114.28 104.69 2yux n THR 79 Ca 0.07 -0.82 -0.23 0.00 -2.27 0.00 0.00 64.05 60.80 2yux n THR 79 Cb 0.55 0.40 0.02 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.22 -1.28 -4.96 -0.78 1.02 -1.18 -4.90 120.64 108.34 2yux n GLU 80 Ca 0.02 0.77 -0.27 0.00 -0.02 0.00 0.00 57.16 57.66 2yux n GLU 80 Cb 0.20 -3.77 -0.16 0.00 -0.02 0.00 0.00 31.44 27.69 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 -5.48 1.97 -0.13 -4.62 1.43 -1.22 -5.06 118.68 105.57 2yux s LEU 81 Ca 0.21 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 2yux s LEU 81 Cb -0.08 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2yux s LEU 81 CO 0.86 0.18 0.48 -0.69 0.23 0.00 0.00 176.35 177.41 2yux s VAL 82 N -0.06 5.18 0.22 -1.59 1.01 -1.26 -4.60 120.40 119.30 2yux s VAL 82 Ca -0.03 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 2yux s VAL 82 Cb -0.12 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2yux s VAL 82 CO 0.02 0.31 1.16 -0.63 0.00 0.00 0.00 175.10 175.97 2yux s ILE 83 N 0.71 3.55 0.00 2.22 1.01 -1.26 -4.06 121.20 123.37 2yux s ILE 83 Ca 0.26 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2yux s ILE 83 Cb -0.15 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2yux s ILE 83 CO 0.10 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2yux n GLY 84 N 1.83 0.50 3.76 6.18 0.00 -1.12 -4.99 105.19 111.35 2yux n GLY 84 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.53 -0.02 0.32 1.61 0.01 -1.26 -5.04 114.94 109.04 2yux s ASN 85 Ca 0.00 -0.14 0.09 0.00 -0.71 0.00 0.00 52.86 52.11 2yux s ASN 85 Cb 0.00 0.13 -0.06 0.00 0.41 0.00 0.00 41.25 41.72 2yux s ASN 85 CO 0.00 -0.24 -0.10 -1.61 -1.51 0.00 0.00 177.10 173.64 2yux s GLU 86 N -2.20 1.75 0.10 -0.60 8.01 -1.26 -1.10 118.70 123.40 2yux s GLU 86 Ca 0.20 -1.89 -0.18 0.00 0.01 0.00 0.00 54.97 53.12 2yux s GLU 86 Cb 0.03 -1.60 0.04 0.00 -4.31 0.00 0.00 34.13 28.29 2yux s GLU 86 CO -0.03 0.14 0.43 0.71 0.01 0.00 0.00 175.26 176.51 2yux s TYR 87 N -2.68 -0.26 0.47 1.61 2.02 -1.09 -3.92 117.35 113.51 2yux s TYR 87 Ca 0.32 0.05 0.07 0.00 -0.37 0.00 0.00 57.07 57.13 2yux s TYR 87 Cb 0.02 0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.86 2yux s TYR 87 CO 0.15 -0.67 0.36 0.71 -1.57 0.00 0.00 175.55 174.53 2yux s TYR 88 N -3.36 2.19 -0.20 2.71 2.02 0.65 -2.02 117.35 119.34 2yux s TYR 88 Ca 0.00 -0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 55.76 2yux s TYR 88 Cb 0.01 -2.02 0.08 0.00 -0.40 0.00 0.00 41.96 39.63 2yux s TYR 88 CO -0.09 -0.24 0.79 -0.06 -1.57 0.00 0.00 175.55 174.38 2yux s PHE 89 N -2.63 -0.66 -0.00 2.71 0.08 -1.26 -2.68 117.98 113.54 2yux s PHE 89 Ca 0.41 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.91 2yux s PHE 89 Cb -0.01 0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.78 2yux s PHE 89 CO 0.24 -0.42 -0.00 -0.98 -0.10 0.00 0.00 175.22 173.96 2yux s ARG 90 N -0.23 0.07 -0.17 0.44 1.70 -0.88 -2.78 118.95 117.09 2yux s ARG 90 Ca -0.03 -0.00 -0.06 0.00 -0.47 0.00 0.00 55.73 55.17 2yux s ARG 90 Cb -0.03 -0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.21 2yux s ARG 90 CO 0.02 -0.01 0.01 0.08 -1.08 0.00 0.00 175.30 174.33 2yux s VAL 91 N 0.13 4.33 0.51 4.99 1.01 -1.25 -2.21 120.40 127.91 2yux s VAL 91 Ca -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2yux s VAL 91 Cb -0.02 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.48 2yux s VAL 91 CO -0.00 0.47 0.62 -0.36 0.00 0.00 0.00 175.10 175.83 2yux s PHE 92 N 0.41 1.96 -0.11 5.22 0.08 0.79 -3.72 117.98 122.61 2yux s PHE 92 Ca -0.00 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.42 2yux s PHE 92 Cb -0.13 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2yux s PHE 92 CO 0.02 -0.73 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.16 2yux s SER 93 N -4.46 2.23 0.52 1.36 0.01 -1.26 -3.47 113.70 108.63 2yux s SER 93 Ca 0.54 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2yux s SER 93 Cb -0.06 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 2yux s SER 93 CO 0.33 -0.03 0.00 -1.61 0.41 0.00 0.00 173.24 172.35 2yux s GLU 94 N 1.20 2.22 0.00 12.44 2.02 -1.22 -1.99 118.70 133.37 2yux s GLU 94 Ca -0.03 -2.43 0.00 0.00 0.02 0.00 0.00 54.97 52.53 2yux s GLU 94 Cb -0.14 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.60 2yux s GLU 94 CO -0.04 -0.40 0.00 0.27 0.02 0.00 0.00 175.26 175.11 2yux n ASN 95 N -1.30 0.00 0.00 -0.19 0.23 -1.26 -3.22 115.26 109.51 2yux n ASN 95 Ca -0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 2yux n ASN 95 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 2yux n ASN 95 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 2yux n MET 96 N 0.00 0.00 0.43 -3.83 0.00 -1.26 -4.68 117.12 107.78 2yux n MET 96 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 2yux n MET 96 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 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 -1.56 -0.55 3.82 0.00 0.00 -1.26 -5.08 105.19 100.56 2yux n GLY 98 Ca -0.14 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 4.42 0.18 0.99 2.01 -1.26 -3.87 118.68 121.16 2yux s LEU 99 Ca 0.00 0.85 -0.33 0.00 0.01 0.00 0.00 54.13 54.66 2yux s LEU 99 Cb 0.00 -2.52 -0.14 0.00 0.01 0.00 0.00 46.19 43.54 2yux s LEU 99 CO 0.00 0.28 1.51 -0.24 1.01 0.00 0.00 176.35 178.90 2yux n SER 100 N 2.21 2.88 -0.27 2.29 2.88 -0.84 -4.85 113.62 117.92 2yux n SER 100 Ca -0.14 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.55 2yux n SER 100 Cb 0.52 -1.41 0.19 0.00 -0.75 0.00 0.00 64.21 62.76 2yux n SER 100 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2yux h GLU 101 N 5.30 0.57 -6.45 -1.46 5.08 -1.92 -3.41 114.58 112.28 2yux h GLU 101 Ca -0.45 -0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.24 2yux h GLU 101 Cb 1.27 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 2yux h GLU 101 CO 0.84 0.38 -0.70 -0.51 -1.00 0.00 0.00 179.01 178.01 2yux s ASP 102 N -5.44 4.55 -0.02 1.42 1.11 -1.26 -5.13 116.67 111.90 2yux s ASP 102 Ca -0.12 -0.40 0.03 0.00 0.18 0.00 0.00 52.55 52.24 2yux s ASP 102 Cb 0.20 -0.91 -0.00 0.00 1.07 0.00 0.00 42.92 43.28 2yux s ASP 102 CO 0.77 0.14 -0.11 0.00 1.18 0.00 0.00 175.17 177.15 2yux s ALA 103 N -1.46 0.98 -0.73 5.23 0.00 -1.26 -4.17 121.76 120.35 2yux s ALA 103 Ca 0.24 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 2yux s ALA 103 Cb -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2yux s ALA 103 CO 0.16 0.18 1.43 0.99 0.00 0.00 0.00 175.76 178.52 2yux s THR 104 N 0.06 3.65 0.17 0.00 2.01 -1.24 -4.87 115.64 115.41 2yux s THR 104 Ca -0.01 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 2yux s THR 104 Cb -0.08 -4.70 -0.07 0.00 0.01 0.00 0.00 72.50 67.66 2yux s THR 104 CO 0.00 -1.64 0.94 -0.32 -0.69 0.00 0.00 174.62 172.91 2yux s MET 105 N 6.00 4.76 -0.21 4.92 1.75 -1.26 -3.89 119.30 131.38 2yux s MET 105 Ca 0.43 1.45 -0.39 0.00 -1.25 0.00 0.00 55.69 55.92 2yux s MET 105 Cb -0.09 -3.33 -0.16 0.00 2.84 0.00 0.00 34.83 34.10 2yux s MET 105 CO 0.15 0.37 1.68 0.25 -0.65 0.00 0.00 175.02 176.82 2yux n THR 106 N 2.13 0.26 -0.70 10.11 -2.24 -1.12 -4.72 114.28 118.00 2yux n THR 106 Ca -0.00 -0.05 0.53 0.00 -2.27 0.00 0.00 64.05 62.26 2yux n THR 106 Cb 0.48 -1.18 0.82 0.00 -2.10 0.00 0.00 70.33 68.35 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 6.82 0.00 -4.80 -0.78 1.79 -1.93 -3.40 116.57 114.28 2yux h LYS 107 Ca -0.47 -0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.63 2yux h LYS 107 Cb 1.32 -0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.83 2yux h LYS 107 CO 0.93 0.00 -0.57 -1.21 -1.08 0.00 0.00 179.45 177.52 2yux s GLU 108 N -4.88 1.50 0.34 3.15 2.02 -1.26 -5.17 118.70 114.41 2yux s GLU 108 Ca -0.05 -1.84 0.04 0.00 0.02 0.00 0.00 54.97 53.14 2yux s GLU 108 Cb 0.27 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 2yux s GLU 108 CO 0.90 -0.46 0.51 -1.54 0.02 0.00 0.00 175.26 174.69 2yux s SER 109 N -3.31 6.08 -0.27 -0.19 1.04 -1.26 -4.90 113.70 110.89 2yux s SER 109 Ca 0.38 0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.82 2yux s SER 109 Cb 0.05 -1.60 -0.05 0.00 0.10 0.00 0.00 66.02 64.53 2yux s SER 109 CO 0.18 -0.39 0.16 0.00 0.98 0.00 0.00 173.24 174.16 2yux s ALA 110 N -2.25 3.45 -0.30 5.32 0.00 -0.86 -4.91 121.76 122.21 2yux s ALA 110 Ca 0.42 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 2yux s ALA 110 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2yux s ALA 110 CO 0.33 -0.48 0.79 0.08 0.00 0.00 0.00 175.76 176.48 2yux s VAL 111 N 1.62 4.79 0.23 0.00 1.01 -1.26 -2.65 120.40 124.14 2yux s VAL 111 Ca 0.07 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2yux s VAL 111 Cb -0.15 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2yux s VAL 111 CO 0.08 -0.25 1.14 -0.63 0.00 0.00 0.00 175.10 175.45 2yux s ILE 112 N 2.96 3.55 -0.25 2.22 -1.09 -0.26 -4.92 121.20 123.42 2yux s ILE 112 Ca 0.32 1.43 -0.29 0.00 -2.23 0.00 0.00 60.65 59.89 2yux s ILE 112 Cb -0.14 -3.91 0.17 0.00 -1.58 0.00 0.00 42.46 37.00 2yux s ILE 112 CO 0.12 0.29 1.25 0.00 -1.23 0.00 0.00 174.94 175.38 2yux s ALA 113 N -0.64 -2.07 -1.47 9.38 0.00 -1.26 -2.79 121.76 122.91 2yux s ALA 113 Ca 0.48 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 54.12 2yux s ALA 113 Cb -0.32 -1.34 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 2yux s ALA 113 CO 0.39 -0.24 2.65 0.54 0.00 0.00 0.00 175.76 179.11 2yux n ARG 114 N 0.81 3.23 -3.86 0.00 5.12 -1.26 -3.45 116.66 117.25 2yux n ARG 114 Ca -0.05 -2.18 -0.07 0.00 -1.93 0.00 0.00 57.85 53.61 2yux n ARG 114 Cb 0.58 -2.87 -0.02 0.00 -1.16 0.00 0.00 32.46 28.99 2yux n ARG 114 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2yux s ASP 115 N 2.67 -0.25 -0.30 0.55 2.15 -1.26 -4.88 116.67 115.35 2yux s ASP 115 Ca 0.61 -0.63 -0.12 0.00 0.43 0.00 0.00 52.55 52.84 2yux s ASP 115 Cb 0.16 0.71 0.13 0.00 -0.30 0.00 0.00 42.92 43.61 2yux s ASP 115 CO -0.06 -1.31 0.72 -0.83 -0.17 0.00 0.00 175.17 173.52 2yux s GLY 116 N -2.93 -0.61 -0.27 2.66 0.00 -1.26 -4.33 107.32 100.58 2yux s GLY 116 Ca 0.12 2.49 -0.09 0.00 0.00 0.00 0.00 44.72 47.24 2yux s GLY 116 CO 0.06 2.98 0.13 1.25 0.00 0.00 0.00 173.10 177.52 2yux s LYS 117 N 2.59 3.73 -1.23 2.90 2.47 -1.26 -5.01 119.74 123.93 2yux s LYS 117 Ca -0.06 -0.44 -0.20 0.00 -1.56 0.00 0.00 55.97 53.71 2yux s LYS 117 Cb -0.10 -3.49 0.04 0.00 -1.46 0.00 0.00 37.83 32.82 2yux s LYS 117 CO -0.19 -0.21 1.73 0.42 0.16 0.00 0.00 175.35 177.26 2yux s ILE 118 N 1.67 3.99 -0.94 5.43 1.01 -1.26 -4.72 121.20 126.39 2yux s ILE 118 Ca 0.06 -1.56 0.06 0.00 0.00 0.00 0.00 60.65 59.21 2yux s ILE 118 Cb -0.16 -5.06 0.31 0.00 0.01 0.00 0.00 42.46 37.57 2yux s ILE 118 CO 0.07 -1.84 1.03 0.00 0.00 0.00 0.00 174.94 174.20 2yux n TYR 119 N 9.47 0.74 -1.04 3.97 9.36 -1.26 -5.32 117.16 133.09 2yux n TYR 119 Ca 0.46 -0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.41 2yux n TYR 119 Cb 0.47 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 2yux n TYR 119 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71