#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 -2.20 -3.92 2.12 4.81 -1.26 -5.02 118.16 112.70 2ain n LYS 2 Ca 0.00 1.98 -0.30 0.00 -0.87 0.00 0.00 58.31 59.13 2ain n LYS 2 Cb 0.00 -4.87 -0.14 0.00 0.02 0.00 0.00 35.03 30.04 2ain n LYS 2 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2ain s GLU 3 N -2.08 1.93 0.21 1.64 -6.30 -1.26 -5.11 118.70 107.73 2ain s GLU 3 Ca 0.15 -2.60 -0.04 0.00 -2.50 0.00 0.00 54.97 49.99 2ain s GLU 3 Cb -0.04 -3.20 0.05 0.00 0.00 0.00 0.00 34.13 30.94 2ain s GLU 3 CO 0.64 -1.13 0.14 -2.30 0.02 0.00 0.00 175.26 172.63 2ain n PRO 4 N 3.07 -2.16 -3.74 4.30 -0.02 -1.26 -4.99 135.00 130.21 2ain n PRO 4 Ca 0.07 -0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2ain n PRO 4 Cb 0.33 -0.27 -0.10 0.00 -0.02 0.00 0.00 33.50 33.43 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2ain s GLU 5 N -3.33 2.44 -0.14 -0.52 2.12 -1.26 -5.04 118.70 112.98 2ain s GLU 5 Ca 0.10 -2.40 -0.14 0.00 0.36 0.00 0.00 54.97 52.89 2ain s GLU 5 Cb -0.02 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 2ain s GLU 5 CO 0.08 -1.15 0.32 0.42 -0.54 0.00 0.00 175.26 174.39 2ain s ILE 6 N 0.15 5.28 -0.06 -3.70 -1.09 -1.26 -1.72 121.20 118.79 2ain s ILE 6 Ca 0.15 0.61 -0.11 0.00 -2.23 0.00 0.00 60.65 59.06 2ain s ILE 6 Cb -0.21 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 2ain s ILE 6 CO -0.03 0.41 0.28 0.27 -1.23 0.00 0.00 174.94 174.63 2ain s ILE 7 N 0.29 0.03 -0.16 2.92 -5.25 -0.73 -4.99 121.20 113.31 2ain s ILE 7 Ca 0.18 -0.26 -0.01 0.00 -0.99 0.00 0.00 60.65 59.57 2ain s ILE 7 Cb -0.13 -0.49 -0.01 0.00 2.95 0.00 0.00 42.46 44.78 2ain s ILE 7 CO 0.05 -0.14 -0.11 -0.89 -1.79 0.00 0.00 174.94 172.06 2ain s THR 8 N -0.58 3.11 -0.36 8.37 2.01 -1.26 -0.55 115.64 126.38 2ain s THR 8 Ca -0.07 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 2ain s THR 8 Cb -0.04 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 2ain s THR 8 CO 0.02 0.50 0.28 0.68 -0.69 0.00 0.00 174.62 175.41 2ain s VAL 9 N 0.70 5.25 -0.77 3.82 -7.23 -0.14 -4.88 120.40 117.15 2ain s VAL 9 Ca -0.05 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.68 2ain s VAL 9 Cb -0.15 -3.80 0.20 0.00 0.56 0.00 0.00 36.38 33.19 2ain s VAL 9 CO 0.02 -0.12 0.72 -0.89 -0.31 0.00 0.00 175.10 174.52 2ain s THR 10 N 1.78 5.52 0.46 5.32 2.01 -1.25 -2.43 115.64 127.05 2ain s THR 10 Ca 0.07 -2.25 0.05 0.00 0.31 0.00 0.00 61.69 59.87 2ain s THR 10 Cb -0.18 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 67.86 2ain s THR 10 CO 0.11 -1.00 0.14 -0.76 -0.69 0.00 0.00 174.62 172.41 2ain s LEU 11 N 0.50 2.77 0.28 4.42 1.43 -0.70 -4.89 118.68 122.49 2ain s LEU 11 Ca 0.15 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 51.99 2ain s LEU 11 Cb -0.14 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2ain s LEU 11 CO -0.06 -0.71 0.35 -0.54 0.23 0.00 0.00 176.35 175.61 2ain s LYS 12 N -3.93 3.13 -0.37 1.70 3.01 -1.26 -0.83 119.74 121.20 2ain s LYS 12 Ca 0.29 -0.97 -0.17 0.00 -1.01 0.00 0.00 55.97 54.10 2ain s LYS 12 Cb 0.03 -2.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.11 2ain s LYS 12 CO 0.16 0.27 0.47 0.21 0.51 0.00 0.00 175.35 176.97 2ain s LYS 13 N -4.01 3.48 -0.24 1.68 2.36 -0.14 -4.79 119.74 118.09 2ain s LYS 13 Ca 0.38 -0.36 -0.00 0.00 -2.55 0.00 0.00 55.97 53.44 2ain s LYS 13 Cb -0.08 -3.85 -0.15 0.00 -1.05 0.00 0.00 37.83 32.70 2ain s LYS 13 CO 0.28 -0.67 -0.23 1.04 1.55 0.00 0.00 175.35 177.32 2ain n GLN 14 N 5.65 0.58 -2.57 4.03 3.00 -1.26 -4.85 117.38 121.96 2ain n GLN 14 Ca -0.06 0.15 -0.04 0.00 -0.01 0.00 0.00 57.00 57.04 2ain n GLN 14 Cb 0.49 -1.46 0.10 0.00 0.00 0.00 0.00 30.24 29.36 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 -3.33 -1.46 0.00 1.08 2.85 -1.26 -5.14 115.26 108.00 2ain n ASN 15 Ca -0.43 -2.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.91 2ain n ASN 15 Cb 0.93 0.78 0.00 0.00 1.24 0.00 0.00 39.78 42.73 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 -0.94 -0.48 0.09 8.20 0.00 -1.26 -4.78 105.19 106.01 2ain n GLY 16 Ca -0.12 -1.56 -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 0.19 -3.35 1.61 2.86 -1.95 -3.30 114.93 110.98 2ain h MET 17 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2ain h MET 17 Cb 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2ain h MET 17 CO 0.00 0.19 -0.01 0.41 1.06 0.00 0.00 176.91 178.57 2ain n GLY 18 N -0.95 -0.39 3.82 8.32 0.00 -1.26 -3.36 105.19 111.37 2ain n GLY 18 Ca -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.34 -0.03 -0.02 0.99 0.05 -1.26 0.92 118.68 116.99 2ain s LEU 19 Ca 0.00 -1.03 0.00 0.00 0.05 0.00 0.00 54.13 53.16 2ain s LEU 19 Cb -0.00 2.77 0.02 0.00 -2.05 0.00 0.00 46.19 46.92 2ain s LEU 19 CO 0.11 -1.58 -0.01 -0.44 -0.55 0.00 0.00 176.35 173.88 2ain s SER 20 N -3.07 0.31 0.35 1.48 0.01 0.22 -4.75 113.70 108.24 2ain s SER 20 Ca 0.15 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.47 2ain s SER 20 Cb -0.05 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 2ain s SER 20 CO 0.10 -0.05 -0.07 0.27 0.41 0.00 0.00 173.24 173.90 2ain s ILE 21 N 0.57 2.11 -0.14 1.44 -5.25 -1.26 0.01 121.20 118.69 2ain s ILE 21 Ca -0.05 -2.16 -0.11 0.00 -0.99 0.00 0.00 60.65 57.33 2ain s ILE 21 Cb -0.08 -2.67 0.04 0.00 2.95 0.00 0.00 42.46 42.69 2ain s ILE 21 CO -0.01 -0.18 0.36 -0.69 -1.79 0.00 0.00 174.94 172.62 2ain s VAL 22 N -2.69 -0.01 -0.19 8.37 1.01 0.72 -4.76 120.40 122.86 2ain s VAL 22 Ca 0.33 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.13 2ain s VAL 22 Cb 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2ain s VAL 22 CO 0.16 0.01 0.64 0.00 0.00 0.00 0.00 175.10 175.92 2ain s ALA 23 N 0.52 3.53 0.05 5.51 0.00 -1.26 -1.59 121.76 128.52 2ain s ALA 23 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2ain s ALA 23 Cb -0.04 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2ain s ALA 23 CO -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 175.76 175.16 2ain s ALA 24 N 1.86 0.52 0.50 0.00 0.00 -1.11 -5.00 121.76 118.52 2ain s ALA 24 Ca 0.30 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2ain s ALA 24 Cb -0.16 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2ain s ALA 24 CO 0.11 -0.30 0.04 0.21 0.00 0.00 0.00 175.76 175.82 2ain s LYS 25 N -3.37 2.17 0.00 0.00 2.20 -1.26 -3.19 119.74 116.29 2ain s LYS 25 Ca 0.03 -2.39 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 2ain s LYS 25 Cb 0.04 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 2ain s LYS 25 CO -0.07 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2ain n GLY 26 N -1.21 2.82 3.70 5.54 0.00 -1.26 -5.10 105.19 109.67 2ain n GLY 26 Ca -0.17 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.47 4.61 0.00 -1.26 -4.51 121.76 121.46 2ain s ALA 27 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2ain s ALA 27 Cb 0.00 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2ain s ALA 27 CO 0.00 0.68 0.84 0.41 0.00 0.00 0.00 175.76 177.69 2ain n GLY 28 N 1.01 -0.52 2.80 0.00 0.00 -1.26 -4.98 105.19 102.24 2ain n GLY 28 Ca -0.13 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.94 0.95 -0.09 1.61 2.00 -1.26 -4.98 119.66 111.94 2ain s GLN 29 Ca 0.42 -0.84 0.08 0.00 -2.00 0.00 0.00 55.36 53.02 2ain s GLN 29 Cb -0.18 -2.23 0.39 0.00 0.80 0.00 0.00 33.01 31.78 2ain s GLN 29 CO 0.52 -0.76 1.15 -3.47 -0.50 0.00 0.00 175.29 172.23 2ain n ASP 30 N 4.86 3.05 -1.23 6.67 2.03 -1.26 -4.84 116.55 125.82 2ain n ASP 30 Ca -0.07 -2.36 -0.02 0.00 0.52 0.00 0.00 54.79 52.86 2ain n ASP 30 Cb 0.44 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.37 0.06 -5.01 -0.67 4.76 -1.26 -4.92 118.16 111.48 2ain n LYS 31 Ca 0.13 -0.33 -0.27 0.00 -2.87 0.00 0.00 58.31 54.97 2ain n LYS 31 Cb 0.63 0.30 -0.16 0.00 -1.84 0.00 0.00 35.03 33.96 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 2.03 -0.14 -0.35 2.96 -1.26 -4.86 118.68 117.05 2ain s LEU 32 Ca 0.04 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2ain s LEU 32 Cb 0.00 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 2ain s LEU 32 CO 0.03 0.24 0.02 -0.83 -1.32 0.00 0.00 176.35 174.48 2ain s GLY 33 N -0.41 1.84 -1.23 7.98 0.00 -1.19 -3.47 107.32 110.84 2ain s GLY 33 Ca 0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 2ain s GLY 33 CO -0.00 -0.17 1.73 1.39 0.00 0.00 0.00 173.10 176.05 2ain n ILE 34 N 3.10 4.57 -0.74 0.90 2.08 -1.26 -2.76 119.36 125.26 2ain n ILE 34 Ca -0.17 -4.80 -0.29 0.00 0.56 0.00 0.00 62.75 58.04 2ain n ILE 34 Cb 0.53 -2.31 0.22 0.00 -0.75 0.00 0.00 39.64 37.33 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 -0.29 1.61 -0.18 1.39 2.02 -0.62 -3.00 117.35 118.28 2ain s TYR 35 Ca 0.38 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 58.29 2ain s TYR 35 Cb 0.07 -3.16 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 2ain s TYR 35 CO 0.03 -3.43 -0.07 0.08 -1.57 0.00 0.00 175.55 170.58 2ain s VAL 36 N -2.62 3.37 -0.04 0.71 1.01 -0.50 -0.20 120.40 122.13 2ain s VAL 36 Ca 0.67 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2ain s VAL 36 Cb -0.23 -2.48 -0.27 0.00 0.00 0.00 0.00 36.38 33.40 2ain s VAL 36 CO 0.62 0.47 0.67 0.07 0.00 0.00 0.00 175.10 176.93 2ain h LYS 37 N 7.35 0.23 -2.60 2.72 2.10 -0.71 0.12 116.57 125.78 2ain h LYS 37 Ca -0.34 -0.40 0.04 0.00 -2.00 0.00 0.00 60.65 57.95 2ain h LYS 37 Cb 1.18 0.15 -0.14 0.00 -0.90 0.00 0.00 32.23 32.52 2ain h LYS 37 CO 0.59 1.07 0.34 -1.12 -2.00 0.00 0.00 179.45 178.34 2ain s SER 38 N -6.89 -0.48 -0.17 7.07 0.01 -1.18 -4.71 113.70 107.35 2ain s SER 38 Ca -0.13 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2ain s SER 38 Cb 0.07 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2ain s SER 38 CO 0.83 -0.79 -0.18 -0.69 0.41 0.00 0.00 173.24 172.82 2ain s VAL 39 N -3.30 2.35 0.11 3.43 1.01 -1.26 0.72 120.40 123.45 2ain s VAL 39 Ca 0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2ain s VAL 39 Cb -0.01 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 2ain s VAL 39 CO -0.10 0.52 1.06 -0.69 0.00 0.00 0.00 175.10 175.89 2ain s VAL 40 N 1.04 4.25 0.63 2.92 1.01 0.26 -4.88 120.40 125.63 2ain s VAL 40 Ca -0.01 1.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 2ain s VAL 40 Cb -0.14 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2ain s VAL 40 CO -0.05 0.24 1.10 -0.54 0.00 0.00 0.00 175.10 175.84 2ain s LYS 41 N 0.24 3.00 0.00 2.72 3.01 -1.26 -3.66 119.74 123.78 2ain s LYS 41 Ca 0.51 1.37 0.00 0.00 -1.01 0.00 0.00 55.97 56.83 2ain s LYS 41 Cb -0.26 -1.98 0.00 0.00 -1.01 0.00 0.00 37.83 34.58 2ain s LYS 41 CO 0.31 -1.09 0.00 0.41 0.51 0.00 0.00 175.35 175.49 2ain n GLY 42 N -0.57 3.36 0.00 -3.33 0.00 -1.26 -5.00 105.19 98.39 2ain n GLY 42 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.70 -2.14 0.11 -0.02 0.00 -1.24 -4.81 105.19 95.38 2ain n GLY 43 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 1.38 -0.03 4.61 0.00 -1.21 -4.00 120.51 118.27 2ain n ALA 44 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 2ain n ALA 44 Cb 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 0.58 0.07 -0.81 0.00 0.00 -1.90 -2.42 119.26 114.79 2ain h ALA 45 Ca -0.48 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.01 2ain h ALA 45 Cb 2.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 2ain h ALA 45 CO 0.02 0.09 0.54 0.22 0.00 0.00 0.00 179.25 180.11 2ain h ASP 46 N -0.36 0.91 0.46 0.00 3.58 -1.81 -1.29 116.42 117.91 2ain h ASP 46 Ca -0.02 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.24 2ain h ASP 46 Cb 0.93 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2ain h ASP 46 CO 0.05 0.64 -0.73 0.58 -2.88 0.00 0.00 179.24 176.91 2ain h VAL 47 N 1.06 1.43 -0.40 2.25 2.07 -1.69 -3.23 116.25 117.75 2ain h VAL 47 Ca 0.31 -2.26 -0.11 0.00 0.82 0.00 0.00 66.70 65.45 2ain h VAL 47 Cb -0.07 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2ain h VAL 47 CO -0.08 0.66 -0.20 -0.78 0.02 0.00 0.00 177.57 177.20 2ain h ASP 48 N 0.15 0.86 -2.95 0.57 3.58 -0.85 -3.48 116.42 114.29 2ain h ASP 48 Ca -0.02 -0.41 -0.09 0.00 0.42 0.00 0.00 57.03 56.93 2ain h ASP 48 Cb 1.29 -0.24 0.04 0.00 1.72 0.00 0.00 39.33 42.14 2ain h ASP 48 CO 0.11 1.08 -0.20 0.61 -2.88 0.00 0.00 179.24 177.96 2ain n GLY 49 N -0.05 0.24 0.09 -0.78 0.00 -0.55 -5.00 105.19 99.13 2ain n GLY 49 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.83 0.90 -4.58 1.61 5.12 -1.26 -5.05 116.66 111.58 2ain n ARG 50 Ca -0.08 0.06 -0.27 0.00 -1.93 0.00 0.00 57.85 55.64 2ain n ARG 50 Cb 0.54 -1.38 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 2ain n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ain s LEU 51 N -5.71 2.34 0.14 0.55 2.34 -1.26 -5.16 118.68 111.92 2ain s LEU 51 Ca -0.18 -1.51 -0.02 0.00 0.06 0.00 0.00 54.13 52.48 2ain s LEU 51 Cb 0.06 -0.54 -0.04 0.00 -0.56 0.00 0.00 46.19 45.11 2ain s LEU 51 CO 0.50 -0.70 0.08 0.00 -1.06 0.00 0.00 176.35 175.18 2ain s ALA 52 N -3.03 0.79 0.15 1.48 0.00 -1.26 -4.97 121.76 114.93 2ain s ALA 52 Ca 0.26 -1.43 -0.33 0.00 0.00 0.00 0.00 51.96 50.46 2ain s ALA 52 Cb 0.06 0.90 -0.13 0.00 0.00 0.00 0.00 23.12 23.96 2ain s ALA 52 CO 0.13 -0.51 1.68 0.00 0.00 0.00 0.00 175.76 177.06 2ain n ALA 53 N -0.12 1.86 0.00 0.00 0.00 -1.26 -3.69 120.51 117.30 2ain n ALA 53 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2ain n ALA 53 Cb 0.64 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2ain n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ain n GLY 54 N 3.78 1.12 3.42 0.00 0.00 0.43 -5.01 105.19 108.93 2ain n GLY 54 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2ain n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ain s ASP 55 N -2.00 3.65 0.20 1.61 1.47 -1.24 -4.58 116.67 115.78 2ain s ASP 55 Ca 0.00 -0.35 -0.20 0.00 1.18 0.00 0.00 52.55 53.18 2ain s ASP 55 Cb 0.00 -0.62 -0.08 0.00 -0.34 0.00 0.00 42.92 41.88 2ain s ASP 55 CO 0.00 0.31 0.71 -1.58 0.68 0.00 0.00 175.17 175.29 2ain s GLN 56 N -0.90 4.28 -0.05 2.11 -0.44 -1.24 -1.41 119.66 122.01 2ain s GLN 56 Ca 0.12 0.88 -0.05 0.00 -2.50 0.00 0.00 55.36 53.82 2ain s GLN 56 Cb -0.10 -2.97 -0.04 0.00 -1.64 0.00 0.00 33.01 28.26 2ain s GLN 56 CO 0.01 0.44 0.17 -1.17 0.50 0.00 0.00 175.29 175.25 2ain s LEU 57 N -1.78 4.38 0.11 3.68 1.98 -1.16 -2.01 118.68 123.88 2ain s LEU 57 Ca 0.40 0.41 0.00 0.00 -2.89 0.00 0.00 54.13 52.05 2ain s LEU 57 Cb -0.18 -2.42 0.00 0.00 0.66 0.00 0.00 46.19 44.26 2ain s LEU 57 CO 0.21 0.32 0.00 -0.11 -1.89 0.00 0.00 176.35 174.88 2ain n LEU 58 N 1.35 0.85 -4.01 -0.68 0.00 -0.94 -4.09 117.00 109.48 2ain n LEU 58 Ca -0.14 0.16 -0.08 0.00 0.00 0.00 0.00 56.01 55.95 2ain n LEU 58 Cb 0.53 -0.22 -0.10 0.00 0.00 0.00 0.00 43.42 43.63 2ain n LEU 58 CO 0.39 -0.68 -0.34 -0.94 0.00 0.00 0.00 177.39 175.82 2ain s SER 59 N -5.78 0.32 -0.16 1.96 1.04 -1.26 -1.99 113.70 107.83 2ain s SER 59 Ca 0.00 -0.68 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 2ain s SER 59 Cb 0.00 0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.33 2ain s SER 59 CO 0.00 -0.44 0.03 -0.69 0.98 0.00 0.00 173.24 173.12 2ain s VAL 60 N -2.50 0.46 -1.48 5.02 1.01 -0.70 -1.27 120.40 120.94 2ain s VAL 60 Ca -0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2ain s VAL 60 Cb -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2ain s VAL 60 CO -0.05 -0.08 0.49 0.47 0.00 0.00 0.00 175.10 175.94 2ain n ASP 61 N 5.09 -5.40 0.00 3.32 8.00 0.36 -1.15 116.55 126.76 2ain n ASP 61 Ca -0.08 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.16 2ain n ASP 61 Cb 0.48 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -1.36 3.37 3.78 0.44 0.00 -1.26 -4.99 105.19 105.17 2ain n GLY 62 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.74 3.33 -0.25 1.61 3.00 -0.30 -5.03 118.95 120.56 2ain s ARG 63 Ca 0.00 1.50 -0.07 0.00 0.00 0.00 0.00 55.73 57.16 2ain s ARG 63 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 34.95 32.92 2ain s ARG 63 CO 0.00 -0.85 0.06 -1.54 0.00 0.00 0.00 175.30 172.97 2ain s SER 64 N -2.04 5.02 0.00 0.23 1.04 -1.26 -1.72 113.70 114.97 2ain s SER 64 Ca 0.70 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.95 2ain s SER 64 Cb -0.21 -1.89 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 2ain s SER 64 CO 0.29 -0.05 0.47 0.18 0.98 0.00 0.00 173.24 175.12 2ain n LEU 65 N 4.90 0.61 -4.57 2.42 4.77 -0.84 -4.79 117.00 119.49 2ain n LEU 65 Ca -0.16 -0.54 -0.26 0.00 -0.03 0.00 0.00 56.01 55.01 2ain n LEU 65 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2ain n LEU 65 CO 0.31 0.14 1.42 0.54 -1.33 0.00 0.00 177.39 178.47 2ain s VAL 66 N -1.90 3.47 0.00 4.08 0.11 -1.19 -1.73 120.40 123.24 2ain s VAL 66 Ca 0.05 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2ain s VAL 66 Cb 0.08 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 2ain s VAL 66 CO 0.40 -0.89 0.00 0.61 -3.33 0.00 0.00 175.10 171.90 2ain n GLY 67 N 6.19 1.14 3.91 6.54 0.00 -1.23 -4.73 105.19 117.01 2ain n GLY 67 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 2.70 0.63 0.99 1.43 -0.70 -4.53 118.68 119.19 2ain s LEU 68 Ca 0.00 0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 53.72 2ain s LEU 68 Cb 0.00 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.96 2ain s LEU 68 CO 0.00 -1.69 0.93 -0.44 0.23 0.00 0.00 176.35 175.39 2ain s SER 69 N -4.52 5.35 0.54 2.29 0.01 -1.26 -4.61 113.70 111.50 2ain s SER 69 Ca 0.60 0.62 0.22 0.00 1.31 0.00 0.00 55.95 58.71 2ain s SER 69 Cb -0.11 -1.51 1.43 0.00 0.21 0.00 0.00 66.02 66.05 2ain s SER 69 CO 0.47 -1.23 2.11 -0.61 0.41 0.00 0.00 173.24 174.39 2ain h GLN 70 N -0.30 0.00 -0.18 12.44 4.15 -1.97 -1.96 115.11 127.29 2ain h GLN 70 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 2ain h GLN 70 Cb 1.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 2ain h GLN 70 CO 0.60 0.00 0.04 0.93 -1.93 0.00 0.00 178.83 178.47 2ain h GLU 71 N 0.00 0.29 0.28 1.69 5.08 -1.98 0.19 114.58 120.14 2ain h GLU 71 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2ain h GLU 71 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ain h GLU 71 CO -0.00 0.43 -0.14 0.00 -1.00 0.00 0.00 179.01 178.30 2ain h ARG 72 N 0.09 -0.37 -0.09 2.33 -0.00 -1.76 -0.03 114.38 114.57 2ain h ARG 72 Ca 0.06 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.58 2ain h ARG 72 Cb 0.28 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.31 2ain h ARG 72 CO 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 179.97 179.83 2ain h ALA 73 N -0.02 0.01 0.44 0.04 0.00 -1.43 -0.59 119.26 117.71 2ain h ALA 73 Ca -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ain h ALA 73 Cb 0.46 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2ain h ALA 73 CO 0.06 -0.53 -0.34 0.00 0.00 0.00 0.00 179.25 178.45 2ain h ALA 74 N 1.01 -1.09 -0.74 0.00 0.00 -0.62 0.54 119.26 118.35 2ain h ALA 74 Ca 0.06 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.98 2ain h ALA 74 Cb 0.15 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 2ain h ALA 74 CO -0.13 -1.09 -0.02 0.93 0.00 0.00 0.00 179.25 178.94 2ain h GLU 75 N -0.76 0.08 0.00 0.00 4.39 -0.94 0.48 114.58 117.84 2ain h GLU 75 Ca -0.06 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2ain h GLU 75 Cb 0.63 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2ain h GLU 75 CO 0.01 0.05 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.53 2ain h LEU 76 N 0.08 0.00 0.00 1.33 3.38 -0.97 -2.82 115.31 116.32 2ain h LEU 76 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2ain h LEU 76 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2ain h LEU 76 CO -0.67 0.32 -0.62 0.24 0.09 0.00 0.00 178.44 177.80 2ain h MET 77 N 0.00 0.00 -0.13 1.13 2.86 0.20 -3.35 114.93 115.63 2ain h MET 77 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 2ain h MET 77 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2ain h MET 77 CO 0.04 0.00 -0.46 1.79 1.06 0.00 0.00 176.91 179.34 2ain h THR 78 N 0.00 1.35 -2.04 2.22 1.35 -0.00 -3.33 112.91 112.46 2ain h THR 78 Ca 0.00 -1.75 -0.78 0.00 -0.55 0.00 0.00 66.41 63.33 2ain h THR 78 Cb 1.00 2.08 -0.22 0.00 -1.73 0.00 0.00 68.15 69.28 2ain h THR 78 CO 0.00 0.53 1.47 0.54 -0.25 0.00 0.00 175.52 177.81 2ain n ARG 79 N -4.24 4.56 -3.01 4.72 1.74 -1.18 -5.01 116.66 114.24 2ain n ARG 79 Ca -0.07 -4.12 -0.34 0.00 -0.77 0.00 0.00 57.85 52.54 2ain n ARG 79 Cb 0.57 -2.62 -0.06 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 -2.12 4.52 0.00 0.55 -4.23 -1.25 -4.99 115.64 108.11 2ain s THR 80 Ca 0.40 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 62.20 2ain s THR 80 Cb 0.12 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2ain s THR 80 CO -0.02 -0.04 0.00 -0.24 -0.54 0.00 0.00 174.62 173.79 2ain n SER 81 N 0.06 0.00 -0.24 3.99 2.88 -1.26 -4.97 113.62 114.09 2ain n SER 81 Ca 0.02 -0.75 -0.01 0.00 -1.33 0.00 0.00 58.87 56.80 2ain n SER 81 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.56 -2.77 -3.46 0.02 -1.95 -3.41 113.55 102.54 2ain h SER 82 Ca 0.00 0.03 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 2ain h SER 82 Cb 0.00 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 2ain h SER 82 CO 0.00 0.36 -0.49 -0.69 -1.14 0.00 0.00 176.83 174.87 2ain s VAL 83 N -6.09 5.44 -0.13 2.27 1.01 -1.26 -0.97 120.40 120.67 2ain s VAL 83 Ca -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2ain s VAL 83 Cb 0.16 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2ain s VAL 83 CO 0.76 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 175.63 2ain s VAL 84 N -1.24 0.16 -0.73 2.92 1.01 -0.01 -4.96 120.40 117.54 2ain s VAL 84 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2ain s VAL 84 Cb -0.12 -0.61 0.19 0.00 0.00 0.00 0.00 36.38 35.83 2ain s VAL 84 CO 0.15 -0.08 0.58 -0.89 0.00 0.00 0.00 175.10 174.86 2ain s THR 85 N 2.04 4.03 -0.21 3.92 2.01 -1.25 -1.71 115.64 124.47 2ain s THR 85 Ca 0.02 -3.27 -0.16 0.00 0.31 0.00 0.00 61.69 58.59 2ain s THR 85 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2ain s THR 85 CO -0.07 -0.96 0.41 -0.76 -0.69 0.00 0.00 174.62 172.55 2ain s LEU 86 N -0.52 4.14 -0.26 4.42 1.43 -1.02 -0.49 118.68 126.37 2ain s LEU 86 Ca 0.21 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 2ain s LEU 86 Cb -0.15 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2ain s LEU 86 CO -0.07 -0.10 0.23 -0.70 0.23 0.00 0.00 176.35 175.94 2ain s GLU 87 N 1.46 4.00 0.39 1.70 2.12 -0.40 -0.97 118.70 127.01 2ain s GLU 87 Ca 0.19 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.38 2ain s GLU 87 Cb -0.15 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.55 2ain s GLU 87 CO 0.08 -0.14 0.05 0.14 -0.54 0.00 0.00 175.26 174.85 2ain s VAL 88 N 1.64 2.20 -0.21 3.70 -7.23 0.29 -2.22 120.40 118.57 2ain s VAL 88 Ca 0.09 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2ain s VAL 88 Cb -0.15 -2.94 0.05 0.00 0.56 0.00 0.00 36.38 33.91 2ain s VAL 88 CO 0.09 -0.05 -0.04 0.00 -0.31 0.00 0.00 175.10 174.80 2ain s ALA 89 N -2.64 1.66 -0.28 1.32 0.00 -0.85 -1.78 121.76 119.19 2ain s ALA 89 Ca 0.36 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 2ain s ALA 89 Cb 0.06 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2ain s ALA 89 CO 0.19 -1.08 1.94 0.15 0.00 0.00 0.00 175.76 176.97 2ain s LYS 90 N 1.54 3.28 0.30 0.00 -0.14 -0.70 -3.64 119.74 120.37 2ain s LYS 90 Ca -0.03 1.66 -0.12 0.00 -1.36 0.00 0.00 55.97 56.12 2ain s LYS 90 Cb -0.18 -4.26 0.05 0.00 -1.68 0.00 0.00 37.83 31.77 2ain s LYS 90 CO -0.07 -1.93 0.62 0.00 -0.76 0.00 0.00 175.35 173.21 2ain n GLN 91 N 8.53 0.86 0.00 1.68 10.64 -1.26 -4.31 117.38 133.51 2ain n GLN 91 Ca 0.25 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.74 2ain n GLN 91 Cb 0.46 2.11 0.00 0.00 -0.86 0.00 0.00 30.24 31.95 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ain n GLY 92 N -0.42 2.88 0.00 2.61 0.00 -1.26 -4.82 105.19 104.18 2ain n GLY 92 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32