#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyu s GLU 2 N 0.00 0.93 0.09 4.33 2.02 -1.23 -5.06 118.70 119.78 1iyu s GLU 2 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 1iyu s GLU 2 Cb 0.00 -0.97 -0.07 0.00 0.10 0.00 0.00 34.13 33.20 1iyu s GLU 2 CO 0.00 0.23 0.57 0.42 0.02 0.00 0.00 175.26 176.50 1iyu s ILE 3 N -1.02 4.76 -0.37 -1.63 1.01 -1.26 -3.64 121.20 119.06 1iyu s ILE 3 Ca 0.01 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.77 1iyu s ILE 3 Cb -0.09 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.61 1iyu s ILE 3 CO 0.02 0.48 0.13 -0.63 0.00 0.00 0.00 174.94 174.94 1iyu s ILE 4 N -1.20 3.24 0.78 2.92 1.01 -0.87 -5.01 121.20 122.08 1iyu s ILE 4 Ca 0.31 -1.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.20 1iyu s ILE 4 Cb -0.18 -3.07 0.16 0.00 0.01 0.00 0.00 42.46 39.37 1iyu s ILE 4 CO 0.19 -0.45 1.07 0.00 0.00 0.00 0.00 174.94 175.75 1iyu s ARG 5 N 1.20 1.36 0.33 2.79 1.70 -1.26 -1.51 118.95 123.56 1iyu s ARG 5 Ca 0.03 -1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1iyu s ARG 5 Cb -0.21 -2.26 -0.10 0.00 -0.57 0.00 0.00 34.95 31.80 1iyu s ARG 5 CO -0.02 -1.71 1.34 0.08 -1.08 0.00 0.00 175.30 173.91 1iyu s VAL 6 N -3.29 2.64 0.03 4.99 1.01 -0.57 -4.75 120.40 120.47 1iyu s VAL 6 Ca 0.69 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 1iyu s VAL 6 Cb -0.04 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1iyu s VAL 6 CO 0.46 0.15 0.04 -0.81 0.00 0.00 0.00 175.10 174.94 1iyu n PRO 7 N 0.91 -0.23 -2.73 2.72 -0.04 -1.26 -3.37 135.00 131.00 1iyu n PRO 7 Ca 0.01 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 1iyu n PRO 7 Cb 0.41 -0.05 -0.03 0.00 -0.04 0.00 0.00 33.50 33.80 1iyu n PRO 7 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1iyu s ASP 8 N -1.24 6.49 -0.12 3.54 -1.08 -1.26 -4.66 116.67 118.34 1iyu s ASP 8 Ca 0.02 0.11 0.11 0.00 -0.52 0.00 0.00 52.55 52.27 1iyu s ASP 8 Cb -0.00 -2.49 -0.15 0.00 -1.46 0.00 0.00 42.92 38.82 1iyu s ASP 8 CO 0.02 -1.21 0.04 2.30 0.52 0.00 0.00 175.17 176.83 1iyu n ILE 9 N 6.53 0.86 -0.15 4.11 -5.35 -1.26 -5.00 119.36 119.10 1iyu n ILE 9 Ca 0.07 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1iyu n ILE 9 Cb 0.49 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 1iyu n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iyu n GLY 10 N 2.25 0.92 0.00 3.28 0.00 -1.26 -5.00 105.19 105.38 1iyu n GLY 10 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iyu n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyu n GLY 11 N -2.15 2.00 3.89 -0.02 0.00 -1.26 -5.13 105.19 102.52 1iyu n GLY 11 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1iyu n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyu s ASP 12 N 2.00 6.54 -0.25 1.61 1.01 -1.26 -4.33 116.67 121.99 1iyu s ASP 12 Ca 0.00 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.00 1iyu s ASP 12 Cb 0.00 -2.15 0.04 0.00 1.01 0.00 0.00 42.92 41.82 1iyu s ASP 12 CO 0.00 -0.03 -0.09 -0.83 0.21 0.00 0.00 175.17 174.44 1iyu s GLY 13 N -2.49 1.63 -0.21 0.21 0.00 -0.90 -4.74 107.32 100.82 1iyu s GLY 13 Ca 0.44 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1iyu s GLY 13 CO 0.24 0.55 0.16 -0.54 0.00 0.00 0.00 173.10 173.51 1iyu s GLU 14 N 1.22 4.14 0.13 2.90 2.02 -1.22 -1.92 118.70 125.96 1iyu s GLU 14 Ca -0.04 -0.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 1iyu s GLU 14 Cb -0.18 -3.47 -0.08 0.00 0.10 0.00 0.00 34.13 30.50 1iyu s GLU 14 CO -0.05 0.19 1.32 0.08 0.02 0.00 0.00 175.26 176.81 1iyu s VAL 15 N 0.68 3.45 -0.22 2.63 1.01 -0.70 -1.78 120.40 125.47 1iyu s VAL 15 Ca 0.09 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 1iyu s VAL 15 Cb -0.12 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1iyu s VAL 15 CO 0.01 0.11 -0.32 -0.38 0.00 0.00 0.00 175.10 174.52 1iyu n ILE 16 N 3.54 1.40 -3.98 2.22 2.08 -0.21 -2.33 119.36 122.08 1iyu n ILE 16 Ca 0.09 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.09 1iyu n ILE 16 Cb 0.43 -1.95 -0.08 0.00 -0.75 0.00 0.00 39.64 37.29 1iyu n ILE 16 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1iyu s GLU 17 N -2.55 1.03 -0.18 0.38 2.12 -1.25 -4.34 118.70 113.91 1iyu s GLU 17 Ca -0.33 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 53.82 1iyu s GLU 17 Cb 0.11 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.88 1iyu s GLU 17 CO 0.43 -0.35 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.55 1iyu s LEU 18 N -2.96 1.90 -0.55 2.70 2.96 -1.26 -3.08 118.68 118.39 1iyu s LEU 18 Ca 0.16 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1iyu s LEU 18 Cb 0.05 -1.04 0.51 0.00 0.50 0.00 0.00 46.19 46.20 1iyu s LEU 18 CO -0.02 -0.17 1.88 0.00 -1.32 0.00 0.00 176.35 176.72 1iyu n LEU 19 N 4.80 6.92 -4.25 -0.68 -0.00 -1.21 -4.95 117.00 117.62 1iyu n LEU 19 Ca -0.13 -4.12 -0.15 0.00 -0.00 0.00 0.00 56.01 51.61 1iyu n LEU 19 Cb 0.47 -0.85 -0.10 0.00 -0.00 0.00 0.00 43.42 42.94 1iyu n LEU 19 CO 0.18 1.41 -0.21 0.68 -0.00 0.00 0.00 177.39 179.44 1iyu s VAL 20 N -4.29 0.13 0.32 1.47 -7.23 -1.26 -4.92 120.40 104.61 1iyu s VAL 20 Ca 0.60 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1iyu s VAL 20 Cb 0.48 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1iyu s VAL 20 CO 0.03 0.00 0.42 -0.54 -0.31 0.00 0.00 175.10 174.70 1iyu s LYS 21 N -3.98 1.79 0.04 4.82 1.02 -1.26 -5.10 119.74 117.07 1iyu s LYS 21 Ca 0.39 -1.72 -0.25 0.00 0.02 0.00 0.00 55.97 54.41 1iyu s LYS 21 Cb 0.06 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.73 1iyu s LYS 21 CO 0.16 -0.72 0.75 0.99 -0.92 0.00 0.00 175.35 175.61 1iyu s THR 22 N -3.31 4.74 0.00 2.17 2.01 -1.26 -3.39 115.64 116.61 1iyu s THR 22 Ca 0.32 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.92 1iyu s THR 22 Cb 0.01 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1iyu s THR 22 CO 0.19 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1iyu n GLY 23 N 2.40 1.25 3.73 4.40 0.00 -0.45 -4.94 105.19 111.57 1iyu n GLY 23 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1iyu n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyu s ASP 24 N -3.14 7.12 -0.22 1.61 1.11 -1.22 -4.70 116.67 117.24 1iyu s ASP 24 Ca 0.00 1.35 -0.23 0.00 0.18 0.00 0.00 52.55 53.85 1iyu s ASP 24 Cb 0.00 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.52 1iyu s ASP 24 CO 0.00 -0.09 0.72 -0.22 1.18 0.00 0.00 175.17 176.76 1iyu s LEU 25 N 0.54 4.11 0.00 1.23 2.96 -1.26 -1.83 118.68 124.44 1iyu s LEU 25 Ca 0.40 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 1iyu s LEU 25 Cb -0.19 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.48 1iyu s LEU 25 CO 0.21 -0.39 0.07 -0.38 -1.32 0.00 0.00 176.35 174.55 1iyu n ILE 26 N 4.97 0.00 -4.16 6.68 5.41 -0.49 -4.97 119.36 126.80 1iyu n ILE 26 Ca 0.02 -0.13 -0.11 0.00 1.00 0.00 0.00 62.75 63.53 1iyu n ILE 26 Cb 0.49 -1.26 -0.10 0.00 -0.71 0.00 0.00 39.64 38.06 1iyu n ILE 26 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1iyu s GLU 27 N -2.50 1.12 -1.35 0.38 2.02 -1.26 -4.20 118.70 112.90 1iyu s GLU 27 Ca 0.05 -1.53 -0.17 0.00 0.02 0.00 0.00 54.97 53.34 1iyu s GLU 27 Cb -0.00 0.27 0.06 0.00 0.10 0.00 0.00 34.13 34.56 1iyu s GLU 27 CO 0.03 -0.36 1.90 1.55 0.02 0.00 0.00 175.26 178.41 1iyu n VAL 28 N -0.21 3.75 0.00 2.63 3.14 -1.26 -3.59 118.33 122.78 1iyu n VAL 28 Ca -0.01 -3.71 0.00 0.00 -2.96 0.00 0.00 64.34 57.66 1iyu n VAL 28 Cb 0.65 -2.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.00 1iyu n VAL 28 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1iyu n GLU 29 N 7.64 0.00 -1.60 1.45 1.02 -1.26 -5.04 120.64 122.85 1iyu n GLU 29 Ca 0.50 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 57.24 1iyu n GLU 29 Cb 0.44 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.88 1iyu n GLU 29 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1iyu n GLN 30 N 0.00 1.18 -1.09 3.49 7.27 -1.24 -4.71 117.38 122.29 1iyu n GLN 30 Ca 0.00 0.43 -0.29 0.00 0.07 0.00 0.00 57.00 57.21 1iyu n GLN 30 Cb 0.00 -2.04 0.17 0.00 2.41 0.00 0.00 30.24 30.78 1iyu n GLN 30 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1iyu s GLY 31 N -0.88 1.58 0.00 1.69 0.00 -1.26 -1.83 107.32 106.62 1iyu s GLY 31 Ca 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1iyu s GLY 31 CO 0.54 0.37 0.00 -0.10 0.00 0.00 0.00 173.10 173.92 1iyu n LEU 32 N -4.18 0.31 -4.11 0.66 0.00 0.94 -4.40 117.00 106.21 1iyu n LEU 32 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.95 1iyu n LEU 32 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.91 1iyu n LEU 32 CO 0.56 -0.12 -0.02 0.68 0.00 0.00 0.00 177.39 178.49 1iyu s VAL 33 N -1.93 0.00 -0.42 1.96 -7.23 -0.40 -3.34 120.40 109.05 1iyu s VAL 33 Ca 0.00 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1iyu s VAL 33 Cb 0.00 -2.39 0.13 0.00 0.56 0.00 0.00 36.38 34.67 1iyu s VAL 33 CO 0.00 0.00 0.20 -0.69 -0.31 0.00 0.00 175.10 174.30 1iyu s VAL 34 N -3.96 1.50 0.18 1.32 1.01 -1.18 -1.88 120.40 117.40 1iyu s VAL 34 Ca 0.31 -2.42 -0.13 0.00 0.00 0.00 0.00 61.98 59.74 1iyu s VAL 34 Cb 0.03 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1iyu s VAL 34 CO 0.12 -0.83 0.57 -0.76 0.00 0.00 0.00 175.10 174.20 1iyu s LEU 35 N 0.54 4.28 0.00 3.92 1.43 -0.65 -1.05 118.68 127.16 1iyu s LEU 35 Ca 0.16 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 1iyu s LEU 35 Cb -0.23 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1iyu s LEU 35 CO -0.04 0.04 -0.02 -0.70 0.23 0.00 0.00 176.35 175.86 1iyu s GLU 36 N -2.24 2.72 0.22 1.70 2.12 -0.73 -0.80 118.70 121.68 1iyu s GLU 36 Ca 0.41 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 55.13 1iyu s GLU 36 Cb -0.14 -2.63 0.03 0.00 0.26 0.00 0.00 34.13 31.65 1iyu s GLU 36 CO 0.20 0.62 0.22 0.43 -0.54 0.00 0.00 175.26 176.18 1iyu n SER 37 N 1.41 1.34 -0.13 -1.70 7.64 0.37 -3.45 113.62 119.10 1iyu n SER 37 Ca -0.15 -1.68 0.14 0.00 1.01 0.00 0.00 58.87 58.19 1iyu n SER 37 Cb 0.53 -0.08 0.60 0.00 -1.01 0.00 0.00 64.21 64.25 1iyu n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyu n ALA 38 N -2.63 2.77 -2.01 -0.43 0.00 -1.26 -4.00 120.51 112.95 1iyu n ALA 38 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1iyu n ALA 38 Cb 0.24 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1iyu n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iyu n LYS 39 N -0.89 0.00 0.00 0.00 5.02 -1.26 -5.11 118.16 115.92 1iyu n LYS 39 Ca 0.15 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1iyu n LYS 39 Cb 0.28 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1iyu n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iyu n ALA 40 N 0.01 0.00 -2.69 7.82 0.00 -1.26 -5.14 120.51 119.26 1iyu n ALA 40 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1iyu n ALA 40 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 1iyu n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1iyu s SER 41 N 0.00 6.54 0.23 0.00 0.01 -1.26 -0.48 113.70 118.74 1iyu s SER 41 Ca 0.00 0.64 0.11 0.00 1.31 0.00 0.00 55.95 58.00 1iyu s SER 41 Cb 0.00 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 1iyu s SER 41 CO 0.00 0.18 -0.16 -0.04 0.41 0.00 0.00 173.24 173.63 1iyu s MET 42 N -0.06 1.82 0.18 12.44 -1.94 0.02 -4.89 119.30 126.87 1iyu s MET 42 Ca 0.19 -1.53 0.09 0.00 -1.71 0.00 0.00 55.69 52.73 1iyu s MET 42 Cb -0.14 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1iyu s MET 42 CO 0.07 0.38 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.14 1iyu s GLU 43 N -3.14 2.03 -0.20 2.03 2.02 -1.26 -1.63 118.70 118.54 1iyu s GLU 43 Ca 0.26 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1iyu s GLU 43 Cb -0.07 -2.14 0.06 0.00 0.10 0.00 0.00 34.13 32.08 1iyu s GLU 43 CO 0.14 0.43 -0.01 0.08 0.02 0.00 0.00 175.26 175.92 1iyu s VAL 44 N -1.73 0.96 0.00 2.63 1.01 -0.79 -4.96 120.40 117.53 1iyu s VAL 44 Ca 0.25 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1iyu s VAL 44 Cb -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1iyu s VAL 44 CO 0.15 -0.13 0.00 -0.81 0.00 0.00 0.00 175.10 174.31 1iyu n PRO 45 N 4.89 -0.01 -2.91 2.72 -0.04 -1.26 -0.04 135.00 138.35 1iyu n PRO 45 Ca -0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1iyu n PRO 45 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 1iyu n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iyu s SER 46 N -1.11 6.84 0.00 3.54 0.15 -0.76 -4.37 113.70 117.99 1iyu s SER 46 Ca 0.00 1.04 0.29 0.00 0.70 0.00 0.00 55.95 57.98 1iyu s SER 46 Cb 0.00 -2.43 1.69 0.00 -1.71 0.00 0.00 66.02 63.57 1iyu s SER 46 CO 0.00 -0.48 2.05 -0.81 1.20 0.00 0.00 173.24 175.20 1iyu n PRO 47 N 5.82 0.86 -3.63 5.44 -0.04 -1.26 -4.11 135.00 138.08 1iyu n PRO 47 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1iyu n PRO 47 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1iyu n PRO 47 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iyu s LYS 48 N -2.05 0.81 -0.95 0.54 1.02 -1.26 -5.03 119.74 112.81 1iyu s LYS 48 Ca 0.42 1.03 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 1iyu s LYS 48 Cb 0.20 0.37 0.05 0.00 -0.52 0.00 0.00 37.83 37.92 1iyu s LYS 48 CO 0.34 -0.11 1.40 0.00 -0.92 0.00 0.00 175.35 176.06 1iyu s ALA 49 N 0.57 2.75 0.00 5.17 0.00 -1.26 -4.65 121.76 124.33 1iyu s ALA 49 Ca -0.01 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1iyu s ALA 49 Cb -0.05 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1iyu s ALA 49 CO -0.02 -3.52 0.00 0.41 0.00 0.00 0.00 175.76 172.63 1iyu n GLY 50 N 6.50 4.36 3.21 0.00 0.00 -1.26 -4.71 105.19 113.29 1iyu n GLY 50 Ca 0.26 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1iyu n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyu s VAL 51 N -1.67 2.51 0.19 1.61 0.11 -0.98 -1.39 120.40 120.78 1iyu s VAL 51 Ca 0.00 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1iyu s VAL 51 Cb 0.00 -2.07 -0.16 0.00 -1.53 0.00 0.00 36.38 32.62 1iyu s VAL 51 CO 0.00 0.51 0.83 0.52 -3.33 0.00 0.00 175.10 173.63 1iyu n VAL 52 N 4.37 1.54 -0.04 2.04 0.31 -0.76 -2.04 118.33 123.75 1iyu n VAL 52 Ca -0.20 -0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1iyu n VAL 52 Cb 0.51 -0.41 -0.04 0.00 -0.91 0.00 0.00 33.84 32.99 1iyu n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1iyu n LYS 53 N 1.14 0.20 -3.62 5.55 4.81 -0.37 -1.34 118.16 124.53 1iyu n LYS 53 Ca 0.16 0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.50 1iyu n LYS 53 Cb 0.25 -1.12 -0.07 0.00 0.02 0.00 0.00 35.03 34.10 1iyu n LYS 53 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iyu s SER 54 N -4.90 -0.61 -0.34 3.14 0.15 -1.23 -4.83 113.70 105.07 1iyu s SER 54 Ca -0.11 0.97 -0.09 0.00 0.70 0.00 0.00 55.95 57.42 1iyu s SER 54 Cb 0.03 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 1iyu s SER 54 CO 0.18 -0.37 0.15 -0.69 1.20 0.00 0.00 173.24 173.71 1iyu s VAL 55 N -0.34 4.27 -1.01 4.45 1.01 -1.26 -2.32 120.40 125.20 1iyu s VAL 55 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1iyu s VAL 55 Cb -0.03 -3.33 0.40 0.00 0.00 0.00 0.00 36.38 33.42 1iyu s VAL 55 CO 0.04 -0.12 1.18 -1.20 0.00 0.00 0.00 175.10 175.00 1iyu n SER 56 N 4.92 3.04 -3.29 3.32 7.64 -0.93 -4.89 113.62 123.44 1iyu n SER 56 Ca -0.13 -2.34 -0.20 0.00 1.01 0.00 0.00 58.87 57.21 1iyu n SER 56 Cb 0.46 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1iyu n SER 56 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iyu s VAL 57 N -1.79 0.00 0.28 0.44 -7.23 -1.21 -4.89 120.40 106.00 1iyu s VAL 57 Ca 0.27 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1iyu s VAL 57 Cb 0.19 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1iyu s VAL 57 CO 0.11 0.00 0.26 -0.75 -0.31 0.00 0.00 175.10 174.41 1iyu s LYS 58 N -3.36 1.55 -0.06 4.82 2.20 -1.26 -5.09 119.74 118.54 1iyu s LYS 58 Ca 0.40 -1.78 -0.25 0.00 -0.36 0.00 0.00 55.97 53.98 1iyu s LYS 58 Cb 0.02 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1iyu s LYS 58 CO 0.28 -0.57 0.78 -0.48 -0.36 0.00 0.00 175.35 175.00 1iyu s LEU 59 N -3.25 4.32 0.00 5.43 0.05 -1.26 -3.37 118.68 120.60 1iyu s LEU 59 Ca 0.37 1.30 0.00 0.00 0.05 0.00 0.00 54.13 55.85 1iyu s LEU 59 Cb 0.04 -3.21 0.00 0.00 -2.05 0.00 0.00 46.19 40.96 1iyu s LEU 59 CO 0.19 -0.17 0.00 0.61 -0.55 0.00 0.00 176.35 176.43 1iyu n GLY 60 N 3.09 1.60 3.81 -3.48 0.00 -0.98 -5.02 105.19 104.21 1iyu n GLY 60 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1iyu n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyu s ASP 61 N -2.60 5.64 -0.03 1.61 1.11 -1.22 -4.71 116.67 116.48 1iyu s ASP 61 Ca 0.00 1.72 0.00 0.00 0.18 0.00 0.00 52.55 54.45 1iyu s ASP 61 Cb 0.00 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1iyu s ASP 61 CO 0.00 -1.26 0.02 -0.54 1.18 0.00 0.00 175.17 174.57 1iyu s LYS 62 N -4.51 2.91 -0.01 8.23 1.02 -1.26 -1.72 119.74 124.41 1iyu s LYS 62 Ca 0.61 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 1iyu s LYS 62 Cb -0.15 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1iyu s LYS 62 CO 0.45 0.65 0.03 -0.51 -0.92 0.00 0.00 175.35 175.05 1iyu s LEU 63 N -1.42 1.92 -0.08 3.17 1.43 -0.81 -4.98 118.68 117.90 1iyu s LEU 63 Ca 0.19 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1iyu s LEU 63 Cb -0.12 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 1iyu s LEU 63 CO 0.09 -0.07 0.20 -0.75 0.23 0.00 0.00 176.35 176.05 1iyu s LYS 64 N -0.25 3.53 0.21 1.70 2.20 -1.26 -2.11 119.74 123.76 1iyu s LYS 64 Ca -0.03 -0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.25 1iyu s LYS 64 Cb -0.02 -3.18 -0.17 0.00 -1.51 0.00 0.00 37.83 32.95 1iyu s LYS 64 CO -0.00 0.75 0.59 -0.85 -0.36 0.00 0.00 175.35 175.48 1iyu n GLU 65 N 1.82 0.15 0.00 4.03 0.28 -1.26 -1.25 120.64 124.42 1iyu n GLU 65 Ca -0.18 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1iyu n GLU 65 Cb 0.54 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.31 1iyu n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iyu n GLY 66 N 1.90 2.03 3.78 -1.84 0.00 -1.22 -4.96 105.19 104.89 1iyu n GLY 66 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1iyu n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyu s ASP 67 N -1.45 7.31 0.64 1.61 1.11 -0.38 -4.78 116.67 120.73 1iyu s ASP 67 Ca 0.00 1.57 -0.18 0.00 0.18 0.00 0.00 52.55 54.12 1iyu s ASP 67 Cb 0.00 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 1iyu s ASP 67 CO 0.00 0.21 1.24 0.00 1.18 0.00 0.00 175.17 177.80 1iyu s ALA 68 N -1.17 2.41 0.01 5.23 0.00 -1.26 -1.51 121.76 125.47 1iyu s ALA 68 Ca 0.35 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1iyu s ALA 68 Cb -0.22 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1iyu s ALA 68 CO 0.25 -1.45 -0.03 -0.89 0.00 0.00 0.00 175.76 173.63 1iyu n ILE 69 N -1.91 0.47 -4.21 0.00 2.08 -0.57 -4.77 119.36 110.44 1iyu n ILE 69 Ca 0.14 0.20 -0.17 0.00 0.56 0.00 0.00 62.75 63.49 1iyu n ILE 69 Cb 0.49 -1.36 -0.07 0.00 -0.75 0.00 0.00 39.64 37.95 1iyu n ILE 69 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1iyu s ILE 70 N -1.44 0.00 -0.27 1.39 -4.36 -1.18 -2.18 121.20 113.15 1iyu s ILE 70 Ca -0.03 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1iyu s ILE 70 Cb 0.00 -2.53 0.08 0.00 1.25 0.00 0.00 42.46 41.27 1iyu s ILE 70 CO 0.04 0.00 0.04 -1.61 0.24 0.00 0.00 174.94 173.65 1iyu s GLU 71 N -3.49 1.00 0.13 0.37 2.02 -0.98 -2.06 118.70 115.69 1iyu s GLU 71 Ca 0.37 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 54.23 1iyu s GLU 71 Cb 0.02 -2.28 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 1iyu s GLU 71 CO 0.22 -0.81 0.56 -1.17 0.02 0.00 0.00 175.26 174.08 1iyu s LEU 72 N 1.55 4.37 -0.54 1.80 0.20 -1.24 -1.23 118.68 123.59 1iyu s LEU 72 Ca 0.04 1.12 -0.03 0.00 0.69 0.00 0.00 54.13 55.94 1iyu s LEU 72 Cb -0.18 -3.21 0.14 0.00 -0.43 0.00 0.00 46.19 42.52 1iyu s LEU 72 CO -0.15 0.13 0.35 -0.70 -0.29 0.00 0.00 176.35 175.69 1iyu s GLU 73 N -1.80 2.36 -1.28 1.98 2.12 -0.87 -3.57 118.70 117.64 1iyu s GLU 73 Ca 0.36 -2.22 -0.19 0.00 0.36 0.00 0.00 54.97 53.29 1iyu s GLU 73 Cb -0.16 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.56 1iyu s GLU 73 CO 0.19 -1.14 1.84 -0.35 -0.54 0.00 0.00 175.26 175.26 1iyu n PRO 74 N 3.99 2.79 -1.52 4.30 -0.04 -1.26 -2.33 135.00 140.93 1iyu n PRO 74 Ca 0.03 -3.00 -0.36 0.00 -0.04 0.00 0.00 63.50 60.13 1iyu n PRO 74 Cb 0.39 -3.50 -0.13 0.00 -0.04 0.00 0.00 33.50 30.22 1iyu n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iyu n ALA 75 N 9.31 0.52 -1.65 0.55 0.00 -1.26 -4.74 120.51 123.24 1iyu n ALA 75 Ca 0.49 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 1iyu n ALA 75 Cb 0.45 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1iyu n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyu n ALA 76 N 11.67 7.02 0.00 0.00 0.00 -1.26 -4.75 120.51 133.19 1iyu n ALA 76 Ca 0.58 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1iyu n ALA 76 Cb 0.19 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1iyu n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iyu n GLY 77 N 2.33 2.04 6.05 0.00 0.00 -1.26 -4.93 105.19 109.41 1iyu n GLY 77 Ca 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1iyu n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyu n ALA 78 N 0.00 0.00 -0.31 4.61 0.00 -1.26 -5.28 120.51 118.27 1iyu n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iyu n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iyu n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37