#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auy s GLU 2 N 0.00 3.59 -0.12 0.03 -1.05 -1.26 -5.09 118.70 114.80 1auy s GLU 2 Ca 0.00 -0.16 -0.11 0.00 -0.15 0.00 0.00 54.97 54.55 1auy s GLU 2 Cb 0.00 -2.84 -0.05 0.00 -0.44 0.00 0.00 34.13 30.80 1auy s GLU 2 CO 0.00 0.45 0.25 0.42 0.95 0.00 0.00 175.26 177.32 1auy s ILE 3 N -1.72 5.32 -1.49 1.83 -1.09 -1.26 -5.00 121.20 117.80 1auy s ILE 3 Ca 0.40 0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 59.16 1auy s ILE 3 Cb -0.12 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1auy s ILE 3 CO 0.26 0.51 2.45 -0.67 -1.23 0.00 0.00 174.94 176.26 1auy n ASP 4 N 2.67 5.79 -3.61 3.58 2.03 -1.26 -4.80 116.55 120.95 1auy n ASP 4 Ca -0.15 -2.79 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 1auy n ASP 4 Cb 0.53 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 1auy n ASP 4 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1auy s LYS 5 N 2.38 0.69 0.16 -0.67 -2.85 -1.26 -4.45 119.74 113.74 1auy s LYS 5 Ca 0.54 0.60 0.10 0.00 -1.00 0.00 0.00 55.97 56.21 1auy s LYS 5 Cb 0.15 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 1auy s LYS 5 CO -0.07 -0.13 -0.22 -2.00 0.10 0.00 0.00 175.35 173.03 1auy s GLU 6 N -0.14 1.35 -0.03 1.78 2.12 -0.35 -4.96 118.70 118.48 1auy s GLU 6 Ca -0.01 -1.39 0.06 0.00 0.36 0.00 0.00 54.97 54.00 1auy s GLU 6 Cb -0.04 -1.61 -0.01 0.00 0.26 0.00 0.00 34.13 32.73 1auy s GLU 6 CO -0.01 0.36 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.34 1auy s LEU 7 N -2.41 2.03 -0.46 2.70 1.02 -1.26 -1.52 118.68 118.78 1auy s LEU 7 Ca 0.15 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.95 1auy s LEU 7 Cb -0.08 -1.15 0.22 0.00 0.02 0.00 0.00 46.19 45.19 1auy s LEU 7 CO 0.07 0.25 0.49 0.00 0.02 0.00 0.00 176.35 177.18 1auy n ALA 8 N 2.71 2.88 -1.77 4.21 0.00 -1.01 -4.94 120.51 122.59 1auy n ALA 8 Ca -0.16 -3.59 -0.40 0.00 0.00 0.00 0.00 53.44 49.29 1auy n ALA 8 Cb 0.52 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.16 1auy n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1auy s PRO 9 N -0.96 3.82 0.16 0.00 0.04 -1.26 -4.56 135.00 132.23 1auy s PRO 9 Ca 0.34 2.50 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 1auy s PRO 9 Cb 0.10 -2.76 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 1auy s PRO 9 CO -0.13 -0.74 0.94 -1.14 0.04 0.00 0.00 177.00 175.97 1auy s GLN 10 N -2.34 4.74 0.21 4.56 0.74 -1.26 -4.99 119.66 121.32 1auy s GLN 10 Ca 0.58 1.44 -0.32 0.00 0.05 0.00 0.00 55.36 57.11 1auy s GLN 10 Cb -0.45 -3.34 -0.12 0.00 1.10 0.00 0.00 33.01 30.20 1auy s GLN 10 CO 0.59 0.34 1.70 -0.25 -0.55 0.00 0.00 175.29 177.12 1auy n ASP 11 N 2.29 3.91 -4.81 6.67 8.00 -1.26 -4.97 116.55 126.37 1auy n ASP 11 Ca 0.00 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.27 1auy n ASP 11 Cb 0.48 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.97 1auy n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1auy s ARG 12 N 1.03 2.22 0.07 -1.24 1.70 -1.26 -4.37 118.95 117.11 1auy s ARG 12 Ca 0.75 -2.24 -0.26 0.00 -0.47 0.00 0.00 55.73 53.51 1auy s ARG 12 Cb -0.52 -1.75 0.09 0.00 -0.57 0.00 0.00 34.95 32.19 1auy s ARG 12 CO 0.34 -0.44 0.74 -0.08 -1.08 0.00 0.00 175.30 174.78 1auy s THR 13 N -2.83 0.00 -0.03 4.99 -1.32 -1.26 -5.08 115.64 110.11 1auy s THR 13 Ca 0.17 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 1auy s THR 13 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1auy s THR 13 CO 0.10 0.00 1.05 -0.69 -2.21 0.00 0.00 174.62 172.87 1auy s VAL 14 N -3.39 4.64 -0.32 5.08 1.01 -1.26 -4.83 120.40 121.32 1auy s VAL 14 Ca 0.03 1.91 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1auy s VAL 14 Cb -0.01 -4.22 0.18 0.00 0.00 0.00 0.00 36.38 32.33 1auy s VAL 14 CO -0.11 0.08 0.55 -0.89 0.00 0.00 0.00 175.10 174.73 1auy s THR 15 N 1.52 -0.88 0.75 3.92 2.01 -1.26 -5.13 115.64 116.56 1auy s THR 15 Ca 0.52 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.28 1auy s THR 15 Cb -0.22 -0.73 0.04 0.00 0.01 0.00 0.00 72.50 71.60 1auy s THR 15 CO 0.24 -0.10 1.09 0.68 -0.69 0.00 0.00 174.62 175.84 1auy s VAL 16 N 2.44 3.39 0.07 3.82 -7.23 -1.26 -4.48 120.40 117.14 1auy s VAL 16 Ca 0.12 0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.80 1auy s VAL 16 Cb -0.09 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.54 1auy s VAL 16 CO -0.21 -0.59 -0.15 0.00 -0.31 0.00 0.00 175.10 173.84 1auy s ALA 17 N -3.20 1.26 0.54 1.32 0.00 -1.26 -5.07 121.76 115.35 1auy s ALA 17 Ca 0.59 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1auy s ALA 17 Cb -0.13 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1auy s ALA 17 CO 0.54 0.21 0.76 0.95 0.00 0.00 0.00 175.76 178.22 1auy s THR 18 N -1.14 2.68 -0.28 0.00 -4.23 -1.26 -5.08 115.64 106.34 1auy s THR 18 Ca 0.00 -0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 59.59 1auy s THR 18 Cb -0.09 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.84 1auy s THR 18 CO 0.02 0.00 0.85 0.54 -0.54 0.00 0.00 174.62 175.49 1auy s VAL 19 N -2.74 0.00 -0.28 2.29 0.11 -1.26 -5.07 120.40 113.45 1auy s VAL 19 Ca 0.57 0.00 -0.38 0.00 -2.93 0.00 0.00 61.98 59.24 1auy s VAL 19 Cb -0.10 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.60 1auy s VAL 19 CO 0.38 0.00 1.89 -0.11 -3.33 0.00 0.00 175.10 173.93 1auy n LEU 20 N 2.66 2.40 -4.76 2.54 -0.00 -1.26 -4.89 117.00 113.69 1auy n LEU 20 Ca -0.14 0.88 -0.36 0.00 -0.00 0.00 0.00 56.01 56.39 1auy n LEU 20 Cb 0.56 -1.19 0.03 0.00 -0.00 0.00 0.00 43.42 42.82 1auy n LEU 20 CO 0.02 -0.46 0.84 -2.16 -0.00 0.00 0.00 177.39 175.63 1auy s PRO 21 N 4.40 3.08 0.29 1.96 0.04 -1.26 -4.97 135.00 138.55 1auy s PRO 21 Ca 1.01 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 63.57 1auy s PRO 21 Cb -0.99 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 31.46 1auy s PRO 21 CO 0.60 -1.11 1.45 0.00 0.04 0.00 0.00 177.00 177.98 1auy s ALA 22 N -1.60 3.62 0.36 8.56 0.00 -1.26 -4.97 121.76 126.47 1auy s ALA 22 Ca 0.76 1.41 -0.27 0.00 0.00 0.00 0.00 51.96 53.86 1auy s ALA 22 Cb -0.30 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 1auy s ALA 22 CO 0.33 -0.83 1.18 0.54 0.00 0.00 0.00 175.76 176.98 1auy s VAL 23 N -0.40 3.14 0.41 0.00 0.11 -1.26 -4.96 120.40 117.44 1auy s VAL 23 Ca 0.57 1.03 -0.26 0.00 -2.93 0.00 0.00 61.98 60.39 1auy s VAL 23 Cb -0.43 -3.61 -0.09 0.00 -1.53 0.00 0.00 36.38 30.72 1auy s VAL 23 CO 0.49 0.15 1.29 -2.16 -3.33 0.00 0.00 175.10 171.55 1auy s PRO 24 N -2.05 3.96 0.00 1.54 0.04 -1.26 -4.89 135.00 132.34 1auy s PRO 24 Ca 0.53 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1auy s PRO 24 Cb -0.32 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1auy s PRO 24 CO 0.41 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1auy n GLY 25 N 0.66 -0.36 3.77 0.56 0.00 -1.26 -5.11 105.19 103.45 1auy n GLY 25 Ca 0.04 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1auy n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1auy s PRO 26 N -1.77 4.49 0.23 1.61 0.04 -1.26 -4.97 135.00 133.37 1auy s PRO 26 Ca 0.00 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 1auy s PRO 26 Cb 0.00 -2.98 -0.12 0.00 0.04 0.00 0.00 34.50 31.44 1auy s PRO 26 CO 0.00 0.11 1.64 0.45 0.04 0.00 0.00 177.00 179.23 1auy n SER 27 N 0.79 3.72 -4.83 6.66 2.88 -1.26 -4.96 113.62 116.61 1auy n SER 27 Ca 0.01 1.10 -0.32 0.00 -1.33 0.00 0.00 58.87 58.32 1auy n SER 27 Cb 0.46 -1.55 -0.02 0.00 -0.75 0.00 0.00 64.21 62.36 1auy n SER 27 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1auy s PRO 28 N 0.46 3.73 0.34 -1.46 0.04 -1.26 -5.02 135.00 131.84 1auy s PRO 28 Ca 0.71 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1auy s PRO 28 Cb -0.54 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 1auy s PRO 28 CO 0.40 -0.46 1.23 -0.51 0.04 0.00 0.00 177.00 177.70 1auy s LEU 29 N -4.28 4.38 0.04 -3.56 2.01 -1.26 -5.02 118.68 110.99 1auy s LEU 29 Ca 0.60 2.53 0.02 0.00 0.01 0.00 0.00 54.13 57.28 1auy s LEU 29 Cb -0.12 -3.75 -0.02 0.00 0.01 0.00 0.00 46.19 42.30 1auy s LEU 29 CO 0.34 -0.52 -0.06 0.42 1.01 0.00 0.00 176.35 177.54 1auy s THR 30 N -1.22 0.42 0.35 5.49 -4.23 -1.26 -4.28 115.64 110.91 1auy s THR 30 Ca 0.51 -1.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1auy s THR 30 Cb -0.36 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 1auy s THR 30 CO 0.47 -0.44 -0.01 0.27 -0.54 0.00 0.00 174.62 174.37 1auy s ILE 31 N -1.51 1.74 -0.00 2.99 -5.25 -0.57 -4.96 121.20 113.63 1auy s ILE 31 Ca -0.11 -2.06 0.05 0.00 -0.99 0.00 0.00 60.65 57.54 1auy s ILE 31 Cb -0.09 -2.77 -0.01 0.00 2.95 0.00 0.00 42.46 42.54 1auy s ILE 31 CO -0.00 -0.10 -0.14 -0.54 -1.79 0.00 0.00 174.94 172.36 1auy s LYS 32 N -3.75 1.12 -0.06 0.37 1.02 -1.26 -0.60 119.74 116.59 1auy s LYS 32 Ca 0.34 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.76 1auy s LYS 32 Cb 0.07 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.31 1auy s LYS 32 CO 0.16 0.30 -0.01 -0.65 -0.92 0.00 0.00 175.35 174.22 1auy s GLN 33 N -0.49 0.69 0.63 1.68 -1.52 0.03 -4.96 119.66 115.71 1auy s GLN 33 Ca 0.05 0.03 -0.09 0.00 -1.95 0.00 0.00 55.36 53.40 1auy s GLN 33 Cb -0.06 -0.93 -0.00 0.00 -0.22 0.00 0.00 33.01 31.80 1auy s GLN 33 CO -0.00 -0.23 1.00 -1.25 -0.25 0.00 0.00 175.29 174.56 1auy s PRO 34 N 1.61 3.09 0.02 2.91 0.04 -1.26 -1.29 135.00 140.12 1auy s PRO 34 Ca -0.00 0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.13 1auy s PRO 34 Cb -0.13 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1auy s PRO 34 CO -0.04 -0.77 0.60 -0.59 0.04 0.00 0.00 177.00 176.25 1auy s PHE 35 N -3.16 -0.55 -0.08 0.56 -0.12 0.77 -4.93 117.98 110.48 1auy s PHE 35 Ca 0.55 0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 58.14 1auy s PHE 35 Cb -0.11 0.41 0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1auy s PHE 35 CO 0.50 -0.66 0.08 -1.14 -0.05 0.00 0.00 175.22 173.95 1auy s GLN 36 N -2.09 -0.03 0.06 1.99 0.74 -1.26 -0.81 119.66 118.25 1auy s GLN 36 Ca -0.07 0.29 0.09 0.00 0.05 0.00 0.00 55.36 55.72 1auy s GLN 36 Cb -0.01 -0.80 -0.03 0.00 1.10 0.00 0.00 33.01 33.28 1auy s GLN 36 CO 0.02 -0.41 -0.23 -1.54 -0.55 0.00 0.00 175.29 172.57 1auy s SER 37 N 2.18 3.45 -0.00 6.67 1.04 0.52 -4.92 113.70 122.64 1auy s SER 37 Ca 0.04 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.63 1auy s SER 37 Cb -0.13 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 1auy s SER 37 CO -0.05 0.25 1.10 -1.61 0.98 0.00 0.00 173.24 173.91 1auy s GLU 38 N -1.43 4.46 -0.03 4.02 2.02 -1.26 -0.55 118.70 125.92 1auy s GLU 38 Ca 0.13 1.59 0.10 0.00 0.02 0.00 0.00 54.97 56.81 1auy s GLU 38 Cb -0.10 -3.45 -0.15 0.00 0.10 0.00 0.00 34.13 30.52 1auy s GLU 38 CO 0.04 -0.23 0.18 0.28 0.02 0.00 0.00 175.26 175.55 1auy n VAL 39 N 4.13 0.16 -3.63 2.63 0.31 0.21 -4.92 118.33 117.23 1auy n VAL 39 Ca 0.08 -0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 1auy n VAL 39 Cb 0.48 0.02 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1auy n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1auy s LEU 40 N -3.97 -0.34 -0.76 7.52 0.20 -0.88 -4.98 118.68 115.46 1auy s LEU 40 Ca -0.04 0.59 0.01 0.00 0.69 0.00 0.00 54.13 55.38 1auy s LEU 40 Cb 0.06 1.70 0.19 0.00 -0.43 0.00 0.00 46.19 47.70 1auy s LEU 40 CO 0.43 -0.16 0.60 -0.36 -0.29 0.00 0.00 176.35 176.57 1auy s PHE 41 N -0.15 3.67 0.58 5.38 0.40 -1.26 -0.17 117.98 126.42 1auy s PHE 41 Ca 0.03 -3.11 -0.02 0.00 -0.60 0.00 0.00 56.93 53.23 1auy s PHE 41 Cb -0.04 -3.02 0.03 0.00 0.51 0.00 0.00 43.02 40.50 1auy s PHE 41 CO -0.06 -0.68 0.83 0.00 0.70 0.00 0.00 175.22 176.01 1auy s ALA 42 N -1.14 3.60 0.00 5.36 0.00 -0.64 -4.75 121.76 124.19 1auy s ALA 42 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1auy s ALA 42 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1auy s ALA 42 CO -0.12 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1auy n GLY 43 N -2.47 0.96 0.02 0.00 0.00 -1.26 -0.60 105.19 101.84 1auy n GLY 43 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1auy n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1auy n THR 44 N 0.00 0.13 -3.58 2.61 -2.24 -1.26 -4.34 114.28 105.60 1auy n THR 44 Ca 0.00 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1auy n THR 44 Cb 0.00 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1auy n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1auy s LYS 45 N -3.07 0.56 0.31 -0.78 -2.85 -1.26 -4.76 119.74 107.89 1auy s LYS 45 Ca 0.09 0.16 -0.28 0.00 -1.00 0.00 0.00 55.97 54.93 1auy s LYS 45 Cb 0.16 0.27 -0.13 0.00 -2.06 0.00 0.00 37.83 36.07 1auy s LYS 45 CO 0.71 -0.17 1.19 -0.25 0.10 0.00 0.00 175.35 176.93 1auy n ASP 46 N 0.78 2.20 -3.56 0.03 9.92 -1.26 -4.41 116.55 120.24 1auy n ASP 46 Ca -0.10 1.19 -0.13 0.00 -0.53 0.00 0.00 54.79 55.22 1auy n ASP 46 Cb 0.58 -1.40 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 1auy n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1auy s ALA 47 N -1.00 -1.87 0.15 2.24 0.00 -0.02 -4.93 121.76 116.33 1auy s ALA 47 Ca 0.58 1.52 0.06 0.00 0.00 0.00 0.00 51.96 54.12 1auy s ALA 47 Cb -0.63 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1auy s ALA 47 CO 0.60 -0.33 -0.14 -1.83 0.00 0.00 0.00 175.76 174.07 1auy s GLU 48 N -1.03 1.13 0.06 0.00 -1.05 -1.26 0.99 118.70 117.55 1auy s GLU 48 Ca -0.05 -1.38 0.01 0.00 -0.15 0.00 0.00 54.97 53.40 1auy s GLU 48 Cb -0.01 -0.97 -0.04 0.00 -0.44 0.00 0.00 34.13 32.68 1auy s GLU 48 CO 0.04 0.17 -0.05 0.00 0.95 0.00 0.00 175.26 176.37 1auy s ALA 49 N -2.50 0.66 -0.45 -0.84 0.00 0.14 -4.95 121.76 113.82 1auy s ALA 49 Ca 0.14 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.04 1auy s ALA 49 Cb -0.03 0.18 0.23 0.00 0.00 0.00 0.00 23.12 23.50 1auy s ALA 49 CO 0.04 -0.24 0.68 0.45 0.00 0.00 0.00 175.76 176.69 1auy n SER 50 N 0.42 -1.65 -4.76 0.00 2.88 -1.26 -1.12 113.62 108.13 1auy n SER 50 Ca -0.16 -2.95 -0.40 0.00 -1.33 0.00 0.00 58.87 54.04 1auy n SER 50 Cb 0.59 0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 64.72 1auy n SER 50 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1auy s LEU 51 N -0.59 4.56 -0.46 2.46 2.01 0.03 -4.88 118.68 121.81 1auy s LEU 51 Ca 0.33 2.11 -0.10 0.00 0.01 0.00 0.00 54.13 56.48 1auy s LEU 51 Cb 0.16 -3.67 0.11 0.00 0.01 0.00 0.00 46.19 42.80 1auy s LEU 51 CO -0.17 -0.03 0.34 -0.89 1.01 0.00 0.00 176.35 176.61 1auy s THR 52 N -1.21 4.36 0.41 5.49 2.01 -1.26 0.64 115.64 126.07 1auy s THR 52 Ca 0.44 -1.62 0.27 0.00 0.31 0.00 0.00 61.69 61.09 1auy s THR 52 Cb -0.28 -3.79 0.43 0.00 0.01 0.00 0.00 72.50 68.87 1auy s THR 52 CO 0.36 -0.70 1.59 0.40 -0.69 0.00 0.00 174.62 175.58 1auy h ILE 53 N 6.08 0.03 -0.75 1.82 1.08 -1.80 0.58 117.51 124.55 1auy h ILE 53 Ca -0.23 -0.01 0.22 0.00 -0.39 0.00 0.00 64.86 64.45 1auy h ILE 53 Cb 1.08 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1auy h ILE 53 CO 0.85 0.01 0.62 0.00 -0.69 0.00 0.00 178.15 178.93 1auy h ALA 54 N 1.77 2.62 -0.14 1.87 0.00 -1.89 -2.33 119.26 121.16 1auy h ALA 54 Ca 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1auy h ALA 54 Cb 2.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1auy h ALA 54 CO -0.59 -1.00 0.00 0.09 0.00 0.00 0.00 179.25 177.75 1auy n ASN 55 N -4.01 2.46 -4.76 0.00 3.02 0.20 -4.44 115.26 107.72 1auy n ASN 55 Ca 0.15 -1.71 -0.38 0.00 -0.03 0.00 0.00 54.58 52.62 1auy n ASN 55 Cb 0.89 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.98 1auy n ASN 55 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1auy s ILE 56 N -1.12 2.70 0.08 2.41 -4.36 -0.88 -4.68 121.20 115.35 1auy s ILE 56 Ca 0.20 0.54 -0.15 0.00 -0.26 0.00 0.00 60.65 60.98 1auy s ILE 56 Cb 0.13 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 1auy s ILE 56 CO 0.18 0.01 0.79 -0.90 0.24 0.00 0.00 174.94 175.26 1auy n ASP 57 N -0.58 -0.50 0.09 4.36 5.75 -1.26 -0.42 116.55 123.98 1auy n ASP 57 Ca 0.08 0.90 -0.13 0.00 -0.01 0.00 0.00 54.79 55.63 1auy n ASP 57 Cb 0.46 -0.14 -0.08 0.00 -1.03 0.00 0.00 41.12 40.34 1auy n ASP 57 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1auy h SER 58 N 0.00 -0.13 -0.74 -1.12 0.02 -1.93 0.19 113.55 109.84 1auy h SER 58 Ca 0.08 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1auy h SER 58 Cb 0.19 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1auy h SER 58 CO -0.45 -0.05 0.49 0.58 -1.14 0.00 0.00 176.83 176.26 1auy h VAL 59 N -0.20 0.91 0.37 2.27 2.07 -1.61 0.48 116.25 120.54 1auy h VAL 59 Ca -0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1auy h VAL 59 Cb 0.16 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1auy h VAL 59 CO 0.03 0.11 -0.18 -1.28 0.02 0.00 0.00 177.57 176.26 1auy h SER 60 N 0.60 -0.42 -0.23 0.57 0.87 -0.09 -2.54 113.55 112.31 1auy h SER 60 Ca 0.35 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.97 1auy h SER 60 Cb 0.54 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1auy h SER 60 CO -0.12 -0.01 0.16 0.71 -0.53 0.00 0.00 176.83 177.03 1auy h THR 61 N -1.08 0.93 -0.26 2.23 1.35 -0.31 -1.87 112.91 113.89 1auy h THR 61 Ca -0.05 -0.02 -0.14 0.00 -0.55 0.00 0.00 66.41 65.64 1auy h THR 61 Cb 0.38 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1auy h THR 61 CO 0.08 0.01 -0.40 -0.07 -0.25 0.00 0.00 175.52 174.90 1auy h LEU 62 N 0.07 0.81 -1.00 3.87 3.38 -0.10 -3.25 115.31 119.10 1auy h LEU 62 Ca 0.10 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1auy h LEU 62 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1auy h LEU 62 CO -0.01 1.17 0.00 0.35 0.09 0.00 0.00 178.44 180.04 1auy n THR 63 N -4.18 0.34 -0.00 0.22 -2.24 -0.74 -4.35 114.28 103.33 1auy n THR 63 Ca -0.05 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1auy n THR 63 Cb 0.54 0.19 0.25 0.00 -2.10 0.00 0.00 70.33 69.21 1auy n THR 63 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1auy h THR 64 N 1.63 1.22 -0.20 4.28 1.35 -1.51 -2.74 112.91 116.95 1auy h THR 64 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1auy h THR 64 Cb 0.37 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1auy h THR 64 CO 0.00 0.32 0.00 0.49 -0.25 0.00 0.00 175.52 176.08 1auy n PHE 65 N -4.22 0.25 -4.37 4.73 3.72 -1.26 -4.73 117.46 111.57 1auy n PHE 65 Ca 0.01 -0.12 -0.25 0.00 -0.05 0.00 0.00 57.45 57.03 1auy n PHE 65 Cb 0.31 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.75 1auy n PHE 65 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1auy s TYR 66 N -1.75 2.48 -0.47 1.38 2.02 -1.04 -0.14 117.35 119.83 1auy s TYR 66 Ca 0.33 -0.28 0.22 0.00 -0.37 0.00 0.00 57.07 56.96 1auy s TYR 66 Cb 0.18 -1.14 -0.28 0.00 -0.40 0.00 0.00 41.96 40.32 1auy s TYR 66 CO 0.27 0.60 0.68 -2.13 -1.57 0.00 0.00 175.55 173.40 1auy n ARG 67 N -0.34 0.36 -4.00 -0.62 0.63 0.21 -4.45 116.66 108.46 1auy n ARG 67 Ca -0.08 -0.11 -0.15 0.00 -0.92 0.00 0.00 57.85 56.59 1auy n ARG 67 Cb 0.58 -1.51 -0.15 0.00 0.45 0.00 0.00 32.46 31.82 1auy n ARG 67 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1auy s HIS 68 N -3.28 0.30 -0.16 -0.14 3.76 -1.01 -3.87 115.29 110.89 1auy s HIS 68 Ca -0.01 -0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.79 1auy s HIS 68 Cb 0.15 -0.28 0.06 0.00 1.11 0.00 0.00 32.58 33.62 1auy s HIS 68 CO 0.89 -0.06 0.38 0.00 -0.85 0.00 0.00 174.74 175.10 1auy s ALA 69 N 0.40 -0.95 0.01 -1.40 0.00 0.98 -1.81 121.76 118.98 1auy s ALA 69 Ca -0.04 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1auy s ALA 69 Cb -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1auy s ALA 69 CO -0.01 -0.26 -0.14 -1.12 0.00 0.00 0.00 175.76 174.23 1auy s SER 70 N 1.39 1.68 0.10 0.00 0.01 -0.73 -0.25 113.70 115.90 1auy s SER 70 Ca -0.09 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1auy s SER 70 Cb -0.09 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1auy s SER 70 CO -0.12 0.13 1.02 -0.76 0.41 0.00 0.00 173.24 173.91 1auy s LEU 71 N -0.63 4.46 -0.09 2.44 1.43 -0.12 -1.06 118.68 125.12 1auy s LEU 71 Ca 0.04 1.85 0.16 0.00 -1.03 0.00 0.00 54.13 55.16 1auy s LEU 71 Cb -0.06 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.33 1auy s LEU 71 CO 0.00 -0.18 0.24 -0.62 0.23 0.00 0.00 176.35 176.02 1auy n GLU 72 N 3.03 0.89 -3.59 1.70 1.02 0.11 -4.88 120.64 118.92 1auy n GLU 72 Ca 0.04 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 1auy n GLU 72 Cb 0.49 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 1auy n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1auy s SER 73 N -4.49 -0.45 -0.30 1.62 1.04 -1.23 -4.95 113.70 104.95 1auy s SER 73 Ca -0.07 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 1auy s SER 73 Cb 0.08 0.48 0.18 0.00 0.10 0.00 0.00 66.02 66.86 1auy s SER 73 CO 0.71 -0.66 1.12 -0.22 0.98 0.00 0.00 173.24 175.17 1auy s LEU 74 N -1.74 -0.32 0.13 2.42 1.98 -1.26 -1.83 118.68 118.06 1auy s LEU 74 Ca -0.07 0.47 -0.09 0.00 -2.89 0.00 0.00 54.13 51.55 1auy s LEU 74 Cb -0.01 1.41 -0.01 0.00 0.66 0.00 0.00 46.19 48.24 1auy s LEU 74 CO 0.01 -0.07 0.23 -1.66 -1.89 0.00 0.00 176.35 172.98 1auy s TRP 75 N 1.69 0.28 -0.02 5.38 -2.14 -0.33 -1.44 118.94 122.36 1auy s TRP 75 Ca -0.05 -0.67 0.02 0.00 2.66 0.00 0.00 56.10 58.06 1auy s TRP 75 Cb -0.03 -0.06 -0.03 0.00 -3.10 0.00 0.00 33.47 30.24 1auy s TRP 75 CO -0.14 -0.63 -0.06 0.54 -2.66 0.00 0.00 176.95 174.00 1auy s VAL 76 N -3.91 3.70 -0.07 -0.66 0.11 -0.65 -1.98 120.40 116.94 1auy s VAL 76 Ca 0.11 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1auy s VAL 76 Cb 0.04 -2.58 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 1auy s VAL 76 CO -0.06 0.46 0.01 0.28 -3.33 0.00 0.00 175.10 172.46 1auy s THR 77 N -0.94 0.33 -0.23 5.04 -1.32 -0.51 -0.34 115.64 117.67 1auy s THR 77 Ca 0.16 0.14 -0.23 0.00 -1.21 0.00 0.00 61.69 60.55 1auy s THR 77 Cb -0.11 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1auy s THR 77 CO 0.06 0.25 0.77 -0.63 -2.21 0.00 0.00 174.62 172.85 1auy s ILE 78 N 1.92 4.89 -0.36 5.08 1.01 0.15 -2.53 121.20 131.36 1auy s ILE 78 Ca 0.04 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 1auy s ILE 78 Cb -0.12 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 38.34 1auy s ILE 78 CO -0.05 -0.02 0.15 -1.00 0.00 0.00 0.00 174.94 174.02 1auy s HIS 79 N 2.61 3.31 0.63 3.97 3.76 -0.28 -1.18 115.29 128.12 1auy s HIS 79 Ca 0.33 -1.57 -0.16 0.00 -0.15 0.00 0.00 55.06 53.51 1auy s HIS 79 Cb -0.15 -2.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.99 1auy s HIS 79 CO 0.08 -0.79 1.13 -2.14 -0.85 0.00 0.00 174.74 172.17 1auy s PRO 80 N 1.38 2.89 0.15 8.40 0.02 -1.26 -1.39 135.00 145.19 1auy s PRO 80 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1auy s PRO 80 Cb -0.21 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.36 1auy s PRO 80 CO 0.02 -1.19 0.00 0.25 -0.33 0.00 0.00 177.00 175.75 1auy n THR 81 N -2.14 0.00 0.29 0.99 -2.24 0.51 -4.85 114.28 106.85 1auy n THR 81 Ca 0.11 -0.73 0.18 0.00 -2.27 0.00 0.00 64.05 61.34 1auy n THR 81 Cb 0.51 0.15 0.87 0.00 -2.10 0.00 0.00 70.33 69.76 1auy n THR 81 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1auy h LEU 82 N 0.00 0.00 -0.01 3.22 -0.00 -1.87 -0.79 115.31 115.87 1auy h LEU 82 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1auy h LEU 82 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1auy h LEU 82 CO 0.21 0.04 -0.19 1.67 -0.00 0.00 0.00 178.44 180.17 1auy n GLN 83 N -3.27 0.02 -0.11 0.17 -0.06 -1.26 -4.21 117.38 108.66 1auy n GLN 83 Ca -0.01 -0.01 -0.13 0.00 -2.00 0.00 0.00 57.00 54.85 1auy n GLN 83 Cb 0.21 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.86 1auy n GLN 83 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1auy h ALA 84 N 3.02 0.48 -0.06 1.69 0.00 -1.28 -1.96 119.26 121.15 1auy h ALA 84 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1auy h ALA 84 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1auy h ALA 84 CO 0.00 0.49 0.04 -1.35 0.00 0.00 0.00 179.25 178.43 1auy h PRO 85 N 0.54 0.00 0.00 0.00 0.11 -1.73 -2.23 132.00 128.69 1auy h PRO 85 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1auy h PRO 85 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1auy h PRO 85 CO 0.07 0.00 -1.17 2.41 -0.21 0.00 0.00 178.00 179.10 1auy n THR 86 N -4.36 0.31 -3.50 -1.15 -1.04 -1.17 -1.53 114.28 101.84 1auy n THR 86 Ca -0.02 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 1auy n THR 86 Cb 0.15 -0.05 -0.11 0.00 -1.82 0.00 0.00 70.33 68.50 1auy n THR 86 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1auy s PHE 87 N -3.32 1.60 0.31 -1.42 0.40 -0.75 -4.97 117.98 109.84 1auy s PHE 87 Ca 0.00 -2.52 -0.27 0.00 -0.60 0.00 0.00 56.93 53.53 1auy s PHE 87 Cb 0.12 -1.30 -0.14 0.00 0.51 0.00 0.00 43.02 42.22 1auy s PHE 87 CO 0.81 -0.77 0.98 -2.30 0.70 0.00 0.00 175.22 174.64 1auy n PRO 88 N 2.69 1.28 -4.22 0.24 -0.02 -1.25 -4.73 135.00 129.00 1auy n PRO 88 Ca 0.27 0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 1auy n PRO 88 Cb 0.45 -1.83 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 1auy n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1auy s THR 89 N -1.10 0.57 -0.04 3.45 2.01 0.18 -4.34 115.64 116.38 1auy s THR 89 Ca 0.59 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 1auy s THR 89 Cb -0.69 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1auy s THR 89 CO 0.60 0.21 0.90 -0.89 -0.69 0.00 0.00 174.62 174.75 1auy s THR 90 N 0.57 4.91 -0.16 -0.82 2.01 -0.98 -1.01 115.64 120.16 1auy s THR 90 Ca -0.08 1.87 -0.00 0.00 0.31 0.00 0.00 61.69 63.79 1auy s THR 90 Cb -0.11 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.20 1auy s THR 90 CO 0.00 0.17 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.34 1auy s VAL 91 N 1.09 1.18 -0.04 3.82 1.01 0.94 -2.02 120.40 126.38 1auy s VAL 91 Ca 0.47 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1auy s VAL 91 Cb -0.20 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1auy s VAL 91 CO 0.24 0.19 0.19 -0.83 0.00 0.00 0.00 175.10 174.89 1auy s GLY 92 N 1.61 2.19 -0.02 4.51 0.00 0.10 0.02 107.32 115.75 1auy s GLY 92 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1auy s GLY 92 CO -0.08 -0.49 0.04 0.14 0.00 0.00 0.00 173.10 172.71 1auy s VAL 93 N -1.22 -0.01 -0.26 1.40 1.01 0.21 -1.90 120.40 119.62 1auy s VAL 93 Ca 0.23 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1auy s VAL 93 Cb -0.13 -0.06 0.08 0.00 0.00 0.00 0.00 36.38 36.27 1auy s VAL 93 CO 0.13 0.02 0.63 0.00 0.00 0.00 0.00 175.10 175.88 1auy s TRP 95 N 1.82 3.46 0.08 0.00 0.52 -1.26 -1.51 118.94 122.04 1auy s TRP 95 Ca -0.09 0.62 -0.07 0.00 0.02 0.00 0.00 56.10 56.58 1auy s TRP 95 Cb -0.07 -2.37 -0.01 0.00 -1.15 0.00 0.00 33.47 29.88 1auy s TRP 95 CO -0.18 0.22 0.15 0.14 0.02 0.00 0.00 176.95 177.29 1auy s VAL 96 N 0.53 0.16 0.69 4.03 -7.23 -0.54 -4.87 120.40 113.16 1auy s VAL 96 Ca 0.17 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 1auy s VAL 96 Cb -0.13 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.46 1auy s VAL 96 CO 0.04 -0.71 1.14 -2.84 -0.31 0.00 0.00 175.10 172.42 1auy s PRO 97 N -3.85 2.54 0.53 4.82 0.02 -1.26 -0.11 135.00 137.68 1auy s PRO 97 Ca 0.05 1.53 0.21 0.00 0.02 0.00 0.00 61.00 62.81 1auy s PRO 97 Cb 0.05 -1.91 1.34 0.00 0.02 0.00 0.00 34.50 34.01 1auy s PRO 97 CO -0.11 -1.48 2.07 0.00 -0.33 0.00 0.00 177.00 177.15 1auy h ALA 98 N -0.11 2.25 0.00 -1.55 0.00 0.28 -1.15 119.26 118.98 1auy h ALA 98 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1auy h ALA 98 Cb 1.26 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1auy h ALA 98 CO 0.52 -0.34 -0.13 -0.56 0.00 0.00 0.00 179.25 178.75 1auy h GLN 99 N 0.00 0.00 -6.52 0.00 3.07 -1.41 -3.43 115.11 106.82 1auy h GLN 99 Ca 0.13 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.34 1auy h GLN 99 Cb 0.52 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.11 1auy h GLN 99 CO -0.00 0.13 0.85 0.45 0.09 0.00 0.00 178.83 180.34 1auy s SER 100 N -6.01 6.70 -0.01 0.06 0.15 -0.43 -4.87 113.70 109.29 1auy s SER 100 Ca 0.01 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1auy s SER 100 Cb 0.09 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1auy s SER 100 CO 0.61 -0.77 0.55 -0.81 1.20 0.00 0.00 173.24 174.02 1auy n PRO 101 N 4.47 1.11 -2.71 5.44 -0.04 -1.26 -4.89 135.00 137.11 1auy n PRO 101 Ca 0.13 -0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.15 1auy n PRO 101 Cb 0.41 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1auy n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1auy s VAL 102 N -1.08 4.11 0.16 0.52 1.01 -1.26 -5.07 120.40 118.80 1auy s VAL 102 Ca 0.02 1.54 0.09 0.00 0.00 0.00 0.00 61.98 63.62 1auy s VAL 102 Cb 0.01 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1auy s VAL 102 CO 0.00 -0.06 -0.10 0.28 0.00 0.00 0.00 175.10 175.22 1auy s THR 103 N -1.83 3.19 0.56 3.92 -1.32 -1.26 -5.00 115.64 113.90 1auy s THR 103 Ca 0.57 -1.59 0.31 0.00 -1.21 0.00 0.00 61.69 59.78 1auy s THR 103 Cb -0.16 -2.56 0.46 0.00 -1.51 0.00 0.00 72.50 68.72 1auy s THR 103 CO 0.21 -0.06 1.83 1.55 -2.21 0.00 0.00 174.62 175.94 1auy h PRO 104 N 3.07 0.00 0.00 7.08 0.13 -1.87 1.61 132.00 142.02 1auy h PRO 104 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1auy h PRO 104 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1auy h PRO 104 CO 0.53 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 1auy h ALA 105 N 1.41 1.00 -0.53 -0.56 0.00 -1.95 -2.62 119.26 116.01 1auy h ALA 105 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1auy h ALA 105 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1auy h ALA 105 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1auy n GLN 106 N -2.49 3.03 -0.14 0.00 6.02 0.55 -4.65 117.38 119.69 1auy n GLN 106 Ca -0.00 -2.50 -0.04 0.00 -0.01 0.00 0.00 57.00 54.45 1auy n GLN 106 Cb 0.15 -1.55 0.03 0.00 1.02 0.00 0.00 30.24 29.89 1auy n GLN 106 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1auy h ILE 107 N 3.19 0.56 0.00 5.09 2.04 -1.49 0.86 117.51 127.76 1auy h ILE 107 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1auy h ILE 107 Cb 1.04 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1auy h ILE 107 CO 0.07 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.57 1auy n THR 108 N -5.32 0.00 0.17 -0.27 -2.24 -1.26 -1.46 114.28 103.90 1auy n THR 108 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1auy n THR 108 Cb 0.25 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1auy n THR 108 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1auy n LYS 109 N -0.61 1.66 -4.17 -0.78 5.02 0.23 -4.99 118.16 114.51 1auy n LYS 109 Ca 0.03 -0.50 -0.34 0.00 -2.02 0.00 0.00 58.31 55.48 1auy n LYS 109 Cb 0.02 -0.94 -0.12 0.00 -0.02 0.00 0.00 35.03 33.97 1auy n LYS 109 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1auy s THR 110 N -0.68 4.19 0.05 -0.18 2.01 -0.54 -5.04 115.64 115.45 1auy s THR 110 Ca 0.04 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1auy s THR 110 Cb 0.03 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1auy s THR 110 CO 0.09 0.46 0.79 0.00 -0.69 0.00 0.00 174.62 175.26 1auy n TYR 111 N 3.80 -0.13 0.11 4.92 9.36 -1.26 -1.17 117.16 132.79 1auy n TYR 111 Ca -0.17 0.37 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 1auy n TYR 111 Cb 0.52 -0.43 -0.06 0.00 -0.63 0.00 0.00 39.34 38.74 1auy n TYR 111 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1auy h GLY 112 N 0.00 -0.28 -0.59 2.98 0.00 -1.90 -3.44 103.07 99.84 1auy h GLY 112 Ca 0.05 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 1auy h GLY 112 CO -0.28 -0.14 -0.00 0.61 0.00 0.00 0.00 176.54 176.73 1auy n GLY 113 N -1.26 -0.05 3.14 4.60 0.00 -0.32 -4.27 105.19 107.03 1auy n GLY 113 Ca -0.08 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1auy n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1auy s GLN 114 N -0.01 0.61 -0.01 1.61 -2.07 -0.30 -4.77 119.66 114.71 1auy s GLN 114 Ca 0.09 -0.64 0.04 0.00 -1.82 0.00 0.00 55.36 53.03 1auy s GLN 114 Cb -0.12 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1auy s GLN 114 CO 0.06 -0.16 -0.13 0.96 -1.32 0.00 0.00 175.29 174.70 1auy s ILE 115 N -2.36 1.01 0.17 3.63 -4.36 -1.26 0.63 121.20 118.66 1auy s ILE 115 Ca -0.07 -0.55 0.10 0.00 -0.26 0.00 0.00 60.65 59.87 1auy s ILE 115 Cb -0.02 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 1auy s ILE 115 CO -0.03 0.28 -0.22 -0.36 0.24 0.00 0.00 174.94 174.85 1auy s PHE 116 N -0.31 2.13 -1.07 1.37 0.08 0.10 -4.94 117.98 115.35 1auy s PHE 116 Ca 0.05 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 1auy s PHE 116 Cb -0.05 -1.07 0.27 0.00 -0.57 0.00 0.00 43.02 41.60 1auy s PHE 116 CO -0.00 0.42 1.09 0.00 -0.10 0.00 0.00 175.22 176.63 1auy s ILE 118 N -1.51 2.71 0.00 0.00 1.09 -0.18 -4.77 121.20 118.53 1auy s ILE 118 Ca 0.31 0.63 0.00 0.00 -1.10 0.00 0.00 60.65 60.48 1auy s ILE 118 Cb -0.07 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1auy s ILE 118 CO -0.07 0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.50 1auy n GLY 119 N 1.74 -0.97 0.00 6.18 0.00 -1.26 0.52 105.19 111.39 1auy n GLY 119 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1auy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auy n GLY 120 N -1.16 2.98 0.24 -0.02 0.00 -0.87 -4.60 105.19 101.77 1auy n GLY 120 Ca 0.00 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 45.01 1auy n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auy h ALA 121 N 0.00 1.00 0.00 4.61 0.00 -1.56 0.12 119.26 123.42 1auy h ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1auy h ALA 121 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1auy h ALA 121 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 179.25 180.22 1auy h ILE 122 N 0.00 0.00 -3.56 0.00 6.09 -1.91 -3.46 117.51 114.67 1auy h ILE 122 Ca 0.00 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1auy h ILE 122 Cb 0.27 1.57 0.00 0.00 0.47 0.00 0.00 36.82 39.14 1auy h ILE 122 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1auy n GLN 123 N -2.53 1.92 0.01 2.19 -0.00 0.41 -5.10 117.38 114.28 1auy n GLN 123 Ca 0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.84 1auy n GLN 123 Cb 0.43 0.00 -0.14 0.00 -0.00 0.00 0.00 30.24 30.53 1auy n GLN 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1auy h THR 124 N 0.02 1.26 -0.17 -0.39 2.02 -1.90 -3.47 112.91 110.27 1auy h THR 124 Ca 0.00 -2.43 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 1auy h THR 124 Cb 0.00 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 1auy h THR 124 CO 0.00 0.68 -0.07 0.18 0.37 0.00 0.00 175.52 176.68 1auy n LEU 125 N -4.08 0.22 -4.86 2.58 4.77 -1.26 -5.01 117.00 109.35 1auy n LEU 125 Ca -0.20 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1auy n LEU 125 Cb 0.83 -1.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1auy n LEU 125 CO 0.42 -0.67 0.38 -0.44 -1.33 0.00 0.00 177.39 175.75 1auy s SER 126 N -2.23 6.65 0.15 -1.43 0.01 -1.26 -4.63 113.70 110.97 1auy s SER 126 Ca 0.00 1.15 -0.32 0.00 1.31 0.00 0.00 55.95 58.08 1auy s SER 126 Cb 0.00 -2.32 -0.12 0.00 0.21 0.00 0.00 66.02 63.79 1auy s SER 126 CO 0.00 -0.25 1.73 -2.65 0.41 0.00 0.00 173.24 172.48 1auy n PRO 127 N -0.68 2.59 -3.53 12.44 -0.02 -1.26 -4.73 135.00 139.82 1auy n PRO 127 Ca 0.02 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.07 1auy n PRO 127 Cb 0.53 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1auy n PRO 127 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1auy s LEU 128 N 1.76 4.38 -0.12 2.45 1.43 -0.32 -1.21 118.68 127.05 1auy s LEU 128 Ca 0.79 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1auy s LEU 128 Cb -0.55 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.20 1auy s LEU 128 CO 0.36 0.23 -0.14 -0.63 0.23 0.00 0.00 176.35 176.41 1auy s ILE 129 N -0.42 1.45 -0.55 -0.59 1.01 -0.58 0.30 121.20 121.82 1auy s ILE 129 Ca 0.21 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1auy s ILE 129 Cb -0.15 -1.35 0.14 0.00 0.01 0.00 0.00 42.46 41.11 1auy s ILE 129 CO 0.09 0.43 0.31 -0.69 0.00 0.00 0.00 174.94 175.09 1auy s VAL 130 N 1.24 3.00 0.29 2.92 1.01 0.54 -2.41 120.40 126.99 1auy s VAL 130 Ca -0.01 -3.12 -0.30 0.00 0.00 0.00 0.00 61.98 58.55 1auy s VAL 130 Cb -0.14 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 1auy s VAL 130 CO -0.05 -0.82 1.47 -0.54 0.00 0.00 0.00 175.10 175.16 1auy s LYS 131 N -0.12 4.22 -0.10 2.72 1.02 -1.26 -1.64 119.74 124.57 1auy s LYS 131 Ca 0.16 2.40 -0.30 0.00 0.02 0.00 0.00 55.97 58.26 1auy s LYS 131 Cb -0.23 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1auy s LYS 131 CO -0.02 -0.46 1.09 0.00 -0.92 0.00 0.00 175.35 175.04 1auy s PRO 133 N 2.26 2.90 0.60 0.00 0.04 -1.26 -4.69 135.00 134.85 1auy s PRO 133 Ca 0.51 -1.29 0.29 0.00 0.04 0.00 0.00 61.00 60.55 1auy s PRO 133 Cb -0.20 -5.30 1.57 0.00 0.04 0.00 0.00 34.50 30.60 1auy s PRO 133 CO 0.18 -3.45 1.97 -0.07 0.04 0.00 0.00 177.00 175.67 1auy h LEU 134 N 16.32 0.00 -1.80 -3.56 3.38 -1.92 0.42 115.31 128.16 1auy h LEU 134 Ca 0.26 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1auy h LEU 134 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1auy h LEU 134 CO 1.29 0.00 0.20 -0.33 0.09 0.00 0.00 178.44 179.68 1auy h GLU 135 N 0.00 0.25 0.00 1.13 3.07 -1.96 -1.25 114.58 115.82 1auy h GLU 135 Ca 0.13 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1auy h GLU 135 Cb 0.86 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1auy h GLU 135 CO -0.00 0.17 -0.62 0.52 -1.40 0.00 0.00 179.01 177.68 1auy h MET 136 N 0.26 0.00 0.00 2.33 2.86 -0.38 -3.43 114.93 116.56 1auy h MET 136 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1auy h MET 136 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1auy h MET 136 CO -0.02 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.62 1auy n MET 137 N -2.67 1.04 -3.95 1.72 2.81 -0.47 -4.84 117.12 110.77 1auy n MET 137 Ca 0.02 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.60 1auy n MET 137 Cb 0.52 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.88 1auy n MET 137 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1auy s GLN 138 N -1.26 1.41 0.58 0.03 -0.44 -0.59 -4.62 119.66 114.77 1auy s GLN 138 Ca 0.00 -1.51 0.27 0.00 -2.50 0.00 0.00 55.36 51.62 1auy s GLN 138 Cb 0.00 -2.81 1.70 0.00 -1.64 0.00 0.00 33.01 30.25 1auy s GLN 138 CO 0.00 -0.86 2.19 -1.00 0.50 0.00 0.00 175.29 176.12 1auy h PRO 139 N 7.78 0.00 -5.77 1.67 0.13 -1.86 -3.29 132.00 130.67 1auy h PRO 139 Ca -0.10 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.56 1auy h PRO 139 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1auy h PRO 139 CO 0.49 0.00 1.52 1.03 -0.23 0.00 0.00 178.00 180.81 1auy s ARG 140 N -4.70 2.31 0.05 0.86 1.81 -1.26 -0.94 118.95 117.08 1auy s ARG 140 Ca -0.05 1.08 0.25 0.00 -1.72 0.00 0.00 55.73 55.30 1auy s ARG 140 Cb 0.15 -4.51 0.59 0.00 -0.45 0.00 0.00 34.95 30.74 1auy s ARG 140 CO 0.57 -3.06 1.49 1.55 -0.68 0.00 0.00 175.30 175.17 1auy n VAL 141 N 7.68 0.16 -3.65 3.52 3.14 0.66 -4.80 118.33 125.04 1auy n VAL 141 Ca 0.30 -0.11 -0.03 0.00 -2.96 0.00 0.00 64.34 61.54 1auy n VAL 141 Cb 0.54 -0.06 -0.05 0.00 -1.06 0.00 0.00 33.84 33.21 1auy n VAL 141 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1auy s LYS 142 N -3.06 0.62 0.00 1.45 2.20 -0.17 -4.85 119.74 115.92 1auy s LYS 142 Ca 0.10 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1auy s LYS 142 Cb 0.16 0.64 0.00 0.00 -1.51 0.00 0.00 37.83 37.12 1auy s LYS 142 CO 0.67 -0.18 0.00 -3.47 -0.36 0.00 0.00 175.35 172.01 1auy n ASP 143 N 5.08 0.00 0.01 1.43 2.03 -1.25 -0.02 116.55 123.84 1auy n ASP 143 Ca -0.15 -0.83 0.13 0.00 0.52 0.00 0.00 54.79 54.47 1auy n ASP 143 Cb 0.52 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.43 1auy n ASP 143 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1auy n SER 144 N -1.86 0.21 -4.37 1.67 7.64 -1.26 -4.80 113.62 110.85 1auy n SER 144 Ca 0.00 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 60.03 1auy n SER 144 Cb 0.00 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 1auy n SER 144 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1auy s ILE 145 N -3.02 1.39 -0.42 0.44 -4.36 -1.26 -5.12 121.20 108.86 1auy s ILE 145 Ca 0.13 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 1auy s ILE 145 Cb 0.18 -2.33 0.06 0.00 1.25 0.00 0.00 42.46 41.62 1auy s ILE 145 CO 0.58 -0.37 0.28 -1.58 0.24 0.00 0.00 174.94 174.09 1auy s GLN 146 N -3.77 2.78 0.45 0.37 2.00 -1.26 -4.96 119.66 115.27 1auy s GLN 146 Ca 0.27 -1.30 -0.21 0.00 -2.00 0.00 0.00 55.36 52.12 1auy s GLN 146 Cb 0.04 -3.87 -0.09 0.00 0.80 0.00 0.00 33.01 29.89 1auy s GLN 146 CO 0.09 -0.89 1.01 0.71 -0.50 0.00 0.00 175.29 175.72 1auy s TYR 147 N 1.53 3.14 -1.08 1.67 2.02 -1.26 -4.95 117.35 118.42 1auy s TYR 147 Ca 0.03 1.60 0.27 0.00 -0.37 0.00 0.00 57.07 58.60 1auy s TYR 147 Cb -0.22 -3.02 0.81 0.00 -0.40 0.00 0.00 41.96 39.13 1auy s TYR 147 CO 0.05 -0.58 1.62 1.28 -1.57 0.00 0.00 175.55 176.35 1auy n LEU 148 N -0.68 0.36 -1.02 -1.29 4.77 -1.26 -4.28 117.00 113.60 1auy n LEU 148 Ca 0.08 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1auy n LEU 148 Cb 0.52 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.47 1auy n LEU 148 CO 0.40 0.09 0.45 -0.90 -1.33 0.00 0.00 177.39 176.10 1auy n ASP 149 N -1.42 2.53 -4.69 -1.43 5.68 -1.26 -1.17 116.55 114.79 1auy n ASP 149 Ca 0.07 -3.85 -0.32 0.00 -0.50 0.00 0.00 54.79 50.19 1auy n ASP 149 Cb 0.33 -0.54 0.14 0.00 -1.14 0.00 0.00 41.12 39.91 1auy n ASP 149 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1auy s SER 150 N -3.06 3.34 0.46 -1.12 0.15 -1.26 -1.54 113.70 110.68 1auy s SER 150 Ca 0.42 2.26 -0.23 0.00 0.70 0.00 0.00 55.95 59.11 1auy s SER 150 Cb 0.39 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 1auy s SER 150 CO -0.03 -2.83 1.20 -2.16 1.20 0.00 0.00 173.24 170.62 1auy s PRO 151 N -4.39 3.71 -0.05 5.44 0.04 -1.24 0.82 135.00 139.34 1auy s PRO 151 Ca 0.70 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.63 1auy s PRO 151 Cb -0.25 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1auy s PRO 151 CO 0.54 -0.62 -0.09 0.21 0.04 0.00 0.00 177.00 177.08 1auy s LYS 152 N -2.66 1.22 -0.19 4.56 2.20 0.85 -2.16 119.74 123.56 1auy s LYS 152 Ca 0.64 -0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.86 1auy s LYS 152 Cb -0.31 -1.08 -0.05 0.00 -1.51 0.00 0.00 37.83 34.88 1auy s LYS 152 CO 0.38 0.03 0.10 -1.17 -0.36 0.00 0.00 175.35 174.33 1auy s LEU 153 N 0.57 4.06 -0.30 5.43 0.20 0.21 -1.46 118.68 127.38 1auy s LEU 153 Ca -0.10 0.18 -0.06 0.00 0.69 0.00 0.00 54.13 54.84 1auy s LEU 153 Cb -0.13 -2.04 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1auy s LEU 153 CO 0.02 0.19 0.07 -0.76 -0.29 0.00 0.00 176.35 175.57 1auy s LEU 154 N 0.30 3.91 0.04 -0.68 1.02 -0.57 -0.79 118.68 121.92 1auy s LEU 154 Ca 0.06 -0.86 0.06 0.00 0.02 0.00 0.00 54.13 53.41 1auy s LEU 154 Cb -0.12 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 1auy s LEU 154 CO -0.01 -0.22 -0.13 -0.63 0.02 0.00 0.00 176.35 175.37 1auy s ILE 155 N 1.45 3.14 -0.07 -0.59 1.01 -0.28 -2.32 121.20 123.55 1auy s ILE 155 Ca 0.01 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1auy s ILE 155 Cb -0.18 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1auy s ILE 155 CO 0.02 0.31 0.16 -0.55 0.00 0.00 0.00 174.94 174.87 1auy s SER 156 N -1.58 -0.14 -0.02 3.58 0.15 -0.80 0.25 113.70 115.14 1auy s SER 156 Ca 0.17 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.16 1auy s SER 156 Cb -0.11 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1auy s SER 156 CO 0.08 -0.12 -0.10 -0.63 1.20 0.00 0.00 173.24 173.66 1auy s ILE 157 N 0.89 0.82 -0.18 6.45 1.09 0.28 0.03 121.20 130.57 1auy s ILE 157 Ca -0.07 -0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1auy s ILE 157 Cb -0.09 -0.71 0.05 0.00 -1.06 0.00 0.00 42.46 40.65 1auy s ILE 157 CO -0.05 0.25 -0.02 0.42 -0.10 0.00 0.00 174.94 175.44 1auy s THR 158 N 0.03 0.94 0.59 2.92 -4.23 -0.86 -0.84 115.64 114.19 1auy s THR 158 Ca -0.01 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 1auy s THR 158 Cb -0.07 -1.25 -0.00 0.00 1.34 0.00 0.00 72.50 72.52 1auy s THR 158 CO 0.00 -0.03 0.92 0.00 -0.54 0.00 0.00 174.62 174.97 1auy s ALA 159 N 1.69 3.25 0.37 3.99 0.00 -1.26 -2.33 121.76 127.46 1auy s ALA 159 Ca -0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1auy s ALA 159 Cb -0.16 -2.70 -0.11 0.00 0.00 0.00 0.00 23.12 20.15 1auy s ALA 159 CO -0.07 -0.75 1.48 -1.14 0.00 0.00 0.00 175.76 175.27 1auy s GLN 160 N -5.01 4.13 0.26 0.00 2.00 -1.26 -4.79 119.66 114.98 1auy s GLN 160 Ca 0.53 2.54 -0.02 0.00 -2.00 0.00 0.00 55.36 56.41 1auy s GLN 160 Cb -0.11 -2.98 0.48 0.00 0.80 0.00 0.00 33.01 31.21 1auy s GLN 160 CO 0.47 -0.51 1.77 -1.00 -0.50 0.00 0.00 175.29 175.52 1auy h PRO 161 N 3.11 0.63 -3.79 1.67 0.13 -1.96 -2.95 132.00 128.83 1auy h PRO 161 Ca -0.51 -0.04 -0.79 0.00 -0.87 0.00 0.00 66.00 63.80 1auy h PRO 161 Cb 1.24 -0.14 -0.26 0.00 0.13 0.00 0.00 31.00 31.96 1auy h PRO 161 CO 0.65 0.42 0.25 0.95 -0.23 0.00 0.00 178.00 180.03 1auy s THR 162 N -5.99 5.71 0.45 1.56 -4.23 -1.26 -5.03 115.64 106.85 1auy s THR 162 Ca -0.12 -2.75 -0.22 0.00 -1.18 0.00 0.00 61.69 57.41 1auy s THR 162 Cb 0.21 -4.53 -0.11 0.00 1.34 0.00 0.00 72.50 69.41 1auy s THR 162 CO 0.78 -1.10 0.75 0.00 -0.54 0.00 0.00 174.62 174.50 1auy n ALA 163 N 3.66 -0.72 -1.47 3.99 0.00 -1.12 -4.98 120.51 119.88 1auy n ALA 163 Ca 0.18 0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1auy n ALA 163 Cb 0.45 -1.92 0.06 0.00 0.00 0.00 0.00 19.45 18.03 1auy n ALA 163 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1auy s PRO 164 N -1.89 2.75 0.50 0.00 0.04 -1.26 -4.90 135.00 130.23 1auy s PRO 164 Ca 0.65 1.15 0.20 0.00 0.04 0.00 0.00 61.00 63.04 1auy s PRO 164 Cb -0.55 -1.96 1.27 0.00 0.04 0.00 0.00 34.50 33.30 1auy s PRO 164 CO 0.56 -1.26 2.08 -1.00 0.04 0.00 0.00 177.00 177.43 1auy h PRO 165 N -0.51 0.00 -4.58 0.56 0.13 -1.97 -3.45 132.00 122.19 1auy h PRO 165 Ca -0.45 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1auy h PRO 165 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1auy h PRO 165 CO 0.55 0.11 -0.50 0.00 -0.23 0.00 0.00 178.00 177.93 1auy s ALA 166 N -4.64 1.26 0.34 -0.56 0.00 -1.26 -5.08 121.76 111.82 1auy s ALA 166 Ca -0.04 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 49.88 1auy s ALA 166 Cb 0.15 1.37 -0.11 0.00 0.00 0.00 0.00 23.12 24.54 1auy s ALA 166 CO 0.65 -0.66 1.44 -1.12 0.00 0.00 0.00 175.76 176.07 1auy s SER 167 N -3.23 6.52 0.15 0.00 0.01 -1.26 -4.55 113.70 111.34 1auy s SER 167 Ca 0.38 2.88 0.24 0.00 1.31 0.00 0.00 55.95 60.76 1auy s SER 167 Cb 0.04 -2.65 0.37 0.00 0.21 0.00 0.00 66.02 63.99 1auy s SER 167 CO 0.18 -0.75 1.36 0.71 0.41 0.00 0.00 173.24 175.15 1auy h THR 168 N 3.10 0.00 -1.72 1.44 1.35 -1.13 -3.41 112.91 112.55 1auy h THR 168 Ca -0.49 -0.55 0.06 0.00 -0.55 0.00 0.00 66.41 64.87 1auy h THR 168 Cb 1.23 1.19 -0.25 0.00 -1.73 0.00 0.00 68.15 68.59 1auy h THR 168 CO 0.68 0.00 0.29 0.00 -0.25 0.00 0.00 175.52 176.24 1auy s ILE 170 N 0.92 4.99 -0.26 0.00 1.01 -0.48 -1.62 121.20 125.76 1auy s ILE 170 Ca -0.04 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1auy s ILE 170 Cb -0.05 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.70 1auy s ILE 170 CO -0.11 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 174.67 1auy s ILE 171 N -0.84 2.72 0.22 2.92 1.01 0.76 -1.12 121.20 126.88 1auy s ILE 171 Ca 0.25 -1.22 0.09 0.00 0.00 0.00 0.00 60.65 59.77 1auy s ILE 171 Cb -0.17 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1auy s ILE 171 CO 0.14 0.10 -0.03 0.42 0.00 0.00 0.00 174.94 175.57 1auy s THR 172 N 1.26 3.41 -0.17 2.92 -4.23 -1.05 0.66 115.64 118.44 1auy s THR 172 Ca -0.03 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1auy s THR 172 Cb -0.18 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1auy s THR 172 CO -0.04 -0.25 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.94 1auy s VAL 173 N -2.03 1.80 0.22 2.29 1.01 0.29 -1.42 120.40 122.56 1auy s VAL 173 Ca 0.29 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1auy s VAL 173 Cb -0.08 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1auy s VAL 173 CO 0.18 0.48 -0.17 -0.44 0.00 0.00 0.00 175.10 175.15 1auy s SER 174 N 1.39 3.77 0.00 3.32 0.01 -0.84 -0.36 113.70 120.99 1auy s SER 174 Ca 0.05 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1auy s SER 174 Cb -0.13 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1auy s SER 174 CO -0.12 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1auy n GLY 175 N -0.14 -1.17 2.90 3.44 0.00 0.01 -1.19 105.19 109.03 1auy n GLY 175 Ca -0.09 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 1auy n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1auy s THR 176 N -2.55 0.58 -0.07 2.61 2.01 -0.76 -0.16 115.64 117.30 1auy s THR 176 Ca 0.00 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1auy s THR 176 Cb 0.00 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1auy s THR 176 CO 0.00 0.24 0.10 -0.76 -0.69 0.00 0.00 174.62 173.51 1auy s LEU 177 N 0.95 4.11 -0.27 4.42 1.43 -0.41 0.04 118.68 128.96 1auy s LEU 177 Ca -0.10 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1auy s LEU 177 Cb -0.14 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1auy s LEU 177 CO 0.00 0.36 -0.04 -0.55 0.23 0.00 0.00 176.35 176.34 1auy s SER 178 N -1.26 4.51 0.29 2.29 0.15 -0.22 -0.79 113.70 118.67 1auy s SER 178 Ca 0.18 -1.02 0.09 0.00 0.70 0.00 0.00 55.95 55.90 1auy s SER 178 Cb -0.12 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.46 1auy s SER 178 CO 0.08 -0.17 -0.13 -0.04 1.20 0.00 0.00 173.24 174.18 1auy s MET 179 N 1.29 1.66 -0.02 5.44 1.00 0.23 -1.78 119.30 127.12 1auy s MET 179 Ca -0.02 -1.81 -0.30 0.00 0.00 0.00 0.00 55.69 53.56 1auy s MET 179 Cb -0.18 -1.53 0.11 0.00 0.00 0.00 0.00 34.83 33.23 1auy s MET 179 CO -0.03 0.18 1.13 -3.38 0.00 0.00 0.00 175.02 172.91 1auy s HIS 180 N -2.71 -0.14 -0.16 -0.03 -3.43 -0.75 -1.51 115.29 106.57 1auy s HIS 180 Ca 0.30 -0.00 -0.02 0.00 -0.80 0.00 0.00 55.06 54.53 1auy s HIS 180 Cb 0.00 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1auy s HIS 180 CO 0.14 -0.43 0.08 0.43 -2.00 0.00 0.00 174.74 172.97 1auy n SER 181 N -0.34 -4.72 -4.74 7.38 7.64 -1.26 -2.41 113.62 115.17 1auy n SER 181 Ca -0.06 0.53 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 1auy n SER 181 Cb 0.61 -2.98 -0.01 0.00 -1.01 0.00 0.00 64.21 60.82 1auy n SER 181 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1auy n PRO 182 N 0.10 2.58 -3.39 1.43 -0.04 -1.26 0.67 135.00 135.09 1auy n PRO 182 Ca 0.02 0.91 -0.39 0.00 -0.04 0.00 0.00 63.50 64.00 1auy n PRO 182 Cb 0.06 -2.65 -0.09 0.00 -0.04 0.00 0.00 33.50 30.78 1auy n PRO 182 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1auy s LEU 183 N -0.83 4.06 -0.26 1.53 0.20 0.81 -4.67 118.68 119.52 1auy s LEU 183 Ca 0.61 0.33 -0.29 0.00 0.69 0.00 0.00 54.13 55.47 1auy s LEU 183 Cb -0.51 -2.44 -0.01 0.00 -0.43 0.00 0.00 46.19 42.79 1auy s LEU 183 CO 0.53 -0.17 1.48 -0.63 -0.29 0.00 0.00 176.35 177.27 1auy s ILE 184 N 1.95 3.89 0.00 6.68 1.01 -1.26 -4.71 121.20 128.76 1auy s ILE 184 Ca 0.16 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1auy s ILE 184 Cb -0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1auy s ILE 184 CO 0.09 -0.38 0.00 1.07 0.00 0.00 0.00 174.94 175.72 1auy n THR 185 N 6.34 0.00 -2.95 2.92 5.66 -1.26 -5.13 114.28 119.86 1auy n THR 185 Ca 0.17 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.76 1auy n THR 185 Cb 0.46 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.19 1auy n THR 185 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1auy s ASP 186 N -0.04 6.85 0.00 1.09 2.15 -1.26 -4.91 116.67 120.55 1auy s ASP 186 Ca 0.00 1.05 0.20 0.00 0.43 0.00 0.00 52.55 54.23 1auy s ASP 186 Cb 0.00 -2.42 0.55 0.00 -0.30 0.00 0.00 42.92 40.75 1auy s ASP 186 CO 0.00 -0.40 1.46 0.35 -0.17 0.00 0.00 175.17 176.42 1auy n THR 187 N 4.87 0.93 -0.33 1.71 -2.24 -1.26 -4.39 114.28 113.56 1auy n THR 187 Ca 0.03 -0.96 0.15 0.00 -2.27 0.00 0.00 64.05 61.00 1auy n THR 187 Cb 0.49 0.57 0.37 0.00 -2.10 0.00 0.00 70.33 69.66 1auy n THR 187 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1auy h SER 188 N 3.89 0.69 0.00 3.42 0.87 -2.08 -3.56 113.55 116.78 1auy h SER 188 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1auy h SER 188 Cb 0.94 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1auy h SER 188 CO 0.00 0.24 0.00 0.35 -0.53 0.00 0.00 176.83 176.89