#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyv s GLU 2 N 0.00 0.22 0.00 4.33 2.02 -0.95 -5.01 118.70 119.31 1iyv s GLU 2 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 54.97 54.61 1iyv s GLU 2 Cb 0.00 0.09 -0.06 0.00 0.10 0.00 0.00 34.13 34.26 1iyv s GLU 2 CO 0.00 -0.04 0.53 0.42 0.02 0.00 0.00 175.26 176.19 1iyv s ILE 3 N -0.66 4.92 -0.19 -1.63 -1.09 -1.26 -2.49 121.20 118.80 1iyv s ILE 3 Ca -0.07 1.10 -0.04 0.00 -2.23 0.00 0.00 60.65 59.41 1iyv s ILE 3 Cb -0.05 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1iyv s ILE 3 CO 0.00 0.48 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.53 1iyv s ILE 4 N -0.55 3.61 0.44 2.92 1.01 -0.95 -5.00 121.20 122.68 1iyv s ILE 4 Ca 0.28 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.57 1iyv s ILE 4 Cb -0.18 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 1iyv s ILE 4 CO 0.16 0.45 0.45 0.00 0.00 0.00 0.00 174.94 176.00 1iyv s ARG 5 N 0.99 2.55 0.43 2.79 1.70 -1.26 -0.56 118.95 125.59 1iyv s ARG 5 Ca 0.00 -1.53 -0.26 0.00 -0.47 0.00 0.00 55.73 53.48 1iyv s ARG 5 Cb -0.15 -2.45 -0.09 0.00 -0.57 0.00 0.00 34.95 31.70 1iyv s ARG 5 CO 0.01 -0.30 1.40 0.08 -1.08 0.00 0.00 175.30 175.40 1iyv s VAL 6 N -2.49 2.23 0.04 4.99 1.01 -0.64 -4.84 120.40 120.70 1iyv s VAL 6 Ca 0.49 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 1iyv s VAL 6 Cb -0.05 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1iyv s VAL 6 CO 0.29 0.03 0.05 -0.81 0.00 0.00 0.00 175.10 174.66 1iyv n PRO 7 N -0.03 -0.20 -2.82 2.72 -0.04 -1.26 -3.35 135.00 130.02 1iyv n PRO 7 Ca 0.04 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 1iyv n PRO 7 Cb 0.42 -0.05 -0.04 0.00 -0.04 0.00 0.00 33.50 33.79 1iyv n PRO 7 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1iyv s ASP 8 N -1.25 6.53 -0.00 3.54 2.15 -1.26 -4.62 116.67 121.76 1iyv s ASP 8 Ca 0.03 0.19 0.14 0.00 0.43 0.00 0.00 52.55 53.34 1iyv s ASP 8 Cb -0.00 -2.45 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 1iyv s ASP 8 CO 0.02 -1.02 0.60 2.30 -0.17 0.00 0.00 175.17 176.90 1iyv n ILE 9 N 6.36 0.00 -1.93 4.11 -5.35 -1.26 -4.97 119.36 116.32 1iyv n ILE 9 Ca 0.06 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 1iyv n ILE 9 Cb 0.48 0.99 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 1iyv n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iyv n GLY 10 N 1.34 0.36 0.00 3.28 0.00 -1.26 -4.93 105.19 103.97 1iyv n GLY 10 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1iyv n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyv n GLY 11 N -1.19 1.65 3.25 -0.02 0.00 -1.26 -4.86 105.19 102.76 1iyv n GLY 11 Ca -0.13 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1iyv n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iyv n ASP 12 N 0.00 -3.53 -4.03 1.61 2.03 -1.26 -4.70 116.55 106.67 1iyv n ASP 12 Ca 0.00 0.46 -0.31 0.00 0.52 0.00 0.00 54.79 55.46 1iyv n ASP 12 Cb 0.00 -0.96 -0.15 0.00 -0.72 0.00 0.00 41.12 39.29 1iyv n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1iyv s GLY 13 N -1.23 1.57 -0.34 0.27 0.00 -1.05 -4.50 107.32 102.04 1iyv s GLY 13 Ca 0.54 -1.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 1iyv s GLY 13 CO 0.69 0.73 0.22 1.85 0.00 0.00 0.00 173.10 176.58 1iyv s GLU 14 N 1.17 3.33 0.21 2.90 2.12 -1.24 -2.11 118.70 125.08 1iyv s GLU 14 Ca -0.07 -0.75 -0.32 0.00 0.36 0.00 0.00 54.97 54.20 1iyv s GLU 14 Cb -0.20 -3.75 -0.12 0.00 0.26 0.00 0.00 34.13 30.33 1iyv s GLU 14 CO -0.06 -0.49 1.72 0.08 -0.54 0.00 0.00 175.26 175.97 1iyv s VAL 15 N 1.67 2.04 -0.18 3.70 1.01 -0.25 -2.09 120.40 126.30 1iyv s VAL 15 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1iyv s VAL 15 Cb -0.18 -3.02 -0.16 0.00 0.00 0.00 0.00 36.38 33.03 1iyv s VAL 15 CO 0.09 0.00 -0.07 -0.38 0.00 0.00 0.00 175.10 174.74 1iyv n ILE 16 N 4.00 1.09 -3.64 2.22 5.41 -0.87 -2.62 119.36 124.96 1iyv n ILE 16 Ca 0.16 -0.53 -0.08 0.00 1.00 0.00 0.00 62.75 63.30 1iyv n ILE 16 Cb 0.35 -0.93 -0.07 0.00 -0.71 0.00 0.00 39.64 38.28 1iyv n ILE 16 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1iyv s GLU 17 N -2.38 0.57 -0.17 0.38 2.56 -1.25 -4.10 118.70 114.31 1iyv s GLU 17 Ca -0.18 0.81 -0.03 0.00 0.00 0.00 0.00 54.97 55.56 1iyv s GLU 17 Cb 0.06 0.21 -0.02 0.00 2.00 0.00 0.00 34.13 36.38 1iyv s GLU 17 CO 0.53 -0.09 -0.05 -1.17 -0.56 0.00 0.00 175.26 173.92 1iyv s LEU 18 N 0.82 3.08 -0.64 2.70 2.96 -1.26 -3.29 118.68 123.06 1iyv s LEU 18 Ca -0.03 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1iyv s LEU 18 Cb -0.05 -1.75 0.35 0.00 0.50 0.00 0.00 46.19 45.25 1iyv s LEU 18 CO -0.10 0.12 1.16 0.00 -1.32 0.00 0.00 176.35 176.22 1iyv n LEU 19 N 3.85 5.12 -4.11 -0.68 -0.00 -1.22 -4.92 117.00 115.02 1iyv n LEU 19 Ca -0.18 -5.52 -0.10 0.00 -0.00 0.00 0.00 56.01 50.22 1iyv n LEU 19 Cb 0.52 -0.66 -0.10 0.00 -0.00 0.00 0.00 43.42 43.18 1iyv n LEU 19 CO 0.32 2.26 -0.38 0.68 -0.00 0.00 0.00 177.39 180.27 1iyv s VAL 20 N -4.68 0.50 0.14 1.47 -7.23 -1.26 -4.91 120.40 104.44 1iyv s VAL 20 Ca 0.47 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 1iyv s VAL 20 Cb 0.30 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1iyv s VAL 20 CO -0.16 -0.78 -0.12 -0.75 -0.31 0.00 0.00 175.10 172.98 1iyv s LYS 21 N -3.22 1.08 -0.03 4.82 2.20 -1.26 -5.10 119.74 118.23 1iyv s LYS 21 Ca 0.04 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 53.99 1iyv s LYS 21 Cb 0.02 -0.82 -0.03 0.00 -1.51 0.00 0.00 37.83 35.49 1iyv s LYS 21 CO -0.05 0.13 0.96 -0.08 -0.36 0.00 0.00 175.35 175.96 1iyv s THR 22 N -2.72 4.87 0.00 3.43 -1.32 -1.26 -3.04 115.64 115.60 1iyv s THR 22 Ca 0.14 2.00 0.00 0.00 -1.21 0.00 0.00 61.69 62.61 1iyv s THR 22 Cb -0.01 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 1iyv s THR 22 CO 0.03 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1iyv n GLY 23 N 2.97 1.32 3.73 6.08 0.00 -0.36 -4.94 105.19 113.98 1iyv n GLY 23 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1iyv n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 24 N -2.94 7.31 -0.10 1.61 1.11 -1.17 -4.64 116.67 117.86 1iyv s ASP 24 Ca 0.00 1.57 -0.30 0.00 0.18 0.00 0.00 52.55 54.01 1iyv s ASP 24 Cb 0.00 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1iyv s ASP 24 CO 0.00 -0.11 1.01 -0.22 1.18 0.00 0.00 175.17 177.03 1iyv s LEU 25 N 0.39 4.25 0.00 1.23 2.96 -1.26 -2.46 118.68 123.79 1iyv s LEU 25 Ca 0.45 1.54 -0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1iyv s LEU 25 Cb -0.21 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.94 1iyv s LEU 25 CO 0.26 -0.44 0.14 -0.38 -1.32 0.00 0.00 176.35 174.61 1iyv n ILE 26 N 4.52 0.00 -4.01 6.68 5.41 -0.68 -4.97 119.36 126.30 1iyv n ILE 26 Ca 0.09 -0.22 -0.08 0.00 1.00 0.00 0.00 62.75 63.54 1iyv n ILE 26 Cb 0.49 -1.30 -0.09 0.00 -0.71 0.00 0.00 39.64 38.02 1iyv n ILE 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1iyv s GLU 27 N -2.76 0.67 -1.30 0.38 1.03 -1.26 -4.32 118.70 111.14 1iyv s GLU 27 Ca 0.09 -1.12 -0.17 0.00 0.03 0.00 0.00 54.97 53.81 1iyv s GLU 27 Cb -0.01 0.25 0.08 0.00 -0.80 0.00 0.00 34.13 33.66 1iyv s GLU 27 CO 0.06 -0.16 1.74 1.55 -1.33 0.00 0.00 175.26 177.13 1iyv n VAL 28 N 0.10 3.96 0.00 1.83 3.14 -1.26 -3.43 118.33 122.67 1iyv n VAL 28 Ca -0.15 -4.11 0.00 0.00 -2.96 0.00 0.00 64.34 57.13 1iyv n VAL 28 Cb 0.61 -2.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.01 1iyv n VAL 28 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1iyv n GLU 29 N 7.78 0.00 -1.57 1.45 -0.58 -1.26 -5.06 120.64 121.40 1iyv n GLU 29 Ca 0.48 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.88 1iyv n GLU 29 Cb 0.45 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.39 1iyv n GLU 29 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1iyv s GLN 30 N 0.00 2.48 0.83 3.49 0.74 -1.22 -4.86 119.66 121.12 1iyv s GLN 30 Ca 0.00 1.48 -0.12 0.00 0.05 0.00 0.00 55.36 56.77 1iyv s GLN 30 Cb 0.00 -1.90 0.09 0.00 1.10 0.00 0.00 33.01 32.30 1iyv s GLN 30 CO 0.00 -1.51 1.14 0.20 -0.55 0.00 0.00 175.29 174.57 1iyv s GLY 31 N -2.51 1.60 0.00 2.59 0.00 -1.26 -2.19 107.32 105.54 1iyv s GLY 31 Ca 0.68 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1iyv s GLY 31 CO 0.45 -0.00 0.00 -0.10 0.00 0.00 0.00 173.10 173.44 1iyv n LEU 32 N -3.46 1.50 -3.84 0.66 0.00 0.55 -4.40 117.00 108.01 1iyv n LEU 32 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.99 1iyv n LEU 32 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.97 1iyv n LEU 32 CO 0.57 0.24 0.26 0.68 0.00 0.00 0.00 177.39 179.13 1iyv s VAL 33 N -1.55 0.02 -0.34 1.96 -7.23 -0.32 -3.44 120.40 109.51 1iyv s VAL 33 Ca 0.00 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1iyv s VAL 33 Cb 0.00 -1.82 0.11 0.00 0.56 0.00 0.00 36.38 35.24 1iyv s VAL 33 CO 0.00 -0.08 0.15 -0.69 -0.31 0.00 0.00 175.10 174.16 1iyv s VAL 34 N -3.92 0.64 0.41 1.32 1.01 -1.21 -1.56 120.40 117.09 1iyv s VAL 34 Ca 0.13 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.62 1iyv s VAL 34 Cb -0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1iyv s VAL 34 CO 0.02 -0.78 0.61 -0.76 0.00 0.00 0.00 175.10 174.19 1iyv s LEU 35 N 1.41 3.77 0.48 3.92 1.43 -0.93 -2.04 118.68 126.72 1iyv s LEU 35 Ca 0.12 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 1iyv s LEU 35 Cb -0.19 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.93 1iyv s LEU 35 CO -0.19 -0.59 0.49 -0.70 0.23 0.00 0.00 176.35 175.60 1iyv s GLU 36 N -4.45 2.45 0.16 1.70 2.12 -0.89 -2.25 118.70 117.54 1iyv s GLU 36 Ca 0.46 -1.64 0.03 0.00 0.36 0.00 0.00 54.97 54.17 1iyv s GLU 36 Cb -0.10 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1iyv s GLU 36 CO 0.36 -0.44 0.09 0.43 -0.54 0.00 0.00 175.26 175.16 1iyv n SER 37 N -1.78 0.38 -0.32 -1.70 7.64 -1.00 -3.72 113.62 113.13 1iyv n SER 37 Ca 0.05 -1.94 0.18 0.00 1.01 0.00 0.00 58.87 58.18 1iyv n SER 37 Cb 0.62 0.58 0.38 0.00 -1.01 0.00 0.00 64.21 64.78 1iyv n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyv h ALA 38 N 1.37 1.58 -0.02 -0.43 0.00 -1.89 -3.28 119.26 116.60 1iyv h ALA 38 Ca -0.12 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1iyv h ALA 38 Cb 0.52 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 1iyv h ALA 38 CO 0.18 -0.53 -0.32 1.17 0.00 0.00 0.00 179.25 179.75 1iyv n LYS 39 N -5.17 1.36 0.00 0.00 4.81 -1.26 -5.13 118.16 112.77 1iyv n LYS 39 Ca 0.26 -1.33 0.00 0.00 -0.87 0.00 0.00 58.31 56.37 1iyv n LYS 39 Cb 0.83 0.32 0.00 0.00 0.02 0.00 0.00 35.03 36.20 1iyv n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iyv n ALA 40 N -1.47 0.00 -3.20 3.14 0.00 -1.24 -5.16 120.51 112.59 1iyv n ALA 40 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1iyv n ALA 40 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 1iyv n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1iyv s SER 41 N 1.55 -1.01 0.05 0.00 0.01 -1.26 -2.36 113.70 110.68 1iyv s SER 41 Ca 0.00 0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.79 1iyv s SER 41 Cb 0.00 1.87 -0.04 0.00 0.21 0.00 0.00 66.02 68.06 1iyv s SER 41 CO 0.00 -0.28 0.20 -0.32 0.41 0.00 0.00 173.24 173.25 1iyv s MET 42 N 2.77 3.42 0.33 12.44 1.75 -0.96 -4.99 119.30 134.07 1iyv s MET 42 Ca 0.16 -0.44 0.09 0.00 -1.25 0.00 0.00 55.69 54.25 1iyv s MET 42 Cb -0.14 -3.03 -0.05 0.00 2.84 0.00 0.00 34.83 34.45 1iyv s MET 42 CO -0.22 0.61 0.08 -1.21 -0.65 0.00 0.00 175.02 173.64 1iyv s GLU 43 N -2.46 2.27 -0.27 4.11 2.02 -1.26 -2.18 118.70 120.92 1iyv s GLU 43 Ca 0.34 -1.60 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 1iyv s GLU 43 Cb -0.13 -2.09 0.11 0.00 0.10 0.00 0.00 34.13 32.12 1iyv s GLU 43 CO 0.27 0.14 0.21 0.08 0.02 0.00 0.00 175.26 175.99 1iyv s VAL 44 N -2.45 -0.25 0.00 2.63 1.01 -0.60 -4.96 120.40 115.78 1iyv s VAL 44 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1iyv s VAL 44 Cb -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1iyv s VAL 44 CO 0.21 -0.52 0.00 -0.81 0.00 0.00 0.00 175.10 173.98 1iyv n PRO 45 N 5.29 -0.12 -2.89 2.72 -0.04 -1.26 -0.33 135.00 138.37 1iyv n PRO 45 Ca -0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 1iyv n PRO 45 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 1iyv n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iyv s SER 46 N -1.14 6.74 0.00 3.54 0.15 -0.93 -4.38 113.70 117.68 1iyv s SER 46 Ca 0.00 0.80 0.19 0.00 0.70 0.00 0.00 55.95 57.64 1iyv s SER 46 Cb 0.00 -2.43 1.15 0.00 -1.71 0.00 0.00 66.02 63.03 1iyv s SER 46 CO 0.00 -0.63 1.68 -0.81 1.20 0.00 0.00 173.24 174.67 1iyv n PRO 47 N 6.26 0.91 -3.64 5.44 -0.04 -1.26 -4.33 135.00 138.34 1iyv n PRO 47 Ca 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1iyv n PRO 47 Cb 0.48 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1iyv n PRO 47 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1iyv s LYS 48 N -2.00 0.72 -1.02 0.54 2.47 -1.26 -5.06 119.74 114.13 1iyv s LYS 48 Ca 0.29 1.20 -0.20 0.00 -1.56 0.00 0.00 55.97 55.69 1iyv s LYS 48 Cb 0.13 0.17 0.09 0.00 -1.46 0.00 0.00 37.83 36.76 1iyv s LYS 48 CO 0.22 -0.14 1.35 0.00 0.16 0.00 0.00 175.35 176.94 1iyv s ALA 49 N 1.49 3.12 0.00 3.13 0.00 -1.26 -4.67 121.76 123.57 1iyv s ALA 49 Ca -0.09 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.27 1iyv s ALA 49 Cb -0.05 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1iyv s ALA 49 CO -0.17 -3.28 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1iyv n GLY 50 N 6.01 5.38 3.38 0.00 0.00 -1.26 -4.90 105.19 113.80 1iyv n GLY 50 Ca 0.31 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1iyv n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyv s VAL 51 N 0.52 3.13 0.08 1.61 0.11 -1.22 -1.69 120.40 122.95 1iyv s VAL 51 Ca 0.00 -0.63 -0.34 0.00 -2.93 0.00 0.00 61.98 58.08 1iyv s VAL 51 Cb 0.00 -2.32 -0.13 0.00 -1.53 0.00 0.00 36.38 32.40 1iyv s VAL 51 CO 0.00 0.52 1.68 0.52 -3.33 0.00 0.00 175.10 174.50 1iyv n VAL 52 N 3.52 0.20 -0.04 2.04 0.31 -1.03 -2.33 118.33 121.00 1iyv n VAL 52 Ca -0.18 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 63.90 1iyv n VAL 52 Cb 0.53 -1.67 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1iyv n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1iyv n LYS 53 N 4.52 0.67 -3.64 5.55 0.00 -0.53 -1.23 118.16 123.50 1iyv n LYS 53 Ca 0.19 0.41 -0.06 0.00 0.00 0.00 0.00 58.31 58.85 1iyv n LYS 53 Cb 0.30 -1.73 -0.07 0.00 0.00 0.00 0.00 35.03 33.53 1iyv n LYS 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1iyv s SER 54 N -6.97 -0.32 -0.31 3.14 1.04 -1.26 -4.79 113.70 104.23 1iyv s SER 54 Ca -0.25 0.60 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 1iyv s SER 54 Cb 0.06 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 1iyv s SER 54 CO 0.69 -0.10 0.52 -0.69 0.98 0.00 0.00 173.24 174.63 1iyv s VAL 55 N 0.33 5.03 -1.48 5.02 1.01 -1.26 -3.57 120.40 125.47 1iyv s VAL 55 Ca 0.03 0.59 0.12 0.00 0.00 0.00 0.00 61.98 62.72 1iyv s VAL 55 Cb -0.05 -3.91 0.44 0.00 0.00 0.00 0.00 36.38 32.87 1iyv s VAL 55 CO -0.10 -0.09 1.31 -1.54 0.00 0.00 0.00 175.10 174.68 1iyv n SER 56 N 5.67 2.97 -3.99 3.32 3.41 -1.04 -4.90 113.62 119.06 1iyv n SER 56 Ca -0.04 -2.20 -0.13 0.00 -0.26 0.00 0.00 58.87 56.23 1iyv n SER 56 Cb 0.49 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 1iyv n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iyv s VAL 57 N -1.64 0.00 0.02 -3.33 -7.23 -1.25 -4.98 120.40 102.00 1iyv s VAL 57 Ca 0.32 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1iyv s VAL 57 Cb 0.19 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1iyv s VAL 57 CO 0.17 0.00 -0.00 -0.75 -0.31 0.00 0.00 175.10 174.20 1iyv s LYS 58 N -3.98 0.39 0.35 4.82 2.20 -1.26 -5.09 119.74 117.17 1iyv s LYS 58 Ca 0.38 -0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 55.03 1iyv s LYS 58 Cb 0.05 0.14 -0.12 0.00 -1.51 0.00 0.00 37.83 36.40 1iyv s LYS 58 CO 0.15 -0.07 1.35 1.47 -0.36 0.00 0.00 175.35 177.89 1iyv n LEU 59 N 1.32 3.89 0.00 5.43 -0.00 -1.26 -1.30 117.00 125.08 1iyv n LEU 59 Ca -0.22 1.21 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 1iyv n LEU 59 Cb 0.56 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 1iyv n LEU 59 CO 0.21 -0.30 0.00 0.61 -0.00 0.00 0.00 177.39 177.91 1iyv n GLY 60 N 0.71 1.33 3.58 1.47 0.00 -1.08 -4.94 105.19 106.26 1iyv n GLY 60 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1iyv n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iyv n ASP 61 N 0.00 -1.94 -3.51 1.61 9.92 -0.42 -4.75 116.55 117.46 1iyv n ASP 61 Ca 0.00 -1.20 -0.07 0.00 -0.53 0.00 0.00 54.79 52.99 1iyv n ASP 61 Cb 0.00 -1.02 -0.08 0.00 -0.64 0.00 0.00 41.12 39.38 1iyv n ASP 61 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1iyv s LYS 62 N -5.55 0.37 0.21 -1.24 -2.85 -1.26 -1.09 119.74 108.33 1iyv s LYS 62 Ca 0.72 0.90 0.02 0.00 -1.00 0.00 0.00 55.97 56.61 1iyv s LYS 62 Cb -0.07 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1iyv s LYS 62 CO 0.55 -0.41 0.08 1.28 0.10 0.00 0.00 175.35 176.95 1iyv n LEU 63 N 5.39 0.00 -4.39 2.77 4.32 -0.90 -4.98 117.00 119.22 1iyv n LEU 63 Ca -0.06 -1.66 -0.30 0.00 -0.02 0.00 0.00 56.01 53.97 1iyv n LEU 63 Cb 0.50 0.57 -0.14 0.00 -1.62 0.00 0.00 43.42 42.73 1iyv n LEU 63 CO 0.02 -0.26 -0.54 -0.75 -1.22 0.00 0.00 177.39 174.64 1iyv s LYS 64 N -2.82 1.90 0.26 3.23 2.20 -1.26 -2.53 119.74 120.73 1iyv s LYS 64 Ca 0.12 -1.06 -0.27 0.00 -0.36 0.00 0.00 55.97 54.40 1iyv s LYS 64 Cb 0.01 -2.06 -0.16 0.00 -1.51 0.00 0.00 37.83 34.11 1iyv s LYS 64 CO 0.08 0.52 0.59 -0.85 -0.36 0.00 0.00 175.35 175.33 1iyv n GLU 65 N 1.69 0.35 0.00 4.03 0.28 -1.26 -1.62 120.64 124.12 1iyv n GLU 65 Ca -0.17 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1iyv n GLU 65 Cb 0.52 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1iyv n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iyv n GLY 66 N 1.84 3.14 3.74 -1.84 0.00 -1.21 -4.95 105.19 105.91 1iyv n GLY 66 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1iyv n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 67 N -0.65 7.52 1.17 1.61 1.01 -0.64 -4.67 116.67 122.02 1iyv s ASP 67 Ca 0.00 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.07 1iyv s ASP 67 Cb 0.00 -2.61 0.22 0.00 1.01 0.00 0.00 42.92 41.54 1iyv s ASP 67 CO 0.00 0.02 0.55 0.00 0.21 0.00 0.00 175.17 175.95 1iyv n ALA 68 N 1.89 -3.63 0.14 5.23 0.00 -1.26 -1.62 120.51 121.25 1iyv n ALA 68 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1iyv n ALA 68 Cb 0.47 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1iyv n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1iyv n ILE 69 N -4.81 0.05 -3.97 0.00 2.08 0.27 -4.63 119.36 108.36 1iyv n ILE 69 Ca 0.01 0.02 -0.07 0.00 0.56 0.00 0.00 62.75 63.27 1iyv n ILE 69 Cb 0.58 -0.55 -0.02 0.00 -0.75 0.00 0.00 39.64 38.90 1iyv n ILE 69 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1iyv n ILE 70 N -3.46 0.00 -3.65 1.39 -5.35 -1.20 -2.48 119.36 104.61 1iyv n ILE 70 Ca 0.00 -0.84 -0.24 0.00 -0.27 0.00 0.00 62.75 61.40 1iyv n ILE 70 Cb 0.00 0.45 -0.17 0.00 -1.74 0.00 0.00 39.64 38.18 1iyv n ILE 70 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1iyv s GLU 71 N -2.44 0.13 -0.26 6.28 2.02 -1.23 -2.23 118.70 120.97 1iyv s GLU 71 Ca 0.14 0.01 -0.20 0.00 0.02 0.00 0.00 54.97 54.93 1iyv s GLU 71 Cb 0.00 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 1iyv s GLU 71 CO 0.10 -0.56 0.61 -1.17 0.02 0.00 0.00 175.26 174.26 1iyv s LEU 72 N 2.10 4.06 -0.53 1.80 1.98 -1.04 -1.45 118.68 125.61 1iyv s LEU 72 Ca 0.03 0.67 -0.04 0.00 -2.89 0.00 0.00 54.13 51.90 1iyv s LEU 72 Cb -0.15 -2.83 0.14 0.00 0.66 0.00 0.00 46.19 44.01 1iyv s LEU 72 CO -0.07 -0.36 0.36 -0.70 -1.89 0.00 0.00 176.35 173.68 1iyv s GLU 73 N 2.48 2.40 0.93 1.98 2.12 -0.98 -2.24 118.70 125.39 1iyv s GLU 73 Ca 0.25 -2.15 -0.14 0.00 0.36 0.00 0.00 54.97 53.29 1iyv s GLU 73 Cb -0.15 -3.75 0.16 0.00 0.26 0.00 0.00 34.13 30.65 1iyv s GLU 73 CO 0.09 -1.15 1.21 -1.25 -0.54 0.00 0.00 175.26 173.62 1iyv s PRO 74 N 0.61 0.96 0.27 4.30 0.04 -1.26 -3.37 135.00 136.54 1iyv s PRO 74 Ca 0.12 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 60.92 1iyv s PRO 74 Cb -0.22 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1iyv s PRO 74 CO -0.04 -2.25 0.94 0.00 0.04 0.00 0.00 177.00 175.69 1iyv n ALA 75 N -3.74 -2.33 0.10 8.56 0.00 -1.26 -4.84 120.51 117.01 1iyv n ALA 75 Ca 0.11 -1.12 -0.23 0.00 0.00 0.00 0.00 53.44 52.20 1iyv n ALA 75 Cb 0.60 0.74 -0.15 0.00 0.00 0.00 0.00 19.45 20.64 1iyv n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyv h ALA 76 N 2.00 -0.11 -1.90 0.00 0.00 -2.04 -3.45 119.26 113.76 1iyv h ALA 76 Ca -0.30 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 53.76 1iyv h ALA 76 Cb 1.21 0.14 -0.27 0.00 0.00 0.00 0.00 17.79 18.87 1iyv h ALA 76 CO 0.39 0.58 -0.39 0.20 0.00 0.00 0.00 179.25 180.03 1iyv s GLY 77 N -4.49 -0.53 0.00 0.00 0.00 -1.26 -5.07 107.32 95.97 1iyv s GLY 77 Ca -0.11 1.35 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1iyv s GLY 77 CO 0.91 2.76 0.79 0.00 0.00 0.00 0.00 173.10 177.55 1iyv n ALA 78 N 5.39 -0.09 -0.17 3.20 0.00 -1.26 -5.26 120.51 122.33 1iyv n ALA 78 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1iyv n ALA 78 Cb 0.50 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1iyv n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04