#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 -1.11 -3.47 3.17 4.76 -1.26 -4.75 118.16 115.50 2ain n LYS 2 Ca 0.00 0.73 -0.37 0.00 -2.87 0.00 0.00 58.31 55.80 2ain n LYS 2 Cb 0.00 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 31.77 2ain n LYS 2 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2ain s GLU 3 N -0.90 4.24 0.00 1.97 2.02 -1.26 -5.09 118.70 119.69 2ain s GLU 3 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2ain s GLU 3 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2ain s GLU 3 CO 0.00 0.26 0.00 -2.30 0.02 0.00 0.00 175.26 173.24 2ain n PRO 4 N 3.44 -0.21 -3.73 0.39 -0.02 -1.26 -5.03 135.00 128.58 2ain n PRO 4 Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 2ain n PRO 4 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.85 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 -1.33 0.71 -0.14 -0.52 2.12 -1.16 -4.99 118.70 113.40 2ain s GLU 5 Ca 0.00 -0.96 -0.20 0.00 0.36 0.00 0.00 54.97 54.17 2ain s GLU 5 Cb 0.00 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2ain s GLU 5 CO 0.00 -0.93 0.55 0.42 -0.54 0.00 0.00 175.26 174.76 2ain s ILE 6 N 1.66 5.12 -0.08 -3.70 -1.09 -1.26 -0.74 121.20 121.11 2ain s ILE 6 Ca 0.08 1.07 -0.06 0.00 -2.23 0.00 0.00 60.65 59.51 2ain s ILE 6 Cb -0.17 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2ain s ILE 6 CO -0.23 0.24 0.20 0.27 -1.23 0.00 0.00 174.94 174.19 2ain s ILE 7 N 1.10 -0.01 0.01 2.92 -5.25 -0.86 -5.02 121.20 114.10 2ain s ILE 7 Ca 0.28 0.03 -0.16 0.00 -0.99 0.00 0.00 60.65 59.81 2ain s ILE 7 Cb -0.16 -0.29 -0.06 0.00 2.95 0.00 0.00 42.46 44.91 2ain s ILE 7 CO 0.11 0.01 0.45 -0.89 -1.79 0.00 0.00 174.94 172.84 2ain s THR 8 N 0.34 4.96 -0.20 8.37 2.01 -1.26 -0.64 115.64 129.22 2ain s THR 8 Ca -0.02 0.95 0.01 0.00 0.31 0.00 0.00 61.69 62.94 2ain s THR 8 Cb -0.03 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.74 2ain s THR 8 CO -0.01 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 2ain s VAL 9 N -0.98 2.17 -0.40 3.82 1.01 0.12 -4.94 120.40 121.20 2ain s VAL 9 Ca 0.25 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2ain s VAL 9 Cb -0.17 -1.99 0.09 0.00 0.00 0.00 0.00 36.38 34.31 2ain s VAL 9 CO 0.15 0.41 0.20 -0.89 0.00 0.00 0.00 175.10 174.97 2ain s THR 10 N 1.26 3.58 0.13 3.92 2.01 -1.25 -1.41 115.64 123.88 2ain s THR 10 Ca 0.02 -1.76 0.05 0.00 0.31 0.00 0.00 61.69 60.31 2ain s THR 10 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2ain s THR 10 CO -0.11 -0.57 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.39 2ain s LEU 11 N 1.25 2.47 0.08 4.42 1.43 -1.00 -4.94 118.68 122.39 2ain s LEU 11 Ca 0.05 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 2ain s LEU 11 Cb -0.23 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 2ain s LEU 11 CO -0.02 -0.27 0.78 -0.54 0.23 0.00 0.00 176.35 176.54 2ain s LYS 12 N -3.27 4.53 -0.69 1.70 -0.14 -1.26 -0.21 119.74 120.40 2ain s LYS 12 Ca 0.12 1.12 -0.26 0.00 -1.36 0.00 0.00 55.97 55.60 2ain s LYS 12 Cb -0.01 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 2ain s LYS 12 CO 0.01 0.35 1.97 0.21 -0.76 0.00 0.00 175.35 177.14 2ain s LYS 13 N -0.34 2.50 -0.52 1.68 2.20 0.12 -4.91 119.74 120.46 2ain s LYS 13 Ca 0.38 0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 56.29 2ain s LYS 13 Cb -0.21 -4.62 0.13 0.00 -1.51 0.00 0.00 37.83 31.62 2ain s LYS 13 CO 0.24 -3.06 0.46 1.14 -0.36 0.00 0.00 175.35 173.77 2ain s GLN 14 N 7.26 2.86 -1.43 4.03 1.03 -1.26 -4.49 119.66 127.67 2ain s GLN 14 Ca 0.72 -1.72 -0.07 0.00 0.04 0.00 0.00 55.36 54.34 2ain s GLN 14 Cb -0.11 -4.20 0.03 0.00 0.03 0.00 0.00 33.01 28.76 2ain s GLN 14 CO 0.15 -1.29 0.54 0.09 -2.54 0.00 0.00 175.29 172.24 2ain n ASN 15 N 5.16 -5.01 0.00 12.60 3.02 -1.26 -4.07 115.26 125.70 2ain n ASN 15 Ca -0.12 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2ain n ASN 15 Cb 0.40 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ain n GLY 16 N -1.35 -2.64 0.10 7.41 0.00 -1.26 -4.79 105.19 102.66 2ain n GLY 16 Ca -0.07 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2ain n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ain n MET 17 N -0.17 0.74 -2.68 1.61 2.81 -1.26 -2.24 117.12 115.93 2ain n MET 17 Ca 0.00 0.09 -0.07 0.00 -1.81 0.00 0.00 57.70 55.91 2ain n MET 17 Cb 0.00 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.07 2ain n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ain n GLY 18 N 2.27 -1.23 3.81 3.03 0.00 -1.26 -2.06 105.19 109.75 2ain n GLY 18 Ca -0.36 1.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.43 0.03 0.12 0.99 0.05 -1.26 0.87 118.68 117.05 2ain s LEU 19 Ca 0.21 -1.17 0.04 0.00 0.05 0.00 0.00 54.13 53.27 2ain s LEU 19 Cb -0.06 2.80 -0.04 0.00 -2.05 0.00 0.00 46.19 46.84 2ain s LEU 19 CO 0.67 -1.67 -0.10 -0.44 -0.55 0.00 0.00 176.35 174.25 2ain s SER 20 N -3.12 1.62 -0.01 1.48 0.01 0.10 -4.78 113.70 109.01 2ain s SER 20 Ca 0.16 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 2ain s SER 20 Cb -0.05 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2ain s SER 20 CO 0.11 -0.28 0.10 0.27 0.41 0.00 0.00 173.24 173.86 2ain s ILE 21 N -2.74 0.06 -0.03 1.44 -5.25 -1.26 -1.51 121.20 111.91 2ain s ILE 21 Ca 0.10 -0.50 0.02 0.00 -0.99 0.00 0.00 60.65 59.27 2ain s ILE 21 Cb -0.01 -0.32 0.01 0.00 2.95 0.00 0.00 42.46 45.09 2ain s ILE 21 CO 0.00 -0.28 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.12 2ain s VAL 22 N -0.93 0.61 -0.23 8.37 1.01 0.13 -4.72 120.40 124.64 2ain s VAL 22 Ca -0.10 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2ain s VAL 22 Cb -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2ain s VAL 22 CO 0.01 0.21 0.50 0.00 0.00 0.00 0.00 175.10 175.81 2ain s ALA 23 N 0.35 3.57 0.04 5.51 0.00 -1.26 -1.00 121.76 128.96 2ain s ALA 23 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2ain s ALA 23 Cb -0.09 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 2ain s ALA 23 CO 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 175.76 175.11 2ain s ALA 24 N 1.94 0.57 0.54 0.00 0.00 -1.18 -5.00 121.76 118.64 2ain s ALA 24 Ca 0.22 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2ain s ALA 24 Cb -0.15 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.03 2ain s ALA 24 CO 0.09 -0.01 0.30 1.17 0.00 0.00 0.00 175.76 177.31 2ain n LYS 25 N 1.55 0.69 0.00 0.00 4.81 -1.26 -3.54 118.16 120.40 2ain n LYS 25 Ca -0.22 -3.55 0.00 0.00 -0.87 0.00 0.00 58.31 53.67 2ain n LYS 25 Cb 0.55 0.55 0.00 0.00 0.02 0.00 0.00 35.03 36.14 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 -1.55 3.17 3.68 3.14 0.00 -1.26 -5.10 105.19 107.27 2ain n GLY 26 Ca -0.07 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 3.27 -1.33 4.61 0.00 -1.26 -4.53 121.76 121.53 2ain s ALA 27 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 2ain s ALA 27 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2ain s ALA 27 CO 0.00 0.66 1.16 0.41 0.00 0.00 0.00 175.76 177.99 2ain n GLY 28 N 1.19 -0.51 2.72 0.00 0.00 -1.26 -4.99 105.19 102.34 2ain n GLY 28 Ca -0.14 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.20 0.64 -0.13 1.61 2.00 -1.26 -4.99 119.66 111.33 2ain s GLN 29 Ca 0.52 -0.58 0.08 0.00 -2.00 0.00 0.00 55.36 53.38 2ain s GLN 29 Cb -0.23 -2.01 0.47 0.00 0.80 0.00 0.00 33.01 32.04 2ain s GLN 29 CO 0.72 -0.75 1.22 -3.47 -0.50 0.00 0.00 175.29 172.51 2ain n ASP 30 N 5.02 3.68 -1.34 6.67 -0.08 -1.26 -4.85 116.55 124.38 2ain n ASP 30 Ca -0.07 -2.52 -0.03 0.00 -1.51 0.00 0.00 54.79 50.66 2ain n ASP 30 Cb 0.45 -0.60 -0.01 0.00 2.34 0.00 0.00 41.12 43.31 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ain n LYS 31 N 0.37 0.11 -5.08 -0.67 4.76 -1.26 -4.93 118.16 111.46 2ain n LYS 31 Ca 0.16 -0.48 -0.29 0.00 -2.87 0.00 0.00 58.31 54.83 2ain n LYS 31 Cb 0.78 0.45 -0.16 0.00 -1.84 0.00 0.00 35.03 34.26 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 2.01 -0.23 -0.35 1.98 -1.26 -4.89 118.68 115.94 2ain s LEU 32 Ca 0.05 -0.42 -0.09 0.00 -2.89 0.00 0.00 54.13 50.78 2ain s LEU 32 Cb -0.00 -1.17 -0.04 0.00 0.66 0.00 0.00 46.19 45.64 2ain s LEU 32 CO 0.04 0.23 0.12 -0.83 -1.89 0.00 0.00 176.35 174.02 2ain s GLY 33 N -0.25 1.93 -1.13 7.98 0.00 -1.23 -3.83 107.32 110.79 2ain s GLY 33 Ca 0.01 -0.90 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 2ain s GLY 33 CO 0.01 0.34 1.46 -0.42 0.00 0.00 0.00 173.10 174.50 2ain s ILE 34 N 1.00 4.42 0.83 0.90 -1.09 -1.26 -3.12 121.20 122.88 2ain s ILE 34 Ca 0.06 -1.73 -0.12 0.00 -2.23 0.00 0.00 60.65 56.63 2ain s ILE 34 Cb -0.14 -5.01 0.09 0.00 -1.58 0.00 0.00 42.46 35.83 2ain s ILE 34 CO 0.04 -1.80 1.15 -0.31 -1.23 0.00 0.00 174.94 172.79 2ain s TYR 35 N 3.44 2.82 -0.19 3.97 2.02 -0.17 -2.02 117.35 127.23 2ain s TYR 35 Ca 0.45 0.86 -0.07 0.00 -0.37 0.00 0.00 57.07 57.94 2ain s TYR 35 Cb -0.01 -3.37 -0.04 0.00 -0.40 0.00 0.00 41.96 38.14 2ain s TYR 35 CO -0.02 -1.92 0.06 0.08 -1.57 0.00 0.00 175.55 172.17 2ain s VAL 36 N -3.40 4.69 -0.10 0.71 1.01 0.31 0.18 120.40 123.80 2ain s VAL 36 Ca 0.62 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 2ain s VAL 36 Cb -0.13 -3.12 -0.28 0.00 0.00 0.00 0.00 36.38 32.86 2ain s VAL 36 CO 0.51 0.45 0.68 0.50 0.00 0.00 0.00 175.10 177.24 2ain h LYS 37 N 6.83 0.21 -2.32 2.72 3.64 -1.56 0.10 116.57 126.19 2ain h LYS 37 Ca -0.36 -0.36 0.22 0.00 -1.27 0.00 0.00 60.65 58.87 2ain h LYS 37 Cb 1.17 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2ain h LYS 37 CO 0.69 1.17 0.66 -1.12 -2.27 0.00 0.00 179.45 178.58 2ain s SER 38 N -6.89 -0.03 -0.11 4.20 0.01 -1.25 -4.37 113.70 105.27 2ain s SER 38 Ca -0.18 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.61 2ain s SER 38 Cb 0.02 0.40 0.01 0.00 0.21 0.00 0.00 66.02 66.66 2ain s SER 38 CO 0.76 -0.78 -0.22 -0.69 0.41 0.00 0.00 173.24 172.73 2ain s VAL 39 N -2.31 1.94 -0.13 3.43 1.01 -1.26 0.02 120.40 123.09 2ain s VAL 39 Ca 0.21 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 2ain s VAL 39 Cb -0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2ain s VAL 39 CO 0.03 0.53 0.80 -0.69 0.00 0.00 0.00 175.10 175.77 2ain s VAL 40 N 0.58 4.93 0.46 2.92 1.01 0.25 -4.90 120.40 125.65 2ain s VAL 40 Ca -0.14 1.59 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 2ain s VAL 40 Cb -0.17 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2ain s VAL 40 CO 0.04 0.10 1.36 -0.54 0.00 0.00 0.00 175.10 176.06 2ain s LYS 41 N 1.71 3.64 0.00 2.72 3.01 -1.26 -2.95 119.74 126.60 2ain s LYS 41 Ca 0.38 2.26 0.00 0.00 -1.01 0.00 0.00 55.97 57.60 2ain s LYS 41 Cb -0.17 -2.57 0.00 0.00 -1.01 0.00 0.00 37.83 34.08 2ain s LYS 41 CO 0.15 -0.80 0.00 0.41 0.51 0.00 0.00 175.35 175.62 2ain n GLY 42 N 0.63 2.08 0.00 -3.33 0.00 -1.26 -5.03 105.19 98.27 2ain n GLY 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2ain n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ain n GLY 43 N -2.00 -0.36 0.08 -0.02 0.00 -1.15 -4.90 105.19 96.83 2ain n GLY 43 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 2ain n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain n ALA 44 N -3.00 0.64 0.27 4.61 0.00 -0.87 -3.86 120.51 118.30 2ain n ALA 44 Ca 0.00 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 52.96 2ain n ALA 44 Cb 0.00 0.02 0.78 0.00 0.00 0.00 0.00 19.45 20.25 2ain n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain h ALA 45 N -1.05 1.56 -0.05 0.00 0.00 -1.86 0.16 119.26 118.03 2ain h ALA 45 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ain h ALA 45 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ain h ALA 45 CO 0.00 0.07 -0.15 0.22 0.00 0.00 0.00 179.25 179.38 2ain h ASP 46 N 0.00 0.22 0.02 0.00 1.82 -1.78 0.26 116.42 116.96 2ain h ASP 46 Ca -0.00 -0.61 -0.21 0.00 -0.39 0.00 0.00 57.03 55.82 2ain h ASP 46 Cb 0.12 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2ain h ASP 46 CO 0.01 0.79 -0.75 0.58 -1.61 0.00 0.00 179.24 178.26 2ain h VAL 47 N -0.34 1.32 -0.03 2.25 2.07 -1.59 -3.30 116.25 116.63 2ain h VAL 47 Ca -0.00 -2.03 -0.13 0.00 0.82 0.00 0.00 66.70 65.35 2ain h VAL 47 Cb 0.77 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2ain h VAL 47 CO 0.03 0.63 -0.48 0.44 0.02 0.00 0.00 177.57 178.21 2ain h ASP 48 N 0.43 0.47 -0.75 0.57 3.32 -0.77 -3.49 116.42 116.20 2ain h ASP 48 Ca -0.04 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2ain h ASP 48 Cb 1.36 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2ain h ASP 48 CO 0.14 1.13 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 2ain n GLY 49 N 0.93 0.70 1.58 2.75 0.00 0.86 -5.06 105.19 106.96 2ain n GLY 49 Ca -0.09 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.30 0.14 -3.95 1.61 5.12 -0.88 -5.05 116.66 113.33 2ain n ARG 50 Ca 0.00 -2.06 -0.09 0.00 -1.93 0.00 0.00 57.85 53.77 2ain n ARG 50 Cb 0.12 -0.10 -0.04 0.00 -1.16 0.00 0.00 32.46 31.29 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 -0.30 0.18 -0.26 0.55 1.43 -1.26 -5.01 118.68 114.01 2ain s LEU 51 Ca 0.32 -0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2ain s LEU 51 Cb 0.37 2.09 0.12 0.00 0.03 0.00 0.00 46.19 48.80 2ain s LEU 51 CO -0.15 -1.25 1.01 0.00 0.23 0.00 0.00 176.35 176.20 2ain s ALA 52 N -3.82 -1.96 -0.05 4.21 0.00 -1.26 -5.02 121.76 113.85 2ain s ALA 52 Ca 0.19 1.82 -0.29 0.00 0.00 0.00 0.00 51.96 53.68 2ain s ALA 52 Cb -0.02 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.73 2ain s ALA 52 CO 0.09 -0.25 1.98 0.00 0.00 0.00 0.00 175.76 177.59 2ain s ALA 53 N -0.01 3.34 0.00 0.00 0.00 -1.26 -2.90 121.76 120.93 2ain s ALA 53 Ca 0.02 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2ain s ALA 53 Cb -0.04 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2ain s ALA 53 CO -0.05 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.22 2ain n GLY 54 N 4.84 1.86 3.24 0.00 0.00 0.35 -4.96 105.19 110.51 2ain n GLY 54 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 2.30 -4.37 1.61 8.00 -1.14 -4.67 116.55 118.28 2ain n ASP 55 Ca 0.00 -2.52 -0.21 0.00 0.71 0.00 0.00 54.79 52.78 2ain n ASP 55 Cb 0.00 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 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 -3.99 1.40 -0.26 -1.24 -0.44 -1.12 -0.53 119.66 113.48 2ain s GLN 56 Ca 0.33 -1.60 0.02 0.00 -2.50 0.00 0.00 55.36 51.61 2ain s GLN 56 Cb -0.03 -1.33 0.07 0.00 -1.64 0.00 0.00 33.01 30.09 2ain s GLN 56 CO 0.21 0.24 -0.03 -0.51 0.50 0.00 0.00 175.29 175.69 2ain s LEU 57 N -3.23 3.11 -0.03 3.68 1.43 -0.86 -1.79 118.68 120.99 2ain s LEU 57 Ca 0.23 -1.43 -0.05 0.00 -1.03 0.00 0.00 54.13 51.84 2ain s LEU 57 Cb -0.03 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2ain s LEU 57 CO 0.09 -0.27 0.32 0.25 0.23 0.00 0.00 176.35 176.97 2ain h LEU 58 N 7.87 -0.16 -7.75 1.79 6.46 -1.73 -3.39 115.31 118.40 2ain h LEU 58 Ca -0.15 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.53 2ain h LEU 58 Cb 1.05 0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.88 2ain h LEU 58 CO 0.45 0.10 -0.34 -0.44 -0.62 0.00 0.00 178.44 177.58 2ain s SER 59 N -4.10 0.07 -0.09 1.25 0.01 -1.26 -4.07 113.70 105.51 2ain s SER 59 Ca -0.03 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.68 2ain s SER 59 Cb 0.00 0.34 0.02 0.00 0.21 0.00 0.00 66.02 66.59 2ain s SER 59 CO 0.08 -0.71 -0.12 -0.69 0.41 0.00 0.00 173.24 172.21 2ain s VAL 60 N -3.63 1.22 -1.44 3.43 1.01 -1.22 -2.49 120.40 117.28 2ain s VAL 60 Ca 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2ain s VAL 60 Cb 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2ain s VAL 60 CO -0.10 0.39 0.41 0.47 0.00 0.00 0.00 175.10 176.27 2ain n ASP 61 N 4.29 -5.12 -2.02 3.32 8.00 0.44 -1.51 116.55 123.95 2ain n ASP 61 Ca -0.19 -0.21 -0.14 0.00 0.71 0.00 0.00 54.79 54.97 2ain n ASP 61 Cb 0.51 -4.20 0.03 0.00 -0.02 0.00 0.00 41.12 37.44 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ain n GLY 62 N -1.26 -0.00 3.43 0.44 0.00 -1.26 -5.03 105.19 101.50 2ain n GLY 62 Ca -0.11 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.38 1.54 -0.26 1.61 0.52 -0.57 -5.10 118.95 111.30 2ain s ARG 63 Ca 0.23 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 2ain s ARG 63 Cb -0.10 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.48 2ain s ARG 63 CO 0.28 0.42 1.10 -1.12 0.02 0.00 0.00 175.30 176.01 2ain s SER 64 N -2.47 6.98 -0.16 0.23 0.01 -1.26 -3.39 113.70 113.63 2ain s SER 64 Ca 0.19 1.28 0.15 0.00 1.31 0.00 0.00 55.95 58.88 2ain s SER 64 Cb -0.09 -2.54 0.43 0.00 0.21 0.00 0.00 66.02 64.03 2ain s SER 64 CO 0.09 -0.80 1.20 0.18 0.41 0.00 0.00 173.24 174.32 2ain n LEU 65 N 6.68 2.43 -4.09 2.44 4.77 -1.26 -4.96 117.00 123.01 2ain n LEU 65 Ca 0.12 -3.45 -0.35 0.00 -0.03 0.00 0.00 56.01 52.30 2ain n LEU 65 Cb 0.46 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 2ain n LEU 65 CO 0.56 1.22 -0.22 -0.69 -1.33 0.00 0.00 177.39 176.94 2ain s VAL 66 N -2.55 3.00 0.00 4.08 1.01 -1.26 -4.57 120.40 120.11 2ain s VAL 66 Ca 0.38 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2ain s VAL 66 Cb 0.38 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2ain s VAL 66 CO -0.08 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 174.98 2ain n GLY 67 N 4.50 1.79 3.57 4.51 0.00 -1.25 -4.81 105.19 113.50 2ain n GLY 67 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 0.90 0.54 0.99 1.43 -1.26 -4.56 118.68 116.72 2ain s LEU 68 Ca 0.00 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2ain s LEU 68 Cb 0.00 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2ain s LEU 68 CO 0.00 -3.88 0.90 -0.44 0.23 0.00 0.00 176.35 173.16 2ain s SER 69 N -3.22 6.24 0.45 2.29 0.01 -1.26 -4.67 113.70 113.55 2ain s SER 69 Ca 0.68 1.15 0.21 0.00 1.31 0.00 0.00 55.95 59.30 2ain s SER 69 Cb -0.19 -2.34 1.20 0.00 0.21 0.00 0.00 66.02 64.90 2ain s SER 69 CO 0.60 -0.71 1.87 -0.61 0.41 0.00 0.00 173.24 174.80 2ain h GLN 70 N -0.02 0.27 0.49 12.44 4.15 -1.97 -1.65 115.11 128.82 2ain h GLN 70 Ca -0.46 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 2ain h GLN 70 Cb 1.20 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2ain h GLN 70 CO 0.62 0.18 -0.24 1.49 -1.93 0.00 0.00 178.83 178.95 2ain h GLU 71 N 0.28 -0.63 -0.82 1.69 4.81 -2.00 -2.48 114.58 115.42 2ain h GLU 71 Ca 0.45 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2ain h GLU 71 Cb 1.29 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.78 2ain h GLU 71 CO -0.13 -0.41 0.52 0.00 -0.73 0.00 0.00 179.01 178.26 2ain h ARG 72 N -0.67 1.09 0.21 1.92 2.47 -1.71 -1.30 114.38 116.39 2ain h ARG 72 Ca -0.07 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2ain h ARG 72 Cb 0.51 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 2ain h ARG 72 CO 0.11 0.74 -0.40 0.00 0.56 0.00 0.00 179.97 180.98 2ain h ALA 73 N 1.46 -0.97 0.60 0.04 0.00 -1.13 0.75 119.26 120.01 2ain h ALA 73 Ca 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ain h ALA 73 Cb -0.10 0.72 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2ain h ALA 73 CO -0.06 -1.03 -0.30 0.00 0.00 0.00 0.00 179.25 177.86 2ain h ALA 74 N -0.92 -1.22 -0.80 0.00 0.00 -1.36 -2.80 119.26 112.16 2ain h ALA 74 Ca -0.02 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.02 2ain h ALA 74 Cb 0.62 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 2ain h ALA 74 CO -0.15 -1.16 0.36 -1.91 0.00 0.00 0.00 179.25 176.39 2ain n GLU 75 N -4.22 -0.05 -0.06 0.00 4.07 -0.50 0.75 120.64 120.64 2ain n GLU 75 Ca -0.10 1.13 -0.12 0.00 -0.06 0.00 0.00 57.16 58.01 2ain n GLU 75 Cb 0.32 -1.98 -0.06 0.00 -0.06 0.00 0.00 31.44 29.67 2ain n GLU 75 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ain h LEU 76 N 0.00 0.30 -0.44 4.31 3.38 -0.64 -3.12 115.31 119.11 2ain h LEU 76 Ca 0.65 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 58.14 2ain h LEU 76 Cb 1.66 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2ain h LEU 76 CO -0.64 0.54 -0.78 0.24 0.09 0.00 0.00 178.44 177.89 2ain h MET 77 N 0.05 0.03 -0.30 1.13 2.86 0.58 -3.18 114.93 116.11 2ain h MET 77 Ca 0.05 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2ain h MET 77 Cb 0.39 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2ain h MET 77 CO 0.01 0.80 0.20 1.15 1.06 0.00 0.00 176.91 180.13 2ain h THR 78 N 0.02 0.99 -0.90 2.22 2.02 -0.27 -2.09 112.91 114.91 2ain h THR 78 Ca -0.01 -0.09 -0.48 0.00 0.77 0.00 0.00 66.41 66.60 2ain h THR 78 Cb 1.38 0.71 -0.19 0.00 -1.74 0.00 0.00 68.15 68.31 2ain h THR 78 CO 0.10 0.05 0.53 0.54 0.37 0.00 0.00 175.52 177.12 2ain n ARG 79 N -4.49 2.24 -1.97 6.66 1.74 -1.18 -4.97 116.66 114.68 2ain n ARG 79 Ca 0.03 -2.28 -0.30 0.00 -0.77 0.00 0.00 57.85 54.53 2ain n ARG 79 Cb 0.18 -1.96 0.02 0.00 -1.02 0.00 0.00 32.46 29.67 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 -2.90 4.48 0.00 0.55 -4.23 -0.79 -5.06 115.64 107.69 2ain s THR 80 Ca 0.48 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2ain s THR 80 Cb 0.35 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2ain s THR 80 CO -0.12 -1.00 0.00 -0.24 -0.54 0.00 0.00 174.62 172.72 2ain n SER 81 N -2.74 0.31 -0.29 3.99 2.88 -1.26 -4.99 113.62 111.51 2ain n SER 81 Ca 0.06 -0.47 0.09 0.00 -1.33 0.00 0.00 58.87 57.22 2ain n SER 81 Cb 0.55 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.26 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2ain h SER 82 N 0.00 0.40 -2.88 -3.46 4.64 -1.96 -3.39 113.55 106.89 2ain h SER 82 Ca 0.00 0.12 -0.63 0.00 -0.47 0.00 0.00 61.79 60.81 2ain h SER 82 Cb 0.00 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 2ain h SER 82 CO 0.00 0.11 -0.32 -0.69 -0.87 0.00 0.00 176.83 175.06 2ain s VAL 83 N -5.95 5.23 -0.39 0.95 1.01 -1.26 0.14 120.40 120.13 2ain s VAL 83 Ca -0.12 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2ain s VAL 83 Cb 0.23 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 33.13 2ain s VAL 83 CO 0.78 0.58 0.14 -0.69 0.00 0.00 0.00 175.10 175.91 2ain s VAL 84 N -0.97 1.93 -0.84 2.92 1.01 0.71 -4.86 120.40 120.30 2ain s VAL 84 Ca 0.20 -2.41 -0.15 0.00 0.00 0.00 0.00 61.98 59.62 2ain s VAL 84 Cb -0.15 -2.40 0.20 0.00 0.00 0.00 0.00 36.38 34.03 2ain s VAL 84 CO 0.09 -0.71 0.83 0.42 0.00 0.00 0.00 175.10 175.74 2ain s THR 85 N 0.69 5.44 -0.13 3.92 -4.23 -1.25 -2.39 115.64 117.69 2ain s THR 85 Ca 0.13 -2.28 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2ain s THR 85 Cb -0.21 -4.52 -0.01 0.00 1.34 0.00 0.00 72.50 69.10 2ain s THR 85 CO -0.08 -1.12 -0.16 -0.76 -0.54 0.00 0.00 174.62 171.96 2ain s LEU 86 N 0.67 2.53 -0.39 4.79 1.02 -0.50 -0.42 118.68 126.38 2ain s LEU 86 Ca 0.20 -0.41 -0.15 0.00 0.02 0.00 0.00 54.13 53.79 2ain s LEU 86 Cb -0.10 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.56 2ain s LEU 86 CO -0.09 0.14 0.32 -1.61 0.02 0.00 0.00 176.35 175.14 2ain s GLU 87 N 0.47 3.18 -0.02 1.70 2.02 -1.04 0.12 118.70 125.14 2ain s GLU 87 Ca -0.11 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 2ain s GLU 87 Cb -0.16 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 2ain s GLU 87 CO 0.05 -0.68 0.29 0.08 0.02 0.00 0.00 175.26 175.02 2ain s VAL 88 N 1.83 5.25 -0.39 2.63 1.01 0.19 -1.94 120.40 128.98 2ain s VAL 88 Ca 0.08 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2ain s VAL 88 Cb -0.18 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2ain s VAL 88 CO 0.11 0.47 0.22 0.00 0.00 0.00 0.00 175.10 175.90 2ain s ALA 89 N -1.19 3.27 0.17 5.51 0.00 -0.74 -2.02 121.76 126.77 2ain s ALA 89 Ca 0.24 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 2ain s ALA 89 Cb -0.14 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 2ain s ALA 89 CO 0.13 -1.46 1.27 0.15 0.00 0.00 0.00 175.76 175.85 2ain s LYS 90 N 1.52 4.42 0.62 0.00 1.02 0.08 -2.80 119.74 124.59 2ain s LYS 90 Ca 0.02 1.97 0.02 0.00 0.02 0.00 0.00 55.97 58.00 2ain s LYS 90 Cb -0.20 -3.23 0.08 0.00 -0.52 0.00 0.00 37.83 33.96 2ain s LYS 90 CO 0.05 -0.22 0.86 -0.65 -0.92 0.00 0.00 175.35 174.47 2ain s GLN 91 N 0.10 2.14 0.00 1.68 1.11 -1.26 -2.97 119.66 120.46 2ain s GLN 91 Ca 0.56 -1.09 0.24 0.00 0.01 0.00 0.00 55.36 55.09 2ain s GLN 91 Cb -0.35 -2.46 0.44 0.00 -1.01 0.00 0.00 33.01 29.63 2ain s GLN 91 CO 0.36 -1.03 1.40 0.41 0.01 0.00 0.00 175.29 176.44 2ain n GLY 92 N -2.51 0.93 0.42 3.09 0.00 -1.26 -5.00 105.19 100.85 2ain n GLY 92 Ca 0.12 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.65 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32