#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 0.81 1.23 1.61 0.15 -1.26 -5.15 113.70 111.09 2yuy s SER 2 Ca 0.00 -1.05 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 2yuy s SER 2 Cb 0.00 0.82 0.31 0.00 -1.71 0.00 0.00 66.02 65.44 2yuy s SER 2 CO 0.00 -0.30 1.00 -0.24 1.20 0.00 0.00 173.24 174.90 2yuy n SER 3 N 4.75 -2.08 0.00 5.45 2.88 -1.26 -4.99 113.62 118.37 2yuy n SER 3 Ca 0.06 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 2yuy n SER 3 Cb 0.47 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2yuy n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuy n GLY 4 N 1.14 2.79 3.25 0.46 0.00 -1.26 -5.18 105.19 106.39 2yuy n GLY 4 Ca 0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy s SER 5 N 0.00 -0.19 -0.16 1.61 0.01 -1.26 -5.02 113.70 108.68 2yuy s SER 5 Ca 0.00 0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 2yuy s SER 5 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2yuy s SER 5 CO 0.00 -0.48 0.02 -1.20 0.41 0.00 0.00 173.24 171.99 2yuy n SER 6 N 1.13 -6.84 0.00 2.44 7.64 -1.26 -5.01 113.62 111.72 2yuy n SER 6 Ca -0.21 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.69 2yuy n SER 6 Cb 0.57 -3.69 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 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 1.13 -1.88 0.00 0.23 0.00 -1.26 -5.15 105.19 98.26 2yuy n GLY 7 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 -0.06 0.00 -0.02 0.00 -1.26 -5.13 105.19 98.72 2yuy n GLY 8 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2yuy n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuy n PRO 9 N 0.00 0.56 -4.07 1.61 -0.04 -1.26 -5.04 135.00 126.76 2yuy n PRO 9 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2yuy n PRO 9 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2yuy n PRO 9 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2yuy s LYS 10 N -0.87 3.84 -0.11 0.54 2.20 -0.81 -5.04 119.74 119.49 2yuy s LYS 10 Ca 0.00 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 2yuy s LYS 10 Cb 0.00 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 2yuy s LYS 10 CO 0.00 0.19 -0.18 0.99 -0.36 0.00 0.00 175.35 175.98 2yuy s THR 11 N 0.58 2.57 0.01 3.43 2.01 -1.26 -2.58 115.64 120.41 2yuy s THR 11 Ca 0.01 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2yuy s THR 11 Cb -0.13 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2yuy s THR 11 CO 0.02 0.55 -0.03 0.68 -0.69 0.00 0.00 174.62 175.14 2yuy s VAL 12 N 0.26 0.20 0.19 3.82 -7.23 -1.22 -5.04 120.40 111.38 2yuy s VAL 12 Ca -0.13 -0.43 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 2yuy s VAL 12 Cb -0.16 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2yuy s VAL 12 CO 0.07 -0.15 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.81 2yuy s THR 13 N -0.58 3.64 -0.02 5.32 2.01 -1.26 -1.15 115.64 123.60 2yuy s THR 13 Ca -0.05 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.44 2yuy s THR 13 Cb -0.04 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.65 2yuy s THR 13 CO -0.00 -0.15 0.02 -0.76 -0.69 0.00 0.00 174.62 173.04 2yuy s LEU 14 N -3.04 1.14 -0.37 4.42 1.02 -0.64 -4.45 118.68 116.76 2yuy s LEU 14 Ca 0.28 0.03 -0.15 0.00 0.02 0.00 0.00 54.13 54.30 2yuy s LEU 14 Cb -0.09 -0.09 -0.00 0.00 0.02 0.00 0.00 46.19 46.03 2yuy s LEU 14 CO 0.18 -0.12 0.36 -0.54 0.02 0.00 0.00 176.35 176.25 2yuy s LYS 15 N 1.01 3.40 -0.48 1.70 3.01 -1.26 -0.09 119.74 127.02 2yuy s LYS 15 Ca -0.09 -0.58 -0.44 0.00 -1.01 0.00 0.00 55.97 53.86 2yuy s LYS 15 Cb -0.12 -3.86 -0.18 0.00 -1.01 0.00 0.00 37.83 32.65 2yuy s LYS 15 CO -0.03 -0.60 2.04 -2.13 0.51 0.00 0.00 175.35 175.14 2yuy n ARG 16 N 5.37 0.11 0.15 1.68 0.63 0.37 -4.77 116.66 120.21 2yuy n ARG 16 Ca -0.09 0.03 0.01 0.00 -0.92 0.00 0.00 57.85 56.88 2yuy n ARG 16 Cb 0.49 -1.59 0.23 0.00 0.45 0.00 0.00 32.46 32.04 2yuy n ARG 16 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2yuy h THR 17 N 6.63 1.25 0.00 5.15 1.35 -1.86 -3.47 112.91 121.96 2yuy h THR 17 Ca -0.18 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2yuy h THR 17 Cb 1.40 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 2yuy h THR 17 CO 1.06 0.52 0.00 -0.24 -0.25 0.00 0.00 175.52 176.61 2yuy n SER 18 N -3.72 0.00 0.00 5.36 2.88 -1.26 -5.06 113.62 111.83 2yuy n SER 18 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2yuy n SER 18 Cb 0.57 0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2yuy n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n GLN 19 N -1.24 0.03 0.00 -1.46 6.02 -1.26 -5.07 117.38 114.40 2yuy n GLN 19 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2yuy n GLN 19 Cb 0.00 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 30.98 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yuy n GLY 20 N 2.97 0.70 3.54 1.08 0.00 -1.26 -4.91 105.19 107.32 2yuy n GLY 20 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2yuy n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yuy s PHE 21 N 1.17 -0.37 0.00 1.61 0.08 -1.26 -4.33 117.98 114.88 2yuy s PHE 21 Ca 0.00 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2yuy s PHE 21 Cb 0.00 0.57 0.00 0.00 -0.57 0.00 0.00 43.02 43.02 2yuy s PHE 21 CO 0.00 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.78 2yuy n GLY 22 N -0.34 -0.78 3.12 4.36 0.00 -1.26 -4.69 105.19 105.59 2yuy n GLY 22 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.39 -3.95 1.61 -1.74 -1.26 -4.25 117.46 106.48 2yuy n PHE 23 Ca 0.00 0.40 -0.09 0.00 -0.56 0.00 0.00 57.45 57.20 2yuy n PHE 23 Cb 0.00 -1.46 -0.08 0.00 1.52 0.00 0.00 39.48 39.46 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 -2.11 0.12 0.46 1.97 -1.32 -0.73 -4.88 115.64 109.15 2yuy s THR 24 Ca 0.44 -1.41 0.07 0.00 -1.21 0.00 0.00 61.69 59.58 2yuy s THR 24 Cb -0.00 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.38 2yuy s THR 24 CO 0.63 -0.56 0.35 -0.76 -2.21 0.00 0.00 174.62 172.06 2yuy s LEU 25 N -2.92 3.10 -0.03 9.08 2.01 -1.26 -0.02 118.68 128.64 2yuy s LEU 25 Ca 0.11 -0.98 0.07 0.00 0.01 0.00 0.00 54.13 53.34 2yuy s LEU 25 Cb 0.05 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.60 2yuy s LEU 25 CO -0.06 -0.78 -0.23 -0.13 1.01 0.00 0.00 176.35 176.16 2yuy s ARG 26 N -4.13 2.25 -0.30 1.70 1.81 -1.07 -4.67 118.95 114.53 2yuy s ARG 26 Ca 0.42 -0.87 -0.15 0.00 -1.72 0.00 0.00 55.73 53.41 2yuy s ARG 26 Cb -0.01 -2.14 0.18 0.00 -0.45 0.00 0.00 34.95 32.53 2yuy s ARG 26 CO 0.25 0.56 1.16 -1.58 -0.68 0.00 0.00 175.30 175.00 2yuy s HIS 27 N -0.59 -0.17 -0.01 -0.53 2.46 -1.26 -4.59 115.29 110.60 2yuy s HIS 27 Ca 0.09 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.74 2yuy s HIS 27 Cb -0.11 0.04 -0.01 0.00 -0.13 0.00 0.00 32.58 32.37 2yuy s HIS 27 CO -0.00 -0.10 -0.00 0.34 -2.47 0.00 0.00 174.74 172.51 2yuy n PHE 28 N 5.15 0.00 -0.26 3.88 7.35 -1.26 -4.73 117.46 127.59 2yuy n PHE 28 Ca 0.06 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.77 2yuy n PHE 28 Cb 0.58 -0.03 0.07 0.00 0.35 0.00 0.00 39.48 40.44 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 -2.22 -0.33 -0.80 -2.13 5.41 -1.26 -4.82 119.36 113.21 2yuy n ILE 29 Ca -0.01 1.63 0.10 0.00 1.00 0.00 0.00 62.75 65.47 2yuy n ILE 29 Cb 0.52 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 2yuy n ILE 29 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2yuy n VAL 30 N -5.10 0.00 -3.35 1.39 3.14 -1.26 -4.83 118.33 108.32 2yuy n VAL 30 Ca 0.09 0.05 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 2yuy n VAL 30 Cb 0.32 -0.31 -0.07 0.00 -1.06 0.00 0.00 33.84 32.72 2yuy n VAL 30 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2yuy s TYR 31 N -1.95 -0.48 0.79 1.45 2.02 -1.26 -4.92 117.35 113.00 2yuy s TYR 31 Ca 0.00 -0.63 -0.11 0.00 -0.37 0.00 0.00 57.07 55.96 2yuy s TYR 31 Cb 0.00 -0.33 0.06 0.00 -0.40 0.00 0.00 41.96 41.29 2yuy s TYR 31 CO 0.00 -0.99 1.09 -1.25 -1.57 0.00 0.00 175.55 172.84 2yuy s PRO 32 N 1.58 2.16 0.00 -1.71 0.04 -1.26 -4.93 135.00 130.88 2yuy s PRO 32 Ca 0.16 0.67 0.24 0.00 0.04 0.00 0.00 61.00 62.11 2yuy s PRO 32 Cb -0.14 -1.92 1.43 0.00 0.04 0.00 0.00 34.50 33.90 2yuy s PRO 32 CO -0.07 -1.58 1.80 -0.35 0.04 0.00 0.00 177.00 176.85 2yuy n PRO 33 N -3.41 0.74 0.00 0.56 -0.04 -1.26 -4.87 135.00 126.73 2yuy n PRO 33 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2yuy n PRO 33 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2yuy n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yuy n GLU 34 N -1.01 0.00 -3.90 0.54 2.13 -1.26 -4.85 120.64 112.29 2yuy n GLU 34 Ca 0.18 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.72 2yuy n GLU 34 Cb 0.08 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.63 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yuy s SER 35 N 0.00 2.86 0.00 4.31 0.15 -1.26 -5.06 113.70 114.70 2yuy s SER 35 Ca 0.00 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2yuy s SER 35 Cb 0.00 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2yuy s SER 35 CO 0.00 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.26 2yuy n ALA 36 N 4.86 0.00 1.00 5.45 0.00 -1.26 -5.01 120.51 125.55 2yuy n ALA 36 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2yuy n ALA 36 Cb 0.48 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.00 -1.48 0.00 5.41 -1.26 -4.93 119.36 117.10 2yuy n ILE 37 Ca 0.00 -0.00 -0.47 0.00 1.00 0.00 0.00 62.75 63.28 2yuy n ILE 37 Cb 0.00 0.06 -0.02 0.00 -0.71 0.00 0.00 39.64 38.97 2yuy n ILE 37 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2yuy n GLN 38 N -1.50 0.58 -1.04 0.38 -0.06 -1.26 -4.85 117.38 109.63 2yuy n GLN 38 Ca 0.06 0.20 -0.34 0.00 -2.00 0.00 0.00 57.00 54.92 2yuy n GLN 38 Cb 0.34 -1.37 0.11 0.00 -4.06 0.00 0.00 30.24 25.26 2yuy n GLN 38 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2yuy n PHE 39 N 0.13 -0.09 -0.55 3.69 3.72 -1.26 -4.94 117.46 118.15 2yuy n PHE 39 Ca 0.14 0.34 -0.24 0.00 -0.05 0.00 0.00 57.45 57.64 2yuy n PHE 39 Cb 0.28 -1.96 0.17 0.00 -0.94 0.00 0.00 39.48 37.03 2yuy n PHE 39 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2yuy n SER 40 N -1.93 -2.90 -1.95 4.37 7.64 -1.26 -4.77 113.62 112.82 2yuy n SER 40 Ca 0.11 -0.34 -0.14 0.00 1.01 0.00 0.00 58.87 59.51 2yuy n SER 40 Cb 0.51 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 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 -4.54 0.89 -3.75 1.43 4.11 -1.26 -4.73 117.16 109.31 2yuy n TYR 41 Ca 0.05 -1.64 -0.36 0.00 -0.00 0.00 0.00 57.90 55.95 2yuy n TYR 41 Cb 0.47 -1.06 -0.10 0.00 -0.00 0.00 0.00 39.34 38.65 2yuy n TYR 41 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2yuy s LYS 42 N -0.83 2.41 0.35 -3.48 -0.14 -1.26 -4.71 119.74 112.09 2yuy s LYS 42 Ca 0.36 -2.43 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 2yuy s LYS 42 Cb 0.23 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 2yuy s LYS 42 CO -0.05 -1.15 0.00 -3.47 -0.76 0.00 0.00 175.35 169.92 2yuy n ASP 43 N 3.63 -2.71 -4.05 2.83 -0.08 -1.26 -5.15 116.55 109.75 2yuy n ASP 43 Ca 0.06 0.66 -0.09 0.00 -1.51 0.00 0.00 54.79 53.92 2yuy n ASP 43 Cb 0.38 2.64 -0.09 0.00 2.34 0.00 0.00 41.12 46.38 2yuy n ASP 43 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2yuy s GLU 44 N -2.00 0.84 -0.44 -0.67 2.02 -1.26 -5.12 118.70 112.07 2yuy s GLU 44 Ca 0.00 -1.25 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 2yuy s GLU 44 Cb 0.00 0.27 0.10 0.00 0.10 0.00 0.00 34.13 34.60 2yuy s GLU 44 CO 0.00 -0.23 0.28 -2.00 0.02 0.00 0.00 175.26 173.33 2yuy s GLU 45 N -3.96 2.48 -0.12 1.61 2.56 -1.26 -5.03 118.70 114.97 2yuy s GLU 45 Ca 0.14 -1.62 -0.30 0.00 0.00 0.00 0.00 54.97 53.19 2yuy s GLU 45 Cb 0.07 -3.80 0.09 0.00 2.00 0.00 0.00 34.13 32.49 2yuy s GLU 45 CO -0.05 -1.06 0.82 -0.80 -0.56 0.00 0.00 175.26 173.61 2yuy s ASN 46 N 2.29 -0.55 0.00 -1.70 0.01 -1.26 -5.16 114.94 108.57 2yuy s ASN 46 Ca 0.04 0.68 0.00 0.00 -0.71 0.00 0.00 52.86 52.88 2yuy s ASN 46 Cb -0.24 0.56 0.00 0.00 0.41 0.00 0.00 41.25 41.98 2yuy s ASN 46 CO 0.00 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 175.75 2yuy n GLY 47 N 1.09 2.13 1.13 0.66 0.00 -1.26 -5.10 105.19 103.84 2yuy n GLY 47 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2yuy n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yuy n ASN 48 N 0.00 0.94 -3.64 1.61 3.02 -1.26 -5.11 115.26 110.82 2yuy n ASN 48 Ca 0.00 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.64 2yuy n ASN 48 Cb 0.00 -0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 2yuy n ASN 48 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2yuy s ARG 49 N -2.00 0.49 0.00 3.52 0.52 -1.26 -5.12 118.95 115.10 2yuy s ARG 49 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 2yuy s ARG 49 Cb 0.00 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.66 2yuy s ARG 49 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2yuy n GLY 50 N 2.86 1.14 0.00 -3.53 0.00 -1.26 -5.15 105.19 99.25 2yuy n GLY 50 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 2.66 3.10 -0.02 0.00 -1.26 -5.16 105.19 104.52 2yuy n GLY 51 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.09 0.01 0.07 1.61 1.02 -1.26 -5.06 119.74 114.05 2yuy s LYS 52 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.00 2yuy s LYS 52 Cb 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 2yuy s LYS 52 CO 0.00 -0.02 0.00 1.04 -0.92 0.00 0.00 175.35 175.45 2yuy n GLN 53 N 4.87 0.00 -2.26 1.68 6.02 -1.26 -5.15 117.38 121.28 2yuy n GLN 53 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.82 2yuy n GLN 53 Cb 0.59 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.90 2yuy n GLN 53 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2yuy s ARG 54 N -1.86 2.68 -0.02 -1.09 0.52 -1.26 -5.10 118.95 112.82 2yuy s ARG 54 Ca 0.00 -0.01 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 2yuy s ARG 54 Cb 0.00 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.29 2yuy s ARG 54 CO 0.00 -0.92 0.31 1.21 0.02 0.00 0.00 175.30 175.92 2yuy s ASN 55 N -4.38 -0.20 0.10 0.23 3.84 -1.26 -5.17 114.94 108.10 2yuy s ASN 55 Ca 0.56 0.11 -0.09 0.00 0.21 0.00 0.00 52.86 53.66 2yuy s ASN 55 Cb -0.11 0.33 -0.00 0.00 -0.55 0.00 0.00 41.25 40.92 2yuy s ASN 55 CO 0.46 -0.43 0.20 -0.60 -2.79 0.00 0.00 177.10 173.94 2yuy s ARG 56 N -1.26 0.89 -1.36 0.43 6.06 -1.26 -5.07 118.95 117.38 2yuy s ARG 56 Ca -0.13 -1.00 -0.16 0.00 -2.50 0.00 0.00 55.73 51.94 2yuy s ARG 56 Cb -0.05 0.35 0.06 0.00 0.06 0.00 0.00 34.95 35.37 2yuy s ARG 56 CO 0.04 -0.29 1.92 1.28 -2.50 0.00 0.00 175.30 175.75 2yuy n LEU 57 N -0.08 5.70 -4.91 -0.88 7.99 -1.26 -4.95 117.00 118.61 2yuy n LEU 57 Ca -0.14 -4.03 -0.27 0.00 -0.01 0.00 0.00 56.01 51.56 2yuy n LEU 57 Cb 0.62 -1.71 -0.02 0.00 -0.11 0.00 0.00 43.42 42.21 2yuy n LEU 57 CO 0.23 0.55 0.29 -1.61 -1.51 0.00 0.00 177.39 175.33 2yuy s GLU 58 N 3.73 3.60 0.00 3.23 2.02 -1.26 -5.10 118.70 124.91 2yuy s GLU 58 Ca 0.51 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2yuy s GLU 58 Cb 0.08 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.76 2yuy s GLU 58 CO 0.01 0.06 0.00 -0.35 0.02 0.00 0.00 175.26 175.00 2yuy n PRO 59 N -1.50 0.84 -4.30 0.39 -0.04 -1.26 -5.11 135.00 124.01 2yuy n PRO 59 Ca -0.01 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 2yuy n PRO 59 Cb 0.55 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2yuy s MET 60 N -0.33 1.73 -0.30 0.54 -1.94 -1.26 -5.12 119.30 112.61 2yuy s MET 60 Ca 0.00 -2.00 -0.13 0.00 -1.71 0.00 0.00 55.69 51.84 2yuy s MET 60 Cb 0.00 0.24 0.19 0.00 2.01 0.00 0.00 34.83 37.26 2yuy s MET 60 CO 0.00 -0.61 1.12 0.34 -0.01 0.00 0.00 175.02 175.86 2yuy s ASP 61 N -3.38 -0.15 1.08 3.03 2.15 -1.26 -4.99 116.67 113.15 2yuy s ASP 61 Ca 0.39 -0.03 -0.15 0.00 0.43 0.00 0.00 52.55 53.19 2yuy s ASP 61 Cb 0.03 0.64 0.14 0.00 -0.30 0.00 0.00 42.92 43.43 2yuy s ASP 61 CO 0.25 -0.02 0.47 0.41 -0.17 0.00 0.00 175.17 176.11 2yuy n THR 62 N 4.30 0.00 -3.00 1.71 -1.04 -1.26 -4.79 114.28 110.20 2yuy n THR 62 Ca 0.08 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 2yuy n THR 62 Cb 0.61 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 2yuy n THR 62 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2yuy s ILE 63 N -2.36 4.63 -0.09 12.58 1.09 -1.26 -4.89 121.20 130.90 2yuy s ILE 63 Ca 0.61 -0.21 0.04 0.00 -1.10 0.00 0.00 60.65 59.98 2yuy s ILE 63 Cb -0.19 -4.44 0.00 0.00 -1.06 0.00 0.00 42.46 36.77 2yuy s ILE 63 CO 0.65 -1.01 -0.22 -0.36 -0.10 0.00 0.00 174.94 173.91 2yuy s PHE 64 N 3.29 2.32 0.52 3.97 0.40 -1.26 0.46 117.98 127.68 2yuy s PHE 64 Ca 0.21 -0.92 -0.21 0.00 -0.60 0.00 0.00 56.93 55.42 2yuy s PHE 64 Cb -0.17 -1.57 -0.08 0.00 0.51 0.00 0.00 43.02 41.71 2yuy s PHE 64 CO 0.14 -0.37 0.81 0.28 0.70 0.00 0.00 175.22 176.78 2yuy n VAL 65 N 3.53 2.70 -0.02 -0.44 0.31 -0.62 -2.61 118.33 121.18 2yuy n VAL 65 Ca -0.20 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.60 2yuy n VAL 65 Cb 0.53 -0.96 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.21 0.07 -4.12 5.55 4.81 0.97 -4.10 118.16 121.13 2yuy n LYS 66 Ca 0.12 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 2yuy n LYS 66 Cb 0.44 -0.66 -0.09 0.00 0.02 0.00 0.00 35.03 34.74 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 -2.06 1.10 -0.12 1.64 1.03 -1.22 -4.96 119.66 115.06 2yuy s GLN 67 Ca -0.05 -1.45 -0.03 0.00 0.04 0.00 0.00 55.36 53.88 2yuy s GLN 67 Cb 0.02 0.29 0.05 0.00 0.03 0.00 0.00 33.01 33.39 2yuy s GLN 67 CO 0.06 -0.36 0.05 0.08 -2.54 0.00 0.00 175.29 172.58 2yuy s VAL 68 N -4.07 0.18 -0.11 3.63 1.01 -1.26 -1.78 120.40 118.00 2yuy s VAL 68 Ca 0.28 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 2yuy s VAL 68 Cb 0.06 -0.59 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 2yuy s VAL 68 CO 0.05 -0.02 2.05 1.17 0.00 0.00 0.00 175.10 178.35 2yuy n LYS 69 N 5.19 2.25 -2.02 2.72 3.00 -1.26 -4.83 118.16 123.21 2yuy n LYS 69 Ca -0.07 0.76 -0.29 0.00 -0.00 0.00 0.00 58.31 58.71 2yuy n LYS 69 Cb 0.49 -2.94 -0.05 0.00 0.00 0.00 0.00 35.03 32.53 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 5.14 2.53 0.00 1.64 2.12 -1.26 -1.31 118.70 127.55 2yuy s GLU 70 Ca 0.96 0.01 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2yuy s GLU 70 Cb -0.51 -4.87 0.00 0.00 0.26 0.00 0.00 34.13 29.02 2yuy s GLU 70 CO 0.43 -3.25 0.00 0.41 -0.54 0.00 0.00 175.26 172.31 2yuy n GLY 71 N 6.53 1.59 0.00 -1.50 0.00 -1.26 -5.13 105.19 105.43 2yuy n GLY 71 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.76 2.12 0.15 -0.02 0.00 -0.43 -4.97 105.19 101.29 2yuy n GLY 72 Ca 0.00 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.26 -0.62 1.61 0.13 -1.87 -2.85 132.00 128.15 2yuy h PRO 73 Ca 0.00 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 2yuy h PRO 73 Cb 0.00 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.09 2yuy h PRO 73 CO 0.00 -0.01 0.07 0.00 -0.23 0.00 0.00 178.00 177.83 2yuy h ALA 74 N -0.80 0.69 -0.60 -0.56 0.00 -1.89 1.30 119.26 117.39 2yuy h ALA 74 Ca -0.03 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2yuy h ALA 74 Cb 0.37 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2yuy h ALA 74 CO 0.05 -0.36 0.18 0.35 0.00 0.00 0.00 179.25 179.47 2yuy h PHE 75 N 0.19 0.30 0.01 0.00 3.57 -1.74 0.44 116.94 119.70 2yuy h PHE 75 Ca 0.33 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 2yuy h PHE 75 Cb 0.53 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2yuy h PHE 75 CO -0.31 0.03 -0.00 0.93 -2.23 0.00 0.00 178.31 176.73 2yuy h GLU 76 N 0.33 -0.01 -0.92 1.11 4.39 -0.65 -3.04 114.58 115.79 2yuy h GLU 76 Ca 0.31 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.28 2yuy h GLU 76 Cb 0.42 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2yuy h GLU 76 CO -0.35 0.64 0.93 0.00 -1.16 0.00 0.00 179.01 179.07 2yuy h ALA 77 N 0.31 2.77 0.00 3.43 0.00 0.20 -3.43 119.26 122.55 2yuy h ALA 77 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2yuy h ALA 77 Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yuy h ALA 77 CO 0.00 -1.40 0.00 0.41 0.00 0.00 0.00 179.25 178.26 2yuy n GLY 78 N -1.66 1.24 3.87 0.00 0.00 -0.41 -4.79 105.19 103.43 2yuy n GLY 78 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 2.98 0.00 0.99 2.96 0.14 -5.01 118.68 120.74 2yuy s LEU 79 Ca 0.00 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.17 2yuy s LEU 79 Cb 0.00 -4.12 0.00 0.00 0.50 0.00 0.00 46.19 42.57 2yuy s LEU 79 CO 0.00 -1.28 0.00 0.00 -1.32 0.00 0.00 176.35 173.75 2yuy s THR 81 N -2.08 4.49 0.00 0.00 2.01 -1.26 -4.39 115.64 114.41 2yuy s THR 81 Ca 0.00 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2yuy s THR 81 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2yuy s THR 81 CO 0.00 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 2yuy n GLY 82 N -1.28 2.20 3.65 4.40 0.00 -1.26 -4.99 105.19 107.92 2yuy n GLY 82 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.59 6.78 0.17 1.61 1.01 -1.26 -4.84 116.67 116.56 2yuy s ASP 83 Ca 0.00 0.96 -0.06 0.00 0.71 0.00 0.00 52.55 54.16 2yuy s ASP 83 Cb 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 2yuy s ASP 83 CO 0.00 -0.40 0.43 0.00 0.21 0.00 0.00 175.17 175.41 2yuy s ARG 84 N 2.38 3.67 0.06 8.23 1.70 -1.26 -1.59 118.95 132.15 2yuy s ARG 84 Ca 0.33 0.02 -0.17 0.00 -0.47 0.00 0.00 55.73 55.44 2yuy s ARG 84 Cb -0.16 -2.78 -0.06 0.00 -0.57 0.00 0.00 34.95 31.38 2yuy s ARG 84 CO 0.09 0.41 0.51 0.42 -1.08 0.00 0.00 175.30 175.66 2yuy s ILE 85 N -1.72 4.86 0.00 4.99 -1.09 0.17 -4.26 121.20 124.16 2yuy s ILE 85 Ca 0.43 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2yuy s ILE 85 Cb -0.12 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2yuy s ILE 85 CO 0.24 0.50 0.00 2.30 -1.23 0.00 0.00 174.94 176.75 2yuy n ILE 86 N 1.57 0.00 -4.39 2.92 -5.35 -0.42 -4.52 119.36 109.17 2yuy n ILE 86 Ca -0.11 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.17 2yuy n ILE 86 Cb 0.51 -0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 37.71 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 -1.93 1.44 -0.19 6.28 1.02 -1.21 -1.68 119.74 123.47 2yuy s LYS 87 Ca 0.00 -1.67 -0.06 0.00 0.02 0.00 0.00 55.97 54.26 2yuy s LYS 87 Cb 0.00 -1.21 0.09 0.00 -0.52 0.00 0.00 37.83 36.19 2yuy s LYS 87 CO 0.00 0.16 0.37 0.08 -0.92 0.00 0.00 175.35 175.04 2yuy s VAL 88 N -2.93 -0.59 -0.80 3.17 1.01 -1.26 -2.83 120.40 116.18 2yuy s VAL 88 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2yuy s VAL 88 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2yuy s VAL 88 CO 0.09 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.83 2yuy n ASN 89 N 5.38 -2.91 -2.07 3.32 3.02 -0.67 0.18 115.26 121.51 2yuy n ASN 89 Ca -0.07 0.27 -0.16 0.00 -0.03 0.00 0.00 54.58 54.59 2yuy n ASN 89 Cb 0.50 -2.59 0.01 0.00 -0.61 0.00 0.00 39.78 37.09 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 -0.59 -0.23 0.16 7.41 0.00 -1.26 -4.88 105.19 105.80 2yuy n GLY 90 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.89 2.32 -1.48 1.61 0.00 0.47 -5.10 120.64 115.57 2yuy n GLU 91 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 57.16 56.66 2yuy n GLU 91 Cb 0.61 -1.14 0.00 0.00 0.00 0.00 0.00 31.44 30.90 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 -0.71 -8.04 -0.05 4.31 7.64 -1.25 -4.86 113.62 110.66 2yuy n SER 92 Ca 0.04 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.35 2yuy n SER 92 Cb 0.24 -4.56 -0.16 0.00 -1.01 0.00 0.00 64.21 58.72 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 -1.61 0.69 -1.68 0.44 0.24 -0.68 -4.67 118.33 111.06 2yuy n VAL 93 Ca 0.00 -0.67 -0.52 0.00 -2.04 0.00 0.00 64.34 61.11 2yuy n VAL 93 Cb 0.20 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2yuy n ILE 94 N -2.49 0.34 0.00 1.34 -0.00 -1.26 0.71 119.36 118.00 2yuy n ILE 94 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 2yuy n ILE 94 Cb 0.86 -1.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 2yuy n ILE 94 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2yuy n GLY 95 N 3.99 3.34 3.86 7.39 0.00 -1.26 -5.05 105.19 117.45 2yuy n GLY 95 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.68 3.78 -0.71 1.61 1.02 0.22 -5.01 119.74 119.97 2yuy s LYS 96 Ca 0.00 0.77 0.03 0.00 0.02 0.00 0.00 55.97 56.79 2yuy s LYS 96 Cb 0.00 -2.17 0.32 0.00 -0.52 0.00 0.00 37.83 35.46 2yuy s LYS 96 CO 0.00 -0.34 1.12 -2.37 -0.92 0.00 0.00 175.35 172.84 2yuy n THR 97 N -2.00 3.71 0.00 2.17 5.66 -1.26 -4.97 114.28 117.58 2yuy n THR 97 Ca 0.05 -5.63 0.00 0.00 -3.05 0.00 0.00 64.05 55.43 2yuy n THR 97 Cb 0.54 -1.59 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 2yuy n THR 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yuy n TYR 98 N 0.08 0.00 -0.42 1.09 9.36 -1.26 -3.36 117.16 122.65 2yuy n TYR 98 Ca 0.34 0.00 0.34 0.00 3.32 0.00 0.00 57.90 61.90 2yuy n TYR 98 Cb 0.36 0.00 0.56 0.00 -0.63 0.00 0.00 39.34 39.64 2yuy n TYR 98 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2yuy n SER 99 N 1.38 0.13 0.32 2.98 7.64 -1.26 0.18 113.62 124.98 2yuy n SER 99 Ca 0.00 1.02 -0.16 0.00 1.01 0.00 0.00 58.87 60.74 2yuy n SER 99 Cb 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 2yuy n SER 99 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2yuy h GLN 100 N 0.00 -0.79 -0.11 1.43 4.20 -1.93 -2.16 115.11 115.75 2yuy h GLN 100 Ca 0.71 0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.43 2yuy h GLN 100 Cb 2.41 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 30.37 2yuy h GLN 100 CO -0.28 -0.48 -0.10 -0.39 -0.67 0.00 0.00 178.83 176.92 2yuy h VAL 101 N -1.01 1.13 -0.27 -0.54 -1.51 0.15 -2.37 116.25 111.84 2yuy h VAL 101 Ca -0.08 -0.59 0.05 0.00 -1.23 0.00 0.00 66.70 64.85 2yuy h VAL 101 Cb 0.68 1.16 -0.05 0.00 -2.13 0.00 0.00 31.29 30.95 2yuy h VAL 101 CO 0.14 0.18 -0.06 0.40 -1.23 0.00 0.00 177.57 177.00 2yuy h ILE 102 N 0.16 0.74 -0.61 7.19 1.08 0.01 -0.86 117.51 125.22 2yuy h ILE 102 Ca 0.03 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 2yuy h ILE 102 Cb 0.27 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 2yuy h ILE 102 CO 0.02 0.00 0.31 0.00 -0.69 0.00 0.00 178.15 177.78 2yuy h ALA 103 N 1.26 0.80 -0.83 1.87 0.00 -0.86 0.11 119.26 121.62 2yuy h ALA 103 Ca 0.13 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2yuy h ALA 103 Cb 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 2yuy h ALA 103 CO -0.27 -0.05 0.41 -0.07 0.00 0.00 0.00 179.25 179.27 2yuy h LEU 104 N 0.57 0.48 -0.26 0.00 3.38 -1.04 1.55 115.31 119.99 2yuy h LEU 104 Ca 0.28 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 2yuy h LEU 104 Cb 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2yuy h LEU 104 CO -0.20 0.20 -0.05 0.40 0.09 0.00 0.00 178.44 178.87 2yuy h ILE 105 N 0.59 1.28 -0.01 1.22 2.04 0.11 1.35 117.51 124.09 2yuy h ILE 105 Ca 0.45 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2yuy h ILE 105 Cb 0.64 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2yuy h ILE 105 CO -0.37 0.33 -0.24 1.56 0.00 0.00 0.00 178.15 179.43 2yuy h GLN 106 N 0.24 0.02 -0.29 2.37 4.20 0.12 -2.12 115.11 119.65 2yuy h GLN 106 Ca 0.07 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2yuy h GLN 106 Cb 0.51 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 2yuy h GLN 106 CO 0.02 0.27 -0.11 0.09 -0.67 0.00 0.00 178.83 178.43 2yuy n ASN 107 N -4.24 2.55 0.00 1.46 3.02 0.51 -4.57 115.26 113.99 2yuy n ASN 107 Ca -0.02 -3.67 0.14 0.00 -0.03 0.00 0.00 54.58 50.99 2yuy n ASN 107 Cb 0.30 -0.61 0.81 0.00 -0.61 0.00 0.00 39.78 39.67 2yuy n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2yuy n SER 108 N -1.07 0.00 0.00 6.41 7.64 0.46 -4.89 113.62 122.18 2yuy n SER 108 Ca 0.30 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2yuy n SER 108 Cb 0.97 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuy n ASP 109 N -1.00 0.00 -0.45 6.43 2.03 -1.26 -4.07 116.55 118.22 2yuy n ASP 109 Ca 0.20 0.00 0.38 0.00 0.52 0.00 0.00 54.79 55.89 2yuy n ASP 109 Cb 0.10 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.15 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 0.06 -0.57 5.18 2.02 -1.95 -3.40 112.91 114.25 2yuy h THR 110 Ca 0.00 -0.02 -0.64 0.00 0.77 0.00 0.00 66.41 66.53 2yuy h THR 110 Cb 0.00 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.32 2yuy h THR 110 CO 0.00 0.01 -0.45 0.42 0.37 0.00 0.00 175.52 175.87 2yuy s THR 111 N -5.31 1.44 -0.27 3.16 -4.23 -1.26 0.14 115.64 109.31 2yuy s THR 111 Ca -0.08 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 2yuy s THR 111 Cb 0.31 -2.25 0.16 0.00 1.34 0.00 0.00 72.50 72.05 2yuy s THR 111 CO 0.82 0.00 0.52 -0.22 -0.54 0.00 0.00 174.62 175.20 2yuy s LEU 112 N -4.00 -1.06 -0.13 4.79 1.98 0.87 -4.46 118.68 116.68 2yuy s LEU 112 Ca 0.18 0.75 -0.20 0.00 -2.89 0.00 0.00 54.13 51.98 2yuy s LEU 112 Cb 0.01 1.77 -0.04 0.00 0.66 0.00 0.00 46.19 48.59 2yuy s LEU 112 CO 0.11 -0.27 0.55 -0.70 -1.89 0.00 0.00 176.35 174.15 2yuy s GLU 113 N 2.74 4.33 0.45 1.98 2.12 -1.26 -1.62 118.70 127.44 2yuy s GLU 113 Ca 0.13 0.56 0.07 0.00 0.36 0.00 0.00 54.97 56.10 2yuy s GLU 113 Cb -0.15 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 2yuy s GLU 113 CO -0.18 0.05 0.37 -0.51 -0.54 0.00 0.00 175.26 174.45 2yuy s LEU 114 N 0.94 3.20 -0.19 2.70 1.43 -0.30 -1.67 118.68 124.78 2yuy s LEU 114 Ca 0.29 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 2yuy s LEU 114 Cb -0.16 -1.77 0.09 0.00 0.03 0.00 0.00 46.19 44.39 2yuy s LEU 114 CO 0.12 -0.76 0.35 -0.44 0.23 0.00 0.00 176.35 175.85 2yuy s SER 115 N -4.15 0.13 0.36 2.29 0.01 -1.13 -3.41 113.70 107.81 2yuy s SER 115 Ca 0.45 0.64 0.03 0.00 1.31 0.00 0.00 55.95 58.38 2yuy s SER 115 Cb -0.02 1.04 -0.04 0.00 0.21 0.00 0.00 66.02 67.21 2yuy s SER 115 CO 0.26 -0.25 0.11 0.68 0.41 0.00 0.00 173.24 174.45 2yuy s VAL 116 N 2.52 0.70 -0.32 3.43 -7.23 -1.06 -1.30 120.40 117.14 2yuy s VAL 116 Ca 0.03 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.37 2yuy s VAL 116 Cb -0.13 -2.51 0.46 0.00 0.56 0.00 0.00 36.38 34.76 2yuy s VAL 116 CO -0.12 0.00 0.99 1.15 -0.31 0.00 0.00 175.10 176.82 2yuy n MET 117 N -0.76 1.19 -1.56 4.82 0.00 -1.26 -1.92 117.12 117.62 2yuy n MET 117 Ca -0.03 -3.15 -0.31 0.00 0.00 0.00 0.00 57.70 54.21 2yuy n MET 117 Cb 0.65 -1.17 0.05 0.00 0.00 0.00 0.00 33.22 32.76 2yuy n MET 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2yuy s PRO 118 N -2.91 2.89 -0.12 3.17 0.04 -1.26 -5.00 135.00 131.82 2yuy s PRO 118 Ca 0.27 0.95 0.22 0.00 0.04 0.00 0.00 61.00 62.47 2yuy s PRO 118 Cb 0.45 -1.99 0.45 0.00 0.04 0.00 0.00 34.50 33.45 2yuy s PRO 118 CO 0.02 -1.13 1.16 1.63 0.04 0.00 0.00 177.00 178.72 2yuy n LYS 119 N -3.15 0.91 -2.79 4.56 4.76 -1.26 -5.00 118.16 116.18 2yuy n LYS 119 Ca 0.08 -2.72 -0.43 0.00 -2.87 0.00 0.00 58.31 52.36 2yuy n LYS 119 Cb 0.54 -0.79 -0.04 0.00 -1.84 0.00 0.00 35.03 32.89 2yuy n LYS 119 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yuy s ASP 120 N -2.77 6.36 -0.11 4.39 1.01 -1.26 -4.88 116.67 119.41 2yuy s ASP 120 Ca 0.33 -0.27 -0.27 0.00 0.71 0.00 0.00 52.55 53.05 2yuy s ASP 120 Cb 0.37 -2.46 -0.27 0.00 1.01 0.00 0.00 42.92 41.57 2yuy s ASP 120 CO -0.11 -1.28 0.82 0.28 0.21 0.00 0.00 175.17 175.09 2yuy h SER 121 N 9.36 0.11 -4.07 0.27 0.02 -2.06 -3.51 113.55 113.67 2yuy h SER 121 Ca -0.26 -0.97 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 2yuy h SER 121 Cb 1.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2yuy h SER 121 CO 1.11 1.07 0.00 0.61 -1.14 0.00 0.00 176.83 178.48 2yuy n GLY 122 N 1.57 -1.42 0.12 -3.77 0.00 -1.26 -4.73 105.19 95.70 2yuy n GLY 122 Ca -0.11 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2yuy n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 123 N 0.00 -0.18 0.00 1.61 0.13 -2.05 -3.46 132.00 128.05 2yuy h PRO 123 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2yuy h PRO 123 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2yuy h PRO 123 CO 0.00 0.22 0.00 0.45 -0.23 0.00 0.00 178.00 178.44 2yuy n SER 124 N -4.88 0.00 -3.77 1.44 2.88 -1.26 -4.65 113.62 103.38 2yuy n SER 124 Ca -0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 2yuy n SER 124 Cb 0.24 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 2yuy n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yuy s SER 125 N 0.00 -0.24 0.00 -3.46 0.15 -1.26 -5.33 113.70 103.56 2yuy s SER 125 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2yuy s SER 125 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2yuy s SER 125 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78