#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 0.83 -2.31 1.61 2.88 -1.26 -5.13 113.62 110.25 2yuy n SER 2 Ca 0.00 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2yuy n SER 2 Cb 0.00 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.24 2yuy n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuy n SER 3 N -3.44 -6.80 0.00 -3.46 7.64 -1.26 -5.08 113.62 101.22 2yuy n SER 3 Ca 0.00 1.60 0.00 0.00 1.01 0.00 0.00 58.87 61.48 2yuy n SER 3 Cb 0.04 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.35 2yuy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 4 N 1.66 0.34 2.80 0.23 0.00 -1.26 -5.14 105.19 103.82 2yuy n GLY 4 Ca -0.10 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuy s SER 5 N 0.00 -0.63 -0.22 1.61 0.15 -1.26 -5.16 113.70 108.19 2yuy s SER 5 Ca 0.00 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 2yuy s SER 5 Cb 0.00 0.81 0.16 0.00 -1.71 0.00 0.00 66.02 65.28 2yuy s SER 5 CO 0.00 -0.05 1.20 -0.55 1.20 0.00 0.00 173.24 175.04 2yuy s SER 6 N 1.50 -0.18 0.00 5.45 0.15 -1.26 -5.17 113.70 114.18 2yuy s SER 6 Ca 0.20 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2yuy s SER 6 Cb 0.05 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2yuy s SER 6 CO -0.11 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2yuy n GLY 7 N 0.52 -2.74 0.00 9.45 0.00 -1.26 -5.05 105.19 106.10 2yuy n GLY 7 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.10 -0.65 3.78 -0.02 0.00 -1.26 -5.15 105.19 102.99 2yuy n GLY 8 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.84 0.78 0.10 1.61 0.04 -1.26 -5.03 135.00 130.40 2yuy s PRO 9 Ca 0.00 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.96 2yuy s PRO 9 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2yuy s PRO 9 CO 0.00 -2.42 0.69 0.21 0.04 0.00 0.00 177.00 175.52 2yuy s LYS 10 N -5.38 4.41 -0.02 4.56 2.20 -1.08 -5.02 119.74 119.41 2yuy s LYS 10 Ca 0.66 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 57.28 2yuy s LYS 10 Cb -0.13 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2yuy s LYS 10 CO 0.54 0.54 -0.15 0.99 -0.36 0.00 0.00 175.35 176.91 2yuy s THR 11 N -0.91 1.18 -0.04 3.43 2.01 -1.26 -2.50 115.64 117.55 2yuy s THR 11 Ca 0.33 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 2yuy s THR 11 Cb -0.21 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.34 2yuy s THR 11 CO 0.22 0.34 0.10 0.68 -0.69 0.00 0.00 174.62 175.27 2yuy s VAL 12 N -0.28 -0.03 0.05 3.82 -7.23 -0.54 -5.00 120.40 111.20 2yuy s VAL 12 Ca 0.04 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.34 2yuy s VAL 12 Cb -0.06 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 2yuy s VAL 12 CO -0.00 0.05 0.15 -0.89 -0.31 0.00 0.00 175.10 174.10 2yuy s THR 13 N 0.73 5.07 -0.03 5.32 2.01 -1.26 0.60 115.64 128.09 2yuy s THR 13 Ca -0.06 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2yuy s THR 13 Cb -0.08 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2yuy s THR 13 CO -0.03 0.18 0.05 -0.76 -0.69 0.00 0.00 174.62 173.37 2yuy s LEU 14 N -2.33 0.64 -0.31 4.42 1.02 0.41 -4.52 118.68 118.02 2yuy s LEU 14 Ca 0.31 0.08 -0.13 0.00 0.02 0.00 0.00 54.13 54.40 2yuy s LEU 14 Cb -0.13 -0.07 -0.03 0.00 0.02 0.00 0.00 46.19 45.99 2yuy s LEU 14 CO 0.24 -0.18 0.29 -0.54 0.02 0.00 0.00 176.35 176.17 2yuy s LYS 15 N 1.57 3.76 -0.45 1.70 3.01 -1.26 0.19 119.74 128.25 2yuy s LYS 15 Ca -0.03 -0.33 -0.42 0.00 -1.01 0.00 0.00 55.97 54.17 2yuy s LYS 15 Cb -0.13 -3.73 -0.17 0.00 -1.01 0.00 0.00 37.83 32.79 2yuy s LYS 15 CO -0.03 -0.35 2.04 -2.13 0.51 0.00 0.00 175.35 175.39 2yuy n ARG 16 N 5.22 0.29 -0.00 1.68 0.63 0.36 -4.80 116.66 120.04 2yuy n ARG 16 Ca -0.11 0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.73 2yuy n ARG 16 Cb 0.50 -1.73 -0.07 0.00 0.45 0.00 0.00 32.46 31.62 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 6.59 1.28 0.00 5.15 1.35 -1.87 -3.49 112.91 121.93 2yuy h THR 17 Ca -0.21 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 2yuy h THR 17 Cb 1.39 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 2yuy h THR 17 CO 1.05 0.64 0.00 -1.20 -0.25 0.00 0.00 175.52 175.76 2yuy n SER 18 N -3.91 0.00 -4.08 5.36 7.64 -1.26 -5.08 113.62 112.29 2yuy n SER 18 Ca -0.08 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.46 2yuy n SER 18 Cb 0.77 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.84 2yuy n SER 18 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2yuy s GLN 19 N 0.00 1.85 0.22 1.43 0.74 -1.26 -4.97 119.66 117.67 2yuy s GLN 19 Ca 0.00 -1.76 0.00 0.00 0.05 0.00 0.00 55.36 53.65 2yuy s GLN 19 Cb 0.00 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.76 2yuy s GLN 19 CO 0.00 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 174.21 2yuy n GLY 20 N 4.45 -4.49 3.32 2.59 0.00 -1.26 -4.96 105.19 104.83 2yuy n GLY 20 Ca -0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 0.38 -1.81 0.00 1.61 3.72 -1.26 -4.75 117.46 115.34 2yuy n PHE 21 Ca 0.00 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2yuy n PHE 21 Cb 0.00 -1.56 0.00 0.00 -0.94 0.00 0.00 39.48 36.98 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 1.68 -2.78 3.05 1.37 0.00 -1.26 -4.77 105.19 102.48 2yuy n GLY 22 Ca 0.03 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 -1.70 -3.99 1.61 -1.74 -1.26 -4.04 117.46 105.89 2yuy n PHE 23 Ca 0.00 0.28 -0.10 0.00 -0.56 0.00 0.00 57.45 57.07 2yuy n PHE 23 Cb 0.00 -1.43 -0.07 0.00 1.52 0.00 0.00 39.48 39.50 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 -2.09 0.04 0.38 1.97 -1.32 -0.91 -4.87 115.64 108.84 2yuy s THR 24 Ca 0.37 -1.45 0.08 0.00 -1.21 0.00 0.00 61.69 59.48 2yuy s THR 24 Cb -0.03 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 2yuy s THR 24 CO 0.47 -0.18 0.25 -0.76 -2.21 0.00 0.00 174.62 172.18 2yuy s LEU 25 N -3.00 3.32 0.17 9.08 2.01 -1.26 -2.45 118.68 126.55 2yuy s LEU 25 Ca 0.21 -0.80 0.08 0.00 0.01 0.00 0.00 54.13 53.63 2yuy s LEU 25 Cb 0.03 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.35 2yuy s LEU 25 CO 0.04 -0.47 -0.17 -0.60 1.01 0.00 0.00 176.35 176.16 2yuy s ARG 26 N -3.97 1.26 0.32 1.70 3.52 -1.21 -4.80 118.95 115.77 2yuy s ARG 26 Ca 0.42 -1.44 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 2yuy s ARG 26 Cb -0.02 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.15 2yuy s ARG 26 CO 0.25 0.24 0.00 0.72 -0.81 0.00 0.00 175.30 175.69 2yuy n HIS 27 N 0.14 -2.49 -0.04 5.12 8.25 -1.26 -4.69 115.22 120.24 2yuy n HIS 27 Ca -0.12 1.34 -0.08 0.00 -0.26 0.00 0.00 57.72 58.60 2yuy n HIS 27 Cb 0.58 -2.36 -0.03 0.00 1.12 0.00 0.00 29.99 29.31 2yuy n HIS 27 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2yuy n PHE 28 N -1.58 0.00 -3.33 4.41 7.35 -1.26 -5.01 117.46 118.04 2yuy n PHE 28 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 2yuy n PHE 28 Cb 0.15 -0.27 0.02 0.00 0.35 0.00 0.00 39.48 39.72 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 -3.33 -2.92 -2.99 -2.13 5.41 -1.26 -4.88 119.36 107.25 2yuy n ILE 29 Ca -0.15 0.32 -0.36 0.00 1.00 0.00 0.00 62.75 63.56 2yuy n ILE 29 Cb 0.61 -3.27 -0.06 0.00 -0.71 0.00 0.00 39.64 36.21 2yuy n ILE 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2yuy s VAL 30 N -1.21 4.45 -0.67 1.39 0.11 -1.26 -4.92 120.40 118.29 2yuy s VAL 30 Ca 0.17 1.47 0.05 0.00 -2.93 0.00 0.00 61.98 60.74 2yuy s VAL 30 Cb -0.02 -3.91 0.19 0.00 -1.53 0.00 0.00 36.38 31.11 2yuy s VAL 30 CO 0.40 0.18 0.54 -1.22 -3.33 0.00 0.00 175.10 171.66 2yuy n TYR 31 N 0.64 2.97 -2.55 1.54 4.02 -1.26 -5.09 117.16 117.43 2yuy n TYR 31 Ca -0.01 -4.20 -0.35 0.00 -0.01 0.00 0.00 57.90 53.34 2yuy n TYR 31 Cb 0.51 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.57 3.89 0.75 -0.72 0.04 -1.26 -5.04 135.00 131.09 2yuy s PRO 32 Ca 0.29 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2yuy s PRO 32 Cb 0.01 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2yuy s PRO 32 CO -0.14 -0.36 1.08 -1.25 0.04 0.00 0.00 177.00 176.37 2yuy s PRO 33 N -3.06 2.49 0.04 0.56 0.04 -1.26 -4.98 135.00 128.82 2yuy s PRO 33 Ca 0.65 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 2yuy s PRO 33 Cb -0.18 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2yuy s PRO 33 CO 0.22 -1.38 1.37 -2.00 0.04 0.00 0.00 177.00 175.25 2yuy s GLU 34 N -5.10 4.31 0.00 4.56 2.12 -1.26 -4.10 118.70 119.23 2yuy s GLU 34 Ca 0.59 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.90 2yuy s GLU 34 Cb -0.14 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2yuy s GLU 34 CO 0.55 -0.50 0.00 0.45 -0.54 0.00 0.00 175.26 175.21 2yuy n SER 35 N 4.83 0.00 -1.15 -1.70 2.88 -1.26 -4.84 113.62 112.37 2yuy n SER 35 Ca 0.12 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.69 2yuy n SER 35 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 -1.87 -1.67 -1.46 0.00 -1.26 -5.00 120.51 109.25 2yuy n ALA 36 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2yuy n ALA 36 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.65 0.00 -0.08 0.00 5.41 -1.26 -5.02 119.36 115.76 2yuy n ILE 37 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 2yuy n ILE 37 Cb 0.40 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.30 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 0.00 0.48 -2.27 0.38 -0.06 -1.26 -5.11 117.38 109.55 2yuy n GLN 38 Ca 0.00 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 2yuy n GLN 38 Cb 0.00 -1.34 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 2yuy n GLN 38 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2yuy n PHE 39 N -4.35 -4.27 -4.34 3.69 -0.00 -1.26 -5.04 117.46 101.89 2yuy n PHE 39 Ca -0.13 2.55 -0.24 0.00 -0.00 0.00 0.00 57.45 59.64 2yuy n PHE 39 Cb 0.47 -3.45 -0.13 0.00 -0.00 0.00 0.00 39.48 36.38 2yuy n PHE 39 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2yuy s SER 40 N -0.51 2.42 -0.71 -2.13 0.01 -1.26 -5.09 113.70 106.43 2yuy s SER 40 Ca 0.00 -0.64 -0.20 0.00 1.31 0.00 0.00 55.95 56.42 2yuy s SER 40 Cb 0.00 -0.14 0.10 0.00 0.21 0.00 0.00 66.02 66.19 2yuy s SER 40 CO 0.00 0.06 0.92 -0.47 0.41 0.00 0.00 173.24 174.16 2yuy s TYR 41 N -1.09 2.90 0.00 2.43 6.14 -1.26 -5.03 117.35 121.44 2yuy s TYR 41 Ca 0.06 -0.91 0.00 0.00 0.64 0.00 0.00 57.07 56.86 2yuy s TYR 41 Cb -0.10 -4.20 0.00 0.00 0.42 0.00 0.00 41.96 38.09 2yuy s TYR 41 CO 0.03 -1.49 0.00 1.63 0.64 0.00 0.00 175.55 176.37 2yuy n LYS 42 N 6.92 -1.28 0.04 4.97 4.01 -1.26 -5.02 118.16 126.55 2yuy n LYS 42 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 2yuy n LYS 42 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2yuy n ASP 43 N -2.46 -0.33 -3.86 4.39 2.03 -1.26 -5.05 116.55 110.01 2yuy n ASP 43 Ca 0.00 0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.15 2yuy n ASP 43 Cb 0.00 0.46 -0.15 0.00 -0.72 0.00 0.00 41.12 40.71 2yuy n ASP 43 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2yuy s GLU 44 N -2.00 1.06 0.34 -0.67 2.56 -1.26 -4.85 118.70 113.88 2yuy s GLU 44 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.97 53.60 2yuy s GLU 44 Cb 0.00 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.63 2yuy s GLU 44 CO 0.00 -0.94 0.00 -1.91 -0.56 0.00 0.00 175.26 171.85 2yuy n GLU 45 N 4.61 0.00 0.05 4.30 2.13 -1.26 -5.07 120.64 125.40 2yuy n GLU 45 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2yuy n GLU 45 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2yuy n GLU 45 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2yuy n ASN 46 N -3.34 -0.83 0.00 4.31 3.02 -1.26 -5.12 115.26 112.04 2yuy n ASN 46 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2yuy n ASN 46 Cb 0.00 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 47 N -1.13 -0.05 3.62 7.41 0.00 -1.26 -5.08 105.19 108.70 2yuy n GLY 47 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2yuy n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yuy s ASN 48 N -4.00 -0.10 -0.29 1.61 2.47 -1.26 -4.89 114.94 108.48 2yuy s ASN 48 Ca 0.00 0.09 -0.21 0.00 0.42 0.00 0.00 52.86 53.16 2yuy s ASN 48 Cb 0.00 0.09 0.16 0.00 -1.45 0.00 0.00 41.25 40.05 2yuy s ASN 48 CO 0.00 -0.11 1.15 -0.13 -3.72 0.00 0.00 177.10 174.29 2yuy s ARG 49 N -1.34 0.30 0.00 0.43 0.52 -1.26 -5.08 118.95 112.52 2yuy s ARG 49 Ca 0.07 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2yuy s ARG 49 Cb -0.01 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.57 2yuy s ARG 49 CO -0.05 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2yuy n GLY 50 N 2.59 2.59 0.00 -3.53 0.00 -1.26 -5.15 105.19 100.44 2yuy n GLY 50 Ca -0.14 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.17 3.21 3.66 -0.02 0.00 -1.26 -5.19 105.19 104.42 2yuy n GLY 51 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 2yuy n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yuy s LYS 52 N -1.75 0.98 0.51 1.61 2.20 -1.26 -5.15 119.74 116.88 2yuy s LYS 52 Ca 0.00 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2yuy s LYS 52 Cb 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2yuy s LYS 52 CO 0.00 -0.44 0.00 1.04 -0.36 0.00 0.00 175.35 175.59 2yuy n GLN 53 N -0.39 -2.95 -1.37 4.03 6.02 -1.26 -5.01 117.38 116.45 2yuy n GLN 53 Ca -0.07 2.33 0.00 0.00 -0.01 0.00 0.00 57.00 59.25 2yuy n GLN 53 Cb 0.61 -3.54 0.00 0.00 1.02 0.00 0.00 30.24 28.33 2yuy n GLN 53 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2yuy n ARG 54 N -4.18 -3.74 -1.57 -1.09 0.63 -1.26 -5.00 116.66 100.45 2yuy n ARG 54 Ca -0.06 2.85 0.00 0.00 -0.92 0.00 0.00 57.85 59.72 2yuy n ARG 54 Cb 0.64 -3.40 0.00 0.00 0.45 0.00 0.00 32.46 30.15 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 -1.79 -8.46 -3.91 6.15 5.15 -1.26 -4.94 115.26 106.20 2yuy n ASN 55 Ca 0.00 1.68 0.00 0.00 -0.60 0.00 0.00 54.58 55.66 2yuy n ASN 55 Cb 0.24 -4.97 0.00 0.00 -0.53 0.00 0.00 39.78 34.52 2yuy n ASN 55 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2yuy n ARG 56 N -2.10 2.02 0.00 1.20 0.63 -1.26 -5.03 116.66 112.13 2yuy n ARG 56 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2yuy n ARG 56 Cb 0.34 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.25 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2yuy n LEU 57 N 0.00 0.00 -3.45 6.15 4.77 -1.26 -5.04 117.00 118.17 2yuy n LEU 57 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2yuy n LEU 57 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2yuy n LEU 57 CO 0.00 -0.03 0.49 -1.61 -1.33 0.00 0.00 177.39 174.91 2yuy s GLU 58 N 0.00 1.13 0.00 3.23 2.02 -1.26 -5.18 118.70 118.64 2yuy s GLU 58 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2yuy s GLU 58 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.75 2yuy s GLU 58 CO 0.00 -0.49 0.00 -0.35 0.02 0.00 0.00 175.26 174.44 2yuy n PRO 59 N -0.29 0.82 -1.80 0.39 -0.04 -1.26 -5.12 135.00 127.69 2yuy n PRO 59 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2yuy n PRO 59 Cb 0.64 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.10 2yuy n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yuy n MET 60 N -0.15 0.03 -3.53 0.54 0.00 -1.26 -5.09 117.12 107.65 2yuy n MET 60 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 57.70 57.55 2yuy n MET 60 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 33.22 33.30 2yuy n MET 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2yuy s ASP 61 N -1.10 -0.71 0.00 3.17 2.15 -1.26 -5.01 116.67 113.91 2yuy s ASP 61 Ca 0.02 1.02 0.29 0.00 0.43 0.00 0.00 52.55 54.31 2yuy s ASP 61 Cb -0.00 1.65 1.35 0.00 -0.30 0.00 0.00 42.92 45.62 2yuy s ASP 61 CO 0.01 -0.15 1.94 0.41 -0.17 0.00 0.00 175.17 177.21 2yuy n THR 62 N 4.68 0.00 0.00 1.71 -1.04 -1.26 -4.78 114.28 113.60 2yuy n THR 62 Ca -0.13 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2yuy n THR 62 Cb 0.54 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 2yuy n THR 62 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2yuy n ILE 63 N -1.07 0.00 -1.41 12.58 -0.00 -1.26 -4.23 119.36 123.97 2yuy n ILE 63 Ca 0.15 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 63.04 2yuy n ILE 63 Cb 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.82 2yuy n ILE 63 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2yuy n PHE 64 N 0.00 -3.65 -3.49 1.39 3.72 -1.26 -3.33 117.46 110.83 2yuy n PHE 64 Ca 0.00 2.01 -0.32 0.00 -0.05 0.00 0.00 57.45 59.10 2yuy n PHE 64 Cb 0.00 -3.29 -0.05 0.00 -0.94 0.00 0.00 39.48 35.20 2yuy n PHE 64 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2yuy s VAL 65 N -4.53 5.00 0.06 -4.37 1.01 -0.65 -3.85 120.40 113.07 2yuy s VAL 65 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2yuy s VAL 65 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2yuy s VAL 65 CO 0.00 -0.03 -0.05 1.17 0.00 0.00 0.00 175.10 176.19 2yuy n LYS 66 N -0.04 0.07 -4.22 2.72 0.00 -1.03 -4.05 118.16 111.62 2yuy n LYS 66 Ca -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 58.31 58.21 2yuy n LYS 66 Cb 0.52 -0.61 -0.10 0.00 0.00 0.00 0.00 35.03 34.84 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2yuy s GLN 67 N -2.08 1.02 -0.11 1.64 -1.52 -1.26 -4.81 119.66 112.54 2yuy s GLN 67 Ca -0.04 -1.47 -0.01 0.00 -1.95 0.00 0.00 55.36 51.89 2yuy s GLN 67 Cb 0.01 -0.28 0.03 0.00 -0.22 0.00 0.00 33.01 32.54 2yuy s GLN 67 CO 0.06 -0.08 -0.04 0.08 -0.25 0.00 0.00 175.29 175.07 2yuy s VAL 68 N -3.61 0.77 -0.80 1.09 1.01 -1.26 -2.13 120.40 115.47 2yuy s VAL 68 Ca 0.20 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2yuy s VAL 68 Cb 0.05 -0.91 -0.17 0.00 0.00 0.00 0.00 36.38 35.35 2yuy s VAL 68 CO 0.01 0.24 2.48 1.17 0.00 0.00 0.00 175.10 179.01 2yuy n LYS 69 N 5.01 0.44 -1.55 2.72 4.81 -1.26 -4.74 118.16 123.59 2yuy n LYS 69 Ca -0.10 -0.12 -0.24 0.00 -0.87 0.00 0.00 58.31 56.98 2yuy n LYS 69 Cb 0.49 -2.41 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 2yuy n LYS 69 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2yuy n GLU 70 N 8.28 0.74 0.00 1.64 2.13 -1.26 0.68 120.64 132.85 2yuy n GLU 70 Ca 0.54 -0.44 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2yuy n GLU 70 Cb 0.28 -3.47 0.00 0.00 0.27 0.00 0.00 31.44 28.52 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 6.42 1.41 0.00 8.31 0.00 -1.26 -5.11 105.19 114.96 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 -0.68 2.48 0.09 -0.02 0.00 0.21 -4.98 105.19 102.31 2yuy n GLY 72 Ca 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.18 -0.82 1.61 0.13 -1.90 -3.06 132.00 127.79 2yuy h PRO 73 Ca 0.00 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.25 2yuy h PRO 73 Cb 0.00 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.04 2yuy h PRO 73 CO 0.00 -0.12 -0.45 0.00 -0.23 0.00 0.00 178.00 177.20 2yuy h ALA 74 N -1.53 -0.21 -0.82 -0.56 0.00 -1.88 1.20 119.26 115.47 2yuy h ALA 74 Ca -0.02 0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.25 2yuy h ALA 74 Cb 0.14 1.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2yuy h ALA 74 CO 0.03 -0.79 -0.05 0.35 0.00 0.00 0.00 179.25 178.79 2yuy h PHE 75 N -0.10 -0.16 0.13 0.00 3.57 -1.74 0.56 116.94 119.21 2yuy h PHE 75 Ca 0.23 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2yuy h PHE 75 Cb 0.54 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2yuy h PHE 75 CO -0.84 -0.31 -0.06 0.93 -2.23 0.00 0.00 178.31 175.80 2yuy h GLU 76 N 0.06 -0.17 -1.91 1.11 4.39 0.08 -3.05 114.58 115.08 2yuy h GLU 76 Ca 0.45 0.01 0.56 0.00 0.34 0.00 0.00 59.36 60.72 2yuy h GLU 76 Cb 0.79 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.40 2yuy h GLU 76 CO -0.77 0.28 1.37 0.00 -1.16 0.00 0.00 179.01 178.73 2yuy n ALA 77 N -2.50 1.83 0.00 3.43 0.00 0.36 -4.06 120.51 119.57 2yuy n ALA 77 Ca -0.08 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2yuy n ALA 77 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2yuy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuy n GLY 78 N -1.88 1.27 3.57 0.00 0.00 -0.29 -4.38 105.19 103.49 2yuy n GLY 78 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 0.62 0.00 0.99 2.96 0.03 -4.99 118.68 118.30 2yuy s LEU 79 Ca 0.00 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2yuy s LEU 79 Cb 0.00 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2yuy s LEU 79 CO 0.00 -4.14 0.00 0.00 -1.32 0.00 0.00 176.35 170.89 2yuy s THR 81 N -1.72 4.85 0.00 0.00 -4.23 -1.26 -4.48 115.64 108.79 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 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2yuy s THR 81 CO 0.00 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 2yuy n GLY 82 N 3.16 3.36 3.61 3.99 0.00 -1.26 -5.06 105.19 112.99 2yuy n GLY 82 Ca -0.17 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.43 2yuy n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuy n ASP 83 N 0.39 1.73 -4.53 1.61 8.00 -1.26 -4.40 116.55 118.09 2yuy n ASP 83 Ca 0.00 1.15 -0.31 0.00 0.71 0.00 0.00 54.79 56.34 2yuy n ASP 83 Cb 0.00 -1.29 -0.11 0.00 -0.02 0.00 0.00 41.12 39.70 2yuy n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuy s ARG 84 N -0.59 2.28 -0.28 -1.24 1.70 -1.26 -1.63 118.95 117.92 2yuy s ARG 84 Ca 0.69 -0.88 -0.27 0.00 -0.47 0.00 0.00 55.73 54.81 2yuy s ARG 84 Cb -0.77 -2.33 0.01 0.00 -0.57 0.00 0.00 34.95 31.29 2yuy s ARG 84 CO 0.53 0.56 0.95 0.42 -1.08 0.00 0.00 175.30 176.69 2yuy s ILE 85 N -0.98 4.67 -0.13 4.99 1.09 -1.26 -3.99 121.20 125.60 2yuy s ILE 85 Ca 0.16 1.64 0.14 0.00 -1.10 0.00 0.00 60.65 61.50 2yuy s ILE 85 Cb -0.11 -4.27 -0.20 0.00 -1.06 0.00 0.00 42.46 36.82 2yuy s ILE 85 CO 0.07 -0.28 0.11 2.30 -0.10 0.00 0.00 174.94 177.03 2yuy n ILE 86 N 5.55 0.86 -4.31 2.92 -5.35 0.32 -4.79 119.36 114.57 2yuy n ILE 86 Ca 0.09 -0.60 -0.16 0.00 -0.27 0.00 0.00 62.75 61.81 2yuy n ILE 86 Cb 0.47 -0.47 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 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 -2.50 1.30 -0.22 6.28 1.02 -1.22 -3.21 119.74 121.18 2yuy s LYS 87 Ca -0.07 -1.66 -0.05 0.00 0.02 0.00 0.00 55.97 54.21 2yuy s LYS 87 Cb 0.06 -0.48 0.11 0.00 -0.52 0.00 0.00 37.83 37.00 2yuy s LYS 87 CO 0.63 -0.14 0.41 0.08 -0.92 0.00 0.00 175.35 175.42 2yuy s VAL 88 N -3.53 -0.65 -1.29 3.17 1.01 -0.43 -3.12 120.40 115.56 2yuy s VAL 88 Ca 0.29 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2yuy s VAL 88 Cb 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2yuy s VAL 88 CO 0.08 -0.01 0.21 0.59 0.00 0.00 0.00 175.10 175.97 2yuy n ASN 89 N 5.38 -4.49 0.00 3.32 3.02 -0.75 0.18 115.26 121.92 2yuy n ASN 89 Ca -0.06 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2yuy n ASN 89 Cb 0.50 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.04 0.70 3.57 7.41 0.00 -1.26 -4.99 105.19 109.58 2yuy n GLY 90 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2yuy n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuy s GLU 91 N -0.08 3.76 0.15 1.61 2.12 0.48 -5.03 118.70 121.71 2yuy s GLU 91 Ca 0.00 -0.14 -0.31 0.00 0.36 0.00 0.00 54.97 54.87 2yuy s GLU 91 Cb 0.00 -3.75 -0.10 0.00 0.26 0.00 0.00 34.13 30.54 2yuy s GLU 91 CO 0.00 -0.47 1.59 -1.54 -0.54 0.00 0.00 175.26 174.30 2yuy s SER 92 N 1.70 6.58 0.28 -1.70 1.04 -1.26 -1.32 113.70 119.02 2yuy s SER 92 Ca 0.15 2.61 0.17 0.00 0.48 0.00 0.00 55.95 59.37 2yuy s SER 92 Cb -0.16 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.47 2yuy s SER 92 CO 0.11 -0.84 1.38 -0.37 0.98 0.00 0.00 173.24 174.51 2yuy h VAL 93 N 4.12 0.58 -0.71 5.02 -1.51 -1.91 -3.43 116.25 118.41 2yuy h VAL 93 Ca -0.43 -1.86 -0.84 0.00 -1.23 0.00 0.00 66.70 62.35 2yuy h VAL 93 Cb 1.20 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 32.59 2yuy h VAL 93 CO 0.92 0.33 0.90 -0.38 -1.23 0.00 0.00 177.57 178.12 2yuy n ILE 94 N -3.13 0.01 0.00 7.19 -0.00 -1.26 0.17 119.36 122.35 2yuy n ILE 94 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2yuy n ILE 94 Cb 0.69 -0.54 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 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 5.13 2.46 3.71 7.39 0.00 -1.26 -5.01 105.19 117.61 2yuy n GLY 95 Ca 0.38 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 1.61 -3.14 1.61 5.02 0.45 -4.98 118.16 118.73 2yuy n LYS 96 Ca 0.00 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.59 2yuy n LYS 96 Cb 0.00 -2.44 -0.03 0.00 -0.02 0.00 0.00 35.03 32.54 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 -1.30 4.94 0.33 -0.18 -1.32 -1.26 -4.86 115.64 111.98 2yuy s THR 97 Ca 0.69 0.24 0.11 0.00 -1.21 0.00 0.00 61.69 61.52 2yuy s THR 97 Cb -0.44 -3.74 0.36 0.00 -1.51 0.00 0.00 72.50 67.16 2yuy s THR 97 CO 0.51 -0.42 1.61 0.22 -2.21 0.00 0.00 174.62 174.33 2yuy h TYR 98 N 1.43 0.52 -0.50 9.09 3.20 -1.91 1.08 116.97 129.88 2yuy h TYR 98 Ca -0.48 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.45 2yuy h TYR 98 Cb 1.19 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 2yuy h TYR 98 CO 0.58 -0.36 0.33 1.03 -1.64 0.00 0.00 178.16 178.11 2yuy h SER 99 N 0.11 0.56 0.40 -2.11 0.87 -1.93 0.18 113.55 111.63 2yuy h SER 99 Ca 0.70 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.24 2yuy h SER 99 Cb 1.64 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 2yuy h SER 99 CO -0.76 0.40 -0.31 1.56 -0.53 0.00 0.00 176.83 177.19 2yuy h GLN 100 N 0.67 -0.66 -0.87 2.24 4.20 0.82 -0.55 115.11 120.95 2yuy h GLN 100 Ca 0.19 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.12 2yuy h GLN 100 Cb -0.06 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.77 2yuy h GLN 100 CO -0.05 -0.44 0.43 -0.39 -0.67 0.00 0.00 178.83 177.70 2yuy h VAL 101 N -0.69 0.64 -0.46 -0.54 -1.51 -1.25 0.19 116.25 112.63 2yuy h VAL 101 Ca -0.05 -0.19 0.09 0.00 -1.23 0.00 0.00 66.70 65.32 2yuy h VAL 101 Cb 0.57 0.04 -0.09 0.00 -2.13 0.00 0.00 31.29 29.69 2yuy h VAL 101 CO 0.01 0.10 -0.09 0.40 -1.23 0.00 0.00 177.57 176.76 2yuy h ILE 102 N 0.55 0.56 -0.73 7.19 1.08 -0.17 0.14 117.51 126.13 2yuy h ILE 102 Ca 0.50 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.91 2yuy h ILE 102 Cb 0.80 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2yuy h ILE 102 CO -0.42 0.00 0.24 0.00 -0.69 0.00 0.00 178.15 177.29 2yuy h ALA 103 N 1.45 1.05 -0.02 1.87 0.00 0.89 -0.14 119.26 124.37 2yuy h ALA 103 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yuy h ALA 103 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2yuy h ALA 103 CO -0.46 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 179.53 2yuy h LEU 104 N 1.08 0.00 0.00 0.00 3.38 0.14 1.50 115.31 121.42 2yuy h LEU 104 Ca 0.24 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.92 2yuy h LEU 104 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2yuy h LEU 104 CO -0.01 0.00 -1.57 -0.38 0.09 0.00 0.00 178.44 176.56 2yuy n ILE 105 N -3.06 1.54 -0.25 1.22 5.41 -0.26 -2.99 119.36 120.97 2yuy n ILE 105 Ca -0.02 -0.12 -0.06 0.00 1.00 0.00 0.00 62.75 63.54 2yuy n ILE 105 Cb 0.23 -2.00 0.05 0.00 -0.71 0.00 0.00 39.64 37.21 2yuy n ILE 105 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2yuy h GLN 106 N -0.97 1.00 -0.30 0.38 4.20 -0.03 -0.58 115.11 118.81 2yuy h GLN 106 Ca -0.43 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.12 2yuy h GLN 106 Cb 1.39 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2yuy h GLN 106 CO -0.25 0.80 0.00 0.09 -0.67 0.00 0.00 178.83 178.79 2yuy n ASN 107 N -4.43 1.53 0.00 1.46 3.02 0.50 -3.77 115.26 113.57 2yuy n ASN 107 Ca 0.05 -2.01 0.08 0.00 -0.03 0.00 0.00 54.58 52.66 2yuy n ASN 107 Cb 0.14 -0.20 0.35 0.00 -0.61 0.00 0.00 39.78 39.46 2yuy n ASN 107 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2yuy n SER 108 N 0.31 0.00 0.00 6.41 2.88 -0.22 -4.96 113.62 118.03 2yuy n SER 108 Ca 0.09 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2yuy n SER 108 Cb 0.25 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuy n ASP 109 N -1.43 0.00 0.25 -3.46 2.03 -1.25 -4.27 116.55 108.42 2yuy n ASP 109 Ca 0.05 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.20 2yuy n ASP 109 Cb 0.16 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 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 -3.44 5.18 2.02 -1.93 -3.43 112.91 111.31 2yuy h THR 110 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 2yuy h THR 110 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2yuy h THR 110 CO 0.00 0.00 -0.03 0.42 0.37 0.00 0.00 175.52 176.28 2yuy s THR 111 N -5.47 4.91 -0.12 3.16 -4.23 -1.26 0.13 115.64 112.77 2yuy s THR 111 Ca -0.15 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2yuy s THR 111 Cb 0.04 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.22 2yuy s THR 111 CO 0.52 -0.37 0.25 -0.22 -0.54 0.00 0.00 174.62 174.26 2yuy s LEU 112 N -3.57 0.02 -0.12 4.79 1.98 0.49 -4.75 118.68 117.53 2yuy s LEU 112 Ca 0.48 0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 52.22 2yuy s LEU 112 Cb -0.11 0.68 -0.04 0.00 0.66 0.00 0.00 46.19 47.39 2yuy s LEU 112 CO 0.29 -0.21 0.04 -0.70 -1.89 0.00 0.00 176.35 173.88 2yuy s GLU 113 N 1.92 3.36 0.36 1.98 2.12 -1.26 0.16 118.70 127.34 2yuy s GLU 113 Ca -0.03 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.03 2yuy s GLU 113 Cb -0.11 -2.99 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 2yuy s GLU 113 CO -0.08 0.59 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.68 2yuy s LEU 114 N -0.53 2.69 -0.03 2.70 1.43 0.20 -1.82 118.68 123.32 2yuy s LEU 114 Ca 0.10 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 2yuy s LEU 114 Cb -0.12 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.30 2yuy s LEU 114 CO 0.02 -0.37 0.05 -0.44 0.23 0.00 0.00 176.35 175.84 2yuy s SER 115 N -3.61 0.82 0.27 2.29 0.01 -1.18 -1.46 113.70 110.83 2yuy s SER 115 Ca 0.34 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.67 2yuy s SER 115 Cb 0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 2yuy s SER 115 CO 0.16 -0.21 0.05 1.33 0.41 0.00 0.00 173.24 174.99 2yuy n VAL 116 N 4.93 0.00 -3.80 3.43 0.24 -1.04 -0.52 118.33 121.58 2yuy n VAL 116 Ca -0.11 -1.42 -0.29 0.00 -2.04 0.00 0.00 64.34 60.48 2yuy n VAL 116 Cb 0.50 0.42 -0.16 0.00 -1.47 0.00 0.00 33.84 33.14 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 -2.99 0.95 0.98 7.34 -1.94 -1.26 -2.64 119.30 119.73 2yuy s MET 117 Ca 0.08 -0.73 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 2yuy s MET 117 Cb 0.00 -2.24 0.18 0.00 2.01 0.00 0.00 34.83 34.79 2yuy s MET 117 CO 0.05 -0.70 1.17 -1.25 -0.01 0.00 0.00 175.02 174.28 2yuy s PRO 118 N 1.67 0.60 0.09 2.03 0.04 -1.26 -4.79 135.00 133.38 2yuy s PRO 118 Ca -0.00 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.13 2yuy s PRO 118 Cb -0.18 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2yuy s PRO 118 CO -0.11 -2.53 0.00 1.17 0.04 0.00 0.00 177.00 175.58 2yuy n LYS 119 N -3.96 0.00 -2.86 4.56 3.00 -1.26 -5.02 118.16 112.62 2yuy n LYS 119 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.97 2yuy n LYS 119 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.59 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 -3.55 6.41 0.17 3.14 -1.08 -1.26 -4.99 116.67 115.51 2yuy s ASP 120 Ca 0.00 -1.51 -0.32 0.00 -0.52 0.00 0.00 52.55 50.20 2yuy s ASP 120 Cb 0.00 -2.42 -0.16 0.00 -1.46 0.00 0.00 42.92 38.88 2yuy s ASP 120 CO 0.00 -1.28 1.03 -1.20 0.52 0.00 0.00 175.17 174.24 2yuy n SER 121 N 7.28 0.75 -2.54 -0.34 7.64 -1.26 -4.97 113.62 120.18 2yuy n SER 121 Ca 0.12 1.15 -0.04 0.00 1.01 0.00 0.00 58.87 61.11 2yuy n SER 121 Cb 0.48 -1.15 0.01 0.00 -1.01 0.00 0.00 64.21 62.54 2yuy n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 122 N 1.85 1.71 0.17 0.23 0.00 -1.26 -5.07 105.19 102.82 2yuy n GLY 122 Ca 0.15 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.32 -5.03 1.61 0.13 -2.06 -3.48 132.00 122.85 2yuy h PRO 123 Ca -0.05 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.63 2yuy h PRO 123 Cb 0.23 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 31.30 2yuy h PRO 123 CO 0.07 -0.21 -0.57 0.45 -0.23 0.00 0.00 178.00 177.51 2yuy s SER 124 N -5.08 2.14 -0.30 1.44 0.15 -1.26 -5.15 113.70 105.63 2yuy s SER 124 Ca -0.05 -1.52 -0.15 0.00 0.70 0.00 0.00 55.95 54.94 2yuy s SER 124 Cb 0.00 0.26 0.18 0.00 -1.71 0.00 0.00 66.02 64.75 2yuy s SER 124 CO 0.14 -0.80 1.08 -0.55 1.20 0.00 0.00 173.24 174.31 2yuy s SER 125 N -3.47 -0.41 0.00 5.45 0.15 -1.26 -5.10 113.70 109.05 2yuy s SER 125 Ca 0.32 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2yuy s SER 125 Cb 0.06 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 2yuy s SER 125 CO 0.15 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13