#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 1.92 -4.12 2.12 3.00 -1.26 -4.88 118.16 114.93 2ain n LYS 2 Ca 0.00 -2.62 -0.15 0.00 -0.00 0.00 0.00 58.31 55.54 2ain n LYS 2 Cb 0.00 -3.67 -0.13 0.00 0.00 0.00 0.00 35.03 31.23 2ain n LYS 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2ain s GLU 3 N 5.99 0.53 1.19 1.64 0.41 -1.26 -5.16 118.70 122.04 2ain s GLU 3 Ca 0.65 -0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 54.46 2ain s GLU 3 Cb 0.01 -0.40 0.30 0.00 -1.78 0.00 0.00 34.13 32.27 2ain s GLU 3 CO 0.12 0.09 0.69 -2.30 -0.49 0.00 0.00 175.26 173.37 2ain n PRO 4 N 2.02 -4.11 -3.78 0.39 -0.02 -1.26 -5.02 135.00 123.23 2ain n PRO 4 Ca -0.19 -1.16 -0.30 0.00 -2.02 0.00 0.00 63.50 59.84 2ain n PRO 4 Cb 0.56 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 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 -4.57 1.00 -0.16 -0.52 2.12 -1.22 -4.97 118.70 110.38 2ain s GLU 5 Ca 0.53 -1.47 -0.21 0.00 0.36 0.00 0.00 54.97 54.18 2ain s GLU 5 Cb -0.09 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 2ain s GLU 5 CO 0.44 -1.03 0.63 0.42 -0.54 0.00 0.00 175.26 175.19 2ain s ILE 6 N 1.14 5.04 -0.01 -3.70 1.09 -1.26 -0.59 121.20 122.92 2ain s ILE 6 Ca 0.12 1.23 -0.02 0.00 -1.10 0.00 0.00 60.65 60.88 2ain s ILE 6 Cb -0.20 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.25 2ain s ILE 6 CO -0.15 0.17 0.05 0.27 -0.10 0.00 0.00 174.94 175.18 2ain s ILE 7 N 1.49 0.03 -0.32 2.92 -4.36 -0.30 -5.01 121.20 115.65 2ain s ILE 7 Ca 0.31 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.34 2ain s ILE 7 Cb -0.16 -0.16 -0.03 0.00 1.25 0.00 0.00 42.46 43.37 2ain s ILE 7 CO 0.12 -0.13 0.24 -0.89 0.24 0.00 0.00 174.94 174.52 2ain s THR 8 N -0.38 5.28 0.04 8.37 2.01 -1.26 -1.76 115.64 127.94 2ain s THR 8 Ca -0.04 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2ain s THR 8 Cb -0.03 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2ain s THR 8 CO 0.00 0.05 -0.07 0.68 -0.69 0.00 0.00 174.62 174.60 2ain s VAL 9 N 1.76 3.61 -0.12 3.82 -7.23 0.17 -4.95 120.40 117.47 2ain s VAL 9 Ca 0.07 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 2ain s VAL 9 Cb -0.17 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2ain s VAL 9 CO 0.11 0.28 -0.23 -0.89 -0.31 0.00 0.00 175.10 174.06 2ain s THR 10 N -1.10 2.07 0.21 5.32 2.01 -1.26 0.02 115.64 122.91 2ain s THR 10 Ca 0.19 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2ain s THR 10 Cb -0.11 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 2ain s THR 10 CO 0.11 0.56 0.02 -0.76 -0.69 0.00 0.00 174.62 173.85 2ain s LEU 11 N 0.56 2.03 0.52 4.42 1.43 0.22 -4.95 118.68 122.90 2ain s LEU 11 Ca -0.13 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 51.79 2ain s LEU 11 Cb -0.17 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 45.96 2ain s LEU 11 CO 0.04 -0.59 0.38 -0.54 0.23 0.00 0.00 176.35 175.87 2ain s LYS 12 N -3.92 2.29 -0.68 1.70 1.02 -1.26 -0.13 119.74 118.76 2ain s LYS 12 Ca 0.29 -1.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.25 2ain s LYS 12 Cb 0.06 -2.12 0.18 0.00 -0.52 0.00 0.00 37.83 35.43 2ain s LYS 12 CO 0.08 -0.52 0.55 0.15 -0.92 0.00 0.00 175.35 174.69 2ain s LYS 13 N -4.23 2.97 -0.01 1.68 1.02 -1.07 -4.80 119.74 115.30 2ain s LYS 13 Ca 0.36 -2.35 -0.21 0.00 0.02 0.00 0.00 55.97 53.79 2ain s LYS 13 Cb -0.02 -4.05 -0.23 0.00 -0.52 0.00 0.00 37.83 33.01 2ain s LYS 13 CO 0.22 -1.23 1.09 1.96 -0.92 0.00 0.00 175.35 176.48 2ain h GLN 14 N 7.62 0.33 0.00 1.68 7.50 -1.95 -3.43 115.11 126.87 2ain h GLN 14 Ca -0.01 -0.34 -0.14 0.00 0.50 0.00 0.00 58.65 58.66 2ain h GLN 14 Cb 1.01 0.09 -0.11 0.00 0.05 0.00 0.00 27.48 28.52 2ain h GLN 14 CO 0.76 1.02 -0.15 -1.71 -1.50 0.00 0.00 178.83 177.26 2ain n ASN 15 N -4.33 -1.29 0.00 1.46 5.15 -1.26 -5.11 115.26 109.88 2ain n ASN 15 Ca -0.10 -1.96 0.00 0.00 -0.60 0.00 0.00 54.58 51.92 2ain n ASN 15 Cb 0.60 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.59 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 -0.78 0.12 0.31 8.20 0.00 -1.26 -4.81 105.19 106.98 2ain n GLY 16 Ca -0.12 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 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 1.08 -5.29 1.61 2.86 -1.95 -3.05 114.93 110.19 2ain h MET 17 Ca 0.00 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2ain h MET 17 Cb 0.00 -0.19 0.03 0.00 0.06 0.00 0.00 31.60 31.50 2ain h MET 17 CO 0.00 0.84 -0.14 0.41 1.06 0.00 0.00 176.91 179.08 2ain n GLY 18 N -0.98 -1.18 3.78 8.32 0.00 -1.26 -3.23 105.19 110.64 2ain n GLY 18 Ca 0.06 0.46 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.16 -0.30 0.17 0.99 0.05 -1.26 0.75 118.68 114.92 2ain s LEU 19 Ca 0.08 -0.49 0.09 0.00 0.05 0.00 0.00 54.13 53.86 2ain s LEU 19 Cb -0.01 2.64 -0.04 0.00 -2.05 0.00 0.00 46.19 46.73 2ain s LEU 19 CO 0.72 -1.24 -0.15 -0.44 -0.55 0.00 0.00 176.35 174.69 2ain s SER 20 N -2.89 3.97 0.31 1.48 0.01 -0.15 -4.89 113.70 111.54 2ain s SER 20 Ca 0.10 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.78 2ain s SER 20 Cb -0.05 -0.57 -0.06 0.00 0.21 0.00 0.00 66.02 65.55 2ain s SER 20 CO 0.03 0.12 -0.05 0.27 0.41 0.00 0.00 173.24 174.02 2ain s ILE 21 N -1.57 1.77 -0.14 1.44 -5.25 -1.26 -0.51 121.20 115.68 2ain s ILE 21 Ca 0.22 -2.13 -0.15 0.00 -0.99 0.00 0.00 60.65 57.61 2ain s ILE 21 Cb -0.09 -2.56 0.04 0.00 2.95 0.00 0.00 42.46 42.80 2ain s ILE 21 CO 0.13 -0.24 0.41 -0.69 -1.79 0.00 0.00 174.94 172.76 2ain s VAL 22 N -2.92 0.00 0.44 8.37 1.01 0.65 -4.40 120.40 123.56 2ain s VAL 22 Ca 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 2ain s VAL 22 Cb 0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2ain s VAL 22 CO 0.14 -0.02 0.75 0.00 0.00 0.00 0.00 175.10 175.97 2ain s ALA 23 N 0.09 3.42 -0.21 5.51 0.00 -1.26 0.56 121.76 129.87 2ain s ALA 23 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 2ain s ALA 23 Cb -0.03 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.59 2ain s ALA 23 CO 0.01 -0.22 0.54 0.00 0.00 0.00 0.00 175.76 176.08 2ain s ALA 24 N -2.60 -1.40 0.44 0.00 0.00 -1.08 -4.90 121.76 112.22 2ain s ALA 24 Ca 0.47 1.82 0.04 0.00 0.00 0.00 0.00 51.96 54.29 2ain s ALA 24 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2ain s ALA 24 CO 0.41 -0.30 0.13 0.21 0.00 0.00 0.00 175.76 176.20 2ain s LYS 25 N 1.16 2.04 0.00 0.00 2.20 -1.26 -2.71 119.74 121.17 2ain s LYS 25 Ca -0.07 -2.27 0.00 0.00 -0.36 0.00 0.00 55.97 53.27 2ain s LYS 25 Cb -0.06 -0.69 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 2ain s LYS 25 CO -0.11 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 2ain n GLY 26 N -1.02 1.92 3.75 5.54 0.00 -1.26 -5.11 105.19 109.02 2ain n GLY 26 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 3.48 -1.42 4.61 0.00 -1.26 -4.47 121.76 121.70 2ain s ALA 27 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 2ain s ALA 27 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2ain s ALA 27 CO 0.00 0.71 0.73 0.41 0.00 0.00 0.00 175.76 177.61 2ain n GLY 28 N 0.84 -0.45 2.74 0.00 0.00 -1.26 -4.98 105.19 102.07 2ain n GLY 28 Ca -0.11 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.80 0.71 -0.13 1.61 2.00 -1.26 -4.99 119.66 111.79 2ain s GLN 29 Ca 0.36 -0.66 0.07 0.00 -2.00 0.00 0.00 55.36 53.13 2ain s GLN 29 Cb -0.16 -2.05 0.42 0.00 0.80 0.00 0.00 33.01 32.02 2ain s GLN 29 CO 0.45 -0.77 1.17 -3.47 -0.50 0.00 0.00 175.29 172.17 2ain n ASP 30 N 4.98 3.43 -0.92 6.67 -0.08 -1.26 -4.82 116.55 124.55 2ain n ASP 30 Ca -0.07 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 2ain n ASP 30 Cb 0.45 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.31 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ain n LYS 31 N 0.27 0.00 -3.90 -0.67 4.76 -1.26 -4.84 118.16 112.52 2ain n LYS 31 Ca 0.16 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.43 2ain n LYS 31 Cb 0.77 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.80 2ain n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ain s LEU 32 N 0.00 1.24 0.27 -0.35 1.43 -1.26 -4.78 118.68 115.23 2ain s LEU 32 Ca 0.00 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2ain s LEU 32 Cb 0.00 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.98 2ain s LEU 32 CO 0.00 -0.09 0.60 -0.83 0.23 0.00 0.00 176.35 176.26 2ain s GLY 33 N 0.91 2.20 -0.36 -3.19 0.00 -1.10 -3.36 107.32 102.42 2ain s GLY 33 Ca -0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.29 2ain s GLY 33 CO -0.02 -0.10 0.17 -0.42 0.00 0.00 0.00 173.10 172.73 2ain s ILE 34 N -1.93 4.27 0.49 0.90 -1.09 -1.25 -2.64 121.20 119.95 2ain s ILE 34 Ca 0.48 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 2ain s ILE 34 Cb -0.11 -3.39 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2ain s ILE 34 CO 0.23 -0.20 0.56 -0.31 -1.23 0.00 0.00 174.94 173.98 2ain s TYR 35 N 1.50 2.15 -0.30 3.97 1.51 0.19 0.10 117.35 126.47 2ain s TYR 35 Ca 0.01 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.42 2ain s TYR 35 Cb -0.19 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 2ain s TYR 35 CO 0.05 -0.58 0.04 0.08 -1.11 0.00 0.00 175.55 174.03 2ain s VAL 36 N -2.55 3.42 0.09 0.71 1.01 -0.26 -0.25 120.40 122.56 2ain s VAL 36 Ca 0.52 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2ain s VAL 36 Cb -0.06 -2.87 -0.14 0.00 0.00 0.00 0.00 36.38 33.32 2ain s VAL 36 CO 0.31 -0.02 1.73 0.50 0.00 0.00 0.00 175.10 177.62 2ain h LYS 37 N 8.12 0.05 -1.17 2.72 3.64 -1.01 0.28 116.57 129.20 2ain h LYS 37 Ca -0.26 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.30 2ain h LYS 37 Cb 1.09 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 32.58 2ain h LYS 37 CO 0.58 0.05 0.69 -1.54 -2.27 0.00 0.00 179.45 176.95 2ain s SER 38 N -5.24 -0.16 -0.08 4.20 1.04 -1.22 -4.31 113.70 107.93 2ain s SER 38 Ca -0.13 0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 2ain s SER 38 Cb 0.06 0.95 -0.02 0.00 0.10 0.00 0.00 66.02 67.11 2ain s SER 38 CO 0.67 -0.04 0.88 -0.69 0.98 0.00 0.00 173.24 175.03 2ain s VAL 39 N 0.96 4.90 -0.06 5.02 1.01 -1.26 -0.98 120.40 129.99 2ain s VAL 39 Ca -0.06 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 2ain s VAL 39 Cb -0.03 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2ain s VAL 39 CO -0.11 0.11 0.99 -0.69 0.00 0.00 0.00 175.10 175.40 2ain s VAL 40 N 1.49 4.83 0.17 2.92 1.01 0.23 -4.94 120.40 126.09 2ain s VAL 40 Ca 0.44 2.05 -0.32 0.00 0.00 0.00 0.00 61.98 64.15 2ain s VAL 40 Cb -0.18 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 2ain s VAL 40 CO 0.19 0.08 1.71 -0.75 0.00 0.00 0.00 175.10 176.33 2ain s LYS 41 N 1.53 4.15 0.00 2.72 2.47 -1.26 -2.74 119.74 126.61 2ain s LYS 41 Ca 0.50 2.53 0.00 0.00 -1.56 0.00 0.00 55.97 57.44 2ain s LYS 41 Cb -0.20 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.92 2ain s LYS 41 CO 0.23 -0.74 0.00 0.41 0.16 0.00 0.00 175.35 175.40 2ain n GLY 42 N 4.00 2.36 0.00 5.54 0.00 -1.26 -5.10 105.19 110.73 2ain n GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.24 -1.90 0.11 -0.02 0.00 -1.11 -4.91 105.19 97.12 2ain n GLY 43 Ca 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 1.26 0.08 4.61 0.00 -1.15 -3.82 120.51 118.50 2ain n ALA 44 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 2ain n ALA 44 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 0.57 0.35 -0.12 0.00 0.00 -1.88 -3.13 119.26 115.05 2ain h ALA 45 Ca -0.39 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 53.71 2ain h ALA 45 Cb 2.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2ain h ALA 45 CO 0.06 0.94 -0.05 0.22 0.00 0.00 0.00 179.25 180.43 2ain h ASP 46 N 0.12 0.25 -0.76 0.00 1.82 -1.82 -2.61 116.42 113.41 2ain h ASP 46 Ca -0.07 -0.39 -0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2ain h ASP 46 Cb 1.68 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 41.58 2ain h ASP 46 CO 0.16 0.59 0.47 0.58 -1.61 0.00 0.00 179.24 179.43 2ain h VAL 47 N -0.09 1.21 -0.49 2.25 2.07 -1.68 -2.36 116.25 117.16 2ain h VAL 47 Ca 0.03 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2ain h VAL 47 Cb 0.49 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2ain h VAL 47 CO 0.02 0.21 0.20 -0.78 0.02 0.00 0.00 177.57 177.23 2ain h ASP 48 N 1.04 0.64 -4.40 0.57 3.58 -1.54 -3.47 116.42 112.84 2ain h ASP 48 Ca 0.27 -0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.40 2ain h ASP 48 Cb -0.06 -0.16 0.11 0.00 1.72 0.00 0.00 39.33 40.93 2ain h ASP 48 CO -0.05 0.58 -0.49 0.61 -2.88 0.00 0.00 179.24 177.00 2ain n GLY 49 N -1.12 -0.09 0.11 -0.78 0.00 -0.89 -4.95 105.19 97.47 2ain n GLY 49 Ca 0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.35 0.68 -4.13 1.61 5.12 -1.26 -4.98 116.66 110.35 2ain n ARG 50 Ca -0.10 0.11 -0.15 0.00 -1.93 0.00 0.00 57.85 55.78 2ain n ARG 50 Cb 0.58 -1.57 -0.12 0.00 -1.16 0.00 0.00 32.46 30.18 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 -6.05 2.20 0.00 0.55 0.05 -1.26 -5.10 118.68 109.07 2ain s LEU 51 Ca -0.19 -0.46 0.00 0.00 0.05 0.00 0.00 54.13 53.53 2ain s LEU 51 Cb 0.07 -0.27 0.00 0.00 -2.05 0.00 0.00 46.19 43.94 2ain s LEU 51 CO 0.75 -0.11 0.00 0.00 -0.55 0.00 0.00 176.35 176.44 2ain n ALA 52 N 1.77 0.00 -1.78 1.48 0.00 -1.26 -4.86 120.51 115.86 2ain n ALA 52 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 2ain n ALA 52 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.00 3.01 -0.41 0.00 0.00 -1.26 -3.96 121.76 117.14 2ain s ALA 53 Ca 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2ain s ALA 53 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2ain s ALA 53 CO 0.00 -0.38 0.35 0.41 0.00 0.00 0.00 175.76 176.14 2ain n GLY 54 N 0.28 0.26 3.33 0.00 0.00 1.00 -5.02 105.19 105.04 2ain n GLY 54 Ca 0.06 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.35 3.79 0.33 1.61 1.01 -1.25 -4.86 116.67 113.96 2ain s ASP 55 Ca 0.06 -0.38 -0.24 0.00 0.71 0.00 0.00 52.55 52.69 2ain s ASP 55 Cb -0.02 -1.56 -0.10 0.00 1.01 0.00 0.00 42.92 42.24 2ain s ASP 55 CO 0.24 0.16 0.92 -1.58 0.21 0.00 0.00 175.17 175.13 2ain s GLN 56 N 0.35 4.48 -0.19 8.23 -0.44 -1.26 -1.10 119.66 129.72 2ain s GLN 56 Ca -0.13 1.24 -0.01 0.00 -2.50 0.00 0.00 55.36 53.96 2ain s GLN 56 Cb -0.16 -2.69 0.01 0.00 -1.64 0.00 0.00 33.01 28.53 2ain s GLN 56 CO 0.07 0.23 -0.15 -0.51 0.50 0.00 0.00 175.29 175.43 2ain s LEU 57 N -2.27 2.41 -0.14 3.68 1.43 0.29 -2.62 118.68 121.46 2ain s LEU 57 Ca 0.52 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2ain s LEU 57 Cb -0.16 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2ain s LEU 57 CO 0.21 0.01 -0.03 0.25 0.23 0.00 0.00 176.35 177.03 2ain h LEU 58 N 7.88 0.00 -8.84 1.79 6.46 -1.68 -3.30 115.31 117.61 2ain h LEU 58 Ca -0.42 -0.11 -0.38 0.00 -0.12 0.00 0.00 57.88 56.85 2ain h LEU 58 Cb 1.15 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.94 2ain h LEU 58 CO 0.62 0.77 -0.68 -0.94 -0.62 0.00 0.00 178.44 177.59 2ain s SER 59 N -5.83 1.90 -0.11 1.25 1.04 -1.26 -4.10 113.70 106.60 2ain s SER 59 Ca -0.12 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.12 2ain s SER 59 Cb 0.02 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.17 2ain s SER 59 CO 0.22 -0.44 0.07 -0.69 0.98 0.00 0.00 173.24 173.38 2ain s VAL 60 N -3.36 -0.07 -1.98 5.02 1.01 -0.97 -2.65 120.40 117.40 2ain s VAL 60 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2ain s VAL 60 Cb 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2ain s VAL 60 CO 0.07 -0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.45 2ain n ASP 61 N 5.28 -5.54 0.00 3.32 -0.08 0.17 -1.56 116.55 118.14 2ain n ASP 61 Ca -0.05 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2ain n ASP 61 Cb 0.49 -4.77 0.00 0.00 2.34 0.00 0.00 41.12 39.18 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ain n GLY 62 N -0.64 0.84 3.41 0.27 0.00 -1.26 -4.91 105.19 102.89 2ain n GLY 62 Ca -0.22 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.90 1.50 -0.34 1.61 0.52 -0.60 -5.12 118.95 113.62 2ain s ARG 63 Ca 0.00 -1.68 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 2ain s ARG 63 Cb 0.00 -1.39 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 2ain s ARG 63 CO 0.00 0.23 0.21 -1.12 0.02 0.00 0.00 175.30 174.64 2ain s SER 64 N -3.41 5.85 -0.30 0.23 0.01 -1.26 -2.29 113.70 112.54 2ain s SER 64 Ca 0.26 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 57.05 2ain s SER 64 Cb -0.02 -2.08 0.48 0.00 0.21 0.00 0.00 66.02 64.61 2ain s SER 64 CO 0.11 -0.25 1.41 0.18 0.41 0.00 0.00 173.24 175.09 2ain n LEU 65 N 5.06 4.15 -4.11 2.44 4.77 -1.26 -4.93 117.00 123.13 2ain n LEU 65 Ca -0.13 -3.98 -0.35 0.00 -0.03 0.00 0.00 56.01 51.52 2ain n LEU 65 Cb 0.49 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2ain n LEU 65 CO 0.36 1.43 -0.21 -0.69 -1.33 0.00 0.00 177.39 176.95 2ain s VAL 66 N -3.52 3.12 0.00 4.08 1.01 -1.26 -4.57 120.40 119.25 2ain s VAL 66 Ca 0.45 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.39 2ain s VAL 66 Cb 0.41 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2ain s VAL 66 CO -0.01 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2ain n GLY 67 N 4.55 2.81 3.93 4.51 0.00 -1.21 -4.59 105.19 115.19 2ain n GLY 67 Ca -0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 3.00 0.79 0.99 1.43 -1.26 -4.50 118.68 119.12 2ain s LEU 68 Ca 0.00 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 2ain s LEU 68 Cb 0.00 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 43.12 2ain s LEU 68 CO 0.00 -1.39 1.15 -0.55 0.23 0.00 0.00 176.35 175.79 2ain s SER 69 N -4.45 4.00 0.51 2.29 0.15 -1.26 -4.67 113.70 110.27 2ain s SER 69 Ca 0.58 2.12 0.27 0.00 0.70 0.00 0.00 55.95 59.62 2ain s SER 69 Cb -0.11 -2.56 1.37 0.00 -1.71 0.00 0.00 66.02 63.02 2ain s SER 69 CO 0.44 -2.38 1.91 -0.61 1.20 0.00 0.00 173.24 173.80 2ain h GLN 70 N -0.95 0.09 -0.00 5.44 5.75 -1.96 -1.26 115.11 122.21 2ain h GLN 70 Ca -0.45 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 2ain h GLN 70 Cb 1.26 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 2ain h GLN 70 CO 0.48 0.06 -0.15 1.49 -2.65 0.00 0.00 178.83 178.06 2ain h GLU 71 N 0.09 -0.24 -0.69 1.69 4.81 -1.98 0.50 114.58 118.76 2ain h GLU 71 Ca 0.39 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2ain h GLU 71 Cb 1.41 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.80 2ain h GLU 71 CO -0.04 -0.16 0.45 0.00 -0.73 0.00 0.00 179.01 178.53 2ain h ARG 72 N -0.25 0.90 0.55 1.92 2.47 -1.58 0.15 114.38 118.54 2ain h ARG 72 Ca 0.05 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2ain h ARG 72 Cb 0.31 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2ain h ARG 72 CO -0.15 0.59 -0.26 0.00 0.56 0.00 0.00 179.97 180.71 2ain h ALA 73 N 1.26 -0.83 -0.78 0.04 0.00 -1.25 0.86 119.26 118.57 2ain h ALA 73 Ca 0.26 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2ain h ALA 73 Cb -0.09 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2ain h ALA 73 CO -0.06 -0.77 0.51 0.00 0.00 0.00 0.00 179.25 178.93 2ain h ALA 74 N -1.34 1.83 -0.03 0.00 0.00 -0.03 -0.78 119.26 118.90 2ain h ALA 74 Ca -0.07 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2ain h ALA 74 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ain h ALA 74 CO 0.12 -0.01 -0.82 1.49 0.00 0.00 0.00 179.25 180.04 2ain h GLU 75 N 0.66 0.35 -0.26 0.00 4.57 -0.72 -2.98 114.58 116.20 2ain h GLU 75 Ca 0.37 -0.33 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2ain h GLU 75 Cb 0.53 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2ain h GLU 75 CO -0.14 1.00 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.44 2ain h LEU 76 N 0.22 0.60 0.24 1.64 3.38 0.37 -1.70 115.31 120.05 2ain h LEU 76 Ca -0.05 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2ain h LEU 76 Cb 1.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ain h LEU 76 CO 0.14 0.91 -0.12 0.24 0.09 0.00 0.00 178.44 179.69 2ain h MET 77 N 0.30 -0.32 -0.58 1.13 2.86 -1.25 -2.75 114.93 114.31 2ain h MET 77 Ca 0.05 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2ain h MET 77 Cb 0.70 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 2ain h MET 77 CO 0.05 -0.21 0.24 0.00 1.06 0.00 0.00 176.91 178.05 2ain h THR 78 N -0.33 1.20 -0.81 2.22 1.03 -1.58 -3.07 112.91 111.57 2ain h THR 78 Ca -0.03 -0.63 -0.54 0.00 -0.01 0.00 0.00 66.41 65.21 2ain h THR 78 Cb 0.26 0.50 -0.12 0.00 -1.07 0.00 0.00 68.15 67.72 2ain h THR 78 CO 0.04 0.25 1.20 0.54 -0.01 0.00 0.00 175.52 177.54 2ain n ARG 79 N -4.33 3.11 -3.77 0.00 1.74 -0.64 -4.92 116.66 107.85 2ain n ARG 79 Ca 0.05 -2.44 -0.24 0.00 -0.77 0.00 0.00 57.85 54.45 2ain n ARG 79 Cb 0.16 -2.33 -0.01 0.00 -1.02 0.00 0.00 32.46 29.26 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 -0.96 1.94 0.53 0.55 -4.23 -1.16 -4.89 115.64 107.42 2ain s THR 80 Ca 0.60 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.58 2ain s THR 80 Cb 0.29 -2.38 0.13 0.00 1.34 0.00 0.00 72.50 71.88 2ain s THR 80 CO -0.13 0.00 0.55 -1.54 -0.54 0.00 0.00 174.62 172.96 2ain n SER 81 N -1.72 -0.94 -0.22 3.99 3.41 -1.26 -4.89 113.62 111.99 2ain n SER 81 Ca 0.01 -0.96 0.20 0.00 -0.26 0.00 0.00 58.87 57.85 2ain n SER 81 Cb 0.64 -0.47 0.54 0.00 -0.26 0.00 0.00 64.21 64.65 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ain h SER 82 N -1.44 0.36 -3.14 4.04 0.02 -1.99 -3.41 113.55 107.98 2ain h SER 82 Ca -0.19 0.04 -0.63 0.00 -0.84 0.00 0.00 61.79 60.16 2ain h SER 82 Cb 0.57 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.98 2ain h SER 82 CO 0.13 0.15 -0.63 -0.69 -1.14 0.00 0.00 176.83 174.65 2ain s VAL 83 N -5.37 4.18 -0.08 2.27 1.01 -1.26 -2.59 120.40 118.56 2ain s VAL 83 Ca -0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2ain s VAL 83 Cb 0.22 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2ain s VAL 83 CO 0.78 0.05 0.04 -0.69 0.00 0.00 0.00 175.10 175.28 2ain s VAL 84 N -1.46 0.15 -0.64 2.92 1.01 0.82 -4.97 120.40 118.23 2ain s VAL 84 Ca 0.28 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 2ain s VAL 84 Cb -0.11 -0.42 0.17 0.00 0.00 0.00 0.00 36.38 36.01 2ain s VAL 84 CO 0.20 0.15 0.54 -0.89 0.00 0.00 0.00 175.10 175.10 2ain s THR 85 N 2.06 4.76 -0.12 3.92 2.01 -1.26 -0.61 115.64 126.40 2ain s THR 85 Ca 0.04 -2.25 -0.09 0.00 0.31 0.00 0.00 61.69 59.71 2ain s THR 85 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2ain s THR 85 CO -0.05 -0.90 0.18 -0.76 -0.69 0.00 0.00 174.62 172.40 2ain s LEU 86 N 0.65 4.37 -0.40 4.42 1.02 0.10 0.43 118.68 129.28 2ain s LEU 86 Ca 0.12 0.51 -0.01 0.00 0.02 0.00 0.00 54.13 54.77 2ain s LEU 86 Cb -0.20 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 43.97 2ain s LEU 86 CO -0.04 0.36 0.17 -0.70 0.02 0.00 0.00 176.35 176.16 2ain s GLU 87 N -0.81 1.88 0.49 1.70 2.12 -1.09 0.46 118.70 123.45 2ain s GLU 87 Ca 0.15 -1.86 0.08 0.00 0.36 0.00 0.00 54.97 53.71 2ain s GLU 87 Cb -0.13 -3.49 0.04 0.00 0.26 0.00 0.00 34.13 30.81 2ain s GLU 87 CO 0.05 -1.04 0.60 0.14 -0.54 0.00 0.00 175.26 174.47 2ain s VAL 88 N 1.05 2.52 -0.12 3.70 -7.23 -0.73 -1.96 120.40 117.62 2ain s VAL 88 Ca 0.09 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2ain s VAL 88 Cb -0.22 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.12 2ain s VAL 88 CO -0.05 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.59 2ain s ALA 89 N -2.52 1.77 -0.83 1.32 0.00 -1.08 -1.15 121.76 119.26 2ain s ALA 89 Ca 0.54 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 2ain s ALA 89 Cb -0.07 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2ain s ALA 89 CO 0.33 -0.19 1.37 0.15 0.00 0.00 0.00 175.76 177.42 2ain s LYS 90 N 1.18 3.29 0.15 0.00 3.01 0.25 -4.27 119.74 123.34 2ain s LYS 90 Ca -0.02 -0.50 0.02 0.00 -1.01 0.00 0.00 55.97 54.46 2ain s LYS 90 Cb -0.14 -4.60 -0.01 0.00 -1.01 0.00 0.00 37.83 32.07 2ain s LYS 90 CO -0.05 -2.22 0.09 0.00 0.51 0.00 0.00 175.35 173.68 2ain n GLN 91 N 9.20 0.49 0.00 1.68 0.00 -1.26 -3.46 117.38 124.02 2ain n GLN 91 Ca 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 57.00 55.77 2ain n GLN 91 Cb 0.50 0.93 0.00 0.00 0.00 0.00 0.00 30.24 31.66 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 0.42 4.52 3.84 2.61 0.00 -1.26 -5.02 105.19 110.30 2ain n GLY 92 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32