#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oay s VAL 3 N 0.00 4.61 -0.51 0.00 1.01 -1.26 -4.79 120.40 119.46 1oay s VAL 3 Ca 0.00 1.94 -0.13 0.00 0.00 0.00 0.00 61.98 63.79 1oay s VAL 3 Cb 0.00 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.25 1oay s VAL 3 CO 0.00 0.31 0.42 -0.69 0.00 0.00 0.00 175.10 175.15 1oay s VAL 4 N 0.09 4.71 0.34 2.92 1.01 -1.13 -0.79 120.40 127.55 1oay s VAL 4 Ca 0.45 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 1oay s VAL 4 Cb -0.22 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1oay s VAL 4 CO 0.28 -0.83 0.90 -0.89 0.00 0.00 0.00 175.10 174.56 1oay s THR 5 N 1.47 4.34 0.00 3.92 2.01 2.43 -3.85 115.64 125.96 1oay s THR 5 Ca 0.04 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.66 1oay s THR 5 Cb -0.28 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1oay s THR 5 CO 0.01 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 1oay n GLN 6 N 0.22 0.00 -2.49 4.92 6.02 -1.26 3.46 117.38 128.25 1oay n GLN 6 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.76 1oay n GLN 6 Cb 0.51 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.81 1oay n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1oay s GLU 7 N -0.56 2.84 0.00 -1.09 8.01 -1.26 -4.86 118.70 121.78 1oay s GLU 7 Ca 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 54.97 54.82 1oay s GLU 7 Cb 0.00 -2.32 0.00 0.00 -4.31 0.00 0.00 34.13 27.50 1oay s GLU 7 CO 0.00 -0.69 0.00 0.45 0.01 0.00 0.00 175.26 175.03 1oay n SER 8 N -2.52 0.00 -3.15 -0.19 2.88 -1.26 -4.77 113.62 104.60 1oay n SER 8 Ca 0.05 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.62 1oay n SER 8 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 1oay n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1oay s ALA 9 N -0.02 -2.31 1.00 -1.46 0.00 -1.26 -4.92 121.76 112.80 1oay s ALA 9 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1oay s ALA 9 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1oay s ALA 9 CO 0.00 -1.58 0.00 1.28 0.00 0.00 0.00 175.76 175.46 1oay n LEU 10 N 5.42 0.00 -3.64 0.00 4.77 -1.26 -5.13 117.00 117.16 1oay n LEU 10 Ca 0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1oay n LEU 10 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1oay n LEU 10 CO -0.01 -0.11 0.47 -0.89 -1.33 0.00 0.00 177.39 175.51 1oay s THR 11 N -0.01 0.00 0.33 -5.08 2.01 -1.26 -5.19 115.64 106.44 1oay s THR 11 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 1oay s THR 11 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1oay s THR 11 CO 0.00 0.00 0.74 0.28 -0.69 0.00 0.00 174.62 174.95 1oay s THR 12 N 1.25 0.00 0.40 -0.82 -1.32 -1.26 -5.08 115.64 108.82 1oay s THR 12 Ca -0.07 -1.02 0.06 0.00 -1.21 0.00 0.00 61.69 59.45 1oay s THR 12 Cb -0.05 -2.42 -0.07 0.00 -1.51 0.00 0.00 72.50 68.46 1oay s THR 12 CO -0.14 0.00 0.02 -0.44 -2.21 0.00 0.00 174.62 171.85 1oay s SER 13 N -3.00 3.58 0.17 8.08 0.01 -1.26 -5.09 113.70 116.20 1oay s SER 13 Ca 0.14 -1.41 -0.31 0.00 1.31 0.00 0.00 55.95 55.67 1oay s SER 13 Cb -0.05 -0.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.88 1oay s SER 13 CO 0.09 -0.54 1.41 -2.84 0.41 0.00 0.00 173.24 171.77 1oay s PRO 14 N -3.77 4.31 0.00 12.44 0.02 -1.26 -2.81 135.00 143.93 1oay s PRO 14 Ca 0.32 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1oay s PRO 14 Cb 0.09 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1oay s PRO 14 CO 0.16 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1oay n GLY 15 N 2.98 2.97 3.83 0.52 0.00 -1.10 -4.96 105.19 109.42 1oay n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1oay n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oay s GLU 16 N -0.05 2.38 -0.16 1.61 0.41 -1.12 -4.27 118.70 117.49 1oay s GLU 16 Ca 0.00 0.62 -0.06 0.00 -0.41 0.00 0.00 54.97 55.12 1oay s GLU 16 Cb 0.00 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.36 1oay s GLU 16 CO 0.00 -1.41 0.04 0.99 -0.49 0.00 0.00 175.26 174.39 1oay s THR 17 N -3.20 4.63 -0.08 3.63 2.01 -1.26 -3.13 115.64 118.24 1oay s THR 17 Ca 0.60 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.52 1oay s THR 17 Cb -0.13 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1oay s THR 17 CO 0.54 0.50 -0.12 0.54 -0.69 0.00 0.00 174.62 175.39 1oay s VAL 18 N 0.04 1.18 -0.10 3.82 0.11 -1.25 -5.03 120.40 119.18 1oay s VAL 18 Ca 0.05 -0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1oay s VAL 18 Cb -0.12 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1oay s VAL 18 CO 0.01 0.37 0.07 -0.89 -3.33 0.00 0.00 175.10 171.34 1oay s THR 19 N 0.94 4.91 0.28 5.04 2.01 -1.26 -2.65 115.64 124.91 1oay s THR 19 Ca -0.09 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 61.98 1oay s THR 19 Cb -0.15 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1oay s THR 19 CO 0.00 0.60 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.67 1oay s LEU 20 N -0.99 2.89 0.32 4.42 1.02 -1.24 -4.99 118.68 120.10 1oay s LEU 20 Ca 0.15 -0.85 0.04 0.00 0.02 0.00 0.00 54.13 53.48 1oay s LEU 20 Cb -0.12 -1.40 -0.06 0.00 0.02 0.00 0.00 46.19 44.64 1oay s LEU 20 CO 0.04 0.01 0.06 0.42 0.02 0.00 0.00 176.35 176.90 1oay s THR 21 N -2.42 1.11 -0.30 5.49 -4.23 -1.26 -3.34 115.64 110.68 1oay s THR 21 Ca 0.31 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.72 1oay s THR 21 Cb -0.05 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.17 1oay s THR 21 CO 0.17 0.00 0.72 0.00 -0.54 0.00 0.00 174.62 174.97 1oay s ARG 23 N 2.81 3.30 0.20 0.00 3.52117.93 -2.06 118.95 244.65 1oay s ARG 23 Ca -0.03 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1oay s ARG 23 Cb -0.11 -2.82 -0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1oay s ARG 23 CO -0.19 -0.08 1.12 0.45 -0.81 0.00 0.00 175.30 175.79 1oay s SER 24 N 1.12 7.23 0.23 -2.12 0.15 -1.26 0.58 113.70 119.64 1oay s SER 24 Ca 0.01 2.15 -0.01 0.00 0.70 0.00 0.00 55.95 58.80 1oay s SER 24 Cb -0.14 -2.61 0.22 0.00 -1.71 0.00 0.00 66.02 61.78 1oay s SER 24 CO -0.03 -0.24 1.59 0.77 1.20 0.00 0.00 173.24 176.54 1oay h SER 25 N 4.91 0.55 0.00 5.45 4.64 -1.27 -3.46 113.55 124.38 1oay h SER 25 Ca -0.45 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1oay h SER 25 Cb 1.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1oay h SER 25 CO 0.72 0.92 0.00 0.35 -0.87 0.00 0.00 176.83 177.94 1oay n THR 26 N -4.01 0.00 -2.04 2.95 -2.24 -1.26 -4.98 114.28 102.69 1oay n THR 26 Ca -0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1oay n THR 26 Cb 0.53 -0.01 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1oay n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oay s ALA 28 N -4.00 2.56 0.07 6.98 0.00 -1.26 -5.17 121.76 120.94 1oay s ALA 28 Ca 0.00 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1oay s ALA 28 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1oay s ALA 28 CO 0.00 -1.09 0.66 0.08 0.00 0.00 0.00 175.76 175.41 1oay s VAL 29 N -1.68 4.69 0.00 0.00 1.01 -1.17 -5.07 120.40 118.18 1oay s VAL 29 Ca 0.76 1.41 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1oay s VAL 29 Cb -0.28 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1oay s VAL 29 CO 0.32 0.48 0.37 0.41 0.00 0.00 0.00 175.10 176.68 1oay n THR 30 N 2.13 0.00 0.00 3.92 -1.04 -1.26 -4.72 114.28 113.31 1oay n THR 30 Ca -0.07 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1oay n THR 30 Cb 0.50 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 70.07 1oay n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oay n ALA 35 N -0.20 0.00 -2.48 2.41 0.00 -1.26 -5.14 120.51 113.85 1oay n ALA 35 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1oay n ALA 35 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1oay n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oay s ASN 36 N 0.00 3.68 -0.03 0.00 0.01 -1.17 -4.64 114.94 112.79 1oay s ASN 36 Ca 0.00 -0.91 -0.00 0.00 -0.71 0.00 0.00 52.86 51.24 1oay s ASN 36 Cb 0.00 -0.37 0.03 0.00 0.41 0.00 0.00 41.25 41.32 1oay s ASN 36 CO 0.00 0.07 0.02 0.26 -1.51 0.00 0.00 177.10 175.94 1oay s TRP 37 N -2.17 0.19 0.32 2.20 0.52 -1.17 -2.92 118.94 115.91 1oay s TRP 37 Ca 0.27 0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.56 1oay s TRP 37 Cb -0.06 -0.40 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1oay s TRP 37 CO 0.14 -0.14 0.08 0.08 0.02 0.00 0.00 176.95 177.12 1oay s VAL 38 N 1.35 3.06 -0.22 4.03 1.01 -0.48 -2.37 120.40 126.79 1oay s VAL 38 Ca -0.05 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 1oay s VAL 38 Cb -0.13 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.42 1oay s VAL 38 CO -0.03 -0.23 0.16 -1.58 0.00 0.00 0.00 175.10 173.42 1oay s GLN 39 N -3.78 0.15 -0.56 2.72 0.74 -0.60 -2.32 119.66 116.02 1oay s GLN 39 Ca 0.35 -0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.52 1oay s GLN 39 Cb -0.03 -1.38 0.13 0.00 1.10 0.00 0.00 33.01 32.83 1oay s GLN 39 CO 0.21 -0.77 0.53 -2.00 -0.55 0.00 0.00 175.29 172.71 1oay s GLU 40 N 2.22 3.02 0.81 1.67 2.12 -1.10 -1.32 118.70 126.11 1oay s GLU 40 Ca 0.06 -1.72 -0.11 0.00 0.36 0.00 0.00 54.97 53.56 1oay s GLU 40 Cb -0.16 -4.31 0.08 0.00 0.26 0.00 0.00 34.13 30.00 1oay s GLU 40 CO -0.18 -1.34 1.10 0.15 -0.54 0.00 0.00 175.26 174.45 1oay s LYS 41 N 1.60 1.97 1.02 4.30 -0.14 0.61 -1.38 119.74 127.72 1oay s LYS 41 Ca 0.04 1.17 -0.13 0.00 -1.36 0.00 0.00 55.97 55.70 1oay s LYS 41 Cb -0.29 -1.86 0.14 0.00 -1.68 0.00 0.00 37.83 34.14 1oay s LYS 41 CO 0.03 -1.84 0.71 -2.30 -0.76 0.00 0.00 175.35 171.18 1oay n PRO 42 N -3.66 -1.07 -2.22 -1.68 -0.02 -1.26 -2.61 135.00 122.48 1oay n PRO 42 Ca 0.09 -0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1oay n PRO 42 Cb 0.53 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1oay n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1oay n ARG 43 N -3.31 -0.92 -2.62 -0.52 0.63 -1.26 -3.17 116.66 105.49 1oay n ARG 43 Ca 0.06 0.50 -0.19 0.00 -0.92 0.00 0.00 57.85 57.31 1oay n ARG 43 Cb 0.55 -4.57 0.00 0.00 0.45 0.00 0.00 32.46 28.88 1oay n ARG 43 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1oay n HIS 44 N -4.00 -1.38 -3.21 -0.14 8.25 -1.25 -4.98 115.22 108.50 1oay n HIS 44 Ca -0.12 0.15 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1oay n HIS 44 Cb 0.59 -3.66 -0.06 0.00 1.12 0.00 0.00 29.99 27.98 1oay n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oay s LEU 45 N -6.09 4.45 0.35 2.41 1.02 -1.07 -5.00 118.68 114.74 1oay s LEU 45 Ca 0.10 1.20 0.04 0.00 0.02 0.00 0.00 54.13 55.49 1oay s LEU 45 Cb -0.04 -2.93 -0.06 0.00 0.02 0.00 0.00 46.19 43.17 1oay s LEU 45 CO 0.12 0.14 0.06 -0.36 0.02 0.00 0.00 176.35 176.33 1oay s PHE 46 N -0.42 1.99 -0.30 0.29 0.40 -1.26 -0.28 117.98 118.40 1oay s PHE 46 Ca 0.31 -0.97 -0.16 0.00 -0.60 0.00 0.00 56.93 55.51 1oay s PHE 46 Cb -0.19 -1.33 0.17 0.00 0.51 0.00 0.00 43.02 42.18 1oay s PHE 46 CO 0.18 0.02 1.03 0.99 0.70 0.00 0.00 175.22 178.14 1oay s THR 47 N -3.21 -0.33 0.69 0.64 2.01 -0.44 -4.89 115.64 110.11 1oay s THR 47 Ca 0.33 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.20 1oay s THR 47 Cb 0.08 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.60 1oay s THR 47 CO 0.15 0.00 1.09 -0.83 -0.69 0.00 0.00 174.62 174.34 1oay s GLY 48 N 2.13 1.97 0.00 4.40 0.00 -1.26 -1.55 107.32 113.01 1oay s GLY 48 Ca -0.04 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1oay s GLY 48 CO -0.16 0.75 0.00 1.04 0.00 0.00 0.00 173.10 174.72 1oay n LEU 49 N -2.75 0.00 0.00 0.66 4.77 -1.00 -4.90 117.00 113.78 1oay n LEU 49 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1oay n LEU 49 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1oay n LEU 49 CO 0.50 -0.39 0.00 -0.38 -1.33 0.00 0.00 177.39 175.79 1oay n ILE 50 N -2.16 0.00 0.00 -0.08 5.41 -1.20 -4.40 119.36 116.93 1oay n ILE 50 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1oay n ILE 50 Cb 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1oay n ILE 50 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1oay n ASN 54 N -0.40 0.00 -4.28 4.38 6.94 -1.26 -3.02 115.26 117.62 1oay n ASN 54 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 54.58 54.11 1oay n ASN 54 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1oay n ASN 54 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1oay s ASN 55 N -1.11 6.13 0.01 0.53 -0.87 -1.26 -4.63 114.94 113.74 1oay s ASN 55 Ca 0.00 -2.01 0.00 0.00 -1.57 0.00 0.00 52.86 49.28 1oay s ASN 55 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1oay s ASN 55 CO 0.00 -0.75 0.00 -2.11 -2.57 0.00 0.00 177.10 171.67 1oay n ARG 56 N 4.89 2.49 -0.07 -0.60 1.85 -1.26 -5.03 116.66 118.92 1oay n ARG 56 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1oay n ARG 56 Cb 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.82 1oay n ARG 56 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1oay n VAL 60 N -0.23 -0.17 -0.73 8.89 0.31 -1.26 -5.05 118.33 120.09 1oay n VAL 60 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1oay n VAL 60 Cb 0.00 -0.24 0.15 0.00 -0.91 0.00 0.00 33.84 32.84 1oay n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1oay n PRO 61 N 2.74 -0.75 0.16 5.55 -0.02 -1.26 -4.93 135.00 136.49 1oay n PRO 61 Ca 0.00 -0.18 0.01 0.00 -2.02 0.00 0.00 63.50 61.31 1oay n PRO 61 Cb 0.00 -1.89 0.28 0.00 -0.02 0.00 0.00 33.50 31.86 1oay n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oay h ALA 62 N -1.79 1.20 -0.75 3.55 0.00 -2.03 -3.07 119.26 116.37 1oay h ALA 62 Ca -0.47 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.11 1oay h ALA 62 Cb 1.30 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1oay h ALA 62 CO 0.37 0.60 0.49 0.07 0.00 0.00 0.00 179.25 180.78 1oay h ARG 63 N 0.00 0.59 -6.52 0.00 0.11 -1.92 -3.38 114.38 103.26 1oay h ARG 63 Ca -0.00 -0.04 -0.57 0.00 0.10 0.00 0.00 59.98 59.47 1oay h ARG 63 Cb 0.85 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 31.75 1oay h ARG 63 CO 0.06 0.39 1.08 -0.06 0.10 0.00 0.00 179.97 181.54 1oay s PHE 64 N -5.57 2.36 0.04 4.08 0.40 -1.16 -2.96 117.98 115.18 1oay s PHE 64 Ca -0.09 0.66 0.04 0.00 -0.60 0.00 0.00 56.93 56.94 1oay s PHE 64 Cb 0.20 -4.31 -0.02 0.00 0.51 0.00 0.00 43.02 39.40 1oay s PHE 64 CO 0.77 -2.02 -0.12 -1.54 0.70 0.00 0.00 175.22 173.00 1oay s SER 65 N 4.08 1.43 0.10 1.36 1.04 -1.09 -4.94 113.70 115.69 1oay s SER 65 Ca 0.62 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.65 1oay s SER 65 Cb -0.14 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1oay s SER 65 CO 0.32 -0.03 -0.13 -0.83 0.98 0.00 0.00 173.24 173.56 1oay s GLY 66 N -1.24 1.76 0.00 7.32 0.00 -1.26 -2.22 107.32 111.68 1oay s GLY 66 Ca -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 1oay s GLY 66 CO 0.01 -1.25 0.00 -1.14 0.00 0.00 0.00 173.10 170.73 1oay n SER 67 N 0.77 -0.01 -4.06 1.64 3.41 -1.21 -4.61 113.62 109.54 1oay n SER 67 Ca -0.14 -1.01 -0.25 0.00 -0.26 0.00 0.00 58.87 57.21 1oay n SER 67 Cb 0.52 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 1oay n SER 67 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oay s LEU 68 N 0.00 1.74 -0.52 1.04 1.43 -1.26 -2.50 118.68 118.62 1oay s LEU 68 Ca 0.00 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1oay s LEU 68 Cb -0.00 -0.88 0.14 0.00 0.03 0.00 0.00 46.19 45.48 1oay s LEU 68 CO 0.00 0.07 0.28 -0.63 0.23 0.00 0.00 176.35 176.30 1oay s ILE 69 N 0.48 2.34 0.00 -0.59 1.01 -1.13 -4.99 121.20 118.32 1oay s ILE 69 Ca -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 60.65 57.29 1oay s ILE 69 Cb -0.15 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1oay s ILE 69 CO 0.04 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 174.74 1oay n GLY 70 N 3.09 1.99 1.15 6.18 0.00 -1.26 -2.97 105.19 113.38 1oay n GLY 70 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1oay n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oay n ASN 71 N 5.88 0.90 -3.59 1.61 6.94 -1.26 -4.92 115.26 120.82 1oay n ASN 71 Ca 0.00 -2.22 -0.18 0.00 -0.02 0.00 0.00 54.58 52.16 1oay n ASN 71 Cb 0.00 -0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 36.97 1oay n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1oay s LYS 72 N -0.41 0.11 0.61 -3.83 1.02 -1.16 -3.03 119.74 113.04 1oay s LYS 72 Ca 0.27 0.37 -0.20 0.00 0.02 0.00 0.00 55.97 56.43 1oay s LYS 72 Cb 0.30 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 1oay s LYS 72 CO -0.12 -0.48 1.32 0.00 -0.92 0.00 0.00 175.35 175.15 1oay n ALA 73 N 5.32 1.33 -2.29 5.17 0.00 -0.87 -2.81 120.51 126.36 1oay n ALA 73 Ca -0.05 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1oay n ALA 73 Cb 0.50 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1oay n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oay s ALA 74 N -1.34 1.58 -0.38 0.00 0.00 -1.04 -0.37 121.76 120.20 1oay s ALA 74 Ca 0.78 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1oay s ALA 74 Cb -0.40 0.57 0.16 0.00 0.00 0.00 0.00 23.12 23.45 1oay s ALA 74 CO 0.44 -0.30 0.35 -1.17 0.00 0.00 0.00 175.76 175.08 1oay s LEU 75 N -3.24 0.36 -0.09 0.00 2.96 -1.21 -3.32 118.68 114.13 1oay s LEU 75 Ca 0.27 -2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 51.89 1oay s LEU 75 Cb 0.06 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.97 1oay s LEU 75 CO 0.07 -0.24 0.98 -0.89 -1.32 0.00 0.00 176.35 174.95 1oay s THR 76 N 1.07 4.81 -0.72 3.68 2.01 -0.94 -3.65 115.64 121.90 1oay s THR 76 Ca 0.21 2.00 -0.08 0.00 0.31 0.00 0.00 61.69 64.13 1oay s THR 76 Cb -0.13 -4.29 0.19 0.00 0.01 0.00 0.00 72.50 68.27 1oay s THR 76 CO -0.04 0.04 0.59 -0.63 -0.69 0.00 0.00 174.62 173.88 1oay s ILE 77 N 1.82 4.55 -0.38 1.82 1.01 -1.08 -2.66 121.20 126.28 1oay s ILE 77 Ca 0.48 -2.77 -0.29 0.00 0.00 0.00 0.00 60.65 58.07 1oay s ILE 77 Cb -0.19 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1oay s ILE 77 CO 0.19 -0.95 1.22 -0.89 0.00 0.00 0.00 174.94 174.52 1oay s THR 78 N 0.00 4.20 -0.19 2.92 2.01 -1.15 -3.63 115.64 119.79 1oay s THR 78 Ca 0.18 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 1oay s THR 78 Cb -0.16 -4.36 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 1oay s THR 78 CO -0.06 -0.68 0.18 0.61 -0.69 0.00 0.00 174.62 173.97 1oay n GLY 79 N 4.51 -0.19 3.77 4.40 0.00 -1.21 -4.69 105.19 111.77 1oay n GLY 79 Ca 0.14 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1oay n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oay s ALA 80 N -3.03 2.61 0.51 4.61 0.00 -1.18 -4.73 121.76 120.55 1oay s ALA 80 Ca 0.04 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1oay s ALA 80 Cb -0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1oay s ALA 80 CO 0.17 -0.96 0.20 -0.65 0.00 0.00 0.00 175.76 174.52 1oay s GLN 81 N -3.53 2.22 0.07 0.00 -1.52 -1.26 -2.70 119.66 112.93 1oay s GLN 81 Ca 0.71 -2.16 -0.18 0.00 -1.95 0.00 0.00 55.36 51.78 1oay s GLN 81 Cb -0.23 -1.83 -0.11 0.00 -0.22 0.00 0.00 33.01 30.61 1oay s GLN 81 CO 0.32 -0.44 1.40 1.15 -0.25 0.00 0.00 175.29 177.47 1oay h THR 82 N 1.10 1.32 0.00 -0.19 2.02 -2.00 -3.22 112.91 111.94 1oay h THR 82 Ca -0.41 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1oay h THR 82 Cb 1.30 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1oay h THR 82 CO 0.66 0.39 0.00 1.05 0.37 0.00 0.00 175.52 178.00 1oay h GLU 83 N 0.18 0.00 0.00 6.66 4.11 -2.04 -3.12 114.58 120.38 1oay h GLU 83 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1oay h GLU 83 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1oay h GLU 83 CO 0.04 0.00 -0.07 -0.44 0.07 0.00 0.00 179.01 178.62 1oay h ASP 84 N 0.00 0.00 -1.92 3.06 5.19 -1.97 -3.45 116.42 117.34 1oay h ASP 84 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 1oay h ASP 84 Cb 0.45 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.05 1oay h ASP 84 CO 0.00 0.07 0.06 1.21 -3.12 0.00 0.00 179.24 177.46 1oay n GLU 85 N -4.04 0.97 0.00 3.56 2.13 -1.18 -4.97 120.64 117.11 1oay n GLU 85 Ca -0.03 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1oay n GLU 85 Cb 0.15 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.16 1oay n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oay n ALA 86 N 0.76 0.00 -2.21 4.31 0.00 -1.26 -4.72 120.51 117.39 1oay n ALA 86 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 1oay n ALA 86 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1oay n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1oay s ILE 87 N -2.00 3.67 0.59 0.00 1.01 -0.48 -4.74 121.20 119.25 1oay s ILE 87 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 1oay s ILE 87 Cb 0.00 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1oay s ILE 87 CO 0.00 -1.26 1.22 -0.31 0.00 0.00 0.00 174.94 174.59 1oay s TYR 88 N 8.97 2.38 0.45 3.97 1.51 -1.26 -2.72 117.35 130.66 1oay s TYR 88 Ca 0.64 1.50 0.05 0.00 -1.01 0.00 0.00 57.07 58.25 1oay s TYR 88 Cb -0.01 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 38.27 1oay s TYR 88 CO 0.07 -2.29 0.02 -0.06 -1.11 0.00 0.00 175.55 172.19 1oay s PHE 89 N -1.55 2.24 -0.27 2.71 0.08 -0.98 -4.41 117.98 115.80 1oay s PHE 89 Ca 0.77 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 1oay s PHE 89 Cb -0.32 -1.72 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1oay s PHE 89 CO 0.34 0.33 0.67 0.00 -0.10 0.00 0.00 175.22 176.46 1oay s ALA 91 N 1.19 4.08 0.00 0.00 0.00 -1.15 -0.93 121.76 124.95 1oay s ALA 91 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1oay s ALA 91 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1oay s ALA 91 CO -0.12 -0.22 0.00 0.28 0.00 0.00 0.00 175.76 175.70 1oay n VAL 99 N -1.44 0.00 -2.73 0.00 0.31 -1.26 -3.05 118.33 110.17 1oay n VAL 99 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 1oay n VAL 99 Cb 0.65 -0.77 0.05 0.00 -0.91 0.00 0.00 33.84 32.86 1oay n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1oay s PHE 100 N 0.00 2.43 0.81 3.52 0.40 -1.26 -4.98 117.98 118.90 1oay s PHE 100 Ca 0.00 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 1oay s PHE 100 Cb 0.00 -2.68 0.08 0.00 0.51 0.00 0.00 43.02 40.92 1oay s PHE 100 CO 0.00 -1.00 1.09 0.20 0.70 0.00 0.00 175.22 176.21 1oay s GLY 101 N -4.50 1.62 0.25 4.36 0.00 -0.11 -4.67 107.32 104.27 1oay s GLY 101 Ca 0.59 -0.16 0.17 0.00 0.00 0.00 0.00 44.72 45.32 1oay s GLY 101 CO 0.39 0.27 1.30 -1.33 0.00 0.00 0.00 173.10 173.73 1oay h GLY 102 N -1.16 0.00 0.00 0.20 0.00 -1.86 -3.46 103.07 96.80 1oay h GLY 102 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1oay h GLY 102 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1oay n GLY 103 N 1.24 -2.04 0.00 4.60 0.00 -1.26 -5.15 105.19 102.57 1oay n GLY 103 Ca -0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1oay n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73