#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 3.32 -0.07 4.33 8.01 -1.09 -4.90 118.70 128.29 1iyv s GLU 2 Ca 0.00 -0.06 0.01 0.00 0.01 0.00 0.00 54.97 54.92 1iyv s GLU 2 Cb 0.00 -2.44 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1iyv s GLU 2 CO 0.00 -0.26 -0.07 0.42 0.01 0.00 0.00 175.26 175.36 1iyv s ILE 3 N -2.68 3.65 -0.08 -1.63 1.09 -1.26 -2.67 121.20 117.62 1iyv s ILE 3 Ca 0.48 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.54 1iyv s ILE 3 Cb -0.10 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.78 1iyv s ILE 3 CO 0.42 0.59 -0.08 -0.63 -0.10 0.00 0.00 174.94 175.14 1iyv s ILE 4 N -0.72 3.57 0.35 2.92 1.01 -0.99 -5.02 121.20 122.31 1iyv s ILE 4 Ca 0.11 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1iyv s ILE 4 Cb -0.11 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 1iyv s ILE 4 CO 0.02 0.58 -0.05 0.00 0.00 0.00 0.00 174.94 175.49 1iyv s ARG 5 N -0.60 1.80 0.34 2.79 1.70 -1.26 -1.25 118.95 122.47 1iyv s ARG 5 Ca 0.09 -1.96 -0.26 0.00 -0.47 0.00 0.00 55.73 53.13 1iyv s ARG 5 Cb -0.12 -1.53 -0.13 0.00 -0.57 0.00 0.00 34.95 32.60 1iyv s ARG 5 CO 0.02 0.05 0.84 0.28 -1.08 0.00 0.00 175.30 175.40 1iyv n VAL 6 N -0.80 2.03 -1.03 4.99 0.31 -0.66 -4.91 118.33 118.26 1iyv n VAL 6 Ca -0.05 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.74 1iyv n VAL 6 Cb 0.65 -0.80 0.03 0.00 -0.91 0.00 0.00 33.84 32.80 1iyv n VAL 6 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1iyv n PRO 7 N 0.60 -0.41 -2.76 5.55 -0.04 -1.26 -3.99 135.00 132.70 1iyv n PRO 7 Ca 0.11 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 1iyv n PRO 7 Cb 0.35 -0.21 -0.04 0.00 -0.04 0.00 0.00 33.50 33.56 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 -1.76 6.22 -0.12 3.54 2.15 -1.26 -4.71 116.67 120.73 1iyv s ASP 8 Ca 0.11 -0.65 0.16 0.00 0.43 0.00 0.00 52.55 52.60 1iyv s ASP 8 Cb -0.00 -2.47 -0.24 0.00 -0.30 0.00 0.00 42.92 39.91 1iyv s ASP 8 CO 0.08 -1.51 0.19 2.30 -0.17 0.00 0.00 175.17 176.06 1iyv n ILE 9 N 6.14 0.75 -0.32 4.11 -5.35 -1.26 -5.01 119.36 118.42 1iyv n ILE 9 Ca -0.00 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1iyv n ILE 9 Cb 0.47 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.77 1.39 0.00 3.28 0.00 -1.26 -4.97 105.19 105.39 1iyv n GLY 10 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.54 -0.14 3.63 -0.02 0.00 -1.26 -5.13 105.19 101.72 1iyv n GLY 11 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1iyv n GLY 11 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iyv s ASP 12 N -4.00 4.02 -0.13 1.61 1.47 -1.26 -3.56 116.67 114.82 1iyv s ASP 12 Ca 0.00 -1.21 -0.06 0.00 1.18 0.00 0.00 52.55 52.45 1iyv s ASP 12 Cb 0.00 -0.43 0.05 0.00 -0.34 0.00 0.00 42.92 42.20 1iyv s ASP 12 CO 0.00 -0.39 0.30 -0.83 0.68 0.00 0.00 175.17 174.93 1iyv s GLY 13 N -3.73 -0.20 -0.01 2.12 0.00 -1.12 -4.77 107.32 99.60 1iyv s GLY 13 Ca 0.36 1.15 -0.20 0.00 0.00 0.00 0.00 44.72 46.03 1iyv s GLY 13 CO 0.19 1.49 0.58 1.85 0.00 0.00 0.00 173.10 177.21 1iyv s GLU 14 N 1.47 4.30 0.63 2.90 -6.30 -0.96 -1.84 118.70 118.90 1iyv s GLU 14 Ca -0.08 0.70 -0.14 0.00 -2.50 0.00 0.00 54.97 52.95 1iyv s GLU 14 Cb -0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 34.13 30.66 1iyv s GLU 14 CO -0.10 0.36 1.06 0.08 0.02 0.00 0.00 175.26 176.67 1iyv s VAL 15 N -0.14 3.91 0.02 3.70 1.01 -0.94 -1.19 120.40 126.78 1iyv s VAL 15 Ca 0.30 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 1iyv s VAL 15 Cb -0.18 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1iyv s VAL 15 CO 0.16 -0.64 -0.08 -0.38 0.00 0.00 0.00 175.10 174.17 1iyv n ILE 16 N -2.41 1.15 -3.73 2.22 2.08 -0.15 -4.12 119.36 114.41 1iyv n ILE 16 Ca 0.08 0.28 -0.10 0.00 0.56 0.00 0.00 62.75 63.58 1iyv n ILE 16 Cb 0.53 -1.73 -0.05 0.00 -0.75 0.00 0.00 39.64 37.64 1iyv n ILE 16 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1iyv s GLU 17 N -2.19 1.14 -0.28 0.38 2.56 -1.26 -4.47 118.70 114.58 1iyv s GLU 17 Ca -0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 54.97 54.06 1iyv s GLU 17 Cb 0.01 0.46 0.04 0.00 2.00 0.00 0.00 34.13 36.65 1iyv s GLU 17 CO 0.10 -0.45 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.14 1iyv s LEU 18 N -2.85 3.59 -0.39 2.70 2.96 -1.26 -3.54 118.68 119.88 1iyv s LEU 18 Ca 0.07 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.81 1iyv s LEU 18 Cb 0.02 -1.66 0.46 0.00 0.50 0.00 0.00 46.19 45.50 1iyv s LEU 18 CO -0.08 -0.21 1.79 0.00 -1.32 0.00 0.00 176.35 176.54 1iyv n LEU 19 N 4.60 6.22 -3.99 -0.68 -0.00 -1.23 -4.90 117.00 117.02 1iyv n LEU 19 Ca -0.14 -3.31 -0.09 0.00 -0.00 0.00 0.00 56.01 52.47 1iyv n LEU 19 Cb 0.44 -0.83 -0.08 0.00 -0.00 0.00 0.00 43.42 42.94 1iyv n LEU 19 CO 0.25 1.05 -0.19 0.68 -0.00 0.00 0.00 177.39 179.18 1iyv s VAL 20 N -2.84 0.14 0.29 1.47 -7.23 -1.26 -4.99 120.40 105.98 1iyv s VAL 20 Ca 0.45 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1iyv s VAL 20 Cb 0.37 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1iyv s VAL 20 CO 0.06 -0.64 0.14 0.29 -0.31 0.00 0.00 175.10 174.63 1iyv n LYS 21 N -0.05 0.57 -2.85 4.82 4.01 -1.26 -5.10 118.16 118.29 1iyv n LYS 21 Ca -0.12 -2.52 -0.38 0.00 -0.51 0.00 0.00 58.31 54.78 1iyv n LYS 21 Cb 0.62 1.56 -0.06 0.00 -0.51 0.00 0.00 35.03 36.64 1iyv n LYS 21 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1iyv s THR 22 N -2.77 4.26 0.00 -0.18 2.01 -1.26 -3.33 115.64 114.36 1iyv s THR 22 Ca 0.19 1.77 0.00 0.00 0.31 0.00 0.00 61.69 63.97 1iyv s THR 22 Cb 0.01 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1iyv s THR 22 CO 0.14 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1iyv n GLY 23 N 0.85 0.84 3.78 4.40 0.00 -0.41 -4.90 105.19 109.75 1iyv n GLY 23 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.74 7.32 -0.40 1.61 1.01 -1.21 -4.58 116.67 117.68 1iyv s ASP 24 Ca 0.00 1.56 -0.12 0.00 0.71 0.00 0.00 52.55 54.70 1iyv s ASP 24 Cb 0.00 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1iyv s ASP 24 CO 0.00 0.20 0.25 -0.22 0.21 0.00 0.00 175.17 175.61 1iyv s LEU 25 N -1.03 4.94 0.00 1.23 0.20 -1.26 -1.22 118.68 121.54 1iyv s LEU 25 Ca 0.35 -1.07 -0.00 0.00 0.69 0.00 0.00 54.13 54.09 1iyv s LEU 25 Cb -0.22 -2.06 0.02 0.00 -0.43 0.00 0.00 46.19 43.50 1iyv s LEU 25 CO 0.25 -0.44 0.15 -0.38 -0.29 0.00 0.00 176.35 175.63 1iyv n ILE 26 N 5.04 0.00 -4.28 6.68 -0.00 -0.73 -4.91 119.36 121.16 1iyv n ILE 26 Ca -0.11 -0.21 -0.18 0.00 -0.00 0.00 0.00 62.75 62.25 1iyv n ILE 26 Cb 0.46 -1.42 -0.07 0.00 -0.00 0.00 0.00 39.64 38.61 1iyv n ILE 26 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1iyv n GLU 27 N -1.29 0.40 -2.24 0.38 0.28 -1.26 -3.68 120.64 113.24 1iyv n GLU 27 Ca 0.02 -2.86 -0.43 0.00 -0.16 0.00 0.00 57.16 53.73 1iyv n GLU 27 Cb 0.08 2.20 0.00 0.00 1.43 0.00 0.00 31.44 35.15 1iyv n GLU 27 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1iyv n VAL 28 N -0.59 3.83 0.00 3.84 3.14 -1.26 -3.90 118.33 123.39 1iyv n VAL 28 Ca 0.04 -3.76 0.00 0.00 -2.96 0.00 0.00 64.34 57.66 1iyv n VAL 28 Cb 0.52 -2.47 0.00 0.00 -1.06 0.00 0.00 33.84 30.83 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 6.56 0.00 -1.47 1.45 1.02 -1.26 -5.05 120.64 121.89 1iyv n GLU 29 Ca 0.48 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 57.16 1iyv n GLU 29 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1iyv n GLU 29 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1iyv n GLN 30 N 0.00 0.56 -1.16 3.49 7.27 -1.25 -4.65 117.38 121.65 1iyv n GLN 30 Ca 0.00 0.20 -0.30 0.00 0.07 0.00 0.00 57.00 56.97 1iyv n GLN 30 Cb 0.00 -1.37 0.24 0.00 2.41 0.00 0.00 30.24 31.52 1iyv n GLN 30 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1iyv s GLY 31 N -0.83 1.61 0.00 1.69 0.00 -1.26 -1.75 107.32 106.77 1iyv s GLY 31 Ca 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1iyv s GLY 31 CO 0.58 -0.13 0.00 -0.10 0.00 0.00 0.00 173.10 173.45 1iyv n LEU 32 N -4.72 0.00 -3.69 0.66 7.94 -0.14 -4.32 117.00 112.72 1iyv n LEU 32 Ca 0.14 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.92 1iyv n LEU 32 Cb 0.60 0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.49 1iyv n LEU 32 CO 0.44 -0.11 0.11 0.68 -1.11 0.00 0.00 177.39 177.40 1iyv s VAL 33 N -1.22 0.07 -0.32 1.96 -7.23 -0.75 -3.49 120.40 109.42 1iyv s VAL 33 Ca 0.00 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1iyv s VAL 33 Cb 0.00 -0.97 0.06 0.00 0.56 0.00 0.00 36.38 36.03 1iyv s VAL 33 CO 0.00 -0.30 0.03 -0.69 -0.31 0.00 0.00 175.10 173.83 1iyv s VAL 34 N -2.63 2.98 0.53 1.32 1.01 -1.23 -1.51 120.40 120.87 1iyv s VAL 34 Ca -0.04 -1.55 0.06 0.00 0.00 0.00 0.00 61.98 60.44 1iyv s VAL 34 Cb -0.01 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.67 1iyv s VAL 34 CO -0.04 -0.23 0.74 0.18 0.00 0.00 0.00 175.10 175.75 1iyv n LEU 35 N 4.59 0.00 -3.78 3.92 4.32 -1.10 -0.98 117.00 123.97 1iyv n LEU 35 Ca -0.10 -2.08 -0.13 0.00 -0.02 0.00 0.00 56.01 53.67 1iyv n LEU 35 Cb 0.43 -0.42 -0.11 0.00 -1.62 0.00 0.00 43.42 41.70 1iyv n LEU 35 CO 0.27 -0.74 -0.07 -0.70 -1.22 0.00 0.00 177.39 174.93 1iyv s GLU 36 N -4.39 0.32 0.44 3.23 2.12 -0.34 -3.53 118.70 116.55 1iyv s GLU 36 Ca 0.54 0.37 0.05 0.00 0.36 0.00 0.00 54.97 56.29 1iyv s GLU 36 Cb -0.04 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.56 1iyv s GLU 36 CO 0.35 -0.04 0.41 -1.13 -0.54 0.00 0.00 175.26 174.31 1iyv n SER 37 N 2.92 2.19 -0.05 -1.70 3.41 -1.05 -2.27 113.62 117.06 1iyv n SER 37 Ca -0.13 -2.42 -0.07 0.00 -0.26 0.00 0.00 58.87 56.00 1iyv n SER 37 Cb 0.58 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1iyv n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iyv h ALA 38 N 0.55 -0.55 -1.79 7.33 0.00 -2.02 -3.28 119.26 119.50 1iyv h ALA 38 Ca -0.26 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.13 1iyv h ALA 38 Cb 1.00 0.87 -0.41 0.00 0.00 0.00 0.00 17.79 19.25 1iyv h ALA 38 CO 0.40 -0.67 -0.93 1.63 0.00 0.00 0.00 179.25 179.68 1iyv n LYS 39 N -3.91 2.23 -0.24 0.00 4.01 -1.26 -5.06 118.16 113.93 1iyv n LYS 39 Ca -0.02 -4.06 0.00 0.00 -0.51 0.00 0.00 58.31 53.72 1iyv n LYS 39 Cb 0.16 -1.90 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 1iyv n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1iyv n ALA 40 N -0.11 0.00 -3.25 7.82 0.00 -1.24 -5.18 120.51 118.55 1iyv n ALA 40 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1iyv n ALA 40 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 1iyv n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iyv s SER 41 N 1.53 -0.22 -0.25 0.00 0.15 -1.26 -2.54 113.70 111.10 1iyv s SER 41 Ca 0.00 0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 1iyv s SER 41 Cb 0.00 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 1iyv s SER 41 CO 0.00 -0.45 0.26 -0.04 1.20 0.00 0.00 173.24 174.21 1iyv s MET 42 N -1.28 0.26 0.81 5.44 -1.94 -1.23 -4.87 119.30 116.49 1iyv s MET 42 Ca -0.13 -0.00 -0.11 0.00 -1.71 0.00 0.00 55.69 53.74 1iyv s MET 42 Cb -0.05 -0.90 0.10 0.00 2.01 0.00 0.00 34.83 36.00 1iyv s MET 42 CO 0.04 -0.86 1.16 -1.21 -0.01 0.00 0.00 175.02 174.14 1iyv s GLU 43 N 2.34 1.74 -0.30 2.03 2.02 -1.26 -2.70 118.70 122.56 1iyv s GLU 43 Ca 0.09 -0.15 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 1iyv s GLU 43 Cb -0.15 -2.00 0.13 0.00 0.10 0.00 0.00 34.13 32.21 1iyv s GLU 43 CO -0.24 -1.67 0.28 0.08 0.02 0.00 0.00 175.26 173.73 1iyv s VAL 44 N -3.54 -0.34 0.00 2.63 1.01 -0.57 -4.90 120.40 114.70 1iyv s VAL 44 Ca 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1iyv s VAL 44 Cb -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1iyv s VAL 44 CO 0.48 -0.53 0.00 -0.81 0.00 0.00 0.00 175.10 174.24 1iyv n PRO 45 N 5.13 -0.01 -2.85 2.72 -0.04 -1.26 -0.97 135.00 137.72 1iyv n PRO 45 Ca -0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 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 -1.12 6.62 0.00 3.54 0.15 -0.72 -4.51 113.70 117.65 1iyv s SER 46 Ca 0.00 0.45 0.20 0.00 0.70 0.00 0.00 55.95 57.30 1iyv s SER 46 Cb 0.00 -2.44 1.21 0.00 -1.71 0.00 0.00 66.02 63.07 1iyv s SER 46 CO 0.00 -0.86 1.71 -0.81 1.20 0.00 0.00 173.24 174.49 1iyv n PRO 47 N 6.74 0.90 -3.40 5.44 -0.04 -1.26 -4.16 135.00 139.23 1iyv n PRO 47 Ca 0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1iyv n PRO 47 Cb 0.48 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1iyv n PRO 47 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iyv s LYS 48 N -2.00 0.57 -0.76 0.54 1.02 -1.26 -5.04 119.74 112.82 1iyv s LYS 48 Ca 0.30 1.23 -0.26 0.00 0.02 0.00 0.00 55.97 57.27 1iyv s LYS 48 Cb 0.14 0.72 -0.11 0.00 -0.52 0.00 0.00 37.83 38.06 1iyv s LYS 48 CO 0.23 -0.41 2.31 0.00 -0.92 0.00 0.00 175.35 176.57 1iyv s ALA 49 N 2.88 1.04 0.07 5.17 0.00 -1.26 -4.75 121.76 124.92 1iyv s ALA 49 Ca 0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1iyv s ALA 49 Cb -0.14 -4.53 0.01 0.00 0.00 0.00 0.00 23.12 18.46 1iyv s ALA 49 CO -0.20 -5.45 0.13 0.41 0.00 0.00 0.00 175.76 170.65 1iyv n GLY 50 N 6.66 2.26 3.93 0.00 0.00 -1.24 -4.91 105.19 111.89 1iyv n GLY 50 Ca 0.43 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.70 5.20 0.18 1.61 0.11 -1.26 -1.78 120.40 121.77 1iyv s VAL 51 Ca 0.04 -0.77 -0.28 0.00 -2.93 0.00 0.00 61.98 58.03 1iyv s VAL 51 Cb -0.01 -3.69 -0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1iyv s VAL 51 CO 0.03 -0.12 0.89 -0.69 -3.33 0.00 0.00 175.10 171.88 1iyv s VAL 52 N -1.77 4.27 -0.04 2.04 1.01 -0.36 -2.04 120.40 123.51 1iyv s VAL 52 Ca 0.34 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 64.23 1iyv s VAL 52 Cb -0.11 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1iyv s VAL 52 CO 0.28 0.46 -0.08 1.17 0.00 0.00 0.00 175.10 176.93 1iyv n LYS 53 N 1.85 0.13 -4.02 2.72 3.00 -0.77 -1.28 118.16 119.78 1iyv n LYS 53 Ca -0.02 0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1iyv n LYS 53 Cb 0.48 -0.65 -0.12 0.00 0.00 0.00 0.00 35.03 34.74 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 -4.75 0.53 -0.16 3.14 1.04 -1.26 -4.73 113.70 107.52 1iyv s SER 54 Ca -0.07 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 1iyv s SER 54 Cb 0.01 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1iyv s SER 54 CO 0.10 -0.21 0.10 -0.69 0.98 0.00 0.00 173.24 173.52 1iyv s VAL 55 N -1.24 5.17 -0.50 5.02 1.01 -1.26 -3.13 120.40 125.46 1iyv s VAL 55 Ca -0.11 0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.08 1iyv s VAL 55 Cb -0.09 -3.30 0.33 0.00 0.00 0.00 0.00 36.38 33.32 1iyv s VAL 55 CO -0.00 0.51 1.26 -1.20 0.00 0.00 0.00 175.10 175.67 1iyv n SER 56 N 2.97 3.06 -4.13 3.32 7.64 -0.58 -5.00 113.62 120.91 1iyv n SER 56 Ca -0.17 -2.41 -0.09 0.00 1.01 0.00 0.00 58.87 57.20 1iyv n SER 56 Cb 0.53 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 1iyv n SER 56 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iyv s VAL 57 N -1.73 0.49 0.24 0.44 -7.23 -1.22 -4.84 120.40 106.55 1iyv s VAL 57 Ca 0.27 -1.78 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 1iyv s VAL 57 Cb 0.19 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1iyv s VAL 57 CO 0.10 -0.86 0.01 -0.75 -0.31 0.00 0.00 175.10 173.29 1iyv s LYS 58 N -3.58 2.35 0.14 4.82 2.20 -1.26 -5.10 119.74 119.31 1iyv s LYS 58 Ca 0.07 -1.32 -0.27 0.00 -0.36 0.00 0.00 55.97 54.09 1iyv s LYS 58 Cb 0.04 -2.23 -0.07 0.00 -1.51 0.00 0.00 37.83 34.06 1iyv s LYS 58 CO -0.06 0.39 0.84 -0.48 -0.36 0.00 0.00 175.35 175.68 1iyv s LEU 59 N -3.50 4.55 0.00 5.43 0.05 -1.26 -3.39 118.68 120.56 1iyv s LEU 59 Ca 0.30 1.68 0.00 0.00 0.05 0.00 0.00 54.13 56.17 1iyv s LEU 59 Cb -0.07 -3.40 0.00 0.00 -2.05 0.00 0.00 46.19 40.67 1iyv s LEU 59 CO 0.20 0.10 0.00 0.61 -0.55 0.00 0.00 176.35 176.71 1iyv n GLY 60 N 1.89 2.01 3.91 -3.48 0.00 -1.26 -5.04 105.19 103.23 1iyv n GLY 60 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1iyv n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iyv s ASP 61 N -1.88 5.01 -0.06 1.61 1.01 -1.22 -4.66 116.67 116.49 1iyv s ASP 61 Ca 0.00 0.68 -0.09 0.00 0.71 0.00 0.00 52.55 53.84 1iyv s ASP 61 Cb 0.00 -1.39 -0.05 0.00 1.01 0.00 0.00 42.92 42.49 1iyv s ASP 61 CO 0.00 -1.51 0.25 -0.54 0.21 0.00 0.00 175.17 173.58 1iyv s LYS 62 N -5.28 3.62 -0.19 8.23 1.02 -1.26 -2.21 119.74 123.68 1iyv s LYS 62 Ca 0.59 0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.64 1iyv s LYS 62 Cb -0.11 -3.18 0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1iyv s LYS 62 CO 0.47 0.73 -0.12 -0.51 -0.92 0.00 0.00 175.35 175.00 1iyv s LEU 63 N -1.17 2.17 0.05 3.17 1.43 -0.77 -4.97 118.68 118.59 1iyv s LEU 63 Ca 0.20 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 1iyv s LEU 63 Cb -0.14 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 1iyv s LEU 63 CO 0.09 -0.12 0.52 -0.75 0.23 0.00 0.00 176.35 176.32 1iyv s LYS 64 N 1.40 4.12 0.50 1.70 2.20 -1.26 -2.80 119.74 125.60 1iyv s LYS 64 Ca 0.00 0.64 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 1iyv s LYS 64 Cb -0.15 -3.24 -0.13 0.00 -1.51 0.00 0.00 37.83 32.79 1iyv s LYS 64 CO -0.09 0.64 0.12 -0.85 -0.36 0.00 0.00 175.35 174.81 1iyv n GLU 65 N 1.81 0.17 0.00 4.03 0.28 -1.23 -1.19 120.64 124.50 1iyv n GLU 65 Ca -0.11 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1iyv n GLU 65 Cb 0.51 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.17 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 2.24 2.44 3.78 -1.84 0.00 -1.26 -4.98 105.19 105.58 1iyv n GLY 66 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 7.33 1.42 1.61 1.01 -0.34 -4.87 116.67 120.74 1iyv s ASP 67 Ca 0.00 1.58 -0.23 0.00 0.71 0.00 0.00 52.55 54.61 1iyv s ASP 67 Cb 0.00 -2.47 0.35 0.00 1.01 0.00 0.00 42.92 41.81 1iyv s ASP 67 CO 0.00 0.22 0.88 0.00 0.21 0.00 0.00 175.17 176.48 1iyv n ALA 68 N 1.60 -4.63 -0.22 5.23 0.00 -1.26 -1.65 120.51 119.57 1iyv n ALA 68 Ca -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1iyv n ALA 68 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -5.50 0.00 -3.97 0.00 2.08 -0.38 -4.48 119.36 107.11 1iyv n ILE 69 Ca 0.14 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.40 1iyv n ILE 69 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.45 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 -2.17 0.00 -3.62 1.39 -5.35 -1.21 -1.52 119.36 106.88 1iyv n ILE 70 Ca 0.00 -0.59 -0.24 0.00 -0.27 0.00 0.00 62.75 61.65 1iyv n ILE 70 Cb 0.00 0.31 -0.17 0.00 -1.74 0.00 0.00 39.64 38.04 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 -2.31 0.04 0.10 6.28 2.02 -1.18 -2.35 118.70 121.28 1iyv s GLU 71 Ca 0.10 0.04 -0.17 0.00 0.02 0.00 0.00 54.97 54.95 1iyv s GLU 71 Cb 0.00 -1.51 -0.07 0.00 0.10 0.00 0.00 34.13 32.66 1iyv s GLU 71 CO 0.07 -0.59 0.55 -1.17 0.02 0.00 0.00 175.26 174.13 1iyv s LEU 72 N 2.16 4.45 -0.59 1.80 0.20 -1.09 -1.85 118.68 123.76 1iyv s LEU 72 Ca 0.03 1.16 -0.02 0.00 0.69 0.00 0.00 54.13 55.99 1iyv s LEU 72 Cb -0.15 -3.01 0.15 0.00 -0.43 0.00 0.00 46.19 42.75 1iyv s LEU 72 CO -0.08 0.21 0.39 -0.70 -0.29 0.00 0.00 176.35 175.89 1iyv s GLU 73 N -1.45 2.44 -0.32 1.98 2.12 -0.87 -2.65 118.70 119.95 1iyv s GLU 73 Ca 0.32 -2.45 -0.29 0.00 0.36 0.00 0.00 54.97 52.91 1iyv s GLU 73 Cb -0.17 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.55 1iyv s GLU 73 CO 0.18 -1.15 1.18 -1.25 -0.54 0.00 0.00 175.26 173.68 1iyv s PRO 74 N 0.07 3.97 0.00 4.30 0.04 -1.26 -4.07 135.00 138.05 1iyv s PRO 74 Ca 0.16 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1iyv s PRO 74 Cb -0.21 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1iyv s PRO 74 CO -0.03 -1.04 0.05 0.00 0.04 0.00 0.00 177.00 176.02 1iyv n ALA 75 N 7.29 0.00 -2.24 8.56 0.00 -1.26 -4.72 120.51 128.14 1iyv n ALA 75 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 1iyv n ALA 75 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 1iyv n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iyv s ALA 76 N -3.76 3.55 0.00 0.00 0.00 -1.26 -4.88 121.76 115.41 1iyv s ALA 76 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1iyv s ALA 76 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1iyv s ALA 76 CO 0.00 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.73 1iyv n GLY 77 N 4.03 4.02 2.94 0.00 0.00 -1.26 -5.06 105.19 109.86 1iyv n GLY 77 Ca 0.16 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1iyv n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iyv n ALA 78 N -3.00 4.66 1.82 4.61 0.00 -1.26 -5.27 120.51 122.07 1iyv n ALA 78 Ca 0.00 -4.76 0.15 0.00 0.00 0.00 0.00 53.44 48.83 1iyv n ALA 78 Cb 0.00 -1.98 0.79 0.00 0.00 0.00 0.00 19.45 18.27 1iyv n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04