#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy n SER 2 N 0.00 3.01 -3.66 1.61 7.64 -1.26 -4.97 113.62 115.98 2yuy n SER 2 Ca 0.00 1.09 -0.10 0.00 1.01 0.00 0.00 58.87 60.87 2yuy n SER 2 Cb 0.00 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.70 2yuy n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuy s SER 3 N 0.82 -0.75 0.00 6.43 0.01 -1.26 -5.08 113.70 113.87 2yuy s SER 3 Ca 0.78 1.28 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2yuy s SER 3 Cb -0.68 1.19 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2yuy s SER 3 CO 0.40 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2yuy n GLY 4 N 3.85 -0.03 2.26 3.44 0.00 -1.26 -5.14 105.19 108.31 2yuy n GLY 4 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2yuy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuy n SER 5 N -2.30 -9.26 -4.68 1.61 2.88 -1.26 -4.75 113.62 95.86 2yuy n SER 5 Ca 0.00 1.72 -0.53 0.00 -1.33 0.00 0.00 58.87 58.73 2yuy n SER 5 Cb 0.00 -5.07 -0.06 0.00 -0.75 0.00 0.00 64.21 58.33 2yuy n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuy n SER 6 N 1.79 2.57 -0.47 -3.46 7.64 -1.26 -4.34 113.62 116.10 2yuy n SER 6 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2yuy n SER 6 Cb 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 2yuy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 7 N 3.90 -0.93 3.50 0.23 0.00 -1.26 -4.91 105.19 105.71 2yuy n GLY 7 Ca 0.23 -0.81 -0.52 0.00 0.00 0.00 0.00 46.02 44.93 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 1.57 0.61 3.80 -0.02 0.00 -1.26 -4.91 105.19 104.98 2yuy n GLY 8 Ca 0.00 0.93 -0.34 0.00 0.00 0.00 0.00 46.02 46.61 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N 5.66 3.73 -0.16 1.61 0.04 -1.26 -5.03 135.00 139.59 2yuy s PRO 9 Ca 1.07 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 2yuy s PRO 9 Cb -0.89 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2yuy s PRO 9 CO 0.52 -0.49 0.40 0.21 0.04 0.00 0.00 177.00 177.69 2yuy s LYS 10 N -3.38 4.26 0.07 4.56 2.20 -1.14 -5.03 119.74 121.28 2yuy s LYS 10 Ca 0.67 0.27 0.09 0.00 -0.36 0.00 0.00 55.97 56.63 2yuy s LYS 10 Cb -0.16 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2yuy s LYS 10 CO 0.23 0.10 -0.21 0.99 -0.36 0.00 0.00 175.35 176.09 2yuy s THR 11 N 0.85 2.56 -0.05 3.43 2.01 -1.26 -1.48 115.64 121.71 2yuy s THR 11 Ca 0.21 -1.39 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 2yuy s THR 11 Cb -0.14 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.31 2yuy s THR 11 CO 0.08 0.26 0.09 0.68 -0.69 0.00 0.00 174.62 175.04 2yuy s VAL 12 N -0.96 -0.07 0.05 3.82 -7.23 -0.60 -4.98 120.40 110.44 2yuy s VAL 12 Ca 0.14 0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.51 2yuy s VAL 12 Cb -0.10 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 2yuy s VAL 12 CO 0.06 0.09 0.24 -0.89 -0.31 0.00 0.00 175.10 174.28 2yuy s THR 13 N 1.22 5.35 0.09 5.32 2.01 -1.26 0.48 115.64 128.85 2yuy s THR 13 Ca -0.08 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.75 2yuy s THR 13 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2yuy s THR 13 CO -0.05 0.20 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.24 2yuy s LEU 14 N -2.30 2.44 -0.11 4.42 1.02 0.14 -4.54 118.68 119.75 2yuy s LEU 14 Ca 0.33 -0.87 0.01 0.00 0.02 0.00 0.00 54.13 53.62 2yuy s LEU 14 Cb -0.13 -0.20 0.02 0.00 0.02 0.00 0.00 46.19 45.91 2yuy s LEU 14 CO 0.24 -0.34 -0.12 -0.54 0.02 0.00 0.00 176.35 175.60 2yuy s LYS 15 N -3.13 1.94 -0.38 1.70 1.02 -1.26 -0.03 119.74 119.60 2yuy s LYS 15 Ca 0.07 -0.44 -0.39 0.00 0.02 0.00 0.00 55.97 55.23 2yuy s LYS 15 Cb -0.00 -1.77 -0.14 0.00 -0.52 0.00 0.00 37.83 35.40 2yuy s LYS 15 CO -0.02 -0.15 2.09 -2.13 -0.92 0.00 0.00 175.35 174.22 2yuy n ARG 16 N 4.50 0.77 -4.64 1.68 0.63 0.90 -4.81 116.66 115.69 2yuy n ARG 16 Ca -0.17 0.23 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 2yuy n ARG 16 Cb 0.51 -2.12 -0.16 0.00 0.45 0.00 0.00 32.46 31.14 2yuy n ARG 16 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2yuy s THR 17 N 6.26 2.17 0.00 5.15 -1.32 -1.02 -4.90 115.64 121.98 2yuy s THR 17 Ca 1.11 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 2yuy s THR 17 Cb -1.09 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2yuy s THR 17 CO 0.57 0.54 0.00 -0.24 -2.21 0.00 0.00 174.62 173.28 2yuy n SER 18 N 4.07 0.00 0.09 8.08 2.88 -1.26 -3.15 113.62 124.33 2yuy n SER 18 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2yuy n SER 18 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2yuy n SER 18 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2yuy n GLN 19 N 0.00 0.00 -0.37 -1.46 7.27 -1.26 -5.13 117.38 116.42 2yuy n GLN 19 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2yuy n GLN 19 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2yuy n GLY 20 N 0.91 0.26 1.90 1.69 0.00 -1.19 -5.01 105.19 103.74 2yuy n GLY 20 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 2yuy n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yuy n PHE 21 N -1.31 2.47 0.00 1.61 3.72 -1.26 -2.44 117.46 120.24 2yuy n PHE 21 Ca 0.00 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 55.11 2yuy n PHE 21 Cb 0.00 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yuy n GLY 22 N -0.86 1.56 3.20 1.37 0.00 -1.26 -4.19 105.19 105.01 2yuy n GLY 22 Ca 0.46 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 2yuy n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2yuy n PHE 23 N 0.00 -1.70 -4.08 1.61 -1.74 -1.26 -4.27 117.46 106.02 2yuy n PHE 23 Ca 0.00 0.27 -0.08 0.00 -0.56 0.00 0.00 57.45 57.08 2yuy n PHE 23 Cb 0.00 -1.54 -0.10 0.00 1.52 0.00 0.00 39.48 39.37 2yuy n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2yuy s THR 24 N -2.18 0.16 0.52 1.97 -1.32 -0.97 -4.90 115.64 108.92 2yuy s THR 24 Ca 0.50 -1.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 2yuy s THR 24 Cb -0.08 -1.72 0.03 0.00 -1.51 0.00 0.00 72.50 69.22 2yuy s THR 24 CO 0.68 -0.72 0.43 -0.76 -2.21 0.00 0.00 174.62 172.03 2yuy s LEU 25 N -2.97 2.89 -0.29 9.08 2.01 -1.26 -1.38 118.68 126.77 2yuy s LEU 25 Ca 0.14 -1.10 -0.18 0.00 0.01 0.00 0.00 54.13 52.99 2yuy s LEU 25 Cb 0.07 -1.41 0.16 0.00 0.01 0.00 0.00 46.19 45.02 2yuy s LEU 25 CO -0.05 -1.02 1.10 -0.60 1.01 0.00 0.00 176.35 176.79 2yuy s ARG 26 N -4.28 0.29 0.28 1.70 3.52 -1.11 -4.67 118.95 114.68 2yuy s ARG 26 Ca 0.40 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.35 2yuy s ARG 26 Cb -0.02 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2yuy s ARG 26 CO 0.24 -0.05 0.57 1.58 -0.81 0.00 0.00 175.30 176.83 2yuy n HIS 27 N 3.09 -1.98 0.00 5.12 -0.00 -1.26 -4.16 115.22 116.03 2yuy n HIS 27 Ca -0.16 -1.34 0.00 0.00 0.46 0.00 0.00 57.72 56.68 2yuy n HIS 27 Cb 0.57 0.66 0.00 0.00 -0.12 0.00 0.00 29.99 31.10 2yuy n HIS 27 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2yuy n PHE 28 N -0.38 -0.19 -1.43 1.57 7.35 -1.26 -5.05 117.46 118.07 2yuy n PHE 28 Ca -0.06 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.17 2yuy n PHE 28 Cb 0.43 0.39 -0.14 0.00 0.35 0.00 0.00 39.48 40.51 2yuy n PHE 28 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2yuy n ILE 29 N -2.28 0.00 0.00 -2.13 2.08 -1.26 -4.81 119.36 110.96 2yuy n ILE 29 Ca 0.00 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2yuy n ILE 29 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 38.31 2yuy n ILE 29 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 2yuy n VAL 30 N 7.24 0.00 -2.52 1.39 3.14 -1.26 -4.93 118.33 121.39 2yuy n VAL 30 Ca 0.62 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.95 2yuy n VAL 30 Cb 0.03 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.77 2yuy n VAL 30 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2yuy n TYR 31 N 0.00 -4.51 -1.54 1.45 4.02 -1.26 -4.94 117.16 110.38 2yuy n TYR 31 Ca 0.00 2.64 -0.29 0.00 -0.01 0.00 0.00 57.90 60.24 2yuy n TYR 31 Cb 0.00 -3.88 0.12 0.00 -0.02 0.00 0.00 39.34 35.56 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2yuy s PRO 32 N -0.67 1.41 -0.06 -0.72 0.04 -1.26 -4.99 135.00 128.74 2yuy s PRO 32 Ca -0.24 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.07 2yuy s PRO 32 Cb 0.02 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2yuy s PRO 32 CO 0.64 -2.03 0.49 -1.00 0.04 0.00 0.00 177.00 175.14 2yuy h PRO 33 N -1.38 -0.28 0.00 0.56 0.13 -1.94 -3.48 132.00 125.60 2yuy h PRO 33 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2yuy h PRO 33 Cb 1.31 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2yuy h PRO 33 CO 0.61 -0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.45 2yuy n GLU 34 N -4.97 0.00 -2.74 0.86 0.28 -1.26 -4.88 120.64 107.93 2yuy n GLU 34 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2yuy n GLU 34 Cb 0.17 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.09 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2yuy n SER 35 N -2.40 1.37 -3.58 -1.84 2.88 -1.26 -4.97 113.62 103.82 2yuy n SER 35 Ca 0.00 -2.03 -0.41 0.00 -1.33 0.00 0.00 58.87 55.10 2yuy n SER 35 Cb 0.00 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.05 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n ALA 36 N -0.58 6.42 0.47 -1.46 0.00 -1.26 -4.32 120.51 119.78 2yuy n ALA 36 Ca 0.06 -4.00 0.09 0.00 0.00 0.00 0.00 53.44 49.58 2yuy n ALA 36 Cb 0.83 -3.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.09 2yuy n ALA 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yuy n ILE 37 N 3.01 0.00 -4.38 0.00 5.41 -1.26 -4.92 119.36 117.22 2yuy n ILE 37 Ca 0.58 -0.24 -0.24 0.00 1.00 0.00 0.00 62.75 63.85 2yuy n ILE 37 Cb 0.29 0.57 -0.09 0.00 -0.71 0.00 0.00 39.64 39.70 2yuy n ILE 37 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2yuy s GLN 38 N -3.02 2.02 0.09 0.38 1.11 -1.26 -5.07 119.66 113.90 2yuy s GLN 38 Ca 0.01 -1.73 -0.01 0.00 0.01 0.00 0.00 55.36 53.64 2yuy s GLN 38 Cb 0.13 -1.91 -0.00 0.00 -1.01 0.00 0.00 33.01 30.22 2yuy s GLN 38 CO 0.78 0.20 -0.01 1.19 0.01 0.00 0.00 175.29 177.46 2yuy n PHE 39 N -0.87 0.00 -0.56 0.91 3.01 -1.26 -5.15 117.46 113.53 2yuy n PHE 39 Ca -0.05 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.43 2yuy n PHE 39 Cb 0.62 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.06 2yuy n PHE 39 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2yuy n SER 40 N -3.52 -3.02 -4.74 4.37 2.88 -1.26 -5.00 113.62 103.32 2yuy n SER 40 Ca -0.01 0.64 -0.23 0.00 -1.33 0.00 0.00 58.87 57.94 2yuy n SER 40 Cb 0.03 -1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 62.01 2yuy n SER 40 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2yuy s TYR 41 N -4.18 2.96 0.57 0.66 1.51 -1.26 -5.10 117.35 112.51 2yuy s TYR 41 Ca 0.00 -0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.73 2yuy s TYR 41 Cb 0.00 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2yuy s TYR 41 CO 0.00 0.55 1.20 0.15 -1.11 0.00 0.00 175.55 176.34 2yuy s LYS 42 N -3.56 3.13 -0.03 -0.62 3.01 -1.26 -5.04 119.74 115.37 2yuy s LYS 42 Ca 0.31 1.81 -0.02 0.00 -1.01 0.00 0.00 55.97 57.07 2yuy s LYS 42 Cb -0.08 -2.01 0.02 0.00 -1.01 0.00 0.00 37.83 34.75 2yuy s LYS 42 CO 0.22 -1.08 0.07 0.34 0.51 0.00 0.00 175.35 175.42 2yuy s ASP 43 N -1.56 -0.03 -1.13 2.83 -1.08 -1.26 -5.07 116.67 109.37 2yuy s ASP 43 Ca 0.75 0.14 -0.23 0.00 -0.52 0.00 0.00 52.55 52.68 2yuy s ASP 43 Cb -0.30 0.07 -0.08 0.00 -1.46 0.00 0.00 42.92 41.16 2yuy s ASP 43 CO 0.33 -0.08 1.94 -0.70 0.52 0.00 0.00 175.17 177.18 2yuy s GLU 44 N 0.63 2.47 0.00 4.34 -6.30 -1.26 -4.39 118.70 114.19 2yuy s GLU 44 Ca -0.05 -0.98 0.00 0.00 -2.50 0.00 0.00 54.97 51.44 2yuy s GLU 44 Cb -0.07 -5.20 0.00 0.00 0.00 0.00 0.00 34.13 28.86 2yuy s GLU 44 CO -0.02 -3.91 0.00 -1.91 0.02 0.00 0.00 175.26 169.44 2yuy n GLU 45 N 8.39 0.00 0.00 4.30 2.13 -1.26 -5.17 120.64 129.03 2yuy n GLU 45 Ca 0.44 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2yuy n GLU 45 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 2yuy n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2yuy n ASN 46 N 0.00 0.00 0.17 4.31 5.15 -1.26 -5.10 115.26 118.53 2yuy n ASN 46 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2yuy n ASN 46 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yuy n GLY 47 N -0.16 -0.71 3.73 8.20 0.00 -1.26 -5.11 105.19 109.88 2yuy n GLY 47 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2yuy n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yuy s ASN 48 N -4.23 4.36 0.00 1.61 0.01 -1.26 -5.02 114.94 110.42 2yuy s ASN 48 Ca 0.00 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 54.51 2yuy s ASN 48 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2yuy s ASN 48 CO 0.00 -2.15 0.00 0.54 -1.51 0.00 0.00 177.10 173.98 2yuy n ARG 49 N -2.53 0.00 0.00 -0.60 1.74 -1.26 -5.19 116.66 108.82 2yuy n ARG 49 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2yuy n ARG 49 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2yuy n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yuy n GLY 50 N -0.15 4.50 0.00 -0.13 0.00 -1.26 -5.17 105.19 102.98 2yuy n GLY 50 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N -1.95 4.62 2.68 -0.02 0.00 -1.26 -5.11 105.19 104.15 2yuy n GLY 51 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 2yuy n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 52 N 0.00 0.41 -1.34 1.61 4.01 -1.26 -5.12 118.16 116.47 2yuy n LYS 52 Ca 0.00 -1.08 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 2yuy n LYS 52 Cb 0.00 -0.44 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 2yuy n LYS 52 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2yuy n GLN 53 N 0.54 -3.79 -3.75 1.97 7.27 -1.26 -5.06 117.38 113.30 2yuy n GLN 53 Ca -0.02 2.77 -0.12 0.00 0.07 0.00 0.00 57.00 59.70 2yuy n GLN 53 Cb 0.74 -3.08 -0.12 0.00 2.41 0.00 0.00 30.24 30.19 2yuy n GLN 53 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2yuy s ARG 54 N -3.26 0.31 0.00 3.69 3.00 -1.26 -5.15 118.95 116.27 2yuy s ARG 54 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 55.73 56.22 2yuy s ARG 54 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 34.95 35.00 2yuy s ARG 54 CO 0.00 -0.09 0.00 -1.71 0.00 0.00 0.00 175.30 173.50 2yuy n ASN 55 N 3.50 0.00 -4.29 0.23 2.85 -1.26 -4.99 115.26 111.30 2yuy n ASN 55 Ca -0.18 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.14 2yuy n ASN 55 Cb 0.56 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.48 2yuy n ASN 55 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2yuy s ARG 56 N -2.00 1.20 -1.16 1.20 6.06 -1.26 -5.05 118.95 117.94 2yuy s ARG 56 Ca 0.00 -1.57 -0.19 0.00 -2.50 0.00 0.00 55.73 51.46 2yuy s ARG 56 Cb 0.00 -0.54 -0.04 0.00 0.06 0.00 0.00 34.95 34.42 2yuy s ARG 56 CO 0.00 -0.05 1.95 1.28 -2.50 0.00 0.00 175.30 175.99 2yuy n LEU 57 N -0.31 4.68 -4.79 -0.88 7.99 -1.26 -4.94 117.00 117.49 2yuy n LEU 57 Ca -0.07 -3.49 -0.32 0.00 -0.01 0.00 0.00 56.01 52.12 2yuy n LEU 57 Cb 0.63 -1.54 0.05 0.00 -0.11 0.00 0.00 43.42 42.44 2yuy n LEU 57 CO 0.35 -0.27 0.72 -1.61 -1.51 0.00 0.00 177.39 175.06 2yuy s GLU 58 N 4.77 2.88 -0.06 3.23 2.02 -1.26 -4.99 118.70 125.29 2yuy s GLU 58 Ca 0.57 1.20 -0.25 0.00 0.02 0.00 0.00 54.97 56.51 2yuy s GLU 58 Cb 0.08 -1.97 -0.23 0.00 0.10 0.00 0.00 34.13 32.11 2yuy s GLU 58 CO 0.07 -1.17 1.04 -1.00 0.02 0.00 0.00 175.26 174.22 2yuy h PRO 59 N -0.23 0.12 -0.58 0.39 0.13 -1.92 -3.45 132.00 126.46 2yuy h PRO 59 Ca -0.46 -0.12 0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2yuy h PRO 59 Cb 1.23 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 2yuy h PRO 59 CO 0.55 0.85 -0.12 -1.64 -0.23 0.00 0.00 178.00 177.41 2yuy s MET 60 N -3.24 0.33 -0.41 0.86 -1.94 -1.26 -5.12 119.30 108.52 2yuy s MET 60 Ca -0.16 0.41 -0.09 0.00 -1.71 0.00 0.00 55.69 54.14 2yuy s MET 60 Cb 0.01 0.21 0.07 0.00 2.01 0.00 0.00 34.83 37.12 2yuy s MET 60 CO 0.72 -0.52 0.24 0.34 -0.01 0.00 0.00 175.02 175.79 2yuy s ASP 61 N 2.91 5.64 0.04 3.03 -1.08 -1.26 -4.65 116.67 121.29 2yuy s ASP 61 Ca 0.16 -1.39 -0.08 0.00 -0.52 0.00 0.00 52.55 50.71 2yuy s ASP 61 Cb -0.08 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 2yuy s ASP 61 CO -0.21 -0.50 0.17 -0.89 0.52 0.00 0.00 175.17 174.26 2yuy s THR 62 N 1.45 0.11 -0.06 1.71 2.01 -1.26 -4.96 115.64 114.64 2yuy s THR 62 Ca 0.02 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2yuy s THR 62 Cb -0.22 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 2yuy s THR 62 CO 0.03 -0.50 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.65 2yuy s ILE 63 N -2.46 2.75 -0.01 1.82 1.09 -1.26 -4.89 121.20 118.24 2yuy s ILE 63 Ca -0.06 -0.82 -0.01 0.00 -1.10 0.00 0.00 60.65 58.65 2yuy s ILE 63 Cb -0.02 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.32 2yuy s ILE 63 CO -0.03 0.57 0.03 -0.36 -0.10 0.00 0.00 174.94 175.05 2yuy s PHE 64 N -0.43 -0.00 0.55 3.97 0.08 -1.26 -3.35 117.98 117.54 2yuy s PHE 64 Ca 0.05 0.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.92 2yuy s PHE 64 Cb -0.12 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 2yuy s PHE 64 CO 0.02 -0.04 1.18 0.08 -0.10 0.00 0.00 175.22 176.35 2yuy s VAL 65 N -0.18 2.87 -0.01 -0.44 1.01 0.07 -2.76 120.40 120.97 2yuy s VAL 65 Ca -0.02 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 2yuy s VAL 65 Cb -0.01 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2yuy s VAL 65 CO -0.00 -0.10 -0.01 1.17 0.00 0.00 0.00 175.10 176.16 2yuy n LYS 66 N -1.29 0.03 -4.13 2.72 4.81 -0.48 -3.25 118.16 116.58 2yuy n LYS 66 Ca 0.12 0.01 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 2yuy n LYS 66 Cb 0.50 -0.80 -0.10 0.00 0.02 0.00 0.00 35.03 34.65 2yuy n LYS 66 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2yuy s GLN 67 N -2.02 0.82 -0.21 1.64 1.03 -1.25 -4.93 119.66 114.74 2yuy s GLN 67 Ca -0.02 -1.36 -0.04 0.00 0.04 0.00 0.00 55.36 53.98 2yuy s GLN 67 Cb 0.01 0.23 0.07 0.00 0.03 0.00 0.00 33.01 33.35 2yuy s GLN 67 CO 0.02 -0.21 0.08 0.08 -2.54 0.00 0.00 175.29 172.72 2yuy s VAL 68 N -4.00 0.21 -0.94 3.63 1.01 -1.26 -2.29 120.40 116.75 2yuy s VAL 68 Ca 0.18 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2yuy s VAL 68 Cb 0.08 -0.88 -0.22 0.00 0.00 0.00 0.00 36.38 35.36 2yuy s VAL 68 CO -0.02 -0.34 2.59 1.17 0.00 0.00 0.00 175.10 178.49 2yuy n LYS 69 N 5.16 0.12 -1.56 2.72 0.00 -1.26 -4.67 118.16 118.67 2yuy n LYS 69 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 2yuy n LYS 69 Cb 0.47 -1.67 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 2yuy n LYS 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2yuy n GLU 70 N 8.13 0.38 0.00 1.64 2.13 -1.26 0.36 120.64 132.01 2yuy n GLU 70 Ca 0.63 -1.12 0.00 0.00 0.66 0.00 0.00 57.16 57.33 2yuy n GLU 70 Cb 0.11 -3.70 0.00 0.00 0.27 0.00 0.00 31.44 28.12 2yuy n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yuy n GLY 71 N 6.53 1.76 0.00 8.31 0.00 -1.26 -5.12 105.19 115.40 2yuy n GLY 71 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.66 3.37 0.03 -0.02 0.00 0.16 -4.98 105.19 103.09 2yuy n GLY 72 Ca 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 -0.05 -0.92 1.61 0.13 -1.83 -2.92 132.00 128.02 2yuy h PRO 73 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.39 2yuy h PRO 73 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 2yuy h PRO 73 CO 0.00 -0.03 0.17 0.00 -0.23 0.00 0.00 178.00 177.90 2yuy h ALA 74 N -1.85 1.27 -0.34 -0.56 0.00 -1.84 0.57 119.26 116.51 2yuy h ALA 74 Ca -0.01 0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2yuy h ALA 74 Cb 0.04 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2yuy h ALA 74 CO 0.01 -0.54 -0.14 0.35 0.00 0.00 0.00 179.25 178.93 2yuy h PHE 75 N 0.11 -0.32 -0.01 0.00 3.57 -1.74 0.23 116.94 118.78 2yuy h PHE 75 Ca 0.58 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 62.12 2yuy h PHE 75 Cb 1.22 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 2yuy h PHE 75 CO -0.34 -0.21 0.01 0.93 -2.23 0.00 0.00 178.31 176.47 2yuy h GLU 76 N -0.07 0.02 -0.29 1.11 4.39 0.23 -1.52 114.58 118.45 2yuy h GLU 76 Ca 0.17 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.95 2yuy h GLU 76 Cb 0.33 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2yuy h GLU 76 CO -0.39 0.14 0.54 0.00 -1.16 0.00 0.00 179.01 178.14 2yuy h ALA 77 N 0.88 1.90 0.00 3.43 0.00 -0.24 -3.43 119.26 121.80 2yuy h ALA 77 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yuy h ALA 77 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2yuy h ALA 77 CO -0.00 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.98 2yuy n GLY 78 N -1.41 1.05 3.74 0.00 0.00 -0.42 -4.88 105.19 103.27 2yuy n GLY 78 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2yuy n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuy s LEU 79 N 0.00 2.58 0.00 0.99 2.96 0.68 -5.00 118.68 120.89 2yuy s LEU 79 Ca 0.00 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 2yuy s LEU 79 Cb 0.00 -4.15 0.00 0.00 0.50 0.00 0.00 46.19 42.54 2yuy s LEU 79 CO 0.00 -2.36 0.00 0.00 -1.32 0.00 0.00 176.35 172.67 2yuy s THR 81 N -2.13 4.68 0.00 0.00 2.01 -1.26 -4.39 115.64 114.55 2yuy s THR 81 Ca 0.00 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2yuy s THR 81 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2yuy s THR 81 CO 0.00 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 2yuy n GLY 82 N -0.73 3.15 3.74 4.40 0.00 -1.20 -4.94 105.19 109.61 2yuy n GLY 82 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2yuy n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuy s ASP 83 N -1.05 4.68 -0.04 1.61 1.01 -1.26 -4.64 116.67 116.98 2yuy s ASP 83 Ca 0.00 2.28 0.05 0.00 0.71 0.00 0.00 52.55 55.59 2yuy s ASP 83 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2yuy s ASP 83 CO 0.00 -1.93 -0.19 0.00 0.21 0.00 0.00 175.17 173.26 2yuy s ARG 84 N -3.78 1.95 -0.27 8.23 1.70 -1.26 -0.75 118.95 124.77 2yuy s ARG 84 Ca 0.74 -0.69 -0.27 0.00 -0.47 0.00 0.00 55.73 55.03 2yuy s ARG 84 Cb -0.27 -1.70 0.01 0.00 -0.57 0.00 0.00 34.95 32.41 2yuy s ARG 84 CO 0.41 0.30 0.95 0.42 -1.08 0.00 0.00 175.30 176.30 2yuy s ILE 85 N -0.07 4.69 -0.19 4.99 1.09 -1.21 -4.00 121.20 126.49 2yuy s ILE 85 Ca -0.02 1.67 0.18 0.00 -1.10 0.00 0.00 60.65 61.37 2yuy s ILE 85 Cb -0.12 -4.26 -0.25 0.00 -1.06 0.00 0.00 42.46 36.77 2yuy s ILE 85 CO 0.02 -0.25 0.11 2.30 -0.10 0.00 0.00 174.94 177.02 2yuy n ILE 86 N 5.50 1.39 -4.35 2.92 -5.35 0.13 -4.69 119.36 114.91 2yuy n ILE 86 Ca 0.09 -0.85 -0.18 0.00 -0.27 0.00 0.00 62.75 61.54 2yuy n ILE 86 Cb 0.47 -0.49 -0.10 0.00 -1.74 0.00 0.00 39.64 37.77 2yuy n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yuy s LYS 87 N -2.51 1.37 -0.25 6.28 1.02 -1.23 -3.32 119.74 121.11 2yuy s LYS 87 Ca -0.10 -1.70 -0.07 0.00 0.02 0.00 0.00 55.97 54.13 2yuy s LYS 87 Cb 0.06 -0.71 0.12 0.00 -0.52 0.00 0.00 37.83 36.78 2yuy s LYS 87 CO 0.83 -0.07 0.51 0.08 -0.92 0.00 0.00 175.35 175.78 2yuy s VAL 88 N -3.35 -0.80 -1.25 3.17 1.01 -1.26 -3.31 120.40 114.62 2yuy s VAL 88 Ca 0.29 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 2yuy s VAL 88 Cb 0.05 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.64 2yuy s VAL 88 CO 0.09 0.02 0.48 -0.46 0.00 0.00 0.00 175.10 175.23 2yuy n ASN 89 N 5.41 -2.64 -3.81 3.32 0.23 -0.70 0.22 115.26 117.29 2yuy n ASN 89 Ca -0.08 -1.25 -0.27 0.00 -0.53 0.00 0.00 54.58 52.44 2yuy n ASN 89 Cb 0.50 -1.51 -0.05 0.00 -2.08 0.00 0.00 39.78 36.63 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yuy n GLY 90 N -2.18 -0.44 0.04 4.83 0.00 -1.26 -4.71 105.19 101.47 2yuy n GLY 90 Ca -0.16 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2yuy n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuy n GLU 91 N -3.49 1.50 -1.47 1.61 0.00 0.59 -5.11 120.64 114.27 2yuy n GLU 91 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2yuy n GLU 91 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.61 2yuy n GLU 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2yuy n SER 92 N -2.26 -7.71 -2.98 4.31 7.64 -1.20 -4.84 113.62 106.58 2yuy n SER 92 Ca -0.13 1.04 -0.34 0.00 1.01 0.00 0.00 58.87 60.45 2yuy n SER 92 Cb 0.69 -3.72 0.01 0.00 -1.01 0.00 0.00 64.21 60.18 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yuy n VAL 93 N 0.42 3.77 -2.75 0.44 0.24 -1.21 -4.81 118.33 114.44 2yuy n VAL 93 Ca 0.00 -5.15 -0.42 0.00 -2.04 0.00 0.00 64.34 56.73 2yuy n VAL 93 Cb 0.00 -1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 30.98 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2yuy s ILE 94 N -4.89 4.18 0.00 1.34 -1.09 -1.26 -3.84 121.20 115.63 2yuy s ILE 94 Ca 0.47 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2yuy s ILE 94 Cb 0.34 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 2yuy s ILE 94 CO -0.23 -1.64 0.00 0.61 -1.23 0.00 0.00 174.94 172.45 2yuy n GLY 95 N 5.59 3.04 3.50 6.18 0.00 -1.26 -5.03 105.19 117.22 2yuy n GLY 95 Ca 0.08 -0.56 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 2yuy n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 96 N 0.00 0.59 -2.86 1.61 5.02 -1.25 -4.93 118.16 116.35 2yuy n LYS 96 Ca 0.00 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 2yuy n LYS 96 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 2yuy n LYS 96 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2yuy s THR 97 N -0.64 4.93 0.22 -0.18 -1.32 -1.26 -4.76 115.64 112.63 2yuy s THR 97 Ca 0.69 0.17 -0.18 0.00 -1.21 0.00 0.00 61.69 61.16 2yuy s THR 97 Cb -0.91 -3.83 0.22 0.00 -1.51 0.00 0.00 72.50 66.47 2yuy s THR 97 CO 0.56 -0.69 1.56 0.22 -2.21 0.00 0.00 174.62 174.06 2yuy h TYR 98 N 0.66 -1.10 -0.74 9.09 3.20 -1.93 0.96 116.97 127.10 2yuy h TYR 98 Ca -0.47 0.10 0.12 0.00 3.14 0.00 0.00 58.73 61.62 2yuy h TYR 98 Cb 1.20 0.62 -0.08 0.00 1.54 0.00 0.00 36.73 40.01 2yuy h TYR 98 CO 0.58 -0.40 0.34 0.77 -1.64 0.00 0.00 178.16 177.80 2yuy h SER 99 N -0.02 0.39 0.42 -2.11 0.02 -1.98 0.68 113.55 110.95 2yuy h SER 99 Ca 0.33 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.34 2yuy h SER 99 Cb 0.59 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2yuy h SER 99 CO -0.95 0.19 -0.20 1.56 -1.14 0.00 0.00 176.83 176.29 2yuy h GLN 100 N 0.54 -0.54 -0.74 3.45 4.20 0.42 -2.71 115.11 119.73 2yuy h GLN 100 Ca 0.39 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.30 2yuy h GLN 100 Cb 0.51 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.29 2yuy h GLN 100 CO -0.33 -0.36 0.10 -0.39 -0.67 0.00 0.00 178.83 177.18 2yuy h VAL 101 N -0.59 0.44 -0.92 -0.54 -1.51 -0.38 0.36 116.25 113.11 2yuy h VAL 101 Ca -0.06 -0.06 0.25 0.00 -1.23 0.00 0.00 66.70 65.60 2yuy h VAL 101 Cb 0.43 0.23 -0.16 0.00 -2.13 0.00 0.00 31.29 29.66 2yuy h VAL 101 CO 0.09 0.03 0.09 0.40 -1.23 0.00 0.00 177.57 176.95 2yuy h ILE 102 N 0.19 0.15 -0.28 7.19 1.08 0.48 1.03 117.51 127.34 2yuy h ILE 102 Ca 0.41 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.84 2yuy h ILE 102 Cb 0.72 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2yuy h ILE 102 CO -0.57 0.01 0.09 0.00 -0.69 0.00 0.00 178.15 176.99 2yuy h ALA 103 N 1.89 0.37 -0.98 1.87 0.00 0.03 1.00 119.26 123.43 2yuy h ALA 103 Ca 0.56 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.53 2yuy h ALA 103 Cb 1.14 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2yuy h ALA 103 CO -0.81 -0.00 0.62 -0.07 0.00 0.00 0.00 179.25 178.98 2yuy h LEU 104 N 0.29 0.65 -0.04 0.00 3.38 0.16 1.22 115.31 120.96 2yuy h LEU 104 Ca 0.09 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2yuy h LEU 104 Cb 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2yuy h LEU 104 CO -0.00 0.22 -0.27 0.40 0.09 0.00 0.00 178.44 178.88 2yuy h ILE 105 N 0.62 1.46 0.00 1.22 2.04 -0.21 0.24 117.51 122.89 2yuy h ILE 105 Ca 0.55 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2yuy h ILE 105 Cb 1.05 2.46 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2yuy h ILE 105 CO -0.32 0.49 -0.06 1.56 0.00 0.00 0.00 178.15 179.83 2yuy h GLN 106 N -0.29 0.00 -0.60 2.37 4.20 0.15 0.18 115.11 121.12 2yuy h GLN 106 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2yuy h GLN 106 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2yuy h GLN 106 CO 0.06 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 178.36 2yuy n ASN 107 N -4.08 3.69 0.16 1.46 3.02 0.40 -4.32 115.26 115.58 2yuy n ASN 107 Ca -0.03 -1.99 0.11 0.00 -0.03 0.00 0.00 54.58 52.64 2yuy n ASN 107 Cb 0.14 -0.39 0.57 0.00 -0.61 0.00 0.00 39.78 39.49 2yuy n ASN 107 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2yuy n SER 108 N 1.46 0.55 0.00 6.41 3.41 0.62 -4.93 113.62 121.14 2yuy n SER 108 Ca 0.21 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2yuy n SER 108 Cb 0.59 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yuy n ASP 109 N -2.24 -0.03 0.15 4.04 2.03 -1.26 -4.15 116.55 115.09 2yuy n ASP 109 Ca -0.01 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.13 2yuy n ASP 109 Cb 0.04 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.00 -2.74 5.18 2.02 -1.96 -3.43 112.91 111.98 2yuy h THR 110 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 2yuy h THR 110 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 66.45 2yuy h THR 110 CO 0.00 0.00 -0.07 0.42 0.37 0.00 0.00 175.52 176.24 2yuy s THR 111 N -5.79 3.74 -0.23 3.16 -4.23 -1.26 -0.07 115.64 110.96 2yuy s THR 111 Ca -0.17 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2yuy s THR 111 Cb 0.06 -3.39 0.12 0.00 1.34 0.00 0.00 72.50 70.62 2yuy s THR 111 CO 0.61 -0.28 0.32 -0.22 -0.54 0.00 0.00 174.62 174.51 2yuy s LEU 112 N -4.61 -0.43 -0.03 4.79 1.98 0.96 -4.68 118.68 116.66 2yuy s LEU 112 Ca 0.50 0.05 -0.13 0.00 -2.89 0.00 0.00 54.13 51.67 2yuy s LEU 112 Cb -0.10 0.83 -0.05 0.00 0.66 0.00 0.00 46.19 47.53 2yuy s LEU 112 CO 0.38 -0.31 0.34 -0.70 -1.89 0.00 0.00 176.35 174.17 2yuy s GLU 113 N 2.46 3.79 0.40 1.98 2.12 -1.26 0.26 118.70 128.45 2yuy s GLU 113 Ca 0.10 0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.73 2yuy s GLU 113 Cb -0.16 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2yuy s GLU 113 CO -0.14 0.71 0.10 -0.51 -0.54 0.00 0.00 175.26 174.88 2yuy s LEU 114 N -1.06 2.05 -0.21 2.70 1.43 0.18 -1.73 118.68 122.04 2yuy s LEU 114 Ca 0.21 -1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 51.61 2yuy s LEU 114 Cb -0.15 -0.21 0.08 0.00 0.03 0.00 0.00 46.19 45.94 2yuy s LEU 114 CO 0.11 -0.86 0.46 -0.44 0.23 0.00 0.00 176.35 175.85 2yuy s SER 115 N -3.61 -0.49 0.45 2.29 0.01 -1.21 -1.55 113.70 109.59 2yuy s SER 115 Ca 0.25 1.07 0.03 0.00 1.31 0.00 0.00 55.95 58.61 2yuy s SER 115 Cb 0.04 1.29 -0.03 0.00 0.21 0.00 0.00 66.02 67.53 2yuy s SER 115 CO 0.14 -0.22 0.06 0.68 0.41 0.00 0.00 173.24 174.30 2yuy s VAL 116 N 2.21 1.03 -0.41 3.43 -7.23 -0.55 0.17 120.40 119.05 2yuy s VAL 116 Ca -0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2yuy s VAL 116 Cb -0.10 -2.37 0.14 0.00 0.56 0.00 0.00 36.38 34.60 2yuy s VAL 116 CO -0.14 0.00 0.23 -0.04 -0.31 0.00 0.00 175.10 174.84 2yuy s MET 117 N -3.80 1.02 0.90 4.82 -1.94 -1.26 -2.88 119.30 116.16 2yuy s MET 117 Ca 0.18 -1.76 -0.12 0.00 -1.71 0.00 0.00 55.69 52.28 2yuy s MET 117 Cb 0.03 -1.98 0.13 0.00 2.01 0.00 0.00 34.83 35.03 2yuy s MET 117 CO 0.10 -1.17 1.13 -1.25 -0.01 0.00 0.00 175.02 173.82 2yuy s PRO 118 N 0.62 1.25 0.16 2.03 0.04 -1.26 -4.89 135.00 132.95 2yuy s PRO 118 Ca 0.18 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2yuy s PRO 118 Cb -0.24 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2yuy s PRO 118 CO 0.00 -2.13 0.00 1.17 0.04 0.00 0.00 177.00 176.09 2yuy n LYS 119 N -3.72 0.00 -3.62 4.56 3.00 -1.26 -5.06 118.16 112.06 2yuy n LYS 119 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.98 2yuy n LYS 119 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.51 2yuy n LYS 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2yuy s ASP 120 N -4.52 5.66 -0.05 3.14 -1.08 -1.26 -4.98 116.67 113.59 2yuy s ASP 120 Ca 0.00 -0.65 -0.07 0.00 -0.52 0.00 0.00 52.55 51.32 2yuy s ASP 120 Cb 0.00 -2.03 -0.04 0.00 -1.46 0.00 0.00 42.92 39.40 2yuy s ASP 120 CO 0.00 -0.25 0.34 0.28 0.52 0.00 0.00 175.17 176.06 2yuy h SER 121 N 8.39 -0.21 -3.63 -0.34 0.02 -2.03 -3.51 113.55 112.25 2yuy h SER 121 Ca -0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2yuy h SER 121 Cb 1.14 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2yuy h SER 121 CO 0.63 0.14 -0.37 0.61 -1.14 0.00 0.00 176.83 176.70 2yuy n GLY 122 N 1.03 -4.28 3.55 -3.77 0.00 -1.26 -4.81 105.19 95.66 2yuy n GLY 122 Ca -0.03 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2yuy n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 123 N -2.28 2.97 0.00 1.61 0.04 -1.26 -4.86 135.00 131.23 2yuy s PRO 123 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2yuy s PRO 123 Cb 0.00 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2yuy s PRO 123 CO 0.00 -2.51 0.00 -1.13 0.04 0.00 0.00 177.00 173.40 2yuy n SER 124 N 11.05 0.00 -3.58 6.66 3.41 -1.26 -5.15 113.62 124.75 2yuy n SER 124 Ca 0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 2yuy n SER 124 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 2yuy n SER 124 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yuy s SER 125 N 0.00 0.56 0.00 4.04 1.04 -1.26 -5.19 113.70 112.89 2yuy s SER 125 Ca 0.00 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2yuy s SER 125 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2yuy s SER 125 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56