#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy s SER 2 N 0.00 -0.14 -0.40 1.61 1.04 -1.26 -5.13 113.70 109.41 2yuy s SER 2 Ca 0.00 0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.54 2yuy s SER 2 Cb 0.00 0.14 0.18 0.00 0.10 0.00 0.00 66.02 66.44 2yuy s SER 2 CO 0.00 -0.21 0.66 -0.44 0.98 0.00 0.00 173.24 174.22 2yuy s SER 3 N -1.93 -1.46 0.17 7.02 0.01 -1.26 -5.14 113.70 111.11 2yuy s SER 3 Ca 0.08 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2yuy s SER 3 Cb -0.01 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.09 2yuy s SER 3 CO -0.05 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2yuy n GLY 4 N 4.37 -2.08 1.87 3.44 0.00 -1.26 -5.03 105.19 106.50 2yuy n GLY 4 Ca 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.99 -0.25 -4.44 1.61 2.88 -1.26 -5.13 113.62 104.04 2yuy n SER 5 Ca -0.01 0.05 -0.37 0.00 -1.33 0.00 0.00 58.87 57.21 2yuy n SER 5 Cb 0.24 0.67 0.05 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.52 -1.44 -3.12 -3.46 7.64 -1.26 -4.72 113.62 104.73 2yuy n SER 6 Ca 0.00 0.63 -0.22 0.00 1.01 0.00 0.00 58.87 60.29 2yuy n SER 6 Cb 0.00 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 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 1.80 3.11 1.70 0.23 0.00 -1.26 -4.37 105.19 106.40 2yuy n GLY 7 Ca 0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 3.69 -2.63 3.73 -0.02 0.00 -1.26 -4.96 105.19 103.74 2yuy n GLY 8 Ca 0.45 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.45 4.54 -0.27 1.61 0.04 -1.26 -4.75 135.00 134.46 2yuy s PRO 9 Ca 0.01 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2yuy s PRO 9 Cb -0.00 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2yuy s PRO 9 CO 0.13 -0.02 0.13 -1.59 0.04 0.00 0.00 177.00 175.68 2yuy s LYS 10 N 0.00 3.72 -0.12 4.56 -2.85 -1.21 -5.02 119.74 118.83 2yuy s LYS 10 Ca 0.52 -0.46 -0.12 0.00 -1.00 0.00 0.00 55.97 54.91 2yuy s LYS 10 Cb -0.30 -3.50 -0.05 0.00 -2.06 0.00 0.00 37.83 31.93 2yuy s LYS 10 CO 0.34 -0.23 0.28 0.99 0.10 0.00 0.00 175.35 176.83 2yuy s THR 11 N 1.67 5.29 -0.09 3.79 2.01 -1.26 -1.91 115.64 125.14 2yuy s THR 11 Ca 0.06 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2yuy s THR 11 Cb -0.16 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2yuy s THR 11 CO 0.07 0.48 -0.10 0.68 -0.69 0.00 0.00 174.62 175.06 2yuy s VAL 12 N -0.20 1.08 0.09 3.82 -7.23 -0.84 -4.97 120.40 112.15 2yuy s VAL 12 Ca 0.17 -0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2yuy s VAL 12 Cb -0.13 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2yuy s VAL 12 CO 0.06 0.36 0.31 -0.89 -0.31 0.00 0.00 175.10 174.63 2yuy s THR 13 N 1.22 5.25 0.09 5.32 2.01 -1.26 0.11 115.64 128.39 2yuy s THR 13 Ca -0.04 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.94 2yuy s THR 13 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2yuy s THR 13 CO -0.03 0.13 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.19 2yuy s LEU 14 N -2.43 2.42 -0.16 4.42 1.02 0.36 -4.52 118.68 119.78 2yuy s LEU 14 Ca 0.37 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.69 2yuy s LEU 14 Cb -0.13 -0.21 0.02 0.00 0.02 0.00 0.00 46.19 45.90 2yuy s LEU 14 CO 0.24 -0.32 -0.18 -0.54 0.02 0.00 0.00 176.35 175.56 2yuy s LYS 15 N -2.95 2.77 -0.48 1.70 1.02 -1.26 0.13 119.74 120.67 2yuy s LYS 15 Ca 0.05 -0.75 -0.42 0.00 0.02 0.00 0.00 55.97 54.87 2yuy s LYS 15 Cb -0.01 -2.39 -0.18 0.00 -0.52 0.00 0.00 37.83 34.72 2yuy s LYS 15 CO -0.01 -0.18 1.96 -2.13 -0.92 0.00 0.00 175.35 174.07 2yuy n ARG 16 N 4.56 0.00 -2.47 1.68 0.63 0.11 -4.87 116.66 116.31 2yuy n ARG 16 Ca -0.20 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.49 2yuy n ARG 16 Cb 0.50 -1.43 0.10 0.00 0.45 0.00 0.00 32.46 32.08 2yuy n ARG 16 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2yuy s THR 17 N 5.29 2.21 0.17 5.15 -4.23 -1.23 -4.98 115.64 118.01 2yuy s THR 17 Ca 1.12 -0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 60.87 2yuy s THR 17 Cb -1.43 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 69.71 2yuy s THR 17 CO 0.65 0.00 1.56 -1.28 -0.54 0.00 0.00 174.62 175.01 2yuy h SER 18 N -0.58 -1.67 -3.43 3.99 0.87 -2.02 -3.39 113.55 107.31 2yuy h SER 18 Ca -0.39 0.27 -0.44 0.00 -1.23 0.00 0.00 61.79 60.00 2yuy h SER 18 Cb 1.27 0.75 -0.34 0.00 -0.44 0.00 0.00 62.40 63.65 2yuy h SER 18 CO 0.44 -0.32 -0.78 -1.58 -0.53 0.00 0.00 176.83 174.06 2yuy s GLN 19 N -5.76 1.03 5.01 2.24 2.00 -1.26 -5.08 119.66 117.84 2yuy s GLN 19 Ca -0.14 -0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.06 2yuy s GLN 19 Cb 0.13 -1.00 0.00 0.00 0.80 0.00 0.00 33.01 32.94 2yuy s GLN 19 CO 0.65 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.78 2yuy n GLY 20 N 4.09 1.89 0.64 2.59 0.00 -1.26 -4.23 105.19 108.91 2yuy n GLY 20 Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 9.54 0.00 0.00 1.61 3.72 -1.26 -3.54 117.46 127.53 2yuy n PHE 21 Ca 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2yuy n PHE 21 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 0.06 2.37 3.45 1.37 0.00 -1.26 -4.12 105.19 107.06 2yuy n GLY 22 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.46 -3.89 1.61 -1.74 -1.26 -4.16 117.46 106.56 2yuy n PHE 23 Ca 0.00 -0.21 -0.08 0.00 -0.56 0.00 0.00 57.45 56.61 2yuy n PHE 23 Cb 0.00 -1.67 -0.03 0.00 1.52 0.00 0.00 39.48 39.30 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 -2.38 0.00 0.25 1.97 -1.32 -1.14 -4.96 115.64 108.05 2yuy s THR 24 Ca 0.69 -1.10 0.11 0.00 -1.21 0.00 0.00 61.69 60.18 2yuy s THR 24 Cb -0.26 -2.07 -0.05 0.00 -1.51 0.00 0.00 72.50 68.62 2yuy s THR 24 CO 0.66 0.00 -0.20 -0.76 -2.21 0.00 0.00 174.62 172.11 2yuy s LEU 25 N -2.95 2.55 -0.02 9.08 2.01 -1.26 -1.33 118.68 126.75 2yuy s LEU 25 Ca 0.14 -0.99 -0.15 0.00 0.01 0.00 0.00 54.13 53.14 2yuy s LEU 25 Cb -0.05 -1.03 0.02 0.00 0.01 0.00 0.00 46.19 45.15 2yuy s LEU 25 CO 0.08 0.02 0.32 -0.60 1.01 0.00 0.00 176.35 177.18 2yuy s ARG 26 N -3.34 0.66 0.00 1.70 3.00 -1.23 -4.84 118.95 114.89 2yuy s ARG 26 Ca 0.26 -0.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.86 2yuy s ARG 26 Cb -0.05 0.30 0.00 0.00 0.00 0.00 0.00 34.95 35.20 2yuy s ARG 26 CO 0.12 -0.18 0.00 1.58 0.00 0.00 0.00 175.30 176.83 2yuy n HIS 27 N 1.37 0.00 -1.06 5.12 -0.00 -1.26 -4.47 115.22 114.93 2yuy n HIS 27 Ca -0.21 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.85 2yuy n HIS 27 Cb 0.56 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.52 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 -0.00 -3.69 -1.55 1.57 7.35 -1.26 -4.86 117.46 115.03 2yuy n PHE 28 Ca 0.00 -0.45 -0.00 0.00 -0.76 0.00 0.00 57.45 56.24 2yuy n PHE 28 Cb 0.00 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.38 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 -3.11 -2.36 -2.47 -2.13 5.41 -1.26 -4.95 119.36 108.49 2yuy n ILE 29 Ca 0.07 0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.44 2yuy n ILE 29 Cb 0.24 -4.12 -0.02 0.00 -0.71 0.00 0.00 39.64 35.03 2yuy n ILE 29 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2yuy s VAL 30 N -0.60 4.35 -0.02 1.39 1.01 -1.26 -4.91 120.40 120.36 2yuy s VAL 30 Ca 0.01 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.48 2yuy s VAL 30 Cb -0.00 -4.05 -0.33 0.00 0.00 0.00 0.00 36.38 32.00 2yuy s VAL 30 CO 0.03 -0.14 0.79 1.88 0.00 0.00 0.00 175.10 177.67 2yuy h TYR 31 N 8.03 0.82 -4.20 5.22 0.05 -1.99 -3.46 116.97 121.43 2yuy h TYR 31 Ca -0.26 -0.60 -0.49 0.00 0.05 0.00 0.00 58.73 57.44 2yuy h TYR 31 Cb 1.10 -0.03 0.06 0.00 1.01 0.00 0.00 36.73 38.87 2yuy h TYR 31 CO 0.79 1.63 0.38 -1.25 -1.05 0.00 0.00 178.16 178.65 2yuy s PRO 32 N -2.58 3.38 0.00 4.88 0.04 -1.26 -5.07 135.00 134.40 2yuy s PRO 32 Ca -0.13 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2yuy s PRO 32 Cb 0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2yuy s PRO 32 CO 0.89 -0.75 0.00 -0.35 0.04 0.00 0.00 177.00 176.82 2yuy n PRO 33 N -2.02 0.59 -4.59 0.56 -0.04 -1.26 -5.09 135.00 123.15 2yuy n PRO 33 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2yuy n PRO 33 Cb 0.53 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 2yuy n PRO 33 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2yuy s GLU 34 N -0.83 1.11 -1.74 0.54 1.03 -1.26 -4.72 118.70 112.84 2yuy s GLU 34 Ca 0.00 -0.46 0.00 0.00 0.03 0.00 0.00 54.97 54.54 2yuy s GLU 34 Cb 0.00 -1.06 0.00 0.00 -0.80 0.00 0.00 34.13 32.27 2yuy s GLU 34 CO 0.00 0.25 0.00 0.45 -1.33 0.00 0.00 175.26 174.63 2yuy n SER 35 N 2.87 -5.41 0.00 0.83 2.88 -1.26 -4.86 113.62 108.67 2yuy n SER 35 Ca -0.15 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2yuy n SER 35 Cb 0.55 -4.50 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 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 -0.91 1.31 -1.88 -1.46 0.00 -1.26 -4.89 120.51 111.42 2yuy n ALA 36 Ca -0.21 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2yuy n ALA 36 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 2yuy n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yuy s ILE 37 N -0.53 3.26 -0.48 0.00 1.01 -1.26 -4.70 121.20 118.50 2yuy s ILE 37 Ca 0.00 -0.02 0.23 0.00 0.00 0.00 0.00 60.65 60.86 2yuy s ILE 37 Cb 0.00 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.75 2yuy s ILE 37 CO 0.00 -0.62 1.04 0.00 0.00 0.00 0.00 174.94 175.37 2yuy n GLN 38 N 9.01 0.40 -2.92 2.79 10.64 -1.26 -4.75 117.38 131.28 2yuy n GLN 38 Ca 0.33 0.03 -0.43 0.00 -1.83 0.00 0.00 57.00 55.09 2yuy n GLN 38 Cb 0.50 -1.66 -0.04 0.00 -0.86 0.00 0.00 30.24 28.17 2yuy n GLN 38 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 2yuy s PHE 39 N -3.26 2.79 0.00 2.61 5.36 -1.26 -4.87 117.98 119.35 2yuy s PHE 39 Ca 0.02 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 2yuy s PHE 39 Cb 0.13 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 2yuy s PHE 39 CO 0.79 -1.46 0.00 0.43 -1.46 0.00 0.00 175.22 173.52 2yuy n SER 40 N 7.28 0.00 0.15 6.13 7.64 -1.26 -5.07 113.62 128.49 2yuy n SER 40 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2yuy n SER 40 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2yuy n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuy n TYR 41 N 0.00 -3.88 -3.43 1.43 4.19 -1.26 -5.12 117.16 109.09 2yuy n TYR 41 Ca 0.00 1.03 0.01 0.00 3.31 0.00 0.00 57.90 62.25 2yuy n TYR 41 Cb 0.00 2.73 -0.03 0.00 0.49 0.00 0.00 39.34 42.53 2yuy n TYR 41 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 2yuy s LYS 42 N -2.00 0.56 -0.23 2.98 2.47 -1.26 -5.13 119.74 117.13 2yuy s LYS 42 Ca 0.00 1.24 0.01 0.00 -1.56 0.00 0.00 55.97 55.66 2yuy s LYS 42 Cb 0.00 0.72 0.04 0.00 -1.46 0.00 0.00 37.83 37.13 2yuy s LYS 42 CO 0.00 -0.37 -0.13 0.34 0.16 0.00 0.00 175.35 175.35 2yuy s ASP 43 N 2.87 3.94 0.33 1.43 2.15 -1.26 -5.09 116.67 121.04 2yuy s ASP 43 Ca 0.05 -1.02 -0.24 0.00 0.43 0.00 0.00 52.55 51.77 2yuy s ASP 43 Cb -0.13 -1.55 -0.15 0.00 -0.30 0.00 0.00 42.92 40.79 2yuy s ASP 43 CO -0.20 -0.11 0.42 -0.62 -0.17 0.00 0.00 175.17 174.50 2yuy n GLU 44 N 4.55 0.25 -1.62 4.34 4.71 -1.26 -4.70 120.64 126.91 2yuy n GLU 44 Ca -0.17 0.09 -0.43 0.00 -0.01 0.00 0.00 57.16 56.64 2yuy n GLU 44 Cb 0.46 -1.19 -0.03 0.00 -1.01 0.00 0.00 31.44 29.67 2yuy n GLU 44 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2yuy s GLU 45 N -1.18 3.08 0.19 3.49 2.12 -1.26 -4.93 118.70 120.21 2yuy s GLU 45 Ca 0.62 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.92 2yuy s GLU 45 Cb -0.74 -4.38 -0.04 0.00 0.26 0.00 0.00 34.13 29.23 2yuy s GLU 45 CO 0.59 -2.16 0.07 -0.80 -0.54 0.00 0.00 175.26 172.42 2yuy s ASN 46 N 8.42 0.69 1.15 -1.70 -0.87 -1.26 -5.15 114.94 116.21 2yuy s ASN 46 Ca 1.00 -1.29 -0.18 0.00 -1.57 0.00 0.00 52.86 50.82 2yuy s ASN 46 Cb -0.32 0.24 0.16 0.00 -0.02 0.00 0.00 41.25 41.32 2yuy s ASN 46 CO 0.35 -0.72 0.24 0.61 -2.57 0.00 0.00 177.10 175.00 2yuy n GLY 47 N -0.26 -2.46 3.24 0.66 0.00 -1.26 -5.05 105.19 100.06 2yuy n GLY 47 Ca -0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.98 0.18 -0.28 1.61 0.01 -1.26 -5.17 114.94 108.05 2yuy s ASN 48 Ca 0.58 -1.02 -0.34 0.00 -0.71 0.00 0.00 52.86 51.37 2yuy s ASN 48 Cb -0.14 0.36 0.17 0.00 0.41 0.00 0.00 41.25 42.05 2yuy s ASN 48 CO 0.65 -0.81 1.36 -0.13 -1.51 0.00 0.00 177.10 176.66 2yuy s ARG 49 N -4.00 0.07 0.00 -0.60 0.52 -1.26 -5.19 118.95 108.49 2yuy s ARG 49 Ca 0.20 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2yuy s ARG 49 Cb 0.05 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.56 2yuy s ARG 49 CO 0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.71 2yuy n GLY 50 N 0.22 4.15 0.00 -3.53 0.00 -1.26 -5.15 105.19 99.63 2yuy n GLY 50 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 2.10 3.65 -0.02 0.00 -1.26 -5.17 105.19 104.49 2yuy n GLY 51 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 2yuy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 52 N -3.01 0.14 0.61 1.61 1.02 -1.26 -5.16 119.74 113.68 2yuy s LYS 52 Ca 0.00 0.22 -0.16 0.00 0.02 0.00 0.00 55.97 56.05 2yuy s LYS 52 Cb 0.00 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 2yuy s LYS 52 CO 0.00 -0.03 1.09 -0.65 -0.92 0.00 0.00 175.35 174.84 2yuy s GLN 53 N 0.89 3.14 0.01 1.68 1.11 -1.26 -4.82 119.66 120.40 2yuy s GLN 53 Ca -0.05 1.36 0.00 0.00 0.01 0.00 0.00 55.36 56.68 2yuy s GLN 53 Cb -0.03 -2.00 0.00 0.00 -1.01 0.00 0.00 33.01 29.97 2yuy s GLN 53 CO -0.12 -0.98 0.00 -2.13 0.01 0.00 0.00 175.29 172.08 2yuy n ARG 54 N -2.01 0.00 -2.70 2.91 0.63 -1.26 -5.11 116.66 109.12 2yuy n ARG 54 Ca 0.10 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.99 2yuy n ARG 54 Cb 0.52 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.40 2yuy n ARG 54 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2yuy n ASN 55 N -2.17 -2.37 -3.56 6.15 5.15 -1.26 -5.06 115.26 112.14 2yuy n ASN 55 Ca 0.00 1.29 -0.06 0.00 -0.60 0.00 0.00 54.58 55.20 2yuy n ASN 55 Cb 0.00 -4.67 -0.02 0.00 -0.53 0.00 0.00 39.78 34.56 2yuy n ASN 55 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2yuy s ARG 56 N -0.69 0.65 0.45 1.20 1.81 -1.26 -5.18 118.95 115.92 2yuy s ARG 56 Ca -0.21 -0.26 0.05 0.00 -1.72 0.00 0.00 55.73 53.59 2yuy s ARG 56 Cb 0.01 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.76 2yuy s ARG 56 CO 0.67 -0.29 0.07 -0.51 -0.68 0.00 0.00 175.30 174.56 2yuy s LEU 57 N -2.43 2.72 0.35 2.53 1.02 -1.26 -5.14 118.68 116.48 2yuy s LEU 57 Ca 0.07 -1.40 0.09 0.00 0.02 0.00 0.00 54.13 52.91 2yuy s LEU 57 Cb -0.01 -0.97 -0.06 0.00 0.02 0.00 0.00 46.19 45.18 2yuy s LEU 57 CO -0.07 -0.65 0.01 -1.61 0.02 0.00 0.00 176.35 174.05 2yuy s GLU 58 N -3.84 2.03 0.40 1.70 0.41 -1.26 -5.02 118.70 113.12 2yuy s GLU 58 Ca 0.27 -1.82 0.27 0.00 -0.41 0.00 0.00 54.97 53.27 2yuy s GLU 58 Cb 0.05 -1.87 0.88 0.00 -1.78 0.00 0.00 34.13 31.42 2yuy s GLU 58 CO 0.14 0.10 1.78 -1.00 -0.49 0.00 0.00 175.26 175.79 2yuy h PRO 59 N 1.81 0.00 -6.41 0.39 0.13 -2.00 -3.45 132.00 122.48 2yuy h PRO 59 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 2yuy h PRO 59 Cb 1.25 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.42 2yuy h PRO 59 CO 0.69 0.00 1.04 0.00 -0.23 0.00 0.00 178.00 179.50 2yuy n MET 60 N -2.79 2.43 0.00 0.86 0.00 -1.26 -4.93 117.12 111.43 2yuy n MET 60 Ca 0.03 0.88 0.00 0.00 0.00 0.00 0.00 57.70 58.61 2yuy n MET 60 Cb 0.38 -2.74 0.00 0.00 0.00 0.00 0.00 33.22 30.87 2yuy n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2yuy n ASP 61 N 5.63 0.00 -3.92 3.17 8.00 -1.26 -5.05 116.55 123.12 2yuy n ASP 61 Ca 0.20 0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 2yuy n ASP 61 Cb 0.33 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 2yuy n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2yuy s THR 62 N -0.19 0.11 -0.02 -3.53 2.01 -1.26 -5.15 115.64 107.61 2yuy s THR 62 Ca 0.00 -1.32 -0.19 0.00 0.31 0.00 0.00 61.69 60.49 2yuy s THR 62 Cb 0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2yuy s THR 62 CO 0.00 -0.49 0.56 -0.63 -0.69 0.00 0.00 174.62 173.37 2yuy s ILE 63 N -3.92 4.96 -0.05 1.82 1.09 -1.26 -5.00 121.20 118.83 2yuy s ILE 63 Ca 0.11 1.16 -0.01 0.00 -1.10 0.00 0.00 60.65 60.81 2yuy s ILE 63 Cb 0.04 -3.89 0.03 0.00 -1.06 0.00 0.00 42.46 37.58 2yuy s ILE 63 CO -0.05 0.43 0.00 -0.36 -0.10 0.00 0.00 174.94 174.85 2yuy s PHE 64 N -0.19 0.50 0.37 3.97 0.08 -1.26 -1.93 117.98 119.53 2yuy s PHE 64 Ca 0.29 -0.07 -0.25 0.00 0.12 0.00 0.00 56.93 57.02 2yuy s PHE 64 Cb -0.18 -0.64 -0.12 0.00 -0.57 0.00 0.00 43.02 41.51 2yuy s PHE 64 CO 0.16 -0.24 0.87 0.28 -0.10 0.00 0.00 175.22 176.19 2yuy n VAL 65 N 4.76 2.13 -0.08 -0.44 0.31 -0.50 -3.53 118.33 120.99 2yuy n VAL 65 Ca -0.14 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.52 2yuy n VAL 65 Cb 0.50 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.46 2yuy n VAL 65 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2yuy n LYS 66 N 0.46 0.37 -3.99 5.55 4.81 -0.45 -3.65 118.16 121.26 2yuy n LYS 66 Ca 0.10 0.15 -0.08 0.00 -0.87 0.00 0.00 58.31 57.61 2yuy n LYS 66 Cb 0.36 -1.14 -0.09 0.00 0.02 0.00 0.00 35.03 34.19 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2yuy s GLN 67 N -2.31 0.82 -0.14 1.64 -0.21 -1.26 -4.91 119.66 113.29 2yuy s GLN 67 Ca -0.23 -1.14 -0.02 0.00 0.02 0.00 0.00 55.36 53.98 2yuy s GLN 67 Cb 0.09 0.29 0.04 0.00 1.00 0.00 0.00 33.01 34.43 2yuy s GLN 67 CO 0.31 -0.23 0.01 0.08 -2.12 0.00 0.00 175.29 173.34 2yuy s VAL 68 N -3.92 0.48 -0.49 1.09 1.01 -1.26 -2.90 120.40 114.40 2yuy s VAL 68 Ca 0.10 -0.24 -0.33 0.00 0.00 0.00 0.00 61.98 61.51 2yuy s VAL 68 Cb 0.06 -0.81 -0.13 0.00 0.00 0.00 0.00 36.38 35.51 2yuy s VAL 68 CO -0.07 0.03 2.31 1.17 0.00 0.00 0.00 175.10 178.54 2yuy n LYS 69 N 5.09 0.82 -1.71 2.72 0.00 -1.26 -4.75 118.16 119.07 2yuy n LYS 69 Ca -0.08 0.17 -0.17 0.00 0.00 0.00 0.00 58.31 58.22 2yuy n LYS 69 Cb 0.49 -2.41 -0.08 0.00 0.00 0.00 0.00 35.03 33.03 2yuy n LYS 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2yuy s GLU 70 N 7.04 1.73 0.00 1.64 2.12 -1.26 0.14 118.70 130.11 2yuy s GLU 70 Ca 1.13 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 56.39 2yuy s GLU 70 Cb -0.85 -4.93 0.00 0.00 0.26 0.00 0.00 34.13 28.61 2yuy s GLU 70 CO 0.46 -4.52 0.00 0.41 -0.54 0.00 0.00 175.26 171.07 2yuy n GLY 71 N 6.54 1.53 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.37 2yuy n GLY 71 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.29 1.40 0.07 -0.02 0.00 0.12 -4.95 105.19 101.52 2yuy n GLY 72 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.14 -0.79 1.61 0.13 -1.83 -2.99 132.00 127.99 2yuy h PRO 73 Ca 0.00 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.29 2yuy h PRO 73 Cb 0.00 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.01 2yuy h PRO 73 CO 0.00 -0.09 -0.26 0.00 -0.23 0.00 0.00 178.00 177.42 2yuy h ALA 74 N -1.62 0.36 -0.66 -0.56 0.00 -1.87 0.94 119.26 115.85 2yuy h ALA 74 Ca -0.01 0.28 0.14 0.00 0.00 0.00 0.00 54.91 55.31 2yuy h ALA 74 Cb 0.11 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2yuy h ALA 74 CO 0.02 -0.49 -0.08 0.35 0.00 0.00 0.00 179.25 179.05 2yuy h PHE 75 N -0.04 -0.20 0.06 0.00 3.57 -1.74 0.51 116.94 119.11 2yuy h PHE 75 Ca 0.35 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 2yuy h PHE 75 Cb 0.59 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2yuy h PHE 75 CO -0.67 -0.24 -0.03 0.93 -2.23 0.00 0.00 178.31 176.06 2yuy h GLU 76 N 0.05 -0.08 -1.33 1.11 4.39 -0.02 -2.95 114.58 115.75 2yuy h GLU 76 Ca 0.34 0.01 0.39 0.00 0.34 0.00 0.00 59.36 60.43 2yuy h GLU 76 Cb 0.54 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 2yuy h GLU 76 CO -0.63 0.41 1.14 0.00 -1.16 0.00 0.00 179.01 178.77 2yuy h ALA 77 N 0.23 3.24 0.00 3.43 0.00 0.15 -3.42 119.26 122.89 2yuy h ALA 77 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2yuy h ALA 77 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2yuy h ALA 77 CO 0.01 -1.83 0.00 0.41 0.00 0.00 0.00 179.25 177.85 2yuy n GLY 78 N -1.78 1.40 3.81 0.00 0.00 -0.21 -4.77 105.19 103.64 2yuy n GLY 78 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 3.18 0.00 0.99 2.96 0.16 -4.99 118.68 120.98 2yuy s LEU 79 Ca 0.00 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 2yuy s LEU 79 Cb 0.00 -4.51 0.00 0.00 0.50 0.00 0.00 46.19 42.18 2yuy s LEU 79 CO 0.00 -1.50 0.00 0.00 -1.32 0.00 0.00 176.35 173.53 2yuy s THR 81 N -2.62 4.89 0.00 0.00 -4.23 -1.26 -4.31 115.64 108.11 2yuy s THR 81 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2yuy s THR 81 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2yuy s THR 81 CO 0.00 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2yuy n GLY 82 N 2.36 3.26 3.69 3.99 0.00 -1.24 -5.01 105.19 112.24 2yuy n GLY 82 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.07 6.94 0.18 1.61 1.01 -1.26 -4.72 116.67 119.35 2yuy s ASP 83 Ca 0.00 2.00 -0.06 0.00 0.71 0.00 0.00 52.55 55.20 2yuy s ASP 83 Cb 0.00 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 2yuy s ASP 83 CO 0.00 -0.65 0.44 0.00 0.21 0.00 0.00 175.17 175.17 2yuy s ARG 84 N 2.22 3.67 -0.01 8.23 1.70 -1.26 -1.40 118.95 132.09 2yuy s ARG 84 Ca 0.60 0.02 -0.21 0.00 -0.47 0.00 0.00 55.73 55.67 2yuy s ARG 84 Cb -0.29 -2.78 -0.05 0.00 -0.57 0.00 0.00 34.95 31.26 2yuy s ARG 84 CO 0.25 0.41 0.62 0.42 -1.08 0.00 0.00 175.30 175.92 2yuy s ILE 85 N -1.73 4.92 -0.04 4.99 -1.09 -0.81 -3.79 121.20 123.65 2yuy s ILE 85 Ca 0.43 1.29 0.01 0.00 -2.23 0.00 0.00 60.65 60.15 2yuy s ILE 85 Cb -0.12 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2yuy s ILE 85 CO 0.24 0.39 -0.03 2.30 -1.23 0.00 0.00 174.94 176.61 2yuy n ILE 86 N 2.91 0.23 -4.22 2.92 -5.35 0.87 -4.49 119.36 112.23 2yuy n ILE 86 Ca -0.06 -0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 2yuy n ILE 86 Cb 0.51 -0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 37.63 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 -2.08 0.99 -0.21 6.28 1.02 -1.19 -2.43 119.74 122.12 2yuy s LYS 87 Ca -0.05 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 2yuy s LYS 87 Cb 0.01 -0.48 0.10 0.00 -0.52 0.00 0.00 37.83 36.94 2yuy s LYS 87 CO 0.10 0.04 0.25 0.08 -0.92 0.00 0.00 175.35 174.90 2yuy s VAL 88 N -3.43 -0.38 -1.45 3.17 1.01 0.80 -2.51 120.40 117.61 2yuy s VAL 88 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2yuy s VAL 88 Cb 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2yuy s VAL 88 CO -0.01 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.50 2yuy n ASN 89 N 5.33 -5.43 0.00 3.32 3.02 0.16 0.17 115.26 121.82 2yuy n ASN 89 Ca -0.05 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2yuy n ASN 89 Cb 0.50 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 90 N -0.25 0.14 3.66 7.41 0.00 -1.26 -5.00 105.19 109.88 2yuy n GLY 90 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2yuy n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuy s GLU 91 N -0.91 4.23 -0.35 1.61 0.41 0.13 -5.00 118.70 118.82 2yuy s GLU 91 Ca 0.00 0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 55.22 2yuy s GLU 91 Cb 0.00 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 2yuy s GLU 91 CO 0.00 -0.41 1.42 -1.54 -0.49 0.00 0.00 175.26 174.24 2yuy s SER 92 N 1.25 6.43 0.63 -0.19 1.04 -1.26 -0.14 113.70 121.45 2yuy s SER 92 Ca 0.36 1.06 0.27 0.00 0.48 0.00 0.00 55.95 58.12 2yuy s SER 92 Cb -0.16 -2.54 1.44 0.00 0.10 0.00 0.00 66.02 64.86 2yuy s SER 92 CO 0.10 -1.31 1.83 -0.37 0.98 0.00 0.00 173.24 174.47 2yuy h VAL 93 N 6.29 0.17 -1.36 5.02 -1.51 -1.83 -3.40 116.25 119.63 2yuy h VAL 93 Ca -0.28 0.00 -0.72 0.00 -1.23 0.00 0.00 66.70 64.47 2yuy h VAL 93 Cb 1.11 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2yuy h VAL 93 CO 1.06 0.00 1.07 -0.38 -1.23 0.00 0.00 177.57 178.09 2yuy n ILE 94 N -3.26 0.28 0.00 7.19 2.08 -1.26 0.75 119.36 125.14 2yuy n ILE 94 Ca 0.04 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.24 2yuy n ILE 94 Cb 0.59 -1.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.16 2yuy n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2yuy n GLY 95 N 5.01 2.40 3.72 7.39 0.00 -1.26 -5.01 105.19 117.44 2yuy n GLY 95 Ca 0.32 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2yuy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 96 N 0.00 1.52 0.28 1.61 1.02 0.23 -5.01 119.74 119.39 2yuy s LYS 96 Ca 0.00 1.10 0.10 0.00 0.02 0.00 0.00 55.97 57.19 2yuy s LYS 96 Cb 0.00 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 2yuy s LYS 96 CO 0.00 -2.14 -0.01 -0.08 -0.92 0.00 0.00 175.35 172.20 2yuy s THR 97 N -2.84 3.23 0.11 2.17 -1.32 -1.26 -4.95 115.64 110.77 2yuy s THR 97 Ca 0.63 -1.95 -0.21 0.00 -1.21 0.00 0.00 61.69 58.95 2yuy s THR 97 Cb -0.19 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 2yuy s THR 97 CO 0.57 -0.34 1.27 0.00 -2.21 0.00 0.00 174.62 173.91 2yuy n TYR 98 N -0.90 -0.29 -0.36 9.09 9.36 -1.26 0.01 117.16 132.81 2yuy n TYR 98 Ca -0.06 0.84 -0.04 0.00 3.32 0.00 0.00 57.90 61.96 2yuy n TYR 98 Cb 0.60 -0.54 0.01 0.00 -0.63 0.00 0.00 39.34 38.77 2yuy n TYR 98 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2yuy h SER 99 N 0.00 -1.53 0.00 2.98 0.87 -1.97 1.54 113.55 115.44 2yuy h SER 99 Ca 0.11 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2yuy h SER 99 Cb 0.27 0.77 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2yuy h SER 99 CO -0.63 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 175.39 2yuy n GLN 100 N -5.43 0.00 -0.34 2.24 6.02 0.10 0.10 117.38 120.07 2yuy n GLN 100 Ca 0.08 0.70 0.22 0.00 -0.01 0.00 0.00 57.00 57.99 2yuy n GLN 100 Cb 0.37 -1.49 0.46 0.00 1.02 0.00 0.00 30.24 30.61 2yuy n GLN 100 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2yuy h VAL 101 N 0.00 0.45 0.45 5.09 -1.51 -0.25 0.31 116.25 120.79 2yuy h VAL 101 Ca 0.00 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.30 2yuy h VAL 101 Cb 0.00 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.15 2yuy h VAL 101 CO 0.00 0.08 -0.22 0.40 -1.23 0.00 0.00 177.57 176.60 2yuy h ILE 102 N 0.43 0.56 -0.75 7.19 1.08 0.33 -2.33 117.51 124.02 2yuy h ILE 102 Ca 0.66 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.24 2yuy h ILE 102 Cb 1.52 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 35.75 2yuy h ILE 102 CO -0.44 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 177.39 2yuy h ALA 103 N -0.05 1.05 -0.91 1.87 0.00 0.42 0.41 119.26 122.06 2yuy h ALA 103 Ca -0.06 0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.14 2yuy h ALA 103 Cb 0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2yuy h ALA 103 CO 0.10 -0.07 0.62 -0.07 0.00 0.00 0.00 179.25 179.83 2yuy h LEU 104 N 0.59 0.26 0.06 0.00 3.38 -0.38 1.23 115.31 120.45 2yuy h LEU 104 Ca 0.38 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.27 2yuy h LEU 104 Cb 0.45 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2yuy h LEU 104 CO -0.30 0.09 -0.47 0.40 0.09 0.00 0.00 178.44 178.25 2yuy h ILE 105 N 0.25 1.59 -0.38 1.22 2.04 0.23 0.05 117.51 122.52 2yuy h ILE 105 Ca 0.46 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2yuy h ILE 105 Cb 1.39 3.10 -0.02 0.00 -0.74 0.00 0.00 36.82 40.56 2yuy h ILE 105 CO -0.12 0.64 0.20 1.56 0.00 0.00 0.00 178.15 180.42 2yuy h GLN 106 N -0.53 0.51 -0.45 2.37 4.20 0.12 -0.44 115.11 120.88 2yuy h GLN 106 Ca -0.08 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 2yuy h GLN 106 Cb 1.31 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 2yuy h GLN 106 CO 0.09 0.39 0.04 0.09 -0.67 0.00 0.00 178.83 178.76 2yuy n ASN 107 N -4.43 4.59 0.33 1.46 3.02 0.40 -4.52 115.26 116.11 2yuy n ASN 107 Ca 0.02 -3.07 0.19 0.00 -0.03 0.00 0.00 54.58 51.69 2yuy n ASN 107 Cb 0.10 -0.63 1.01 0.00 -0.61 0.00 0.00 39.78 39.65 2yuy n ASN 107 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yuy h SER 108 N 2.63 0.00 0.00 6.41 4.64 0.79 -3.48 113.55 124.55 2yuy h SER 108 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2yuy h SER 108 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2yuy h SER 108 CO 0.41 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.70 2yuy n ASP 109 N -3.04 0.00 -0.07 4.97 2.03 -1.26 -4.12 116.55 115.05 2yuy n ASP 109 Ca -0.02 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.14 2yuy n ASP 109 Cb 0.23 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 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 -5.19 5.18 2.02 -1.96 -3.42 112.91 109.53 2yuy h THR 110 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 2yuy h THR 110 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2yuy h THR 110 CO 0.00 0.00 -0.13 0.35 0.37 0.00 0.00 175.52 176.11 2yuy n THR 111 N -5.35 0.00 -3.37 3.16 -2.24 -1.26 -0.71 114.28 104.51 2yuy n THR 111 Ca -0.05 -1.25 -0.08 0.00 -2.27 0.00 0.00 64.05 60.40 2yuy n THR 111 Cb 0.35 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 2yuy n THR 111 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2yuy s LEU 112 N 0.00 -0.70 -0.07 3.22 1.98 0.34 -4.59 118.68 118.86 2yuy s LEU 112 Ca 0.22 0.37 -0.15 0.00 -2.89 0.00 0.00 54.13 51.69 2yuy s LEU 112 Cb -0.02 1.24 -0.05 0.00 0.66 0.00 0.00 46.19 48.02 2yuy s LEU 112 CO 0.14 -0.29 0.38 -0.70 -1.89 0.00 0.00 176.35 173.99 2yuy s GLU 113 N 2.58 4.05 0.17 1.98 2.12 -1.26 0.14 118.70 128.48 2yuy s GLU 113 Ca 0.12 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.77 2yuy s GLU 113 Cb -0.15 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 2yuy s GLU 113 CO -0.16 0.48 0.04 1.28 -0.54 0.00 0.00 175.26 176.36 2yuy n LEU 114 N 2.62 0.00 -3.64 2.70 4.77 0.31 0.38 117.00 124.14 2yuy n LEU 114 Ca -0.12 -1.21 -0.05 0.00 -0.03 0.00 0.00 56.01 54.59 2yuy n LEU 114 Cb 0.52 0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2yuy n LEU 114 CO 0.39 -0.18 0.58 -0.44 -1.33 0.00 0.00 177.39 176.40 2yuy s SER 115 N -2.00 -0.64 0.00 -1.43 0.01 -1.04 -1.99 113.70 106.60 2yuy s SER 115 Ca 0.05 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2yuy s SER 115 Cb 0.00 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.46 2yuy s SER 115 CO 0.04 -0.17 0.00 1.33 0.41 0.00 0.00 173.24 174.85 2yuy n VAL 116 N 3.67 0.00 -3.42 3.43 0.24 -0.80 -0.09 118.33 121.35 2yuy n VAL 116 Ca -0.18 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.86 2yuy n VAL 116 Cb 0.58 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -0.45 0.64 1.03 7.34 -1.94 -1.25 -3.29 119.30 121.38 2yuy s MET 117 Ca 0.00 -1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 52.40 2yuy s MET 117 Cb 0.00 -1.21 0.25 0.00 2.01 0.00 0.00 34.83 35.88 2yuy s MET 117 CO 0.00 -1.25 1.14 -0.35 -0.01 0.00 0.00 175.02 174.55 2yuy n PRO 118 N 3.82 -2.09 -4.23 2.03 -0.04 -1.26 -4.85 135.00 128.39 2yuy n PRO 118 Ca 0.15 -1.79 -0.16 0.00 -0.04 0.00 0.00 63.50 61.67 2yuy n PRO 118 Cb 0.41 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2yuy n PRO 118 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yuy s LYS 119 N -5.53 0.99 -0.03 0.54 -0.14 -1.26 -5.07 119.74 109.24 2yuy s LYS 119 Ca 0.69 -1.28 -0.20 0.00 -1.36 0.00 0.00 55.97 53.82 2yuy s LYS 119 Cb -0.04 -0.74 -0.13 0.00 -1.68 0.00 0.00 37.83 35.23 2yuy s LYS 119 CO 0.50 0.13 0.86 -0.44 -0.76 0.00 0.00 175.35 175.64 2yuy h ASP 120 N 3.33 -0.35 -3.56 2.83 3.32 -1.98 -3.42 116.42 116.58 2yuy h ASP 120 Ca -0.38 -0.17 -0.67 0.00 0.02 0.00 0.00 57.03 55.83 2yuy h ASP 120 Cb 1.19 0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 2yuy h ASP 120 CO 0.55 0.12 -0.81 -0.94 -1.72 0.00 0.00 179.24 176.43 2yuy s SER 121 N -5.15 4.01 -0.36 6.45 1.04 -1.26 -5.02 113.70 113.41 2yuy s SER 121 Ca -0.11 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.19 2yuy s SER 121 Cb 0.01 -1.54 0.19 0.00 0.10 0.00 0.00 66.02 64.78 2yuy s SER 121 CO 0.40 -0.12 0.93 -0.83 0.98 0.00 0.00 173.24 174.60 2yuy s GLY 122 N 1.19 -1.52 0.00 7.32 0.00 -1.26 -5.08 107.32 107.97 2yuy s GLY 122 Ca -0.03 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.47 2yuy s GLY 122 CO -0.07 4.10 0.21 -1.55 0.00 0.00 0.00 173.10 175.79 2yuy n PRO 123 N 3.63 0.00 -2.84 2.90 -0.04 -1.26 -5.02 135.00 132.37 2yuy n PRO 123 Ca 0.09 0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.88 2yuy n PRO 123 Cb 0.61 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 2yuy n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yuy n SER 124 N -1.54 -7.17 -4.32 3.54 7.64 -1.26 -5.06 113.62 105.45 2yuy n SER 124 Ca 0.00 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.78 2yuy n SER 124 Cb 0.00 -4.84 -0.10 0.00 -1.01 0.00 0.00 64.21 58.26 2yuy n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yuy s SER 125 N -2.78 1.71 0.00 6.43 0.01 -1.26 -5.29 113.70 112.53 2yuy s SER 125 Ca 0.05 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2yuy s SER 125 Cb -0.01 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2yuy s SER 125 CO 0.67 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.40