#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain s LYS 2 N 0.00 3.45 -0.22 3.17 1.02 -1.26 -4.98 119.74 120.93 2ain s LYS 2 Ca 0.00 -0.92 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 2ain s LYS 2 Cb 0.00 -4.93 -0.01 0.00 -0.52 0.00 0.00 37.83 32.37 2ain s LYS 2 CO 0.00 -2.13 1.37 -2.00 -0.92 0.00 0.00 175.35 171.66 2ain s GLU 3 N 4.93 4.03 0.00 1.68 2.12 -1.26 -5.02 118.70 125.18 2ain s GLU 3 Ca 0.40 1.54 0.00 0.00 0.36 0.00 0.00 54.97 57.28 2ain s GLU 3 Cb -0.04 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.48 2ain s GLU 3 CO -0.02 -0.98 0.00 -2.30 -0.54 0.00 0.00 175.26 171.42 2ain n PRO 4 N 7.10 -0.34 -3.77 4.30 -0.02 -1.26 -4.99 135.00 136.02 2ain n PRO 4 Ca 0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 2ain n PRO 4 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.82 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 -1.51 2.19 -0.21 -0.52 2.12 -1.25 -5.05 118.70 114.47 2ain s GLU 5 Ca 0.00 -2.14 -0.11 0.00 0.36 0.00 0.00 54.97 53.08 2ain s GLU 5 Cb 0.00 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 2ain s GLU 5 CO 0.00 -1.11 0.18 0.42 -0.54 0.00 0.00 175.26 174.21 2ain s ILE 6 N 0.59 5.36 -0.00 -3.70 -1.09 -1.26 0.07 121.20 121.16 2ain s ILE 6 Ca 0.12 0.27 -0.07 0.00 -2.23 0.00 0.00 60.65 58.74 2ain s ILE 6 Cb -0.22 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2ain s ILE 6 CO -0.04 0.38 0.13 0.27 -1.23 0.00 0.00 174.94 174.44 2ain s ILE 7 N 0.77 0.08 -0.20 2.92 -4.36 -0.71 -5.01 121.20 114.69 2ain s ILE 7 Ca 0.10 -0.64 -0.02 0.00 -0.26 0.00 0.00 60.65 59.83 2ain s ILE 7 Cb -0.13 -0.40 0.00 0.00 1.25 0.00 0.00 42.46 43.19 2ain s ILE 7 CO 0.02 -0.35 -0.11 -0.89 0.24 0.00 0.00 174.94 173.85 2ain s THR 8 N -1.25 2.84 0.22 8.37 2.01 -1.26 -0.68 115.64 125.88 2ain s THR 8 Ca -0.13 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2ain s THR 8 Cb -0.07 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 2ain s THR 8 CO 0.01 0.47 0.44 0.68 -0.69 0.00 0.00 174.62 175.54 2ain s VAL 9 N 1.33 5.13 -0.27 3.82 -7.23 0.01 -4.92 120.40 118.28 2ain s VAL 9 Ca 0.04 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 2ain s VAL 9 Cb -0.14 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.17 2ain s VAL 9 CO -0.06 -0.17 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.64 2ain s THR 10 N -1.88 1.74 0.20 5.32 2.01 -1.26 -2.44 115.64 119.33 2ain s THR 10 Ca 0.41 -1.55 -0.00 0.00 0.31 0.00 0.00 61.69 60.86 2ain s THR 10 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2ain s THR 10 CO 0.28 -0.24 0.11 -0.76 -0.69 0.00 0.00 174.62 173.31 2ain s LEU 11 N 1.26 1.40 0.51 4.42 1.43 -1.10 -4.98 118.68 121.62 2ain s LEU 11 Ca -0.02 -1.35 0.08 0.00 -1.03 0.00 0.00 54.13 51.81 2ain s LEU 11 Cb -0.19 0.26 0.04 0.00 0.03 0.00 0.00 46.19 46.33 2ain s LEU 11 CO -0.08 -0.78 0.55 -0.54 0.23 0.00 0.00 176.35 175.72 2ain s LYS 12 N -4.10 2.39 0.02 1.70 1.02 -1.26 0.20 119.74 119.72 2ain s LYS 12 Ca 0.36 -1.70 -0.22 0.00 0.02 0.00 0.00 55.97 54.43 2ain s LYS 12 Cb 0.07 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 2ain s LYS 12 CO 0.11 -0.57 0.66 0.15 -0.92 0.00 0.00 175.35 174.78 2ain s LYS 13 N -4.39 4.39 -0.52 1.68 1.02 -1.06 -4.72 119.74 116.15 2ain s LYS 13 Ca 0.49 0.87 0.03 0.00 0.02 0.00 0.00 55.97 57.39 2ain s LYS 13 Cb -0.04 -3.34 0.15 0.00 -0.52 0.00 0.00 37.83 34.08 2ain s LYS 13 CO 0.30 0.36 0.34 -1.14 -0.92 0.00 0.00 175.35 174.28 2ain s GLN 14 N -0.22 1.60 -1.46 1.68 2.00 -1.26 -4.83 119.66 117.17 2ain s GLN 14 Ca 0.34 -2.46 -0.08 0.00 -2.00 0.00 0.00 55.36 51.16 2ain s GLN 14 Cb -0.19 -2.53 0.03 0.00 0.80 0.00 0.00 33.01 31.12 2ain s GLN 14 CO 0.20 -1.24 0.73 0.09 -0.50 0.00 0.00 175.29 174.57 2ain n ASN 15 N 2.90 -5.43 0.00 6.67 4.13 -1.26 -4.53 115.26 117.74 2ain n ASN 15 Ca 0.16 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2ain n ASN 15 Cb 0.37 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ain n GLY 16 N -1.55 1.89 0.13 7.41 0.00 -1.26 -4.88 105.19 106.94 2ain n GLY 16 Ca -0.05 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 0.36 -4.95 1.61 2.86 -1.96 -3.43 114.93 109.42 2ain h MET 17 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2ain h MET 17 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2ain h MET 17 CO 0.00 0.49 -0.60 0.41 1.06 0.00 0.00 176.91 178.27 2ain n GLY 18 N -0.50 -2.31 3.58 8.32 0.00 -1.26 -4.49 105.19 108.53 2ain n GLY 18 Ca -0.04 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 2ain n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ain n LEU 19 N 0.02 0.00 -4.08 0.99 -0.00 -1.26 0.93 117.00 113.59 2ain n LEU 19 Ca 0.07 -2.39 -0.19 0.00 -0.00 0.00 0.00 56.01 53.49 2ain n LEU 19 Cb 0.25 3.59 -0.14 0.00 -0.00 0.00 0.00 43.42 47.12 2ain n LEU 19 CO 0.41 -0.80 -0.45 -0.44 -0.00 0.00 0.00 177.39 176.11 2ain s SER 20 N -2.99 1.35 -0.00 1.45 0.01 0.12 -4.81 113.70 108.83 2ain s SER 20 Ca 0.15 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.12 2ain s SER 20 Cb -0.05 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 2ain s SER 20 CO 0.11 0.07 -0.03 0.27 0.41 0.00 0.00 173.24 174.07 2ain s ILE 21 N -0.53 0.24 -0.05 1.44 -5.25 -1.26 -0.92 121.20 114.87 2ain s ILE 21 Ca 0.02 -0.13 0.03 0.00 -0.99 0.00 0.00 60.65 59.58 2ain s ILE 21 Cb -0.06 -0.21 0.01 0.00 2.95 0.00 0.00 42.46 45.15 2ain s ILE 21 CO 0.00 0.07 -0.12 -0.69 -1.79 0.00 0.00 174.94 172.42 2ain s VAL 22 N -0.05 1.04 -0.20 8.37 1.01 0.19 -4.82 120.40 125.94 2ain s VAL 22 Ca 0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2ain s VAL 22 Cb -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2ain s VAL 22 CO -0.00 0.32 0.27 0.00 0.00 0.00 0.00 175.10 175.69 2ain s ALA 23 N 0.43 3.60 0.04 5.51 0.00 -1.26 -0.62 121.76 129.46 2ain s ALA 23 Ca -0.09 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2ain s ALA 23 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2ain s ALA 23 CO 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 175.76 175.59 2ain s ALA 24 N 0.83 0.95 0.52 0.00 0.00 -1.13 -4.96 121.76 117.97 2ain s ALA 24 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2ain s ALA 24 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2ain s ALA 24 CO 0.04 0.14 0.01 1.17 0.00 0.00 0.00 175.76 177.12 2ain n LYS 25 N 1.77 0.75 0.00 0.00 4.81 -1.26 -3.24 118.16 120.99 2ain n LYS 25 Ca -0.19 -3.76 0.00 0.00 -0.87 0.00 0.00 58.31 53.49 2ain n LYS 25 Cb 0.55 0.99 0.00 0.00 0.02 0.00 0.00 35.03 36.59 2ain n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ain n GLY 26 N -1.18 3.31 3.64 3.14 0.00 -1.26 -5.11 105.19 107.73 2ain n GLY 26 Ca -0.21 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 3.16 -1.26 4.61 0.00 -1.26 -4.57 121.76 121.44 2ain s ALA 27 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2ain s ALA 27 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2ain s ALA 27 CO 0.00 0.62 1.08 0.41 0.00 0.00 0.00 175.76 177.87 2ain n GLY 28 N 1.60 -0.44 2.67 0.00 0.00 -1.26 -5.00 105.19 102.76 2ain n GLY 28 Ca -0.16 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.84 0.42 -0.15 1.61 2.00 -1.26 -4.99 119.66 111.44 2ain s GLN 29 Ca 0.30 -0.38 0.09 0.00 -2.00 0.00 0.00 55.36 53.38 2ain s GLN 29 Cb -0.13 -1.91 0.52 0.00 0.80 0.00 0.00 33.01 32.29 2ain s GLN 29 CO 0.72 -0.72 1.29 -0.40 -0.50 0.00 0.00 175.29 175.68 2ain n ASP 30 N 5.13 4.02 -0.61 6.67 5.75 -1.26 -4.86 116.55 131.39 2ain n ASP 30 Ca -0.07 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 2ain n ASP 30 Cb 0.47 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ain n LYS 31 N 0.40 0.00 -4.07 0.11 4.76 -1.26 -4.82 118.16 113.27 2ain n LYS 31 Ca 0.18 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2ain n LYS 31 Cb 0.86 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.93 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 2.31 -0.31 -0.35 2.96 -1.26 -4.81 118.68 117.22 2ain s LEU 32 Ca 0.00 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 2ain s LEU 32 Cb 0.00 -0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.61 2ain s LEU 32 CO 0.00 -0.27 0.04 -0.83 -1.32 0.00 0.00 176.35 173.97 2ain s GLY 33 N -1.86 1.77 -1.39 7.98 0.00 -1.20 -4.12 107.32 108.50 2ain s GLY 33 Ca -0.06 -1.67 -0.15 0.00 0.00 0.00 0.00 44.72 42.84 2ain s GLY 33 CO -0.01 0.69 2.03 1.39 0.00 0.00 0.00 173.10 177.20 2ain n ILE 34 N 4.73 3.71 -1.60 0.90 2.08 -1.26 -2.84 119.36 125.08 2ain n ILE 34 Ca -0.14 -3.51 -0.33 0.00 0.56 0.00 0.00 62.75 59.33 2ain n ILE 34 Cb 0.45 -2.51 0.07 0.00 -0.75 0.00 0.00 39.64 36.90 2ain n ILE 34 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2ain s TYR 35 N 3.09 2.43 -0.24 1.39 2.02 0.21 -2.74 117.35 123.51 2ain s TYR 35 Ca 0.48 1.57 -0.17 0.00 -0.37 0.00 0.00 57.07 58.59 2ain s TYR 35 Cb 0.10 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2ain s TYR 35 CO -0.03 -1.98 0.45 0.08 -1.57 0.00 0.00 175.55 172.50 2ain s VAL 36 N -2.29 5.13 -0.01 0.71 1.01 -0.11 0.53 120.40 125.36 2ain s VAL 36 Ca 0.68 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.40 2ain s VAL 36 Cb -0.23 -3.77 -0.28 0.00 0.00 0.00 0.00 36.38 32.11 2ain s VAL 36 CO 0.44 0.15 0.79 0.50 0.00 0.00 0.00 175.10 176.97 2ain h LYS 37 N 7.87 0.25 -2.25 2.72 1.63 -1.35 0.30 116.57 125.74 2ain h LYS 37 Ca -0.32 -0.43 0.22 0.00 -0.85 0.00 0.00 60.65 59.28 2ain h LYS 37 Cb 1.15 0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.88 2ain h LYS 37 CO 0.70 1.10 0.65 0.45 -3.45 0.00 0.00 179.45 178.90 2ain s SER 38 N -6.96 -0.05 -0.07 4.20 0.15 -1.21 -4.59 113.70 105.17 2ain s SER 38 Ca -0.10 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 2ain s SER 38 Cb 0.07 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2ain s SER 38 CO 0.84 -0.76 0.05 -0.69 1.20 0.00 0.00 173.24 173.88 2ain s VAL 39 N -2.46 0.06 0.04 4.45 1.01 -1.26 0.15 120.40 122.39 2ain s VAL 39 Ca 0.19 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2ain s VAL 39 Cb -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 2ain s VAL 39 CO 0.02 0.12 1.48 -0.69 0.00 0.00 0.00 175.10 176.03 2ain s VAL 40 N 2.09 3.43 0.69 2.92 1.01 0.26 -4.91 120.40 125.89 2ain s VAL 40 Ca 0.04 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 62.74 2ain s VAL 40 Cb -0.13 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2ain s VAL 40 CO -0.05 0.01 1.20 -0.75 0.00 0.00 0.00 175.10 175.51 2ain s LYS 41 N 2.27 2.43 0.00 2.72 2.47 -1.26 -3.49 119.74 124.88 2ain s LYS 41 Ca 0.67 1.74 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 2ain s LYS 41 Cb -0.35 -1.87 0.00 0.00 -1.46 0.00 0.00 37.83 34.15 2ain s LYS 41 CO 0.29 -1.61 0.00 0.41 0.16 0.00 0.00 175.35 174.60 2ain n GLY 42 N 0.32 2.87 3.80 5.54 0.00 -1.26 -5.06 105.19 111.41 2ain n GLY 42 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.90 2.12 0.54 -0.02 0.00 -1.23 -4.85 107.32 100.97 2ain s GLY 43 Ca 0.00 0.39 0.25 0.00 0.00 0.00 0.00 44.72 45.35 2ain s GLY 43 CO 0.00 0.70 2.02 0.00 0.00 0.00 0.00 173.10 175.82 2ain h ALA 44 N 0.41 2.39 0.03 3.20 0.00 -1.83 -1.51 119.26 121.96 2ain h ALA 44 Ca -0.47 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2ain h ALA 44 Cb 1.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2ain h ALA 44 CO 0.57 -0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.17 2ain h ALA 45 N 1.76 -0.12 0.04 0.00 0.00 -1.88 -0.02 119.26 119.04 2ain h ALA 45 Ca 0.21 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2ain h ALA 45 Cb 0.87 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ain h ALA 45 CO -0.00 -0.59 -1.01 0.38 0.00 0.00 0.00 179.25 178.03 2ain h ASP 46 N -0.17 0.39 -0.27 0.00 2.03 -1.73 -3.07 116.42 113.61 2ain h ASP 46 Ca 0.02 -0.34 -0.03 0.00 -0.73 0.00 0.00 57.03 55.95 2ain h ASP 46 Cb 0.19 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 2ain h ASP 46 CO -0.07 1.18 0.07 0.58 -1.03 0.00 0.00 179.24 179.97 2ain h VAL 47 N 0.14 1.17 -0.18 4.15 2.07 -1.16 -2.77 116.25 119.67 2ain h VAL 47 Ca -0.08 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 2ain h VAL 47 Cb 1.67 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2ain h VAL 47 CO 0.16 0.22 -0.38 -0.78 0.02 0.00 0.00 177.57 176.81 2ain h ASP 48 N 0.50 0.66 -0.50 0.57 3.58 -1.01 -3.49 116.42 116.73 2ain h ASP 48 Ca 0.12 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2ain h ASP 48 Cb 0.22 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ain h ASP 48 CO -0.00 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 2ain n GLY 49 N 0.43 0.94 1.36 -0.78 0.00 -1.05 -5.02 105.19 101.08 2ain n GLY 49 Ca -0.06 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.67 2ain n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ain n ARG 50 N -0.25 1.07 -3.74 1.61 5.12 -1.25 -5.07 116.66 114.15 2ain n ARG 50 Ca 0.00 -2.82 -0.10 0.00 -1.93 0.00 0.00 57.85 53.00 2ain n ARG 50 Cb 0.23 -0.95 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 2ain n ARG 50 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2ain s LEU 51 N -1.89 0.85 -0.24 0.55 1.43 -1.26 -5.02 118.68 113.11 2ain s LEU 51 Ca 0.36 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 2ain s LEU 51 Cb 0.38 1.48 0.12 0.00 0.03 0.00 0.00 46.19 48.20 2ain s LEU 51 CO -0.10 -0.81 1.01 0.00 0.23 0.00 0.00 176.35 176.68 2ain s ALA 52 N -3.84 -1.95 0.23 4.21 0.00 -1.26 -4.99 121.76 114.16 2ain s ALA 52 Ca 0.04 1.77 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 2ain s ALA 52 Cb 0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.87 2ain s ALA 52 CO -0.11 -0.26 1.57 0.00 0.00 0.00 0.00 175.76 176.95 2ain s ALA 53 N -0.23 3.75 0.00 0.00 0.00 -1.26 -3.49 121.76 120.53 2ain s ALA 53 Ca 0.01 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2ain s ALA 53 Cb -0.03 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2ain s ALA 53 CO -0.03 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.28 2ain n GLY 54 N 2.90 1.95 2.90 0.00 0.00 0.10 -4.99 105.19 108.06 2ain n GLY 54 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2ain n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ain n ASP 55 N 0.00 2.59 -4.24 1.61 8.00 -1.23 -4.88 116.55 118.40 2ain n ASP 55 Ca 0.00 -2.55 -0.21 0.00 0.71 0.00 0.00 54.79 52.74 2ain n ASP 55 Cb 0.00 0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 2ain n ASP 55 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2ain s GLN 56 N -3.64 1.01 0.10 -1.24 0.74 -1.26 -0.93 119.66 114.44 2ain s GLN 56 Ca 0.16 -1.11 0.06 0.00 0.05 0.00 0.00 55.36 54.52 2ain s GLN 56 Cb -0.01 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.93 2ain s GLN 56 CO 0.10 0.25 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.55 2ain s LEU 57 N -1.94 3.32 0.12 3.68 2.01 -1.11 -1.67 118.68 123.08 2ain s LEU 57 Ca 0.04 -0.25 0.00 0.00 0.01 0.00 0.00 54.13 53.93 2ain s LEU 57 Cb -0.09 -2.07 0.00 0.00 0.01 0.00 0.00 46.19 44.04 2ain s LEU 57 CO 0.04 0.17 0.00 -0.11 1.01 0.00 0.00 176.35 177.46 2ain n LEU 58 N 0.59 0.56 -4.04 1.79 0.00 -0.76 -4.34 117.00 110.81 2ain n LEU 58 Ca -0.12 0.19 -0.09 0.00 0.00 0.00 0.00 56.01 55.99 2ain n LEU 58 Cb 0.52 -0.09 -0.11 0.00 0.00 0.00 0.00 43.42 43.75 2ain n LEU 58 CO 0.37 -0.62 -0.37 -0.94 0.00 0.00 0.00 177.39 175.83 2ain s SER 59 N -5.54 0.46 -0.03 1.96 1.04 -1.26 -3.90 113.70 106.44 2ain s SER 59 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2ain s SER 59 Cb 0.00 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.26 2ain s SER 59 CO 0.00 -0.38 0.01 -0.69 0.98 0.00 0.00 173.24 173.16 2ain s VAL 60 N -2.27 0.15 -1.51 5.02 1.01 -1.14 -1.13 120.40 120.52 2ain s VAL 60 Ca -0.07 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2ain s VAL 60 Cb -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2ain s VAL 60 CO -0.04 0.15 0.48 -0.67 0.00 0.00 0.00 175.10 175.02 2ain n ASP 61 N 4.23 -5.57 -0.90 3.32 -0.08 0.16 -1.00 116.55 116.71 2ain n ASP 61 Ca -0.25 -0.24 -0.11 0.00 -1.51 0.00 0.00 54.79 52.68 2ain n ASP 61 Cb 0.50 -4.54 -0.04 0.00 2.34 0.00 0.00 41.12 39.39 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 -1.36 0.96 3.77 0.27 0.00 -1.26 -4.95 105.19 102.62 2ain n GLY 62 Ca -0.12 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 2ain n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ain s ARG 63 N -3.22 2.76 -0.56 1.61 3.00 -0.17 -5.08 118.95 117.29 2ain s ARG 63 Ca 0.00 -1.03 -0.14 0.00 -1.00 0.00 0.00 55.73 53.56 2ain s ARG 63 Cb 0.00 -2.52 0.14 0.00 0.00 0.00 0.00 34.95 32.57 2ain s ARG 63 CO 0.00 0.44 0.50 0.45 0.00 0.00 0.00 175.30 176.69 2ain s SER 64 N -3.38 6.15 -0.36 -2.12 0.15 -1.26 -2.89 113.70 109.99 2ain s SER 64 Ca 0.31 -1.92 0.07 0.00 0.70 0.00 0.00 55.95 55.11 2ain s SER 64 Cb -0.09 -2.17 0.60 0.00 -1.71 0.00 0.00 66.02 62.66 2ain s SER 64 CO 0.23 -0.80 1.70 0.00 1.20 0.00 0.00 173.24 175.57 2ain n LEU 65 N 5.04 5.46 -4.47 3.45 -0.00 -1.25 -4.92 117.00 120.30 2ain n LEU 65 Ca -0.10 -3.62 -0.43 0.00 -0.00 0.00 0.00 56.01 51.87 2ain n LEU 65 Cb 0.41 -0.73 -0.04 0.00 -0.00 0.00 0.00 43.42 43.06 2ain n LEU 65 CO 0.50 1.10 0.78 -0.69 -0.00 0.00 0.00 177.39 179.07 2ain s VAL 66 N -3.23 4.30 0.00 1.47 1.01 -1.26 -3.70 120.40 118.99 2ain s VAL 66 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2ain s VAL 66 Cb 0.44 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2ain s VAL 66 CO 0.06 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.35 2ain n GLY 67 N 5.30 1.83 3.44 4.51 0.00 -1.26 -4.76 105.19 114.24 2ain n GLY 67 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 2.48 0.74 0.99 1.43 -1.24 -4.77 118.68 118.30 2ain s LEU 68 Ca 0.00 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 2ain s LEU 68 Cb 0.00 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.10 2ain s LEU 68 CO 0.00 0.10 1.12 -0.94 0.23 0.00 0.00 176.35 176.86 2ain s SER 69 N -2.87 4.54 0.29 2.29 1.04 -1.26 -4.71 113.70 113.02 2ain s SER 69 Ca 0.23 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.69 2ain s SER 69 Cb -0.07 -2.55 0.67 0.00 0.10 0.00 0.00 66.02 64.18 2ain s SER 69 CO 0.11 -2.01 1.79 -0.61 0.98 0.00 0.00 173.24 173.49 2ain h GLN 70 N -0.66 0.78 0.27 4.02 4.15 -1.99 0.49 115.11 122.17 2ain h GLN 70 Ca -0.45 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 2ain h GLN 70 Cb 1.25 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 2ain h GLN 70 CO 0.51 0.52 -0.20 1.49 -1.93 0.00 0.00 178.83 179.22 2ain h GLU 71 N 0.80 -0.45 -0.84 1.69 4.57 -2.00 -1.77 114.58 116.58 2ain h GLU 71 Ca 0.55 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.75 2ain h GLU 71 Cb 0.78 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 2ain h GLU 71 CO -0.35 -0.30 0.48 0.00 -1.18 0.00 0.00 179.01 177.65 2ain h ARG 72 N -0.47 1.16 0.37 1.92 2.47 -1.69 -0.73 114.38 117.41 2ain h ARG 72 Ca -0.02 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 2ain h ARG 72 Cb 0.41 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2ain h ARG 72 CO 0.00 0.84 -0.37 0.00 0.56 0.00 0.00 179.97 181.00 2ain h ALA 73 N 1.35 -1.05 0.75 0.04 0.00 -0.58 0.10 119.26 119.87 2ain h ALA 73 Ca 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ain h ALA 73 Cb -0.00 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ain h ALA 73 CO -0.05 -1.07 -0.44 0.00 0.00 0.00 0.00 179.25 177.69 2ain h ALA 74 N -1.15 -1.26 -0.98 0.00 0.00 -1.27 -2.87 119.26 111.73 2ain h ALA 74 Ca -0.05 -0.23 0.30 0.00 0.00 0.00 0.00 54.91 54.93 2ain h ALA 74 Cb 0.64 0.53 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 2ain h ALA 74 CO -0.04 -1.20 0.16 1.49 0.00 0.00 0.00 179.25 179.65 2ain h GLU 75 N -1.10 0.03 -0.81 0.00 4.81 -1.15 0.82 114.58 117.18 2ain h GLU 75 Ca -0.10 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2ain h GLU 75 Cb 0.87 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 2ain h GLU 75 CO 0.12 0.02 0.51 -0.07 -0.73 0.00 0.00 179.01 178.86 2ain h LEU 76 N 0.03 0.82 0.00 1.64 3.38 -0.58 -2.16 115.31 118.44 2ain h LEU 76 Ca 0.65 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.44 2ain h LEU 76 Cb 1.44 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2ain h LEU 76 CO -0.86 0.55 -0.93 0.24 0.09 0.00 0.00 178.44 177.54 2ain h MET 77 N 0.97 0.00 -0.13 1.13 2.86 0.52 -3.27 114.93 117.00 2ain h MET 77 Ca 0.34 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2ain h MET 77 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2ain h MET 77 CO -0.14 0.83 -0.05 1.15 1.06 0.00 0.00 176.91 179.77 2ain h THR 78 N 0.00 1.12 -1.26 2.22 2.02 0.73 -2.64 112.91 115.09 2ain h THR 78 Ca -0.03 -0.48 -0.70 0.00 0.77 0.00 0.00 66.41 65.97 2ain h THR 78 Cb 1.68 1.07 -0.29 0.00 -1.74 0.00 0.00 68.15 68.87 2ain h THR 78 CO 0.11 0.15 0.83 0.54 0.37 0.00 0.00 175.52 177.53 2ain n ARG 79 N -4.38 2.76 -2.23 6.66 1.74 -0.89 -5.00 116.66 115.32 2ain n ARG 79 Ca -0.01 -3.41 -0.26 0.00 -0.77 0.00 0.00 57.85 53.40 2ain n ARG 79 Cb 0.19 -2.28 0.06 0.00 -1.02 0.00 0.00 32.46 29.40 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 -4.90 2.66 0.00 0.55 -4.23 -1.00 -5.04 115.64 103.68 2ain s THR 80 Ca 0.61 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2ain s THR 80 Cb 0.49 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2ain s THR 80 CO -0.12 -0.14 0.00 -1.54 -0.54 0.00 0.00 174.62 172.28 2ain n SER 81 N -2.84 0.00 -0.07 3.99 3.41 -1.26 -4.99 113.62 111.86 2ain n SER 81 Ca 0.07 -0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 58.04 2ain n SER 81 Cb 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ain h SER 82 N 0.00 -0.67 -3.17 4.04 4.64 -1.99 -3.41 113.55 112.99 2ain h SER 82 Ca 0.00 0.13 -0.58 0.00 -0.47 0.00 0.00 61.79 60.87 2ain h SER 82 Cb 0.00 0.33 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2ain h SER 82 CO 0.00 -0.24 -0.13 -0.69 -0.87 0.00 0.00 176.83 174.90 2ain s VAL 83 N -6.12 4.91 -0.21 0.95 1.01 -1.26 -2.56 120.40 117.12 2ain s VAL 83 Ca -0.14 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 2ain s VAL 83 Cb 0.13 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.80 2ain s VAL 83 CO 0.69 0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 175.52 2ain s VAL 84 N -1.22 1.19 -0.60 2.92 1.01 0.13 -4.96 120.40 118.87 2ain s VAL 84 Ca 0.30 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2ain s VAL 84 Cb -0.17 -1.50 0.15 0.00 0.00 0.00 0.00 36.38 34.86 2ain s VAL 84 CO 0.17 -0.09 0.54 -0.89 0.00 0.00 0.00 175.10 174.83 2ain s THR 85 N 1.56 5.13 -0.12 3.92 2.01 -1.26 -2.72 115.64 124.16 2ain s THR 85 Ca -0.03 -1.79 -0.04 0.00 0.31 0.00 0.00 61.69 60.13 2ain s THR 85 Cb -0.18 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2ain s THR 85 CO -0.07 -0.89 0.04 -0.76 -0.69 0.00 0.00 174.62 172.24 2ain s LEU 86 N 1.21 3.74 -0.39 4.42 1.02 -1.02 0.36 118.68 128.01 2ain s LEU 86 Ca 0.07 0.15 -0.09 0.00 0.02 0.00 0.00 54.13 54.28 2ain s LEU 86 Cb -0.25 -1.89 0.06 0.00 0.02 0.00 0.00 46.19 44.12 2ain s LEU 86 CO -0.00 0.31 0.21 -0.70 0.02 0.00 0.00 176.35 176.19 2ain s GLU 87 N -0.46 2.66 0.12 1.70 2.12 -0.29 -0.81 118.70 123.75 2ain s GLU 87 Ca 0.09 -1.30 0.05 0.00 0.36 0.00 0.00 54.97 54.17 2ain s GLU 87 Cb -0.12 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 2ain s GLU 87 CO 0.02 -0.83 0.05 0.54 -0.54 0.00 0.00 175.26 174.50 2ain s VAL 88 N 1.46 4.20 -0.57 3.70 0.11 0.15 -1.83 120.40 127.61 2ain s VAL 88 Ca 0.02 -1.03 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 2ain s VAL 88 Cb -0.21 -3.05 0.14 0.00 -1.53 0.00 0.00 36.38 31.72 2ain s VAL 88 CO 0.04 0.03 0.51 0.00 -3.33 0.00 0.00 175.10 172.35 2ain s ALA 89 N -1.49 3.67 -0.35 1.54 0.00 -0.67 -1.74 121.76 122.72 2ain s ALA 89 Ca 0.28 -2.64 -0.28 0.00 0.00 0.00 0.00 51.96 49.32 2ain s ALA 89 Cb -0.11 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2ain s ALA 89 CO 0.20 -2.04 1.79 0.15 0.00 0.00 0.00 175.76 175.87 2ain s LYS 90 N 1.39 3.29 0.23 0.00 1.02 0.11 -4.18 119.74 121.60 2ain s LYS 90 Ca 0.05 1.35 0.06 0.00 0.02 0.00 0.00 55.97 57.45 2ain s LYS 90 Cb -0.27 -4.21 -0.05 0.00 -0.52 0.00 0.00 37.83 32.78 2ain s LYS 90 CO 0.01 -1.91 -0.07 1.14 -0.92 0.00 0.00 175.35 173.60 2ain s GLN 91 N 5.74 1.37 0.00 1.68 -2.07 -1.26 -3.79 119.66 121.32 2ain s GLN 91 Ca 0.78 -1.66 0.29 0.00 -1.82 0.00 0.00 55.36 52.96 2ain s GLN 91 Cb -0.21 -0.93 1.30 0.00 -1.09 0.00 0.00 33.01 32.08 2ain s GLN 91 CO 0.33 0.04 1.93 0.41 -1.32 0.00 0.00 175.29 176.68 2ain n GLY 92 N -0.43 -1.25 3.60 2.60 0.00 -1.26 -5.06 105.19 103.39 2ain n GLY 92 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32