#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 -0.23 0.01 1.61 1.04 -1.26 -5.18 113.70 109.70 2yux s SER 2 Ca 0.00 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2yux s SER 2 Cb 0.00 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 2yux s SER 2 CO 0.00 -0.78 -0.07 -0.55 0.98 0.00 0.00 173.24 172.81 2yux s SER 3 N -2.80 0.86 1.19 7.02 0.15 -1.26 -5.15 113.70 113.71 2yux s SER 3 Ca 0.10 -0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.37 2yux s SER 3 Cb -0.01 -0.06 0.29 0.00 -1.71 0.00 0.00 66.02 64.52 2yux s SER 3 CO -0.01 0.02 1.03 -0.83 1.20 0.00 0.00 173.24 174.64 2yux s GLY 4 N -0.52 1.52 0.00 9.45 0.00 -1.26 -5.03 107.32 111.49 2yux s GLY 4 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2yux s GLY 4 CO 0.00 0.39 0.01 -0.45 0.00 0.00 0.00 173.10 173.05 2yux s SER 5 N -2.91 5.20 0.40 1.64 0.15 -1.26 -5.12 113.70 111.80 2yux s SER 5 Ca 0.68 0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.40 2yux s SER 5 Cb -0.21 -1.37 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 2yux s SER 5 CO 0.62 0.27 0.02 -0.44 1.20 0.00 0.00 173.24 174.91 2yux s SER 6 N -1.62 3.67 0.00 5.45 0.01 -1.26 -5.16 113.70 114.80 2yux s SER 6 Ca 0.20 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2yux s SER 6 Cb -0.12 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2yux s SER 6 CO 0.11 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2yux n GLY 7 N -0.93 2.96 0.55 3.44 0.00 -1.26 -5.10 105.19 104.84 2yux n GLY 7 Ca -0.05 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.00 1.90 -1.72 4.61 0.00 -1.26 -5.02 120.51 116.03 2yux n ALA 8 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2yux n ALA 8 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.97 -8.06 -4.57 0.00 7.64 -1.26 -4.81 113.62 98.59 2yux n SER 9 Ca -0.10 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.51 2yux n SER 9 Cb 0.32 -4.29 -0.03 0.00 -1.01 0.00 0.00 64.21 59.20 2yux n SER 9 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2yux s ILE 10 N -1.04 4.25 -0.29 0.44 -4.36 -1.26 -4.95 121.20 114.00 2yux s ILE 10 Ca 0.00 0.88 -0.25 0.00 -0.26 0.00 0.00 60.65 61.02 2yux s ILE 10 Cb 0.00 -4.58 0.14 0.00 1.25 0.00 0.00 42.46 39.26 2yux s ILE 10 CO 0.00 -1.07 1.12 1.51 0.24 0.00 0.00 174.94 176.75 2yux s ASP 11 N 2.59 -0.36 -0.15 4.36 1.47 -1.26 -5.05 116.67 118.28 2yux s ASP 11 Ca 0.41 0.69 -0.13 0.00 1.18 0.00 0.00 52.55 54.70 2yux s ASP 11 Cb -0.09 0.72 0.02 0.00 -0.34 0.00 0.00 42.92 43.23 2yux s ASP 11 CO 0.27 -0.12 0.22 -0.38 0.68 0.00 0.00 175.17 175.85 2yux n ILE 12 N 2.13 -2.43 -4.07 2.11 5.41 -1.26 -4.93 119.36 116.32 2yux n ILE 12 Ca -0.12 0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.62 2yux n ILE 12 Cb 0.56 -2.89 -0.07 0.00 -0.71 0.00 0.00 39.64 36.53 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 -1.39 3.05 -0.33 0.38 -0.21 -1.26 -5.09 119.66 114.82 2yux s GLN 13 Ca 0.13 -0.53 0.02 0.00 0.02 0.00 0.00 55.36 55.00 2yux s GLN 13 Cb -0.01 -2.84 0.10 0.00 1.00 0.00 0.00 33.01 31.25 2yux s GLN 13 CO 0.29 0.62 0.07 0.42 -2.12 0.00 0.00 175.29 174.58 2yux s ILE 14 N -1.27 1.75 0.60 1.08 1.01 -1.26 -5.10 121.20 118.00 2yux s ILE 14 Ca 0.25 -2.00 -0.18 0.00 0.00 0.00 0.00 60.65 58.72 2yux s ILE 14 Cb -0.12 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2yux s ILE 14 CO 0.17 -0.63 0.94 2.30 0.00 0.00 0.00 174.94 177.72 2yux n ILE 15 N 4.46 3.61 -1.23 2.92 -5.35 -1.26 -3.92 119.36 118.59 2yux n ILE 15 Ca 0.02 -0.50 0.15 0.00 -0.27 0.00 0.00 62.75 62.14 2yux n ILE 15 Cb 0.42 -1.12 -0.05 0.00 -1.74 0.00 0.00 39.64 37.15 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 -0.69 -6.80 -2.72 7.28 9.92 -1.26 -4.91 116.55 117.37 2yux n ASP 16 Ca 0.14 0.75 -0.04 0.00 -0.53 0.00 0.00 54.79 55.11 2yux n ASP 16 Cb 0.47 -3.94 -0.03 0.00 -0.64 0.00 0.00 41.12 36.98 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2yux n ARG 17 N -3.75 -3.78 0.23 -1.24 1.74 -1.26 -4.51 116.66 104.10 2yux n ARG 17 Ca -0.02 2.92 0.14 0.00 -0.77 0.00 0.00 57.85 60.12 2yux n ARG 17 Cb 0.64 -4.21 0.44 0.00 -1.02 0.00 0.00 32.46 28.31 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 4.18 0.00 0.00 5.56 0.13 -1.74 -3.40 132.00 136.74 2yux h PRO 18 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2yux h PRO 18 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2yux h PRO 18 CO 0.02 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 2yux n GLY 19 N 0.57 -0.64 3.78 1.56 0.00 -1.26 -4.57 105.19 104.62 2yux n GLY 19 Ca 0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.01 0.47 0.81 1.61 0.04 -1.26 -4.27 135.00 130.38 2yux s PRO 20 Ca 0.00 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 2yux s PRO 20 Cb 0.00 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.83 2yux s PRO 20 CO 0.00 -2.60 1.10 -1.25 0.04 0.00 0.00 177.00 174.29 2yux s PRO 21 N -5.46 1.98 0.07 0.56 0.04 -1.26 -4.84 135.00 126.08 2yux s PRO 21 Ca 0.68 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2yux s PRO 21 Cb -0.11 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2yux s PRO 21 CO 0.54 -1.69 1.62 1.96 0.04 0.00 0.00 177.00 179.47 2yux h GLN 22 N -1.14 0.04 -3.21 4.56 4.20 -1.68 -3.44 115.11 114.44 2yux h GLN 22 Ca -0.47 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 2yux h GLN 22 Cb 1.28 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 2yux h GLN 22 CO 0.59 0.16 0.08 -1.50 -0.67 0.00 0.00 178.83 177.49 2yux s ILE 23 N -5.68 0.02 -0.05 2.54 -1.16 -1.26 -4.99 121.20 110.61 2yux s ILE 23 Ca -0.14 -0.59 -0.02 0.00 -0.51 0.00 0.00 60.65 59.39 2yux s ILE 23 Cb 0.05 -1.43 0.04 0.00 0.61 0.00 0.00 42.46 41.72 2yux s ILE 23 CO 0.67 -0.10 0.09 -0.69 -2.81 0.00 0.00 174.94 172.10 2yux s VAL 24 N -3.84 -0.16 0.22 4.00 1.01 -1.26 -1.01 120.40 119.37 2yux s VAL 24 Ca 0.07 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.51 2yux s VAL 24 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2yux s VAL 24 CO -0.05 0.17 -0.11 -1.59 0.00 0.00 0.00 175.10 173.51 2yux s LYS 25 N 2.16 1.38 -0.51 2.72 -2.85 0.42 -3.98 119.74 119.07 2yux s LYS 25 Ca 0.04 -1.64 -0.15 0.00 -1.00 0.00 0.00 55.97 53.21 2yux s LYS 25 Cb -0.12 -1.08 0.11 0.00 -2.06 0.00 0.00 37.83 34.68 2yux s LYS 25 CO -0.04 0.12 0.45 0.42 0.10 0.00 0.00 175.35 176.41 2yux s ILE 26 N -3.03 5.15 0.24 3.79 1.09 -1.26 0.89 121.20 128.08 2yux s ILE 26 Ca 0.24 -1.37 -0.11 0.00 -1.10 0.00 0.00 60.65 58.32 2yux s ILE 26 Cb 0.01 -4.23 0.35 0.00 -1.06 0.00 0.00 42.46 37.54 2yux s ILE 26 CO 0.08 -0.76 1.44 1.21 -0.10 0.00 0.00 174.94 176.81 2yux n GLU 27 N 5.21 -0.13 -3.32 2.79 0.00 0.65 -4.84 120.64 121.00 2yux n GLU 27 Ca -0.13 1.43 0.00 0.00 0.00 0.00 0.00 57.16 58.46 2yux n GLU 27 Cb 0.41 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.72 2yux n GLU 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2yux n ASP 28 N -5.45 0.00 -3.68 4.31 -0.08 -1.16 -4.95 116.55 105.53 2yux n ASP 28 Ca 0.13 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.22 2yux n ASP 28 Cb 0.43 0.00 -0.18 0.00 2.34 0.00 0.00 41.12 43.71 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 -2.22 -0.11 0.01 5.18 0.11 -1.26 0.17 120.40 122.27 2yux s VAL 29 Ca 0.00 0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2yux s VAL 29 Cb 0.00 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2yux s VAL 29 CO 0.00 0.17 0.02 -1.66 -3.33 0.00 0.00 175.10 170.29 2yux s TRP 30 N 2.04 0.13 -1.71 1.54 -2.14 0.20 -4.48 118.94 114.52 2yux s TRP 30 Ca 0.03 -0.27 -0.20 0.00 2.66 0.00 0.00 56.10 58.32 2yux s TRP 30 Cb -0.12 -0.10 0.18 0.00 -3.10 0.00 0.00 33.47 30.32 2yux s TRP 30 CO -0.03 -0.15 0.71 0.41 -2.66 0.00 0.00 176.95 175.23 2yux n GLY 31 N 2.04 -0.44 2.92 3.67 0.00 -1.26 0.37 105.19 112.49 2yux n GLY 31 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.22 -0.65 -3.46 1.61 1.02 -1.26 -4.88 120.64 108.80 2yux n GLU 32 Ca 0.09 0.16 -0.39 0.00 -0.02 0.00 0.00 57.16 57.00 2yux n GLU 32 Cb 0.48 -3.87 -0.10 0.00 -0.02 0.00 0.00 31.44 27.94 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 -2.18 6.17 -0.14 1.62 0.01 1.18 -3.67 114.94 117.93 2yux s ASN 33 Ca 0.00 0.16 -0.13 0.00 -0.71 0.00 0.00 52.86 52.18 2yux s ASN 33 Cb 0.00 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 2yux s ASN 33 CO 0.00 -0.15 0.27 -0.69 -1.51 0.00 0.00 177.10 175.02 2yux s VAL 34 N 1.96 5.31 -0.31 1.60 1.01 -1.11 0.58 120.40 129.44 2yux s VAL 34 Ca 0.12 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 2yux s VAL 34 Cb -0.16 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2yux s VAL 34 CO 0.10 0.44 0.21 0.00 0.00 0.00 0.00 175.10 175.86 2yux s ALA 35 N 0.12 3.51 0.15 5.51 0.00 0.44 0.92 121.76 132.40 2yux s ALA 35 Ca 0.16 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2yux s ALA 35 Cb -0.13 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 2yux s ALA 35 CO 0.04 -0.76 0.49 -0.51 0.00 0.00 0.00 175.76 175.02 2yux s LEU 36 N 1.74 4.29 -0.24 0.00 1.43 -0.89 0.24 118.68 125.24 2yux s LEU 36 Ca 0.06 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2yux s LEU 36 Cb -0.17 -3.31 0.13 0.00 0.03 0.00 0.00 46.19 42.87 2yux s LEU 36 CO 0.11 0.07 0.34 0.42 0.23 0.00 0.00 176.35 177.51 2yux s THR 37 N -1.56 -0.53 0.17 5.49 -4.23 0.26 -3.60 115.64 111.64 2yux s THR 37 Ca 0.39 -0.12 0.11 0.00 -1.18 0.00 0.00 61.69 60.89 2yux s THR 37 Cb -0.13 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2yux s THR 37 CO 0.20 -0.17 -0.24 -1.66 -0.54 0.00 0.00 174.62 172.21 2yux s TRP 38 N 2.48 2.21 0.45 3.99 -2.14 -1.14 0.16 118.94 124.94 2yux s TRP 38 Ca 0.11 -0.38 -0.03 0.00 2.66 0.00 0.00 56.10 58.46 2yux s TRP 38 Cb -0.15 -1.13 -0.03 0.00 -3.10 0.00 0.00 33.47 29.06 2yux s TRP 38 CO -0.17 0.41 0.71 0.95 -2.66 0.00 0.00 176.95 176.19 2yux s THR 39 N -1.50 4.70 0.76 0.66 -4.23 -0.18 -4.84 115.64 111.01 2yux s THR 39 Ca 0.17 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 2yux s THR 39 Cb -0.08 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.04 2yux s THR 39 CO 0.08 -0.64 1.08 -2.16 -0.54 0.00 0.00 174.62 172.44 2yux s PRO 40 N -4.61 2.43 -0.23 3.99 0.04 -1.26 -3.79 135.00 131.57 2yux s PRO 40 Ca 0.46 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2yux s PRO 40 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2yux s PRO 40 CO 0.41 -1.41 1.31 -1.25 0.04 0.00 0.00 177.00 176.10 2yux s PRO 41 N -5.11 4.05 0.00 0.56 0.04 -1.26 -3.94 135.00 129.34 2yux s PRO 41 Ca 0.60 1.48 0.21 0.00 0.04 0.00 0.00 61.00 63.33 2yux s PRO 41 Cb -0.14 -3.84 0.99 0.00 0.04 0.00 0.00 34.50 31.54 2yux s PRO 41 CO 0.55 -0.95 1.69 1.63 0.04 0.00 0.00 177.00 179.95 2yux n LYS 42 N 7.03 0.14 -3.38 4.56 5.02 -1.26 -4.21 118.16 126.05 2yux n LYS 42 Ca 0.15 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.37 2yux n LYS 42 Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.81 1.51 0.32 4.39 -1.08 -1.26 -4.93 116.67 112.80 2yux s ASP 43 Ca 0.15 -1.40 0.03 0.00 -0.52 0.00 0.00 52.55 50.81 2yux s ASP 43 Cb 0.14 0.45 0.62 0.00 -1.46 0.00 0.00 42.92 42.67 2yux s ASP 43 CO 0.36 -0.30 1.90 -2.24 0.52 0.00 0.00 175.17 175.41 2yux h ASP 44 N 7.41 0.82 0.00 -0.34 2.03 -1.82 -3.45 116.42 121.07 2yux h ASP 44 Ca -0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2yux h ASP 44 Cb 1.05 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 2yux h ASP 44 CO 0.25 0.50 0.00 0.61 -1.03 0.00 0.00 179.24 179.56 2yux n GLY 45 N -1.41 2.12 3.57 7.15 0.00 -1.26 -4.23 105.19 111.14 2yux n GLY 45 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2yux n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yux s ASN 46 N -1.30 -0.19 -0.18 1.61 0.01 -1.25 -4.52 114.94 109.11 2yux s ASN 46 Ca 0.00 0.01 -0.04 0.00 -0.71 0.00 0.00 52.86 52.13 2yux s ASN 46 Cb 0.00 0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.87 2yux s ASN 46 CO 0.00 -0.32 0.07 0.00 -1.51 0.00 0.00 177.10 175.34 2yux n ALA 47 N -0.09 -3.41 -1.72 0.60 0.00 -1.26 -3.86 120.51 110.76 2yux n ALA 47 Ca -0.02 0.91 -0.64 0.00 0.00 0.00 0.00 53.44 53.69 2yux n ALA 47 Cb 0.59 -1.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 2yux n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yux n ALA 48 N 0.77 -1.21 -1.46 0.00 0.00 -1.26 -4.60 120.51 112.75 2yux n ALA 48 Ca -0.12 0.48 -0.61 0.00 0.00 0.00 0.00 53.44 53.18 2yux n ALA 48 Cb 0.19 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 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 3.95 0.04 -0.05 0.00 -0.00 -1.26 -4.80 119.36 117.23 2yux n ILE 49 Ca 0.29 -0.03 -0.13 0.00 -0.00 0.00 0.00 62.75 62.88 2yux n ILE 49 Cb 0.00 -0.67 -0.07 0.00 -0.00 0.00 0.00 39.64 38.91 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 6.23 1.32 -2.06 1.39 2.02 -1.50 -3.49 112.91 116.82 2yux h THR 50 Ca -0.25 -1.15 0.26 0.00 0.77 0.00 0.00 66.41 66.04 2yux h THR 50 Cb 1.39 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.51 2yux h THR 50 CO 1.04 0.34 0.71 0.61 0.37 0.00 0.00 175.52 178.59 2yux n GLY 51 N 0.04 0.36 3.07 2.16 0.00 -1.24 -4.84 105.19 104.74 2yux n GLY 51 Ca -0.06 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.30 1.78 -0.21 1.61 1.51 -1.17 0.90 117.35 119.48 2yux s TYR 52 Ca 0.24 -0.70 -0.09 0.00 -1.01 0.00 0.00 57.07 55.51 2yux s TYR 52 Cb -0.01 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 2yux s TYR 52 CO 0.00 -0.33 0.12 0.99 -1.11 0.00 0.00 175.55 175.22 2yux s THR 53 N 0.62 5.23 0.04 -0.71 2.01 -1.26 -2.83 115.64 118.74 2yux s THR 53 Ca -0.15 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2yux s THR 53 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2yux s THR 53 CO 0.04 0.42 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 2yux s ILE 54 N 0.53 3.44 0.05 1.82 1.09 -0.85 -2.52 121.20 124.76 2yux s ILE 54 Ca 0.07 -0.97 -0.16 0.00 -1.10 0.00 0.00 60.65 58.49 2yux s ILE 54 Cb -0.12 -2.52 0.03 0.00 -1.06 0.00 0.00 42.46 38.79 2yux s ILE 54 CO -0.00 0.31 0.36 -1.10 -0.10 0.00 0.00 174.94 174.41 2yux s GLN 55 N -1.64 0.88 0.24 2.79 -0.21 -1.22 -0.76 119.66 119.74 2yux s GLN 55 Ca 0.18 -0.44 0.09 0.00 0.02 0.00 0.00 55.36 55.20 2yux s GLN 55 Cb -0.11 0.39 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 2yux s GLN 55 CO 0.09 -0.29 0.02 0.15 -2.12 0.00 0.00 175.29 173.14 2yux s LYS 56 N -2.58 2.40 -0.28 2.91 1.02 -1.26 -3.12 119.74 118.84 2yux s LYS 56 Ca -0.05 -1.28 -0.06 0.00 0.02 0.00 0.00 55.97 54.60 2yux s LYS 56 Cb -0.01 -2.27 0.14 0.00 -0.52 0.00 0.00 37.83 35.18 2yux s LYS 56 CO -0.03 0.39 0.57 0.00 -0.92 0.00 0.00 175.35 175.36 2yux s ALA 57 N -2.13 -1.86 1.12 5.17 0.00 0.24 -3.55 121.76 120.76 2yux s ALA 57 Ca 0.30 1.92 -0.18 0.00 0.00 0.00 0.00 51.96 54.00 2yux s ALA 57 Cb -0.07 -1.80 0.26 0.00 0.00 0.00 0.00 23.12 21.51 2yux s ALA 57 CO 0.20 -1.04 1.19 -0.51 0.00 0.00 0.00 175.76 175.60 2yux s ASP 58 N 2.80 1.66 -0.09 0.00 1.01 -1.26 0.87 116.67 121.66 2yux s ASP 58 Ca 0.04 0.47 0.08 0.00 0.71 0.00 0.00 52.55 53.85 2yux s ASP 58 Cb -0.13 -0.61 0.39 0.00 1.01 0.00 0.00 42.92 43.58 2yux s ASP 58 CO -0.18 -3.65 1.16 0.29 0.21 0.00 0.00 175.17 173.00 2yux n LYS 59 N -4.42 2.70 0.12 8.23 4.76 -1.26 -2.84 118.16 125.47 2yux n LYS 59 Ca 0.14 -1.53 -0.08 0.00 -2.87 0.00 0.00 58.31 53.97 2yux n LYS 59 Cb 0.59 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.99 2yux n LYS 59 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2yux h LYS 60 N 2.05 -0.38 0.00 1.97 1.57 -1.92 -3.43 116.57 116.43 2yux h LYS 60 Ca 0.00 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2yux h LYS 60 Cb 1.07 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 2yux h LYS 60 CO 0.19 -0.15 -0.37 0.43 -0.57 0.00 0.00 179.45 178.98 2yux n SER 61 N -5.04 -0.10 -3.98 0.86 7.64 -1.26 -5.00 113.62 106.75 2yux n SER 61 Ca -0.06 -1.67 -0.30 0.00 1.01 0.00 0.00 58.87 57.84 2yux n SER 61 Cb 0.21 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.09 -4.62 -2.72 1.43 2.81 -1.13 -4.91 117.12 108.07 2yux n MET 62 Ca -0.07 0.52 -0.41 0.00 -1.81 0.00 0.00 57.70 55.93 2yux n MET 62 Cb 0.72 -5.26 -0.04 0.00 -0.71 0.00 0.00 33.22 27.93 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 -6.63 4.66 -0.14 0.03 2.02 -1.26 -4.94 118.70 112.43 2yux s GLU 63 Ca 0.55 1.44 -0.01 0.00 0.02 0.00 0.00 54.97 56.97 2yux s GLU 63 Cb -0.28 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2yux s GLU 63 CO 0.86 0.14 -0.11 -1.58 0.02 0.00 0.00 175.26 174.59 2yux s TRP 64 N 0.29 2.87 0.00 1.61 0.52 -1.26 -3.79 118.94 119.18 2yux s TRP 64 Ca 0.48 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.03 2yux s TRP 64 Cb -0.23 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2yux s TRP 64 CO 0.29 -0.18 0.00 1.19 0.02 0.00 0.00 176.95 178.27 2yux n PHE 65 N 3.57 0.00 0.00 -1.98 3.01 -1.23 -5.03 117.46 115.80 2yux n PHE 65 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2yux n PHE 65 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 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 -0.24 0.00 0.00 4.37 -1.04 -1.26 -4.95 114.28 111.15 2yux n THR 66 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2yux n THR 66 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.21 0.00 -3.67 12.58 0.31 0.06 -4.74 118.33 122.66 2yux n VAL 67 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2yux n VAL 67 Cb 0.00 -0.66 -0.08 0.00 -0.91 0.00 0.00 33.84 32.19 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 -1.78 0.03 -0.01 2.52 2.07 -1.06 -4.99 121.20 117.98 2yux s ILE 68 Ca 0.00 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.03 2yux s ILE 68 Cb 0.00 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.83 2yux s ILE 68 CO 0.00 -0.12 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.26 2yux s GLU 69 N -0.99 0.36 -0.56 3.50 0.41 -1.26 -2.00 118.70 118.15 2yux s GLU 69 Ca -0.10 -0.12 -0.00 0.00 -0.41 0.00 0.00 54.97 54.33 2yux s GLU 69 Cb -0.03 -0.37 -0.00 0.00 -1.78 0.00 0.00 34.13 31.94 2yux s GLU 69 CO 0.06 0.06 0.47 0.72 -0.49 0.00 0.00 175.26 176.07 2yux n HIS 70 N 3.16 -1.03 -2.42 1.61 8.25 -1.26 -5.02 115.22 118.51 2yux n HIS 70 Ca -0.15 0.44 -0.22 0.00 -0.26 0.00 0.00 57.72 57.53 2yux n HIS 70 Cb 0.57 -3.45 0.12 0.00 1.12 0.00 0.00 29.99 28.36 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 -2.47 -3.19 0.08 4.41 9.36 -1.13 -4.83 117.16 119.39 2yux n TYR 71 Ca -0.13 -1.49 0.00 0.00 3.32 0.00 0.00 57.90 59.60 2yux n TYR 71 Cb 0.58 -0.72 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 2yux n TYR 71 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2yux n HIS 72 N -2.92 -1.35 -0.75 2.98 1.44 -1.26 -3.02 115.22 110.33 2yux n HIS 72 Ca 0.15 0.24 -0.31 0.00 -2.01 0.00 0.00 57.72 55.79 2yux n HIS 72 Cb 0.53 0.54 0.12 0.00 0.12 0.00 0.00 29.99 31.30 2yux n HIS 72 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2yux n ARG 73 N -3.03 -1.16 0.00 -1.40 5.12 -1.26 -4.90 116.66 110.02 2yux n ARG 73 Ca 0.00 -0.33 0.06 0.00 -1.93 0.00 0.00 57.85 55.65 2yux n ARG 73 Cb 0.01 -1.41 0.04 0.00 -1.16 0.00 0.00 32.46 29.94 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 -4.08 0.00 -4.09 0.55 -2.24 -1.26 -4.93 114.28 98.22 2yux n THR 74 Ca 0.01 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2yux n THR 74 Cb 0.60 1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.13 0.91 -0.18 3.42 1.04 -1.26 -2.90 113.70 113.59 2yux s SER 75 Ca 0.14 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 2yux s SER 75 Cb 0.10 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.30 2yux s SER 75 CO 0.18 -0.16 0.43 0.00 0.98 0.00 0.00 173.24 174.68 2yux s ALA 76 N -1.21 -1.10 0.06 5.32 0.00 -1.24 -5.00 121.76 118.59 2yux s ALA 76 Ca -0.08 1.58 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 2yux s ALA 76 Cb -0.09 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2yux s ALA 76 CO 0.00 -0.27 0.64 0.99 0.00 0.00 0.00 175.76 177.13 2yux s THR 77 N 1.36 4.72 0.33 0.00 2.01 -1.26 -2.09 115.64 120.71 2yux s THR 77 Ca -0.09 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.35 2yux s THR 77 Cb -0.08 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2yux s THR 77 CO -0.13 0.48 0.47 -0.63 -0.69 0.00 0.00 174.62 174.12 2yux s ILE 78 N -0.69 4.13 0.34 1.82 -1.09 0.26 -4.91 121.20 121.06 2yux s ILE 78 Ca 0.32 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2yux s ILE 78 Cb -0.20 -3.43 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2yux s ILE 78 CO 0.20 -0.16 0.43 0.35 -1.23 0.00 0.00 174.94 174.53 2yux n THR 79 N -1.63 0.00 -3.36 2.92 -2.24 -1.26 -2.76 114.28 105.94 2yux n THR 79 Ca -0.00 -1.97 -0.11 0.00 -2.27 0.00 0.00 64.05 59.70 2yux n THR 79 Cb 0.58 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.59 -1.43 -4.59 -0.78 1.02 -1.26 -4.96 120.64 108.05 2yux n GLU 80 Ca 0.03 1.20 -0.24 0.00 -0.02 0.00 0.00 57.16 58.13 2yux n GLU 80 Cb 0.59 -4.30 -0.16 0.00 -0.02 0.00 0.00 31.44 27.55 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 -4.37 1.74 -0.03 -4.62 1.43 -1.24 -5.10 118.68 106.50 2yux s LEU 81 Ca 0.01 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 2yux s LEU 81 Cb -0.00 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2yux s LEU 81 CO 0.81 0.07 0.73 -0.69 0.23 0.00 0.00 176.35 177.50 2yux s VAL 82 N 0.39 4.95 -0.41 -1.59 1.01 -1.26 -4.70 120.40 118.79 2yux s VAL 82 Ca -0.09 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 2yux s VAL 82 Cb -0.13 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2yux s VAL 82 CO 0.02 0.28 1.26 -0.63 0.00 0.00 0.00 175.10 176.04 2yux s ILE 83 N 0.54 4.11 0.00 2.22 1.01 -1.26 -3.16 121.20 124.66 2yux s ILE 83 Ca 0.39 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2yux s ILE 83 Cb -0.19 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.93 2yux s ILE 83 CO 0.20 -0.77 0.00 0.61 0.00 0.00 0.00 174.94 174.98 2yux n GLY 84 N 4.74 2.68 3.89 6.18 0.00 -1.24 -4.99 105.19 116.45 2yux n GLY 84 Ca 0.14 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 5.96 0.38 1.61 0.01 -1.19 -4.93 114.94 116.74 2yux s ASN 85 Ca 0.00 -0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.21 2yux s ASN 85 Cb 0.00 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 2yux s ASN 85 CO 0.00 0.01 0.43 -1.83 -1.51 0.00 0.00 177.10 174.20 2yux s GLU 86 N -3.51 2.78 -0.06 -0.60 1.03 -1.26 -3.39 118.70 113.69 2yux s GLU 86 Ca 0.33 -1.29 -0.16 0.00 0.03 0.00 0.00 54.97 53.88 2yux s GLU 86 Cb -0.10 -2.60 0.03 0.00 -0.80 0.00 0.00 34.13 30.67 2yux s GLU 86 CO 0.27 -0.09 0.38 0.71 -1.33 0.00 0.00 175.26 175.19 2yux s TYR 87 N -2.34 -0.32 0.20 4.83 1.51 -1.21 -4.00 117.35 116.02 2yux s TYR 87 Ca 0.48 0.63 0.08 0.00 -1.01 0.00 0.00 57.07 57.24 2yux s TYR 87 Cb -0.07 0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.89 2yux s TYR 87 CO 0.30 -0.36 0.01 0.71 -1.11 0.00 0.00 175.55 175.10 2yux s TYR 88 N -0.81 2.83 0.06 2.71 2.02 0.25 -2.09 117.35 122.33 2yux s TYR 88 Ca -0.09 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2yux s TYR 88 Cb -0.04 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2yux s TYR 88 CO 0.04 0.54 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.44 2yux s PHE 89 N -1.89 0.66 -0.18 2.71 0.40 -1.26 -0.59 117.98 117.83 2yux s PHE 89 Ca 0.29 -0.83 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 2yux s PHE 89 Cb -0.09 -0.41 0.06 0.00 0.51 0.00 0.00 43.02 43.09 2yux s PHE 89 CO 0.19 -0.21 0.44 -0.98 0.70 0.00 0.00 175.22 175.37 2yux s ARG 90 N -3.09 0.46 0.16 0.44 1.70 -1.18 -2.89 118.95 114.54 2yux s ARG 90 Ca 0.02 0.77 0.06 0.00 -0.47 0.00 0.00 55.73 56.11 2yux s ARG 90 Cb 0.01 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2yux s ARG 90 CO -0.05 -0.13 0.08 0.08 -1.08 0.00 0.00 175.30 174.20 2yux s VAL 91 N 1.04 4.20 0.08 4.99 1.01 -1.25 -3.37 120.40 127.10 2yux s VAL 91 Ca -0.06 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.76 2yux s VAL 91 Cb -0.06 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2yux s VAL 91 CO -0.09 -0.08 0.03 0.49 0.00 0.00 0.00 175.10 175.45 2yux n PHE 92 N -0.15 0.02 -3.51 5.22 3.72 -1.05 -3.54 117.46 118.17 2yux n PHE 92 Ca -0.09 -0.53 -0.29 0.00 -0.05 0.00 0.00 57.45 56.49 2yux n PHE 92 Cb 0.54 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.96 2yux n PHE 92 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yux s SER 93 N -1.50 3.19 0.91 4.37 0.01 -1.26 -4.09 113.70 115.32 2yux s SER 93 Ca 0.04 -1.97 -0.11 0.00 1.31 0.00 0.00 55.95 55.22 2yux s SER 93 Cb 0.00 -0.44 0.14 0.00 0.21 0.00 0.00 66.02 65.93 2yux s SER 93 CO 0.03 -0.34 1.11 -1.61 0.41 0.00 0.00 173.24 172.83 2yux s GLU 94 N 1.30 1.10 0.00 12.44 0.41 0.26 -3.84 118.70 130.37 2yux s GLU 94 Ca 0.15 1.21 0.00 0.00 -0.41 0.00 0.00 54.97 55.93 2yux s GLU 94 Cb -0.21 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 2yux s GLU 94 CO -0.09 -2.46 0.00 0.27 -0.49 0.00 0.00 175.26 172.49 2yux n ASN 95 N -4.08 0.00 -1.65 -0.19 0.23 -1.26 -1.45 115.26 106.85 2yux n ASN 95 Ca 0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.01 2yux n ASN 95 Cb 0.53 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.31 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 1.64 0.12 -3.83 0.00 -1.26 -4.05 117.12 109.73 2yux n MET 96 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 57.70 56.22 2yux n MET 96 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 31.64 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 1.84 1.95 3.59 0.00 0.00 -1.26 -5.06 105.19 106.26 2yux n GLY 98 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.98 0.99 4.32 -1.25 -4.61 117.00 112.47 2yux n LEU 99 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 2yux n LEU 99 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 2yux n LEU 99 CO 0.00 0.00 -0.40 -0.94 -1.22 0.00 0.00 177.39 174.83 2yux s SER 100 N -2.05 0.68 0.54 -1.43 1.04 -1.26 -4.73 113.70 106.48 2yux s SER 100 Ca 0.00 -0.20 0.36 0.00 0.48 0.00 0.00 55.95 56.58 2yux s SER 100 Cb 0.00 -0.04 1.53 0.00 0.10 0.00 0.00 66.02 67.61 2yux s SER 100 CO 0.00 0.00 1.80 -0.33 0.98 0.00 0.00 173.24 175.69 2yux h GLU 101 N 5.65 0.02 -4.98 4.02 5.08 -2.00 -3.40 114.58 118.97 2yux h GLU 101 Ca -0.30 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.73 2yux h GLU 101 Cb 1.19 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.26 2yux h GLU 101 CO 0.48 0.01 -0.74 0.16 -1.00 0.00 0.00 179.01 177.93 2yux s ASP 102 N -5.18 1.45 0.14 1.42 -4.77 -1.26 -5.16 116.67 103.31 2yux s ASP 102 Ca -0.05 -0.79 0.08 0.00 -3.30 0.00 0.00 52.55 48.49 2yux s ASP 102 Cb 0.23 0.00 -0.04 0.00 -1.09 0.00 0.00 42.92 42.03 2yux s ASP 102 CO 0.81 -0.24 -0.18 0.00 0.70 0.00 0.00 175.17 176.26 2yux s ALA 103 N -2.30 1.80 -0.71 2.11 0.00 -1.26 -4.50 121.76 116.90 2yux s ALA 103 Ca 0.04 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 2yux s ALA 103 Cb -0.04 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 22.98 2yux s ALA 103 CO 0.00 0.23 1.08 0.99 0.00 0.00 0.00 175.76 178.06 2yux s THR 104 N -1.84 4.16 0.72 0.00 2.01 -1.23 -4.95 115.64 114.49 2yux s THR 104 Ca 0.11 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 2yux s THR 104 Cb -0.07 -4.77 0.02 0.00 0.01 0.00 0.00 72.50 67.69 2yux s THR 104 CO 0.05 -1.60 1.07 -0.32 -0.69 0.00 0.00 174.62 173.14 2yux s MET 105 N 4.51 2.76 -0.07 4.92 1.75 -1.26 -3.90 119.30 128.01 2yux s MET 105 Ca 0.27 0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 55.15 2yux s MET 105 Cb -0.13 -1.99 -0.03 0.00 2.84 0.00 0.00 34.83 35.52 2yux s MET 105 CO 0.10 -1.16 1.24 0.95 -0.65 0.00 0.00 175.02 175.49 2yux s THR 106 N -3.16 4.19 0.52 10.11 -4.23 -1.14 -4.57 115.64 117.36 2yux s THR 106 Ca 0.58 1.51 0.45 0.00 -1.18 0.00 0.00 61.69 63.05 2yux s THR 106 Cb -0.13 -3.97 0.66 0.00 1.34 0.00 0.00 72.50 70.40 2yux s THR 106 CO 0.54 -0.03 1.57 0.11 -0.54 0.00 0.00 174.62 176.27 2yux h LYS 107 N 7.68 0.00 -4.10 3.99 1.79 -1.95 -3.40 116.57 120.58 2yux h LYS 107 Ca -0.33 -0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.00 2yux h LYS 107 Cb 1.15 -0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.67 2yux h LYS 107 CO 0.90 0.00 -0.42 -1.21 -1.08 0.00 0.00 179.45 177.65 2yux s GLU 108 N -5.00 1.17 0.69 3.15 2.02 -1.26 -5.17 118.70 114.31 2yux s GLU 108 Ca -0.06 -1.33 -0.04 0.00 0.02 0.00 0.00 54.97 53.56 2yux s GLU 108 Cb 0.28 0.34 0.08 0.00 0.10 0.00 0.00 34.13 34.94 2yux s GLU 108 CO 0.87 -0.41 0.98 -1.54 0.02 0.00 0.00 175.26 175.18 2yux s SER 109 N -3.03 4.65 -0.30 -0.19 1.04 -1.26 -4.89 113.70 109.72 2yux s SER 109 Ca 0.24 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 2yux s SER 109 Cb 0.04 -0.70 0.01 0.00 0.10 0.00 0.00 66.02 65.47 2yux s SER 109 CO 0.04 -1.66 0.09 0.00 0.98 0.00 0.00 173.24 172.70 2yux s ALA 110 N -3.16 3.10 -0.48 5.32 0.00 -0.89 -4.94 121.76 120.71 2yux s ALA 110 Ca 0.62 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 2yux s ALA 110 Cb -0.09 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.86 2yux s ALA 110 CO 0.44 -0.93 1.18 0.08 0.00 0.00 0.00 175.76 176.53 2yux s VAL 111 N 1.52 4.14 0.35 0.00 1.01 -1.26 -3.32 120.40 122.84 2yux s VAL 111 Ca 0.03 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 2yux s VAL 111 Cb -0.17 -4.57 -0.12 0.00 0.00 0.00 0.00 36.38 31.52 2yux s VAL 111 CO 0.03 -1.02 1.45 -0.38 0.00 0.00 0.00 175.10 175.19 2yux n ILE 112 N 6.87 1.83 -3.61 2.22 2.08 -1.22 -4.92 119.36 122.61 2yux n ILE 112 Ca 0.12 -0.46 -0.04 0.00 0.56 0.00 0.00 62.75 62.93 2yux n ILE 112 Cb 0.49 -1.86 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 2yux n ILE 112 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yux s ALA 113 N -0.92 -2.07 -1.20 -1.39 0.00 -1.26 -3.66 121.76 111.25 2yux s ALA 113 Ca 0.56 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 2yux s ALA 113 Cb -0.51 -0.84 0.20 0.00 0.00 0.00 0.00 23.12 21.98 2yux s ALA 113 CO 0.61 -0.39 2.15 0.54 0.00 0.00 0.00 175.76 178.67 2yux n ARG 114 N 0.32 4.95 -3.76 0.00 1.74 -1.26 -4.12 116.66 114.53 2yux n ARG 114 Ca -0.01 -3.97 -0.37 0.00 -0.77 0.00 0.00 57.85 52.72 2yux n ARG 114 Cb 0.58 -2.57 -0.12 0.00 -1.02 0.00 0.00 32.46 29.34 2yux n ARG 114 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2yux s ASP 115 N -0.35 5.28 -0.18 0.55 1.01 -1.26 -4.92 116.67 116.79 2yux s ASP 115 Ca 0.48 -1.46 -0.29 0.00 0.71 0.00 0.00 52.55 51.99 2yux s ASP 115 Cb 0.19 -1.85 -0.00 0.00 1.01 0.00 0.00 42.92 42.26 2yux s ASP 115 CO -0.11 -0.41 1.13 -0.83 0.21 0.00 0.00 175.17 175.16 2yux s GLY 116 N 1.63 1.76 0.00 0.21 0.00 -1.26 -4.64 107.32 105.02 2yux s GLY 116 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2yux s GLY 116 CO 0.00 2.28 0.00 0.28 0.00 0.00 0.00 173.10 175.66 2yux n LYS 117 N 6.24 -0.27 -3.39 2.90 4.76 -1.26 -5.06 118.16 122.07 2yux n LYS 117 Ca 0.12 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 2yux n LYS 117 Cb 0.46 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.55 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 -0.53 -0.47 -0.33 -0.18 1.01 -1.26 -5.12 121.20 114.32 2yux s ILE 118 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 2yux s ILE 118 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2yux s ILE 118 CO 0.00 -0.31 0.19 -0.31 0.00 0.00 0.00 174.94 174.51 2yux s TYR 119 N 2.42 3.20 0.00 3.97 2.02 -1.26 -5.34 117.35 122.37 2yux s TYR 119 Ca 0.10 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 2yux s TYR 119 Cb -0.14 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 2yux s TYR 119 CO -0.24 -0.49 0.00 1.63 -1.57 0.00 0.00 175.55 174.88