#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 1.82 -3.52 3.17 5.02 -1.26 -4.92 118.16 118.47 2ain n LYS 2 Ca 0.00 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.46 2ain n LYS 2 Cb 0.00 -2.77 -0.06 0.00 -0.02 0.00 0.00 35.03 32.18 2ain n LYS 2 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2ain s GLU 3 N 5.36 2.99 0.10 1.97 -6.30 -1.26 -5.08 118.70 116.49 2ain s GLU 3 Ca 1.00 -2.36 -0.02 0.00 -2.50 0.00 0.00 54.97 51.09 2ain s GLU 3 Cb -0.63 -4.07 0.02 0.00 0.00 0.00 0.00 34.13 29.45 2ain s GLU 3 CO 0.46 -1.23 0.09 -0.35 0.02 0.00 0.00 175.26 174.25 2ain n PRO 4 N 3.96 -1.10 -3.82 4.30 -0.04 -1.26 -5.05 135.00 131.99 2ain n PRO 4 Ca 0.07 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 2ain n PRO 4 Cb 0.42 -0.13 -0.15 0.00 -0.04 0.00 0.00 33.50 33.59 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 -3.21 1.00 -0.11 0.54 2.12 -1.26 -4.96 118.70 112.83 2ain s GLU 5 Ca 0.06 -1.05 -0.10 0.00 0.36 0.00 0.00 54.97 54.23 2ain s GLU 5 Cb -0.01 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 32.04 2ain s GLU 5 CO 0.04 -0.84 0.23 0.42 -0.54 0.00 0.00 175.26 174.57 2ain s ILE 6 N 1.51 5.35 -0.01 -3.70 1.01 -1.26 -1.12 121.20 122.98 2ain s ILE 6 Ca 0.05 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.99 2ain s ILE 6 Cb -0.18 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2ain s ILE 6 CO -0.16 0.55 0.23 0.27 0.00 0.00 0.00 174.94 175.84 2ain s ILE 7 N -0.62 0.07 -0.12 2.92 -4.36 -0.76 -5.00 121.20 113.33 2ain s ILE 7 Ca 0.16 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 2ain s ILE 7 Cb -0.13 -0.54 -0.02 0.00 1.25 0.00 0.00 42.46 43.02 2ain s ILE 7 CO 0.05 -0.32 -0.13 -0.89 0.24 0.00 0.00 174.94 173.90 2ain s THR 8 N -1.38 3.09 -0.32 8.37 2.01 -1.26 -1.35 115.64 124.80 2ain s THR 8 Ca -0.14 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2ain s THR 8 Cb -0.06 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2ain s THR 8 CO 0.03 0.53 0.19 0.68 -0.69 0.00 0.00 174.62 175.36 2ain s VAL 9 N 0.21 4.96 -0.53 3.82 -7.23 0.17 -4.92 120.40 116.88 2ain s VAL 9 Ca -0.08 -0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 2ain s VAL 9 Cb -0.15 -3.50 0.13 0.00 0.56 0.00 0.00 36.38 33.42 2ain s VAL 9 CO 0.05 0.07 0.42 -0.89 -0.31 0.00 0.00 175.10 174.44 2ain s THR 10 N 1.68 4.47 0.14 5.32 2.01 -1.25 -1.89 115.64 126.13 2ain s THR 10 Ca 0.06 -1.88 0.07 0.00 0.31 0.00 0.00 61.69 60.24 2ain s THR 10 Cb -0.17 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2ain s THR 10 CO 0.08 -0.82 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.27 2ain s LEU 11 N 1.19 2.42 0.33 4.42 1.43 -0.20 -4.93 118.68 123.34 2ain s LEU 11 Ca 0.07 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 2ain s LEU 11 Cb -0.25 -0.71 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 2ain s LEU 11 CO -0.01 -0.08 0.68 -0.54 0.23 0.00 0.00 176.35 176.63 2ain s LYS 12 N -2.71 3.80 -0.49 1.70 3.01 -1.26 0.71 119.74 124.50 2ain s LYS 12 Ca 0.12 0.37 -0.28 0.00 -1.01 0.00 0.00 55.97 55.18 2ain s LYS 12 Cb -0.06 -2.50 -0.01 0.00 -1.01 0.00 0.00 37.83 34.25 2ain s LYS 12 CO 0.05 0.12 1.73 0.21 0.51 0.00 0.00 175.35 177.96 2ain s LYS 13 N -3.43 3.07 -0.17 1.68 2.20 0.17 -4.82 119.74 118.43 2ain s LYS 13 Ca 0.50 0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 56.99 2ain s LYS 13 Cb -0.11 -4.25 -0.23 0.00 -1.51 0.00 0.00 37.83 31.74 2ain s LYS 13 CO 0.26 -2.19 0.15 0.94 -0.36 0.00 0.00 175.35 174.15 2ain n GLN 14 N 8.73 0.71 -2.61 4.03 7.27 -1.26 -4.78 117.38 129.47 2ain n GLN 14 Ca 0.20 0.21 -0.03 0.00 0.07 0.00 0.00 57.00 57.44 2ain n GLN 14 Cb 0.49 -1.64 0.12 0.00 2.41 0.00 0.00 30.24 31.62 2ain n GLN 14 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2ain n ASN 15 N -3.33 -1.49 -0.38 1.69 2.85 -1.26 -4.95 115.26 108.38 2ain n ASN 15 Ca -0.36 -2.20 0.04 0.00 -0.11 0.00 0.00 54.58 51.95 2ain n ASN 15 Cb 1.03 0.75 -0.02 0.00 1.24 0.00 0.00 39.78 42.78 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ain n GLY 16 N -1.20 -2.89 0.27 8.20 0.00 -1.26 -4.59 105.19 103.73 2ain n GLY 16 Ca -0.13 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.28 -0.60 -5.16 1.61 2.86 -1.98 -3.22 114.93 108.16 2ain h MET 17 Ca -0.04 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ain h MET 17 Cb 0.34 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2ain h MET 17 CO 0.02 -0.30 -0.41 0.41 1.06 0.00 0.00 176.91 177.68 2ain n GLY 18 N -0.65 -1.27 3.82 8.32 0.00 -1.26 -4.42 105.19 109.72 2ain n GLY 18 Ca -0.11 1.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.93 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 -2.69 -0.03 0.14 0.99 0.05 -1.26 0.88 118.68 116.76 2ain s LEU 19 Ca 0.21 -1.04 0.08 0.00 0.05 0.00 0.00 54.13 53.43 2ain s LEU 19 Cb -0.06 2.76 -0.04 0.00 -2.05 0.00 0.00 46.19 46.81 2ain s LEU 19 CO 0.72 -1.58 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.31 2ain s SER 20 N -3.08 2.62 0.07 1.48 0.01 0.27 -4.84 113.70 110.22 2ain s SER 20 Ca 0.15 -0.79 -0.06 0.00 1.31 0.00 0.00 55.95 56.56 2ain s SER 20 Cb -0.05 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2ain s SER 20 CO 0.10 0.00 0.12 0.27 0.41 0.00 0.00 173.24 174.14 2ain s ILE 21 N -1.70 0.16 -0.12 1.44 -5.25 -1.26 -0.95 121.20 113.51 2ain s ILE 21 Ca 0.12 -1.29 -0.13 0.00 -0.99 0.00 0.00 60.65 58.36 2ain s ILE 21 Cb -0.07 -1.27 0.03 0.00 2.95 0.00 0.00 42.46 44.10 2ain s ILE 21 CO 0.06 -0.71 0.36 0.54 -1.79 0.00 0.00 174.94 173.39 2ain s VAL 22 N -3.54 0.01 0.41 8.37 0.11 0.27 -4.70 120.40 121.33 2ain s VAL 22 Ca 0.03 -0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 2ain s VAL 22 Cb 0.04 -0.53 -0.11 0.00 -1.53 0.00 0.00 36.38 34.25 2ain s VAL 22 CO -0.09 -0.04 0.93 0.00 -3.33 0.00 0.00 175.10 172.57 2ain s ALA 23 N -0.06 3.08 -0.10 1.54 0.00 -1.26 -0.42 121.76 124.53 2ain s ALA 23 Ca -0.02 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 2ain s ALA 23 Cb -0.03 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.00 2ain s ALA 23 CO 0.01 0.15 0.25 0.00 0.00 0.00 0.00 175.76 176.17 2ain s ALA 24 N -2.11 -0.60 0.53 0.00 0.00 -1.17 -4.92 121.76 113.48 2ain s ALA 24 Ca 0.60 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2ain s ALA 24 Cb -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2ain s ALA 24 CO 0.14 -0.16 0.01 0.21 0.00 0.00 0.00 175.76 175.97 2ain s LYS 25 N 0.70 2.24 0.00 0.00 2.20 -1.26 -3.47 119.74 120.14 2ain s LYS 25 Ca -0.05 -2.45 0.00 0.00 -0.36 0.00 0.00 55.97 53.11 2ain s LYS 25 Cb -0.06 -1.53 0.00 0.00 -1.51 0.00 0.00 37.83 34.73 2ain s LYS 25 CO -0.04 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2ain n GLY 26 N -1.33 3.15 3.61 5.54 0.00 -1.26 -5.12 105.19 109.78 2ain n GLY 26 Ca -0.21 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 3.06 -1.17 4.61 0.00 -1.26 -4.59 121.76 121.41 2ain s ALA 27 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2ain s ALA 27 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2ain s ALA 27 CO 0.00 0.60 1.01 0.41 0.00 0.00 0.00 175.76 177.78 2ain n GLY 28 N 1.77 -0.36 2.73 0.00 0.00 -1.26 -5.00 105.19 103.06 2ain n GLY 28 Ca -0.16 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.82 0.65 -0.16 1.61 2.00 -1.26 -4.99 119.66 111.69 2ain s GLN 29 Ca 0.33 -0.54 0.06 0.00 -2.00 0.00 0.00 55.36 53.21 2ain s GLN 29 Cb -0.14 -2.04 0.43 0.00 0.80 0.00 0.00 33.01 32.06 2ain s GLN 29 CO 0.66 -0.72 1.26 -3.47 -0.50 0.00 0.00 175.29 172.52 2ain n ASP 30 N 5.03 3.57 -1.43 6.67 2.03 -1.26 -4.88 116.55 126.27 2ain n ASP 30 Ca -0.08 -2.60 -0.03 0.00 0.52 0.00 0.00 54.79 52.60 2ain n ASP 30 Cb 0.46 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.17 0.11 -4.12 -0.67 4.76 -1.26 -4.86 118.16 112.30 2ain n LYS 31 Ca 0.19 -0.63 -0.17 0.00 -2.87 0.00 0.00 58.31 54.84 2ain n LYS 31 Cb 0.86 0.55 -0.15 0.00 -1.84 0.00 0.00 35.03 34.46 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 1.78 0.28 -0.35 2.96 -1.26 -4.79 118.68 117.29 2ain s LEU 32 Ca 0.07 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2ain s LEU 32 Cb 0.00 -0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 2ain s LEU 32 CO 0.05 0.02 0.40 -0.83 -1.32 0.00 0.00 176.35 174.67 2ain s GLY 33 N 0.21 1.35 -0.36 7.98 0.00 -1.23 -3.25 107.32 112.03 2ain s GLY 33 Ca -0.02 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 2ain s GLY 33 CO -0.00 -1.29 0.10 -0.42 0.00 0.00 0.00 173.10 171.49 2ain s ILE 34 N -2.06 2.94 0.49 0.90 -1.09 -1.26 -3.06 121.20 118.06 2ain s ILE 34 Ca 0.38 -1.91 -0.02 0.00 -2.23 0.00 0.00 60.65 56.87 2ain s ILE 34 Cb -0.09 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2ain s ILE 34 CO 0.30 -0.48 0.74 -0.31 -1.23 0.00 0.00 174.94 173.97 2ain s TYR 35 N 1.12 3.29 -0.34 3.97 1.51 0.44 -0.67 117.35 126.67 2ain s TYR 35 Ca 0.04 0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 56.43 2ain s TYR 35 Cb -0.21 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.24 2ain s TYR 35 CO -0.04 -0.46 0.17 0.08 -1.11 0.00 0.00 175.55 174.19 2ain s VAL 36 N -2.69 4.52 0.08 0.71 1.01 0.13 -0.57 120.40 123.59 2ain s VAL 36 Ca 0.49 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2ain s VAL 36 Cb -0.10 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 2ain s VAL 36 CO 0.41 -0.07 1.36 0.11 0.00 0.00 0.00 175.10 176.91 2ain h LYS 37 N 8.37 0.63 -1.78 2.72 1.57 -1.32 0.33 116.57 127.10 2ain h LYS 37 Ca -0.29 -0.38 0.25 0.00 -1.87 0.00 0.00 60.65 58.36 2ain h LYS 37 Cb 1.12 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.35 2ain h LYS 37 CO 0.64 1.00 0.70 -1.54 -0.57 0.00 0.00 179.45 179.67 2ain s SER 38 N -6.57 -0.14 -0.12 0.86 1.04 -1.21 -4.50 113.70 103.07 2ain s SER 38 Ca -0.12 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.17 2ain s SER 38 Cb 0.08 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2ain s SER 38 CO 0.83 -0.49 -0.23 0.68 0.98 0.00 0.00 173.24 175.01 2ain s VAL 39 N -2.73 2.06 -0.14 5.02 -7.23 -1.26 0.96 120.40 117.07 2ain s VAL 39 Ca 0.12 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 2ain s VAL 39 Cb 0.02 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 2ain s VAL 39 CO -0.03 0.56 1.19 -0.69 -0.31 0.00 0.00 175.10 175.82 2ain s VAL 40 N 0.54 4.38 0.71 1.32 1.01 0.25 -4.93 120.40 123.68 2ain s VAL 40 Ca -0.14 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.36 2ain s VAL 40 Cb -0.17 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2ain s VAL 40 CO 0.04 -0.10 1.18 -0.54 0.00 0.00 0.00 175.10 175.69 2ain s LYS 41 N 3.02 2.31 0.00 2.72 -0.14 -1.26 -3.55 119.74 122.84 2ain s LYS 41 Ca 0.53 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.82 2ain s LYS 41 Cb -0.21 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 2ain s LYS 41 CO 0.15 -1.69 0.00 0.41 -0.76 0.00 0.00 175.35 173.47 2ain n GLY 42 N 0.20 3.02 2.64 -3.33 0.00 -1.26 -5.05 105.19 101.41 2ain n GLY 42 Ca 0.13 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -3.35 0.26 -0.02 0.00 -1.23 -4.89 105.19 95.97 2ain n GLY 43 Ca 0.00 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.89 2.75 -0.04 4.61 0.00 -1.22 -3.56 120.51 118.16 2ain n ALA 44 Ca -0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 2ain n ALA 44 Cb 0.47 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 2ain n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain n ALA 45 N -0.48 1.13 0.08 0.00 0.00 -1.26 -3.82 120.51 116.16 2ain n ALA 45 Ca 0.17 -0.78 -0.17 0.00 0.00 0.00 0.00 53.44 52.66 2ain n ALA 45 Cb 0.30 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 2ain n ALA 45 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2ain h ASP 46 N 0.04 0.67 -0.08 0.00 2.03 -1.83 -2.97 116.42 114.28 2ain h ASP 46 Ca -0.46 -0.58 -0.06 0.00 -0.73 0.00 0.00 57.03 55.21 2ain h ASP 46 Cb 2.01 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 40.29 2ain h ASP 46 CO 0.04 1.40 -0.10 0.58 -1.03 0.00 0.00 179.24 180.12 2ain h VAL 47 N 0.24 1.20 -0.15 4.15 2.07 -1.76 -2.94 116.25 119.05 2ain h VAL 47 Ca -0.13 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 2ain h VAL 47 Cb 1.75 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2ain h VAL 47 CO 0.20 0.28 -0.25 -0.78 0.02 0.00 0.00 177.57 177.04 2ain h ASP 48 N 0.35 0.48 0.00 0.57 3.58 -1.66 -3.48 116.42 116.27 2ain h ASP 48 Ca 0.07 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2ain h ASP 48 Cb 0.41 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2ain h ASP 48 CO 0.02 0.92 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 2ain n GLY 49 N 0.35 0.43 0.10 -0.78 0.00 -1.11 -4.97 105.19 99.20 2ain n GLY 49 Ca -0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 0.09 -5.28 1.61 2.47 -1.89 -3.48 114.38 107.90 2ain h ARG 50 Ca 0.00 -0.15 -0.52 0.00 -1.26 0.00 0.00 59.98 58.05 2ain h ARG 50 Cb 0.89 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 29.13 2ain h ARG 50 CO 0.00 0.74 -0.59 -0.48 0.56 0.00 0.00 179.97 180.20 2ain s LEU 51 N -6.42 2.29 0.00 3.04 0.05 -1.26 -5.08 118.68 111.29 2ain s LEU 51 Ca -0.10 -1.42 -0.08 0.00 0.05 0.00 0.00 54.13 52.58 2ain s LEU 51 Cb 0.08 -0.46 0.03 0.00 -2.05 0.00 0.00 46.19 43.78 2ain s LEU 51 CO 0.81 -0.62 0.44 0.00 -0.55 0.00 0.00 176.35 176.43 2ain n ALA 52 N -0.79 -0.95 -1.49 1.48 0.00 -1.26 -4.89 120.51 112.61 2ain n ALA 52 Ca -0.04 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.34 2ain n ALA 52 Cb 0.67 0.60 0.08 0.00 0.00 0.00 0.00 19.45 20.79 2ain n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain s ALA 53 N -1.68 2.37 -0.89 0.00 0.00 -1.26 -4.08 121.76 116.21 2ain s ALA 53 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 2ain s ALA 53 Cb -0.03 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2ain s ALA 53 CO 0.07 -1.58 0.76 0.41 0.00 0.00 0.00 175.76 175.43 2ain n GLY 54 N -1.85 -0.03 3.18 0.00 0.00 0.12 -4.99 105.19 101.62 2ain n GLY 54 Ca 0.07 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.19 2.05 0.44 1.61 1.11 -1.25 -4.80 116.67 112.63 2ain s ASP 55 Ca 0.38 -0.40 -0.03 0.00 0.18 0.00 0.00 52.55 52.67 2ain s ASP 55 Cb -0.17 -0.19 -0.03 0.00 1.07 0.00 0.00 42.92 43.60 2ain s ASP 55 CO 0.47 0.15 0.71 -1.58 1.18 0.00 0.00 175.17 176.10 2ain s GLN 56 N -0.80 3.49 0.17 8.23 -0.44 -1.26 0.22 119.66 129.27 2ain s GLN 56 Ca 0.06 -0.01 0.09 0.00 -2.50 0.00 0.00 55.36 53.00 2ain s GLN 56 Cb -0.07 -2.47 -0.04 0.00 -1.64 0.00 0.00 33.01 28.78 2ain s GLN 56 CO 0.01 -0.11 -0.19 -0.51 0.50 0.00 0.00 175.29 174.99 2ain s LEU 57 N -4.60 2.45 0.10 3.68 1.43 0.16 -3.17 118.68 118.72 2ain s LEU 57 Ca 0.45 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2ain s LEU 57 Cb -0.10 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2ain s LEU 57 CO 0.42 -0.02 0.00 -0.11 0.23 0.00 0.00 176.35 176.87 2ain n LEU 58 N 0.24 0.39 -3.98 1.79 0.00 -0.75 -4.18 117.00 110.52 2ain n LEU 58 Ca -0.13 0.16 -0.15 0.00 0.00 0.00 0.00 56.01 55.89 2ain n LEU 58 Cb 0.57 -0.04 -0.14 0.00 0.00 0.00 0.00 43.42 43.81 2ain n LEU 58 CO 0.30 -0.53 -0.40 -0.44 0.00 0.00 0.00 177.39 176.31 2ain s SER 59 N -5.39 0.65 -0.00 1.96 0.01 -1.26 -2.74 113.70 106.93 2ain s SER 59 Ca 0.00 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2ain s SER 59 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2ain s SER 59 CO 0.00 0.01 -0.06 -0.69 0.41 0.00 0.00 173.24 172.91 2ain s VAL 60 N -0.38 0.45 -1.64 3.43 1.01 0.11 -1.81 120.40 121.57 2ain s VAL 60 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2ain s VAL 60 Cb -0.04 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 36.05 2ain s VAL 60 CO -0.00 0.08 0.45 -0.90 0.00 0.00 0.00 175.10 174.73 2ain n ASP 61 N 2.81 -1.17 -1.87 3.32 5.75 -0.72 0.47 116.55 125.15 2ain n ASP 61 Ca -0.14 -1.14 -0.15 0.00 -0.01 0.00 0.00 54.79 53.36 2ain n ASP 61 Cb 0.58 -2.23 0.01 0.00 -1.03 0.00 0.00 41.12 38.44 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ain n GLY 62 N -1.77 -0.18 3.14 6.12 0.00 -1.26 -4.98 105.19 106.26 2ain n GLY 62 Ca -0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.01 0.79 -0.08 1.61 0.52 0.18 -5.16 118.95 111.80 2ain s ARG 63 Ca 0.10 -1.33 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 2ain s ARG 63 Cb -0.04 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 2ain s ARG 63 CO 0.12 -0.14 -0.11 -1.54 0.02 0.00 0.00 175.30 173.65 2ain s SER 64 N -3.00 4.25 -0.42 0.23 1.04 -1.26 0.06 113.70 114.59 2ain s SER 64 Ca 0.14 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.45 2ain s SER 64 Cb 0.07 -1.15 0.43 0.00 0.10 0.00 0.00 66.02 65.47 2ain s SER 64 CO -0.04 0.30 1.26 0.18 0.98 0.00 0.00 173.24 175.92 2ain n LEU 65 N 2.61 5.18 -4.18 2.42 4.77 -1.11 -4.94 117.00 121.74 2ain n LEU 65 Ca -0.18 -4.95 -0.39 0.00 -0.03 0.00 0.00 56.01 50.47 2ain n LEU 65 Cb 0.52 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2ain n LEU 65 CO 0.27 2.11 -0.10 -0.69 -1.33 0.00 0.00 177.39 177.66 2ain s VAL 66 N -5.09 3.84 0.00 4.08 1.01 -1.26 -4.51 120.40 118.47 2ain s VAL 66 Ca 0.50 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.66 2ain s VAL 66 Cb 0.41 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2ain s VAL 66 CO -0.10 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 174.91 2ain n GLY 67 N 4.79 2.58 3.78 4.51 0.00 -1.20 -4.75 105.19 114.89 2ain n GLY 67 Ca -0.06 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2ain n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ain s LEU 68 N 0.00 4.02 0.78 0.99 0.05 -1.26 -4.49 118.68 118.76 2ain s LEU 68 Ca 0.00 2.09 -0.13 0.00 0.05 0.00 0.00 54.13 56.14 2ain s LEU 68 Cb 0.00 -4.31 0.06 0.00 -2.05 0.00 0.00 46.19 39.89 2ain s LEU 68 CO 0.00 -0.71 1.16 -0.44 -0.55 0.00 0.00 176.35 175.81 2ain s SER 69 N -1.62 4.04 0.32 1.48 0.01 -1.26 -4.68 113.70 111.99 2ain s SER 69 Ca 0.62 2.17 0.06 0.00 1.31 0.00 0.00 55.95 60.12 2ain s SER 69 Cb -0.22 -2.57 0.73 0.00 0.21 0.00 0.00 66.02 64.17 2ain s SER 69 CO 0.27 -2.36 1.81 -0.61 0.41 0.00 0.00 173.24 172.77 2ain h GLN 70 N -0.80 0.76 -0.77 12.44 5.75 -1.95 0.28 115.11 130.82 2ain h GLN 70 Ca -0.46 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.14 2ain h GLN 70 Cb 1.27 -0.17 -0.09 0.00 1.07 0.00 0.00 27.48 29.55 2ain h GLN 70 CO 0.48 0.51 0.33 1.49 -2.65 0.00 0.00 178.83 178.99 2ain h GLU 71 N 0.79 0.46 -0.09 1.69 4.81 -1.99 0.44 114.58 120.69 2ain h GLU 71 Ca 0.53 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.51 2ain h GLU 71 Cb 0.79 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.08 2ain h GLU 71 CO -0.30 0.31 -0.82 0.00 -0.73 0.00 0.00 179.01 177.46 2ain h ARG 72 N 0.48 0.71 0.51 1.92 2.47 -1.37 -2.21 114.38 116.88 2ain h ARG 72 Ca 0.42 -0.64 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2ain h ARG 72 Cb 0.64 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 2ain h ARG 72 CO -0.40 1.25 -0.44 0.00 0.56 0.00 0.00 179.97 180.94 2ain h ALA 73 N 0.47 -1.01 0.50 0.04 0.00 0.55 0.81 119.26 120.63 2ain h ALA 73 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2ain h ALA 73 Cb 1.46 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2ain h ALA 73 CO 0.17 -1.10 -0.28 0.00 0.00 0.00 0.00 179.25 178.04 2ain h ALA 74 N -0.67 -1.15 -0.90 0.00 0.00 -0.31 -2.39 119.26 113.83 2ain h ALA 74 Ca -0.06 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 54.94 2ain h ALA 74 Cb 0.81 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 2ain h ALA 74 CO -0.02 -1.11 0.00 -1.91 0.00 0.00 0.00 179.25 176.20 2ain n GLU 75 N -4.08 -0.07 -0.23 0.00 0.00 -0.83 0.10 120.64 115.53 2ain n GLU 75 Ca -0.09 1.35 -0.06 0.00 0.00 0.00 0.00 57.16 58.37 2ain n GLU 75 Cb 0.29 -2.14 0.05 0.00 0.00 0.00 0.00 31.44 29.63 2ain n GLU 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2ain h LEU 76 N 0.00 0.75 -0.32 4.31 3.38 -0.65 -2.50 115.31 120.28 2ain h LEU 76 Ca 0.54 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.31 2ain h LEU 76 Cb 1.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2ain h LEU 76 CO -0.85 0.55 -0.84 0.24 0.09 0.00 0.00 178.44 177.62 2ain h MET 77 N 0.88 0.02 0.00 1.13 2.86 0.12 -3.19 114.93 116.76 2ain h MET 77 Ca 0.24 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2ain h MET 77 Cb -0.09 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2ain h MET 77 CO -0.05 0.85 -0.07 1.15 1.06 0.00 0.00 176.91 179.85 2ain h THR 78 N 0.01 0.84 -0.82 2.22 2.02 0.85 -1.81 112.91 116.22 2ain h THR 78 Ca -0.01 -0.25 -0.47 0.00 0.77 0.00 0.00 66.41 66.46 2ain h THR 78 Cb 1.49 1.14 -0.25 0.00 -1.74 0.00 0.00 68.15 68.79 2ain h THR 78 CO 0.11 0.07 0.59 0.54 0.37 0.00 0.00 175.52 177.20 2ain n ARG 79 N -4.15 2.13 -1.76 6.66 1.74 -1.03 -5.00 116.66 115.25 2ain n ARG 79 Ca -0.03 -2.54 -0.38 0.00 -0.77 0.00 0.00 57.85 54.13 2ain n ARG 79 Cb 0.15 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 29.64 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 -3.07 2.02 0.00 0.55 -4.23 -0.68 -5.03 115.64 105.20 2ain s THR 80 Ca 0.49 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2ain s THR 80 Cb 0.40 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2ain s THR 80 CO 0.06 -0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.94 2ain n SER 81 N -1.05 0.00 0.03 3.99 7.64 -1.26 -4.94 113.62 118.03 2ain n SER 81 Ca 0.10 -0.59 0.14 0.00 1.01 0.00 0.00 58.87 59.53 2ain n SER 81 Cb 0.45 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.26 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ain h SER 82 N 0.00 0.14 -3.09 6.43 0.02 -1.96 -3.41 113.55 111.68 2ain h SER 82 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2ain h SER 82 Cb 0.00 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.40 2ain h SER 82 CO 0.00 0.08 -0.57 -0.69 -1.14 0.00 0.00 176.83 174.51 2ain s VAL 83 N -5.17 4.73 -0.21 2.27 1.01 -1.26 0.42 120.40 122.19 2ain s VAL 83 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2ain s VAL 83 Cb 0.19 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.55 2ain s VAL 83 CO 0.72 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 175.53 2ain s VAL 84 N -1.01 1.95 -0.60 2.92 1.01 0.22 -4.89 120.40 120.00 2ain s VAL 84 Ca 0.16 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2ain s VAL 84 Cb -0.12 -1.96 0.15 0.00 0.00 0.00 0.00 36.38 34.46 2ain s VAL 84 CO 0.06 0.21 0.39 -0.89 0.00 0.00 0.00 175.10 174.87 2ain s THR 85 N 1.26 3.17 -0.16 3.92 2.01 -1.24 -1.04 115.64 123.55 2ain s THR 85 Ca -0.02 -3.32 -0.08 0.00 0.31 0.00 0.00 61.69 58.58 2ain s THR 85 Cb -0.17 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2ain s THR 85 CO -0.09 -0.87 0.10 -0.76 -0.69 0.00 0.00 174.62 172.31 2ain s LEU 86 N -0.40 4.08 -0.14 4.42 1.43 -0.79 -1.75 118.68 125.52 2ain s LEU 86 Ca 0.18 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2ain s LEU 86 Cb -0.21 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 2ain s LEU 86 CO -0.04 0.25 -0.15 -0.70 0.23 0.00 0.00 176.35 175.95 2ain s GLU 87 N -0.09 3.27 0.38 1.70 2.12 -0.75 0.42 118.70 125.75 2ain s GLU 87 Ca 0.09 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.73 2ain s GLU 87 Cb -0.12 -2.61 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 2ain s GLU 87 CO 0.00 0.10 0.03 0.14 -0.54 0.00 0.00 175.26 174.99 2ain s VAL 88 N 0.62 1.59 -0.06 3.70 -7.23 -0.45 -1.81 120.40 116.76 2ain s VAL 88 Ca -0.08 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 2ain s VAL 88 Cb -0.16 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2ain s VAL 88 CO 0.03 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.66 2ain s ALA 89 N -2.97 1.50 -0.82 1.32 0.00 -1.19 -1.83 121.76 117.77 2ain s ALA 89 Ca 0.34 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 2ain s ALA 89 Cb 0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2ain s ALA 89 CO 0.16 0.23 1.90 0.15 0.00 0.00 0.00 175.76 178.20 2ain s LYS 90 N 0.26 2.61 0.32 0.00 -0.14 -0.28 -4.31 119.74 118.20 2ain s LYS 90 Ca -0.09 -0.05 -0.14 0.00 -1.36 0.00 0.00 55.97 54.33 2ain s LYS 90 Cb -0.13 -4.86 0.02 0.00 -1.68 0.00 0.00 37.83 31.18 2ain s LYS 90 CO 0.03 -3.15 0.65 1.14 -0.76 0.00 0.00 175.35 173.26 2ain s GLN 91 N 6.96 1.91 0.00 1.68 1.03 -1.26 -4.27 119.66 125.71 2ain s GLN 91 Ca 0.68 -1.32 0.00 0.00 0.04 0.00 0.00 55.36 54.76 2ain s GLN 91 Cb -0.08 0.56 0.00 0.00 0.03 0.00 0.00 33.01 33.52 2ain s GLN 91 CO 0.05 -0.85 0.00 0.41 -2.54 0.00 0.00 175.29 172.36 2ain n GLY 92 N -0.48 0.65 0.00 2.60 0.00 -1.26 -4.84 105.19 101.86 2ain n GLY 92 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32