#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain n LYS 2 N 0.00 3.16 -3.25 0.03 4.81 -1.26 -4.74 118.16 116.91 2ain n LYS 2 Ca 0.00 -3.07 -0.09 0.00 -0.87 0.00 0.00 58.31 54.27 2ain n LYS 2 Cb 0.00 -2.14 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 2ain n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ain s GLU 3 N -3.08 0.76 0.23 1.64 2.02 -1.26 -5.16 118.70 113.85 2ain s GLU 3 Ca 0.53 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 2ain s GLU 3 Cb 0.44 -0.38 0.06 0.00 0.10 0.00 0.00 34.13 34.34 2ain s GLU 3 CO 0.11 -1.22 0.15 -2.30 0.02 0.00 0.00 175.26 172.02 2ain n PRO 4 N 4.12 -2.16 -3.83 0.39 -0.02 -1.26 -4.99 135.00 127.24 2ain n PRO 4 Ca 0.13 -0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 2ain n PRO 4 Cb 0.51 -0.29 -0.11 0.00 -0.02 0.00 0.00 33.50 33.58 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2ain s GLU 5 N -3.35 2.41 -0.13 -0.52 2.12 -1.25 -5.01 118.70 112.97 2ain s GLU 5 Ca 0.11 -2.81 -0.25 0.00 0.36 0.00 0.00 54.97 52.38 2ain s GLU 5 Cb -0.02 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 2ain s GLU 5 CO 0.09 -1.18 0.81 0.42 -0.54 0.00 0.00 175.26 174.86 2ain s ILE 6 N -0.56 4.92 -0.01 -3.70 -1.09 -1.26 0.57 121.20 120.07 2ain s ILE 6 Ca 0.20 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.24 2ain s ILE 6 Cb -0.18 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 2ain s ILE 6 CO -0.05 0.09 0.02 0.27 -1.23 0.00 0.00 174.94 174.04 2ain s ILE 7 N 1.73 -0.01 -0.34 2.92 -5.25 -0.72 -4.99 121.20 114.55 2ain s ILE 7 Ca 0.39 0.05 -0.10 0.00 -0.99 0.00 0.00 60.65 60.01 2ain s ILE 7 Cb -0.17 -0.05 0.01 0.00 2.95 0.00 0.00 42.46 45.20 2ain s ILE 7 CO 0.15 0.02 0.16 -0.89 -1.79 0.00 0.00 174.94 172.60 2ain s THR 8 N 0.26 4.48 0.10 8.37 2.01 -1.26 -2.21 115.64 127.38 2ain s THR 8 Ca -0.02 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2ain s THR 8 Cb -0.03 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2ain s THR 8 CO -0.01 -0.07 0.23 0.68 -0.69 0.00 0.00 174.62 174.76 2ain s VAL 9 N 1.57 5.29 -0.13 3.82 -7.23 1.00 -4.97 120.40 119.74 2ain s VAL 9 Ca 0.03 -0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2ain s VAL 9 Cb -0.18 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2ain s VAL 9 CO 0.06 0.05 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.92 2ain s THR 10 N -1.59 1.17 0.17 5.32 2.01 -1.26 -1.72 115.64 119.74 2ain s THR 10 Ca 0.34 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2ain s THR 10 Cb -0.12 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 2ain s THR 10 CO 0.28 0.38 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.78 2ain s LEU 11 N 1.65 2.33 -0.09 4.42 1.43 0.11 -4.98 118.68 123.56 2ain s LEU 11 Ca 0.05 -1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.04 2ain s LEU 11 Cb -0.13 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 2ain s LEU 11 CO -0.09 -0.46 -0.06 -0.54 0.23 0.00 0.00 176.35 175.43 2ain s LYS 12 N -3.83 2.94 0.00 1.70 1.02 -1.26 0.56 119.74 120.86 2ain s LYS 12 Ca 0.21 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 2ain s LYS 12 Cb 0.05 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.62 2ain s LYS 12 CO 0.03 0.59 1.72 0.15 -0.92 0.00 0.00 175.35 176.91 2ain s LYS 13 N -0.59 4.18 -0.23 1.68 1.02 -0.55 -4.90 119.74 120.35 2ain s LYS 13 Ca 0.09 2.32 -0.18 0.00 0.02 0.00 0.00 55.97 58.22 2ain s LYS 13 Cb -0.12 -3.91 -0.16 0.00 -0.52 0.00 0.00 37.83 33.13 2ain s LYS 13 CO 0.02 -0.84 -0.01 0.94 -0.92 0.00 0.00 175.35 174.55 2ain n GLN 14 N 6.78 0.56 -2.42 1.68 7.27 -1.26 -4.87 117.38 125.12 2ain n GLN 14 Ca 0.17 0.47 -0.02 0.00 0.07 0.00 0.00 57.00 57.69 2ain n GLN 14 Cb 0.42 -1.66 0.10 0.00 2.41 0.00 0.00 30.24 31.51 2ain n GLN 14 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2ain n ASN 15 N -4.39 -1.19 0.00 1.69 6.94 -1.26 -5.13 115.26 111.92 2ain n ASN 15 Ca -0.37 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 2ain n ASN 15 Cb 0.72 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.73 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ain n GLY 16 N -1.09 2.45 0.06 4.83 0.00 -1.26 -4.97 105.19 105.21 2ain n GLY 16 Ca -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 2ain n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ain h MET 17 N 0.00 -0.15 -3.81 1.61 2.86 -1.98 -3.38 114.93 110.08 2ain h MET 17 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ain h MET 17 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ain h MET 17 CO 0.00 -0.10 -0.15 0.41 1.06 0.00 0.00 176.91 178.13 2ain n GLY 18 N 0.16 -0.87 3.81 8.32 0.00 -1.26 -3.91 105.19 111.44 2ain n GLY 18 Ca -0.02 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2ain n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ain s LEU 19 N -1.73 0.02 0.00 0.99 0.05 -1.26 0.34 118.68 117.09 2ain s LEU 19 Ca 0.08 -1.16 0.05 0.00 0.05 0.00 0.00 54.13 53.14 2ain s LEU 19 Cb -0.02 2.82 -0.01 0.00 -2.05 0.00 0.00 46.19 46.92 2ain s LEU 19 CO 0.27 -1.68 -0.15 -0.44 -0.55 0.00 0.00 176.35 173.80 2ain s SER 20 N -3.10 1.71 0.05 1.48 0.01 0.16 -4.84 113.70 109.17 2ain s SER 20 Ca 0.16 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2ain s SER 20 Cb -0.05 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2ain s SER 20 CO 0.11 0.14 -0.05 0.27 0.41 0.00 0.00 173.24 174.12 2ain s ILE 21 N -0.48 0.42 -0.04 1.44 -5.25 -1.26 -0.28 121.20 115.75 2ain s ILE 21 Ca 0.05 -1.42 -0.03 0.00 -0.99 0.00 0.00 60.65 58.26 2ain s ILE 21 Cb -0.06 -1.01 0.02 0.00 2.95 0.00 0.00 42.46 44.36 2ain s ILE 21 CO -0.00 -0.67 0.10 -0.69 -1.79 0.00 0.00 174.94 171.89 2ain s VAL 22 N -2.53 -0.03 0.11 8.37 1.01 0.20 -4.83 120.40 122.71 2ain s VAL 22 Ca -0.02 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2ain s VAL 22 Cb -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.13 2ain s VAL 22 CO -0.03 0.04 0.43 0.00 0.00 0.00 0.00 175.10 175.53 2ain s ALA 23 N 0.59 3.71 0.08 5.51 0.00 -1.26 -0.42 121.76 129.97 2ain s ALA 23 Ca -0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2ain s ALA 23 Cb -0.06 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.79 2ain s ALA 23 CO -0.02 0.57 0.28 0.00 0.00 0.00 0.00 175.76 176.59 2ain s ALA 24 N -1.50 -0.56 0.53 0.00 0.00 -1.10 -4.99 121.76 114.13 2ain s ALA 24 Ca 0.37 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2ain s ALA 24 Cb -0.13 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2ain s ALA 24 CO 0.20 -0.50 0.07 0.21 0.00 0.00 0.00 175.76 175.73 2ain s LYS 25 N -3.34 2.22 0.00 0.00 2.20 -1.26 -3.18 119.74 116.37 2ain s LYS 25 Ca 0.01 -2.37 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 2ain s LYS 25 Cb 0.02 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 2ain s LYS 25 CO -0.08 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2ain n GLY 26 N -1.37 3.21 3.67 5.54 0.00 -1.26 -5.09 105.19 109.88 2ain n GLY 26 Ca -0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2ain n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain s ALA 27 N -1.00 3.23 -1.75 4.61 0.00 -1.26 -4.49 121.76 121.10 2ain s ALA 27 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2ain s ALA 27 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2ain s ALA 27 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 2ain n GLY 28 N 0.50 -0.16 2.77 0.00 0.00 -1.26 -4.95 105.19 102.10 2ain n GLY 28 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2ain n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ain s GLN 29 N -4.85 0.25 -0.57 1.61 -0.44 -1.26 -5.02 119.66 109.38 2ain s GLN 29 Ca 0.00 0.14 -0.01 0.00 -2.50 0.00 0.00 55.36 52.98 2ain s GLN 29 Cb 0.00 -0.94 0.41 0.00 -1.64 0.00 0.00 33.01 30.84 2ain s GLN 29 CO 0.00 -0.77 2.02 -3.47 0.50 0.00 0.00 175.29 173.57 2ain n ASP 30 N 5.32 7.14 0.00 6.67 2.03 -1.26 -4.51 116.55 131.94 2ain n ASP 30 Ca -0.04 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.67 2ain n ASP 30 Cb 0.49 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ain n LYS 31 N -0.63 0.54 -3.71 -0.67 4.76 -1.26 -4.88 118.16 112.31 2ain n LYS 31 Ca 0.55 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.86 2ain n LYS 31 Cb 0.70 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.76 2ain n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2ain s LEU 32 N 0.00 0.19 -0.04 -0.35 2.96 -1.26 -4.78 118.68 115.40 2ain s LEU 32 Ca 0.00 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2ain s LEU 32 Cb 0.00 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.37 2ain s LEU 32 CO 0.00 -0.19 0.03 -0.83 -1.32 0.00 0.00 176.35 174.04 2ain s GLY 33 N 1.63 1.92 0.03 7.98 0.00 -1.19 -3.73 107.32 113.95 2ain s GLY 33 Ca -0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 2ain s GLY 33 CO -0.08 -0.67 0.68 -0.42 0.00 0.00 0.00 173.10 172.61 2ain s ILE 34 N -1.03 4.79 0.03 0.90 1.09 -1.26 -2.70 121.20 123.03 2ain s ILE 34 Ca 0.18 1.45 0.07 0.00 -1.10 0.00 0.00 60.65 61.24 2ain s ILE 34 Cb -0.12 -4.03 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 2ain s ILE 34 CO 0.08 0.40 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.81 2ain s TYR 35 N -0.20 1.69 -0.01 3.97 2.02 0.44 0.12 117.35 125.39 2ain s TYR 35 Ca 0.35 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.40 2ain s TYR 35 Cb -0.20 -1.03 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2ain s TYR 35 CO 0.20 0.06 0.92 0.08 -1.57 0.00 0.00 175.55 175.24 2ain s VAL 36 N -0.73 4.91 -0.25 0.71 1.01 0.18 0.61 120.40 126.84 2ain s VAL 36 Ca 0.07 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.98 2ain s VAL 36 Cb -0.08 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.87 2ain s VAL 36 CO 0.01 0.18 -0.23 1.17 0.00 0.00 0.00 175.10 176.23 2ain n LYS 37 N 3.87 0.63 -3.56 2.72 4.81 0.62 -0.99 118.16 126.26 2ain n LYS 37 Ca 0.04 0.15 0.03 0.00 -0.87 0.00 0.00 58.31 57.67 2ain n LYS 37 Cb 0.51 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.00 2ain n LYS 37 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ain s SER 38 N -6.53 -0.03 -0.05 3.14 0.15 -1.20 -4.68 113.70 104.51 2ain s SER 38 Ca -0.34 0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.16 2ain s SER 38 Cb 0.09 1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 65.37 2ain s SER 38 CO 0.58 -0.01 0.52 0.68 1.20 0.00 0.00 173.24 176.21 2ain s VAL 39 N 1.20 5.05 0.09 4.45 -7.23 -1.26 0.36 120.40 123.07 2ain s VAL 39 Ca -0.06 1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 60.87 2ain s VAL 39 Cb -0.02 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 33.00 2ain s VAL 39 CO -0.11 0.40 1.21 -0.69 -0.31 0.00 0.00 175.10 175.60 2ain s VAL 40 N 0.07 3.88 -0.10 1.32 1.01 0.15 -4.93 120.40 121.80 2ain s VAL 40 Ca 0.28 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 2ain s VAL 40 Cb -0.17 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2ain s VAL 40 CO 0.14 0.14 2.01 -0.54 0.00 0.00 0.00 175.10 176.85 2ain s LYS 41 N 0.76 3.70 0.00 2.72 -0.14 -1.26 -2.57 119.74 122.95 2ain s LYS 41 Ca 0.58 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 57.44 2ain s LYS 41 Cb -0.31 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.62 2ain s LYS 41 CO 0.31 -1.45 0.00 0.41 -0.76 0.00 0.00 175.35 173.86 2ain n GLY 42 N 5.03 1.03 3.75 -3.33 0.00 -1.26 -5.12 105.19 105.29 2ain n GLY 42 Ca 0.24 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2ain n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ain s GLY 43 N -0.44 2.63 0.36 -0.02 0.00 -1.06 -4.76 107.32 104.04 2ain s GLY 43 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 44.72 45.78 2ain s GLY 43 CO 0.00 1.36 1.89 0.00 0.00 0.00 0.00 173.10 176.36 2ain h ALA 44 N 0.56 1.84 -0.47 3.20 0.00 -1.75 -0.23 119.26 122.41 2ain h ALA 44 Ca -0.50 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2ain h ALA 44 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2ain h ALA 44 CO 0.54 -0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.76 2ain h ALA 45 N 1.60 1.16 0.01 0.00 0.00 -1.91 -1.51 119.26 118.61 2ain h ALA 45 Ca 0.41 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2ain h ALA 45 Cb 0.65 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ain h ALA 45 CO -0.17 0.55 -0.44 0.22 0.00 0.00 0.00 179.25 179.40 2ain h ASP 46 N 0.72 0.37 -0.84 0.00 3.58 -1.43 -2.19 116.42 116.63 2ain h ASP 46 Ca 0.15 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2ain h ASP 46 Cb 0.40 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2ain h ASP 46 CO 0.01 1.11 0.55 0.58 -2.88 0.00 0.00 179.24 178.61 2ain h VAL 47 N -0.32 1.22 -0.12 2.25 2.07 -1.06 -2.76 116.25 117.53 2ain h VAL 47 Ca -0.06 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 66.84 2ain h VAL 47 Cb 1.19 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2ain h VAL 47 CO 0.09 0.22 -0.69 -0.78 0.02 0.00 0.00 177.57 176.43 2ain h ASP 48 N 1.15 0.80 -0.23 0.57 3.58 -1.35 -3.48 116.42 117.46 2ain h ASP 48 Ca 0.31 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2ain h ASP 48 Cb -0.11 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.70 2ain h ASP 48 CO -0.06 1.33 0.00 0.61 -2.88 0.00 0.00 179.24 178.23 2ain n GLY 49 N 0.75 0.85 0.07 -0.78 0.00 -0.83 -5.01 105.19 100.25 2ain n GLY 49 Ca -0.08 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2ain n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ain h ARG 50 N 0.00 0.00 -6.55 1.61 2.47 -1.86 -3.48 114.38 106.58 2ain h ARG 50 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 2ain h ARG 50 Cb 0.74 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.90 2ain h ARG 50 CO 0.00 0.57 -0.75 -0.48 0.56 0.00 0.00 179.97 179.87 2ain s LEU 51 N -8.23 2.86 0.28 3.04 0.05 -1.26 -5.12 118.68 110.30 2ain s LEU 51 Ca -0.15 -0.57 0.00 0.00 0.05 0.00 0.00 54.13 53.46 2ain s LEU 51 Cb 0.01 -1.61 -0.02 0.00 -2.05 0.00 0.00 46.19 42.51 2ain s LEU 51 CO 0.41 0.13 0.29 0.00 -0.55 0.00 0.00 176.35 176.63 2ain s ALA 52 N -1.49 1.18 0.07 1.48 0.00 -1.26 -4.73 121.76 117.02 2ain s ALA 52 Ca 0.22 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2ain s ALA 52 Cb -0.09 1.34 -0.09 0.00 0.00 0.00 0.00 23.12 24.27 2ain s ALA 52 CO 0.13 -0.69 1.86 0.00 0.00 0.00 0.00 175.76 177.07 2ain s ALA 53 N -3.65 3.68 0.00 0.00 0.00 -1.26 -3.53 121.76 117.00 2ain s ALA 53 Ca 0.36 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2ain s ALA 53 Cb 0.03 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2ain s ALA 53 CO 0.19 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2ain n GLY 54 N 4.34 1.12 3.00 0.00 0.00 -0.16 -4.97 105.19 108.51 2ain n GLY 54 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2ain n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ain s ASP 55 N -2.00 0.78 0.23 1.61 1.01 -1.23 -4.82 116.67 112.26 2ain s ASP 55 Ca 0.00 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.00 2ain s ASP 55 Cb 0.00 -0.06 -0.05 0.00 1.01 0.00 0.00 42.92 43.82 2ain s ASP 55 CO 0.00 0.02 0.49 -1.58 0.21 0.00 0.00 175.17 174.30 2ain s GLN 56 N -0.48 3.63 0.46 8.23 0.74 -1.26 0.52 119.66 131.50 2ain s GLN 56 Ca -0.00 -0.04 0.08 0.00 0.05 0.00 0.00 55.36 55.45 2ain s GLN 56 Cb -0.04 -2.72 0.02 0.00 1.10 0.00 0.00 33.01 31.37 2ain s GLN 56 CO -0.00 0.32 0.58 -1.17 -0.55 0.00 0.00 175.29 174.46 2ain s LEU 57 N -3.21 3.46 0.17 3.68 2.96 0.33 -1.21 118.68 124.85 2ain s LEU 57 Ca 0.43 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2ain s LEU 57 Cb -0.11 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2ain s LEU 57 CO 0.27 -0.88 0.00 -0.11 -1.32 0.00 0.00 176.35 174.32 2ain n LEU 58 N -1.88 -0.98 -4.01 -0.68 0.00 0.18 -4.49 117.00 105.13 2ain n LEU 58 Ca 0.08 0.31 -0.18 0.00 0.00 0.00 0.00 56.01 56.23 2ain n LEU 58 Cb 0.60 1.10 -0.14 0.00 0.00 0.00 0.00 43.42 44.98 2ain n LEU 58 CO 0.40 -0.39 -0.42 -0.55 0.00 0.00 0.00 177.39 176.43 2ain s SER 59 N -3.52 0.95 -0.12 1.96 0.15 -1.18 -2.93 113.70 109.03 2ain s SER 59 Ca 0.00 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2ain s SER 59 Cb 0.00 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2ain s SER 59 CO 0.00 0.08 -0.08 -0.69 1.20 0.00 0.00 173.24 173.75 2ain s VAL 60 N -0.27 1.07 -1.47 4.45 1.01 -1.14 -0.39 120.40 123.66 2ain s VAL 60 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2ain s VAL 60 Cb -0.04 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2ain s VAL 60 CO -0.00 0.38 0.54 -0.67 0.00 0.00 0.00 175.10 175.34 2ain n ASP 61 N 4.90 -5.37 -0.74 3.32 -0.08 0.11 -1.89 116.55 116.81 2ain n ASP 61 Ca -0.13 -0.29 -0.04 0.00 -1.51 0.00 0.00 54.79 52.82 2ain n ASP 61 Cb 0.50 -4.37 0.01 0.00 2.34 0.00 0.00 41.12 39.60 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ain n GLY 62 N -1.39 0.50 3.51 0.27 0.00 -1.26 -4.94 105.19 101.89 2ain n GLY 62 Ca -0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2ain n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ain s ARG 63 N -4.76 1.85 -0.16 1.61 0.52 -0.79 -5.15 118.95 112.07 2ain s ARG 63 Ca 0.05 -2.10 0.01 0.00 -0.52 0.00 0.00 55.73 53.17 2ain s ARG 63 Cb -0.02 -0.78 0.02 0.00 0.52 0.00 0.00 34.95 34.69 2ain s ARG 63 CO 0.07 -0.37 -0.19 -1.12 0.02 0.00 0.00 175.30 173.71 2ain s SER 64 N -3.59 2.98 -0.36 0.23 0.01 -1.26 -2.88 113.70 108.82 2ain s SER 64 Ca 0.27 -0.59 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2ain s SER 64 Cb 0.05 -1.38 0.60 0.00 0.21 0.00 0.00 66.02 65.50 2ain s SER 64 CO 0.14 0.01 1.69 0.18 0.41 0.00 0.00 173.24 175.67 2ain n LEU 65 N 4.49 5.44 -4.47 2.44 4.32 -1.15 -4.93 117.00 123.15 2ain n LEU 65 Ca -0.20 -3.64 -0.43 0.00 -0.02 0.00 0.00 56.01 51.72 2ain n LEU 65 Cb 0.50 -0.73 -0.04 0.00 -1.62 0.00 0.00 43.42 41.53 2ain n LEU 65 CO 0.25 1.12 0.79 -0.69 -1.22 0.00 0.00 177.39 177.64 2ain s VAL 66 N -3.24 4.27 0.00 4.08 1.01 -1.26 -3.62 120.40 121.64 2ain s VAL 66 Ca 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2ain s VAL 66 Cb 0.44 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2ain s VAL 66 CO 0.06 -1.48 0.00 0.61 0.00 0.00 0.00 175.10 174.29 2ain n GLY 67 N 5.32 1.85 3.57 4.51 0.00 -1.24 -4.84 105.19 114.36 2ain n GLY 67 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2ain n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ain s LEU 68 N 0.00 2.80 0.40 0.99 1.43 -1.24 -4.80 118.68 118.26 2ain s LEU 68 Ca 0.00 -1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 2ain s LEU 68 Cb 0.00 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 2ain s LEU 68 CO 0.00 -0.20 0.82 -0.44 0.23 0.00 0.00 176.35 176.76 2ain s SER 69 N -3.64 6.69 0.52 2.29 0.01 -1.26 -4.50 113.70 113.81 2ain s SER 69 Ca 0.33 1.35 0.29 0.00 1.31 0.00 0.00 55.95 59.23 2ain s SER 69 Cb 0.01 -2.41 1.41 0.00 0.21 0.00 0.00 66.02 65.25 2ain s SER 69 CO 0.17 -0.36 1.89 -0.61 0.41 0.00 0.00 173.24 174.74 2ain h GLN 70 N 1.65 0.07 0.09 12.44 4.15 -1.97 -0.45 115.11 131.09 2ain h GLN 70 Ca -0.48 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 2ain h GLN 70 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2ain h GLN 70 CO 0.63 0.04 -0.04 0.93 -1.93 0.00 0.00 178.83 178.47 2ain h GLU 71 N 0.07 -0.11 -0.79 1.69 5.08 -1.99 -2.02 114.58 116.51 2ain h GLU 71 Ca 0.42 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2ain h GLU 71 Cb 1.58 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 2ain h GLU 71 CO -0.04 0.16 0.33 0.00 -1.00 0.00 0.00 179.01 178.47 2ain h ARG 72 N -0.39 1.16 0.82 2.33 -0.00 -1.52 0.49 114.38 117.28 2ain h ARG 72 Ca -0.01 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.98 59.23 2ain h ARG 72 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 2ain h ARG 72 CO 0.02 0.93 -0.48 0.00 0.00 0.00 0.00 179.97 180.44 2ain h ALA 73 N 1.17 -1.29 -0.49 0.04 0.00 -1.14 0.35 119.26 117.91 2ain h ALA 73 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ain h ALA 73 Cb 0.19 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ain h ALA 73 CO -0.03 -1.23 0.28 0.00 0.00 0.00 0.00 179.25 178.27 2ain h ALA 74 N -1.23 0.63 -0.93 0.00 0.00 -1.36 -1.64 119.26 114.73 2ain h ALA 74 Ca -0.11 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2ain h ALA 74 Cb 0.97 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2ain h ALA 74 CO 0.13 0.14 0.61 1.49 0.00 0.00 0.00 179.25 181.62 2ain h GLU 75 N 0.66 1.16 -0.22 0.00 4.22 -0.82 0.15 114.58 119.73 2ain h GLU 75 Ca 0.18 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 2ain h GLU 75 Cb 0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2ain h GLU 75 CO -0.03 0.77 -0.37 -0.07 -2.18 0.00 0.00 179.01 177.13 2ain h LEU 76 N 1.19 0.50 0.02 1.64 3.38 0.13 -0.81 115.31 121.37 2ain h LEU 76 Ca 0.36 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 2ain h LEU 76 Cb -0.04 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.59 2ain h LEU 76 CO -0.10 0.83 -0.92 0.24 0.09 0.00 0.00 178.44 178.58 2ain h MET 77 N 0.41 0.58 -0.24 1.13 2.86 -0.51 -3.31 114.93 115.86 2ain h MET 77 Ca 0.04 -0.66 -0.16 0.00 -2.06 0.00 0.00 59.70 56.86 2ain h MET 77 Cb 0.83 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2ain h MET 77 CO 0.07 1.26 -0.51 0.00 1.06 0.00 0.00 176.91 178.79 2ain h THR 78 N 0.18 1.30 -1.07 2.22 1.03 -0.73 -3.27 112.91 112.58 2ain h THR 78 Ca -0.12 -1.73 -0.64 0.00 -0.01 0.00 0.00 66.41 63.91 2ain h THR 78 Cb 1.60 1.67 -0.14 0.00 -1.07 0.00 0.00 68.15 70.21 2ain h THR 78 CO 0.18 0.55 1.63 0.54 -0.01 0.00 0.00 175.52 178.41 2ain n ARG 79 N -3.99 3.72 -3.95 0.00 1.74 -0.31 -4.93 116.66 108.93 2ain n ARG 79 Ca -0.03 -2.97 -0.27 0.00 -0.77 0.00 0.00 57.85 53.81 2ain n ARG 79 Cb 0.59 -2.44 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ain s THR 80 N -1.44 1.59 0.61 0.55 -4.23 -1.23 -4.89 115.64 106.60 2ain s THR 80 Ca 0.57 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 2ain s THR 80 Cb 0.26 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 72.13 2ain s THR 80 CO -0.14 0.00 0.75 -1.54 -0.54 0.00 0.00 174.62 173.15 2ain n SER 81 N -1.74 -0.34 -0.34 3.99 3.41 -1.26 -4.93 113.62 112.41 2ain n SER 81 Ca -0.03 -1.19 0.12 0.00 -0.26 0.00 0.00 58.87 57.50 2ain n SER 81 Cb 0.64 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.32 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ain h SER 82 N -1.26 0.79 -2.97 4.04 0.02 -1.98 -3.41 113.55 108.78 2ain h SER 82 Ca -0.25 0.07 -0.61 0.00 -0.84 0.00 0.00 61.79 60.16 2ain h SER 82 Cb 0.71 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2ain h SER 82 CO 0.17 0.34 -0.41 -0.69 -1.14 0.00 0.00 176.83 175.11 2ain s VAL 83 N -5.83 5.30 -0.06 2.27 1.01 -1.26 -1.48 120.40 120.34 2ain s VAL 83 Ca -0.11 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2ain s VAL 83 Cb 0.24 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 2ain s VAL 83 CO 0.80 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 175.18 2ain s VAL 84 N -1.47 1.91 -0.57 2.92 1.01 0.19 -4.95 120.40 119.45 2ain s VAL 84 Ca 0.34 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2ain s VAL 84 Cb -0.13 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.78 2ain s VAL 84 CO 0.22 0.53 0.36 -0.89 0.00 0.00 0.00 175.10 175.32 2ain s THR 85 N -0.01 2.29 0.01 3.92 2.01 -1.26 -0.71 115.64 121.89 2ain s THR 85 Ca -0.07 -3.52 -0.16 0.00 0.31 0.00 0.00 61.69 58.25 2ain s THR 85 Cb -0.14 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 2ain s THR 85 CO 0.04 -0.94 0.45 -0.76 -0.69 0.00 0.00 174.62 172.72 2ain s LEU 86 N -0.63 4.47 -0.34 4.42 1.43 -0.70 0.07 118.68 127.40 2ain s LEU 86 Ca 0.22 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2ain s LEU 86 Cb -0.14 -2.67 0.10 0.00 0.03 0.00 0.00 46.19 43.52 2ain s LEU 86 CO -0.09 0.28 0.09 -0.70 0.23 0.00 0.00 176.35 176.17 2ain s GLU 87 N -0.93 1.22 0.46 1.70 2.12 0.48 -0.00 118.70 123.74 2ain s GLU 87 Ca 0.25 -1.64 0.08 0.00 0.36 0.00 0.00 54.97 54.02 2ain s GLU 87 Cb -0.17 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.50 2ain s GLU 87 CO 0.14 -0.98 0.47 0.14 -0.54 0.00 0.00 175.26 174.50 2ain s VAL 88 N 1.06 2.51 -0.38 3.70 -7.23 -0.94 -0.65 120.40 118.48 2ain s VAL 88 Ca 0.11 -1.25 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2ain s VAL 88 Cb -0.19 -2.77 0.06 0.00 0.56 0.00 0.00 36.38 34.04 2ain s VAL 88 CO -0.13 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 174.84 2ain s ALA 89 N -2.52 3.16 -0.43 1.32 0.00 -0.35 -1.75 121.76 121.20 2ain s ALA 89 Ca 0.49 -1.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.21 2ain s ALA 89 Cb -0.05 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2ain s ALA 89 CO 0.29 -1.50 2.12 0.15 0.00 0.00 0.00 175.76 176.82 2ain s LYS 90 N 1.40 2.69 0.09 0.00 -0.14 0.19 -4.26 119.74 119.71 2ain s LYS 90 Ca 0.01 1.36 0.02 0.00 -1.36 0.00 0.00 55.97 56.00 2ain s LYS 90 Cb -0.21 -4.42 -0.04 0.00 -1.68 0.00 0.00 37.83 31.48 2ain s LYS 90 CO 0.02 -2.62 -0.07 1.14 -0.76 0.00 0.00 175.35 173.06 2ain s GLN 91 N 7.05 0.79 0.00 1.68 -2.07 -1.26 -3.83 119.66 122.03 2ain s GLN 91 Ca 0.88 -1.26 0.24 0.00 -1.82 0.00 0.00 55.36 53.40 2ain s GLN 91 Cb -0.20 -0.22 0.26 0.00 -1.09 0.00 0.00 33.01 31.76 2ain s GLN 91 CO 0.28 -0.01 1.30 0.41 -1.32 0.00 0.00 175.29 175.95 2ain n GLY 92 N 0.16 1.16 0.21 2.60 0.00 -1.26 -4.96 105.19 103.09 2ain n GLY 92 Ca -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.21 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32