#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 3.48 -2.74 0.03 0.00 -1.26 -4.89 118.16 112.79 2ain n LYS 2 Ca 0.00 -4.62 -0.04 0.00 0.00 0.00 0.00 58.31 53.65 2ain n LYS 2 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 32.66 2ain n LYS 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2ain n GLU 3 N 1.05 -2.86 -1.28 1.64 2.13 -1.26 -5.03 120.64 115.04 2ain n GLU 3 Ca 0.28 2.40 -0.29 0.00 0.66 0.00 0.00 57.16 60.21 2ain n GLU 3 Cb 0.37 -5.40 0.23 0.00 0.27 0.00 0.00 31.44 26.92 2ain n GLU 3 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2ain n PRO 4 N 0.19 -2.55 -3.56 5.31 -0.04 -1.26 -5.01 135.00 128.07 2ain n PRO 4 Ca 0.06 -1.81 -0.41 0.00 -0.04 0.00 0.00 63.50 61.30 2ain n PRO 4 Cb 0.22 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ain s GLU 5 N -5.56 2.77 -0.16 0.54 2.12 -1.26 -5.05 118.70 112.09 2ain s GLU 5 Ca 0.71 -2.20 -0.00 0.00 0.36 0.00 0.00 54.97 53.84 2ain s GLU 5 Cb -0.05 -3.97 -0.00 0.00 0.26 0.00 0.00 34.13 30.36 2ain s GLU 5 CO 0.53 -1.21 -0.14 0.42 -0.54 0.00 0.00 175.26 174.32 2ain s ILE 6 N 0.58 2.74 -0.01 -3.70 1.01 -1.26 -1.11 121.20 119.46 2ain s ILE 6 Ca 0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2ain s ILE 6 Cb -0.20 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2ain s ILE 6 CO -0.04 0.51 -0.04 0.27 0.00 0.00 0.00 174.94 175.64 2ain s ILE 7 N 0.83 0.34 0.08 2.92 -5.25 -0.67 -4.93 121.20 114.52 2ain s ILE 7 Ca -0.05 -0.15 -0.09 0.00 -0.99 0.00 0.00 60.65 59.38 2ain s ILE 7 Cb -0.15 -0.31 -0.06 0.00 2.95 0.00 0.00 42.46 44.89 2ain s ILE 7 CO -0.00 0.11 0.39 -0.89 -1.79 0.00 0.00 174.94 172.76 2ain s THR 8 N 0.10 5.11 -0.11 8.37 2.01 -1.26 -0.95 115.64 128.91 2ain s THR 8 Ca -0.01 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.39 2ain s THR 8 Cb -0.04 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2ain s THR 8 CO -0.00 0.26 -0.17 0.68 -0.69 0.00 0.00 174.62 174.69 2ain s VAL 9 N -1.43 1.62 -0.39 3.82 -7.23 0.16 -4.93 120.40 112.01 2ain s VAL 9 Ca 0.34 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 59.63 2ain s VAL 9 Cb -0.14 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2ain s VAL 9 CO 0.19 0.47 0.38 -0.89 -0.31 0.00 0.00 175.10 174.93 2ain s THR 10 N 0.93 5.16 0.10 5.32 2.01 -1.25 -1.86 115.64 126.04 2ain s THR 10 Ca -0.07 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2ain s THR 10 Cb -0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2ain s THR 10 CO -0.01 -0.29 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.75 2ain s LEU 11 N 1.98 2.39 -0.11 4.42 1.43 -0.24 -4.93 118.68 123.62 2ain s LEU 11 Ca 0.10 -0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 52.23 2ain s LEU 11 Cb -0.17 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2ain s LEU 11 CO 0.12 -0.21 0.49 -0.54 0.23 0.00 0.00 176.35 176.44 2ain s LYS 12 N -2.62 4.33 -0.08 1.70 1.02 -1.26 -0.41 119.74 122.42 2ain s LYS 12 Ca 0.05 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.23 2ain s LYS 12 Cb -0.04 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2ain s LYS 12 CO 0.01 0.17 1.36 0.21 -0.92 0.00 0.00 175.35 176.19 2ain s LYS 13 N 0.56 4.26 -0.17 1.68 2.36 0.66 -4.90 119.74 124.18 2ain s LYS 13 Ca 0.27 1.85 0.01 0.00 -2.55 0.00 0.00 55.97 55.55 2ain s LYS 13 Cb -0.15 -3.71 -0.11 0.00 -1.05 0.00 0.00 37.83 32.80 2ain s LYS 13 CO 0.11 -0.65 -0.16 0.00 1.55 0.00 0.00 175.35 176.21 2ain n GLN 14 N 6.09 0.43 -2.68 4.03 0.00 -1.26 -4.87 117.38 119.12 2ain n GLN 14 Ca 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 57.00 57.20 2ain n GLN 14 Cb 0.44 -1.34 0.13 0.00 0.00 0.00 0.00 30.24 29.46 2ain n GLN 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2ain n ASN 15 N -3.02 -1.61 -0.02 2.61 5.15 -1.26 -5.13 115.26 111.98 2ain n ASN 15 Ca -0.31 -2.30 0.00 0.00 -0.60 0.00 0.00 54.58 51.38 2ain n ASN 15 Cb 0.83 0.80 0.00 0.00 -0.53 0.00 0.00 39.78 40.88 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ain n GLY 16 N -1.23 -1.77 2.78 8.20 0.00 -1.26 -4.72 105.19 107.20 2ain n GLY 16 Ca -0.13 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2ain n GLY 16 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ain s MET 17 N 0.00 1.43 -0.97 1.61 -1.94 -1.26 -2.81 119.30 115.37 2ain s MET 17 Ca 0.00 -2.11 -0.26 0.00 -1.71 0.00 0.00 55.69 51.61 2ain s MET 17 Cb 0.00 -2.59 -0.19 0.00 2.01 0.00 0.00 34.83 34.07 2ain s MET 17 CO 0.00 -1.13 2.23 0.20 -0.01 0.00 0.00 175.02 176.30 2ain s GLY 18 N 0.27 -0.97 0.36 -0.03 0.00 -1.26 -4.78 107.32 100.91 2ain s GLY 18 Ca 0.17 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.50 2ain s GLY 18 CO -0.01 4.25 0.81 0.48 0.00 0.00 0.00 173.10 178.63 2ain s LEU 19 N 15.98 -0.00 0.10 0.66 0.05 -1.26 0.14 118.68 134.34 2ain s LEU 19 Ca 0.85 -1.09 0.04 0.00 0.05 0.00 0.00 54.13 53.99 2ain s LEU 19 Cb -0.08 2.77 -0.03 0.00 -2.05 0.00 0.00 46.19 46.80 2ain s LEU 19 CO 0.14 -1.61 -0.12 -0.94 -0.55 0.00 0.00 176.35 173.27 2ain s SER 20 N -3.10 1.60 0.12 1.48 1.04 0.99 -4.89 113.70 110.93 2ain s SER 20 Ca 0.16 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2ain s SER 20 Cb -0.05 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 2ain s SER 20 CO 0.11 -0.20 -0.10 0.27 0.98 0.00 0.00 173.24 174.30 2ain s ILE 21 N -2.09 1.00 -0.01 -1.02 -5.25 -1.26 -2.01 121.20 110.56 2ain s ILE 21 Ca 0.04 -1.84 0.02 0.00 -0.99 0.00 0.00 60.65 57.88 2ain s ILE 21 Cb -0.05 -1.59 0.00 0.00 2.95 0.00 0.00 42.46 43.77 2ain s ILE 21 CO 0.01 -0.67 -0.05 -0.69 -1.79 0.00 0.00 174.94 171.75 2ain s VAL 22 N -2.92 0.44 0.51 8.37 1.01 0.15 -4.86 120.40 123.10 2ain s VAL 22 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2ain s VAL 22 Cb 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2ain s VAL 22 CO -0.00 0.14 0.89 0.00 0.00 0.00 0.00 175.10 176.12 2ain s ALA 23 N 0.05 3.24 -0.16 5.51 0.00 -1.26 -0.36 121.76 128.79 2ain s ALA 23 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 2ain s ALA 23 Cb -0.04 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2ain s ALA 23 CO -0.00 -0.37 0.49 0.00 0.00 0.00 0.00 175.76 175.88 2ain s ALA 24 N -2.78 -1.23 0.42 0.00 0.00 -0.92 -4.92 121.76 112.33 2ain s ALA 24 Ca 0.52 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.80 2ain s ALA 24 Cb -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2ain s ALA 24 CO 0.43 -0.25 0.16 0.15 0.00 0.00 0.00 175.76 176.25 2ain s LYS 25 N -0.04 1.98 0.00 0.00 1.02 -1.26 -3.21 119.74 118.23 2ain s LYS 25 Ca -0.02 -2.22 0.00 0.00 0.02 0.00 0.00 55.97 53.75 2ain s LYS 25 Cb -0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 2ain s LYS 25 CO 0.02 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 2ain n GLY 26 N -0.93 2.50 3.70 -3.33 0.00 -1.26 -5.12 105.19 100.73 2ain n GLY 26 Ca -0.05 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.32 -1.45 4.61 0.00 -1.26 -4.47 121.76 121.52 2ain s ALA 27 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2ain s ALA 27 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2ain s ALA 27 CO 0.00 0.63 0.72 0.41 0.00 0.00 0.00 175.76 177.51 2ain n GLY 28 N 1.70 -0.47 2.98 0.00 0.00 -1.26 -4.97 105.19 103.16 2ain n GLY 28 Ca -0.16 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.79 1.44 -0.11 1.61 0.74 -1.26 -4.95 119.66 111.32 2ain s GLN 29 Ca 0.35 -1.69 0.08 0.00 0.05 0.00 0.00 55.36 54.15 2ain s GLN 29 Cb -0.16 -2.99 0.42 0.00 1.10 0.00 0.00 33.01 31.39 2ain s GLN 29 CO 0.44 -0.91 1.16 -3.47 -0.55 0.00 0.00 175.29 171.96 2ain n ASP 30 N 4.36 3.36 -1.39 6.67 2.03 -1.26 -4.85 116.55 125.47 2ain n ASP 30 Ca 0.01 -2.45 -0.03 0.00 0.52 0.00 0.00 54.79 52.84 2ain n ASP 30 Cb 0.42 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.34 0.13 -4.12 -0.67 4.01 -1.26 -4.85 118.16 111.75 2ain n LYS 31 Ca 0.14 -0.52 -0.15 0.00 -0.51 0.00 0.00 58.31 57.28 2ain n LYS 31 Cb 0.71 0.41 -0.13 0.00 -0.51 0.00 0.00 35.03 35.51 2ain n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ain s LEU 32 N 0.00 2.10 -0.24 -0.35 2.01 -1.26 -4.88 118.68 116.05 2ain s LEU 32 Ca 0.06 -0.25 -0.04 0.00 0.01 0.00 0.00 54.13 53.90 2ain s LEU 32 Cb 0.00 -0.22 0.00 0.00 0.01 0.00 0.00 46.19 45.98 2ain s LEU 32 CO 0.04 -0.03 -0.01 -0.83 1.01 0.00 0.00 176.35 176.53 2ain s GLY 33 N -0.64 1.66 -0.96 -3.19 0.00 -1.20 -4.14 107.32 98.87 2ain s GLY 33 Ca -0.02 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.26 2ain s GLY 33 CO 0.00 0.50 1.07 -0.42 0.00 0.00 0.00 173.10 174.25 2ain s ILE 34 N 1.46 5.14 0.85 0.90 1.09 -1.26 -2.15 121.20 127.23 2ain s ILE 34 Ca 0.04 -2.16 -0.13 0.00 -1.10 0.00 0.00 60.65 57.31 2ain s ILE 34 Cb -0.15 -4.70 0.12 0.00 -1.06 0.00 0.00 42.46 36.67 2ain s ILE 34 CO -0.02 -1.36 1.21 -0.31 -0.10 0.00 0.00 174.94 174.36 2ain s TYR 35 N 1.45 2.52 0.04 3.97 1.51 0.51 -3.36 117.35 123.98 2ain s TYR 35 Ca 0.30 0.58 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2ain s TYR 35 Cb -0.06 -3.66 -0.04 0.00 -0.11 0.00 0.00 41.96 38.09 2ain s TYR 35 CO -0.08 -2.01 0.12 0.08 -1.11 0.00 0.00 175.55 172.55 2ain s VAL 36 N -3.64 4.87 0.00 0.71 1.01 0.68 0.32 120.40 124.36 2ain s VAL 36 Ca 0.66 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2ain s VAL 36 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2ain s VAL 36 CO 0.50 0.22 0.00 2.29 0.00 0.00 0.00 175.10 178.11 2ain n LYS 37 N 0.70 0.94 -3.69 2.72 2.85 -0.85 0.03 118.16 120.86 2ain n LYS 37 Ca -0.09 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 2ain n LYS 37 Cb 0.52 -0.93 -0.10 0.00 -0.65 0.00 0.00 35.03 33.87 2ain n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2ain s SER 38 N -3.53 -0.60 -0.39 -5.58 0.01 -1.24 -4.58 113.70 97.80 2ain s SER 38 Ca 0.00 1.01 -0.07 0.00 1.31 0.00 0.00 55.95 58.20 2ain s SER 38 Cb 0.00 0.90 0.07 0.00 0.21 0.00 0.00 66.02 67.20 2ain s SER 38 CO 0.00 -0.20 0.19 -0.69 0.41 0.00 0.00 173.24 172.95 2ain s VAL 39 N 1.34 3.97 0.23 3.43 1.01 -1.26 -0.01 120.40 129.11 2ain s VAL 39 Ca -0.09 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 2ain s VAL 39 Cb -0.07 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2ain s VAL 39 CO -0.13 -0.39 1.34 -0.69 0.00 0.00 0.00 175.10 175.23 2ain s VAL 40 N 1.39 3.02 0.48 2.92 1.01 0.36 -4.94 120.40 124.64 2ain s VAL 40 Ca 0.02 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 2ain s VAL 40 Cb -0.22 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2ain s VAL 40 CO 0.02 0.14 1.15 -0.75 0.00 0.00 0.00 175.10 175.66 2ain s LYS 41 N -0.40 3.66 0.00 2.72 2.36 -1.26 -3.44 119.74 123.38 2ain s LYS 41 Ca 0.56 1.70 0.00 0.00 -2.55 0.00 0.00 55.97 55.68 2ain s LYS 41 Cb -0.38 -2.28 0.00 0.00 -1.05 0.00 0.00 37.83 34.12 2ain s LYS 41 CO 0.41 -0.62 0.00 0.41 1.55 0.00 0.00 175.35 177.10 2ain n GLY 42 N 0.33 1.78 0.00 5.54 0.00 -1.26 -5.01 105.19 106.58 2ain n GLY 42 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.06 0.13 -0.02 0.00 -1.22 -4.89 105.19 96.13 2ain n GLY 43 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 0.99 0.07 4.61 0.00 -1.12 -3.81 120.51 118.25 2ain n ALA 44 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.69 2ain n ALA 44 Cb 0.00 -0.52 0.13 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.07 0.86 -0.25 0.00 0.00 -1.93 -3.00 119.26 114.87 2ain h ALA 45 Ca -0.46 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 53.76 2ain h ALA 45 Cb 1.89 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2ain h ALA 45 CO -0.01 0.70 -0.55 0.22 0.00 0.00 0.00 179.25 179.60 2ain h ASP 46 N 0.23 0.84 0.29 0.00 1.82 -1.83 -1.65 116.42 116.12 2ain h ASP 46 Ca 0.00 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 56.18 2ain h ASP 46 Cb 1.05 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2ain h ASP 46 CO 0.09 1.22 -0.14 0.58 -1.61 0.00 0.00 179.24 179.38 2ain h VAL 47 N 0.57 0.73 0.05 2.25 2.07 -1.65 -3.30 116.25 116.97 2ain h VAL 47 Ca 0.01 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ain h VAL 47 Cb 1.14 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2ain h VAL 47 CO 0.12 0.11 -0.02 0.44 0.02 0.00 0.00 177.57 178.23 2ain h ASP 48 N -0.71 -0.06 -1.54 0.57 3.32 -1.62 -3.49 116.42 112.89 2ain h ASP 48 Ca -0.04 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2ain h ASP 48 Cb 0.48 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2ain h ASP 48 CO 0.07 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 2ain n GLY 49 N -0.62 0.35 1.90 2.75 0.00 -0.62 -5.05 105.19 103.89 2ain n GLY 49 Ca -0.08 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.56 0.60 -3.99 1.61 5.12 -1.24 -5.10 116.66 113.11 2ain n ARG 50 Ca 0.00 -2.18 -0.11 0.00 -1.93 0.00 0.00 57.85 53.62 2ain n ARG 50 Cb 0.26 -0.32 -0.03 0.00 -1.16 0.00 0.00 32.46 31.21 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 -1.43 0.53 -0.24 0.55 1.43 -1.26 -4.99 118.68 113.26 2ain s LEU 51 Ca 0.24 -1.23 -0.26 0.00 -1.03 0.00 0.00 54.13 51.85 2ain s LEU 51 Cb 0.31 1.94 0.11 0.00 0.03 0.00 0.00 46.19 48.59 2ain s LEU 51 CO -0.10 -1.36 0.95 0.00 0.23 0.00 0.00 176.35 176.07 2ain s ALA 52 N -3.14 -1.92 0.07 4.21 0.00 -1.26 -5.07 121.76 114.65 2ain s ALA 52 Ca 0.24 1.81 -0.31 0.00 0.00 0.00 0.00 51.96 53.70 2ain s ALA 52 Cb -0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 2ain s ALA 52 CO 0.15 -0.28 1.75 0.00 0.00 0.00 0.00 175.76 177.38 2ain s ALA 53 N -0.10 3.69 0.00 0.00 0.00 -1.26 -3.00 121.76 121.09 2ain s ALA 53 Ca 0.01 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2ain s ALA 53 Cb -0.04 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2ain s ALA 53 CO -0.02 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2ain n GLY 54 N 4.16 1.94 3.57 0.00 0.00 0.10 -4.91 105.19 110.06 2ain n GLY 54 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 4.16 0.21 1.61 1.11 -1.16 -4.67 116.67 115.93 2ain s ASP 55 Ca 0.00 -0.79 -0.01 0.00 0.18 0.00 0.00 52.55 51.93 2ain s ASP 55 Cb 0.00 -0.63 -0.04 0.00 1.07 0.00 0.00 42.92 43.32 2ain s ASP 55 CO 0.00 0.02 0.41 -1.58 1.18 0.00 0.00 175.17 175.20 2ain s GLN 56 N -3.58 3.53 -0.33 8.23 0.74 -1.24 -0.23 119.66 126.78 2ain s GLN 56 Ca 0.31 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.41 2ain s GLN 56 Cb -0.06 -2.82 0.10 0.00 1.10 0.00 0.00 33.01 31.33 2ain s GLN 56 CO 0.18 0.38 0.07 -0.51 -0.55 0.00 0.00 175.29 174.86 2ain s LEU 57 N -3.38 3.67 -0.02 3.68 1.02 -1.21 -2.65 118.68 119.78 2ain s LEU 57 Ca 0.39 -1.92 -0.20 0.00 0.02 0.00 0.00 54.13 52.42 2ain s LEU 57 Cb -0.11 -1.30 -0.11 0.00 0.02 0.00 0.00 46.19 44.69 2ain s LEU 57 CO 0.29 -0.39 0.84 -0.07 0.02 0.00 0.00 176.35 177.04 2ain h LEU 58 N 7.82 -0.60 -8.24 1.79 -0.00 -1.87 -3.39 115.31 110.82 2ain h LEU 58 Ca -0.08 0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 57.67 2ain h LEU 58 Cb 1.02 0.15 -0.16 0.00 -0.00 0.00 0.00 40.66 41.68 2ain h LEU 58 CO 0.50 -0.18 -0.68 -0.44 -0.00 0.00 0.00 178.44 177.63 2ain s SER 59 N -4.75 0.55 -0.07 -0.43 0.01 -1.26 -3.86 113.70 103.88 2ain s SER 59 Ca -0.11 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2ain s SER 59 Cb 0.01 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2ain s SER 59 CO 0.33 -0.55 -0.05 -0.69 0.41 0.00 0.00 173.24 172.68 2ain s VAL 60 N -3.65 0.68 -1.47 3.43 1.01 -1.26 -1.86 120.40 117.27 2ain s VAL 60 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2ain s VAL 60 Cb 0.06 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2ain s VAL 60 CO -0.08 0.28 0.15 -0.67 0.00 0.00 0.00 175.10 174.78 2ain n ASP 61 N 4.55 -5.14 -3.20 3.32 2.03 0.59 -1.54 116.55 117.17 2ain n ASP 61 Ca -0.16 -0.03 -0.23 0.00 0.52 0.00 0.00 54.79 54.89 2ain n ASP 61 Cb 0.50 -4.27 0.02 0.00 -0.72 0.00 0.00 41.12 36.65 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ain n GLY 62 N -1.05 -0.51 1.45 0.27 0.00 -1.25 -4.85 105.19 99.24 2ain n GLY 62 Ca -0.17 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2ain n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ain n ARG 63 N -3.92 3.52 -2.98 1.61 1.74 -0.59 -5.02 116.66 111.03 2ain n ARG 63 Ca -0.06 -2.80 -0.05 0.00 -0.77 0.00 0.00 57.85 54.17 2ain n ARG 63 Cb 0.58 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2ain n ARG 63 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ain n SER 64 N 1.03 -7.25 -3.31 0.55 7.64 -1.26 -4.93 113.62 106.09 2ain n SER 64 Ca 0.24 0.81 -0.33 0.00 1.01 0.00 0.00 58.87 60.60 2ain n SER 64 Cb 0.83 -3.62 -0.02 0.00 -1.01 0.00 0.00 64.21 60.39 2ain n SER 64 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ain n LEU 65 N 0.72 5.52 -3.76 -3.43 4.77 -1.25 -4.94 117.00 114.63 2ain n LEU 65 Ca 0.00 -5.53 -0.30 0.00 -0.03 0.00 0.00 56.01 50.16 2ain n LEU 65 Cb 0.30 -0.83 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 2ain n LEU 65 CO 0.30 2.17 -0.32 -0.69 -1.33 0.00 0.00 177.39 177.52 2ain s VAL 66 N -4.09 1.12 0.00 4.08 1.01 -1.26 -4.57 120.40 116.70 2ain s VAL 66 Ca 0.43 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2ain s VAL 66 Cb 0.22 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2ain s VAL 66 CO -0.10 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 174.91 2ain n GLY 67 N 4.59 1.24 3.53 4.51 0.00 -1.26 -4.86 105.19 112.93 2ain n GLY 67 Ca 0.00 0.00 -0.29 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 0.49 0.50 0.99 1.43 -1.26 -4.35 118.68 116.48 2ain s LEU 68 Ca 0.00 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2ain s LEU 68 Cb 0.00 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2ain s LEU 68 CO 0.00 -4.22 0.79 -0.44 0.23 0.00 0.00 176.35 172.71 2ain s SER 69 N -3.38 5.93 0.55 2.29 0.01 -1.26 -4.41 113.70 113.43 2ain s SER 69 Ca 0.69 0.67 0.29 0.00 1.31 0.00 0.00 55.95 58.91 2ain s SER 69 Cb -0.15 -1.88 1.46 0.00 0.21 0.00 0.00 66.02 65.66 2ain s SER 69 CO 0.58 -0.76 1.93 -0.61 0.41 0.00 0.00 173.24 174.79 2ain h GLN 70 N 0.15 0.00 0.05 12.44 4.15 -1.97 -0.54 115.11 129.40 2ain h GLN 70 Ca -0.46 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 2ain h GLN 70 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2ain h GLN 70 CO 0.60 0.00 -0.03 0.93 -1.93 0.00 0.00 178.83 178.41 2ain h GLU 71 N 0.00 -0.07 -0.63 1.69 5.08 -1.99 -2.58 114.58 116.07 2ain h GLU 71 Ca 0.30 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 2ain h GLU 71 Cb 1.30 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2ain h GLU 71 CO -0.00 0.44 0.42 0.00 -1.00 0.00 0.00 179.01 178.87 2ain h ARG 72 N -0.96 0.53 0.45 2.33 -0.00 -1.78 0.16 114.38 115.11 2ain h ARG 72 Ca -0.01 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.42 2ain h ARG 72 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2ain h ARG 72 CO 0.01 0.35 -0.21 0.00 0.00 0.00 0.00 179.97 180.12 2ain h ALA 73 N 1.67 -0.60 -0.31 0.04 0.00 -1.22 -2.17 119.26 116.67 2ain h ALA 73 Ca 0.28 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2ain h ALA 73 Cb 0.41 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2ain h ALA 73 CO -0.09 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 178.67 2ain h ALA 74 N -1.11 0.33 -0.60 0.00 0.00 -1.30 0.10 119.26 116.69 2ain h ALA 74 Ca -0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2ain h ALA 74 Cb 0.48 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2ain h ALA 74 CO 0.10 -0.33 0.33 1.49 0.00 0.00 0.00 179.25 180.83 2ain h GLU 75 N 0.19 0.60 -0.39 0.00 4.57 -0.79 -1.00 114.58 117.75 2ain h GLU 75 Ca 0.14 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2ain h GLU 75 Cb 0.15 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2ain h GLU 75 CO -0.18 0.40 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.75 2ain h LEU 76 N 0.62 0.79 0.60 1.64 3.38 -0.90 -1.74 115.31 119.70 2ain h LEU 76 Ca 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ain h LEU 76 Cb 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ain h LEU 76 CO -0.17 1.00 -0.29 0.24 0.09 0.00 0.00 178.44 179.31 2ain h MET 77 N 0.68 -0.78 -0.76 1.13 2.86 -0.13 -3.03 114.93 114.89 2ain h MET 77 Ca 0.09 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2ain h MET 77 Cb 0.74 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 2ain h MET 77 CO 0.06 -0.48 0.44 0.00 1.06 0.00 0.00 176.91 177.98 2ain h THR 78 N -0.90 1.22 -0.57 2.22 1.03 -1.25 -2.98 112.91 111.67 2ain h THR 78 Ca -0.08 -0.52 -0.46 0.00 -0.01 0.00 0.00 66.41 65.34 2ain h THR 78 Cb 0.65 0.17 -0.10 0.00 -1.07 0.00 0.00 68.15 67.80 2ain h THR 78 CO 0.14 0.24 0.96 0.54 -0.01 0.00 0.00 175.52 177.38 2ain n ARG 79 N -4.37 2.82 -2.96 0.00 1.74 -0.66 -4.92 116.66 108.32 2ain n ARG 79 Ca 0.08 -2.06 -0.21 0.00 -0.77 0.00 0.00 57.85 54.90 2ain n ARG 79 Cb 0.08 -2.27 0.08 0.00 -1.02 0.00 0.00 32.46 29.33 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 -0.35 2.05 0.00 0.55 -4.23 -1.13 -4.87 115.64 107.66 2ain s THR 80 Ca 0.62 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2ain s THR 80 Cb 0.30 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 72.02 2ain s THR 80 CO -0.10 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.74 2ain n SER 81 N -2.40 0.00 -0.13 3.99 2.88 -1.26 -5.00 113.62 111.70 2ain n SER 81 Ca 0.17 -0.56 -0.05 0.00 -1.33 0.00 0.00 58.87 57.10 2ain n SER 81 Cb 0.62 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ain h SER 82 N 0.00 0.10 -3.34 -3.46 0.02 -1.95 -3.41 113.55 101.50 2ain h SER 82 Ca 0.00 0.06 -0.55 0.00 -0.84 0.00 0.00 61.79 60.45 2ain h SER 82 Cb 0.00 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2ain h SER 82 CO 0.00 0.09 -0.04 -0.69 -1.14 0.00 0.00 176.83 175.05 2ain s VAL 83 N -6.15 4.78 -0.17 2.27 1.01 -1.26 -0.25 120.40 120.63 2ain s VAL 83 Ca -0.13 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 2ain s VAL 83 Cb 0.13 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.78 2ain s VAL 83 CO 0.72 0.31 0.05 -0.69 0.00 0.00 0.00 175.10 175.49 2ain s VAL 84 N -1.39 0.28 -0.89 2.92 1.01 0.45 -4.90 120.40 117.89 2ain s VAL 84 Ca 0.37 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 2ain s VAL 84 Cb -0.16 -0.81 0.22 0.00 0.00 0.00 0.00 36.38 35.63 2ain s VAL 84 CO 0.19 -0.19 0.80 -0.89 0.00 0.00 0.00 175.10 175.01 2ain s THR 85 N 1.97 4.86 -0.04 3.92 2.01 -1.25 -1.08 115.64 126.03 2ain s THR 85 Ca 0.01 -3.37 -0.15 0.00 0.31 0.00 0.00 61.69 58.49 2ain s THR 85 Cb -0.16 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2ain s THR 85 CO -0.08 -1.06 0.40 -0.76 -0.69 0.00 0.00 174.62 172.42 2ain s LEU 86 N -0.85 4.42 -0.10 4.42 1.43 -0.78 -0.30 118.68 126.93 2ain s LEU 86 Ca 0.25 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 2ain s LEU 86 Cb -0.11 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2ain s LEU 86 CO -0.09 0.26 0.08 -1.61 0.23 0.00 0.00 176.35 175.22 2ain s GLU 87 N -0.66 3.23 -0.02 1.70 2.02 -0.78 0.36 118.70 124.55 2ain s GLU 87 Ca 0.23 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.99 2ain s GLU 87 Cb -0.16 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 2ain s GLU 87 CO 0.12 0.74 -0.14 0.54 0.02 0.00 0.00 175.26 176.53 2ain s VAL 88 N -0.98 1.15 -0.27 2.63 0.11 -0.13 -3.48 120.40 119.44 2ain s VAL 88 Ca 0.15 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.54 2ain s VAL 88 Cb -0.12 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2ain s VAL 88 CO 0.04 0.33 0.04 0.00 -3.33 0.00 0.00 175.10 172.18 2ain s ALA 89 N -0.16 2.99 0.03 1.54 0.00 -1.09 -1.67 121.76 123.40 2ain s ALA 89 Ca 0.02 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 2ain s ALA 89 Cb -0.08 -2.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 2ain s ALA 89 CO 0.00 -0.75 1.91 0.15 0.00 0.00 0.00 175.76 177.07 2ain s LYS 90 N 1.49 4.15 0.14 0.00 3.01 -0.27 -3.69 119.74 124.56 2ain s LYS 90 Ca 0.03 2.55 0.01 0.00 -1.01 0.00 0.00 55.97 57.55 2ain s LYS 90 Cb -0.16 -4.10 0.01 0.00 -1.01 0.00 0.00 37.83 32.57 2ain s LYS 90 CO 0.01 -0.93 0.09 1.04 0.51 0.00 0.00 175.35 176.07 2ain n GLN 91 N 7.35 1.34 -0.02 1.68 3.00 -1.26 -4.64 117.38 124.83 2ain n GLN 91 Ca 0.19 -0.86 0.11 0.00 -0.01 0.00 0.00 57.00 56.43 2ain n GLN 91 Cb 0.41 0.11 0.58 0.00 0.00 0.00 0.00 30.24 31.34 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ain n GLY 92 N 3.37 -0.60 0.00 1.08 0.00 -1.26 -5.13 105.19 102.66 2ain n GLY 92 Ca -0.01 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32