#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain s LYS 2 N 0.00 4.20 -0.18 2.12 3.01 -1.26 -5.00 119.74 122.63 2ain s LYS 2 Ca 0.00 2.36 -0.02 0.00 -1.01 0.00 0.00 55.97 57.30 2ain s LYS 2 Cb 0.00 -3.42 0.06 0.00 -1.01 0.00 0.00 37.83 33.46 2ain s LYS 2 CO 0.00 -0.69 0.02 -1.21 0.51 0.00 0.00 175.35 173.98 2ain s GLU 3 N 2.04 0.74 0.11 1.68 0.41 -1.26 -5.15 118.70 117.27 2ain s GLU 3 Ca 0.73 -0.40 -0.02 0.00 -0.41 0.00 0.00 54.97 54.87 2ain s GLU 3 Cb -0.42 -2.01 0.03 0.00 -1.78 0.00 0.00 34.13 29.95 2ain s GLU 3 CO 0.32 -0.59 0.10 -0.35 -0.49 0.00 0.00 175.26 174.25 2ain n PRO 4 N 5.03 -1.11 -3.97 0.39 -0.04 -1.26 -5.04 135.00 129.00 2ain n PRO 4 Ca -0.09 -0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 62.90 2ain n PRO 4 Cb 0.47 -0.15 -0.15 0.00 -0.04 0.00 0.00 33.50 33.64 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 -3.23 1.45 -0.17 0.54 2.12 -1.26 -5.01 118.70 113.14 2ain s GLU 5 Ca 0.07 -1.89 -0.14 0.00 0.36 0.00 0.00 54.97 53.37 2ain s GLU 5 Cb -0.01 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 2ain s GLU 5 CO 0.05 -0.97 0.31 0.42 -0.54 0.00 0.00 175.26 174.53 2ain s ILE 6 N 0.81 5.29 -0.06 -3.70 -1.09 -1.26 -1.65 121.20 119.54 2ain s ILE 6 Ca 0.12 0.58 -0.07 0.00 -2.23 0.00 0.00 60.65 59.05 2ain s ILE 6 Cb -0.20 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 2ain s ILE 6 CO -0.09 0.36 0.18 0.27 -1.23 0.00 0.00 174.94 174.43 2ain s ILE 7 N 0.65 0.01 0.10 2.92 -4.36 0.29 -4.97 121.20 115.84 2ain s ILE 7 Ca 0.17 -0.10 0.07 0.00 -0.26 0.00 0.00 60.65 60.52 2ain s ILE 7 Cb -0.13 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.24 2ain s ILE 7 CO 0.05 -0.06 -0.08 0.28 0.24 0.00 0.00 174.94 175.37 2ain s THR 8 N -0.12 3.50 -0.22 8.37 -1.32 -1.26 0.58 115.64 125.16 2ain s THR 8 Ca -0.02 -1.20 -0.02 0.00 -1.21 0.00 0.00 61.69 59.23 2ain s THR 8 Cb -0.02 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 2ain s THR 8 CO 0.00 0.12 -0.07 0.68 -2.21 0.00 0.00 174.62 173.15 2ain s VAL 9 N -1.22 3.01 -0.58 5.08 -7.23 -0.96 -4.92 120.40 113.58 2ain s VAL 9 Ca 0.22 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 2ain s VAL 9 Cb -0.11 -2.41 0.09 0.00 0.56 0.00 0.00 36.38 34.51 2ain s VAL 9 CO 0.14 0.36 0.70 -0.89 -0.31 0.00 0.00 175.10 175.11 2ain s THR 10 N 1.40 4.80 0.19 5.32 2.01 -1.25 -3.31 115.64 124.81 2ain s THR 10 Ca 0.04 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2ain s THR 10 Cb -0.15 -4.46 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 2ain s THR 10 CO -0.05 -1.08 -0.05 -0.76 -0.69 0.00 0.00 174.62 171.99 2ain s LEU 11 N 2.75 2.34 -0.12 4.42 1.43 -0.46 -4.94 118.68 124.09 2ain s LEU 11 Ca 0.13 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.92 2ain s LEU 11 Cb -0.23 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 2ain s LEU 11 CO 0.08 -0.43 0.46 -0.54 0.23 0.00 0.00 176.35 176.15 2ain s LYS 12 N -3.81 4.33 0.17 1.70 1.02 -1.26 -0.08 119.74 121.81 2ain s LYS 12 Ca 0.23 0.42 -0.27 0.00 0.02 0.00 0.00 55.97 56.38 2ain s LYS 12 Cb 0.04 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.83 2ain s LYS 12 CO 0.05 0.16 0.82 0.21 -0.92 0.00 0.00 175.35 175.67 2ain s LYS 13 N 0.63 4.64 -0.17 1.68 2.20 0.91 -4.87 119.74 124.75 2ain s LYS 13 Ca 0.25 1.24 -0.14 0.00 -0.36 0.00 0.00 55.97 56.97 2ain s LYS 13 Cb -0.15 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 2ain s LYS 13 CO 0.10 0.53 -0.18 1.04 -0.36 0.00 0.00 175.35 176.47 2ain n GLN 14 N 1.70 0.50 -2.37 4.03 1.13 -1.26 -4.88 117.38 116.23 2ain n GLN 14 Ca -0.04 0.44 -0.03 0.00 -1.94 0.00 0.00 57.00 55.42 2ain n GLN 14 Cb 0.48 -1.62 0.09 0.00 0.11 0.00 0.00 30.24 29.30 2ain n GLN 14 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ain n ASN 15 N -4.52 -1.24 0.00 1.08 2.85 -1.26 -5.15 115.26 107.03 2ain n ASN 15 Ca -0.16 -2.17 0.00 0.00 -0.11 0.00 0.00 54.58 52.14 2ain n ASN 15 Cb 0.44 0.56 0.00 0.00 1.24 0.00 0.00 39.78 42.02 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 -1.22 0.69 0.24 8.20 0.00 -1.26 -4.97 105.19 106.87 2ain n GLY 16 Ca -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 0.13 -2.39 1.61 2.81 -1.26 -4.07 117.12 113.95 2ain n MET 17 Ca 0.00 0.04 -0.02 0.00 -1.81 0.00 0.00 57.70 55.91 2ain n MET 17 Cb 0.00 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 3.08 -0.95 3.82 3.03 0.00 -1.26 -4.05 105.19 108.87 2ain n GLY 18 Ca -0.10 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.71 -0.02 0.08 0.99 0.05 -1.26 0.68 118.68 116.49 2ain s LEU 19 Ca 0.06 -1.05 0.05 0.00 0.05 0.00 0.00 54.13 53.24 2ain s LEU 19 Cb -0.02 2.77 -0.03 0.00 -2.05 0.00 0.00 46.19 46.86 2ain s LEU 19 CO 0.46 -1.59 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.08 2ain s SER 20 N -3.08 1.72 0.02 1.48 0.01 0.18 -4.84 113.70 109.19 2ain s SER 20 Ca 0.16 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 2ain s SER 20 Cb -0.05 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 2ain s SER 20 CO 0.10 -0.09 0.06 0.27 0.41 0.00 0.00 173.24 174.00 2ain s ILE 21 N -1.41 0.12 -0.02 1.44 -5.25 -1.26 -0.25 121.20 114.57 2ain s ILE 21 Ca -0.00 -0.99 0.02 0.00 -0.99 0.00 0.00 60.65 58.69 2ain s ILE 21 Cb -0.09 -0.63 0.01 0.00 2.95 0.00 0.00 42.46 44.69 2ain s ILE 21 CO 0.02 -0.55 -0.07 -0.69 -1.79 0.00 0.00 174.94 171.87 2ain s VAL 22 N -2.05 0.63 0.02 8.37 1.01 -0.33 -4.73 120.40 123.32 2ain s VAL 22 Ca -0.10 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2ain s VAL 22 Cb -0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2ain s VAL 22 CO -0.02 0.21 0.64 0.00 0.00 0.00 0.00 175.10 175.93 2ain s ALA 23 N 0.25 3.46 0.02 5.51 0.00 -1.26 -2.16 121.76 127.59 2ain s ALA 23 Ca -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 2ain s ALA 23 Cb -0.08 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 2ain s ALA 23 CO 0.00 0.15 0.13 0.00 0.00 0.00 0.00 175.76 176.05 2ain s ALA 24 N -0.21 -0.24 0.47 0.00 0.00 -1.23 -5.03 121.76 115.52 2ain s ALA 24 Ca 0.33 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2ain s ALA 24 Cb -0.19 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2ain s ALA 24 CO 0.19 -0.27 0.06 1.17 0.00 0.00 0.00 175.76 176.90 2ain n LYS 25 N 1.07 0.70 0.00 0.00 4.81 -1.26 -3.49 118.16 119.99 2ain n LYS 25 Ca -0.21 -3.59 0.00 0.00 -0.87 0.00 0.00 58.31 53.64 2ain n LYS 25 Cb 0.57 1.34 0.00 0.00 0.02 0.00 0.00 35.03 36.96 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 -0.94 4.13 3.59 3.14 0.00 -1.26 -5.11 105.19 108.74 2ain n GLY 26 Ca -0.15 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.21 3.00 -1.18 4.61 0.00 -1.26 -4.58 121.76 121.13 2ain s ALA 27 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2ain s ALA 27 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2ain s ALA 27 CO 0.00 0.58 1.01 0.41 0.00 0.00 0.00 175.76 177.76 2ain n GLY 28 N 2.07 -0.37 2.73 0.00 0.00 -1.26 -5.00 105.19 103.35 2ain n GLY 28 Ca -0.17 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.68 0.65 -0.13 1.61 2.00 -1.26 -4.99 119.66 111.86 2ain s GLN 29 Ca 0.23 -0.53 0.07 0.00 -2.00 0.00 0.00 55.36 53.12 2ain s GLN 29 Cb -0.10 -2.04 0.41 0.00 0.80 0.00 0.00 33.01 32.07 2ain s GLN 29 CO 0.68 -0.72 1.17 -3.47 -0.50 0.00 0.00 175.29 172.45 2ain n ASP 30 N 5.03 3.41 -0.89 6.67 2.03 -1.26 -4.88 116.55 126.66 2ain n ASP 30 Ca -0.08 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.72 2ain n ASP 30 Cb 0.46 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.25 0.00 -4.06 -0.67 4.76 -1.26 -4.82 118.16 112.37 2ain n LYS 31 Ca 0.16 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 2ain n LYS 31 Cb 0.77 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.84 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 2.17 -0.16 -0.35 2.96 -1.26 -4.81 118.68 117.23 2ain s LEU 32 Ca 0.00 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2ain s LEU 32 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 2ain s LEU 32 CO 0.00 -0.14 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.03 2ain s GLY 33 N -1.08 1.71 -1.03 7.98 0.00 -1.23 -3.77 107.32 109.91 2ain s GLY 33 Ca -0.07 -0.86 -0.18 0.00 0.00 0.00 0.00 44.72 43.60 2ain s GLY 33 CO 0.00 -0.00 1.29 -0.42 0.00 0.00 0.00 173.10 173.97 2ain s ILE 34 N 0.51 4.60 0.79 0.90 -1.09 -1.26 -3.48 121.20 122.16 2ain s ILE 34 Ca -0.03 -1.67 -0.12 0.00 -2.23 0.00 0.00 60.65 56.60 2ain s ILE 34 Cb -0.14 -4.89 0.07 0.00 -1.58 0.00 0.00 42.46 35.92 2ain s ILE 34 CO 0.03 -1.65 1.15 -0.31 -1.23 0.00 0.00 174.94 172.93 2ain s TYR 35 N 2.98 3.01 -0.14 3.97 2.02 -0.92 -2.39 117.35 125.88 2ain s TYR 35 Ca 0.39 0.87 -0.09 0.00 -0.37 0.00 0.00 57.07 57.87 2ain s TYR 35 Cb -0.03 -3.34 -0.05 0.00 -0.40 0.00 0.00 41.96 38.15 2ain s TYR 35 CO -0.06 -1.67 0.17 0.08 -1.57 0.00 0.00 175.55 172.50 2ain s VAL 36 N -3.46 5.42 -0.26 0.71 1.01 -0.55 -1.18 120.40 122.10 2ain s VAL 36 Ca 0.61 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 2ain s VAL 36 Cb -0.12 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.64 2ain s VAL 36 CO 0.51 0.53 -0.24 1.17 0.00 0.00 0.00 175.10 177.07 2ain n LYS 37 N 2.63 0.62 -3.45 2.72 3.00 0.65 -0.35 118.16 123.98 2ain n LYS 37 Ca -0.17 0.16 0.03 0.00 -0.00 0.00 0.00 58.31 58.32 2ain n LYS 37 Cb 0.53 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.01 2ain n LYS 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2ain s SER 38 N -6.58 -0.10 0.04 3.14 0.15 -1.19 -4.69 113.70 104.46 2ain s SER 38 Ca -0.35 0.15 -0.22 0.00 0.70 0.00 0.00 55.95 56.24 2ain s SER 38 Cb 0.10 1.08 -0.06 0.00 -1.71 0.00 0.00 66.02 65.43 2ain s SER 38 CO 0.57 -0.02 0.65 0.68 1.20 0.00 0.00 173.24 176.31 2ain s VAL 39 N 1.52 4.79 -0.15 4.45 -7.23 -1.26 0.51 120.40 123.03 2ain s VAL 39 Ca -0.04 1.37 -0.18 0.00 -1.81 0.00 0.00 61.98 61.32 2ain s VAL 39 Cb -0.02 -3.99 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 2ain s VAL 39 CO -0.13 0.44 0.47 -0.69 -0.31 0.00 0.00 175.10 174.88 2ain s VAL 40 N -0.40 5.17 0.58 1.32 1.01 0.22 -4.92 120.40 123.38 2ain s VAL 40 Ca 0.33 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.01 2ain s VAL 40 Cb -0.19 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2ain s VAL 40 CO 0.20 0.28 1.28 -0.54 0.00 0.00 0.00 175.10 176.32 2ain s LYS 41 N 0.95 2.96 0.00 2.72 -0.14 -1.26 -3.16 119.74 121.80 2ain s LYS 41 Ca 0.24 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 56.89 2ain s LYS 41 Cb -0.15 -2.05 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 2ain s LYS 41 CO 0.09 -1.27 0.00 0.41 -0.76 0.00 0.00 175.35 173.82 2ain n GLY 42 N 0.70 2.94 3.75 -3.33 0.00 -1.26 -5.05 105.19 102.93 2ain n GLY 42 Ca 0.13 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2ain n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ain s GLY 43 N -2.88 2.47 0.39 -0.02 0.00 -1.19 -4.74 107.32 101.36 2ain s GLY 43 Ca 0.00 0.84 0.17 0.00 0.00 0.00 0.00 44.72 45.73 2ain s GLY 43 CO 0.00 1.22 1.79 0.00 0.00 0.00 0.00 173.10 176.11 2ain h ALA 44 N 0.35 2.16 -0.15 3.20 0.00 -1.71 0.21 119.26 123.32 2ain h ALA 44 Ca -0.49 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2ain h ALA 44 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ain h ALA 44 CO 0.53 -0.55 -0.35 0.00 0.00 0.00 0.00 179.25 178.89 2ain h ALA 45 N 1.62 0.24 -0.64 0.00 0.00 -1.87 -3.14 119.26 115.48 2ain h ALA 45 Ca 0.57 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ain h ALA 45 Cb 1.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2ain h ALA 45 CO -0.29 0.30 0.11 0.22 0.00 0.00 0.00 179.25 179.60 2ain h ASP 46 N 0.12 0.98 -0.96 0.00 1.82 -1.41 -0.75 116.42 116.22 2ain h ASP 46 Ca -0.00 -0.22 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 2ain h ASP 46 Cb 0.96 -0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.65 2ain h ASP 46 CO 0.08 0.97 0.62 0.58 -1.61 0.00 0.00 179.24 179.88 2ain h VAL 47 N 0.97 1.11 0.01 2.25 2.07 -1.06 -2.99 116.25 118.60 2ain h VAL 47 Ca 0.20 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2ain h VAL 47 Cb 0.41 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2ain h VAL 47 CO 0.01 0.21 -0.05 0.44 0.02 0.00 0.00 177.57 178.19 2ain h ASP 48 N 1.14 0.04 -2.73 0.57 3.32 -1.46 -3.50 116.42 113.80 2ain h ASP 48 Ca 0.40 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2ain h ASP 48 Cb 0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ain h ASP 48 CO -0.15 0.94 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 2ain n GLY 49 N 1.38 -0.45 0.73 2.75 0.00 -0.31 -5.04 105.19 104.24 2ain n GLY 49 Ca -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.60 0.06 -3.61 1.61 5.12 -1.26 -5.10 116.66 112.88 2ain n ARG 50 Ca 0.00 -1.31 -0.05 0.00 -1.93 0.00 0.00 57.85 54.56 2ain n ARG 50 Cb 0.14 -0.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.98 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 -0.12 -0.16 0.00 0.55 0.05 -1.26 -5.01 118.68 112.73 2ain s LEU 51 Ca 0.09 0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.44 2ain s LEU 51 Cb 0.11 1.39 -0.02 0.00 -2.05 0.00 0.00 46.19 45.61 2ain s LEU 51 CO -0.04 -0.18 0.35 0.00 -0.55 0.00 0.00 176.35 175.93 2ain n ALA 52 N 0.35 0.43 -1.78 1.48 0.00 -1.26 -5.00 120.51 114.72 2ain n ALA 52 Ca -0.02 -1.91 -0.41 0.00 0.00 0.00 0.00 53.44 51.10 2ain n ALA 52 Cb 0.58 1.54 -0.02 0.00 0.00 0.00 0.00 19.45 21.56 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 -3.23 3.52 0.00 0.00 0.00 -1.26 -3.33 121.76 117.46 2ain s ALA 53 Ca 0.38 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2ain s ALA 53 Cb 0.01 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2ain s ALA 53 CO 0.27 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2ain n GLY 54 N 0.90 0.86 3.97 0.00 0.00 0.52 -4.98 105.19 106.47 2ain n GLY 54 Ca 0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.41 5.05 0.01 1.61 1.01 -1.21 -4.85 116.67 115.87 2ain s ASP 55 Ca 0.00 -0.87 0.06 0.00 0.71 0.00 0.00 52.55 52.45 2ain s ASP 55 Cb 0.00 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.93 2ain s ASP 55 CO 0.00 -1.06 -0.20 -1.58 0.21 0.00 0.00 175.17 172.54 2ain s GLN 56 N -4.42 1.46 0.32 8.23 0.74 -1.26 -1.47 119.66 123.26 2ain s GLN 56 Ca 0.51 -0.80 0.08 0.00 0.05 0.00 0.00 55.36 55.20 2ain s GLN 56 Cb -0.05 -1.48 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 2ain s GLN 56 CO 0.31 0.39 0.23 -1.17 -0.55 0.00 0.00 175.29 174.50 2ain s LEU 57 N -0.80 3.52 0.17 3.68 2.96 -1.01 -0.38 118.68 126.82 2ain s LEU 57 Ca 0.07 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2ain s LEU 57 Cb -0.08 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2ain s LEU 57 CO 0.00 -0.28 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 2ain n LEU 58 N -1.26 -0.13 -4.29 -0.68 4.77 -0.45 -4.42 117.00 110.54 2ain n LEU 58 Ca -0.03 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 2ain n LEU 58 Cb 0.60 0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 2ain n LEU 58 CO 0.43 -0.66 -0.47 -0.44 -1.33 0.00 0.00 177.39 174.92 2ain s SER 59 N -4.97 2.35 -0.21 -1.43 0.01 -1.25 -1.70 113.70 106.51 2ain s SER 59 Ca 0.00 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 2ain s SER 59 Cb 0.00 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.20 2ain s SER 59 CO 0.00 -0.08 0.15 -0.69 0.41 0.00 0.00 173.24 173.03 2ain s VAL 60 N -2.04 -0.17 -1.23 3.43 1.01 -0.66 -0.18 120.40 120.57 2ain s VAL 60 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2ain s VAL 60 Cb -0.06 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 2ain s VAL 60 CO 0.05 -0.34 0.89 0.47 0.00 0.00 0.00 175.10 176.16 2ain n ASP 61 N 5.29 -2.03 -0.88 3.32 9.92 0.40 -1.86 116.55 130.71 2ain n ASP 61 Ca -0.06 -0.70 -0.11 0.00 -0.53 0.00 0.00 54.79 53.39 2ain n ASP 61 Cb 0.48 -4.73 -0.04 0.00 -0.64 0.00 0.00 41.12 36.19 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ain n GLY 62 N -1.30 1.03 3.64 0.44 0.00 -1.26 -4.99 105.19 102.74 2ain n GLY 62 Ca -0.28 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.14 2.23 -0.29 1.61 0.52 -0.78 -5.12 118.95 113.98 2ain s ARG 63 Ca 0.00 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 2ain s ARG 63 Cb 0.00 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2ain s ARG 63 CO 0.00 0.32 -0.00 -1.12 0.02 0.00 0.00 175.30 174.52 2ain s SER 64 N -3.68 4.82 -0.60 0.23 0.01 -1.26 -1.65 113.70 111.57 2ain s SER 64 Ca 0.32 -1.19 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2ain s SER 64 Cb -0.05 -1.71 0.32 0.00 0.21 0.00 0.00 66.02 64.78 2ain s SER 64 CO 0.20 -0.24 2.14 0.18 0.41 0.00 0.00 173.24 175.93 2ain n LEU 65 N 4.64 7.22 -4.23 2.44 4.77 -0.69 -4.87 117.00 126.30 2ain n LEU 65 Ca -0.14 -4.16 -0.42 0.00 -0.03 0.00 0.00 56.01 51.26 2ain n LEU 65 Cb 0.44 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.40 2ain n LEU 65 CO 0.27 1.52 0.01 -0.69 -1.33 0.00 0.00 177.39 177.16 2ain s VAL 66 N -3.95 4.40 0.00 4.08 1.01 -1.26 -4.36 120.40 120.32 2ain s VAL 66 Ca 0.54 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2ain s VAL 66 Cb 0.42 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2ain s VAL 66 CO -0.13 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.79 2ain n GLY 67 N 4.97 1.95 3.42 4.51 0.00 -1.25 -4.81 105.19 113.98 2ain n GLY 67 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 2.53 0.66 0.99 1.43 -1.26 -4.82 118.68 118.21 2ain s LEU 68 Ca 0.00 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.02 2ain s LEU 68 Cb 0.00 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2ain s LEU 68 CO 0.00 0.01 1.06 -0.94 0.23 0.00 0.00 176.35 176.71 2ain s SER 69 N -3.17 5.85 0.37 2.29 1.04 -1.26 -4.67 113.70 114.15 2ain s SER 69 Ca 0.24 1.29 0.10 0.00 0.48 0.00 0.00 55.95 58.07 2ain s SER 69 Cb -0.05 -2.22 0.87 0.00 0.10 0.00 0.00 66.02 64.72 2ain s SER 69 CO 0.11 -1.10 1.89 -0.61 0.98 0.00 0.00 173.24 174.50 2ain h GLN 70 N -0.48 0.61 0.80 4.02 4.15 -1.99 0.15 115.11 122.37 2ain h GLN 70 Ca -0.44 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.90 2ain h GLN 70 Cb 1.22 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.78 2ain h GLN 70 CO 0.63 0.40 -0.38 1.49 -1.93 0.00 0.00 178.83 179.04 2ain h GLU 71 N 0.63 -1.04 -0.68 1.69 4.81 -1.99 0.12 114.58 118.12 2ain h GLU 71 Ca 0.42 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.74 2ain h GLU 71 Cb 0.73 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 2ain h GLU 71 CO -0.18 -0.68 0.45 0.00 -0.73 0.00 0.00 179.01 177.86 2ain h ARG 72 N -1.27 0.87 0.59 1.92 2.47 -1.85 -0.29 114.38 116.83 2ain h ARG 72 Ca -0.11 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 2ain h ARG 72 Cb 0.83 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2ain h ARG 72 CO 0.18 0.57 -0.28 0.00 0.56 0.00 0.00 179.97 181.00 2ain h ALA 73 N 1.59 -0.94 -0.43 0.04 0.00 -0.66 -1.14 119.26 117.71 2ain h ALA 73 Ca 0.25 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2ain h ALA 73 Cb -0.06 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2ain h ALA 73 CO -0.06 -0.89 0.16 0.00 0.00 0.00 0.00 179.25 178.46 2ain h ALA 74 N -1.42 0.51 0.22 0.00 0.00 -0.92 -1.75 119.26 115.91 2ain h ALA 74 Ca -0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ain h ALA 74 Cb 0.61 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ain h ALA 74 CO 0.13 -0.23 -0.27 1.49 0.00 0.00 0.00 179.25 180.37 2ain h GLU 75 N 0.33 -0.52 -0.76 0.00 4.57 -1.12 0.77 114.58 117.84 2ain h GLU 75 Ca 0.20 0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.58 2ain h GLU 75 Cb 0.19 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 2ain h GLU 75 CO -0.20 -0.35 0.52 -0.07 -1.18 0.00 0.00 179.01 177.73 2ain h LEU 76 N -0.54 0.32 0.04 1.64 3.38 -0.93 0.89 115.31 120.11 2ain h LEU 76 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ain h LEU 76 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ain h LEU 76 CO -0.09 0.15 -0.02 0.24 0.09 0.00 0.00 178.44 178.82 2ain h MET 77 N 0.33 -0.05 -0.29 1.13 2.86 -0.48 -3.30 114.93 115.14 2ain h MET 77 Ca 0.38 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.98 2ain h MET 77 Cb 0.99 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 2ain h MET 77 CO -0.11 0.61 0.01 0.00 1.06 0.00 0.00 176.91 178.48 2ain h THR 78 N -0.79 1.17 -0.37 2.22 1.03 -0.39 -3.04 112.91 112.75 2ain h THR 78 Ca -0.01 -0.65 -0.27 0.00 -0.01 0.00 0.00 66.41 65.48 2ain h THR 78 Cb 0.67 0.94 -0.10 0.00 -1.07 0.00 0.00 68.15 68.59 2ain h THR 78 CO 0.01 0.22 -0.02 -2.11 -0.01 0.00 0.00 175.52 173.62 2ain n ARG 79 N -4.32 1.96 -2.94 0.00 1.85 0.26 -4.91 116.66 108.56 2ain n ARG 79 Ca 0.01 -1.32 -0.21 0.00 -1.00 0.00 0.00 57.85 55.33 2ain n ARG 79 Cb 0.21 -1.86 0.08 0.00 -1.05 0.00 0.00 32.46 29.84 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2ain s THR 80 N -0.46 2.04 0.00 8.89 -4.23 -1.15 -4.95 115.64 115.78 2ain s THR 80 Ca 0.51 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2ain s THR 80 Cb 0.29 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2ain s THR 80 CO -0.07 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.81 2ain n SER 81 N -2.43 0.00 -0.24 3.99 7.64 -1.26 -4.99 113.62 116.33 2ain n SER 81 Ca 0.17 -0.56 -0.00 0.00 1.01 0.00 0.00 58.87 59.48 2ain n SER 81 Cb 0.62 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.93 2ain n SER 81 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2ain h SER 82 N 0.00 0.50 -3.70 6.43 0.87 -1.97 -3.42 113.55 112.27 2ain h SER 82 Ca 0.00 0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 60.11 2ain h SER 82 Cb 0.00 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2ain h SER 82 CO 0.00 0.31 0.17 -0.69 -0.53 0.00 0.00 176.83 176.09 2ain s VAL 83 N -6.08 4.50 -0.08 2.23 1.01 -1.26 -0.06 120.40 120.66 2ain s VAL 83 Ca -0.13 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2ain s VAL 83 Cb 0.17 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2ain s VAL 83 CO 0.76 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 175.14 2ain s VAL 84 N -1.68 1.16 -0.52 2.92 1.01 0.89 -4.86 120.40 119.32 2ain s VAL 84 Ca 0.48 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2ain s VAL 84 Cb -0.15 -1.09 0.16 0.00 0.00 0.00 0.00 36.38 35.29 2ain s VAL 84 CO 0.20 0.37 0.36 -0.89 0.00 0.00 0.00 175.10 175.14 2ain s THR 85 N 0.98 1.57 -0.28 3.92 2.01 -1.25 -1.36 115.64 121.23 2ain s THR 85 Ca -0.08 -3.17 -0.17 0.00 0.31 0.00 0.00 61.69 58.58 2ain s THR 85 Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 2ain s THR 85 CO -0.00 -1.04 0.47 -0.76 -0.69 0.00 0.00 174.62 172.60 2ain s LEU 86 N -0.35 4.12 -0.38 4.42 1.43 -1.21 -0.45 118.68 126.26 2ain s LEU 86 Ca 0.25 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.43 2ain s LEU 86 Cb -0.09 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.57 2ain s LEU 86 CO -0.12 -0.30 0.83 -0.70 0.23 0.00 0.00 176.35 176.29 2ain s GLU 87 N 2.26 3.74 0.12 1.70 2.12 0.75 -2.25 118.70 127.14 2ain s GLU 87 Ca 0.19 0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.95 2ain s GLU 87 Cb -0.16 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 2ain s GLU 87 CO 0.10 -0.92 -0.14 0.54 -0.54 0.00 0.00 175.26 174.31 2ain s VAL 88 N 3.26 3.09 0.26 3.70 0.11 0.20 -1.34 120.40 129.67 2ain s VAL 88 Ca 0.34 -1.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.02 2ain s VAL 88 Cb -0.13 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2ain s VAL 88 CO 0.18 0.08 0.20 0.00 -3.33 0.00 0.00 175.10 172.23 2ain s ALA 89 N -1.24 3.60 -0.36 1.54 0.00 0.49 -0.55 121.76 125.23 2ain s ALA 89 Ca 0.20 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2ain s ALA 89 Cb -0.11 -1.28 0.09 0.00 0.00 0.00 0.00 23.12 21.82 2ain s ALA 89 CO 0.12 0.23 0.11 0.15 0.00 0.00 0.00 175.76 176.38 2ain s LYS 90 N -3.85 2.11 0.89 0.00 -0.14 -0.66 -4.22 119.74 113.88 2ain s LYS 90 Ca 0.33 -1.61 -0.12 0.00 -1.36 0.00 0.00 55.97 53.22 2ain s LYS 90 Cb -0.08 -3.39 0.18 0.00 -1.68 0.00 0.00 37.83 32.86 2ain s LYS 90 CO 0.25 -0.89 1.23 -0.65 -0.76 0.00 0.00 175.35 174.54 2ain s GLN 91 N 1.16 0.95 0.00 1.68 -0.21 -1.26 -4.30 119.66 117.68 2ain s GLN 91 Ca 0.03 -0.59 0.27 0.00 0.02 0.00 0.00 55.36 55.10 2ain s GLN 91 Cb -0.21 -1.98 0.86 0.00 1.00 0.00 0.00 33.01 32.68 2ain s GLN 91 CO -0.03 -2.14 1.64 0.41 -2.12 0.00 0.00 175.29 173.05 2ain n GLY 92 N -3.51 0.06 0.00 3.09 0.00 -1.26 -5.12 105.19 98.46 2ain n GLY 92 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32